smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C#N)cc(N2CCCN(Cc3ccccc3)CC2)n1	ZINC000324267052	231223782	/nfs/dbraw/zinc/22/37/82/231223782.db2.gz	KMQYKDTUCLUCNM-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CCN1CCCN(c2c(C#N)cnc3ccc(OC)cc32)CC1	ZINC000591908974	398351138	/nfs/dbraw/zinc/35/11/38/398351138.db2.gz	BODABDSDWBCWMY-UHFFFAOYSA-N	0	3	310.401	2.647	20	30		DFEDHN
C#CCN(CCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1	ZINC000065959908	398353061	/nfs/dbraw/zinc/35/30/61/398353061.db2.gz	SUWUEWPGGDOSHH-UHFFFAOYSA-N	0	3	309.413	2.734	20	30		DFEDHN
CCN(CCNC(=O)NC(C)(C)c1cccc(C#N)c1)C1CC1	ZINC000596237714	398364692	/nfs/dbraw/zinc/36/46/92/398364692.db2.gz	HIYXEVWTAMTCGS-UHFFFAOYSA-N	0	3	314.433	2.577	20	30		DFEDHN
CCn1ccnc1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000296572670	529579414	/nfs/dbraw/zinc/57/94/14/529579414.db2.gz	SZOZKAXVYHRTSI-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC[C@@H](C)C1	ZINC000578743506	398375895	/nfs/dbraw/zinc/37/58/95/398375895.db2.gz	HGCZTTLJFDXANE-HZPDHXFCSA-N	0	3	320.481	2.832	20	30		DFEDHN
CC[C@H](NC[C@H](O)CN(C)CCC#N)c1cccc(Cl)c1	ZINC000578859785	398376418	/nfs/dbraw/zinc/37/64/18/398376418.db2.gz	JGECLXMKMFOASE-HOTGVXAUSA-N	0	3	309.841	2.587	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2ccncc2C#N)C1	ZINC000592071388	398380237	/nfs/dbraw/zinc/38/02/37/398380237.db2.gz	IRGZPQKVZQSUHO-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
CN(C)c1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1	ZINC000579392163	398380358	/nfs/dbraw/zinc/38/03/58/398380358.db2.gz	UHLZDDYNNZCPDV-OAHLLOKOSA-N	0	3	323.400	2.561	20	30		DFEDHN
CCc1nnc(NC[C@@H]2CCN2C(C)(C)C)c(C#N)c1CC	ZINC000596308819	398382796	/nfs/dbraw/zinc/38/27/96/398382796.db2.gz	VZYYZJVLYLQEPP-LBPRGKRZSA-N	0	3	301.438	2.758	20	30		DFEDHN
COCCn1cc2c(n1)[C@H](NC1CCC(C)(C#N)CC1)CCC2	ZINC000580754934	398385171	/nfs/dbraw/zinc/38/51/71/398385171.db2.gz	YLJOWGHKGNHWRH-UPTPFMHGSA-N	0	3	316.449	2.969	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181331558	199282394	/nfs/dbraw/zinc/28/23/94/199282394.db2.gz	PTLIUWGJGQZUKS-RHSMWYFYSA-N	0	3	322.412	2.669	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1	ZINC000580769489	398385848	/nfs/dbraw/zinc/38/58/48/398385848.db2.gz	SAUXBHFVWXUBKL-SQNIBIBYSA-N	0	3	307.397	2.793	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H](C)C1	ZINC000681445447	545641228	/nfs/dbraw/zinc/64/12/28/545641228.db2.gz	SNLCHXCYEBIBLK-GUYCJALGSA-N	0	3	304.821	2.538	20	30		DFEDHN
CCc1nnc(N[C@@H]2CCN(C(C)(C)C)C2)c(C#N)c1CC	ZINC000596334513	398388255	/nfs/dbraw/zinc/38/82/55/398388255.db2.gz	ATXJGANURPXNLW-GFCCVEGCSA-N	0	3	301.438	2.758	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1CCCOC1	ZINC000592134945	398389179	/nfs/dbraw/zinc/38/91/79/398389179.db2.gz	VIZBOFGPBWISRN-DOTOQJQBSA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCn1c(CC)nnc1N1CCN(CC2CCCCC2)CC1	ZINC000581263000	398389222	/nfs/dbraw/zinc/38/92/22/398389222.db2.gz	NDETWEXSXFEPRA-UHFFFAOYSA-N	0	3	317.481	2.729	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CC[C@@H](c3cccnc3)C2)c1	ZINC000592140193	398390735	/nfs/dbraw/zinc/39/07/35/398390735.db2.gz	QCKLFYLBQHJBAX-QGZVFWFLSA-N	0	3	320.396	2.771	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@H]([C@H]2CCCC2(C)C)C1)C1CC1	ZINC000592154271	398393424	/nfs/dbraw/zinc/39/34/24/398393424.db2.gz	NYEXPGSRJCULQV-GMBSWORKSA-N	0	3	317.477	2.943	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)c1	ZINC000592156230	398393620	/nfs/dbraw/zinc/39/36/20/398393620.db2.gz	VELNXAHHPLHCHG-LJQANCHMSA-N	0	3	319.408	2.697	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)ccn1	ZINC000592165774	398395395	/nfs/dbraw/zinc/39/53/95/398395395.db2.gz	FOZNNJIQYVVHNA-VQTJNVASSA-N	0	3	321.424	2.911	20	30		DFEDHN
C=C(C)[C@H](NCCCCS(C)(=O)=O)c1ccc(F)c(F)c1	ZINC000681464579	545643743	/nfs/dbraw/zinc/64/37/43/545643743.db2.gz	FAEYLIIWTIKARQ-HNNXBMFYSA-N	0	3	317.401	2.996	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccccc2OC)C1	ZINC000066894414	398404469	/nfs/dbraw/zinc/40/44/69/398404469.db2.gz	YZLCIUDTMHTCAI-HZPDHXFCSA-N	0	3	316.445	2.640	20	30		DFEDHN
COc1ccc(C[C@H](C)CNC[C@@H](C#N)CCC#N)cc1OC	ZINC000584734682	398405464	/nfs/dbraw/zinc/40/54/64/398405464.db2.gz	GNSKMHVAADLDOY-GOEBONIOSA-N	0	3	315.417	2.916	20	30		DFEDHN
N#Cc1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1	ZINC000596422561	398408737	/nfs/dbraw/zinc/40/87/37/398408737.db2.gz	FETCSZZVAHQSCE-IBGZPJMESA-N	0	3	307.397	2.737	20	30		DFEDHN
Cc1nnc(N(C)CCCN(C)Cc2ccco2)c(C#N)c1C	ZINC000286661181	219110275	/nfs/dbraw/zinc/11/02/75/219110275.db2.gz	XBGCASXXDMQGPC-UHFFFAOYSA-N	0	3	313.405	2.516	20	30		DFEDHN
CN(CC1CN(C)C1)c1c(C#N)cnc2c(F)ccc(Cl)c21	ZINC000596453442	398416269	/nfs/dbraw/zinc/41/62/69/398416269.db2.gz	JQNRXACYLBGSMG-UHFFFAOYSA-N	0	3	318.783	2.897	20	30		DFEDHN
C[C@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)CO1	ZINC000592378222	398418135	/nfs/dbraw/zinc/41/81/35/398418135.db2.gz	AXXOMMOKWVWBBU-YOEHRIQHSA-N	0	3	310.401	2.731	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(C#N)c(F)c1	ZINC000592398891	398421912	/nfs/dbraw/zinc/42/19/12/398421912.db2.gz	WCHGWYWDARIPHD-SJKOYZFVSA-N	0	3	306.381	2.526	20	30		DFEDHN
CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@H]1CCN(C)C1	ZINC000596502649	398432285	/nfs/dbraw/zinc/43/22/85/398432285.db2.gz	HEIOVZBOLPBTCO-IRXDYDNUSA-N	0	3	314.433	2.767	20	30		DFEDHN
CCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@@H]1CCN(C)C1	ZINC000596502648	398432304	/nfs/dbraw/zinc/43/23/04/398432304.db2.gz	HEIOVZBOLPBTCO-IAGOWNOFSA-N	0	3	314.433	2.767	20	30		DFEDHN
CCc1ccc([C@H]2CNCCN2Cc2ccncc2C#N)cc1	ZINC000592489034	398432469	/nfs/dbraw/zinc/43/24/69/398432469.db2.gz	CIFQOLNHSRSILG-LJQANCHMSA-N	0	3	306.413	2.662	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccccn2)CC1	ZINC000592524200	398441761	/nfs/dbraw/zinc/44/17/61/398441761.db2.gz	YMNBFLRXTSUZNH-KRWDZBQOSA-N	0	3	314.433	2.579	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1	ZINC000585794425	398447759	/nfs/dbraw/zinc/44/77/59/398447759.db2.gz	UBGFLVAHBYBAEM-KOJWFEOWSA-N	0	3	324.428	2.558	20	30		DFEDHN
CN(CCOc1ccccc1)CCC(=O)Nc1ccc(C#N)cc1	ZINC000026222757	398450867	/nfs/dbraw/zinc/45/08/67/398450867.db2.gz	HZYMHGMRVFJGQS-UHFFFAOYSA-N	0	3	323.396	2.898	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1	ZINC000026156228	398451082	/nfs/dbraw/zinc/45/10/82/398451082.db2.gz	XQGKRUFXQGOZER-UHFFFAOYSA-N	0	3	305.381	2.945	20	30		DFEDHN
Cn1ncc2c1CC(C)(C)CN(CCOc1ccc(C#N)cc1)C2	ZINC000596599240	398457570	/nfs/dbraw/zinc/45/75/70/398457570.db2.gz	RVNCUMILGPOOFP-UHFFFAOYSA-N	0	3	324.428	2.755	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000596641843	398469429	/nfs/dbraw/zinc/46/94/29/398469429.db2.gz	XZBLHEXSCPBVSI-ZDUSSCGKSA-N	0	3	306.797	2.817	20	30		DFEDHN
C[C@H]1C[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000587985108	398473179	/nfs/dbraw/zinc/47/31/79/398473179.db2.gz	RLJOFYTVZAYTJL-CMPLNLGQSA-N	0	3	303.797	2.754	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000596657930	398473669	/nfs/dbraw/zinc/47/36/69/398473669.db2.gz	DLLHPYWBJYCFKU-HNNXBMFYSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C#N)c1	ZINC000181729297	199344913	/nfs/dbraw/zinc/34/49/13/199344913.db2.gz	NVIRFZKNKQIVLM-DNVCBOLYSA-N	0	3	321.424	2.908	20	30		DFEDHN
CN(C)C1(CNC(=O)CCCCCC#N)Cc2ccccc2C1	ZINC000588541261	398498935	/nfs/dbraw/zinc/49/89/35/398498935.db2.gz	VYCVEROHPCLBQK-UHFFFAOYSA-N	0	3	313.445	2.676	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000596781597	398500368	/nfs/dbraw/zinc/50/03/68/398500368.db2.gz	BEEAGIXUQNKYIQ-CYBMUJFWSA-N	0	3	304.369	2.692	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1	ZINC000068461925	398505593	/nfs/dbraw/zinc/50/55/93/398505593.db2.gz	NHBDUKFPLGYJSG-UHFFFAOYSA-N	0	3	323.440	2.746	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NC(=O)CCCCCC#N)cc1	ZINC000588750280	398505605	/nfs/dbraw/zinc/50/56/05/398505605.db2.gz	OUQUAQXXMXRFDO-KRWDZBQOSA-N	0	3	317.433	2.888	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)COc1cccc(F)c1C#N	ZINC000305318836	398505962	/nfs/dbraw/zinc/50/59/62/398505962.db2.gz	NPLKIQQVZJMYCA-HNNXBMFYSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1	ZINC000091048713	398506411	/nfs/dbraw/zinc/50/64/11/398506411.db2.gz	ZIQWZBTYAVWMTK-UHFFFAOYSA-N	0	3	324.428	2.592	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC2(F)F)cc1	ZINC000588784866	398508001	/nfs/dbraw/zinc/50/80/01/398508001.db2.gz	YMWZBHWUTYDEMI-ZIAGYGMSSA-N	0	3	303.312	2.545	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2CCN(C)CC2(C)C)c1C#N	ZINC000091084989	398509201	/nfs/dbraw/zinc/50/92/01/398509201.db2.gz	WRMKPKWUNHEVFK-UHFFFAOYSA-N	0	3	323.444	2.578	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596857378	398514940	/nfs/dbraw/zinc/51/49/40/398514940.db2.gz	LJEKELGGJNRJOC-OAHLLOKOSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596869555	398518658	/nfs/dbraw/zinc/51/86/58/398518658.db2.gz	SYTCBNBMSXTCRN-HOTGVXAUSA-N	0	3	318.465	2.586	20	30		DFEDHN
COC(=O)C[C@](C)(NCCCC(C)(C)C#N)c1ccncc1	ZINC000589162858	398531529	/nfs/dbraw/zinc/53/15/29/398531529.db2.gz	YBEITDWRGRORAK-KRWDZBQOSA-N	0	3	303.406	2.779	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC1(C)C	ZINC000596975769	398539336	/nfs/dbraw/zinc/53/93/36/398539336.db2.gz	VNQUJVAPQRDCNA-QGZVFWFLSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000318812645	398539468	/nfs/dbraw/zinc/53/94/68/398539468.db2.gz	IWIIBBANHRUHHH-GDBMZVCRSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@@H]1CCC[C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000318812660	398539850	/nfs/dbraw/zinc/53/98/50/398539850.db2.gz	IWIIBBANHRUHHH-ZBFHGGJFSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CC[C@H](C(F)(F)F)C2)c1	ZINC000319112401	398541853	/nfs/dbraw/zinc/54/18/53/398541853.db2.gz	GXTSEAYFIQYKAX-LBPRGKRZSA-N	0	3	311.307	2.771	20	30		DFEDHN
C[C@H](CC#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000596994473	398542176	/nfs/dbraw/zinc/54/21/76/398542176.db2.gz	AMXUFBUPXUXPMP-CQSZACIVSA-N	0	3	317.458	2.766	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC000272605544	210002990	/nfs/dbraw/zinc/00/29/90/210002990.db2.gz	QFTDVLCBUXPLED-LSDHHAIUSA-N	0	3	317.433	2.645	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@@H](O)COc1ccccc1C#N	ZINC000321621987	398553925	/nfs/dbraw/zinc/55/39/25/398553925.db2.gz	ULMIBQBOFROFPZ-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@@H](CC#N)C(=O)Nc1ccccc1NC1CCN(C)CC1	ZINC000597078673	398561912	/nfs/dbraw/zinc/56/19/12/398561912.db2.gz	QLYMFDPWWQZNQY-ZDUSSCGKSA-N	0	3	300.406	2.681	20	30		DFEDHN
CC(C)(NC[C@@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000323688683	398560834	/nfs/dbraw/zinc/56/08/34/398560834.db2.gz	RCXGKOPDKUJYDG-QGZVFWFLSA-N	0	3	310.397	2.823	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCC[C@H]1C#N	ZINC000597083583	398564080	/nfs/dbraw/zinc/56/40/80/398564080.db2.gz	SRBPHHUWQMAVKB-LJIGWXMPSA-N	0	3	302.422	2.653	20	30		DFEDHN
C[C@@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C#N)cc1	ZINC000325122309	398563196	/nfs/dbraw/zinc/56/31/96/398563196.db2.gz	XFJZELFLGXEEHR-ZIAGYGMSSA-N	0	3	318.384	2.946	20	30		DFEDHN
CCOCCOCCN(C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597110636	398567412	/nfs/dbraw/zinc/56/74/12/398567412.db2.gz	PCPLFJBBSFJXIJ-UHFFFAOYSA-N	0	3	302.418	2.727	20	30		DFEDHN
N#Cc1ccc(F)c(CN[C@@H](CC(N)=O)C2CCCCC2)c1	ZINC000182012989	199374648	/nfs/dbraw/zinc/37/46/48/199374648.db2.gz	IOVSVQDUFHFSAB-INIZCTEOSA-N	0	3	303.381	2.611	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000593216569	398572209	/nfs/dbraw/zinc/57/22/09/398572209.db2.gz	XZNJHHFKQVVIFQ-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2N[C@@H]2CCC[C@@H](C#N)C2)cn1	ZINC000597160392	398579193	/nfs/dbraw/zinc/57/91/93/398579193.db2.gz	BVKSNWQSKCMVCQ-DZUCGIPZSA-N	0	3	302.422	2.966	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN2CCC[C@@H](CC#N)C2)cn1	ZINC000597177963	398583389	/nfs/dbraw/zinc/58/33/89/398583389.db2.gz	SLCVFRZZEMYZGD-YQQAZPJKSA-N	0	3	302.422	2.606	20	30		DFEDHN
CN(C)CCOc1ccc(CN[C@H]2CCCC[C@H]2C#N)cc1	ZINC000597198245	398588327	/nfs/dbraw/zinc/58/83/27/398588327.db2.gz	MFSJRMPUDCXAFR-WMZOPIPTSA-N	0	3	301.434	2.799	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CN[C@@H]2CCCC[C@H]2C#N)cn1	ZINC000597196935	398587461	/nfs/dbraw/zinc/58/74/61/398587461.db2.gz	VHASUDZUJFEBEV-XJNFMUPTSA-N	0	3	302.422	2.560	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(CC(=O)NC3CCCC3)CC2)C1	ZINC000590155929	398601410	/nfs/dbraw/zinc/60/14/10/398601410.db2.gz	YXPLJDQJAHHWNG-NVXWUHKLSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1	ZINC000590186675	398604137	/nfs/dbraw/zinc/60/41/37/398604137.db2.gz	MUSXOKOXLLAMMX-KRWDZBQOSA-N	0	3	311.429	2.851	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C#N)c(OC)c1	ZINC000597243545	398604476	/nfs/dbraw/zinc/60/44/76/398604476.db2.gz	ZLDOPFHLHMLZHE-SJLPKXTDSA-N	0	3	316.401	2.778	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(O)(c3ccccc3)CC2)cc1	ZINC000141159775	186029296	/nfs/dbraw/zinc/02/92/96/186029296.db2.gz	GTWIFWYVJYRPOX-LJQANCHMSA-N	0	3	322.408	2.575	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000147732089	186041597	/nfs/dbraw/zinc/04/15/97/186041597.db2.gz	GBEDWZWEGURXSF-CJNGLKHVSA-N	0	3	306.431	2.500	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000593440371	398630388	/nfs/dbraw/zinc/63/03/88/398630388.db2.gz	KQTIVUPVMHZGDK-AWEZNQCLSA-N	0	3	305.447	2.626	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)CC2(C)C)cc1OC	ZINC000093457348	398638711	/nfs/dbraw/zinc/63/87/11/398638711.db2.gz	TVMRMOLTGBLSIN-UHFFFAOYSA-N	0	3	304.434	2.786	20	30		DFEDHN
CCN1CCC[C@@H]1CNc1c(C#N)cnc2c(F)ccc(F)c21	ZINC000590683426	398651373	/nfs/dbraw/zinc/65/13/73/398651373.db2.gz	RPPYTKLEOKMWHH-GFCCVEGCSA-N	0	3	316.355	2.703	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)Cc1ccon1)C(C)C	ZINC000265977803	186345583	/nfs/dbraw/zinc/34/55/83/186345583.db2.gz	VUGXSDLEVRXSAS-MRXNPFEDSA-N	0	3	320.437	2.515	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(C(F)F)cc2)C1	ZINC000368785118	398652292	/nfs/dbraw/zinc/65/22/92/398652292.db2.gz	TVLZBURTOCTEHU-HIFRSBDPSA-N	0	3	320.383	2.627	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000593534870	398652982	/nfs/dbraw/zinc/65/29/82/398652982.db2.gz	GJOVWGDRVGIQHD-JSGCOSHPSA-N	0	3	302.374	2.593	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC)cc1	ZINC000268752928	186378786	/nfs/dbraw/zinc/37/87/86/186378786.db2.gz	YKOULSCJGKBUPZ-OLZOCXBDSA-N	0	3	310.825	2.993	20	30		DFEDHN
CCNC(=O)C1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC1	ZINC000277250158	213394975	/nfs/dbraw/zinc/39/49/75/213394975.db2.gz	NXPIVKOZKFHXRZ-GFCCVEGCSA-N	0	3	303.381	2.654	20	30		DFEDHN
Cc1ccc(CCN2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000172415859	198094315	/nfs/dbraw/zinc/09/43/15/198094315.db2.gz	VQKCGCXAJOTVOH-UHFFFAOYSA-N	0	3	306.413	2.626	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)CCc3ccccc32)c(F)c1	ZINC000593652874	398665947	/nfs/dbraw/zinc/66/59/47/398665947.db2.gz	NZCFMJXQYDXXHY-IBGZPJMESA-N	0	3	310.372	2.663	20	30		DFEDHN
Cc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)nc1	ZINC000590754433	398667074	/nfs/dbraw/zinc/66/70/74/398667074.db2.gz	HSEUIPGEMJYSFQ-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1	ZINC000593692414	398672255	/nfs/dbraw/zinc/67/22/55/398672255.db2.gz	FCPQOJSEFGIWCW-UHFFFAOYSA-N	0	3	320.396	2.777	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1ncc(-c2ccccc2)n1C	ZINC000590777810	398673084	/nfs/dbraw/zinc/67/30/84/398673084.db2.gz	LHFBIGVXXDOWPE-HNNXBMFYSA-N	0	3	323.444	2.726	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000593702131	398674184	/nfs/dbraw/zinc/67/41/84/398674184.db2.gz	CRBZWKOXZGJEJL-JSGCOSHPSA-N	0	3	307.825	2.651	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000593708959	398675463	/nfs/dbraw/zinc/67/54/63/398675463.db2.gz	UDBYJQIKWVGQMR-YOEHRIQHSA-N	0	3	317.433	2.742	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c[nH]c3c2cccc3C)CC1	ZINC000172843748	198157653	/nfs/dbraw/zinc/15/76/53/198157653.db2.gz	SFPDCGPTJLSHEK-UHFFFAOYSA-N	0	3	311.429	2.785	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1(C#N)CCC1	ZINC000398176241	398681982	/nfs/dbraw/zinc/68/19/82/398681982.db2.gz	QMQKBHLFACZVRC-NVXWUHKLSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC[C@H](C#N)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000398180199	398682630	/nfs/dbraw/zinc/68/26/30/398682630.db2.gz	NWYLLUUHXORVAY-SJORKVTESA-N	0	3	301.434	2.809	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000590829890	398683323	/nfs/dbraw/zinc/68/33/23/398683323.db2.gz	PJSSKHKLGOXLCW-WMZOPIPTSA-N	0	3	320.481	2.832	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1	ZINC000182068793	199381723	/nfs/dbraw/zinc/38/17/23/199381723.db2.gz	ZMJFFWZSDIYYKG-MRXNPFEDSA-N	0	3	321.424	2.737	20	30		DFEDHN
C[C@@H]1CN(CCOCCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1	ZINC000404505830	398692055	/nfs/dbraw/zinc/69/20/55/398692055.db2.gz	MRSMCEPAKYKIEP-KZNAEPCWSA-N	0	3	315.461	2.900	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1	ZINC000590874321	398692637	/nfs/dbraw/zinc/69/26/37/398692637.db2.gz	NIMWILLMJMOKQG-GUDVDZBRSA-N	0	3	319.408	2.888	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000073665078	398692927	/nfs/dbraw/zinc/69/29/27/398692927.db2.gz	NFTDLQNXZOUQAT-CABCVRRESA-N	0	3	314.433	2.793	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000593883642	398699762	/nfs/dbraw/zinc/69/97/62/398699762.db2.gz	RDXMEYPTWBPVLV-UHFFFAOYSA-N	0	3	311.429	2.534	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCCC1	ZINC000597848846	398704622	/nfs/dbraw/zinc/70/46/22/398704622.db2.gz	IAOGJFZFWQAYJQ-ZBFHGGJFSA-N	0	3	300.402	2.946	20	30		DFEDHN
C=CCc1cc(CNCCC(=O)OC(C)(C)C)cc(OC)c1O	ZINC000174431500	198333524	/nfs/dbraw/zinc/33/35/24/198333524.db2.gz	YMYDMEFMTYBGAK-UHFFFAOYSA-N	0	3	321.417	2.951	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000597861845	398705744	/nfs/dbraw/zinc/70/57/44/398705744.db2.gz	XETUAQWBVJINDG-IXDOHACOSA-N	0	3	311.429	2.651	20	30		DFEDHN
CO[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000597869922	398708859	/nfs/dbraw/zinc/70/88/59/398708859.db2.gz	JLSLFFIRVXKYTI-IRXDYDNUSA-N	0	3	300.402	2.786	20	30		DFEDHN
Cc1nn(C)c(N2CCN(CCC(C)(C)C3CC3)CC2)c1C#N	ZINC000593972630	398711478	/nfs/dbraw/zinc/71/14/78/398711478.db2.gz	HNYKLMAGEMRREQ-UHFFFAOYSA-N	0	3	315.465	2.549	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000593980752	398713163	/nfs/dbraw/zinc/71/31/63/398713163.db2.gz	RMZDIXMHSWXTHI-OAHLLOKOSA-N	0	3	301.434	2.537	20	30		DFEDHN
N#Cc1ccc(CCNC(=O)[C@@H]2CCCN2C2CCCC2)cc1	ZINC000597893342	398714431	/nfs/dbraw/zinc/71/44/31/398714431.db2.gz	OSPUHPNPNOYSTQ-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
C[C@H](CCC#N)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000591013319	398714867	/nfs/dbraw/zinc/71/48/67/398714867.db2.gz	FXUWESOAAQKLDU-HIFRSBDPSA-N	0	3	317.437	2.535	20	30		DFEDHN
COc1ccc(C#N)cc1CN1C[C@@H](c2cnn(C)c2)C(C)(C)C1	ZINC000593998147	398717622	/nfs/dbraw/zinc/71/76/22/398717622.db2.gz	SFBRETUZSRQMQR-KRWDZBQOSA-N	0	3	324.428	2.926	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@@H](OC2CCC2)C1	ZINC000594026355	398724824	/nfs/dbraw/zinc/72/48/24/398724824.db2.gz	JSUMJYJPEYFMJS-QGZVFWFLSA-N	0	3	300.402	2.971	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)Cc1cccc(C(F)(F)F)c1	ZINC000281550086	334980801	/nfs/dbraw/zinc/98/08/01/334980801.db2.gz	JGUWJRZIBHWQOK-LLVKDONJSA-N	0	3	300.324	2.528	20	30		DFEDHN
CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCCO1	ZINC000594041072	398729105	/nfs/dbraw/zinc/72/91/05/398729105.db2.gz	CDAATHFLQSWMSZ-HOTGVXAUSA-N	0	3	321.465	2.609	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C3CCC3)C2)cc1	ZINC000591127079	398729444	/nfs/dbraw/zinc/72/94/44/398729444.db2.gz	ZUNZXNLXOACVGX-ROUUACIJSA-N	0	3	307.397	2.889	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CC1CCCC1)C1CC1	ZINC000594052052	398733257	/nfs/dbraw/zinc/73/32/57/398733257.db2.gz	CYGAZWZPINZCLV-WMZOPIPTSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1F	ZINC000372303646	283093436	/nfs/dbraw/zinc/09/34/36/283093436.db2.gz	YNVOAOBVASWHHC-LJQANCHMSA-N	0	3	321.355	2.793	20	30		DFEDHN
C[C@H](Cn1ncc2ccccc2c1=O)NCc1cc(C#N)cs1	ZINC000131664193	283093678	/nfs/dbraw/zinc/09/36/78/283093678.db2.gz	HIFPAHBOKNYBEI-GFCCVEGCSA-N	0	3	324.409	2.508	20	30		DFEDHN
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCN(CC)C1	ZINC000598039668	398741762	/nfs/dbraw/zinc/74/17/62/398741762.db2.gz	LTJKMNUHHYNWAT-CYBMUJFWSA-N	0	3	305.809	2.768	20	30		DFEDHN
CC(C)CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000047272610	398742647	/nfs/dbraw/zinc/74/26/47/398742647.db2.gz	KNAGGKVWQNKNAJ-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
C[C@@]12COC[C@]1(C)CN(C(=O)C(C#N)CCc1ccccc1)C2	ZINC000598068434	398746629	/nfs/dbraw/zinc/74/66/29/398746629.db2.gz	XUSLLTABUWWHGO-QRQLOZEOSA-N	0	3	312.413	2.644	20	30		DFEDHN
N#Cc1cc2c(nc1N1CCN(c3ccncc3)CC1)CCCC2	ZINC000301096243	283116143	/nfs/dbraw/zinc/11/61/43/283116143.db2.gz	PBUHWNKLZYJGIA-UHFFFAOYSA-N	0	3	319.412	2.554	20	30		DFEDHN
C[C@H](C#N)N(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1	ZINC000598131004	398759229	/nfs/dbraw/zinc/75/92/29/398759229.db2.gz	VXVQMXZMKLWJKO-WBVHZDCISA-N	0	3	311.429	2.802	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1F	ZINC000365234212	283142273	/nfs/dbraw/zinc/14/22/73/283142273.db2.gz	MSENSRUACKZPOO-LJQANCHMSA-N	0	3	321.355	2.793	20	30		DFEDHN
CC1(C)CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCN1	ZINC000591444543	398762215	/nfs/dbraw/zinc/76/22/15/398762215.db2.gz	NNZDOLXPZPFZHT-UHFFFAOYSA-N	0	3	323.444	2.672	20	30		DFEDHN
C[C@@H]1CCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)O1	ZINC000598215747	398772246	/nfs/dbraw/zinc/77/22/46/398772246.db2.gz	YBZRICLVYTUCQR-HYVNUMGLSA-N	0	3	300.402	2.833	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H](CC(C)C)N(C)C	ZINC000048131903	398774335	/nfs/dbraw/zinc/77/43/35/398774335.db2.gz	DMFBXCUEWKBASO-OAHLLOKOSA-N	0	3	304.434	2.958	20	30		DFEDHN
C[C@@H](NC(=O)[C@]1(C#N)CCNC1)c1ccc(Cl)c(Cl)c1	ZINC000591592015	398774404	/nfs/dbraw/zinc/77/44/04/398774404.db2.gz	KTWNSJLWWKOWTK-OTYXRUKQSA-N	0	3	312.200	2.674	20	30		DFEDHN
Cc1ccc(-c2csc(NC(=O)[C@@]3(C#N)CCNC3)n2)s1	ZINC000591590861	398774653	/nfs/dbraw/zinc/77/46/53/398774653.db2.gz	SXWHFBPMZVFXSH-CQSZACIVSA-N	0	3	318.427	2.622	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1	ZINC000598228282	398775030	/nfs/dbraw/zinc/77/50/30/398775030.db2.gz	GKCBCYQKVNCMAJ-GXFFZTMASA-N	0	3	323.190	2.509	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000591607079	398775889	/nfs/dbraw/zinc/77/58/89/398775889.db2.gz	BOTFASFFZVHHMG-MRXNPFEDSA-N	0	3	321.371	2.692	20	30		DFEDHN
CC(C)(CCCc1ccccc1)CNC(=O)[C@@]1(C#N)CCNC1	ZINC000591613744	398776258	/nfs/dbraw/zinc/77/62/58/398776258.db2.gz	BSAHCMQIDLPSSK-LJQANCHMSA-N	0	3	313.445	2.655	20	30		DFEDHN
Cc1cc(NC(=O)[C@@]2(C#N)CCNC2)ccc1Oc1ccncc1	ZINC000591637910	398777519	/nfs/dbraw/zinc/77/75/19/398777519.db2.gz	BHXHNRUUSQXOJF-GOSISDBHSA-N	0	3	322.368	2.624	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000598261994	398779443	/nfs/dbraw/zinc/77/94/43/398779443.db2.gz	WQDIDMYFGGOPNV-GFCCVEGCSA-N	0	3	321.371	2.687	20	30		DFEDHN
Cc1cc(CNC(=O)[C@@]2(C#N)CCNC2)ccc1-c1ccccc1	ZINC000591636947	398778014	/nfs/dbraw/zinc/77/80/14/398778014.db2.gz	VCYZDCZUUFOSJK-HXUWFJFHSA-N	0	3	319.408	2.782	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(C#N)cc1	ZINC000048367677	398782529	/nfs/dbraw/zinc/78/25/29/398782529.db2.gz	UHLARGRBABGLII-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC([C@H]3CCCOC3)CC2)cc1	ZINC000374847893	283188579	/nfs/dbraw/zinc/18/85/79/283188579.db2.gz	UASXSSNTMNVILH-RBUKOAKNSA-N	0	3	314.429	2.730	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)c1	ZINC000591764187	398785494	/nfs/dbraw/zinc/78/54/94/398785494.db2.gz	WDJFRUGUWKRTRM-FXAWDEMLSA-N	0	3	322.408	2.884	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)CCCCC#N)cc1F	ZINC000594368628	398787762	/nfs/dbraw/zinc/78/77/62/398787762.db2.gz	LBGYXSGEURWIDB-UHFFFAOYSA-N	0	3	307.369	2.789	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@H](O)CNCC(C)(C)CC#N)c1	ZINC000591770354	398786201	/nfs/dbraw/zinc/78/62/01/398786201.db2.gz	WLEMQNCVLLTTFK-CYBMUJFWSA-N	0	3	310.825	2.918	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	ZINC000594397203	398792622	/nfs/dbraw/zinc/79/26/22/398792622.db2.gz	FTRSDZDZSPRIEA-NEWSRXKRSA-N	0	3	320.392	2.533	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2	ZINC000591821060	398792072	/nfs/dbraw/zinc/79/20/72/398792072.db2.gz	IEVZGDMTSMWYNK-JKSUJKDBSA-N	0	3	310.445	2.895	20	30		DFEDHN
CN1CCC(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1	ZINC000594403778	398793555	/nfs/dbraw/zinc/79/35/55/398793555.db2.gz	OBCOKRIYGYBGKJ-UHFFFAOYSA-N	0	3	311.429	2.786	20	30		DFEDHN
Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C(C)(C)C	ZINC000049407015	398795290	/nfs/dbraw/zinc/79/52/90/398795290.db2.gz	RUTKLWQHHXZWDJ-ZDUSSCGKSA-N	0	3	311.389	2.843	20	30		DFEDHN
CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594428426	398798490	/nfs/dbraw/zinc/79/84/90/398798490.db2.gz	LTMRQWJJYPTVFR-AWEZNQCLSA-N	0	3	316.405	2.693	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1	ZINC000594429323	398798538	/nfs/dbraw/zinc/79/85/38/398798538.db2.gz	STWUQAKWOCJTIX-SJORKVTESA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21	ZINC000594429418	398798862	/nfs/dbraw/zinc/79/88/62/398798862.db2.gz	TXPXALZQQBAKQB-UONOGXRCSA-N	0	3	321.421	2.890	20	30		DFEDHN
C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594429873	398799455	/nfs/dbraw/zinc/79/94/55/398799455.db2.gz	XOVCRAPHRUFUBH-HUUCEWRRSA-N	0	3	314.433	2.517	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1	ZINC000594429552	398799335	/nfs/dbraw/zinc/79/93/35/398799335.db2.gz	UCYGNNQMYSXMAM-IAGOWNOFSA-N	0	3	301.434	2.954	20	30		DFEDHN
Cc1cc(C)c(CCNC(=O)[C@@H](N)CCCCC#N)c(C)c1	ZINC000594429682	398799421	/nfs/dbraw/zinc/79/94/21/398799421.db2.gz	VNDAOKRKLLHBQG-KRWDZBQOSA-N	0	3	301.434	2.682	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCc1csc2ccccc12	ZINC000594428476	398798717	/nfs/dbraw/zinc/79/87/17/398798717.db2.gz	MGBPSIJOARVVBQ-OAHLLOKOSA-N	0	3	315.442	2.971	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1	ZINC000594429670	398799755	/nfs/dbraw/zinc/79/97/55/398799755.db2.gz	VKFHIUSDEMCYNP-MRXNPFEDSA-N	0	3	321.371	2.867	20	30		DFEDHN
COc1ccccc1C(C)(C)CNC(=O)[C@@H](N)CCCCC#N	ZINC000594431740	398800194	/nfs/dbraw/zinc/80/01/94/398800194.db2.gz	QRCDHERLNPBNSD-HNNXBMFYSA-N	0	3	317.433	2.500	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](N)CCCCC#N)Sc1ccccc1	ZINC000594433293	398800237	/nfs/dbraw/zinc/80/02/37/398800237.db2.gz	NJLXWKQTTDEUPV-UKRRQHHQSA-N	0	3	305.447	2.695	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)c(C)n1	ZINC000286321216	283248833	/nfs/dbraw/zinc/24/88/33/283248833.db2.gz	UTEZDCZZADNQIU-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(Cl)c1	ZINC000594433793	398801634	/nfs/dbraw/zinc/80/16/34/398801634.db2.gz	STHNGCPSLZNSEG-SWLSCSKDSA-N	0	3	323.824	2.635	20	30		DFEDHN
Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594435638	398801501	/nfs/dbraw/zinc/80/15/01/398801501.db2.gz	DUFZKVJAOIJAEC-ZWKOTPCHSA-N	0	3	313.445	2.940	20	30		DFEDHN
COc1c(C)cc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1C	ZINC000594435244	398801715	/nfs/dbraw/zinc/80/17/15/398801715.db2.gz	CIFKQORVRDILHB-INIZCTEOSA-N	0	3	317.433	2.682	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(F)c1	ZINC000594434440	398801720	/nfs/dbraw/zinc/80/17/20/398801720.db2.gz	ZHTYHOHNLWCVOD-ZBFHGGJFSA-N	0	3	321.396	2.511	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccc(-c2cccnc2)cc1	ZINC000594437233	398802116	/nfs/dbraw/zinc/80/21/16/398802116.db2.gz	AAGWCTVZQAWVJR-GOSISDBHSA-N	0	3	322.412	2.776	20	30		DFEDHN
Cc1cccc(OC(F)F)c1NC(=O)[C@@H](N)CCCCC#N	ZINC000594436011	398802385	/nfs/dbraw/zinc/80/23/85/398802385.db2.gz	GOYNVJHVQQRRJR-NSHDSACASA-N	0	3	311.332	2.946	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCOc2c(F)cccc21	ZINC000594441967	398803255	/nfs/dbraw/zinc/80/32/55/398803255.db2.gz	AIIKDWHXCCGSOI-CABCVRRESA-N	0	3	319.380	2.567	20	30		DFEDHN
CCCOc1ccc(CNC(=O)[C@H](N)CCCCC#N)c(C)c1	ZINC000594442704	398803965	/nfs/dbraw/zinc/80/39/65/398803965.db2.gz	IBLWPLFCOTYIBK-QGZVFWFLSA-N	0	3	317.433	2.811	20	30		DFEDHN
Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594442925	398803998	/nfs/dbraw/zinc/80/39/98/398803998.db2.gz	CXWFOCPFJMDNOZ-WBVHZDCISA-N	0	3	301.434	2.796	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000594445093	398804115	/nfs/dbraw/zinc/80/41/15/398804115.db2.gz	PABRNMNQDIPCKY-XQQFMLRXSA-N	0	3	319.371	2.883	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NCCCN(C)Cc1ccccc1	ZINC000280486088	215661762	/nfs/dbraw/zinc/66/17/62/215661762.db2.gz	AZNPVCMFFXKVNY-UHFFFAOYSA-N	0	3	311.385	2.712	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1	ZINC000594447078	398804589	/nfs/dbraw/zinc/80/45/89/398804589.db2.gz	SOYWGLDMNRROAN-QGZVFWFLSA-N	0	3	317.408	2.976	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594443435	398803848	/nfs/dbraw/zinc/80/38/48/398803848.db2.gz	HMOYFCCIWJXYEL-LSDHHAIUSA-N	0	3	309.360	2.943	20	30		DFEDHN
Cc1ccn(-c2ccccc2NC(=O)[C@H](N)CCCCC#N)n1	ZINC000594445124	398804912	/nfs/dbraw/zinc/80/49/12/398804912.db2.gz	AHLQVGPHQWMDNX-CQSZACIVSA-N	0	3	311.389	2.531	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	ZINC000594447886	398805212	/nfs/dbraw/zinc/80/52/12/398805212.db2.gz	WYIHOHVXPXRKFX-FGTMMUONSA-N	0	3	313.445	2.925	20	30		DFEDHN
C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)[C@H](N)c1ccccc1	ZINC000594453574	398805743	/nfs/dbraw/zinc/80/57/43/398805743.db2.gz	ZBPULGRJBAAVSQ-UGSOOPFHSA-N	0	3	305.381	2.737	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1csc(-c2ccncc2)n1	ZINC000594469673	398807767	/nfs/dbraw/zinc/80/77/67/398807767.db2.gz	RSSVXHJNKBXCEG-GFCCVEGCSA-N	0	3	315.402	2.555	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@@H](N)CCCCC#N)Nc1ccccc1	ZINC000594463649	398806998	/nfs/dbraw/zinc/80/69/98/398806998.db2.gz	JGOBFTXQBLIPFK-IRXDYDNUSA-N	0	3	316.449	2.651	20	30		DFEDHN
CC(C)n1cc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2n1	ZINC000594469552	398807027	/nfs/dbraw/zinc/80/70/27/398807027.db2.gz	YUHVYCQAQBWPQJ-HNNXBMFYSA-N	0	3	313.405	2.967	20	30		DFEDHN
NC(=O)C[C@H](NCC#Cc1ccc(F)cc1)C1CCCCC1	ZINC000181994820	283293849	/nfs/dbraw/zinc/29/38/49/283293849.db2.gz	FJQAWLIRPIDROJ-KRWDZBQOSA-N	0	3	302.393	2.591	20	30		DFEDHN
CC(C)COC[C@H](O)CNCc1ccc(C(C)(C)C#N)cc1	ZINC000594496744	398810173	/nfs/dbraw/zinc/81/01/73/398810173.db2.gz	TYRIGIZGKCNYQI-QGZVFWFLSA-N	0	3	304.434	2.611	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1	ZINC000179371564	199023043	/nfs/dbraw/zinc/02/30/43/199023043.db2.gz	ABIARCBPFLTILM-KRWDZBQOSA-N	0	3	315.413	2.674	20	30		DFEDHN
C[C@@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1	ZINC000594508950	398812722	/nfs/dbraw/zinc/81/27/22/398812722.db2.gz	FOSMSQJNELHREW-BYNSBNAKSA-N	0	3	319.424	2.846	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1F	ZINC000050821524	398813746	/nfs/dbraw/zinc/81/37/46/398813746.db2.gz	MFDHEFGDBFBGAA-ZDUSSCGKSA-N	0	3	312.348	2.942	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1	ZINC000179467863	199040997	/nfs/dbraw/zinc/04/09/97/199040997.db2.gz	WYWUBZIIWMKYMZ-QGZVFWFLSA-N	0	3	310.401	2.517	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594514130	398813877	/nfs/dbraw/zinc/81/38/77/398813877.db2.gz	PTSQJLSRTKVHGG-XYPHTWIQSA-N	0	3	311.429	2.587	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(F)cc3cccnc32)CC1	ZINC000179481248	199043063	/nfs/dbraw/zinc/04/30/63/199043063.db2.gz	NTYVEYGGDNLWLM-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000151968195	283304584	/nfs/dbraw/zinc/30/45/84/283304584.db2.gz	XTUCIJDFXLOQHJ-AWEZNQCLSA-N	0	3	322.412	2.842	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccc(C)cc2)C1	ZINC000051063936	398817116	/nfs/dbraw/zinc/81/71/16/398817116.db2.gz	NYMVQZGXUVKHRY-WMZOPIPTSA-N	0	3	300.446	2.940	20	30		DFEDHN
N#Cc1ccc(NCC2(N3CCSCC3)CCCC2)nc1	ZINC000075676867	398817121	/nfs/dbraw/zinc/81/71/21/398817121.db2.gz	YSXHEAZBKFCUGV-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
CCC(C)(C)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1	ZINC000594592199	398825702	/nfs/dbraw/zinc/82/57/02/398825702.db2.gz	QNEMGZKZAYFKAA-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1	ZINC000179893246	199092269	/nfs/dbraw/zinc/09/22/69/199092269.db2.gz	VRZOSZDSUDFZMX-MRXNPFEDSA-N	0	3	301.386	2.616	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)[C@@H]1OC	ZINC000594612592	398832991	/nfs/dbraw/zinc/83/29/91/398832991.db2.gz	PEABNLSOUMDCNM-BBWFWOEESA-N	0	3	302.418	2.770	20	30		DFEDHN
CC1CCC(O)(CNC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000598560996	398832032	/nfs/dbraw/zinc/83/20/32/398832032.db2.gz	OYROGNSJHZKPBT-RMXPPQQLSA-N	0	3	314.429	2.816	20	30		DFEDHN
COc1ccccc1CN(C[C@H](O)CC(C)(C)C#N)C1CC1	ZINC000598585279	398835948	/nfs/dbraw/zinc/83/59/48/398835948.db2.gz	BPHHYADBGLIXSK-MRXNPFEDSA-N	0	3	302.418	2.960	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCCO[C@@H](c2ccccc2)C1	ZINC000598591244	398836923	/nfs/dbraw/zinc/83/69/23/398836923.db2.gz	XITQTBOIBIYWIQ-IAGOWNOFSA-N	0	3	302.418	2.751	20	30		DFEDHN
CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)CC(C)(C)C#N	ZINC000598591074	398837190	/nfs/dbraw/zinc/83/71/90/398837190.db2.gz	ZEUMYWHCVACALT-CQSZACIVSA-N	0	3	304.390	2.538	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598592571	398837833	/nfs/dbraw/zinc/83/78/33/398837833.db2.gz	JHNYZPNCLXUUIQ-GJZGRUSLSA-N	0	3	324.465	2.731	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](CN1CCCC1)c1ccccc1	ZINC000598603569	398839973	/nfs/dbraw/zinc/83/99/73/398839973.db2.gz	WAVWZYZXSMVYHA-ZWKOTPCHSA-N	0	3	315.461	2.714	20	30		DFEDHN
Cn1c2ccccc2nc1C(C)(C)NC[C@@H](O)CC(C)(C)C#N	ZINC000598606289	398840495	/nfs/dbraw/zinc/84/04/95/398840495.db2.gz	ZFXZVGURBIMQPD-ZDUSSCGKSA-N	0	3	314.433	2.699	20	30		DFEDHN
Cc1cnc(C2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)s1	ZINC000598607637	398840839	/nfs/dbraw/zinc/84/08/39/398840839.db2.gz	BWPQGYUCVFAKBG-AWEZNQCLSA-N	0	3	307.463	2.932	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)C(C)(C)CO	ZINC000598615132	398841166	/nfs/dbraw/zinc/84/11/66/398841166.db2.gz	USKYYCUSDUNRGN-HZPDHXFCSA-N	0	3	304.434	2.637	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](Cn1cccn1)c1ccccc1	ZINC000598595307	398838617	/nfs/dbraw/zinc/83/86/17/398838617.db2.gz	HZFRECJFWROTOR-SJORKVTESA-N	0	3	312.417	2.515	20	30		DFEDHN
COc1ccc(C2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000598622913	398842897	/nfs/dbraw/zinc/84/28/97/398842897.db2.gz	PDTOKDCPSFBXOD-HNNXBMFYSA-N	0	3	317.433	2.570	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	ZINC000598619905	398842942	/nfs/dbraw/zinc/84/29/42/398842942.db2.gz	PYSQURHOPCOPIJ-DRMAHVMPSA-N	0	3	320.477	2.957	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1cccs1)C(C)(C)CO	ZINC000598616191	398842108	/nfs/dbraw/zinc/84/21/08/398842108.db2.gz	KFWDLEFZIUTEGJ-GXTWGEPZSA-N	0	3	310.463	2.698	20	30		DFEDHN
COc1ccc2c(c1)C1(CC1)CN(C[C@@H](O)CC(C)(C)C#N)C2	ZINC000598616110	398842184	/nfs/dbraw/zinc/84/21/84/398842184.db2.gz	JQPRFWHKWLLUBX-HNNXBMFYSA-N	0	3	314.429	2.843	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)C1(CO)CCC1	ZINC000598617602	398842248	/nfs/dbraw/zinc/84/22/48/398842248.db2.gz	KMEPXGDEABRTII-DLBZAZTESA-N	0	3	316.445	2.781	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C[C@@H](O)CC(C)(C)C#N	ZINC000598623053	398842641	/nfs/dbraw/zinc/84/26/41/398842641.db2.gz	UDMJWYDGRSEUSI-KFWWJZLASA-N	0	3	324.465	2.729	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000594716142	398848284	/nfs/dbraw/zinc/84/82/84/398848284.db2.gz	JWXOIXKKFKNFRU-LJQANCHMSA-N	0	3	324.424	2.899	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccc(OC2CCCC2)nc1	ZINC000598715284	398860119	/nfs/dbraw/zinc/86/01/19/398860119.db2.gz	NXUJSLAEPNFGGH-HNNXBMFYSA-N	0	3	317.433	2.793	20	30		DFEDHN
CO[C@@H](CNC[C@H](O)CC(C)(C)C#N)c1ccccc1Cl	ZINC000598726040	398862527	/nfs/dbraw/zinc/86/25/27/398862527.db2.gz	QOGZEBPGSCYJIQ-DOMZBBRYSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cc(F)ccc1OC(F)F	ZINC000598730666	398863962	/nfs/dbraw/zinc/86/39/62/398863962.db2.gz	YKWVOYCLQODFGC-LBPRGKRZSA-N	0	3	316.323	2.817	20	30		DFEDHN
CCc1nnc2n1C[C@@H](NCc1ccc(C3(C#N)CC3)cc1)CC2	ZINC000594921361	398871610	/nfs/dbraw/zinc/87/16/10/398871610.db2.gz	BVXANPRZZGSYJK-INIZCTEOSA-N	0	3	321.428	2.500	20	30		DFEDHN
C#CCSCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000181098033	199252073	/nfs/dbraw/zinc/25/20/73/199252073.db2.gz	LKGSAZOSELLJLE-GFCCVEGCSA-N	0	3	306.431	2.671	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C#N)c(F)c1	ZINC000595102132	398905441	/nfs/dbraw/zinc/90/54/41/398905441.db2.gz	KBRYQXVYZAJVFU-FZKQIMNGSA-N	0	3	320.408	2.916	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C#N)cc1F	ZINC000595105916	398906227	/nfs/dbraw/zinc/90/62/27/398906227.db2.gz	UHMCLRWDEJNCSP-SCLBCKFNSA-N	0	3	320.408	2.916	20	30		DFEDHN
N#CCCCCC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1	ZINC000595224820	398910966	/nfs/dbraw/zinc/91/09/66/398910966.db2.gz	HUSIYMFXMCPPOT-HZPDHXFCSA-N	0	3	303.381	2.553	20	30		DFEDHN
CC(C)(NC(=O)c1ccc2c(c1)CNC2)c1cccc(C#N)c1	ZINC000595255198	398913674	/nfs/dbraw/zinc/91/36/74/398913674.db2.gz	BDTYRJCQMMLUTA-UHFFFAOYSA-N	0	3	305.381	2.827	20	30		DFEDHN
C=CCCSCCNC(=O)Nc1ccc2c(c1)CNCCO2	ZINC000595237177	398912413	/nfs/dbraw/zinc/91/24/13/398912413.db2.gz	ZIHZYBBCVJGPRL-UHFFFAOYSA-N	0	3	321.446	2.599	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(Nc2cccnn2)CC1	ZINC000187679437	200143310	/nfs/dbraw/zinc/14/33/10/200143310.db2.gz	KERPKKMUEIOQPW-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CN2CCOCC2)C1	ZINC000187674603	200143551	/nfs/dbraw/zinc/14/35/51/200143551.db2.gz	IOGFRFCLFBDZLU-FUHWJXTLSA-N	0	3	313.445	2.663	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1cccc(C#N)c1)CC2	ZINC000187700186	200146977	/nfs/dbraw/zinc/14/69/77/200146977.db2.gz	ACTWXTFGLIFAMR-BMGDILEWSA-N	0	3	314.429	2.871	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000147742464	398913326	/nfs/dbraw/zinc/91/33/26/398913326.db2.gz	ICEFEFVQNHBRSR-HIFRSBDPSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1	ZINC000599071829	398917453	/nfs/dbraw/zinc/91/74/53/398917453.db2.gz	UKVGZGGDTNGXMS-FRFSOERESA-N	0	3	319.836	2.827	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1ccc(C#N)cc1	ZINC000595295112	398917604	/nfs/dbraw/zinc/91/76/04/398917604.db2.gz	FHOURSXWQPISKP-BZSNNMDCSA-N	0	3	312.413	2.907	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCc1ccc(C#N)cc1	ZINC000595295114	398917750	/nfs/dbraw/zinc/91/77/50/398917750.db2.gz	FHOURSXWQPISKP-KURKYZTESA-N	0	3	312.413	2.907	20	30		DFEDHN
C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(C#N)c1	ZINC000599085394	398918562	/nfs/dbraw/zinc/91/85/62/398918562.db2.gz	ZVHOFCCWPLOANO-NJAPINKUSA-N	0	3	309.369	2.840	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@H](OCc3ccncc3)C2)c1	ZINC000281091559	216073705	/nfs/dbraw/zinc/07/37/05/216073705.db2.gz	VGEQKDCQUIOYCF-LJQANCHMSA-N	0	3	323.396	2.623	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@H](O)C1	ZINC000595296903	398919086	/nfs/dbraw/zinc/91/90/86/398919086.db2.gz	NQYWNUSCLQVQIF-MSOLQXFVSA-N	0	3	302.418	2.558	20	30		DFEDHN
Cc1nc(C[C@H]2CCCN(CCc3ccc(C#N)cc3)C2)no1	ZINC000595309447	398920275	/nfs/dbraw/zinc/92/02/75/398920275.db2.gz	SSMWAGVOXVQHRN-QGZVFWFLSA-N	0	3	310.401	2.747	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CCN(CCc2ccc(C#N)cc2)C1	ZINC000595333088	398923627	/nfs/dbraw/zinc/92/36/27/398923627.db2.gz	BFBYXMSIWVPNTR-MRXNPFEDSA-N	0	3	300.402	2.764	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC([C@@H]3CCCO3)CC2)c1	ZINC000189124154	200352944	/nfs/dbraw/zinc/35/29/44/200352944.db2.gz	TVNZPESODOERTL-SFHVURJKSA-N	0	3	300.402	2.828	20	30		DFEDHN
CS[C@@H](CO)[C@H](C)NCc1cccc(OCCCC#N)c1	ZINC000152489389	398932039	/nfs/dbraw/zinc/93/20/39/398932039.db2.gz	IJBRJVQNGTZHJU-BBRMVZONSA-N	0	3	308.447	2.571	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1	ZINC000599165250	398932463	/nfs/dbraw/zinc/93/24/63/398932463.db2.gz	OZWJRGHLGLFVCJ-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H]1N1CCCC1	ZINC000595434092	398937428	/nfs/dbraw/zinc/93/74/28/398937428.db2.gz	XVNAWKLSVLSEGH-BRWVUGGUSA-N	0	3	301.459	2.763	20	30		DFEDHN
Cc1noc(C2(C)CCN(CCc3ccc(C#N)cc3)CC2)n1	ZINC000595432525	398937496	/nfs/dbraw/zinc/93/74/96/398937496.db2.gz	WIRRBMGFTOOROT-UHFFFAOYSA-N	0	3	310.401	2.846	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000595448366	398940296	/nfs/dbraw/zinc/94/02/96/398940296.db2.gz	JNPBVJHDRJKFTP-OAGGEKHMSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000595448365	398940336	/nfs/dbraw/zinc/94/03/36/398940336.db2.gz	JNPBVJHDRJKFTP-BZUAXINKSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@@H](c1ccccc1F)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599263343	398943870	/nfs/dbraw/zinc/94/38/70/398943870.db2.gz	GICQQGGORFTMNA-LSDHHAIUSA-N	0	3	320.408	2.890	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@@H](O)COc1ccccc1C#N	ZINC000599272965	398945425	/nfs/dbraw/zinc/94/54/25/398945425.db2.gz	UJDAJEPCKWVPQT-MRXNPFEDSA-N	0	3	314.385	2.802	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599271878	398945850	/nfs/dbraw/zinc/94/58/50/398945850.db2.gz	JHCAPDBDWGKJDC-HNNXBMFYSA-N	0	3	306.406	2.561	20	30		DFEDHN
COc1cccc([C@H]2C[C@H](O)CN2CCc2ccc(C#N)cc2)c1	ZINC000595472167	398945976	/nfs/dbraw/zinc/94/59/76/398945976.db2.gz	JCMGHCKEYBGSSF-AZUAARDMSA-N	0	3	322.408	2.917	20	30		DFEDHN
CCN(C[C@H](O)CC1(O)CCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000599270394	398945996	/nfs/dbraw/zinc/94/59/96/398945996.db2.gz	IMWAEYRNZHEVLW-WMLDXEAASA-N	0	3	302.418	2.607	20	30		DFEDHN
COCCN(Cc1ccc(C)cc1C)C[C@H](O)CC1(C#N)CC1	ZINC000599274124	398946598	/nfs/dbraw/zinc/94/65/98/398946598.db2.gz	LZCDLZVWJMZLCG-GOSISDBHSA-N	0	3	316.445	2.807	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000595483160	398947710	/nfs/dbraw/zinc/94/77/10/398947710.db2.gz	SXLCUYAMRZUUJM-KBPBESRZSA-N	0	3	300.324	2.904	20	30		DFEDHN
COCCCOC1CCN(Cc2ccc(C)c(C#N)c2)CC1	ZINC000599298914	398949961	/nfs/dbraw/zinc/94/99/61/398949961.db2.gz	BAFROTVGTNCTSQ-UHFFFAOYSA-N	0	3	302.418	2.884	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599294169	398948750	/nfs/dbraw/zinc/94/87/50/398948750.db2.gz	BHBGFEYMHRZVNR-RDJZCZTQSA-N	0	3	314.429	2.677	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)NCC1(C#N)CCCCC1	ZINC000595498988	398950558	/nfs/dbraw/zinc/95/05/58/398950558.db2.gz	JOXAOZDWGIIDCV-OAHLLOKOSA-N	0	3	306.454	2.634	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H](CC#N)C1	ZINC000595507964	398953010	/nfs/dbraw/zinc/95/30/10/398953010.db2.gz	SIQAMEPEFGZGIF-CVEARBPZSA-N	0	3	306.454	2.586	20	30		DFEDHN
Cc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1C#N	ZINC000599318698	398953190	/nfs/dbraw/zinc/95/31/90/398953190.db2.gz	WAQUEYVJDWJASK-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CC[C@H](c1ccncc1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599337962	398956355	/nfs/dbraw/zinc/95/63/55/398956355.db2.gz	NLEJFEJOFGKWOO-IAGOWNOFSA-N	0	3	317.433	2.536	20	30		DFEDHN
CN(CCNC(=O)/C=C/c1ccc(C#N)cc1)Cc1ccccc1	ZINC000056191958	398956592	/nfs/dbraw/zinc/95/65/92/398956592.db2.gz	ZNSOHIRUBQRYDK-VAWYXSNFSA-N	0	3	319.408	2.820	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F	ZINC000599345087	398957699	/nfs/dbraw/zinc/95/76/99/398957699.db2.gz	LTKFBQUGHCPAJO-TZMCWYRMSA-N	0	3	324.371	2.687	20	30		DFEDHN
C=CCc1cc(CN[C@@H](C)Cn2cccn2)cc(OC)c1O	ZINC000271927609	209330362	/nfs/dbraw/zinc/33/03/62/209330362.db2.gz	LQQJLLPTXDZDJX-ZDUSSCGKSA-N	0	3	301.390	2.504	20	30		DFEDHN
N#Cc1ccc(CCN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000595535405	398958284	/nfs/dbraw/zinc/95/82/84/398958284.db2.gz	ZJGPFHVZPIXCCA-VQTJNVASSA-N	0	3	324.399	2.901	20	30		DFEDHN
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc(C#N)c1	ZINC000595541116	398961398	/nfs/dbraw/zinc/96/13/98/398961398.db2.gz	SGXVTJVDZDGGEK-CZUORRHYSA-N	0	3	314.433	2.791	20	30		DFEDHN
COc1cc(F)c([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1OC	ZINC000599355580	398961802	/nfs/dbraw/zinc/96/18/02/398961802.db2.gz	BMCSHHFEFRJYCP-VXGBXAGGSA-N	0	3	322.380	2.548	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H](CO)[C@@H](C)c1ccccc1	ZINC000613390237	398969200	/nfs/dbraw/zinc/96/92/00/398969200.db2.gz	ZWCIVWPRBOEYBI-KSSFIOAISA-N	0	3	310.397	2.821	20	30		DFEDHN
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000271867013	209280342	/nfs/dbraw/zinc/28/03/42/209280342.db2.gz	LSQJPWQZJXYKAB-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1C#N	ZINC000599435784	398982635	/nfs/dbraw/zinc/98/26/35/398982635.db2.gz	AXHCIKBQQPOCFH-GOSISDBHSA-N	0	3	311.429	2.844	20	30		DFEDHN
Cc1ccccc1C1(NC[C@@H](O)COc2ccccc2C#N)CC1	ZINC000599455307	398988046	/nfs/dbraw/zinc/98/80/46/398988046.db2.gz	LSUZDGFDEHOWKT-QGZVFWFLSA-N	0	3	322.408	2.885	20	30		DFEDHN
C=CCCC(=O)N(C)C[C@H]1CCCN(CC)[C@@H]1c1cnn(C)c1	ZINC000618061958	398991373	/nfs/dbraw/zinc/99/13/73/398991373.db2.gz	VPPQWTZAZZMSKE-QAPCUYQASA-N	0	3	318.465	2.618	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000595604513	398994586	/nfs/dbraw/zinc/99/45/86/398994586.db2.gz	SBSWOTNIFMIWHY-SWLSCSKDSA-N	0	3	317.389	2.918	20	30		DFEDHN
CCOc1cc(C#N)ccc1OC(=O)C1CCN(C2CC2)CC1	ZINC000195303602	201375747	/nfs/dbraw/zinc/37/57/47/201375747.db2.gz	MLOZUHOVGBBVQD-UHFFFAOYSA-N	0	3	314.385	2.737	20	30		DFEDHN
C=CC[C@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000599530503	399003621	/nfs/dbraw/zinc/00/36/21/399003621.db2.gz	YVSYVDSRZUWXFN-FUHWJXTLSA-N	0	3	309.413	2.952	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@@H](CC#N)C2)C1	ZINC000595623392	399006236	/nfs/dbraw/zinc/00/62/36/399006236.db2.gz	OQSVOQMAGZCVLL-HOTGVXAUSA-N	0	3	305.466	2.897	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1	ZINC000271802574	209229625	/nfs/dbraw/zinc/22/96/25/209229625.db2.gz	KJRMUKCSOLLFOZ-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl	ZINC000600271926	399023766	/nfs/dbraw/zinc/02/37/66/399023766.db2.gz	OWEWCOCESZTFTN-SNVBAGLBSA-N	0	3	312.200	2.689	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1Cl	ZINC000282312230	334994110	/nfs/dbraw/zinc/99/41/10/334994110.db2.gz	KNQGVOPAVCFHMO-SMDDNHRTSA-N	0	3	308.809	2.662	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000091233274	193024233	/nfs/dbraw/zinc/02/42/33/193024233.db2.gz	BWZXEPMRINNAGM-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
N#Cc1ccc(C2(NCCOCC3CC3)CCOCC2)cc1	ZINC000599632215	399036562	/nfs/dbraw/zinc/03/65/62/399036562.db2.gz	VHGRGOMKLNOLPP-UHFFFAOYSA-N	0	3	300.402	2.580	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN[C@H]2CCCC[C@H]2C#N)C1	ZINC000595692942	399038055	/nfs/dbraw/zinc/03/80/55/399038055.db2.gz	ZIQYDKWXSZVFLE-PMPSAXMXSA-N	0	3	305.466	2.943	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000595693729	399038376	/nfs/dbraw/zinc/03/83/76/399038376.db2.gz	JERCYQLXOYEJAZ-BPQIPLTHSA-N	0	3	311.429	2.821	20	30		DFEDHN
COCC(C)(C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000171203583	399040208	/nfs/dbraw/zinc/04/02/08/399040208.db2.gz	UNLHSTLDFOCPCD-UHFFFAOYSA-N	0	3	317.433	2.565	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000079495770	399049835	/nfs/dbraw/zinc/04/98/35/399049835.db2.gz	PECSITHQQUAEMS-WMLDXEAASA-N	0	3	316.449	2.895	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(Cc2ccc(C#N)s2)CC1	ZINC000599664097	399052113	/nfs/dbraw/zinc/05/21/13/399052113.db2.gz	NBBFUURNHFKSCO-UHFFFAOYSA-N	0	3	319.474	2.697	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(Cc2ccccc2C#N)CC1	ZINC000599670052	399055204	/nfs/dbraw/zinc/05/52/04/399055204.db2.gz	QDSKWCDVGRRVPX-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
C#CCCN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000271783526	209211806	/nfs/dbraw/zinc/21/18/06/209211806.db2.gz	IGFZMXDMBVTMGS-HNNXBMFYSA-N	0	3	303.425	2.642	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1	ZINC000079557187	399058957	/nfs/dbraw/zinc/05/89/57/399058957.db2.gz	OFWUSOCCWILERH-WBVHZDCISA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1OC	ZINC000621738554	399059013	/nfs/dbraw/zinc/05/90/13/399059013.db2.gz	JMSKGYVRRFOGEK-GOEBONIOSA-N	0	3	305.418	2.710	20	30		DFEDHN
CCC1(CC)CCCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000595752430	399069901	/nfs/dbraw/zinc/06/99/01/399069901.db2.gz	MGNIVXGOHQPLMX-UHFFFAOYSA-N	0	3	304.438	2.545	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(C#N)cc1	ZINC000275245061	212220134	/nfs/dbraw/zinc/22/01/34/212220134.db2.gz	FVXYGHLYSDPPEZ-WMZOPIPTSA-N	0	3	310.401	2.528	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000079735249	399080489	/nfs/dbraw/zinc/08/04/89/399080489.db2.gz	OZHCCILSXCYNPJ-KRWDZBQOSA-N	0	3	301.434	2.543	20	30		DFEDHN
CO[C@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000275203417	212192974	/nfs/dbraw/zinc/19/29/74/212192974.db2.gz	IJHVNYOUNPENCG-KGLIPLIRSA-N	0	3	321.446	2.722	20	30		DFEDHN
CN(C)C(=O)N(C)[C@H]1CCN(CCC2(C#N)CCCCC2)C1	ZINC000595823131	399099438	/nfs/dbraw/zinc/09/94/38/399099438.db2.gz	HAJOTNZCXHRFSG-HNNXBMFYSA-N	0	3	306.454	2.538	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(c2ccncc2)CC1	ZINC000191671735	335007481	/nfs/dbraw/zinc/00/74/81/335007481.db2.gz	PNGUOHQEKVUVNQ-MRXNPFEDSA-N	0	3	313.445	2.850	20	30		DFEDHN
Cc1cccnc1CN1CCCN(c2ccccc2C#N)CC1	ZINC000093159023	193209425	/nfs/dbraw/zinc/20/94/25/193209425.db2.gz	XDEPPISCOGVQFC-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000275029424	212082836	/nfs/dbraw/zinc/08/28/36/212082836.db2.gz	RVYBMLYAJSUBQR-NVXWUHKLSA-N	0	3	301.434	2.724	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN(CCC2CC2)CC2CC2)c1	ZINC000595871362	399117462	/nfs/dbraw/zinc/11/74/62/399117462.db2.gz	LDRNHEKULGVWFS-UHFFFAOYSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000275029423	212082174	/nfs/dbraw/zinc/08/21/74/212082174.db2.gz	RVYBMLYAJSUBQR-DOTOQJQBSA-N	0	3	301.434	2.724	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(OC(F)(F)F)cc2)CC1	ZINC000600718498	399123364	/nfs/dbraw/zinc/12/33/64/399123364.db2.gz	QRXGDFALDCJFJF-LBPRGKRZSA-N	0	3	314.307	2.730	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(OCCCOC)CC2)cc1	ZINC000093561480	193268736	/nfs/dbraw/zinc/26/87/36/193268736.db2.gz	ZGUPJUKHSOFMNP-UHFFFAOYSA-N	0	3	317.429	2.716	20	30		DFEDHN
CCOc1cc(Cl)ccc1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600727755	399126951	/nfs/dbraw/zinc/12/69/51/399126951.db2.gz	MFJMLWVPUCEAQV-AWEZNQCLSA-N	0	3	308.809	2.883	20	30		DFEDHN
N#CC1(C[C@H](O)CNC[C@H](c2ccccc2)C(F)(F)F)CC1	ZINC000600733437	399129152	/nfs/dbraw/zinc/12/91/52/399129152.db2.gz	CVOVBFISLSTNOR-UONOGXRCSA-N	0	3	312.335	2.977	20	30		DFEDHN
Cc1cccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C(C)C)c1	ZINC000179586749	399129869	/nfs/dbraw/zinc/12/98/69/399129869.db2.gz	WKLYZFNWNGRBBK-GOSISDBHSA-N	0	3	301.434	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(N(C)C)c2C)CC1	ZINC000180120345	399131863	/nfs/dbraw/zinc/13/18/63/399131863.db2.gz	ICEZWOQTXZKJSD-UHFFFAOYSA-N	0	3	316.449	2.833	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC(=O)NCCCC)c1ccccc1	ZINC000180043696	399131961	/nfs/dbraw/zinc/13/19/61/399131961.db2.gz	PWJJBQFLMKQIJO-MRXNPFEDSA-N	0	3	317.433	2.909	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@H]1CCCc2ccc(Cl)cc21	ZINC000600753250	399134852	/nfs/dbraw/zinc/13/48/52/399134852.db2.gz	AOLVRFIAFWLZOJ-RDJZCZTQSA-N	0	3	321.852	2.513	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1	ZINC000180969756	399137449	/nfs/dbraw/zinc/13/74/49/399137449.db2.gz	LMNLLIFUOZIBGZ-CQSZACIVSA-N	0	3	317.433	2.548	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1	ZINC000274903020	212022400	/nfs/dbraw/zinc/02/24/00/212022400.db2.gz	HORXMWWDENDCHX-OAHLLOKOSA-N	0	3	315.369	2.760	20	30		DFEDHN
CCC(O)(CC)CN(C)C(=O)C(C#N)CCc1ccccc1	ZINC000600767518	399139623	/nfs/dbraw/zinc/13/96/23/399139623.db2.gz	RBUDSFNBVIRYML-MRXNPFEDSA-N	0	3	302.418	2.768	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)NCC#N)c1ccc(C(F)(F)F)cc1	ZINC000181508998	399140912	/nfs/dbraw/zinc/14/09/12/399140912.db2.gz	OIUHIOFGBOIGQX-CQSZACIVSA-N	0	3	313.323	2.632	20	30		DFEDHN
CC1(C)CCCN[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000595975484	399143298	/nfs/dbraw/zinc/14/32/98/399143298.db2.gz	HVOVBAFAJLLCHW-IKGGRYGDSA-N	0	3	311.429	2.530	20	30		DFEDHN
CCC[C@@H](NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000181866943	399142429	/nfs/dbraw/zinc/14/24/29/399142429.db2.gz	LRZFPHIYPPNBPB-CYBMUJFWSA-N	0	3	313.323	2.776	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2cc(F)cc(Br)c2C1	ZINC000600794805	399150141	/nfs/dbraw/zinc/15/01/41/399150141.db2.gz	XXXFTKQBPDJHNI-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccsc1	ZINC000061362685	399154573	/nfs/dbraw/zinc/15/45/73/399154573.db2.gz	CUZMYUOLSCMHFI-DOMZBBRYSA-N	0	3	302.399	2.710	20	30		DFEDHN
Cc1nn2c(nc(C)c2CNCCc2cccc(C#N)c2)s1	ZINC000341492515	284261040	/nfs/dbraw/zinc/26/10/40/284261040.db2.gz	VOFPAHBKNIIZFF-UHFFFAOYSA-N	0	3	311.414	2.612	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C	ZINC000265023438	204350470	/nfs/dbraw/zinc/35/04/70/204350470.db2.gz	YRVWBEVRFOZOSG-HUUCEWRRSA-N	0	3	300.402	2.560	20	30		DFEDHN
CC[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C#N	ZINC000265010550	204341783	/nfs/dbraw/zinc/34/17/83/204341783.db2.gz	WUACVGMQRPADDF-ZDUSSCGKSA-N	0	3	303.366	2.538	20	30		DFEDHN
C=CC[NH+](CC=C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C	ZINC000596071532	399163624	/nfs/dbraw/zinc/16/36/24/399163624.db2.gz	QDIONNIVSGSGGU-AWEZNQCLSA-N	0	3	320.393	2.806	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000596093465	399170833	/nfs/dbraw/zinc/17/08/33/399170833.db2.gz	UPBYIDGCQBBSKL-KRWDZBQOSA-N	0	3	309.417	2.758	20	30		DFEDHN
COCCCOCCN(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000614179194	399171847	/nfs/dbraw/zinc/17/18/47/399171847.db2.gz	HXTDAGMNLRBYGP-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
CCc1nc(C#N)cc(N(CC)Cc2ccc(CN(C)C)cc2)n1	ZINC000596105390	399174932	/nfs/dbraw/zinc/17/49/32/399174932.db2.gz	PKKVPOGGFOAJSS-UHFFFAOYSA-N	0	3	323.444	2.999	20	30		DFEDHN
Cc1cc(C#N)nc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000288280417	220059642	/nfs/dbraw/zinc/05/96/42/220059642.db2.gz	HGXJHRGULKBLEQ-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
CCc1nc(C#N)cc(N2CC[C@H](N(C)Cc3ccccc3)C2)n1	ZINC000596141287	399188309	/nfs/dbraw/zinc/18/83/09/399188309.db2.gz	XQAAWQKUPIWVMX-KRWDZBQOSA-N	0	3	321.428	2.621	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCC34CCC4)C2=O)cc1	ZINC000282784420	217247666	/nfs/dbraw/zinc/24/76/66/217247666.db2.gz	PSCCBORJQRIYLD-SJORKVTESA-N	0	3	309.413	2.976	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1C#N	ZINC000266171585	205156926	/nfs/dbraw/zinc/15/69/26/205156926.db2.gz	RLGKSZYHUHRJEP-KZULUSFZSA-N	0	3	314.360	2.918	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596158755	399195957	/nfs/dbraw/zinc/19/59/57/399195957.db2.gz	IXOHDFYQUPNJBC-DLBZAZTESA-N	0	3	321.428	2.955	20	30		DFEDHN
C=CCOCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000266299376	205247388	/nfs/dbraw/zinc/24/73/88/205247388.db2.gz	QLTXKTFDXBVVHW-UHFFFAOYSA-N	0	3	322.424	2.699	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000601009775	399201826	/nfs/dbraw/zinc/20/18/26/399201826.db2.gz	IKXVHYYKLQPMNF-CQSZACIVSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCN(CCCN1CCCC1=O)Cc1ccc(OC)cc1	ZINC000064142882	399217688	/nfs/dbraw/zinc/21/76/88/399217688.db2.gz	WYGZNDXAXGHFHN-UHFFFAOYSA-N	0	3	302.418	2.696	20	30		DFEDHN
CC(C)OCCN1CCC(Nc2cccc(F)c2C#N)CC1	ZINC000267090351	205801722	/nfs/dbraw/zinc/80/17/22/205801722.db2.gz	UMGONURCDLGDGC-UHFFFAOYSA-N	0	3	305.397	2.999	20	30		DFEDHN
C#CCCCC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000191998103	335021398	/nfs/dbraw/zinc/02/13/98/335021398.db2.gz	NOUCHDKNGAGIBN-UHFFFAOYSA-N	0	3	304.459	2.880	20	30		DFEDHN
Cc1nc(C)n([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1	ZINC000614398488	399224786	/nfs/dbraw/zinc/22/47/86/399224786.db2.gz	ZGJFQTUMTCYJOJ-GOSISDBHSA-N	0	3	309.417	2.912	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618813382	399240528	/nfs/dbraw/zinc/24/05/28/399240528.db2.gz	UCEKTXZWHLBRMM-QGZVFWFLSA-N	0	3	314.433	2.577	20	30		DFEDHN
C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N(C)Cc1ccccc1	ZINC000601149945	399241804	/nfs/dbraw/zinc/24/18/04/399241804.db2.gz	UHKMQLUOKXIKGZ-HNNXBMFYSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3nccc(C)c3c2)CC1	ZINC000285366213	335025417	/nfs/dbraw/zinc/02/54/17/335025417.db2.gz	METQKLACYXXLNA-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000267615367	206175095	/nfs/dbraw/zinc/17/50/95/206175095.db2.gz	PSFUIYLXOQGPRU-OAHLLOKOSA-N	0	3	316.380	2.789	20	30		DFEDHN
C#CCCCC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000192166755	335027142	/nfs/dbraw/zinc/02/71/42/335027142.db2.gz	IODKXCXWPVZQJV-UHFFFAOYSA-N	0	3	313.445	2.950	20	30		DFEDHN
C=CCC[C@H](NCCCOCCOCCOC)c1ccco1	ZINC000286195648	335030466	/nfs/dbraw/zinc/03/04/66/335030466.db2.gz	RAQMGLWXYKVUSJ-INIZCTEOSA-N	0	3	311.422	2.946	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)C1CCN(C2CC2)CC1	ZINC000192525602	335030940	/nfs/dbraw/zinc/03/09/40/335030940.db2.gz	FTRGWKCZJKUIAS-UHFFFAOYSA-N	0	3	314.429	2.742	20	30		DFEDHN
CN(CCC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1	ZINC000618891349	399253088	/nfs/dbraw/zinc/25/30/88/399253088.db2.gz	YQOCQSHVJGRISW-GOSISDBHSA-N	0	3	320.396	2.583	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(CSC)cc2)CC1	ZINC000286526692	335035555	/nfs/dbraw/zinc/03/55/55/335035555.db2.gz	RYCKZCUACHKZAR-UHFFFAOYSA-N	0	3	316.470	2.511	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(F)c(C)c2)CC1	ZINC000267943680	206351428	/nfs/dbraw/zinc/35/14/28/206351428.db2.gz	IQSRRZRASPVRLK-AWEZNQCLSA-N	0	3	302.393	2.657	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(F)c1	ZINC000268003326	206389057	/nfs/dbraw/zinc/38/90/57/206389057.db2.gz	XLSDYJUSFUDDCV-CYBMUJFWSA-N	0	3	319.355	2.537	20	30		DFEDHN
Cc1ccc2[nH]c3c(c2c1)C[C@@H](N1CCN(CCC#N)CC1)CC3	ZINC000601317116	399276310	/nfs/dbraw/zinc/27/63/10/399276310.db2.gz	WPAZMSAIFXCPFU-INIZCTEOSA-N	0	3	322.456	2.865	20	30		DFEDHN
COc1ccc([C@@H](C)[C@@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601314922	399275530	/nfs/dbraw/zinc/27/55/30/399275530.db2.gz	BSJPWSPOWQXPMA-JKSUJKDBSA-N	0	3	301.434	2.718	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601447465	399290276	/nfs/dbraw/zinc/29/02/76/399290276.db2.gz	PZRFJBIMZQIDDG-NVXWUHKLSA-N	0	3	323.440	2.707	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609266312	399311594	/nfs/dbraw/zinc/31/15/94/399311594.db2.gz	MWUPVNPMSAARCB-UHFFFAOYSA-N	0	3	322.412	2.545	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC(F)(F)C2)cc1	ZINC000619298573	399326286	/nfs/dbraw/zinc/32/62/86/399326286.db2.gz	VWFXBSIJYFIXAQ-ZIAGYGMSSA-N	0	3	303.312	2.545	20	30		DFEDHN
C=C(C)[C@@H](NCCN1CCO[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000192803317	335039600	/nfs/dbraw/zinc/03/96/00/335039600.db2.gz	KKGCMHDDTOBVLO-SUMWQHHRSA-N	0	3	310.388	2.892	20	30		DFEDHN
CC#CCCN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000274110509	211365145	/nfs/dbraw/zinc/36/51/45/211365145.db2.gz	VWOIEVUQWKBUID-OAHLLOKOSA-N	0	3	321.490	2.772	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000609921491	399336450	/nfs/dbraw/zinc/33/64/50/399336450.db2.gz	BWTGKKRDHANJMQ-CMPLNLGQSA-N	0	3	311.307	2.560	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1	ZINC000609921302	399336454	/nfs/dbraw/zinc/33/64/54/399336454.db2.gz	HKLNKOPHLMCBKR-LBPRGKRZSA-N	0	3	310.357	2.602	20	30		DFEDHN
Cc1cccc(CN2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)c1	ZINC000601850441	399349641	/nfs/dbraw/zinc/34/96/41/399349641.db2.gz	NARTXVDEYZLCRZ-LJQANCHMSA-N	0	3	319.408	2.871	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@H]2CCN(CCCCC#N)C2)o1	ZINC000610249154	399350424	/nfs/dbraw/zinc/35/04/24/399350424.db2.gz	ZEEDLJBAMFWIDX-HNNXBMFYSA-N	0	3	304.438	2.998	20	30		DFEDHN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCC[C@@H](C)C1	ZINC000052159998	425883914	/nfs/dbraw/zinc/88/39/14/425883914.db2.gz	BHLYTHYEOQGEHK-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC(C)CC1)c1cccc(C#N)c1	ZINC000610348628	399358948	/nfs/dbraw/zinc/35/89/48/399358948.db2.gz	XEBQZXIVCNPPJC-HNNXBMFYSA-N	0	3	314.433	2.650	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)C(C)(C)CO1	ZINC000610391250	399363158	/nfs/dbraw/zinc/36/31/58/399363158.db2.gz	NCJRCDUVJUQTHS-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCN1CCC(Nc2ncccc2C(=O)OC(C)C)CC1	ZINC000273829085	211094430	/nfs/dbraw/zinc/09/44/30/211094430.db2.gz	FNQMPOUPYPLFRF-UHFFFAOYSA-N	0	3	303.406	2.709	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610406681	399364540	/nfs/dbraw/zinc/36/45/40/399364540.db2.gz	ITFUEURGUXLSRV-HNNXBMFYSA-N	0	3	316.449	2.848	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1ccnn1-c1ccccc1	ZINC000619611141	399367396	/nfs/dbraw/zinc/36/73/96/399367396.db2.gz	PSALOORLOYXCER-HNNXBMFYSA-N	0	3	309.417	2.511	20	30		DFEDHN
N#CC1(CCCN2CCC[C@H](OC(F)F)C2)CCOCC1	ZINC000619621190	399368998	/nfs/dbraw/zinc/36/89/98/399368998.db2.gz	DIAZHQGCOHWQKL-ZDUSSCGKSA-N	0	3	302.365	2.791	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@@H](O)COc2ccccc2C#N)CC12CCC2	ZINC000601958944	399369198	/nfs/dbraw/zinc/36/91/98/399369198.db2.gz	PJOIIBDMXYAHIN-AEFFLSMTSA-N	0	3	314.429	2.808	20	30		DFEDHN
Cc1c([C@@H](C)NC2CCN(CC#N)CC2)cnn1C(C)(C)C	ZINC000615756406	399380707	/nfs/dbraw/zinc/38/07/07/399380707.db2.gz	JAWJNXVNOZTBCQ-CYBMUJFWSA-N	0	3	303.454	2.585	20	30		DFEDHN
C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc(C#N)c1	ZINC000285139490	218306080	/nfs/dbraw/zinc/30/60/80/218306080.db2.gz	ONNCEIXRQHAWKF-ZDUSSCGKSA-N	0	3	306.431	2.566	20	30		DFEDHN
CCOC1CC2(C1)CCN(Cc1ccc(C#N)cc1OC)C2	ZINC000285344880	218390044	/nfs/dbraw/zinc/39/00/44/218390044.db2.gz	AGOSYLKLUCDADW-UHFFFAOYSA-N	0	3	300.402	2.958	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(C#N)c1	ZINC000610655820	399389468	/nfs/dbraw/zinc/38/94/68/399389468.db2.gz	HRWSDAFWOKGGEB-HEHGZKQESA-N	0	3	312.417	2.544	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)C1	ZINC000623494645	399401868	/nfs/dbraw/zinc/40/18/68/399401868.db2.gz	YFAIEAZRHXLXGL-MRXNPFEDSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H](CO)CCF)cc1OC	ZINC000623560598	399416645	/nfs/dbraw/zinc/41/66/45/399416645.db2.gz	LPDCBGKSXBPYEA-GFCCVEGCSA-N	0	3	317.788	2.724	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(OC)c(C#N)c1)CC1CC1	ZINC000610992221	399425916	/nfs/dbraw/zinc/42/59/16/399425916.db2.gz	LSNIUSXVOJVHDL-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
CC(C)[C@H](CO)N(Cc1ccccc1)Cc1ccnc(C#N)c1	ZINC000610994874	399427251	/nfs/dbraw/zinc/42/72/51/399427251.db2.gz	XLPSYRRNJCNEDL-IBGZPJMESA-N	0	3	309.413	2.972	20	30		DFEDHN
CCc1nc(CN2CCN(C[C@H](C)CCC#N)CC2)cs1	ZINC000602457097	399449770	/nfs/dbraw/zinc/44/97/70/399449770.db2.gz	ZBCUSIGUVFKTGH-CQSZACIVSA-N	0	3	306.479	2.763	20	30		DFEDHN
N#Cc1cccc(CN(CCCO)[C@H]2CCc3ccccc32)n1	ZINC000602470430	399453349	/nfs/dbraw/zinc/45/33/49/399453349.db2.gz	YPHLYVPZBCKTBA-IBGZPJMESA-N	0	3	307.397	2.825	20	30		DFEDHN
C[C@@H](CCC#N)CNc1ccccc1CN1CCC(O)CC1	ZINC000602488042	399459955	/nfs/dbraw/zinc/45/99/55/399459955.db2.gz	RIDNQJZSJUMIED-HNNXBMFYSA-N	0	3	301.434	2.995	20	30		DFEDHN
C[C@H](CCC#N)CNc1cccc(CN2CCN(C)CC2)c1	ZINC000602485901	399458816	/nfs/dbraw/zinc/45/88/16/399458816.db2.gz	APFJYUFJFFMMBZ-MRXNPFEDSA-N	0	3	300.450	2.786	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@H](c1ccco1)N(C)C	ZINC000602499668	399461088	/nfs/dbraw/zinc/46/10/88/399461088.db2.gz	RVWLGZPEQCFJCQ-HUUCEWRRSA-N	0	3	305.422	2.571	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000623779887	399464672	/nfs/dbraw/zinc/46/46/72/399464672.db2.gz	SWISNYPDPXJBTG-ZIAGYGMSSA-N	0	3	316.401	2.731	20	30		DFEDHN
CC(C)(CNCc1cccc(C#N)n1)c1ccc2c(c1)OCO2	ZINC000602526438	399467890	/nfs/dbraw/zinc/46/78/90/399467890.db2.gz	WTRXJLFWDVLLKP-UHFFFAOYSA-N	0	3	309.369	2.749	20	30		DFEDHN
C[C@H](CCc1ccc2c(c1)OCO2)NCc1cccc(C#N)n1	ZINC000602524617	399467961	/nfs/dbraw/zinc/46/79/61/399467961.db2.gz	NJROGZQALBWEIB-CYBMUJFWSA-N	0	3	309.369	2.793	20	30		DFEDHN
C[C@H](NCCn1cnc2ccccc2c1=O)c1cccc(C#N)c1	ZINC000611386324	399469004	/nfs/dbraw/zinc/46/90/04/399469004.db2.gz	IBSUROJVWZXIPD-AWEZNQCLSA-N	0	3	318.380	2.619	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1	ZINC000611389332	399469429	/nfs/dbraw/zinc/46/94/29/399469429.db2.gz	SMGUPVNLXNLADM-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2	ZINC000611394226	399470214	/nfs/dbraw/zinc/47/02/14/399470214.db2.gz	WJSTYELOIOAXTC-WBVHZDCISA-N	0	3	321.428	2.694	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@@H](CC1CC1)c1ccccc1	ZINC000611395409	399470346	/nfs/dbraw/zinc/47/03/46/399470346.db2.gz	KFOLCTBWHAXFPQ-SFHVURJKSA-N	0	3	324.428	2.773	20	30		DFEDHN
N#CCN1CCC(NCc2cc(Cl)cc(Cl)c2N)CC1	ZINC000602537252	399470609	/nfs/dbraw/zinc/47/06/09/399470609.db2.gz	BSPJZPDZPPTIRU-UHFFFAOYSA-N	0	3	313.232	2.653	20	30		DFEDHN
C[C@@H](NCc1ccnc(C#N)c1)c1ccc(-n2cccn2)cc1	ZINC000611402023	399470880	/nfs/dbraw/zinc/47/08/80/399470880.db2.gz	FBFBORPMHZGTIM-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(C2CCOCC2)c1	ZINC000602547493	399472249	/nfs/dbraw/zinc/47/22/49/399472249.db2.gz	PUZKLWNZWXRYMZ-INIZCTEOSA-N	0	3	301.390	2.540	20	30		DFEDHN
CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@H](N)CCCC#N	ZINC000602551386	399474104	/nfs/dbraw/zinc/47/41/04/399474104.db2.gz	JEOVOYUKIHQTEO-JKSUJKDBSA-N	0	3	317.408	2.941	20	30		DFEDHN
N#Cc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccn1	ZINC000611433589	399476292	/nfs/dbraw/zinc/47/62/92/399476292.db2.gz	YEODNIIVZTWBCL-LJQANCHMSA-N	0	3	321.380	2.965	20	30		DFEDHN
C[C@H](NCc1cccn(C(F)F)c1=O)c1cccc(C#N)c1	ZINC000602571098	399478513	/nfs/dbraw/zinc/47/85/13/399478513.db2.gz	VFHMGKXRYLYADD-NSHDSACASA-N	0	3	303.312	2.966	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1c[nH]c2c1cccc2Cl	ZINC000602576588	399481019	/nfs/dbraw/zinc/48/10/19/399481019.db2.gz	OUHZXXYIIMCCIO-CQSZACIVSA-N	0	3	318.808	2.501	20	30		DFEDHN
Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC(C#N)CC2)cc1	ZINC000602617468	399491870	/nfs/dbraw/zinc/49/18/70/399491870.db2.gz	SPYIUQMSWAVCGH-FHERZECASA-N	0	3	320.458	2.829	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@H]1NCc1cccc(C#N)n1	ZINC000602639865	399499774	/nfs/dbraw/zinc/49/97/74/399499774.db2.gz	BSWQXFNHCXWSAM-JKSUJKDBSA-N	0	3	301.390	2.555	20	30		DFEDHN
Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)n1	ZINC000602656535	399504572	/nfs/dbraw/zinc/50/45/72/399504572.db2.gz	ZEQKHGRZEKHGNL-FUCXHRTASA-N	0	3	307.401	2.597	20	30		DFEDHN
CN(C)CCN(Cc1cccc(F)c1)Cc1cccc(C#N)n1	ZINC000602656000	399504981	/nfs/dbraw/zinc/50/49/81/399504981.db2.gz	JZSKMZQOCLTAJJ-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C[C@@H](CCC#N)CNCc1ccncc1OC[C@H]1CCOC1	ZINC000602660926	399507227	/nfs/dbraw/zinc/50/72/27/399507227.db2.gz	BKMUAHVTCJLFPJ-GJZGRUSLSA-N	0	3	303.406	2.526	20	30		DFEDHN
CC[C@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21	ZINC000602672419	399514016	/nfs/dbraw/zinc/51/40/16/399514016.db2.gz	YIAUWYJBEDCOAF-LJQANCHMSA-N	0	3	307.397	2.921	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)[nH]2)N2CCCC2)cc1	ZINC000119729261	195026862	/nfs/dbraw/zinc/02/68/62/195026862.db2.gz	QKIRNROWPZZEFC-GOSISDBHSA-N	0	3	322.412	2.762	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)c1	ZINC000119741947	195027718	/nfs/dbraw/zinc/02/77/18/195027718.db2.gz	QYPGTZACXYTJLT-KXBFYZLASA-N	0	3	319.408	2.809	20	30		DFEDHN
C=C(CNC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1	ZINC000287783148	335047881	/nfs/dbraw/zinc/04/78/81/335047881.db2.gz	ARDDVOLRORHAMI-GOSISDBHSA-N	0	3	313.445	2.970	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@@H]1COc2cc(F)ccc2C1	ZINC000602710477	399532465	/nfs/dbraw/zinc/53/24/65/399532465.db2.gz	MEDJUDUNRDHQNI-CJNGLKHVSA-N	0	3	318.392	2.818	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CCCN(C(C)C)CC1)c1ccccc1	ZINC000270173247	208239421	/nfs/dbraw/zinc/23/94/21/208239421.db2.gz	BSQZEZXANKQGQP-SFHVURJKSA-N	0	3	313.445	2.877	20	30		DFEDHN
COc1ncc(Br)cc1CNC[C@H](C)CCC#N	ZINC000602722314	399540315	/nfs/dbraw/zinc/54/03/15/399540315.db2.gz	BFGVLGXWJJYJQE-SNVBAGLBSA-N	0	3	312.211	2.882	20	30		DFEDHN
C=C(C)C[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)OC	ZINC000602733662	399546967	/nfs/dbraw/zinc/54/69/67/399546967.db2.gz	KLYSMFCXHCUVSX-SZMVWBNQSA-N	0	3	316.445	2.919	20	30		DFEDHN
N#CC1(c2ccc(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1	ZINC000602738714	399549442	/nfs/dbraw/zinc/54/94/42/399549442.db2.gz	QRXAEUHUOPFBLM-DZGCQCFKSA-N	0	3	324.346	2.844	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1cccc2c1CCOC2	ZINC000602743019	399552557	/nfs/dbraw/zinc/55/25/57/399552557.db2.gz	SIYHTNLPHAQYKY-HNNXBMFYSA-N	0	3	314.429	2.948	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000629278854	399560420	/nfs/dbraw/zinc/56/04/20/399560420.db2.gz	AJJLFWUPTPCYAY-YESZJQIVSA-N	0	3	306.450	2.513	20	30		DFEDHN
N#Cc1c(N2CCN(C3CCCCC3)CC2)nc2ccccn12	ZINC000272923230	210309773	/nfs/dbraw/zinc/30/97/73/210309773.db2.gz	QUGXDYAZHQWAON-UHFFFAOYSA-N	0	3	309.417	2.661	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](CCC)c1ccc(OC)cc1	ZINC000272926654	210312397	/nfs/dbraw/zinc/31/23/97/210312397.db2.gz	YVSRLEQNJQTZEX-INIZCTEOSA-N	0	3	311.447	2.727	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)CCc1nccs1	ZINC000158018023	197236467	/nfs/dbraw/zinc/23/64/67/197236467.db2.gz	QLJAJRKJOSMDKV-UHFFFAOYSA-N	0	3	314.414	2.518	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)NC2CCN(C)CC2)cc1C#N	ZINC000157670045	197207070	/nfs/dbraw/zinc/20/70/70/197207070.db2.gz	PUGBDUOCOUTGED-UHFFFAOYSA-N	0	3	316.405	2.561	20	30		DFEDHN
CC1(C)CN(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1	ZINC000602791371	399575696	/nfs/dbraw/zinc/57/56/96/399575696.db2.gz	AKNMHWQEWQFQOU-UHFFFAOYSA-N	0	3	300.450	2.770	20	30		DFEDHN
C[C@@H]1CN(CC2(CC#N)CC2)[C@@H](C)CN1CC1(CC#N)CC1	ZINC000602796899	399578105	/nfs/dbraw/zinc/57/81/05/399578105.db2.gz	ARBIAVRSVDDTHY-IYBDPMFKSA-N	0	3	300.450	2.769	20	30		DFEDHN
Cc1cccc(NC(=O)[C@H]2CCCN(CC3(CC#N)CC3)C2)n1	ZINC000602790194	399574948	/nfs/dbraw/zinc/57/49/48/399574948.db2.gz	CDNPTLPILSOLIL-HNNXBMFYSA-N	0	3	312.417	2.734	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)CCc1nccs1	ZINC000157440734	197187529	/nfs/dbraw/zinc/18/75/29/197187529.db2.gz	APDLTXZFGUWBAE-UHFFFAOYSA-N	0	3	314.414	2.518	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156495292	197118039	/nfs/dbraw/zinc/11/80/39/197118039.db2.gz	KONHNGDVCYZTBU-YESZJQIVSA-N	0	3	302.418	2.727	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1	ZINC000120383446	195155854	/nfs/dbraw/zinc/15/58/54/195155854.db2.gz	ATLZXKZTKHUWKL-RYUDHWBXSA-N	0	3	321.371	2.687	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(F)c(F)c1	ZINC000288168553	335053566	/nfs/dbraw/zinc/05/35/66/335053566.db2.gz	MNIOVMDZVRXMES-NHYWBVRUSA-N	0	3	311.376	2.831	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2cc(Cl)ccc2OC)C1	ZINC000625699663	399615933	/nfs/dbraw/zinc/61/59/33/399615933.db2.gz	CDDJMQGZIVSMTK-CYBMUJFWSA-N	0	3	322.836	2.863	20	30		DFEDHN
N#CCCCCN1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000602884191	399616334	/nfs/dbraw/zinc/61/63/34/399616334.db2.gz	VXGQQNRHFVCKOW-ZDUSSCGKSA-N	0	3	324.222	2.991	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000625700765	399616874	/nfs/dbraw/zinc/61/68/74/399616874.db2.gz	LJVHOLDZCGQVDB-ISOUWHGUSA-N	0	3	302.462	2.969	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)cc1	ZINC000271569146	209022039	/nfs/dbraw/zinc/02/20/39/209022039.db2.gz	VLAKKUVRVAMLIW-BXUZGUMPSA-N	0	3	301.308	2.663	20	30		DFEDHN
C=CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261450	399618772	/nfs/dbraw/zinc/61/87/72/399618772.db2.gz	SILJFYPPMFTJBT-STQMWFEESA-N	0	3	304.390	2.587	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000288506295	335055821	/nfs/dbraw/zinc/05/58/21/335055821.db2.gz	OOFKFUYNCDXWEI-INIZCTEOSA-N	0	3	305.422	2.563	20	30		DFEDHN
CSC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000602920652	399626527	/nfs/dbraw/zinc/62/65/27/399626527.db2.gz	XZIICCLJKFVQKV-UHFFFAOYSA-N	0	3	309.460	2.776	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)CCN1C	ZINC000289636423	221119678	/nfs/dbraw/zinc/11/96/78/221119678.db2.gz	FKZWTQUTONIQED-RISCZKNCSA-N	0	3	304.369	2.644	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)CCN1C	ZINC000289636427	221119874	/nfs/dbraw/zinc/11/98/74/221119874.db2.gz	FKZWTQUTONIQED-SMDDNHRTSA-N	0	3	304.369	2.644	20	30		DFEDHN
CC[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000602925190	399629073	/nfs/dbraw/zinc/62/90/73/399629073.db2.gz	ISSIVFBLIBEAAI-QZTJIDSGSA-N	0	3	317.408	2.849	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1	ZINC000612355758	399631018	/nfs/dbraw/zinc/63/10/18/399631018.db2.gz	XWFUDJWIWKBCDR-SJLPKXTDSA-N	0	3	314.433	2.625	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(O)c1	ZINC000289795318	221231363	/nfs/dbraw/zinc/23/13/63/221231363.db2.gz	MHZFCGOPWRQPBW-UHFFFAOYSA-N	0	3	309.413	2.828	20	30		DFEDHN
C#Cc1ccc(CNCc2ccc(N3CCO[C@H](C)C3)nc2)cc1	ZINC000289349898	335058145	/nfs/dbraw/zinc/05/81/45/335058145.db2.gz	XHRIHNKCARSFFO-MRXNPFEDSA-N	0	3	321.424	2.578	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1	ZINC000290017134	221382049	/nfs/dbraw/zinc/38/20/49/221382049.db2.gz	ASGWXAPMLDFGMV-GOSISDBHSA-N	0	3	317.408	2.729	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](O)[C@H]2CCCC[C@H]21	ZINC000602997035	399653577	/nfs/dbraw/zinc/65/35/77/399653577.db2.gz	BBYLVXCYZCEIIJ-BBWFWOEESA-N	0	3	300.402	2.562	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21	ZINC000602997138	399654643	/nfs/dbraw/zinc/65/46/43/399654643.db2.gz	CYTSPQPWMUVPBV-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603072476	399671922	/nfs/dbraw/zinc/67/19/22/399671922.db2.gz	IBEBMODPWIBGJY-LBPRGKRZSA-N	0	3	318.396	2.891	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCc3nnc(CC)n3C2)cc1	ZINC000624356600	399651954	/nfs/dbraw/zinc/65/19/54/399651954.db2.gz	GSFHXMJXGYBYIZ-HNNXBMFYSA-N	0	3	312.417	2.510	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1	ZINC000625900160	399680240	/nfs/dbraw/zinc/68/02/40/399680240.db2.gz	MBKKQEPMDHHMSJ-PBHICJAKSA-N	0	3	315.417	2.777	20	30		DFEDHN
CN(c1ccccc1CNCC(C)(C)C#N)C1CCN(C)CC1	ZINC000612588275	399683344	/nfs/dbraw/zinc/68/33/44/399683344.db2.gz	XODFXAUBDSGJPH-UHFFFAOYSA-N	0	3	314.477	2.856	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1	ZINC000625939136	399693669	/nfs/dbraw/zinc/69/36/69/399693669.db2.gz	MQBZYELKQSIFGO-CYBMUJFWSA-N	0	3	301.390	2.599	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603080556	399676318	/nfs/dbraw/zinc/67/63/18/399676318.db2.gz	IRRNMRQWJGPWRB-UHFFFAOYSA-N	0	3	304.369	2.551	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)c1cnn(CCN(C)C)c1	ZINC000632882711	399779460	/nfs/dbraw/zinc/77/94/60/399779460.db2.gz	JSYLLDABKZHHJN-UHFFFAOYSA-N	0	3	312.417	2.816	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	ZINC000279947969	130772432	/nfs/dbraw/zinc/77/24/32/130772432.db2.gz	OOQUVTZMYPRHIG-GFCCVEGCSA-N	0	3	302.340	2.798	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000289597995	335064715	/nfs/dbraw/zinc/06/47/15/335064715.db2.gz	SSSGNBOFGZTOKQ-IBGZPJMESA-N	0	3	306.409	2.630	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)Nc1cnc2c(c1)CNCC2	ZINC000632951382	399806046	/nfs/dbraw/zinc/80/60/46/399806046.db2.gz	UWNSMZLCPPVPMO-UHFFFAOYSA-N	0	3	302.422	2.841	20	30		DFEDHN
Cc1cccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000603842855	399807810	/nfs/dbraw/zinc/80/78/10/399807810.db2.gz	RIOVGMMUACFLIR-IBGZPJMESA-N	0	3	324.424	2.933	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc3[nH]ccc32)CC1	ZINC000633042075	399829646	/nfs/dbraw/zinc/82/96/46/399829646.db2.gz	QOSCYQZYHXKKOG-UHFFFAOYSA-N	0	3	312.417	2.618	20	30		DFEDHN
C#CCN(CCCCOc1c(OC)cccc1OC)C1CC1	ZINC000290069853	335068343	/nfs/dbraw/zinc/06/83/43/335068343.db2.gz	VZEHSKLRHPUVQH-UHFFFAOYSA-N	0	3	303.402	2.960	20	30		DFEDHN
OCC1([C@H](NCC#Cc2ccccc2)C2CCOCC2)CCC1	ZINC000425546524	335067859	/nfs/dbraw/zinc/06/78/59/335067859.db2.gz	RZJRDWBUIYUUAD-LJQANCHMSA-N	0	3	313.441	2.586	20	30		DFEDHN
C=CCCCCCCNCc1c(C)nn(C)c1N1CCOCC1	ZINC000290122019	335069394	/nfs/dbraw/zinc/06/93/94/335069394.db2.gz	MEEVFSLWQRSTMK-UHFFFAOYSA-N	0	3	320.481	2.791	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCc2ccc(Br)cc21	ZINC000271997339	542966369	/nfs/dbraw/zinc/96/63/69/542966369.db2.gz	JUWVHQRSUDDREV-AWEZNQCLSA-N	0	3	323.234	2.718	20	30		DFEDHN
CC(C)[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1	ZINC000173860891	145357963	/nfs/dbraw/zinc/35/79/63/145357963.db2.gz	WBKOVLQOGFKTRS-MRXNPFEDSA-N	0	3	317.458	2.960	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc3ccn(C)c3c2)CC1	ZINC000630943697	399951244	/nfs/dbraw/zinc/95/12/44/399951244.db2.gz	SNEZZQMKRQWHAH-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
CC1(C)CC(=O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000628681769	400046753	/nfs/dbraw/zinc/04/67/53/400046753.db2.gz	FFGCYBAVDJYCMU-INIZCTEOSA-N	0	3	312.413	2.977	20	30		DFEDHN
C=CCCC1(CNCc2cn(C[C@H]3CCOC3)nn2)CCCC1	ZINC000631169611	399994783	/nfs/dbraw/zinc/99/47/83/399994783.db2.gz	HFZOPPONOGBKRI-MRXNPFEDSA-N	0	3	318.465	2.931	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C(C)C	ZINC000631274405	400016176	/nfs/dbraw/zinc/01/61/76/400016176.db2.gz	KYALEJZCTGBVMU-LMMKCTJWSA-N	0	3	320.477	2.760	20	30		DFEDHN
CC1(C(=O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1	ZINC000629003725	400070919	/nfs/dbraw/zinc/07/09/19/400070919.db2.gz	VWTSFYZLVOKVTH-INIZCTEOSA-N	0	3	323.396	2.506	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000245428312	146069547	/nfs/dbraw/zinc/06/95/47/146069547.db2.gz	MLVBKUMBMSWLBT-ZTNFWEORSA-N	0	3	322.408	2.991	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000250375506	146211524	/nfs/dbraw/zinc/21/15/24/146211524.db2.gz	NLMXKYOUHQGKIQ-GPMSIDNRSA-N	0	3	313.445	2.632	20	30		DFEDHN
N#Cc1cc2c(nc1NC[C@@H]1NCCc3ccccc31)CCC2	ZINC000261882489	146294437	/nfs/dbraw/zinc/29/44/37/146294437.db2.gz	MQLSNZYLSOAGKV-SFHVURJKSA-N	0	3	304.397	2.741	20	30		DFEDHN
C#CCN(Cc1ccccc1)C[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000491677169	543407201	/nfs/dbraw/zinc/40/72/01/543407201.db2.gz	PZHIDYCEVCAEBY-PKOBYXMFSA-N	0	3	309.413	2.633	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCCN1C	ZINC000354615644	147092010	/nfs/dbraw/zinc/09/20/10/147092010.db2.gz	QJDFHINJRZGPTF-BLLLJJGKSA-N	0	3	317.408	2.574	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)n1	ZINC000355468556	147327678	/nfs/dbraw/zinc/32/76/78/147327678.db2.gz	MGVBNBJYTWCOSN-HKUYNNGSSA-N	0	3	318.424	2.879	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C	ZINC000357680316	148081073	/nfs/dbraw/zinc/08/10/73/148081073.db2.gz	LZCHDCFQYUXSEV-GXFFZTMASA-N	0	3	306.797	2.816	20	30		DFEDHN
C[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F	ZINC000358571624	148388319	/nfs/dbraw/zinc/38/83/19/148388319.db2.gz	OVYDSLGPDACIBQ-KFWWJZLASA-N	0	3	319.424	2.847	20	30		DFEDHN
Cc1c([C@H]2CCCN2CCOc2ccccc2C#N)cnn1C	ZINC000361070110	149022068	/nfs/dbraw/zinc/02/20/68/149022068.db2.gz	MUBJOIOQJIJUGW-QGZVFWFLSA-N	0	3	310.401	2.816	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(O[C@H]2CCOC2)CC1	ZINC000361436731	149116356	/nfs/dbraw/zinc/11/63/56/149116356.db2.gz	BGSSROBSIVKQMH-KSSFIOAISA-N	0	3	300.402	2.889	20	30		DFEDHN
COc1cnccc1N1CCN([C@H](C)c2ccc(C#N)cc2)CC1	ZINC000361530535	149140700	/nfs/dbraw/zinc/14/07/00/149140700.db2.gz	KHIJFOQRCORCDQ-OAHLLOKOSA-N	0	3	322.412	2.845	20	30		DFEDHN
C[C@@](CO)(CNCc1cc(C#N)cs1)Cc1ccccc1	ZINC000361737345	149204937	/nfs/dbraw/zinc/20/49/37/149204937.db2.gz	NSKBFUIROCNADA-KRWDZBQOSA-N	0	3	300.427	2.951	20	30		DFEDHN
CC(C)O[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000361898375	149250235	/nfs/dbraw/zinc/25/02/35/149250235.db2.gz	BTNJQYCAUXDMLZ-HZPDHXFCSA-N	0	3	312.417	2.888	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](C2CCOCC2)C1	ZINC000371414667	150041970	/nfs/dbraw/zinc/04/19/70/150041970.db2.gz	KMMOPKPJWNWYEK-INIZCTEOSA-N	0	3	300.402	2.815	20	30		DFEDHN
Cc1ccnc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1C#N	ZINC000371691687	150081176	/nfs/dbraw/zinc/08/11/76/150081176.db2.gz	CACMKIHSBKUVLM-ZMSDIMECSA-N	0	3	314.433	2.563	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)SCC(=O)N2C	ZINC000371788891	150095716	/nfs/dbraw/zinc/09/57/16/150095716.db2.gz	PJTGNJQBDYCNCL-CYBMUJFWSA-N	0	3	315.442	2.617	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@H](O)c3ccccc3C2)c1	ZINC000373126006	150235902	/nfs/dbraw/zinc/23/59/02/150235902.db2.gz	PCPDQAZWTNTDOT-IBGZPJMESA-N	0	3	308.381	2.876	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(C)C1CCN(c2ccncc2)CC1	ZINC000373860978	150269224	/nfs/dbraw/zinc/26/92/24/150269224.db2.gz	WFDQITZOGUUPGX-UHFFFAOYSA-N	0	3	324.384	2.596	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1C#N	ZINC000374204117	150322117	/nfs/dbraw/zinc/32/21/17/150322117.db2.gz	IHONAMLOFKGTGP-OIISXLGYSA-N	0	3	300.402	2.812	20	30		DFEDHN
COc1ccc([C@@H](O)[C@H]2CCCN2Cc2ccc(C#N)o2)cc1	ZINC000374256238	150331422	/nfs/dbraw/zinc/33/14/22/150331422.db2.gz	NAWUHNYUMPVXBZ-QZTJIDSGSA-N	0	3	312.369	2.858	20	30		DFEDHN
C[C@H]1[C@@H](NCc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1	ZINC000374265687	150333323	/nfs/dbraw/zinc/33/33/23/150333323.db2.gz	OOEUEUQKEUFBFZ-KXBFYZLASA-N	0	3	319.408	2.837	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000265961408	286296431	/nfs/dbraw/zinc/29/64/31/286296431.db2.gz	JDCQMFJFRANDKC-BMGDILEWSA-N	0	3	314.429	2.871	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCOCC2	ZINC000185650390	158067262	/nfs/dbraw/zinc/06/72/62/158067262.db2.gz	AOOZEFKAMAAFMR-HUUCEWRRSA-N	0	3	306.431	2.684	20	30		DFEDHN
C[C@@H](NCc1ccncc1OCCN(C)C)c1cccc(C#N)c1	ZINC000343934791	158224142	/nfs/dbraw/zinc/22/41/42/158224142.db2.gz	OJMDWOLEQOMUOZ-OAHLLOKOSA-N	0	3	324.428	2.744	20	30		DFEDHN
C[C@H](NCCCOC[C@H]1CCCO1)c1ccc(C#N)cc1F	ZINC000358580585	158390797	/nfs/dbraw/zinc/39/07/97/158390797.db2.gz	YDKWDZJZXZYOAV-DZGCQCFKSA-N	0	3	306.381	2.934	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(C#N)c1	ZINC000362033808	287059362	/nfs/dbraw/zinc/05/93/62/287059362.db2.gz	VPRDLKFMMRVUAQ-RDTXWAMCSA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccco1	ZINC000129541730	196056266	/nfs/dbraw/zinc/05/62/66/196056266.db2.gz	AOXGIVWFQUMHCT-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NCc2ccc(C#N)o2)CC1	ZINC000131087763	196138259	/nfs/dbraw/zinc/13/82/59/196138259.db2.gz	JKOHZLUJAQGMTO-AWEZNQCLSA-N	0	3	310.401	2.861	20	30		DFEDHN
CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C)CC1	ZINC000131558473	196180370	/nfs/dbraw/zinc/18/03/70/196180370.db2.gz	XOYQYQRCVIJAQY-UHFFFAOYSA-N	0	3	300.406	2.660	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1	ZINC000131962612	196214551	/nfs/dbraw/zinc/21/45/51/196214551.db2.gz	POBDWYNLDHQRFE-MOPGFXCFSA-N	0	3	307.397	2.606	20	30		DFEDHN
Cc1oc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c(C#N)c1C	ZINC000132613807	196271089	/nfs/dbraw/zinc/27/10/89/196271089.db2.gz	LXBNVOMNDHMFEC-ZDUSSCGKSA-N	0	3	319.405	2.642	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCOC3)CC1	ZINC000667849802	543691903	/nfs/dbraw/zinc/69/19/03/543691903.db2.gz	YDQHUYHSGDUHST-UHFFFAOYSA-N	0	3	315.417	2.531	20	30		DFEDHN
C=CCc1cc(CN2C[C@]3(C)COC[C@]3(C)C2)cc(OC)c1O	ZINC000668516073	543817503	/nfs/dbraw/zinc/81/75/03/543817503.db2.gz	WKSJHWGVJZVNFR-KDURUIRLSA-N	0	3	317.429	2.988	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@H]1CCc2c1cccc2O	ZINC000296733995	226176003	/nfs/dbraw/zinc/17/60/03/226176003.db2.gz	OCIIQLAFEFOOBY-INIZCTEOSA-N	0	3	324.380	2.928	20	30		DFEDHN
CCC#C[C@H](C)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000671700530	544098659	/nfs/dbraw/zinc/09/86/59/544098659.db2.gz	ZRAIJFYMCVCWDL-QWHCGFSZSA-N	0	3	304.356	2.569	20	30		DFEDHN
C=CCc1cc(CN(C)[C@H](CO)CC(C)C)cc(OC)c1O	ZINC000290650158	335074288	/nfs/dbraw/zinc/07/42/88/335074288.db2.gz	ZBVTYAIUKNORPZ-INIZCTEOSA-N	0	3	307.434	2.968	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@](CO)(c2ccccc2)C1	ZINC000291265925	222271198	/nfs/dbraw/zinc/27/11/98/222271198.db2.gz	PDEYAAOWDRCJGM-HXUWFJFHSA-N	0	3	322.408	2.573	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2ccncc2)CC1	ZINC000674154534	544223450	/nfs/dbraw/zinc/22/34/50/544223450.db2.gz	PCWFFAOWJZXHAB-OAHLLOKOSA-N	0	3	316.449	2.525	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000674306971	544230689	/nfs/dbraw/zinc/23/06/89/544230689.db2.gz	CWDBDEVNXIIZDE-FUHWJXTLSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccnc(SC)c2)CC1	ZINC000678104228	544601591	/nfs/dbraw/zinc/60/15/91/544601591.db2.gz	ITFNZOJQBUTQER-UHFFFAOYSA-N	0	3	320.462	2.966	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@H]3CCCC[C@H]32)cc1	ZINC000299348134	229065007	/nfs/dbraw/zinc/06/50/07/229065007.db2.gz	BPWIRVOYVMNNRJ-QZTJIDSGSA-N	0	3	311.429	2.829	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)CC1CCN(C)CC1	ZINC000291934979	335085107	/nfs/dbraw/zinc/08/51/07/335085107.db2.gz	MWHINBZVGXSVRL-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
N#Cc1ccc(NCCCN2CCN(c3ccncc3)CC2)cc1	ZINC000299607421	229257247	/nfs/dbraw/zinc/25/72/47/229257247.db2.gz	WUSYOJQHCUKSJS-UHFFFAOYSA-N	0	3	321.428	2.577	20	30		DFEDHN
COCC#CCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1	ZINC000679174929	544795717	/nfs/dbraw/zinc/79/57/17/544795717.db2.gz	KBYHUWYTNZYAAV-MRXNPFEDSA-N	0	3	316.449	2.682	20	30		DFEDHN
COCC#CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1	ZINC000679174929	544795722	/nfs/dbraw/zinc/79/57/22/544795722.db2.gz	KBYHUWYTNZYAAV-MRXNPFEDSA-N	0	3	316.449	2.682	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(C)CCC(F)(F)CC2)CC1	ZINC000680276346	544983102	/nfs/dbraw/zinc/98/31/02/544983102.db2.gz	ALNHTIVSGUEVBS-UHFFFAOYSA-N	0	3	315.408	2.904	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCSc3ccccc32)CC1	ZINC000057137292	425896320	/nfs/dbraw/zinc/89/63/20/425896320.db2.gz	ZDEWLUUKPRIXFS-INIZCTEOSA-N	0	3	314.454	2.685	20	30		DFEDHN
C=CCN(CCC(=O)NC1CCCC1)Cc1cccc(C#N)c1	ZINC000063299758	425900716	/nfs/dbraw/zinc/90/07/16/425900716.db2.gz	DNXUTCKPJXVQRE-UHFFFAOYSA-N	0	3	311.429	2.995	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1C1CCCCC1	ZINC000065588933	425902924	/nfs/dbraw/zinc/90/29/24/425902924.db2.gz	UOOHZYCBJSANJH-QGZVFWFLSA-N	0	3	316.449	2.687	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)cc2)C1	ZINC000067203633	425909276	/nfs/dbraw/zinc/90/92/76/425909276.db2.gz	ILYLXRXUHJEMTL-QGZVFWFLSA-N	0	3	305.381	2.691	20	30		DFEDHN
COC(=O)c1ccc(N2CCN(CCCCC#N)[C@H](C)C2)cc1	ZINC000102400573	425919879	/nfs/dbraw/zinc/91/98/79/425919879.db2.gz	YNORLUDAJXKNBC-OAHLLOKOSA-N	0	3	315.417	2.678	20	30		DFEDHN
CC#CCCN(C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000155726900	425925334	/nfs/dbraw/zinc/92/53/34/425925334.db2.gz	HTONSXHZDXXAAC-CYBMUJFWSA-N	0	3	315.335	2.790	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NCCCNCc1cccnc1	ZINC000415060509	270000216	/nfs/dbraw/zinc/00/02/16/270000216.db2.gz	URUOGLXFLXKDCP-UHFFFAOYSA-N	0	3	323.400	2.563	20	30		DFEDHN
C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000459072967	270001962	/nfs/dbraw/zinc/00/19/62/270001962.db2.gz	IWJWPHGZNVEVKL-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCc1ccc(C#N)cc1	ZINC000479308033	270001964	/nfs/dbraw/zinc/00/19/64/270001964.db2.gz	NSXQXJNQMARWHJ-UHFFFAOYSA-N	0	3	314.433	2.576	20	30		DFEDHN
C=C(C)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000156540260	425934975	/nfs/dbraw/zinc/93/49/75/425934975.db2.gz	IMWRVLRRYWPVCO-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCOC(C)(C)C1	ZINC000351935954	266105710	/nfs/dbraw/zinc/10/57/10/266105710.db2.gz	KMKXZGFEPZFIBP-MRXNPFEDSA-N	0	3	315.417	2.776	20	30		DFEDHN
CCN1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1	ZINC000352667612	266148812	/nfs/dbraw/zinc/14/88/12/266148812.db2.gz	LSTLXPNFQAGWSS-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1	ZINC000352664048	266150040	/nfs/dbraw/zinc/15/00/40/266150040.db2.gz	ARKUZZKADYAFSL-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCN1C[C@@H](C)N(CCCOc2cccc(C#N)c2)[C@H](C)C1	ZINC000347695598	266158046	/nfs/dbraw/zinc/15/80/46/266158046.db2.gz	VEJZEVJFWVCOCM-HZPDHXFCSA-N	0	3	301.434	2.742	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1cscc1C#N	ZINC000410555884	266500048	/nfs/dbraw/zinc/50/00/48/266500048.db2.gz	XGLJQSGYYVPAIB-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncs1	ZINC000338921661	266957403	/nfs/dbraw/zinc/95/74/03/266957403.db2.gz	UJLFCYOZUHYXBJ-BXUZGUMPSA-N	0	3	310.382	2.574	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416343204	267018436	/nfs/dbraw/zinc/01/84/36/267018436.db2.gz	REDRETSTFNCZIL-MSOLQXFVSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000352083566	267019949	/nfs/dbraw/zinc/01/99/49/267019949.db2.gz	ITEWMYLUMUVNRC-DOMZBBRYSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C#N)cc1OC(F)F	ZINC000351945729	267046401	/nfs/dbraw/zinc/04/64/01/267046401.db2.gz	UAGRPGWQVVBQKB-NWDGAFQWSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)ncn1	ZINC000398191384	267054986	/nfs/dbraw/zinc/05/49/86/267054986.db2.gz	ZNLSNIUPJBEXKZ-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1nc(C#N)cs1	ZINC000352899170	267056485	/nfs/dbraw/zinc/05/64/85/267056485.db2.gz	QKNBEDIEEWSOSU-CJNGLKHVSA-N	0	3	312.442	2.625	20	30		DFEDHN
CCN(CCNCc1cc(C#N)cs1)CCC(F)(F)F	ZINC000494849989	267065358	/nfs/dbraw/zinc/06/53/58/267065358.db2.gz	QGUOREUZJSUVEX-UHFFFAOYSA-N	0	3	305.369	2.984	20	30		DFEDHN
C[C@H](CN(C)C)NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000346283579	267156229	/nfs/dbraw/zinc/15/62/29/267156229.db2.gz	XKFUFEPBMPUDQX-CQSZACIVSA-N	0	3	307.397	2.905	20	30		DFEDHN
C[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCCC[C@H]1C	ZINC000337229891	267158806	/nfs/dbraw/zinc/15/88/06/267158806.db2.gz	VJPDDKKNOSTJCX-HUUCEWRRSA-N	0	3	314.433	2.620	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccc(C#N)cc1	ZINC000341258477	267214426	/nfs/dbraw/zinc/21/44/26/267214426.db2.gz	ADSQPTVYNXEWJM-KBPBESRZSA-N	0	3	300.406	2.943	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC1(C)C	ZINC000419322535	267222299	/nfs/dbraw/zinc/22/22/99/267222299.db2.gz	SJKOBJVNOXSVLA-CVEARBPZSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)ncn1	ZINC000398191391	267234733	/nfs/dbraw/zinc/23/47/33/267234733.db2.gz	ZNLSNIUPJBEXKZ-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCc1cc(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1	ZINC000450440364	267242761	/nfs/dbraw/zinc/24/27/61/267242761.db2.gz	ZAVDANDSOLGPLZ-GOSISDBHSA-N	0	3	320.396	2.545	20	30		DFEDHN
CN(C)[C@H](CNc1ncc(C#N)cc1F)c1ccc(F)cc1	ZINC000413065676	267288651	/nfs/dbraw/zinc/28/86/51/267288651.db2.gz	HALONNMZTKKHNN-OAHLLOKOSA-N	0	3	302.328	2.946	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)C1CCN(c2cnccn2)CC1	ZINC000435055475	267310814	/nfs/dbraw/zinc/31/08/14/267310814.db2.gz	IQRPDYSHDVMGDC-UHFFFAOYSA-N	0	3	313.430	2.511	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@H](CO)C(C)(C)C	ZINC000441109490	267314713	/nfs/dbraw/zinc/31/47/13/267314713.db2.gz	XRUJDQGXLAVKGP-CQSZACIVSA-N	0	3	312.360	2.998	20	30		DFEDHN
Cc1cc(N(C)C[C@H]2CCN(C)[C@@H]2c2cccnc2)cc(C#N)n1	ZINC000343018060	267333305	/nfs/dbraw/zinc/33/33/05/267333305.db2.gz	USRSMAAMJQZQKW-VQIMIIECSA-N	0	3	321.428	2.786	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000492285487	267334639	/nfs/dbraw/zinc/33/46/39/267334639.db2.gz	YFWNNKCRHQDWII-BQYQJAHWSA-N	0	3	309.413	2.658	20	30		DFEDHN
CN1CCC[C@@H](CNc2cncc(C#N)n2)[C@H]1c1cccs1	ZINC000420606643	267336659	/nfs/dbraw/zinc/33/66/59/267336659.db2.gz	XWPNKVBEOZIWGB-LRDDRELGSA-N	0	3	313.430	2.905	20	30		DFEDHN
CN1C[C@@H]2CCCN(c3ccc(C(F)(F)F)c(C#N)n3)[C@@H]2C1	ZINC000425282311	267342498	/nfs/dbraw/zinc/34/24/98/267342498.db2.gz	KPAJCFBRIRSTHN-GXFFZTMASA-N	0	3	310.323	2.502	20	30		DFEDHN
COC(=O)CCC1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000531479895	267359215	/nfs/dbraw/zinc/35/92/15/267359215.db2.gz	HCFOOTXKXCYGPI-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1F	ZINC000030670141	267394577	/nfs/dbraw/zinc/39/45/77/267394577.db2.gz	JPSLPPPYDZNMMW-UHFFFAOYSA-N	0	3	311.360	2.525	20	30		DFEDHN
COc1cc(CN2CCC(Cn3cc(C)cn3)CC2)ccc1C#N	ZINC000442886718	267579523	/nfs/dbraw/zinc/57/95/23/267579523.db2.gz	UOBWYQFLMXYPSS-UHFFFAOYSA-N	0	3	324.428	2.984	20	30		DFEDHN
Cn1cc(CCNCc2nc(C#N)cs2)c2ccc(F)cc21	ZINC000352861006	267792201	/nfs/dbraw/zinc/79/22/01/267792201.db2.gz	DTLICAFSRKHWML-UHFFFAOYSA-N	0	3	314.389	2.978	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C	ZINC000455776283	267897995	/nfs/dbraw/zinc/89/79/95/267897995.db2.gz	DZTIKGMVOCAIMO-JQWIXIFHSA-N	0	3	321.812	2.553	20	30		DFEDHN
Cc1cc(CNCCSCc2ccccc2C#N)n(C)n1	ZINC000417844863	267996668	/nfs/dbraw/zinc/99/66/68/267996668.db2.gz	QKWDVUMYKFEMQB-UHFFFAOYSA-N	0	3	300.431	2.623	20	30		DFEDHN
CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000191716530	268011606	/nfs/dbraw/zinc/01/16/06/268011606.db2.gz	IDRLHBBBRFSBDY-DCAQKATOSA-N	0	3	309.797	2.552	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)cc1	ZINC000352437259	268052309	/nfs/dbraw/zinc/05/23/09/268052309.db2.gz	DZBIDUFYXFIZID-SFHVURJKSA-N	0	3	323.440	2.677	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1	ZINC000332312020	268089338	/nfs/dbraw/zinc/08/93/38/268089338.db2.gz	MVYMTBAEXWRILI-FGTMMUONSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1	ZINC000348121576	268091945	/nfs/dbraw/zinc/09/19/45/268091945.db2.gz	MUODURPHGHYKPY-QYZOEREBSA-N	0	3	315.376	2.913	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1	ZINC000348121572	268091988	/nfs/dbraw/zinc/09/19/88/268091988.db2.gz	MUODURPHGHYKPY-GUDVDZBRSA-N	0	3	315.376	2.913	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@H]3CCCC(F)(F)C3)CC2)nc1	ZINC000338238161	268118859	/nfs/dbraw/zinc/11/88/59/268118859.db2.gz	ZFGSITOKEYIHIZ-AWEZNQCLSA-N	0	3	320.387	2.901	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000194870321	268119269	/nfs/dbraw/zinc/11/92/69/268119269.db2.gz	GFSWLLLDBGTOOJ-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)COc2ccccc2C#N)c1	ZINC000047452856	425869761	/nfs/dbraw/zinc/86/97/61/425869761.db2.gz	DKALVHONIGMSGZ-UHFFFAOYSA-N	0	3	309.369	2.637	20	30		DFEDHN
N#Cc1c(F)cccc1CNC1(CO)C2CC3CC(C2)CC1C3	ZINC000412001180	268164595	/nfs/dbraw/zinc/16/45/95/268164595.db2.gz	GEMLCHRZWZOTSP-UHFFFAOYSA-N	0	3	314.404	2.974	20	30		DFEDHN
Cc1nccn1CCCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000270638267	268194741	/nfs/dbraw/zinc/19/47/41/268194741.db2.gz	MRDWJDDOFPXCBQ-UHFFFAOYSA-N	0	3	324.428	2.997	20	30		DFEDHN
N#Cc1ccc(C2(NCc3cccc(N)c3)CCOCC2)cc1	ZINC000530233840	268211984	/nfs/dbraw/zinc/21/19/84/268211984.db2.gz	JFRCKIWVIGRPCM-UHFFFAOYSA-N	0	3	307.397	2.936	20	30		DFEDHN
N#Cc1ccc(CN2CCN(C3CCC3)CC2)c(OC(F)F)c1	ZINC000437904394	268220674	/nfs/dbraw/zinc/22/06/74/268220674.db2.gz	NTOSXGCIGVIYFC-UHFFFAOYSA-N	0	3	321.371	2.830	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCOc3ccc(F)cc3)n2c1	ZINC000343156559	268225206	/nfs/dbraw/zinc/22/52/06/268225206.db2.gz	YXBFVWPAMPUJJO-UHFFFAOYSA-N	0	3	310.332	2.514	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1cccc(C#N)c1	ZINC000270956122	268239868	/nfs/dbraw/zinc/23/98/68/268239868.db2.gz	QFNIEAMAUVPLOT-MVGZEHJDSA-N	0	3	311.429	2.760	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2cc(C#N)ccn2)cc1	ZINC000286330092	268273556	/nfs/dbraw/zinc/27/35/56/268273556.db2.gz	BJLNQDRHOWSILS-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1	ZINC000516330436	268280171	/nfs/dbraw/zinc/28/01/71/268280171.db2.gz	QNLBTFYYVLHTTC-KRWDZBQOSA-N	0	3	320.396	2.804	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC3(CCC3)[C@@H]3COC[C@H]32)c1	ZINC000459673903	268283364	/nfs/dbraw/zinc/28/33/64/268283364.db2.gz	MDHIGVFLBFZGOQ-QZTJIDSGSA-N	0	3	312.413	2.828	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@H](OCC3CC3)C2)c1	ZINC000494656813	268285076	/nfs/dbraw/zinc/28/50/76/268285076.db2.gz	XEKSBYJDQRRNLL-SFHVURJKSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@H]2CCC23CCCC3)c1	ZINC000451463326	268285827	/nfs/dbraw/zinc/28/58/27/268285827.db2.gz	XGXUOUSAEDCXBS-INIZCTEOSA-N	0	3	318.442	2.644	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1	ZINC000425229923	268293380	/nfs/dbraw/zinc/29/33/80/268293380.db2.gz	QYWZOOVEHDSBNK-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3CCCc4ccccc43)cnc12	ZINC000515876752	268318368	/nfs/dbraw/zinc/31/83/68/268318368.db2.gz	KJDSDMFCSHKAGL-KRWDZBQOSA-N	0	3	303.369	2.768	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1	ZINC000157253697	425938100	/nfs/dbraw/zinc/93/81/00/425938100.db2.gz	ZGIPNVPIPZNXDP-SJLPKXTDSA-N	0	3	314.429	2.808	20	30		DFEDHN
C[C@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000308696443	268335181	/nfs/dbraw/zinc/33/51/81/268335181.db2.gz	MVHSEXDKIKZDRA-YOEHRIQHSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2cc(C#N)ccn2)C1	ZINC000323893145	268350340	/nfs/dbraw/zinc/35/03/40/268350340.db2.gz	IJNFHMCCROSQEL-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
N#Cc1cc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000157651691	425938957	/nfs/dbraw/zinc/93/89/57/425938957.db2.gz	SJTUFNLDLPERON-UHFFFAOYSA-N	0	3	300.362	2.531	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2CC[C@@H](C(=O)OCC)C2)cc1	ZINC000125859811	425993945	/nfs/dbraw/zinc/99/39/45/425993945.db2.gz	YEYARVUZPGVGBX-SJORKVTESA-N	0	3	315.413	2.910	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1	ZINC000125898926	425995096	/nfs/dbraw/zinc/99/50/96/425995096.db2.gz	MLGPJHONCIMIJU-KRWDZBQOSA-N	0	3	320.383	2.877	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000125284006	425963440	/nfs/dbraw/zinc/96/34/40/425963440.db2.gz	UJNIAJUVXJJERH-SJLPKXTDSA-N	0	3	309.413	2.534	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cnnc3)cc2)n1	ZINC000105754011	425968905	/nfs/dbraw/zinc/96/89/05/425968905.db2.gz	ASRZFYYWZKNZEC-ZDUSSCGKSA-N	0	3	309.354	2.522	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)CSc1ccc(C#N)cc1	ZINC000110992496	426036343	/nfs/dbraw/zinc/03/63/43/426036343.db2.gz	DJOSSTFOKQGVAP-OAHLLOKOSA-N	0	3	317.458	2.641	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000127464034	426068200	/nfs/dbraw/zinc/06/82/00/426068200.db2.gz	QPGCVRGZFIVKDD-HNNXBMFYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(N(CC)CC)cc2)CC1	ZINC000072015474	426007667	/nfs/dbraw/zinc/00/76/67/426007667.db2.gz	KEBMTTHVVOFQQB-UHFFFAOYSA-N	0	3	313.445	2.817	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCN(C)C1	ZINC000108587991	426018716	/nfs/dbraw/zinc/01/87/16/426018716.db2.gz	JBKXIIORDBDEDP-SFHVURJKSA-N	0	3	315.461	2.769	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21	ZINC000163075542	426088088	/nfs/dbraw/zinc/08/80/88/426088088.db2.gz	UMNWZFOUCZTXIQ-ZOBUZTSGSA-N	0	3	314.429	2.730	20	30		DFEDHN
CC[C@H](C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163101926	426090062	/nfs/dbraw/zinc/09/00/62/426090062.db2.gz	PMCYHBIHFAMCBE-UONOGXRCSA-N	0	3	308.447	2.746	20	30		DFEDHN
C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000128053706	426099083	/nfs/dbraw/zinc/09/90/83/426099083.db2.gz	JJJUOOLYQFWCNL-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@]2(CC=CCC2)C1	ZINC000114494677	426138173	/nfs/dbraw/zinc/13/81/73/426138173.db2.gz	IHKBFRNDZODXOG-WMZOPIPTSA-N	0	3	303.450	2.817	20	30		DFEDHN
CC(C)(CCC#N)CN1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000128275413	426110192	/nfs/dbraw/zinc/11/01/92/426110192.db2.gz	LFUGZYLUJCWTGZ-OAHLLOKOSA-N	0	3	303.406	2.690	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C(C)C	ZINC000076711360	426116935	/nfs/dbraw/zinc/11/69/35/426116935.db2.gz	QTUGWEDAFXVLEY-MAUKXSAKSA-N	0	3	301.434	2.981	20	30		DFEDHN
C=CCCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000076738261	426117308	/nfs/dbraw/zinc/11/73/08/426117308.db2.gz	UUGHRZHVJQGIIC-OAHLLOKOSA-N	0	3	303.362	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(N)cc1)C(C)C	ZINC000165198073	426120384	/nfs/dbraw/zinc/12/03/84/426120384.db2.gz	BCGFEJZNJHMRSY-QGZVFWFLSA-N	0	3	301.434	2.697	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000128518928	426121231	/nfs/dbraw/zinc/12/12/31/426121231.db2.gz	WXYGBRVJQGRFTL-QGZVFWFLSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](Cn2cncn2)C1	ZINC000128542652	426122860	/nfs/dbraw/zinc/12/28/60/426122860.db2.gz	CTNVMYQXVXYIQN-INIZCTEOSA-N	0	3	312.417	2.755	20	30		DFEDHN
N#Cc1ccccc1OCCN(CCO)[C@H]1CCc2ccccc21	ZINC000114192116	426128624	/nfs/dbraw/zinc/12/86/24/426128624.db2.gz	LTNGDXNYJVAEAA-IBGZPJMESA-N	0	3	322.408	2.919	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(C)[C@H](c1ccccc1C)C(C)C	ZINC000112357866	426074604	/nfs/dbraw/zinc/07/46/04/426074604.db2.gz	CIFVTRDYSKPNLM-KRWDZBQOSA-N	0	3	317.433	2.636	20	30		DFEDHN
CCc1nn(C)c(CC)c1CNCCOc1ccc(C#N)cc1	ZINC000162927412	426082538	/nfs/dbraw/zinc/08/25/38/426082538.db2.gz	BDZOHACFKZINKD-UHFFFAOYSA-N	0	3	312.417	2.585	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)cc2)CC1	ZINC000112560127	426083122	/nfs/dbraw/zinc/08/31/22/426083122.db2.gz	WXPBGSRWKFOMKE-UHFFFAOYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1CCC(=O)Nc1ccccc1C#N	ZINC000112643939	426086536	/nfs/dbraw/zinc/08/65/36/426086536.db2.gz	UPPAPHNCJWKBJO-OLZOCXBDSA-N	0	3	303.431	2.713	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@H](CNc3ccccn3)C2)c1	ZINC000171640964	426201501	/nfs/dbraw/zinc/20/15/01/426201501.db2.gz	QULFNSMRZLUQBY-QGZVFWFLSA-N	0	3	322.412	2.766	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000116947104	426201594	/nfs/dbraw/zinc/20/15/94/426201594.db2.gz	DKNWDIFHXRVWJQ-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)NCc1ccccc1OCCN(C)C	ZINC000134993048	426202536	/nfs/dbraw/zinc/20/25/36/426202536.db2.gz	ZEVHNEUHLIEIJT-SFHVURJKSA-N	0	3	304.434	2.846	20	30		DFEDHN
C[C@@]1(O)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000129422490	426139099	/nfs/dbraw/zinc/13/90/99/426139099.db2.gz	FJPDFDYJJBVGJN-LJQANCHMSA-N	0	3	324.428	2.811	20	30		DFEDHN
CCc1c[nH]c(SCC(=O)C(C#N)c2nc(C)cs2)n1	ZINC000129396500	426139106	/nfs/dbraw/zinc/13/91/06/426139106.db2.gz	SJOOXYBODCBSTE-SNVBAGLBSA-N	0	3	306.416	2.706	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1	ZINC000114644919	426140745	/nfs/dbraw/zinc/14/07/45/426140745.db2.gz	OEWJXHGSFKDZEB-LJQANCHMSA-N	0	3	319.408	2.953	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@@H](C)C1	ZINC000129841291	426141263	/nfs/dbraw/zinc/14/12/63/426141263.db2.gz	HOIWHNOPNWGVCH-BQFCYCMXSA-N	0	3	313.445	2.873	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCSC[C@@H]1c1ccccc1	ZINC000131615727	426166480	/nfs/dbraw/zinc/16/64/80/426166480.db2.gz	SKQCWRBUSHRPMV-MRXNPFEDSA-N	0	3	317.458	2.539	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C	ZINC000115554459	426167947	/nfs/dbraw/zinc/16/79/47/426167947.db2.gz	DTIALAXTWPOWFS-SOLBZPMBSA-N	0	3	313.445	2.873	20	30		DFEDHN
Cc1cccc(C(C)(C)CN[C@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000115598611	426168816	/nfs/dbraw/zinc/16/88/16/426168816.db2.gz	RVNMRIPIMBLOCL-SFHVURJKSA-N	0	3	321.424	2.961	20	30		DFEDHN
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCN1CCCCC1	ZINC000171148201	426172996	/nfs/dbraw/zinc/17/29/96/426172996.db2.gz	LVTCBCRMSBCLGU-UHFFFAOYSA-N	0	3	317.437	2.722	20	30		DFEDHN
C=CCNC1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1	ZINC000133079564	426173181	/nfs/dbraw/zinc/17/31/81/426173181.db2.gz	TYBKXAXCEBCMNR-UHFFFAOYSA-N	0	3	304.390	2.731	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C1CC1	ZINC000133930932	426184793	/nfs/dbraw/zinc/18/47/93/426184793.db2.gz	XDQAIAMTMXFTRW-YOEHRIQHSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccncc2)CC1	ZINC000171560436	426194958	/nfs/dbraw/zinc/19/49/58/426194958.db2.gz	ZJPOWYXFPCYQHO-HNNXBMFYSA-N	0	3	316.449	2.825	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(-c3cccs3)n[nH]2)CC1	ZINC000171718425	426206513	/nfs/dbraw/zinc/20/65/13/426206513.db2.gz	CFCMUVCNAYBABZ-UHFFFAOYSA-N	0	3	316.430	2.518	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000080942335	426217619	/nfs/dbraw/zinc/21/76/19/426217619.db2.gz	HIORGBAMXQHSBE-SFHVURJKSA-N	0	3	324.428	2.710	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C	ZINC000135642644	426225266	/nfs/dbraw/zinc/22/52/66/426225266.db2.gz	YXFRKFURQLGDQZ-QGZVFWFLSA-N	0	3	310.401	2.680	20	30		DFEDHN
Cc1ccc(NC(=O)C#Cc2ccccc2)c(OCCN(C)C)c1	ZINC000081796042	426225426	/nfs/dbraw/zinc/22/54/26/426225426.db2.gz	KYIMTIRWUFWABA-UHFFFAOYSA-N	0	3	322.408	2.926	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@H]1C	ZINC000172435748	426225884	/nfs/dbraw/zinc/22/58/84/426225884.db2.gz	NPMYEDWEYYXBCL-ZBFHGGJFSA-N	0	3	307.459	2.592	20	30		DFEDHN
CN(C(=O)CN1CCC[C@@H]2CCC[C@@H]21)C1(C#N)CCCCC1	ZINC000173810168	426248608	/nfs/dbraw/zinc/24/86/08/426248608.db2.gz	CDSUDSKTUHPSID-HOTGVXAUSA-N	0	3	303.450	2.936	20	30		DFEDHN
CC(C)(O)[C@H]1CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000119069916	426259630	/nfs/dbraw/zinc/25/96/30/426259630.db2.gz	HVKIELDPIUCXEW-MRXNPFEDSA-N	0	3	311.385	2.949	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC(F)F)cc2)CC1	ZINC000171725976	426208505	/nfs/dbraw/zinc/20/85/05/426208505.db2.gz	IIEZUYLNRLFLDU-UHFFFAOYSA-N	0	3	310.344	2.668	20	30		DFEDHN
C[C@H](Cn1cc(Br)cn1)NCc1cccc(C#N)c1	ZINC000151382218	426292374	/nfs/dbraw/zinc/29/23/74/426292374.db2.gz	FYJIRMQIPDECHV-LLVKDONJSA-N	0	3	319.206	2.696	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C#N)c[nH]1	ZINC000175745775	426325467	/nfs/dbraw/zinc/32/54/67/426325467.db2.gz	UWZUJKLWXXIODO-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000090884034	426333235	/nfs/dbraw/zinc/33/32/35/426333235.db2.gz	VUJLEVGAGZVSGB-CQSZACIVSA-N	0	3	304.390	2.887	20	30		DFEDHN
C=CCCS(=O)(=O)NCC1(N2CCCCC2)CCCCC1	ZINC000119319695	426277830	/nfs/dbraw/zinc/27/78/30/426277830.db2.gz	BOGGEFNBQZZIKP-UHFFFAOYSA-N	0	3	314.495	2.671	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@](C)(CC)c2nc(C)cs2)CC1	ZINC000151137028	426280842	/nfs/dbraw/zinc/28/08/42/426280842.db2.gz	NDKKBPBTZNTILO-QGZVFWFLSA-N	0	3	319.474	2.538	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccncc2)cc1	ZINC000119407682	426286320	/nfs/dbraw/zinc/28/63/20/426286320.db2.gz	JOZQGFPELBDQNP-IEBWSBKVSA-N	0	3	323.396	2.530	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000153635304	426396675	/nfs/dbraw/zinc/39/66/75/426396675.db2.gz	WXVSTSZUXDOPPC-AEFFLSMTSA-N	0	3	300.402	2.694	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000176005040	426344985	/nfs/dbraw/zinc/34/49/85/426344985.db2.gz	FARKBFHERIMFGU-HIFRSBDPSA-N	0	3	317.458	2.857	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H]1CN1CCOCC1	ZINC000092218124	426347630	/nfs/dbraw/zinc/34/76/30/426347630.db2.gz	LVMOTNYXWJXORF-SFHVURJKSA-N	0	3	316.445	2.548	20	30		DFEDHN
N#CC(C(=O)c1cccnc1OCC(F)(F)F)c1ccccn1	ZINC000121979107	426356078	/nfs/dbraw/zinc/35/60/78/426356078.db2.gz	LHUPIOSLKKCLMF-LLVKDONJSA-N	0	3	321.258	2.908	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)CCc2cccs2)CC1	ZINC000176500247	426388442	/nfs/dbraw/zinc/38/84/42/426388442.db2.gz	PRRICRGODNLZCL-UHFFFAOYSA-N	0	3	321.490	2.973	20	30		DFEDHN
C=CCN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000153853213	426410102	/nfs/dbraw/zinc/41/01/02/426410102.db2.gz	ZHRORNUHGMBSCR-UHFFFAOYSA-N	0	3	301.434	2.787	20	30		DFEDHN
C[C@@H]1[C@@H](C)CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176880239	426421387	/nfs/dbraw/zinc/42/13/87/426421387.db2.gz	PBBHYHLGYQFUBV-VBQJREDUSA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1ccc(CNCCOc2ccc3c(c2)OCO3)s1	ZINC000176952825	426427284	/nfs/dbraw/zinc/42/72/84/426427284.db2.gz	WIZQTBNRRPFCIA-UHFFFAOYSA-N	0	3	302.355	2.517	20	30		DFEDHN
COc1cc(CNCc2cnc3ccc(C#N)cn23)ccc1C	ZINC000123479272	426436118	/nfs/dbraw/zinc/43/61/18/426436118.db2.gz	HHWRCPDLPIOAGE-UHFFFAOYSA-N	0	3	306.369	2.813	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)Nc2cccc(C#N)c2)cc1	ZINC000123530000	426438859	/nfs/dbraw/zinc/43/88/59/426438859.db2.gz	AXAGJSUEPARAST-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
CC#CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000154424609	426439883	/nfs/dbraw/zinc/43/98/83/426439883.db2.gz	CGBPNEZALXIUJX-MRXNPFEDSA-N	0	3	324.346	2.581	20	30		DFEDHN
CC[C@@H](CC#N)N[C@H](C)CCCOc1ccccc1C(N)=O	ZINC000124262381	426476918	/nfs/dbraw/zinc/47/69/18/426476918.db2.gz	WFOGXQJODIMXTI-KGLIPLIRSA-N	0	3	303.406	2.615	20	30		DFEDHN
CN(CCC1CCCCC1)CC(=O)N(CCC#N)CCC#N	ZINC000101565602	426484653	/nfs/dbraw/zinc/48/46/53/426484653.db2.gz	UGGDEHYYOMYNPT-UHFFFAOYSA-N	0	3	304.438	2.545	20	30		DFEDHN
C=C(C)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000101562969	426484928	/nfs/dbraw/zinc/48/49/28/426484928.db2.gz	ZRJBBPMKRKZEFD-MRXNPFEDSA-N	0	3	322.474	2.561	20	30		DFEDHN
CO[C@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000280229445	426526389	/nfs/dbraw/zinc/52/63/89/426526389.db2.gz	AJCLNDYQHYOTOZ-KBXCAEBGSA-N	0	3	315.417	2.776	20	30		DFEDHN
C[C@H](NCCSCc1ccccc1C#N)c1cnn(C)c1	ZINC000177821964	426527300	/nfs/dbraw/zinc/52/73/00/426527300.db2.gz	NZFDZGZYCVCOQG-ZDUSSCGKSA-N	0	3	300.431	2.876	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCCN2C)c1	ZINC000264285732	426528377	/nfs/dbraw/zinc/52/83/77/426528377.db2.gz	XQWIMBOIAAWNCM-HNNXBMFYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1	ZINC000264356682	426542243	/nfs/dbraw/zinc/54/22/43/426542243.db2.gz	FCDDXALPDMSSGZ-AWEZNQCLSA-N	0	3	305.422	2.989	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(F)c2)CC1	ZINC000264404916	426547982	/nfs/dbraw/zinc/54/79/82/426547982.db2.gz	PSGIEFRZLIRFSX-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000272525375	426549978	/nfs/dbraw/zinc/54/99/78/426549978.db2.gz	DSEPQEYXZJTVJX-PBHICJAKSA-N	0	3	317.433	2.502	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)CCc2ccco2)CC1	ZINC000264422734	426551480	/nfs/dbraw/zinc/55/14/80/426551480.db2.gz	RLRBTPHBUNKHNK-CQSZACIVSA-N	0	3	305.422	2.550	20	30		DFEDHN
CCc1cnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280330292	426551993	/nfs/dbraw/zinc/55/19/93/426551993.db2.gz	JELZMCOWVNUOEM-CQSZACIVSA-N	0	3	324.409	2.576	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1	ZINC000194877766	426495373	/nfs/dbraw/zinc/49/53/73/426495373.db2.gz	SKDDCZWZKLXOHM-LJQANCHMSA-N	0	3	321.424	2.828	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1	ZINC000186215769	426495544	/nfs/dbraw/zinc/49/55/44/426495544.db2.gz	KPQUCDZPKQPKAS-GOSISDBHSA-N	0	3	323.444	2.987	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)C[C@H](O)COCc1ccccc1	ZINC000186229325	426496351	/nfs/dbraw/zinc/49/63/51/426496351.db2.gz	UKWUAFUPKJAPPE-FQEVSTJZSA-N	0	3	324.424	2.876	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000280556573	426600601	/nfs/dbraw/zinc/60/06/01/426600601.db2.gz	FKIXXVQXHXUZBO-CYBMUJFWSA-N	0	3	311.385	2.710	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)NCCC(=O)N(C)C)cc1	ZINC000178296859	426601753	/nfs/dbraw/zinc/60/17/53/426601753.db2.gz	HRNDWFVNNBVZJG-ZDUSSCGKSA-N	0	3	310.825	2.947	20	30		DFEDHN
Cc1nccn1C[C@H]1CCCN1CCOc1ccccc1C#N	ZINC000178311817	426604484	/nfs/dbraw/zinc/60/44/84/426604484.db2.gz	KUMNSQGDGGGIMJ-QGZVFWFLSA-N	0	3	310.401	2.607	20	30		DFEDHN
CC(C)N1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000265288633	426614980	/nfs/dbraw/zinc/61/49/80/426614980.db2.gz	XOTVIFBRCAEFMJ-UHFFFAOYSA-N	0	3	312.339	2.893	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1C#N	ZINC000273236128	426622161	/nfs/dbraw/zinc/62/21/61/426622161.db2.gz	FETRAXOYVZEOPE-JKSUJKDBSA-N	0	3	302.418	2.796	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CC)C[C@@H](CC)c1ccccc1	ZINC000186601271	426562135	/nfs/dbraw/zinc/56/21/35/426562135.db2.gz	LOJVGCFALZBCMY-OAHLLOKOSA-N	0	3	317.433	2.514	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C	ZINC000187192766	426636090	/nfs/dbraw/zinc/63/60/90/426636090.db2.gz	KTMSHDSANICQHG-KSSFIOAISA-N	0	3	307.397	2.979	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2cccs2)c1C#N	ZINC000273323531	426642800	/nfs/dbraw/zinc/64/28/00/426642800.db2.gz	KOWXLGTXBKHHCL-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
C=C(Cl)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000265479409	426643450	/nfs/dbraw/zinc/64/34/50/426643450.db2.gz	CIZKNIPSOOZMAW-UHFFFAOYSA-N	0	3	321.852	2.699	20	30		DFEDHN
Cc1ccnc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000273370609	426651678	/nfs/dbraw/zinc/65/16/78/426651678.db2.gz	RSNDIOIWXIJYFE-GJZGRUSLSA-N	0	3	302.422	2.563	20	30		DFEDHN
CC(C)OC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000532632987	269621863	/nfs/dbraw/zinc/62/18/63/269621863.db2.gz	FFWPFMYQRUGKOY-UHFFFAOYSA-N	0	3	321.446	2.838	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2cccc(C#N)n2)cc1	ZINC000265592060	426658292	/nfs/dbraw/zinc/65/82/92/426658292.db2.gz	YHUQRCAUJQOTOU-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ncsc2C(F)(F)F)CC1	ZINC000280800013	426658619	/nfs/dbraw/zinc/65/86/19/426658619.db2.gz	GGJGHMKIACMWAH-UHFFFAOYSA-N	0	3	319.352	2.542	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000178580191	426659109	/nfs/dbraw/zinc/65/91/09/426659109.db2.gz	SBIFCEWSRLXBRY-AWEZNQCLSA-N	0	3	300.406	2.672	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNc2ccnc(C#N)c2)N(C)C)cc1	ZINC000340889151	269626976	/nfs/dbraw/zinc/62/69/76/269626976.db2.gz	YFBAWFDVOIZOMT-IBGZPJMESA-N	0	3	324.428	2.877	20	30		DFEDHN
N#CCCn1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)n1	ZINC000265616237	426663501	/nfs/dbraw/zinc/66/35/01/426663501.db2.gz	YLRNCVFDLFKJLQ-UHFFFAOYSA-N	0	3	323.400	2.645	20	30		DFEDHN
CSC1(CN(CCN(C)C)Cc2ccc(C#N)cc2)CC1	ZINC000289740841	426672145	/nfs/dbraw/zinc/67/21/45/426672145.db2.gz	INTNVGLCPYLGGV-UHFFFAOYSA-N	0	3	303.475	2.817	20	30		DFEDHN
C#CCOc1ccccc1CNCCC(=O)N1CCCCCC1	ZINC000238041774	426705175	/nfs/dbraw/zinc/70/51/75/426705175.db2.gz	FYFNRWOQQQDTCS-UHFFFAOYSA-N	0	3	314.429	2.581	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1OC	ZINC000273681991	426708093	/nfs/dbraw/zinc/70/80/93/426708093.db2.gz	HDMNKWZVUZTATL-FHLIZLRMSA-N	0	3	321.417	2.542	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)C[C@@H]1CCCN1CC	ZINC000188038943	426716824	/nfs/dbraw/zinc/71/68/24/426716824.db2.gz	YZADUGYJCGKSNP-HNNXBMFYSA-N	0	3	315.417	2.647	20	30		DFEDHN
COc1cc(CNC[C@](C)(O)c2cc(C)oc2C)ccc1C#N	ZINC000281842873	426776102	/nfs/dbraw/zinc/77/61/02/426776102.db2.gz	YOMLVWNQPQMVRM-SFHVURJKSA-N	0	3	314.385	2.774	20	30		DFEDHN
N#Cc1ccc(N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-]	ZINC000290499215	426778046	/nfs/dbraw/zinc/77/80/46/426778046.db2.gz	AMOBWIJKRHHMGZ-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
C[C@H](N[C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000266281669	426724601	/nfs/dbraw/zinc/72/46/01/426724601.db2.gz	GOZWMCKBPNHNEH-GVXVVHGQSA-N	0	3	321.808	2.553	20	30		DFEDHN
C#CCN(CC)CCC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000266543764	426736427	/nfs/dbraw/zinc/73/64/27/426736427.db2.gz	HDFDLSMWISMIFT-UHFFFAOYSA-N	0	3	324.808	2.641	20	30		DFEDHN
C=CCOc1cccc(CN2CCS[C@@H]3COCC[C@H]32)c1	ZINC000245703805	426765050	/nfs/dbraw/zinc/76/50/50/426765050.db2.gz	BRZWYWCIZAIHFM-IAGOWNOFSA-N	0	3	305.443	2.958	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C	ZINC000246700965	426857051	/nfs/dbraw/zinc/85/70/51/426857051.db2.gz	DTIALAXTWPOWFS-NUJGCVRESA-N	0	3	313.445	2.873	20	30		DFEDHN
CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000274626592	426805854	/nfs/dbraw/zinc/80/58/54/426805854.db2.gz	NXJMJXOIOVVKJI-RISCZKNCSA-N	0	3	305.353	2.579	20	30		DFEDHN
CCN1CC[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000246187505	426807725	/nfs/dbraw/zinc/80/77/25/426807725.db2.gz	OHCNTFIXCVYNPU-NHYWBVRUSA-N	0	3	321.371	2.639	20	30		DFEDHN
C=CC[C@H](C(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1	ZINC000189154642	426823314	/nfs/dbraw/zinc/82/33/14/426823314.db2.gz	CMOFGIFXWXKHJK-ROUUACIJSA-N	0	3	316.445	2.573	20	30		DFEDHN
CC(C)OCCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1	ZINC000267106655	426825031	/nfs/dbraw/zinc/82/50/31/426825031.db2.gz	XPNSZLHQUVIGFA-UHFFFAOYSA-N	0	3	322.840	2.908	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnc(C#N)cn1	ZINC000274726485	426825207	/nfs/dbraw/zinc/82/52/07/426825207.db2.gz	YYZJGDXCWNPOFU-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
COc1ccc([C@H](CN2CCCC2)Nc2cnc(C#N)cn2)cc1	ZINC000274776471	426836240	/nfs/dbraw/zinc/83/62/40/426836240.db2.gz	VONIQPJQIBTUHZ-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
COc1cc(CN2CCSC3(CCOCC3)C2)ccc1C#N	ZINC000282181810	426847034	/nfs/dbraw/zinc/84/70/34/426847034.db2.gz	FQMBAFVTKYGXNN-UHFFFAOYSA-N	0	3	318.442	2.665	20	30		DFEDHN
N#Cc1cccc(Cl)c1N1CCC(CN2CCOCC2)CC1	ZINC000267220090	426847729	/nfs/dbraw/zinc/84/77/29/426847729.db2.gz	NNAOSHNPFBYDQK-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C=C(C)CNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000275226750	426863599	/nfs/dbraw/zinc/86/35/99/426863599.db2.gz	MANUTXDJGWYIHO-UHFFFAOYSA-N	0	3	302.422	2.526	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282256863	426865281	/nfs/dbraw/zinc/86/52/81/426865281.db2.gz	CKUJFIYCPHNYNP-ZWKOTPCHSA-N	0	3	312.413	2.506	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1	ZINC000267432957	426880106	/nfs/dbraw/zinc/88/01/06/426880106.db2.gz	MZJZPBHRMYHMHX-HNNXBMFYSA-N	0	3	316.401	2.753	20	30		DFEDHN
C#CCCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000246973368	426884684	/nfs/dbraw/zinc/88/46/84/426884684.db2.gz	NRCJDEAWLHDKQQ-HOCLYGCPSA-N	0	3	319.474	2.844	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267698760	426884960	/nfs/dbraw/zinc/88/49/60/426884960.db2.gz	RJZXPBQXLKDCPD-ZYHUDNBSSA-N	0	3	312.339	2.748	20	30		DFEDHN
C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1nnc2n1CCCC2	ZINC000328751335	426994177	/nfs/dbraw/zinc/99/41/77/426994177.db2.gz	MZQRXEXYMPAKDM-GFCCVEGCSA-N	0	3	317.437	2.506	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@](CO)(c3ccccc3)C2)c1	ZINC000291730263	426966414	/nfs/dbraw/zinc/96/64/14/426966414.db2.gz	JMOCECSNJHGPIQ-HXUWFJFHSA-N	0	3	322.408	2.573	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)[C@H]1OCCc2sccc21	ZINC000291731831	426968104	/nfs/dbraw/zinc/96/81/04/426968104.db2.gz	NXTVLTKVHCBDEW-BDJLRTHQSA-N	0	3	301.415	2.750	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1	ZINC000189880828	426970218	/nfs/dbraw/zinc/97/02/18/426970218.db2.gz	PELNUJDRYKSTGK-UHFFFAOYSA-N	0	3	312.200	2.672	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000323958606	426973807	/nfs/dbraw/zinc/97/38/07/426973807.db2.gz	ZDYAHSIVRPWASS-LPHOPBHVSA-N	0	3	313.445	2.907	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000276076350	426978993	/nfs/dbraw/zinc/97/89/93/426978993.db2.gz	KOFOWRQPCQNJAI-NVXWUHKLSA-N	0	3	301.434	2.724	20	30		DFEDHN
CN(C)c1ncc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1	ZINC000328642645	426984115	/nfs/dbraw/zinc/98/41/15/426984115.db2.gz	DYMNOFVSVVQAMC-AWEZNQCLSA-N	0	3	303.410	2.538	20	30		DFEDHN
C=CCCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000276097746	426986022	/nfs/dbraw/zinc/98/60/22/426986022.db2.gz	NMMBSROHBMXMKG-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000276123279	426991841	/nfs/dbraw/zinc/99/18/41/426991841.db2.gz	HDSURABEYZMTDT-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)CC1CCN(C)CC1	ZINC000291619827	426929410	/nfs/dbraw/zinc/92/94/10/426929410.db2.gz	YZWXXKKDAZDOIT-UHFFFAOYSA-N	0	3	311.429	2.805	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2CC#Cc2ccccc2)C[C@H](C)O1	ZINC000248889047	427057661	/nfs/dbraw/zinc/05/76/61/427057661.db2.gz	RRBSEVSWYYVGFE-WSTZPKSXSA-N	0	3	312.457	2.612	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2	ZINC000329194692	427060510	/nfs/dbraw/zinc/06/05/10/427060510.db2.gz	SBCDMGOJFQEFOJ-ZJUUUORDSA-N	0	3	322.434	2.564	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)CCN1C	ZINC000328763882	426995980	/nfs/dbraw/zinc/99/59/80/426995980.db2.gz	GAACYEQGTWGYHB-WZRBSPASSA-N	0	3	309.435	2.782	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337841306	426997029	/nfs/dbraw/zinc/99/70/29/426997029.db2.gz	FRBNUWOFLLOYDG-HNNXBMFYSA-N	0	3	315.421	2.501	20	30		DFEDHN
C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O	ZINC000328806880	426997648	/nfs/dbraw/zinc/99/76/48/426997648.db2.gz	MAWQJGZUFRMQSU-DZUCGIPZSA-N	0	3	318.417	2.525	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000276179241	426999981	/nfs/dbraw/zinc/99/99/81/426999981.db2.gz	VKBMDDAPQNNWPM-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@H]21	ZINC000248455737	427005024	/nfs/dbraw/zinc/00/50/24/427005024.db2.gz	ZWNDDWKINKYFQJ-OWCLPIDISA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	ZINC000328897675	427008885	/nfs/dbraw/zinc/00/88/85/427008885.db2.gz	CVAOPFBFQKCCAO-RBSFLKMASA-N	0	3	311.470	2.568	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2scnc2C2CC2)CC1	ZINC000328905395	427009902	/nfs/dbraw/zinc/00/99/02/427009902.db2.gz	ATSRNPGGSWMYFA-UHFFFAOYSA-N	0	3	306.435	2.997	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCN(CC2CC2)CC1	ZINC000337891599	427025322	/nfs/dbraw/zinc/02/53/22/427025322.db2.gz	AISIFPCEHSRADH-UHFFFAOYSA-N	0	3	317.481	2.585	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000337898608	427027172	/nfs/dbraw/zinc/02/71/72/427027172.db2.gz	NRSCORSCSJLRAR-GOSISDBHSA-N	0	3	307.397	2.899	20	30		DFEDHN
N#Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000268470814	427027961	/nfs/dbraw/zinc/02/79/61/427027961.db2.gz	JECZHOUTCUZDQB-OAHLLOKOSA-N	0	3	323.356	2.548	20	30		DFEDHN
CC(C)(C)C1=CCN(CCNC(=O)c2cc[nH]c(=O)c2)CC1	ZINC000329100228	427041662	/nfs/dbraw/zinc/04/16/62/427041662.db2.gz	MMMLLGSGBXVMCI-UHFFFAOYSA-N	0	3	303.406	2.770	20	30		DFEDHN
CN1CC=C(CNC(=O)CCc2ccc3c(c2)OCCO3)CC1	ZINC000329218999	427067989	/nfs/dbraw/zinc/06/79/89/427067989.db2.gz	SEDBCAOXYCZLDH-UHFFFAOYSA-N	0	3	316.401	2.609	20	30		DFEDHN
CC(C)c1noc2ncc(C(=O)NCC3=CCN(C)CC3)cc21	ZINC000329222798	427068528	/nfs/dbraw/zinc/06/85/28/427068528.db2.gz	WYOHMAUGCCYYQY-UHFFFAOYSA-N	0	3	314.389	2.913	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N1CCCC[C@@H]1c1cc[nH]n1	ZINC000329248283	427071907	/nfs/dbraw/zinc/07/19/07/427071907.db2.gz	SJKKFFQEDNPKDL-GDBMZVCRSA-N	0	3	319.453	2.725	20	30		DFEDHN
CCN(CCN1CCOC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1	ZINC000249013330	427077142	/nfs/dbraw/zinc/07/71/42/427077142.db2.gz	IZLYQYQTLTUUJM-CVEARBPZSA-N	0	3	301.434	2.662	20	30		DFEDHN
O=C(CNC(=O)C1CCCCC1)N1CC[C@H](N2CCCCC2)C1	ZINC000329266288	427078532	/nfs/dbraw/zinc/07/85/32/427078532.db2.gz	GCZZERNELGUXGI-INIZCTEOSA-N	0	3	321.465	2.610	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329267332	427079146	/nfs/dbraw/zinc/07/91/46/427079146.db2.gz	DFSSLABYXSWAAV-GDBMZVCRSA-N	0	3	321.465	2.630	20	30		DFEDHN
C#CCN1CCC2(C[C@@H]2N(Cc2ccsc2)C(C)=O)CC1	ZINC000276519743	427090817	/nfs/dbraw/zinc/09/08/17/427090817.db2.gz	QLPJAZKBJWFKRJ-INIZCTEOSA-N	0	3	302.443	2.584	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000329329731	427092152	/nfs/dbraw/zinc/09/21/52/427092152.db2.gz	VIPZQYGRDQYJMC-HOCLYGCPSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)cs1	ZINC000182518171	427092775	/nfs/dbraw/zinc/09/27/75/427092775.db2.gz	DNWHHICAWLDQPE-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
C#CCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000268692951	427094163	/nfs/dbraw/zinc/09/41/63/427094163.db2.gz	HTLMMUDUKWZAQR-UHFFFAOYSA-N	0	3	306.793	2.719	20	30		DFEDHN
CC(=O)N[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C)C1CCCC1	ZINC000329364111	427100604	/nfs/dbraw/zinc/10/06/04/427100604.db2.gz	HUFPQTFDVIZDAZ-XKQJLSEDSA-N	0	3	321.465	2.607	20	30		DFEDHN
COc1ccc([C@H](OC)[C@@H](C)NCc2cc(C#N)n(C)c2)cc1	ZINC000276578531	427104677	/nfs/dbraw/zinc/10/46/77/427104677.db2.gz	AWISCIDJDSXIMM-FZKQIMNGSA-N	0	3	313.401	2.771	20	30		DFEDHN
N#CC(C(=O)c1ccnc(C2CC2)c1)c1nnc2n1CCCCC2	ZINC000329442087	427115152	/nfs/dbraw/zinc/11/51/52/427115152.db2.gz	KDCGXGCFQXTWCD-CQSZACIVSA-N	0	3	321.384	2.767	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN([C@@H]3C[C@H]3c3ccccc3)C2)nc1	ZINC000292160973	427116499	/nfs/dbraw/zinc/11/64/99/427116499.db2.gz	KYIXVKPURGZDQC-FGTMMUONSA-N	0	3	305.381	2.962	20	30		DFEDHN
Cc1cc(NC(=O)NC2CCN(C)CC2)nn1C1CCCCC1	ZINC000329443795	427117589	/nfs/dbraw/zinc/11/75/89/427117589.db2.gz	BZXKMKKNCOAARO-UHFFFAOYSA-N	0	3	319.453	3.117	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000249459593	427117670	/nfs/dbraw/zinc/11/76/70/427117670.db2.gz	ONEICNKMHDBXCP-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc(C#N)c2)C1	ZINC000190484657	427121806	/nfs/dbraw/zinc/12/18/06/427121806.db2.gz	KUBVBUZXTVFGTG-HXUWFJFHSA-N	0	3	320.440	2.907	20	30		DFEDHN
O=C(CCN1CCOCC2(CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000329477711	427123064	/nfs/dbraw/zinc/12/30/64/427123064.db2.gz	UOUUPODQAPUNKO-UHFFFAOYSA-N	0	3	318.373	2.506	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)C1CCCCC1	ZINC000190487012	427124357	/nfs/dbraw/zinc/12/43/57/427124357.db2.gz	SRYOADKGGAUIJP-IBGZPJMESA-N	0	3	316.445	2.948	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C1(C)C	ZINC000296063911	427063956	/nfs/dbraw/zinc/06/39/56/427063956.db2.gz	GGMUKVOTSKNCNC-OLZOCXBDSA-N	0	3	321.446	2.740	20	30		DFEDHN
O=C(NCCc1cc2ccccc2o1)N[C@@H]1CCN(C2CC2)C1	ZINC000329537948	427137770	/nfs/dbraw/zinc/13/77/70/427137770.db2.gz	VFFCYUQIANAMEV-CQSZACIVSA-N	0	3	313.401	2.716	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC[C@H](C)C1	ZINC000249719702	427141116	/nfs/dbraw/zinc/14/11/16/427141116.db2.gz	LMOLMLZJTZGUOY-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=CCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190619823	427146954	/nfs/dbraw/zinc/14/69/54/427146954.db2.gz	LTNJUNRBQBQBKJ-QGZVFWFLSA-N	0	3	301.434	2.718	20	30		DFEDHN
C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190619802	427147193	/nfs/dbraw/zinc/14/71/93/427147193.db2.gz	LTNJUNRBQBQBKJ-KRWDZBQOSA-N	0	3	301.434	2.718	20	30		DFEDHN
COCCN1CC[C@H](NC(=O)N[C@@H]2CCCCC23CCCC3)C1	ZINC000329594537	427149437	/nfs/dbraw/zinc/14/94/37/427149437.db2.gz	BLLZTGKVUBLOIC-JKSUJKDBSA-N	0	3	323.481	2.714	20	30		DFEDHN
CC#CCCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190636491	427151188	/nfs/dbraw/zinc/15/11/88/427151188.db2.gz	FIDWRIIECQHVFB-SFHVURJKSA-N	0	3	313.445	2.556	20	30		DFEDHN
C[C@H]1CN(c2snc(Cl)c2C#N)CCN(C2CCC2)C1	ZINC000292280921	427159571	/nfs/dbraw/zinc/15/95/71/427159571.db2.gz	MIWFFLYCHFSJGV-SNVBAGLBSA-N	0	3	310.854	2.979	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)NCCN(C)Cc1ccccc1	ZINC000162754262	271085321	/nfs/dbraw/zinc/08/53/21/271085321.db2.gz	ZFSPSILWRRBRRP-UHFFFAOYSA-N	0	3	307.397	2.729	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NCc1cccc(CN(C)C)c1	ZINC000338161082	427164353	/nfs/dbraw/zinc/16/43/53/427164353.db2.gz	ITAKKVLTTVNUFA-UHFFFAOYSA-N	0	3	307.397	2.858	20	30		DFEDHN
C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000252117389	427172822	/nfs/dbraw/zinc/17/28/22/427172822.db2.gz	IUASXBRETLKARS-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
CCN1CCC(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000284987097	271340415	/nfs/dbraw/zinc/34/04/15/271340415.db2.gz	HDNBMIQSDHSYAA-UHFFFAOYSA-N	0	3	317.408	2.575	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)CC1(O)CCOCC1	ZINC000269387665	427183698	/nfs/dbraw/zinc/18/36/98/427183698.db2.gz	RHOMFAKVXOYKAR-UHFFFAOYSA-N	0	3	301.839	2.931	20	30		DFEDHN
Cc1nc(N2C[C@H](N3CCCC3)C[C@H]2C)c(Cl)cc1C#N	ZINC000292540607	427192288	/nfs/dbraw/zinc/19/22/88/427192288.db2.gz	IHDOXFBDJBRSMZ-BXUZGUMPSA-N	0	3	304.825	2.978	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000252802753	427195430	/nfs/dbraw/zinc/19/54/30/427195430.db2.gz	USQIWYQIWCCZTE-SJLPKXTDSA-N	0	3	309.413	2.978	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1	ZINC000269440651	427196413	/nfs/dbraw/zinc/19/64/13/427196413.db2.gz	SNYPCNWQCIIQHA-WIEQDCTASA-N	0	3	308.422	2.867	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000253385983	427202170	/nfs/dbraw/zinc/20/21/70/427202170.db2.gz	VDJYWDFMMNYOJR-NVXWUHKLSA-N	0	3	314.429	2.979	20	30		DFEDHN
CC(C)[C@H](C(=O)NCC#Cc1cccc(F)c1)N1CCCCC1	ZINC000338239121	427207512	/nfs/dbraw/zinc/20/75/12/427207512.db2.gz	FVYBIVXPCDUBAN-GOSISDBHSA-N	0	3	316.420	2.804	20	30		DFEDHN
CCN(CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CC1	ZINC000285371939	427214106	/nfs/dbraw/zinc/21/41/06/427214106.db2.gz	RAFQSYGMTXVBDR-UHFFFAOYSA-N	0	3	317.408	2.575	20	30		DFEDHN
Cc1scc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1C	ZINC000330652576	427284787	/nfs/dbraw/zinc/28/47/87/427284787.db2.gz	LIKIYRUCJJKVCO-CQSZACIVSA-N	0	3	310.463	2.762	20	30		DFEDHN
Cc1cnn(C)c1CNCCSCc1ccccc1C#N	ZINC000285408787	427224059	/nfs/dbraw/zinc/22/40/59/427224059.db2.gz	ITDCSJIAQPIHNM-UHFFFAOYSA-N	0	3	300.431	2.623	20	30		DFEDHN
CCc1ccsc1C(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000330384279	427225916	/nfs/dbraw/zinc/22/59/16/427225916.db2.gz	ZEIPVKFBWOYVCB-AWEZNQCLSA-N	0	3	310.463	2.708	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](COC)C1CC1	ZINC000269714859	427258410	/nfs/dbraw/zinc/25/84/10/427258410.db2.gz	RGTKJZSOSUOKRF-BBRMVZONSA-N	0	3	322.474	2.666	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H]1CCOC[C@H]1C	ZINC000277645997	427271611	/nfs/dbraw/zinc/27/16/11/427271611.db2.gz	ZUCOOEFGLTVAEZ-ZIAGYGMSSA-N	0	3	320.458	2.918	20	30		DFEDHN
CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000330614327	427276190	/nfs/dbraw/zinc/27/61/90/427276190.db2.gz	RZEFFMDVDGCTAP-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(C#N)ccc1Cl	ZINC000285592109	427281132	/nfs/dbraw/zinc/28/11/32/427281132.db2.gz	UQGKUEAHBKYWLW-ZDUSSCGKSA-N	0	3	305.809	2.625	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(C#N)ccc1Cl	ZINC000285592105	427283188	/nfs/dbraw/zinc/28/31/88/427283188.db2.gz	UQGKUEAHBKYWLW-CYBMUJFWSA-N	0	3	305.809	2.625	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1C#N	ZINC000191200982	427283411	/nfs/dbraw/zinc/28/34/11/427283411.db2.gz	QVSDUOWYYMQFCY-MRXNPFEDSA-N	0	3	322.412	2.747	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(-n2cccn2)c1	ZINC000191256227	427301381	/nfs/dbraw/zinc/30/13/81/427301381.db2.gz	NGMVGSJEIOXBIK-CQSZACIVSA-N	0	3	305.385	2.933	20	30		DFEDHN
CCc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)[nH]c(C)c1C(N)=O	ZINC000330778589	427302680	/nfs/dbraw/zinc/30/26/80/427302680.db2.gz	BRMYMEWOMQLSEY-SNVBAGLBSA-N	0	3	318.421	2.724	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000277762506	427310520	/nfs/dbraw/zinc/31/05/20/427310520.db2.gz	SIINOYKJAJXUAU-PXNSSMCTSA-N	0	3	322.452	2.819	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000277762498	427310975	/nfs/dbraw/zinc/31/09/75/427310975.db2.gz	SIINOYKJAJXUAU-FXAWDEMLSA-N	0	3	322.452	2.819	20	30		DFEDHN
CC(C)C[C@@H](C)n1nccc1NC(=O)NC1CCN(C)CC1	ZINC000330874255	427311798	/nfs/dbraw/zinc/31/17/98/427311798.db2.gz	IIBQXIOHGDHEDG-CYBMUJFWSA-N	0	3	307.442	2.910	20	30		DFEDHN
C[C@@H]1C[C@@H](NCc2cc(C#N)n(C)c2)CN1Cc1ccccc1	ZINC000191316124	427316676	/nfs/dbraw/zinc/31/66/76/427316676.db2.gz	ZAERIUIKLAXMFN-CRAIPNDOSA-N	0	3	308.429	2.649	20	30		DFEDHN
CCOc1cccnc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000330963120	427321162	/nfs/dbraw/zinc/32/11/62/427321162.db2.gz	KIIAXESUQHOFAJ-UHFFFAOYSA-N	0	3	305.422	2.907	20	30		DFEDHN
Cc1cc(C)n(-c2ccccc2CNCc2cc(C#N)n(C)c2)n1	ZINC000191327608	427322963	/nfs/dbraw/zinc/32/29/63/427322963.db2.gz	ZJQMLIQTSKSEEW-UHFFFAOYSA-N	0	3	319.412	2.989	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330977254	427325049	/nfs/dbraw/zinc/32/50/49/427325049.db2.gz	OKWRCLPKEBFWGJ-NSHDSACASA-N	0	3	324.356	2.934	20	30		DFEDHN
CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@H]1CCN(C)C1	ZINC000331036950	427330688	/nfs/dbraw/zinc/33/06/88/427330688.db2.gz	OAIXMWDQAVYSOB-GFCCVEGCSA-N	0	3	322.478	2.887	20	30		DFEDHN
CSc1c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cnn1C	ZINC000331072945	427338644	/nfs/dbraw/zinc/33/86/44/427338644.db2.gz	FPCHPVNONMEVOW-GFCCVEGCSA-N	0	3	324.494	2.957	20	30		DFEDHN
Cc1noc(C(C)C)c1C(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000331083213	427340812	/nfs/dbraw/zinc/34/08/12/427340812.db2.gz	BJHATJMEAQURMN-HNNXBMFYSA-N	0	3	311.451	2.848	20	30		DFEDHN
C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000293499421	427345231	/nfs/dbraw/zinc/34/52/31/427345231.db2.gz	UFKHQZSNNDSZDI-WDEREUQCSA-N	0	3	303.431	2.777	20	30		DFEDHN
C[C@H]1CCN(Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1	ZINC000191422572	427345728	/nfs/dbraw/zinc/34/57/28/427345728.db2.gz	MRKSFOGLUYNOCB-KRWDZBQOSA-N	0	3	322.456	2.993	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N	ZINC000191433436	427349349	/nfs/dbraw/zinc/34/93/49/427349349.db2.gz	OARDILOMYLKKHO-MJGOQNOKSA-N	0	3	309.413	2.985	20	30		DFEDHN
Cn1cc(CN2CCN(CC3CCCCC3)CC2)cc1C#N	ZINC000191213348	427288191	/nfs/dbraw/zinc/28/81/91/427288191.db2.gz	NRZXUFQFIIQXGO-UHFFFAOYSA-N	0	3	300.450	2.595	20	30		DFEDHN
CCN1CCC(NC(=O)c2cc(CC(C)C)[nH]c(=O)c2)CC1	ZINC000330693768	427293082	/nfs/dbraw/zinc/29/30/82/427293082.db2.gz	AUYMITURYHSWSH-UHFFFAOYSA-N	0	3	305.422	2.775	20	30		DFEDHN
CC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CCOCC1	ZINC000330694721	427293499	/nfs/dbraw/zinc/29/34/99/427293499.db2.gz	TVDBLVFJURSMCN-HNNXBMFYSA-N	0	3	319.405	2.501	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)N[C@H](C)CN2CCCCC2)cc1C	ZINC000330691371	427293847	/nfs/dbraw/zinc/29/38/47/427293847.db2.gz	QVLICMRELHSZED-KGLIPLIRSA-N	0	3	321.469	3.363	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000285937294	427378732	/nfs/dbraw/zinc/37/87/32/427378732.db2.gz	FNGYBWYVHNDIPY-CQSZACIVSA-N	0	3	309.417	2.611	20	30		DFEDHN
Cn1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1C#N	ZINC000191560478	427378884	/nfs/dbraw/zinc/37/88/84/427378884.db2.gz	JRWWIKMJVPKFPQ-IRXDYDNUSA-N	0	3	317.339	2.795	20	30		DFEDHN
N#Cc1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)nc1	ZINC000271037268	427381050	/nfs/dbraw/zinc/38/10/50/427381050.db2.gz	GOGGMAVTZJNBOY-UHFFFAOYSA-N	0	3	317.396	2.757	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000285989616	427395499	/nfs/dbraw/zinc/39/54/99/427395499.db2.gz	FSMRRKOYIHDBHV-NEPJUHHUSA-N	0	3	309.460	2.822	20	30		DFEDHN
COc1cc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC	ZINC000331323385	427399889	/nfs/dbraw/zinc/39/98/89/427399889.db2.gz	MCCKFNJCRMKMJB-QWHCGFSZSA-N	0	3	306.406	2.800	20	30		DFEDHN
COc1ccccc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000331331745	427399911	/nfs/dbraw/zinc/39/99/11/427399911.db2.gz	RTQVUEDLUCAQIO-MRXNPFEDSA-N	0	3	319.449	2.819	20	30		DFEDHN
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(C#N)c(F)c1	ZINC000293733445	427415966	/nfs/dbraw/zinc/41/59/66/427415966.db2.gz	OOFQKVSBTIYHQD-CHWSQXEVSA-N	0	3	305.397	2.900	20	30		DFEDHN
COc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)ccn1	ZINC000285861028	427357646	/nfs/dbraw/zinc/35/76/46/427357646.db2.gz	YLMLSGDXTPXIEJ-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@H]3CCCc4c[nH]nc43)CC2)cc1	ZINC000286177473	427447366	/nfs/dbraw/zinc/44/73/66/427447366.db2.gz	QFNZRKWHYXTCLJ-SFHVURJKSA-N	0	3	321.428	2.917	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000278710554	427450060	/nfs/dbraw/zinc/45/00/60/427450060.db2.gz	BVIGRWVASWEVEJ-CHWSQXEVSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cn[nH]c1	ZINC000331655812	427470947	/nfs/dbraw/zinc/47/09/47/427470947.db2.gz	VJEMQYRDUALSJB-WFASDCNBSA-N	0	3	313.380	2.740	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@H]2CCC[C@@H]2CCO)c1	ZINC000286296430	427484294	/nfs/dbraw/zinc/48/42/94/427484294.db2.gz	VIHITWFRVQECDH-DOMZBBRYSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000278488969	427441822	/nfs/dbraw/zinc/44/18/22/427441822.db2.gz	SZWJDVJTYNAFSP-KZNAEPCWSA-N	0	3	316.445	2.695	20	30		DFEDHN
Cc1cc(C#N)nc(NC2CCN(CCc3ccccc3)CC2)n1	ZINC000286318310	427491202	/nfs/dbraw/zinc/49/12/02/427491202.db2.gz	ZQJIZCPEUIIXLH-UHFFFAOYSA-N	0	3	321.428	2.776	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000286355795	427502931	/nfs/dbraw/zinc/50/29/31/427502931.db2.gz	MVJRGQOBEUZURQ-DOMZBBRYSA-N	0	3	300.362	2.529	20	30		DFEDHN
N#Cc1ccncc1NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000271353356	427507302	/nfs/dbraw/zinc/50/73/02/427507302.db2.gz	XQAIAXACXJBGEZ-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CSc1ccc([C@@H](CNc2cnc(C#N)cn2)N(C)C)cc1	ZINC000338835556	427513529	/nfs/dbraw/zinc/51/35/29/427513529.db2.gz	IKVHQHIZZAKWLG-OAHLLOKOSA-N	0	3	313.430	2.785	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2C)C1	ZINC000263719405	427549789	/nfs/dbraw/zinc/54/97/89/427549789.db2.gz	OIZPUJZUXDYRDZ-DOTOQJQBSA-N	0	3	313.445	2.793	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cn2cccnc2n1)C(C)C	ZINC000298463560	427618009	/nfs/dbraw/zinc/61/80/09/427618009.db2.gz	OORTVDSZWUUEQC-KRWDZBQOSA-N	0	3	313.449	2.518	20	30		DFEDHN
C=CCC[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)C1CC1	ZINC000272069571	427621295	/nfs/dbraw/zinc/62/12/95/427621295.db2.gz	JPUHCEPKQUHZKR-OCCSQVGLSA-N	0	3	317.355	2.504	20	30		DFEDHN
CC1CCN(C(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)CC1	ZINC000338927075	427562548	/nfs/dbraw/zinc/56/25/48/427562548.db2.gz	GLJQRSFRFKSAIP-RDJZCZTQSA-N	0	3	303.450	2.649	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1F	ZINC000298324671	427572652	/nfs/dbraw/zinc/57/26/52/427572652.db2.gz	MZQWYGULNBXMIF-MRXNPFEDSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](OCCOC)C2)cc1	ZINC000338955572	427589227	/nfs/dbraw/zinc/58/92/27/427589227.db2.gz	GEHUJPLJSIHUJY-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
CCn1ccnc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000263902286	427605524	/nfs/dbraw/zinc/60/55/24/427605524.db2.gz	XQIZCMUUVLFMCS-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000298437333	427610562	/nfs/dbraw/zinc/61/05/62/427610562.db2.gz	GUKKYLPRYHHWKU-MRVWCRGKSA-N	0	3	303.431	2.893	20	30		DFEDHN
C#CC(C)(C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000279292226	427630253	/nfs/dbraw/zinc/63/02/53/427630253.db2.gz	PNSXODDLJGNNIF-UHFFFAOYSA-N	0	3	303.362	2.575	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000339025902	427632297	/nfs/dbraw/zinc/63/22/97/427632297.db2.gz	CHTSVNULDYOZAL-CYBMUJFWSA-N	0	3	323.824	2.588	20	30		DFEDHN
C=CCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000279347411	427648526	/nfs/dbraw/zinc/64/85/26/427648526.db2.gz	RPKVUCQOALIKSA-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)[C@@H]2C1	ZINC000272180855	427662901	/nfs/dbraw/zinc/66/29/01/427662901.db2.gz	KIMVNPJMLQXXIV-ZYHUDNBSSA-N	0	3	310.323	2.502	20	30		DFEDHN
C#CCN(C)CCC(=O)NC(c1ccccc1)c1ccccc1	ZINC000298480930	427624606	/nfs/dbraw/zinc/62/46/06/427624606.db2.gz	JDXCSTFUWVNWSM-UHFFFAOYSA-N	0	3	306.409	2.847	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(O)(c2ccccc2)CC1	ZINC000185523450	427666336	/nfs/dbraw/zinc/66/63/36/427666336.db2.gz	HLKVRRYHQNMXAU-UHFFFAOYSA-N	0	3	322.408	2.921	20	30		DFEDHN
COc1ccc([C@@H]2OCC[C@H]2NCc2ccc(C#N)cc2)cn1	ZINC000343415508	272141612	/nfs/dbraw/zinc/14/16/12/272141612.db2.gz	YIGHGMMQFYGCEK-AEFFLSMTSA-N	0	3	309.369	2.582	20	30		DFEDHN
C[C@@H](C#N)CNC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000193154362	427675335	/nfs/dbraw/zinc/67/53/35/427675335.db2.gz	RIBINMZVOVGFGK-AWEZNQCLSA-N	0	3	301.390	2.537	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000298722502	427686512	/nfs/dbraw/zinc/68/65/12/427686512.db2.gz	MSEHCKASCCFRKW-LSDHHAIUSA-N	0	3	314.433	2.650	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)CCCOC)C(C)C	ZINC000272298100	427701104	/nfs/dbraw/zinc/70/11/04/427701104.db2.gz	GLXYSPAESOYWPY-SJORKVTESA-N	0	3	310.482	2.864	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)COc1ccccc1F	ZINC000272330173	427712596	/nfs/dbraw/zinc/71/25/96/427712596.db2.gz	WEMKWELJJNABCZ-OAHLLOKOSA-N	0	3	319.376	2.889	20	30		DFEDHN
CN(CCCCC(C)(C)C#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000336845342	427756014	/nfs/dbraw/zinc/75/60/14/427756014.db2.gz	LANSGYRMVJWQEV-HUUCEWRRSA-N	0	3	314.495	2.994	20	30		DFEDHN
CCn1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C	ZINC000339362097	427759858	/nfs/dbraw/zinc/75/98/58/427759858.db2.gz	NGGOWJVCGKWSSA-CYBMUJFWSA-N	0	3	321.384	2.897	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000299462616	427765368	/nfs/dbraw/zinc/76/53/68/427765368.db2.gz	XZFITMZNYFDYKE-UHFFFAOYSA-N	0	3	317.433	2.511	20	30		DFEDHN
CC(C)[C@H](CNc1nccnc1C#N)N1CCc2ccccc2C1	ZINC000301192758	427780571	/nfs/dbraw/zinc/78/05/71/427780571.db2.gz	SKUNSGDEJJZFNM-SFHVURJKSA-N	0	3	321.428	2.843	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	ZINC000279947971	427726016	/nfs/dbraw/zinc/72/60/16/427726016.db2.gz	OOQUVTZMYPRHIG-LBPRGKRZSA-N	0	3	302.340	2.798	20	30		DFEDHN
Cc1nc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)no1	ZINC000339259052	427743497	/nfs/dbraw/zinc/74/34/97/427743497.db2.gz	YKMWVOLBYRJSRL-AWEZNQCLSA-N	0	3	312.373	2.502	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1ccccc1	ZINC000186081543	427745597	/nfs/dbraw/zinc/74/55/97/427745597.db2.gz	MTRMERGOHVAVDR-KRWDZBQOSA-N	0	3	311.360	2.730	20	30		DFEDHN
Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1C#N	ZINC000336722363	427750622	/nfs/dbraw/zinc/75/06/22/427750622.db2.gz	VUNKWBIBJLRMOI-CRAIPNDOSA-N	0	3	306.413	3.337	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CC[C@H](CC4CC4)C3)C2=O)cc1	ZINC000339673551	427810227	/nfs/dbraw/zinc/81/02/27/427810227.db2.gz	POIBIRKVUDOEAY-AEFFLSMTSA-N	0	3	309.413	2.786	20	30		DFEDHN
C=CCN1CC[C@H](N(C[C@@H]2CCCO2)C2CCC(C)CC2)C1=O	ZINC000337189123	427812189	/nfs/dbraw/zinc/81/21/89/427812189.db2.gz	QWZVAMCWOQIJAG-FOIPXRHGSA-N	0	3	320.477	2.833	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CCCc2ccc(Cl)cc2)C1=O	ZINC000337239907	427820632	/nfs/dbraw/zinc/82/06/32/427820632.db2.gz	ZYVCFLRNYYUDPJ-MRXNPFEDSA-N	0	3	306.837	2.991	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1	ZINC000301854559	427829618	/nfs/dbraw/zinc/82/96/18/427829618.db2.gz	YKKZNHSQTMBFKR-OAHLLOKOSA-N	0	3	323.444	2.544	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1	ZINC000301885853	427833396	/nfs/dbraw/zinc/83/33/96/427833396.db2.gz	POBDWYNLDHQRFE-RBUKOAKNSA-N	0	3	307.397	2.606	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)CC1	ZINC000359401020	427833691	/nfs/dbraw/zinc/83/36/91/427833691.db2.gz	BVWBNXYMLDVMIH-LBPRGKRZSA-N	0	3	308.372	2.835	20	30		DFEDHN
CC(C)[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N1CCCCC1	ZINC000339825394	427841298	/nfs/dbraw/zinc/84/12/98/427841298.db2.gz	NFKQBZFVAZUWQW-SFHVURJKSA-N	0	3	311.429	2.958	20	30		DFEDHN
CCc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000349715664	427849943	/nfs/dbraw/zinc/84/99/43/427849943.db2.gz	PFDMAWHNQPGCQA-AWEZNQCLSA-N	0	3	324.409	2.576	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1cnc(C#N)cn1	ZINC000302445602	427851191	/nfs/dbraw/zinc/85/11/91/427851191.db2.gz	RXQXTSSIGFVIHA-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
COc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(C)n1	ZINC000337335035	427851455	/nfs/dbraw/zinc/85/14/55/427851455.db2.gz	CBMDLSLQIAHAMR-ZDUSSCGKSA-N	0	3	320.352	2.775	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000339940260	427879242	/nfs/dbraw/zinc/87/92/42/427879242.db2.gz	XIJGFELPRLAHGJ-YOEHRIQHSA-N	0	3	321.380	2.512	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(Br)ccc(F)c2C1	ZINC000349858784	427882210	/nfs/dbraw/zinc/88/22/10/427882210.db2.gz	RKQVVCJVQIYZSR-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@H](CO)c2cccc(F)c2)c1	ZINC000359524241	427890110	/nfs/dbraw/zinc/89/01/10/427890110.db2.gz	WHMJFTDOWVLBRF-GOSISDBHSA-N	0	3	314.360	2.789	20	30		DFEDHN
CC1(C)CCC[C@@]1(O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000355813456	427906870	/nfs/dbraw/zinc/90/68/70/427906870.db2.gz	PBYHNIUZRXUJMN-VQIMIIECSA-N	0	3	314.429	2.816	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1	ZINC000359555034	427907709	/nfs/dbraw/zinc/90/77/09/427907709.db2.gz	JXBDGQWTNFXRAT-AHCXZYCDSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=C(Cl)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000369491112	427980012	/nfs/dbraw/zinc/98/00/12/427980012.db2.gz	GCZOQOAPJJTNCY-CQSZACIVSA-N	0	3	310.800	2.906	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369517325	427985149	/nfs/dbraw/zinc/98/51/49/427985149.db2.gz	NCJLCTJNJPINAN-NFAWXSAZSA-N	0	3	320.462	2.542	20	30		DFEDHN
N#Cc1ncn(C2CCN(CCSC3CCCCC3)CC2)n1	ZINC000376737095	427988717	/nfs/dbraw/zinc/98/87/17/427988717.db2.gz	ABFFKUQDOYGNJI-UHFFFAOYSA-N	0	3	319.478	2.853	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000369648117	428025000	/nfs/dbraw/zinc/02/50/00/428025000.db2.gz	NMGOVQCQZHMMRB-KZNAEPCWSA-N	0	3	320.477	2.835	20	30		DFEDHN
C=C(C)COc1cc(CNCCc2cnccn2)ccc1OC	ZINC000341323651	428033324	/nfs/dbraw/zinc/03/33/24/428033324.db2.gz	PXODNTOZJKIXDP-UHFFFAOYSA-N	0	3	313.401	2.772	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)N(CCN2CCCCCC2)C2CCC2)c1	ZINC000359823613	428033308	/nfs/dbraw/zinc/03/33/08/428033308.db2.gz	UWXWIYMFFLLYLD-UHFFFAOYSA-N	0	3	314.433	2.757	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(c3cnccn3)CC2)cc1	ZINC000376997779	428039828	/nfs/dbraw/zinc/03/98/28/428039828.db2.gz	PXUDOQIGFDNERB-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1	ZINC000369742913	428051714	/nfs/dbraw/zinc/05/17/14/428051714.db2.gz	WAHGJYMSUXEWOA-DLBZAZTESA-N	0	3	305.466	2.905	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2ccsc2)c1C#N	ZINC000413461580	428053943	/nfs/dbraw/zinc/05/39/43/428053943.db2.gz	VVMHQOGGWNBKFB-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@H]1CCN(CC)C1)c1ccc(F)c(F)c1	ZINC000413463570	428054237	/nfs/dbraw/zinc/05/42/37/428054237.db2.gz	XTFWHMHSMVJKRW-XJKSGUPXSA-N	0	3	323.387	2.975	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@H]2CCC[C@H]21	ZINC000359878976	428057706	/nfs/dbraw/zinc/05/77/06/428057706.db2.gz	YMEHSPPIZHCIGG-CVEARBPZSA-N	0	3	316.401	2.589	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000341390695	428059517	/nfs/dbraw/zinc/05/95/17/428059517.db2.gz	VEMPWSHMRVRIRT-SFHVURJKSA-N	0	3	306.413	3.511	20	30		DFEDHN
N#Cc1ccc(-c2nnc(CNC3(C4CC4)CCOCC3)o2)cc1	ZINC000376783588	427997498	/nfs/dbraw/zinc/99/74/98/427997498.db2.gz	WWOZOYRERKFETH-UHFFFAOYSA-N	0	3	324.384	2.657	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC2CCC(COC)CC2)CC1	ZINC000413238349	427997685	/nfs/dbraw/zinc/99/76/85/427997685.db2.gz	LOBNLSHKCXGTKE-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)CC(F)(F)F)CC1	ZINC000413245083	427999652	/nfs/dbraw/zinc/99/96/52/427999652.db2.gz	RTMAGRFYZYCMMG-GFCCVEGCSA-N	0	3	321.387	2.915	20	30		DFEDHN
CSC1(CN2CCN(c3ccccc3C#N)CC2)CCC1	ZINC000356054915	428002096	/nfs/dbraw/zinc/00/20/96/428002096.db2.gz	BXAJTKHVUGWVMD-UHFFFAOYSA-N	0	3	301.459	2.966	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CC[C@@H](CC2CCCC2)C1	ZINC000369559855	428002035	/nfs/dbraw/zinc/00/20/35/428002035.db2.gz	IAZRZBSZALZSPM-KRWDZBQOSA-N	0	3	316.449	2.545	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccs1	ZINC000369570258	428003747	/nfs/dbraw/zinc/00/37/47/428003747.db2.gz	QLHCFQKUAFSWSX-TZMCWYRMSA-N	0	3	303.431	2.551	20	30		DFEDHN
CN(CCCN(C)c1ncc(C#N)cc1F)Cc1ccco1	ZINC000413289839	428011376	/nfs/dbraw/zinc/01/13/76/428011376.db2.gz	HMZRFWIYMAWNPI-UHFFFAOYSA-N	0	3	302.353	2.644	20	30		DFEDHN
N#Cc1cc(C(=O)N(CCN2CCCCCC2)C2CCC2)c[nH]1	ZINC000359782647	428017846	/nfs/dbraw/zinc/01/78/46/428017846.db2.gz	BGXBAVRSUXAOOP-UHFFFAOYSA-N	0	3	314.433	2.757	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000369875109	428079637	/nfs/dbraw/zinc/07/96/37/428079637.db2.gz	RPWPPXNNGYGYCL-LUKYLMHMSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC(C)c1nccn1C[C@H]1CCCN1Cc1cc(C#N)n(C)c1	ZINC000377293718	428100282	/nfs/dbraw/zinc/10/02/82/428100282.db2.gz	WFBAESBECXTXID-MRXNPFEDSA-N	0	3	311.433	2.881	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN2CCC1CC2	ZINC000413833000	428145906	/nfs/dbraw/zinc/14/59/06/428145906.db2.gz	JQWDWPIHXNSLMX-KRWDZBQOSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=C[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1	ZINC000352473881	428136444	/nfs/dbraw/zinc/13/64/44/428136444.db2.gz	YZSBZORANZCFSH-GOSISDBHSA-N	0	3	308.381	2.774	20	30		DFEDHN
C=C[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000352452860	428137314	/nfs/dbraw/zinc/13/73/14/428137314.db2.gz	JFJDAXAKYJSAOE-SFHVURJKSA-N	0	3	308.381	2.774	20	30		DFEDHN
C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000370132098	428142105	/nfs/dbraw/zinc/14/21/05/428142105.db2.gz	VGRFTNVYEJEDDK-FUHWJXTLSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN2CCC[C@H]2C1	ZINC000413828378	428144047	/nfs/dbraw/zinc/14/40/47/428144047.db2.gz	UTNLVOYHDXELGT-ROUUACIJSA-N	0	3	313.445	2.663	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1	ZINC000346407027	428160545	/nfs/dbraw/zinc/16/05/45/428160545.db2.gz	GUKZAPCHNMXVHK-CYGHRXIMSA-N	0	3	311.429	2.625	20	30		DFEDHN
Cn1ccnc1[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000341710009	428164168	/nfs/dbraw/zinc/16/41/68/428164168.db2.gz	VPCHQAFPQSZMEP-SJORKVTESA-N	0	3	322.412	2.760	20	30		DFEDHN
C=CCN(Cc1cncn1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000370236201	428164832	/nfs/dbraw/zinc/16/48/32/428164832.db2.gz	MYYXJOHTYOBYCU-SFHVURJKSA-N	0	3	310.445	2.683	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](O)C(C)C	ZINC000413970499	428176036	/nfs/dbraw/zinc/17/60/36/428176036.db2.gz	GLQITCIGQPCBHD-YESZJQIVSA-N	0	3	302.418	2.671	20	30		DFEDHN
C=CCCC1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CC1	ZINC000356439144	428180187	/nfs/dbraw/zinc/18/01/87/428180187.db2.gz	SMVLHEBNCSXSTN-QGZVFWFLSA-N	0	3	320.477	2.836	20	30		DFEDHN
N#Cc1cccc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1	ZINC000370388487	428198627	/nfs/dbraw/zinc/19/86/27/428198627.db2.gz	UBHRMYWVRLMXHD-IBGZPJMESA-N	0	3	319.408	2.953	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(Cc2ccncc2)CC1	ZINC000377927874	428263818	/nfs/dbraw/zinc/26/38/18/428263818.db2.gz	ZZMWMYAVALMLQE-UHFFFAOYSA-N	0	3	310.401	2.643	20	30		DFEDHN
CC(C)NC(=O)CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352821083	428263922	/nfs/dbraw/zinc/26/39/22/428263922.db2.gz	FVBSXGFEDGPPRM-UHFFFAOYSA-N	0	3	313.323	2.581	20	30		DFEDHN
Cc1cnn(CCNCc2ccc(C#N)cc2C(F)(F)F)c1	ZINC000352839840	428273768	/nfs/dbraw/zinc/27/37/68/428273768.db2.gz	LGSJCNINCGBSKR-UHFFFAOYSA-N	0	3	308.307	2.872	20	30		DFEDHN
COCC1(C#N)CCN(CCCOCCc2ccccc2)CC1	ZINC000342007744	428274631	/nfs/dbraw/zinc/27/46/31/428274631.db2.gz	DAARWZWADLBZGZ-UHFFFAOYSA-N	0	3	316.445	2.888	20	30		DFEDHN
Cc1noc(CCCNCc2ccc(C#N)cc2C(F)(F)F)n1	ZINC000352841393	428275020	/nfs/dbraw/zinc/27/50/20/428275020.db2.gz	QTYXXYJAUZKFLX-UHFFFAOYSA-N	0	3	324.306	2.991	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)[C@H]2C1	ZINC000356739001	428289475	/nfs/dbraw/zinc/28/94/75/428289475.db2.gz	NMEMLNWLYZIYDN-SQNIBIBYSA-N	0	3	311.429	2.627	20	30		DFEDHN
C=CCCC1(C(=O)N(CCC)CCN2CCN(CC)CC2)CC1	ZINC000356586238	428243648	/nfs/dbraw/zinc/24/36/48/428243648.db2.gz	XOJOIWXMDIKJGN-UHFFFAOYSA-N	0	3	321.509	2.609	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(Cc3ccccn3)CC2)cc1	ZINC000378147585	428321475	/nfs/dbraw/zinc/32/14/75/428321475.db2.gz	GGACAJMNLGBXNY-FQEVSTJZSA-N	0	3	321.424	2.941	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(F)c(C#N)c3)C[C@@H]1CCCC2	ZINC000342178639	428336527	/nfs/dbraw/zinc/33/65/27/428336527.db2.gz	SGSOJMMBCMMWET-YJBOKZPZSA-N	0	3	316.376	2.863	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(C#N)cc3F)C[C@@H]1CCCC2	ZINC000342181909	428337471	/nfs/dbraw/zinc/33/74/71/428337471.db2.gz	WCSACTIRXDABBL-MAUKXSAKSA-N	0	3	316.376	2.863	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2CCN(C3CC3)C2)ccc1OC	ZINC000356863362	428340110	/nfs/dbraw/zinc/34/01/10/428340110.db2.gz	JRVXJQCUQBPDBY-INIZCTEOSA-N	0	3	316.445	2.976	20	30		DFEDHN
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)N(C)CCC#N	ZINC000357005804	428368839	/nfs/dbraw/zinc/36/88/39/428368839.db2.gz	CGKFSJIZAHAZOA-KBPBESRZSA-N	0	3	317.408	2.895	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1	ZINC000347030670	428413569	/nfs/dbraw/zinc/41/35/69/428413569.db2.gz	CISYKWMDNZKSLV-MFKMUULPSA-N	0	3	323.190	2.509	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(C1)CCCOC2	ZINC000357086158	428382381	/nfs/dbraw/zinc/38/23/81/428382381.db2.gz	DBPLUPOOENMQLG-MJGOQNOKSA-N	0	3	312.413	2.788	20	30		DFEDHN
C[C@@H](CN1CCCC1=O)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360654968	428386247	/nfs/dbraw/zinc/38/62/47/428386247.db2.gz	BAKKVVOXMSLLHZ-KBXCAEBGSA-N	0	3	311.429	2.926	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)C[C@H]2CCCN2CC)c1C	ZINC000357102124	428387258	/nfs/dbraw/zinc/38/72/58/428387258.db2.gz	QNMBRPKKABNGNA-QGZVFWFLSA-N	0	3	317.477	2.890	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000357208878	428435216	/nfs/dbraw/zinc/43/52/16/428435216.db2.gz	QNLSWILFMWDYDZ-YOEHRIQHSA-N	0	3	301.434	2.771	20	30		DFEDHN
C[C@@H]1CC[C@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1	ZINC000378623457	428439895	/nfs/dbraw/zinc/43/98/95/428439895.db2.gz	MPKXJFCYJICGBU-BEFAXECRSA-N	0	3	311.429	2.687	20	30		DFEDHN
COc1cc(CNCc2c[nH]nc2-c2cccnc2)ccc1C#N	ZINC000353229718	428441843	/nfs/dbraw/zinc/44/18/43/428441843.db2.gz	RSHZQBMOXILPDT-UHFFFAOYSA-N	0	3	319.368	2.642	20	30		DFEDHN
Cc1nc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1C#N	ZINC000389846546	428467352	/nfs/dbraw/zinc/46/73/52/428467352.db2.gz	OIWAGVCFRBPNRM-RDTXWAMCSA-N	0	3	306.413	3.194	20	30		DFEDHN
COc1ccc(CNC(=O)C(C)C#N)cc1OC1CCCC1	ZINC000347144592	428467678	/nfs/dbraw/zinc/46/76/78/428467678.db2.gz	XUUHMAJCGSLQDO-LBPRGKRZSA-N	0	3	302.374	2.792	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000389954618	428468442	/nfs/dbraw/zinc/46/84/42/428468442.db2.gz	TXVBOECBIBSBEC-RDJZCZTQSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCN(C(=O)Nc1cccc(OCCN(C)C)c1)C1CC1	ZINC000357352110	428495256	/nfs/dbraw/zinc/49/52/56/428495256.db2.gz	LHYILPRWKJJRFM-UHFFFAOYSA-N	0	3	303.406	2.809	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](COC(F)F)C1	ZINC000342981118	428498825	/nfs/dbraw/zinc/49/88/25/428498825.db2.gz	BIJBOSBJKAPLMX-LSDHHAIUSA-N	0	3	322.355	2.847	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CCOC)[C@H](CC)C2)cc1	ZINC000353363003	428504575	/nfs/dbraw/zinc/50/45/75/428504575.db2.gz	HVTVEIYFOXGRFP-GOSISDBHSA-N	0	3	318.461	2.794	20	30		DFEDHN
CS[C@H]1CN(c2nccc(C#N)c2Cl)C[C@H]1N1CCCC1	ZINC000343030961	428507932	/nfs/dbraw/zinc/50/79/32/428507932.db2.gz	ZEEYLYBFMVFUST-OLZOCXBDSA-N	0	3	322.865	2.623	20	30		DFEDHN
Cc1nc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1C#N	ZINC000398005152	428514721	/nfs/dbraw/zinc/51/47/21/428514721.db2.gz	YQCLCGHKXPYLQW-RDTXWAMCSA-N	0	3	306.413	3.337	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CCCCO2)C1	ZINC000373182721	428520627	/nfs/dbraw/zinc/52/06/27/428520627.db2.gz	LGRSUZVZLZIHQM-AEFFLSMTSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=CCc1cc(OCC)ccc1OC[C@H](O)CN(C)C1CC1	ZINC000357436979	428535716	/nfs/dbraw/zinc/53/57/16/428535716.db2.gz	KBJBNTPYMHERAC-MRXNPFEDSA-N	0	3	305.418	2.648	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C	ZINC000347315238	428542408	/nfs/dbraw/zinc/54/24/08/428542408.db2.gz	KDLZRQJVBGBCMB-NXEZZACHSA-N	0	3	307.191	2.882	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2cc(Br)ccc2C[C@H]1C	ZINC000347316172	428542511	/nfs/dbraw/zinc/54/25/11/428542511.db2.gz	KDLZRQJVBGBCMB-VHSXEESVSA-N	0	3	307.191	2.882	20	30		DFEDHN
CC(C)N(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(C#N)cc1	ZINC000343318440	428543848	/nfs/dbraw/zinc/54/38/48/428543848.db2.gz	XSUGFMIBORJXIO-KDURUIRLSA-N	0	3	313.445	2.632	20	30		DFEDHN
COc1cc(CN[C@@H]2CCO[C@@H]2c2cccnc2)ccc1C#N	ZINC000343388501	428547197	/nfs/dbraw/zinc/54/71/97/428547197.db2.gz	AEJDVLDBBUENBD-SJLPKXTDSA-N	0	3	309.369	2.582	20	30		DFEDHN
C=C(C)[C@@H](NCCN1CCCOCC1)c1ccc(F)c(F)c1	ZINC000361382500	428561656	/nfs/dbraw/zinc/56/16/56/428561656.db2.gz	WCKSHERLRWIKCL-QGZVFWFLSA-N	0	3	310.388	2.894	20	30		DFEDHN
CN(Cc1ccccc1)C1CN(c2ccc(Cl)c(C#N)n2)C1	ZINC000343632645	428566278	/nfs/dbraw/zinc/56/62/78/428566278.db2.gz	POYFEESDSOGOHR-UHFFFAOYSA-N	0	3	312.804	2.927	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(C#N)ccc1OC	ZINC000343677260	428566555	/nfs/dbraw/zinc/56/65/55/428566555.db2.gz	TXKIFZMZZFUFCA-YJBOKZPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C(C)C)[C@H]1CCOC1	ZINC000361417330	428566848	/nfs/dbraw/zinc/56/68/48/428566848.db2.gz	WUEULMOTMXJHLV-ROUUACIJSA-N	0	3	319.445	2.654	20	30		DFEDHN
CC(C#N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000357837666	428568139	/nfs/dbraw/zinc/56/81/39/428568139.db2.gz	SZWFRDGLCAUAKJ-GFCCVEGCSA-N	0	3	305.809	2.580	20	30		DFEDHN
CC#CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000361453203	428571395	/nfs/dbraw/zinc/57/13/95/428571395.db2.gz	CIECHKHDQYOSIY-MRXNPFEDSA-N	0	3	313.445	2.925	20	30		DFEDHN
CCN(C[C@H](C)OC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000361563728	428575662	/nfs/dbraw/zinc/57/56/62/428575662.db2.gz	JQEPSLBTHXDDAZ-BNQMIIOLSA-N	0	3	323.481	2.663	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1	ZINC000408090548	428601574	/nfs/dbraw/zinc/60/15/74/428601574.db2.gz	RWBPGLNUPVVEPY-ZMSDIMECSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(CC)[C@@H]1CCOC1)C(C)C	ZINC000361881052	428602730	/nfs/dbraw/zinc/60/27/30/428602730.db2.gz	VDWXDLAQJULIJL-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
COc1cccc(N2CC[C@H](NCc3cc(C#N)cs3)C2)c1	ZINC000344061589	428621636	/nfs/dbraw/zinc/62/16/36/428621636.db2.gz	NHAROYFTYCLCPS-AWEZNQCLSA-N	0	3	313.426	2.997	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@H]1CCCN1CCC	ZINC000347777225	428624406	/nfs/dbraw/zinc/62/44/06/428624406.db2.gz	LOKZFOFHRYCKFP-MRXNPFEDSA-N	0	3	302.418	2.742	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](NCc1ccc(C#N)cc1F)CC2	ZINC000344116353	428624964	/nfs/dbraw/zinc/62/49/64/428624964.db2.gz	NSKDKIVJCKQWBP-CQSZACIVSA-N	0	3	313.380	2.517	20	30		DFEDHN
CO[C@@H]1C[C@@H](CN2CCCC2)N(c2c(F)cc(C#N)cc2F)C1	ZINC000347872453	428626940	/nfs/dbraw/zinc/62/69/40/428626940.db2.gz	XDVGGIUZWMDWSN-UONOGXRCSA-N	0	3	321.371	2.526	20	30		DFEDHN
COc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000347958934	428632732	/nfs/dbraw/zinc/63/27/32/428632732.db2.gz	DCPZRVYAXDESQC-QGZVFWFLSA-N	0	3	319.364	2.566	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415962641	428637577	/nfs/dbraw/zinc/63/75/77/428637577.db2.gz	UFKRGOVOYNNDBL-SECBINFHSA-N	0	3	314.311	2.930	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1F)CCNC2	ZINC000415963117	428638436	/nfs/dbraw/zinc/63/84/36/428638436.db2.gz	VAURILWOBURHBY-UHFFFAOYSA-N	0	3	318.396	2.923	20	30		DFEDHN
CN(CCC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348133980	428639157	/nfs/dbraw/zinc/63/91/57/428639157.db2.gz	ZFLZVSAFHPKSAW-CYBMUJFWSA-N	0	3	309.291	2.651	20	30		DFEDHN
CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000277053924	274062280	/nfs/dbraw/zinc/06/22/80/274062280.db2.gz	VEQAWTMGRAOKFJ-TUKIKUTGSA-N	0	3	319.405	2.642	20	30		DFEDHN
C[C@]1(CNc2nccnc2C#N)CCN(Cc2ccccc2)C1	ZINC000373995894	428659922	/nfs/dbraw/zinc/65/99/22/428659922.db2.gz	QSPYGGJMFRCESO-GOSISDBHSA-N	0	3	307.401	2.672	20	30		DFEDHN
O[C@@H]1CCOC[C@H]1[C@H]1CCCN1CC#Cc1cccc(Cl)c1	ZINC000374072852	428662043	/nfs/dbraw/zinc/66/20/43/428662043.db2.gz	UOUIAFWXFJVQSG-RCCFBDPRSA-N	0	3	319.832	2.553	20	30		DFEDHN
CN(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1	ZINC000358783827	428674553	/nfs/dbraw/zinc/67/45/53/428674553.db2.gz	STCNETASAGWXTD-GFCCVEGCSA-N	0	3	305.341	2.514	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000362372112	428723227	/nfs/dbraw/zinc/72/32/27/428723227.db2.gz	XHACWRCNTAURRL-OAHLLOKOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1	ZINC000362381325	428726170	/nfs/dbraw/zinc/72/61/70/428726170.db2.gz	XDGJFOHEFAMEQS-RDJZCZTQSA-N	0	3	319.449	2.570	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000362388797	428729173	/nfs/dbraw/zinc/72/91/73/428729173.db2.gz	JAKMINGKGSAJET-VOTSOKGWSA-N	0	3	309.413	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2sccc2C)CC1	ZINC000358813991	428687843	/nfs/dbraw/zinc/68/78/43/428687843.db2.gz	GERBWASJPLGWQI-UHFFFAOYSA-N	0	3	307.463	2.848	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000348469411	428753992	/nfs/dbraw/zinc/75/39/92/428753992.db2.gz	NGXZHVOWEBYRBZ-KGLIPLIRSA-N	0	3	309.479	2.593	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000348470125	428754512	/nfs/dbraw/zinc/75/45/12/428754512.db2.gz	PWQKYTYTQNXHLS-RRFJBIMHSA-N	0	3	323.506	2.981	20	30		DFEDHN
C#CCCN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000374818728	428758159	/nfs/dbraw/zinc/75/81/59/428758159.db2.gz	KLHROEQORGVBMK-OAHLLOKOSA-N	0	3	314.433	2.741	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc1	ZINC000348547971	428783380	/nfs/dbraw/zinc/78/33/80/428783380.db2.gz	PNHCVFWBPZNHQA-FUHWJXTLSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](CC)O1)C(C)C	ZINC000362519520	428783787	/nfs/dbraw/zinc/78/37/87/428783787.db2.gz	AWXLZTXWVXSXTA-ZACQAIPSSA-N	0	3	308.466	2.759	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000358963154	428751024	/nfs/dbraw/zinc/75/10/24/428751024.db2.gz	ZJWNTUSUCSLBEP-INIZCTEOSA-N	0	3	317.481	2.870	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccccc1C#N	ZINC000348462132	428752278	/nfs/dbraw/zinc/75/22/78/428752278.db2.gz	VZEJOHGSGWBMGE-BPNCWPANSA-N	0	3	323.343	2.635	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000362695553	428800215	/nfs/dbraw/zinc/80/02/15/428800215.db2.gz	TYOPJGWNYPSMOK-ZOBUZTSGSA-N	0	3	301.434	2.913	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000362703089	428801241	/nfs/dbraw/zinc/80/12/41/428801241.db2.gz	HCUOBLFEBCFBJY-VYDXJSESSA-N	0	3	301.434	2.771	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nc(C)nc2[nH]ccc21)C(C)C	ZINC000348722403	428820046	/nfs/dbraw/zinc/82/00/46/428820046.db2.gz	UXDDRFQUTNGYQT-INIZCTEOSA-N	0	3	313.449	3.377	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H](C)CCC#N)on1	ZINC000411597727	428822772	/nfs/dbraw/zinc/82/27/72/428822772.db2.gz	UGRBNNQWMUZRBR-ILXRZTDVSA-N	0	3	308.401	2.520	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)c1cc(C(=O)OC)c(C)o1	ZINC000411642942	428832179	/nfs/dbraw/zinc/83/21/79/428832179.db2.gz	HUXATMBBHSFBJY-CYBMUJFWSA-N	0	3	308.422	2.875	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C(=O)CC)cc2)CC1	ZINC000348786170	428838427	/nfs/dbraw/zinc/83/84/27/428838427.db2.gz	JVAXKSGPDBTEPW-UHFFFAOYSA-N	0	3	300.402	2.660	20	30		DFEDHN
C[C@H]1CCNC(=O)[C@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000411689220	428842883	/nfs/dbraw/zinc/84/28/83/428842883.db2.gz	CJAUARDAGNBCKG-LIRRHRJNSA-N	0	3	319.408	2.839	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(c2ccncn2)CC1	ZINC000411823187	428865354	/nfs/dbraw/zinc/86/53/54/428865354.db2.gz	CGINTWAOIGOJFZ-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccccc2OC)C1	ZINC000363383690	428911000	/nfs/dbraw/zinc/91/10/00/428911000.db2.gz	YZLCIUDTMHTCAI-HOTGVXAUSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000411891385	428877364	/nfs/dbraw/zinc/87/73/64/428877364.db2.gz	JMUPEWDIBPEEHM-QGTPRVQTSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCOc1cccc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)c1	ZINC000354132389	428878979	/nfs/dbraw/zinc/87/89/79/428878979.db2.gz	WJIANOVWNIQSEW-RBUKOAKNSA-N	0	3	316.445	2.546	20	30		DFEDHN
N#Cc1c(F)ccc(CN2CCC[C@@H](c3nc[nH]n3)C2)c1Cl	ZINC000375429664	428881368	/nfs/dbraw/zinc/88/13/68/428881368.db2.gz	ZPASQTAPVCIQOW-LLVKDONJSA-N	0	3	319.771	2.848	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000359253927	428888216	/nfs/dbraw/zinc/88/82/16/428888216.db2.gz	OUXSGOFTGNMTOA-INIZCTEOSA-N	0	3	317.481	2.726	20	30		DFEDHN
CSCC1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000419235570	428928605	/nfs/dbraw/zinc/92/86/05/428928605.db2.gz	NHWMAWXQBHMUJW-AVVWSFFYSA-N	0	3	317.458	2.596	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCOCC1CCC1	ZINC000419272586	428928674	/nfs/dbraw/zinc/92/86/74/428928674.db2.gz	GYUNODSSDUEWGZ-UHFFFAOYSA-N	0	3	302.418	2.823	20	30		DFEDHN
C=CC(C)(C)CN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419226946	428929070	/nfs/dbraw/zinc/92/90/70/428929070.db2.gz	JJANQYFIMDPRKK-ZDUSSCGKSA-N	0	3	314.351	2.904	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C2CC2)cc1	ZINC000419351454	428930613	/nfs/dbraw/zinc/93/06/13/428930613.db2.gz	JEMXITJZUUMKLS-STQMWFEESA-N	0	3	315.417	2.615	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)Cc1ccc(C)cc1	ZINC000419339832	428931802	/nfs/dbraw/zinc/93/18/02/428931802.db2.gz	VGRJRMZSYLAWNY-MRXNPFEDSA-N	0	3	315.461	2.914	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NCC2(C#N)CCC2)N(C)C)cc1	ZINC000419446380	428934108	/nfs/dbraw/zinc/93/41/08/428934108.db2.gz	OLYCIJXOCJJMJA-INIZCTEOSA-N	0	3	314.433	2.591	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)NCC1(C#N)CCC1)c1ccco1	ZINC000419513612	428935189	/nfs/dbraw/zinc/93/51/89/428935189.db2.gz	ZNBBBEOZYOKGSY-KBPBESRZSA-N	0	3	318.421	2.702	20	30		DFEDHN
C[C@H](NC(=O)NCC1(C#N)CCC1)[C@H](c1ccccc1)N(C)C	ZINC000419511838	428936210	/nfs/dbraw/zinc/93/62/10/428936210.db2.gz	WHMDJXKIWUEEIB-GOEBONIOSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCOCC2)[C@H]1C	ZINC000349232385	428944756	/nfs/dbraw/zinc/94/47/56/428944756.db2.gz	BSXPQIUQEHKCKA-JKSUJKDBSA-N	0	3	308.466	2.691	20	30		DFEDHN
COCCNCCNc1c(C#N)cnc2c(Cl)cc(C)cc21	ZINC000420218680	428949663	/nfs/dbraw/zinc/94/96/63/428949663.db2.gz	NJADFKSAPMJRLR-UHFFFAOYSA-N	0	3	318.808	2.716	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000363605733	428952112	/nfs/dbraw/zinc/95/21/12/428952112.db2.gz	HVYGUPNAWKCUSO-LZLYRXPVSA-N	0	3	313.445	2.751	20	30		DFEDHN
C[C@]1(F)CNCCN(c2c(C#N)cnc3c(F)cc(F)cc32)C1	ZINC000420269159	428952811	/nfs/dbraw/zinc/95/28/11/428952811.db2.gz	SVXWBGFMKZWVED-INIZCTEOSA-N	0	3	320.318	2.522	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000420819252	428963758	/nfs/dbraw/zinc/96/37/58/428963758.db2.gz	OBMBFAYRWSBCDP-IRXDYDNUSA-N	0	3	314.433	2.767	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412169236	428970720	/nfs/dbraw/zinc/97/07/20/428970720.db2.gz	IJNWZLTUDKSFHU-FGTMMUONSA-N	0	3	313.445	2.754	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412372092	429026763	/nfs/dbraw/zinc/02/67/63/429026763.db2.gz	AHOMYYNJFXHGGQ-MSOLQXFVSA-N	0	3	314.429	2.746	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCCC2)C1	ZINC000420966823	428973821	/nfs/dbraw/zinc/97/38/21/428973821.db2.gz	WIKOHSHQAGGOKI-QGPMSJSTSA-N	0	3	305.466	2.941	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccncc2C#N)[C@@H]1c1cccs1	ZINC000363738947	428982107	/nfs/dbraw/zinc/98/21/07/428982107.db2.gz	KBVAKCFQDMESMZ-SUMWQHHRSA-N	0	3	312.442	2.932	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000354433218	428983300	/nfs/dbraw/zinc/98/33/00/428983300.db2.gz	NVFGIZOACATFDN-HNAYVOBHSA-N	0	3	316.445	2.655	20	30		DFEDHN
N#CC(C(=O)c1ccn(Cc2ccccc2)c1)c1ccncn1	ZINC000354464634	428989052	/nfs/dbraw/zinc/98/90/52/428989052.db2.gz	JVYAXZGKGOYPHS-INIZCTEOSA-N	0	3	302.337	2.816	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)c(F)c2)C[C@@H](C)O1	ZINC000421333719	428989390	/nfs/dbraw/zinc/98/93/90/428989390.db2.gz	OTBKFSXYVOBEFA-ZIAGYGMSSA-N	0	3	319.424	2.675	20	30		DFEDHN
COCCn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21	ZINC000354479120	428991863	/nfs/dbraw/zinc/99/18/63/428991863.db2.gz	VXWPWMDRFUWWIY-AWEZNQCLSA-N	0	3	320.352	2.568	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@]12C[C@H]1CCC2	ZINC000421466378	428999076	/nfs/dbraw/zinc/99/90/76/428999076.db2.gz	HYXQSFUSKLRWRD-IEBWSBKVSA-N	0	3	311.429	2.639	20	30		DFEDHN
COC(=O)[C@H]1CN(CCC(C)(C)C#N)C[C@@H]1c1ccccc1	ZINC000451998808	429034267	/nfs/dbraw/zinc/03/42/67/429034267.db2.gz	BWACITUHPGPIKT-CVEARBPZSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)C1	ZINC000354590524	428999775	/nfs/dbraw/zinc/99/97/75/428999775.db2.gz	DUCKOLIQWSHCEU-SJLPKXTDSA-N	0	3	313.445	2.922	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@H]1C[C@H](OC)C12CCC2	ZINC000451856712	429000062	/nfs/dbraw/zinc/00/00/62/429000062.db2.gz	TYPKXPSTVZMUGM-IRXDYDNUSA-N	0	3	300.402	2.956	20	30		DFEDHN
C=C(C)COc1cc(CNCCc2ccn(C)n2)ccc1OC	ZINC000354636027	429001417	/nfs/dbraw/zinc/00/14/17/429001417.db2.gz	AKSSQXMIDBGUDW-UHFFFAOYSA-N	0	3	315.417	2.716	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCN(C(C)(C)CC(C)(C)C)CC2)C1=O	ZINC000451904995	429014104	/nfs/dbraw/zinc/01/41/04/429014104.db2.gz	SLQCLAIPUDBFBC-MRXNPFEDSA-N	0	3	321.509	2.606	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000424083637	429089504	/nfs/dbraw/zinc/08/95/04/429089504.db2.gz	NIJCEECGQJWXFW-JTQLQIEISA-N	0	3	303.259	2.804	20	30		DFEDHN
CCCC(=O)Nc1cccc(NC(=O)[C@@H](N)CCCC#N)c1C	ZINC000424103125	429090830	/nfs/dbraw/zinc/09/08/30/429090830.db2.gz	MMWGCOZGHWAHAZ-ZDUSSCGKSA-N	0	3	316.405	2.693	20	30		DFEDHN
COc1ccc(N(C(=O)[C@H](N)CCCC#N)[C@@H](C)C2CC2)cc1	ZINC000424115156	429092557	/nfs/dbraw/zinc/09/25/57/429092557.db2.gz	UIAABBDPDDRLOD-SUMWQHHRSA-N	0	3	315.417	2.848	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1	ZINC000424111320	429092954	/nfs/dbraw/zinc/09/29/54/429092954.db2.gz	GCMUGGZBHVIHGD-FGTMMUONSA-N	0	3	313.445	2.925	20	30		DFEDHN
CCc1ccc(C(C)(C)CNC(=O)[C@H](N)CCCC#N)cc1	ZINC000424115974	429093350	/nfs/dbraw/zinc/09/33/50/429093350.db2.gz	BBMMKQBEFXGTHS-MRXNPFEDSA-N	0	3	301.434	2.664	20	30		DFEDHN
CCC[C@@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424123512	429094244	/nfs/dbraw/zinc/09/42/44/429094244.db2.gz	KZTITEMYDLMCLA-DLBZAZTESA-N	0	3	301.434	2.925	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424125268	429094629	/nfs/dbraw/zinc/09/46/29/429094629.db2.gz	QKIQCYCROWHOBX-JKSUJKDBSA-N	0	3	305.397	2.530	20	30		DFEDHN
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000424119577	429094788	/nfs/dbraw/zinc/09/47/88/429094788.db2.gz	FURTUAUKQGCISZ-UGFHNGPFSA-N	0	3	323.824	2.553	20	30		DFEDHN
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H](N)CCCC#N)C1	ZINC000424125967	429095160	/nfs/dbraw/zinc/09/51/60/429095160.db2.gz	OJSOGFQMRUJOBN-WQVCFCJDSA-N	0	3	303.381	2.756	20	30		DFEDHN
COC1([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)CCOCC1	ZINC000421859519	429040530	/nfs/dbraw/zinc/04/05/30/429040530.db2.gz	FSKOLDKEPIMQSI-QWHCGFSZSA-N	0	3	306.381	2.932	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCC#N)C12CCCCC2	ZINC000424134215	429096708	/nfs/dbraw/zinc/09/67/08/429096708.db2.gz	YBZZVBNBJPQJCY-BZUAXINKSA-N	0	3	321.465	2.594	20	30		DFEDHN
CC(C)(C)C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000452080762	429051089	/nfs/dbraw/zinc/05/10/89/429051089.db2.gz	PGMALNYIKCQSSK-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)N(CC(=O)N(CCC#N)CCC#N)C1CC(C)(C)C1	ZINC000452106164	429059114	/nfs/dbraw/zinc/05/91/14/429059114.db2.gz	PIFFRLZHZDBFHZ-UHFFFAOYSA-N	0	3	304.438	2.541	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000452117695	429061882	/nfs/dbraw/zinc/06/18/82/429061882.db2.gz	FHUMAYOQAXXOGL-KSSFIOAISA-N	0	3	322.412	2.588	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CN(C)C)cc1F	ZINC000412574326	429063990	/nfs/dbraw/zinc/06/39/90/429063990.db2.gz	MDXWTADFBPMKBO-UHFFFAOYSA-N	0	3	300.337	2.648	20	30		DFEDHN
N#CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCC1	ZINC000376282125	429088032	/nfs/dbraw/zinc/08/80/32/429088032.db2.gz	PMIYKWIVOKHXSU-MSOLQXFVSA-N	0	3	323.440	2.946	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453369902	429147551	/nfs/dbraw/zinc/14/75/51/429147551.db2.gz	TWOKSGVEINASLT-KYOSRNDESA-N	0	3	306.362	2.988	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)s1	ZINC000487296765	429148381	/nfs/dbraw/zinc/14/83/81/429148381.db2.gz	OUINSJBSAHHQJX-ZDUSSCGKSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=CCn1c(N2CCCN(C(C)C)CC2)nnc1C(C)(C)C	ZINC000453436907	429150051	/nfs/dbraw/zinc/15/00/51/429150051.db2.gz	IOSHLGGUGRHUFL-UHFFFAOYSA-N	0	3	305.470	2.682	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCCN(C(C)C)CC1	ZINC000453454114	429150145	/nfs/dbraw/zinc/15/01/45/429150145.db2.gz	PTTRYMFCHSUSIB-UHFFFAOYSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453453139	429150280	/nfs/dbraw/zinc/15/02/80/429150280.db2.gz	NLGGORIQBPAWOH-MRXNPFEDSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c(N2CCN([C@H](C)CC)CC2)nnc1C(C)(C)C	ZINC000453433118	429151310	/nfs/dbraw/zinc/15/13/10/429151310.db2.gz	FXNZMLSSIJMXRV-CQSZACIVSA-N	0	3	305.470	2.682	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000453448292	429151387	/nfs/dbraw/zinc/15/13/87/429151387.db2.gz	POFYGENLXHPJBW-OFQRWUPVSA-N	0	3	315.465	2.508	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)[C@H](N)CCCC#N	ZINC000424172937	429104134	/nfs/dbraw/zinc/10/41/34/429104134.db2.gz	ONIKZQZVVDNGKW-XHBSWPGZSA-N	0	3	303.381	2.681	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	ZINC000424188674	429108896	/nfs/dbraw/zinc/10/88/96/429108896.db2.gz	YLUMEFQTHZIYCA-NEPJUHHUSA-N	0	3	317.355	2.589	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](N)c2ccccc2CC)CCOCC1	ZINC000424200803	429109278	/nfs/dbraw/zinc/10/92/78/429109278.db2.gz	RIPDURDTUHOMIN-KRWDZBQOSA-N	0	3	316.445	2.738	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccco2)cc1	ZINC000412940303	429113171	/nfs/dbraw/zinc/11/31/71/429113171.db2.gz	ITLZMAFNXZCUQX-ARFHVFGLSA-N	0	3	305.337	2.506	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376455432	429116180	/nfs/dbraw/zinc/11/61/80/429116180.db2.gz	QGYRJIRJQJMTDL-YJBOKZPZSA-N	0	3	323.440	2.675	20	30		DFEDHN
CC(C)N1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435004762	429118461	/nfs/dbraw/zinc/11/84/61/429118461.db2.gz	LAYJUMVOEYQECL-UHFFFAOYSA-N	0	3	311.429	2.533	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cccc(CC#N)c1	ZINC000454343949	429165090	/nfs/dbraw/zinc/16/50/90/429165090.db2.gz	OGLPNEZFRPCSJB-CQSZACIVSA-N	0	3	300.406	2.749	20	30		DFEDHN
Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1C#N	ZINC000488131027	429177378	/nfs/dbraw/zinc/17/73/78/429177378.db2.gz	GHNIXXLKVUFKHG-PKOBYXMFSA-N	0	3	323.440	2.842	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2nccc(C#N)c2Cl)C[C@@H](C)C1	ZINC000488754418	429195498	/nfs/dbraw/zinc/19/54/98/429195498.db2.gz	UWGWHCUMZXKKQO-OUCADQQQSA-N	0	3	304.825	2.773	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H](C)C1	ZINC000488736424	429192358	/nfs/dbraw/zinc/19/23/58/429192358.db2.gz	PYZJKLYMMNHAFH-PMUMKWKESA-N	0	3	310.445	2.608	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455658562	429193151	/nfs/dbraw/zinc/19/31/51/429193151.db2.gz	DTYSFPOKPYNLJK-OAHLLOKOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1	ZINC000439688301	429220222	/nfs/dbraw/zinc/22/02/22/429220222.db2.gz	QAQGOBQUAKYPHM-CYBMUJFWSA-N	0	3	305.447	2.860	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC(C)(C)N1CCC[C@H](CC)C1	ZINC000489250749	429225451	/nfs/dbraw/zinc/22/54/51/429225451.db2.gz	ISNOYQQJOVPVIV-HNNXBMFYSA-N	0	3	316.511	2.773	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC[C@H](C)C1	ZINC000455927422	429225599	/nfs/dbraw/zinc/22/55/99/429225599.db2.gz	ZZYBUNHNHROLPB-GJZGRUSLSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@H](CC)C1	ZINC000441624706	429231215	/nfs/dbraw/zinc/23/12/15/429231215.db2.gz	WZWJZQJHFBKSOI-IAGOWNOFSA-N	0	3	321.486	2.982	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2ncc(C#N)cc2Cl)C[C@@H](C)C1	ZINC000488757859	429197501	/nfs/dbraw/zinc/19/75/01/429197501.db2.gz	ISHHDUPTDMRVMA-HUBLWGQQSA-N	0	3	304.825	2.773	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455709075	429201900	/nfs/dbraw/zinc/20/19/00/429201900.db2.gz	VCEXPSYDDTXYGI-UHFFFAOYSA-N	0	3	320.824	2.966	20	30		DFEDHN
Cc1cc(C)n(C[C@H]2CCCCN2Cc2cc(C#N)n(C)c2)n1	ZINC000365235417	429283741	/nfs/dbraw/zinc/28/37/41/429283741.db2.gz	VJTITKTZWMQGAN-QGZVFWFLSA-N	0	3	311.433	2.765	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C1CC1)N1CCCC1	ZINC000425127342	429236149	/nfs/dbraw/zinc/23/61/49/429236149.db2.gz	IUZPOSMPTFXKLN-RDTXWAMCSA-N	0	3	311.429	2.952	20	30		DFEDHN
CCN1CCN(Cc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)CC1	ZINC000442870473	429239834	/nfs/dbraw/zinc/23/98/34/429239834.db2.gz	DAULZFRXKGCPGY-IEBWSBKVSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(OCC)cc1	ZINC000489431150	429240608	/nfs/dbraw/zinc/24/06/08/429240608.db2.gz	PRFDCOLGJCGLQF-JKSUJKDBSA-N	0	3	305.418	2.866	20	30		DFEDHN
CCOC1CC(N(C)C(=O)C(C#N)CCc2ccccc2)C1	ZINC000489469716	429245080	/nfs/dbraw/zinc/24/50/80/429245080.db2.gz	BTUCFXHUVJKCMT-GTPINHCMSA-N	0	3	300.402	2.785	20	30		DFEDHN
C=CCCS(=O)(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000443071648	429245874	/nfs/dbraw/zinc/24/58/74/429245874.db2.gz	COFGYCCFKUUZEU-UHFFFAOYSA-N	0	3	314.495	2.528	20	30		DFEDHN
C[C@H]1CC[C@@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1	ZINC000364675842	429248454	/nfs/dbraw/zinc/24/84/54/429248454.db2.gz	MSBPKEJHSBSINP-HNAYVOBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
N#Cc1ccc(CNc2cnn(CCN3CCCCC3)c2)cc1	ZINC000364710382	429253835	/nfs/dbraw/zinc/25/38/35/429253835.db2.gz	OFJALXGEXWFBLI-UHFFFAOYSA-N	0	3	309.417	2.853	20	30		DFEDHN
C=CCOCCN1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000495730406	429254236	/nfs/dbraw/zinc/25/42/36/429254236.db2.gz	QHERTEGQBOZLJN-SFHVURJKSA-N	0	3	324.465	2.912	20	30		DFEDHN
CC(C)NC(=O)OC[C@@H]1CCCCN1CCCSCC#N	ZINC000495750983	429258899	/nfs/dbraw/zinc/25/88/99/429258899.db2.gz	UXIJXMOROHMMEM-AWEZNQCLSA-N	0	3	313.467	2.622	20	30		DFEDHN
Cc1cc(CN[C@H](Cc2ccccc2)C(=O)N(C)C)ccc1C#N	ZINC000443994857	429260123	/nfs/dbraw/zinc/26/01/23/429260123.db2.gz	UFLBKCURQNMVKW-LJQANCHMSA-N	0	3	321.424	2.656	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)NCC(=O)OC(C)(C)C)CCCC1(C)C	ZINC000444786772	429276920	/nfs/dbraw/zinc/27/69/20/429276920.db2.gz	VQPVWMFXSPLGOR-AWEZNQCLSA-N	0	3	324.465	2.511	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@H]1c2ccccc2CC[C@H]1CO	ZINC000365227091	429282640	/nfs/dbraw/zinc/28/26/40/429282640.db2.gz	XQYYSVOLUZMZCH-FXAWDEMLSA-N	0	3	322.408	2.823	20	30		DFEDHN
CC[C@@H](C)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000456526842	429318064	/nfs/dbraw/zinc/31/80/64/429318064.db2.gz	IRWUPLGIRFAYNY-SJLPKXTDSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000448900321	429320016	/nfs/dbraw/zinc/32/00/16/429320016.db2.gz	QGWAHAREPIWQNE-OIISXLGYSA-N	0	3	316.445	2.823	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)C2=CCCCC2)CC1	ZINC000491041255	429320198	/nfs/dbraw/zinc/32/01/98/429320198.db2.gz	YHAURJIJFQASDE-UHFFFAOYSA-N	0	3	302.462	2.974	20	30		DFEDHN
C#CCNC(=O)CCN1CCC(=Cc2ccc(F)c(F)c2)CC1	ZINC000491069850	429320768	/nfs/dbraw/zinc/32/07/68/429320768.db2.gz	YZEIGQGPSQGDGM-UHFFFAOYSA-N	0	3	318.367	2.584	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000491096228	429324422	/nfs/dbraw/zinc/32/44/22/429324422.db2.gz	QKWRSZWEFJNJEW-GOEBONIOSA-N	0	3	320.383	2.624	20	30		DFEDHN
C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1C#N	ZINC000503403577	429333205	/nfs/dbraw/zinc/33/32/05/429333205.db2.gz	VZEJOHGSGWBMGE-LERXQTSPSA-N	0	3	323.343	2.635	20	30		DFEDHN
C#C[C@@H](NC(=O)CCN(C)c1ccncc1)c1ccc(F)cc1	ZINC000491240808	429338085	/nfs/dbraw/zinc/33/80/85/429338085.db2.gz	CWGWVEPHXJTNPV-QGZVFWFLSA-N	0	3	311.360	2.538	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491241603	429338111	/nfs/dbraw/zinc/33/81/11/429338111.db2.gz	KFGMUJNLLXZAIT-RDJZCZTQSA-N	0	3	302.393	2.566	20	30		DFEDHN
N#Cc1c(F)ccc(CNC[C@@H]2CCn3ccnc3C2)c1Cl	ZINC000365556901	429340478	/nfs/dbraw/zinc/34/04/78/429340478.db2.gz	OIRVQUFJMSXRNO-LLVKDONJSA-N	0	3	318.783	2.899	20	30		DFEDHN
CN(C)CCOc1ccccc1C(=O)Nc1cccc(CC#N)c1	ZINC000456723259	429341999	/nfs/dbraw/zinc/34/19/99/429341999.db2.gz	DFBFWJUNAFLOIE-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
C#CCN(C)CCCNC(=O)/C=C(/c1ccccc1)C(F)(F)F	ZINC000491306771	429345292	/nfs/dbraw/zinc/34/52/92/429345292.db2.gz	NPWGWMRJEGDJCP-SQFISAMPSA-N	0	3	324.346	2.704	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCC2(C#N)CCC2)C1	ZINC000495939920	429295964	/nfs/dbraw/zinc/29/59/64/429295964.db2.gz	FKFYZPIMSYKCKC-CXAGYDPISA-N	0	3	305.422	2.527	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC(C#N)CC1	ZINC000446583775	429299607	/nfs/dbraw/zinc/29/96/07/429299607.db2.gz	FCLUCDUWPVUXKW-UHFFFAOYSA-N	0	3	300.406	2.558	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1NC(C)=O	ZINC000447560850	429304569	/nfs/dbraw/zinc/30/45/69/429304569.db2.gz	FXMDVBQGRGDNJW-DZGCQCFKSA-N	0	3	301.390	2.826	20	30		DFEDHN
C=CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000447953557	429308733	/nfs/dbraw/zinc/30/87/33/429308733.db2.gz	TTZWPFAXAJCEKE-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1Cl	ZINC000447981496	429309390	/nfs/dbraw/zinc/30/93/90/429309390.db2.gz	FTVAFVMUVDTKFZ-GOEBONIOSA-N	0	3	311.809	2.534	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1	ZINC000496121022	429309981	/nfs/dbraw/zinc/30/99/81/429309981.db2.gz	IALYXWHUPUHVBD-CAOSSQGBSA-N	0	3	319.449	2.867	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)CCc1ccc(C#N)cc1	ZINC000078614927	275584029	/nfs/dbraw/zinc/58/40/29/275584029.db2.gz	GHWAYSOVADUZOG-KRWDZBQOSA-N	0	3	301.434	2.583	20	30		DFEDHN
CCOC(=O)N[C@@H](CNCc1ccc(C#N)c(F)c1)CC(C)C	ZINC000496573925	429314735	/nfs/dbraw/zinc/31/47/35/429314735.db2.gz	VVWLXJOKFWRASW-OAHLLOKOSA-N	0	3	321.396	2.948	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000457078281	429391829	/nfs/dbraw/zinc/39/18/29/429391829.db2.gz	AQLNGUQDKWULQQ-QGZVFWFLSA-N	0	3	311.429	2.531	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000491727224	429397659	/nfs/dbraw/zinc/39/76/59/429397659.db2.gz	BOCQYCZAMZGHMU-KBAYOESNSA-N	0	3	313.445	2.751	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491742448	429399998	/nfs/dbraw/zinc/39/99/98/429399998.db2.gz	QDQJXOZXBSCWGP-ZBFHGGJFSA-N	0	3	302.393	2.518	20	30		DFEDHN
C#C[C@@H](NC(=O)NC1CCN(CC)CC1)c1ccc(Cl)cc1	ZINC000491752705	429403744	/nfs/dbraw/zinc/40/37/44/429403744.db2.gz	ZBNCJKUMMUFEOW-MRXNPFEDSA-N	0	3	319.836	2.798	20	30		DFEDHN
C#C[C@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)C	ZINC000491754631	429403826	/nfs/dbraw/zinc/40/38/26/429403826.db2.gz	UKYJKQQWRIEGHU-KRWDZBQOSA-N	0	3	317.433	2.543	20	30		DFEDHN
C#CCN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000491773291	429404926	/nfs/dbraw/zinc/40/49/26/429404926.db2.gz	RJUUEUNGPOHMPS-ROUUACIJSA-N	0	3	312.413	2.647	20	30		DFEDHN
C#C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(F)cc1	ZINC000491791863	429409126	/nfs/dbraw/zinc/40/91/26/429409126.db2.gz	CFLYTIFFGNDTJY-GOSISDBHSA-N	0	3	310.372	2.992	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cccc(F)c1Br	ZINC000449203006	429356562	/nfs/dbraw/zinc/35/65/62/429356562.db2.gz	JTFYBFVHTCAFNA-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
C#CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)C1CC1	ZINC000491535823	429370936	/nfs/dbraw/zinc/37/09/36/429370936.db2.gz	FZYXRHJYTOPVGP-CHWSQXEVSA-N	0	3	316.367	2.519	20	30		DFEDHN
C#C[C@H](C)N(C)C[C@@H](O)COc1c(Cl)cccc1Cl	ZINC000491538376	429371717	/nfs/dbraw/zinc/37/17/17/429371717.db2.gz	YOMJRXKZSHTWDN-WDEREUQCSA-N	0	3	302.201	2.687	20	30		DFEDHN
C#CCNC(=O)CCN1CC=C(c2c(C)[nH]c3ccccc32)CC1	ZINC000491553563	429373338	/nfs/dbraw/zinc/37/33/38/429373338.db2.gz	AVLXWHKRIOAMLM-UHFFFAOYSA-N	0	3	321.424	2.705	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cccc(SCC)c2)CC1	ZINC000491616989	429378897	/nfs/dbraw/zinc/37/88/97/429378897.db2.gz	ATYVERHVJMDOOM-UHFFFAOYSA-N	0	3	316.470	2.760	20	30		DFEDHN
C=CCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000365824062	429380021	/nfs/dbraw/zinc/38/00/21/429380021.db2.gz	JRPIQVFINGRRFN-QGZVFWFLSA-N	0	3	301.434	2.766	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000491632203	429381932	/nfs/dbraw/zinc/38/19/32/429381932.db2.gz	QQKRFICIASQRLD-CABCVRRESA-N	0	3	319.474	2.623	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@H](O)CNCC2(CC#N)CC2)c1	ZINC000516922495	429385490	/nfs/dbraw/zinc/38/54/90/429385490.db2.gz	FENVUFYEIMPKSY-CYBMUJFWSA-N	0	3	308.809	2.672	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2nc3ccccc3o2)CC1	ZINC000517304649	429388098	/nfs/dbraw/zinc/38/80/98/429388098.db2.gz	VPQDBWDKJMSCMO-UHFFFAOYSA-N	0	3	313.401	2.527	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000492026700	429454424	/nfs/dbraw/zinc/45/44/24/429454424.db2.gz	UQELVRLHSXHBAC-TZMCWYRMSA-N	0	3	317.389	2.528	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCCC[C@H]1C	ZINC000457443447	429465760	/nfs/dbraw/zinc/46/57/60/429465760.db2.gz	NHPDNYNMYJSQEW-YYIAUSFCSA-N	0	3	308.466	2.737	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000457459600	429468615	/nfs/dbraw/zinc/46/86/15/429468615.db2.gz	PVHZOTIPPWJWEB-QGZVFWFLSA-N	0	3	301.434	2.734	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](CO)[C@@H]2CC)cc(OC)c1O	ZINC000449419760	429412190	/nfs/dbraw/zinc/41/21/90/429412190.db2.gz	HXFYSOLQPLHWST-HOTGVXAUSA-N	0	3	305.418	2.722	20	30		DFEDHN
CC[C@H](NCc1cccc(OCCCC#N)c1)[C@H](O)C(F)F	ZINC000449425134	429414298	/nfs/dbraw/zinc/41/42/98/429414298.db2.gz	RDUAXVGYRDGGPF-GJZGRUSLSA-N	0	3	312.360	2.863	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000449874830	429529696	/nfs/dbraw/zinc/52/96/96/429529696.db2.gz	XPQGWHDNOIIFBI-KRWDZBQOSA-N	0	3	322.412	2.589	20	30		DFEDHN
CN(CCCNC(=O)N(C)CC(C)(C)C#N)Cc1ccccc1	ZINC000457524571	429482047	/nfs/dbraw/zinc/48/20/47/429482047.db2.gz	YAZLHZJJDVSXRN-UHFFFAOYSA-N	0	3	316.449	2.700	20	30		DFEDHN
N#CCCn1cc(CNC[C@@H](O)C2CCC2)c(-c2ccccc2)n1	ZINC000449738699	429493022	/nfs/dbraw/zinc/49/30/22/429493022.db2.gz	DUJWFUSIXYLUNU-GOSISDBHSA-N	0	3	324.428	2.714	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@@H](O)C2CCC2)ccc1OC	ZINC000449740815	429493520	/nfs/dbraw/zinc/49/35/20/429493520.db2.gz	RAYIGPHIASENDC-MRXNPFEDSA-N	0	3	305.418	2.901	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1CS2)C(C)C	ZINC000457759161	429521875	/nfs/dbraw/zinc/52/18/75/429521875.db2.gz	VXROFBFKJMVTMJ-HRCADAONSA-N	0	3	323.506	2.584	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCOCC2	ZINC000367009452	429558662	/nfs/dbraw/zinc/55/86/62/429558662.db2.gz	LRYJVXOEYYHTPU-DLBZAZTESA-N	0	3	318.392	2.761	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1Cl)c1cccs1	ZINC000429210082	429586297	/nfs/dbraw/zinc/58/62/97/429586297.db2.gz	GSOGAISJHCLFAH-LLVKDONJSA-N	0	3	306.822	3.383	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000457818030	429534167	/nfs/dbraw/zinc/53/41/67/429534167.db2.gz	QVXCPKIWTXSZLV-YYWYGQEZSA-N	0	3	320.477	2.546	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2ccncc2C#N)CC1	ZINC000366942578	429543649	/nfs/dbraw/zinc/54/36/49/429543649.db2.gz	FFWWUOIRDYATOD-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CC1	ZINC000458339687	429623021	/nfs/dbraw/zinc/62/30/21/429623021.db2.gz	TWQRDKVYRKOEMY-DLBZAZTESA-N	0	3	307.482	2.959	20	30		DFEDHN
CCC(=Nn1cnnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000492907904	429642409	/nfs/dbraw/zinc/64/24/09/429642409.db2.gz	RGVVRMSAZGCPGR-ZDUSSCGKSA-N	0	3	307.398	2.682	20	30		DFEDHN
Cc1cc(NC(=O)c2ccc(C#N)o2)ccc1OCCN(C)C	ZINC000458193785	429598387	/nfs/dbraw/zinc/59/83/87/429598387.db2.gz	DGTGMOANEWQOFS-UHFFFAOYSA-N	0	3	313.357	2.652	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CCCC)[C@@H](C)c1ccccc1	ZINC000523450117	429606593	/nfs/dbraw/zinc/60/65/93/429606593.db2.gz	ILADMPVHMAEPIZ-HNNXBMFYSA-N	0	3	317.433	2.862	20	30		DFEDHN
Cc1c([C@H]2CCCN2CCOc2cccc(C#N)c2)cnn1C	ZINC000367271331	429610147	/nfs/dbraw/zinc/61/01/47/429610147.db2.gz	RKZSNBDLLDWIJC-GOSISDBHSA-N	0	3	310.401	2.816	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1	ZINC000458269981	429611644	/nfs/dbraw/zinc/61/16/44/429611644.db2.gz	HLEIYVAZMMPZIB-INIZCTEOSA-N	0	3	307.369	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc(F)c(C)c2)CC1	ZINC000492770272	429612023	/nfs/dbraw/zinc/61/20/23/429612023.db2.gz	GKZTZANUOOCGAZ-ALCCZGGFSA-N	0	3	302.393	2.914	20	30		DFEDHN
Cc1ccc(CCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000430181794	429658588	/nfs/dbraw/zinc/65/85/88/429658588.db2.gz	WHVNGZBCUIRQST-SFHVURJKSA-N	0	3	322.412	2.743	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)ccc1F	ZINC000367530565	429666366	/nfs/dbraw/zinc/66/63/66/429666366.db2.gz	GJLAUZBGGYINPG-MRXNPFEDSA-N	0	3	315.392	2.788	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000367567293	429673218	/nfs/dbraw/zinc/67/32/18/429673218.db2.gz	VEITXSHYZMUYOY-IAGOWNOFSA-N	0	3	310.401	2.616	20	30		DFEDHN
CCCN1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000367572764	429673758	/nfs/dbraw/zinc/67/37/58/429673758.db2.gz	FXYREFPWBPGWSI-UHFFFAOYSA-N	0	3	305.809	2.770	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000367614237	429686256	/nfs/dbraw/zinc/68/62/56/429686256.db2.gz	FXZJIZHIXOOGJD-XNRPHZJLSA-N	0	3	305.447	2.797	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H](C[C@@H]4CCOC4)C3)n2c1	ZINC000367687344	429700291	/nfs/dbraw/zinc/70/02/91/429700291.db2.gz	QGULKPPXPWSDDO-HOTGVXAUSA-N	0	3	324.428	2.845	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)C[C@@H](C)C(=O)OC(C)(C)C	ZINC000459828432	429702232	/nfs/dbraw/zinc/70/22/32/429702232.db2.gz	ODHDEUVIGVKRCN-CYBMUJFWSA-N	0	3	318.417	2.976	20	30		DFEDHN
Cc1cc(C#N)nc(NC2CCN(Cc3cccs3)CC2)n1	ZINC000367715699	429705340	/nfs/dbraw/zinc/70/53/40/429705340.db2.gz	LBSVJTXHMKLDII-UHFFFAOYSA-N	0	3	313.430	2.795	20	30		DFEDHN
CC[C@@H]1CN(CC)CCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000450829626	429708709	/nfs/dbraw/zinc/70/87/09/429708709.db2.gz	MKILGCRXDNMJRU-LLVKDONJSA-N	0	3	312.339	2.893	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCCN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000367732931	429709526	/nfs/dbraw/zinc/70/95/26/429709526.db2.gz	FOCAFHZXTBVKTQ-INIZCTEOSA-N	0	3	321.428	2.758	20	30		DFEDHN
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(CC#N)CC1	ZINC000430755720	429714966	/nfs/dbraw/zinc/71/49/66/429714966.db2.gz	RJNAVPKTAKFPQW-LBPRGKRZSA-N	0	3	316.361	2.595	20	30		DFEDHN
C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)CC12CCCCC2	ZINC000527128521	429726705	/nfs/dbraw/zinc/72/67/05/429726705.db2.gz	OCMCYQCJVYMEDZ-HNNXBMFYSA-N	0	3	303.450	2.841	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000483250325	429731975	/nfs/dbraw/zinc/73/19/75/429731975.db2.gz	NRFLOCWGBJXHGN-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)(O)CN(Cc1ccc(C#N)cc1Cl)C1CCOCC1	ZINC000527385223	429749355	/nfs/dbraw/zinc/74/93/55/429749355.db2.gz	XKKCJKXCBCFLTM-UHFFFAOYSA-N	0	3	322.836	2.964	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1F	ZINC000368286029	429824735	/nfs/dbraw/zinc/82/47/35/429824735.db2.gz	CCQYQVALGNMKNC-IBGZPJMESA-N	0	3	310.372	2.833	20	30		DFEDHN
CC(C)O[C@@H]1C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000451487304	429834524	/nfs/dbraw/zinc/83/45/24/429834524.db2.gz	BMALEYBSMNTNGT-HUUCEWRRSA-N	0	3	321.465	2.511	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000451483633	429834934	/nfs/dbraw/zinc/83/49/34/429834934.db2.gz	YJVUONKJHINSAA-USXIJHARSA-N	0	3	300.402	2.860	20	30		DFEDHN
COc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1C#N	ZINC000368353566	429836875	/nfs/dbraw/zinc/83/68/75/429836875.db2.gz	BDYJIOHEKQCYRU-KRWDZBQOSA-N	0	3	300.402	2.815	20	30		DFEDHN
CC(C)[C@@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000528129420	429851772	/nfs/dbraw/zinc/85/17/72/429851772.db2.gz	ZYCDODAJZPGVBG-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000528127940	429851803	/nfs/dbraw/zinc/85/18/03/429851803.db2.gz	UDOBAJFYZGESSD-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
CCN(CCCSCC#N)C1CN(C(=O)OC(C)(C)C)C1	ZINC000493981344	429852706	/nfs/dbraw/zinc/85/27/06/429852706.db2.gz	KHSUPMFCPMINFC-UHFFFAOYSA-N	0	3	313.467	2.574	20	30		DFEDHN
CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCO1	ZINC000182299861	276587375	/nfs/dbraw/zinc/58/73/75/276587375.db2.gz	UYYQWVKJXRBYMT-CQDKDKBSSA-N	0	3	319.405	2.642	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](CCC)c1ccccc1	ZINC000451595090	429859975	/nfs/dbraw/zinc/85/99/75/429859975.db2.gz	CEOPEYYIGZPQLW-DDBAPUKQSA-N	0	3	316.445	2.966	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1	ZINC000451604024	429860886	/nfs/dbraw/zinc/86/08/86/429860886.db2.gz	FMASBFQIMNTXSY-XKQJLSEDSA-N	0	3	320.408	2.668	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(Cl)c1C	ZINC000451608266	429861474	/nfs/dbraw/zinc/86/14/74/429861474.db2.gz	ROFJDRBAPBIQOP-GLQYFDAESA-N	0	3	308.809	2.909	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451636281	429864716	/nfs/dbraw/zinc/86/47/16/429864716.db2.gz	ZHMXKWJYEWKGPH-VCTAVGKDSA-N	0	3	321.808	2.696	20	30		DFEDHN
Cc1ccc(C#N)c(Nc2cnn(CCN3CCCCC3)c2)n1	ZINC000368551176	429865733	/nfs/dbraw/zinc/86/57/33/429865733.db2.gz	NLMXWUODUWJNGX-UHFFFAOYSA-N	0	3	310.405	2.688	20	30		DFEDHN
N#Cc1ccc2ncc(CNCC3(c4ccccn4)CCC3)n2c1	ZINC000368607068	429877209	/nfs/dbraw/zinc/87/72/09/429877209.db2.gz	GLNXFSVUSNENEJ-UHFFFAOYSA-N	0	3	317.396	2.812	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(OC3CCCCC3)CC2)CC1	ZINC000528363291	429879143	/nfs/dbraw/zinc/87/91/43/429879143.db2.gz	DFTAJIUTAHXKND-HNNXBMFYSA-N	0	3	306.450	2.855	20	30		DFEDHN
CC1(C)CC[C@H](N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1	ZINC000368633316	429880324	/nfs/dbraw/zinc/88/03/24/429880324.db2.gz	QPZBZYVBIHSRIV-TYILLQQXSA-N	0	3	309.413	2.911	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccncc1	ZINC000528422750	429887239	/nfs/dbraw/zinc/88/72/39/429887239.db2.gz	FOTNIFBODXJPEE-ZWKOTPCHSA-N	0	3	323.396	2.530	20	30		DFEDHN
C[C@@]1(c2ccc(F)cc2)CCN(C[C@H](O)CC2(C#N)CC2)C1	ZINC000528488034	429892836	/nfs/dbraw/zinc/89/28/36/429892836.db2.gz	NDJQYPIKGFJKGE-IAGOWNOFSA-N	0	3	302.393	2.844	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@H](c2cccc(OC)c2)C(C)(C)C1	ZINC000528621168	429902269	/nfs/dbraw/zinc/90/22/69/429902269.db2.gz	OPNQWCDUYFIYKP-WMLDXEAASA-N	0	3	316.445	2.811	20	30		DFEDHN
COC[C@@]1(NCc2ccc(C#N)cc2C)COc2ccccc2C1	ZINC000528750724	429912564	/nfs/dbraw/zinc/91/25/64/429912564.db2.gz	WBHWZOFZIBPJEU-HXUWFJFHSA-N	0	3	322.408	2.977	20	30		DFEDHN
Cc1nc([C@@H]2CCCN(CCCC3(C#N)CCOCC3)C2)no1	ZINC000369202247	429919177	/nfs/dbraw/zinc/91/91/77/429919177.db2.gz	HLVYBYMIVJTYQS-OAHLLOKOSA-N	0	3	318.421	2.658	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccccc1)C1CC1	ZINC000451673557	429871000	/nfs/dbraw/zinc/87/10/00/429871000.db2.gz	LEFWJXZGRPHQJI-MSOLQXFVSA-N	0	3	314.429	2.501	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(OCc3ccccc3)CC2)CC1	ZINC000528335166	429874851	/nfs/dbraw/zinc/87/48/51/429874851.db2.gz	CQQOYXBINOQNQO-KRWDZBQOSA-N	0	3	314.429	2.722	20	30		DFEDHN
CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1(C#N)CCC1	ZINC000558098398	429962238	/nfs/dbraw/zinc/96/22/38/429962238.db2.gz	KJADBPXBSYNTRC-KRWDZBQOSA-N	0	3	313.445	2.810	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc3c2OCC3)CC1	ZINC000529195104	429973775	/nfs/dbraw/zinc/97/37/75/429973775.db2.gz	OLGPIDZKNHNHSE-UHFFFAOYSA-N	0	3	315.417	2.784	20	30		DFEDHN
CC1(C)CCN(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000558674195	429984377	/nfs/dbraw/zinc/98/43/77/429984377.db2.gz	RXVXGJPWTBEEOV-UHFFFAOYSA-N	0	3	311.429	2.781	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1	ZINC000528917617	429932604	/nfs/dbraw/zinc/93/26/04/429932604.db2.gz	GLPKTPYKNNLVSL-GADBESIXSA-N	0	3	314.385	2.702	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)C1CCc2ccccc2CC1	ZINC000528923176	429934873	/nfs/dbraw/zinc/93/48/73/429934873.db2.gz	FBRKCVIMMDTGAR-GOSISDBHSA-N	0	3	324.424	2.949	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C[C@@H]2CCOC2)C1	ZINC000369420313	429940493	/nfs/dbraw/zinc/94/04/93/429940493.db2.gz	AFLVZKACPNLVRV-IRXDYDNUSA-N	0	3	308.466	2.550	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000369486740	429954415	/nfs/dbraw/zinc/95/44/15/429954415.db2.gz	SMVNZLGGLTZHBH-INIZCTEOSA-N	0	3	321.852	2.950	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCCCN1CC(C)C	ZINC000560330261	430031759	/nfs/dbraw/zinc/03/17/59/430031759.db2.gz	MXDFYVIWQGNQLU-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)cs1	ZINC000574475184	430046099	/nfs/dbraw/zinc/04/60/99/430046099.db2.gz	PVMLZWHDBGHAOV-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000529409761	429999714	/nfs/dbraw/zinc/99/97/14/429999714.db2.gz	JTXRAOODNWROPY-MRXNPFEDSA-N	0	3	315.417	2.522	20	30		DFEDHN
C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC2CCC1CC2	ZINC000574088592	430009074	/nfs/dbraw/zinc/00/90/74/430009074.db2.gz	FKJMPMHQXVTEAO-JASMASSESA-N	0	3	311.429	2.889	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000639919339	430022717	/nfs/dbraw/zinc/02/27/17/430022717.db2.gz	QPXWPQNQVOOUIX-UONOGXRCSA-N	0	3	303.324	2.656	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1scnc1C	ZINC000575052544	430054047	/nfs/dbraw/zinc/05/40/47/430054047.db2.gz	BBUTZGWAHYJLDA-OAHLLOKOSA-N	0	3	318.442	2.710	20	30		DFEDHN
Cc1cc(C#N)nc(N(CCN(C)C)CC2CCCCC2)n1	ZINC000561283218	430086000	/nfs/dbraw/zinc/08/60/00/430086000.db2.gz	PQGYGNLWPXYHFG-UHFFFAOYSA-N	0	3	301.438	2.605	20	30		DFEDHN
Cc1cc(NCCN2CCC2)n2c3ccccc3nc2c1C#N	ZINC000532781247	430154800	/nfs/dbraw/zinc/15/48/00/430154800.db2.gz	CKIKKKFLBMGTQF-UHFFFAOYSA-N	0	3	305.385	2.785	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(C)(C)C)CC1	ZINC000562649483	430159302	/nfs/dbraw/zinc/15/93/02/430159302.db2.gz	QNBJWVHJJRMTJX-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
Cc1ccccc1[C@H](CO)NCCC(=O)Nc1cccc(C#N)c1	ZINC000562703641	430169786	/nfs/dbraw/zinc/16/97/86/430169786.db2.gz	HXXXDBVXTNYZRN-SFHVURJKSA-N	0	3	323.396	2.519	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000562721417	430172114	/nfs/dbraw/zinc/17/21/14/430172114.db2.gz	RNBFWSLRMPBGDW-KBXCAEBGSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCCCCN1CCCN(Cc2nc([C@H](C)OC)no2)CC1	ZINC000580035614	430129366	/nfs/dbraw/zinc/12/93/66/430129366.db2.gz	YZMIQEFAECUMGC-HNNXBMFYSA-N	0	3	322.453	2.641	20	30		DFEDHN
C[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)cc1F	ZINC000541904806	430194542	/nfs/dbraw/zinc/19/45/42/430194542.db2.gz	PATHWMSCPSKBLP-GXTWGEPZSA-N	0	3	302.349	2.792	20	30		DFEDHN
Cc1ccncc1CN(C)CCC(=O)Nc1sccc1C#N	ZINC000581285768	430193571	/nfs/dbraw/zinc/19/35/71/430193571.db2.gz	NWBOKISYVBHVBM-UHFFFAOYSA-N	0	3	314.414	2.784	20	30		DFEDHN
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCNC2	ZINC000565146958	430203501	/nfs/dbraw/zinc/20/35/01/430203501.db2.gz	GBNXDRSJLCCJFJ-ZDUSSCGKSA-N	0	3	321.380	2.610	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N2CCCC[C@H]2CN(C)C)cc1	ZINC000565638559	430221823	/nfs/dbraw/zinc/22/18/23/430221823.db2.gz	XYANNMMMEQQETG-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cnc(-c2ccccc2)s1	ZINC000567113571	430277793	/nfs/dbraw/zinc/27/77/93/430277793.db2.gz	DIPOCBDOOZJMOR-GFCCVEGCSA-N	0	3	300.387	2.770	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](COC)C(C)C	ZINC000567520305	430283967	/nfs/dbraw/zinc/28/39/67/430283967.db2.gz	JYGSBTXDTWGISE-HOCLYGCPSA-N	0	3	324.490	2.912	20	30		DFEDHN
N#Cc1c(N[C@@H]2CCN(Cc3ccccc3)C2)nc2ccccn12	ZINC000542943802	430233235	/nfs/dbraw/zinc/23/32/35/430233235.db2.gz	ZFLBSIQWRJOCJG-MRXNPFEDSA-N	0	3	317.396	2.892	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC(CCC#N)CC1	ZINC000565949620	430236328	/nfs/dbraw/zinc/23/63/28/430236328.db2.gz	UHBOKKQXDXKWHU-UHFFFAOYSA-N	0	3	313.401	2.961	20	30		DFEDHN
C=CCn1cc(CN[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)nn1	ZINC000566096485	430241372	/nfs/dbraw/zinc/24/13/72/430241372.db2.gz	SLUWUZYRDRYRDZ-CQSZACIVSA-N	0	3	321.428	2.901	20	30		DFEDHN
C[C@H](CCNCc1cnc2c(C#N)cnn2c1)c1ccccc1	ZINC000582434891	430300648	/nfs/dbraw/zinc/30/06/48/430300648.db2.gz	OBUNTRUDILNFNK-CQSZACIVSA-N	0	3	305.385	2.884	20	30		DFEDHN
CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000567992100	430301686	/nfs/dbraw/zinc/30/16/86/430301686.db2.gz	INZISTKZDDYXAT-XHDPSFHLSA-N	0	3	323.824	2.537	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000568011774	430304978	/nfs/dbraw/zinc/30/49/78/430304978.db2.gz	JRMDXNSOALYEHG-CXAGYDPISA-N	0	3	311.429	2.856	20	30		DFEDHN
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)N1CCCC1	ZINC000545272425	430311381	/nfs/dbraw/zinc/31/13/81/430311381.db2.gz	HIAYXYQFLJYECN-KBXCAEBGSA-N	0	3	311.429	2.926	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](O)CC12CCC2	ZINC000568985675	430411935	/nfs/dbraw/zinc/41/19/35/430411935.db2.gz	PFKWVAIZNNUYSR-IRXDYDNUSA-N	0	3	312.413	2.665	20	30		DFEDHN
CC1(C(N)=O)CN(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000583378621	430389857	/nfs/dbraw/zinc/38/98/57/430389857.db2.gz	BMNVDXWSCRVXOE-UHFFFAOYSA-N	0	3	305.381	2.532	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(C#N)cc1	ZINC000583480303	430398636	/nfs/dbraw/zinc/39/86/36/430398636.db2.gz	JMMAHTPPGCYCNT-OAHLLOKOSA-N	0	3	300.406	2.800	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OCc2ccncc2)cc1	ZINC000641769275	430467331	/nfs/dbraw/zinc/46/73/31/430467331.db2.gz	RRECUNZYFYBRIF-GOSISDBHSA-N	0	3	310.397	2.525	20	30		DFEDHN
N#Cc1cnccc1Nc1cccc(CN2CCSCC2)c1	ZINC000547824615	430425107	/nfs/dbraw/zinc/42/51/07/430425107.db2.gz	JKNJZKJRCPPCLC-UHFFFAOYSA-N	0	3	310.426	2.668	20	30		DFEDHN
CC[C@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000569804383	430486225	/nfs/dbraw/zinc/48/62/25/430486225.db2.gz	QWAMXSNEGNYVCC-IAGOWNOFSA-N	0	3	320.458	2.746	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2ncccc2C#N)CC1	ZINC000548676972	430491477	/nfs/dbraw/zinc/49/14/77/430491477.db2.gz	WNIXFHGYGPEFAS-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)[C@H](n2cncn2)C1	ZINC000570076412	430510623	/nfs/dbraw/zinc/51/06/23/430510623.db2.gz	SXYGBMPBTHGOPW-KCPJHIHWSA-N	0	3	301.419	2.731	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C3CCC2CC3)c(OC)c1	ZINC000642525649	430517505	/nfs/dbraw/zinc/51/75/05/430517505.db2.gz	YWMIQZDTYWPRHR-OFLPRAFFSA-N	0	3	317.429	2.790	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NCCCN(C)Cc1ccccc1	ZINC000549086973	430517889	/nfs/dbraw/zinc/51/78/89/430517889.db2.gz	INJDAVYHNNCDSJ-UHFFFAOYSA-N	0	3	322.412	2.514	20	30		DFEDHN
CN1CC[C@@H](Nc2cc(C#N)nc(C3CC3)n2)[C@@H]1c1ccccc1	ZINC000601134394	430537427	/nfs/dbraw/zinc/53/74/27/430537427.db2.gz	BLBGNVXLCOTRPE-AEFFLSMTSA-N	0	3	319.412	3.083	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000550961850	430549064	/nfs/dbraw/zinc/54/90/64/430549064.db2.gz	MWASMFBIUSEVBQ-HNNXBMFYSA-N	0	3	322.412	2.512	20	30		DFEDHN
Cc1ccc(C(C)(C)CNCc2cnc3c(C#N)cnn3c2)cc1	ZINC000551907118	430568549	/nfs/dbraw/zinc/56/85/49/430568549.db2.gz	QZMBKAFQUQLXBO-UHFFFAOYSA-N	0	3	319.412	2.977	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H]1CNCCC1(F)F	ZINC000644045622	430653524	/nfs/dbraw/zinc/65/35/24/430653524.db2.gz	OBAVIOJSGSDGNN-LBPRGKRZSA-N	0	3	300.374	2.508	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNCc2cc3ccccc3o2)cc1	ZINC000554868405	430654728	/nfs/dbraw/zinc/65/47/28/430654728.db2.gz	DEIAMBUTDJHPRT-INIZCTEOSA-N	0	3	322.364	2.834	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC3CCC2CC3)cc1	ZINC000571234826	430615219	/nfs/dbraw/zinc/61/52/19/430615219.db2.gz	CIAAIOQNBPWGPQ-XAWIXRBMSA-N	0	3	307.397	2.935	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)cn1	ZINC000553752314	430622790	/nfs/dbraw/zinc/62/27/90/430622790.db2.gz	LRAAXXACJSSRSS-UHFFFAOYSA-N	0	3	314.433	2.680	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@](O)(CC)C2)cc(OC)c1O	ZINC000639385967	430629645	/nfs/dbraw/zinc/62/96/45/430629645.db2.gz	WPZBXKZDXRSTMZ-SFHVURJKSA-N	0	3	305.418	2.866	20	30		DFEDHN
CCN(C[C@H]1CCCN1CC)C(=O)Cc1c(F)cccc1C#N	ZINC000571473495	430630496	/nfs/dbraw/zinc/63/04/96/430630496.db2.gz	INJPKOLWJBNJNN-OAHLLOKOSA-N	0	3	317.408	2.573	20	30		DFEDHN
COc1ccc(CCCNC[C@@H](C#N)CCC#N)cc1OC	ZINC000554552111	430642517	/nfs/dbraw/zinc/64/25/17/430642517.db2.gz	AKGIAZMZGLVKSP-OAHLLOKOSA-N	0	3	301.390	2.670	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](CC2CC2)C1	ZINC000555696581	430672116	/nfs/dbraw/zinc/67/21/16/430672116.db2.gz	HMGOZQSTUBWMFA-GOEBONIOSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1ccnc(NC[C@@H]2CCCN(Cc3cccs3)C2)n1	ZINC000556196655	430681305	/nfs/dbraw/zinc/68/13/05/430681305.db2.gz	UVXVYGIBMFTIFH-ZDUSSCGKSA-N	0	3	313.430	2.734	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000661571618	430762479	/nfs/dbraw/zinc/76/24/79/430762479.db2.gz	YMIOXRCTHXVJOL-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000665019406	430803051	/nfs/dbraw/zinc/80/30/51/430803051.db2.gz	JYCBPMZVKKRZPS-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCC1(NCCS(=O)(=O)c2cccc(OC)c2)CCCC1	ZINC000661849048	430864846	/nfs/dbraw/zinc/86/48/46/430864846.db2.gz	RIPDVWJYQYRDIZ-UHFFFAOYSA-N	0	3	323.458	2.947	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)CN1CCC(C)CC1	ZINC000661894184	430884215	/nfs/dbraw/zinc/88/42/15/430884215.db2.gz	NSATXZXMARNMHY-YESZJQIVSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC[C@H]1CC[C@@H](NCC(=O)Nc2cc(OC)cc(OC)c2)C1	ZINC000651834213	430891667	/nfs/dbraw/zinc/89/16/67/430891667.db2.gz	JJZOWEJPKFPWQR-UONOGXRCSA-N	0	3	318.417	2.977	20	30		DFEDHN
C=CCN(CC=C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659028866	430945226	/nfs/dbraw/zinc/94/52/26/430945226.db2.gz	QRPGSJKKSOCACF-MRXNPFEDSA-N	0	3	301.390	2.553	20	30		DFEDHN
C=CC(C)(C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659045356	430951296	/nfs/dbraw/zinc/95/12/96/430951296.db2.gz	VRVDIKXBWHZSAC-OAHLLOKOSA-N	0	3	303.406	2.681	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCO[C@H]1CCCC[C@@H]1C	ZINC000662083634	430952764	/nfs/dbraw/zinc/95/27/64/430952764.db2.gz	IDANDEUOFTYIGF-FJIDUMEYSA-N	0	3	320.477	2.881	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(CC)[C@H]2CCN(C)C2)c1	ZINC000665848647	431050312	/nfs/dbraw/zinc/05/03/12/431050312.db2.gz	YFTBHMNHAWXGMC-HNNXBMFYSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC3CC2(C)C3)c(OC)c1	ZINC000662380172	431065826	/nfs/dbraw/zinc/06/58/26/431065826.db2.gz	LTMAOMFNUZAKKC-KOHRHEQBSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000665940848	431071524	/nfs/dbraw/zinc/07/15/24/431071524.db2.gz	OBSSWJWKIZHPPT-KRWDZBQOSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000665943314	431072619	/nfs/dbraw/zinc/07/26/19/431072619.db2.gz	RBDCKSARNZZWQW-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCCCCN(C)Cc1ccc(S(=O)(=O)NC)cc1	ZINC000659946119	431206259	/nfs/dbraw/zinc/20/62/59/431206259.db2.gz	FDJOQMBVPNLLII-UHFFFAOYSA-N	0	3	310.463	2.773	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)N[C@@H](CN)C(F)(F)F	ZINC000655917656	431219694	/nfs/dbraw/zinc/21/96/94/431219694.db2.gz	WKOVWFAYGFBHDE-LBPRGKRZSA-N	0	3	307.360	2.654	20	30		DFEDHN
C=CCC1(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CCOCC1	ZINC000662875828	431224011	/nfs/dbraw/zinc/22/40/11/431224011.db2.gz	XTELXVZOTKTRNR-HOCLYGCPSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=C(C)CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649752081	431273484	/nfs/dbraw/zinc/27/34/84/431273484.db2.gz	YNMWLJLVUOQJSL-RBUKOAKNSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C(C)C)C2(CO)CCCC2)nn1	ZINC000653756084	431513343	/nfs/dbraw/zinc/51/33/43/431513343.db2.gz	VGHQONPLMSRBIU-MRXNPFEDSA-N	0	3	306.454	2.521	20	30		DFEDHN
C=CCCn1cc(CN[C@@H]2CCOC3(CCCCC3)C2)nn1	ZINC000657398493	431727423	/nfs/dbraw/zinc/72/74/23/431727423.db2.gz	BWZCNBXMGWDMQF-OAHLLOKOSA-N	0	3	304.438	2.826	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1nc(C2CC2)no1	ZINC000661114431	431735960	/nfs/dbraw/zinc/73/59/60/431735960.db2.gz	HDZCXPYJZXNJDF-WCQYABFASA-N	0	3	304.394	2.610	20	30		DFEDHN
C=CCCOCCCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000654319731	431746214	/nfs/dbraw/zinc/74/62/14/431746214.db2.gz	PMVJEUGQMWPQEE-IAGOWNOFSA-N	0	3	308.466	2.883	20	30		DFEDHN
C=CCCn1cc(CNCC2(CCOC)CCCCC2)nn1	ZINC000657439887	431753665	/nfs/dbraw/zinc/75/36/65/431753665.db2.gz	QELMKQNNKSXZKM-UHFFFAOYSA-N	0	3	306.454	2.931	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCCN1C1CC1	ZINC000661070872	431722182	/nfs/dbraw/zinc/72/21/82/431722182.db2.gz	HHMSHMNFADRIGJ-IXDOHACOSA-N	0	3	303.450	2.896	20	30		DFEDHN
C=CCN(CCCOc1ccc2c(c1)OCO2)[C@H](C)COC	ZINC000661243976	431793478	/nfs/dbraw/zinc/79/34/78/431793478.db2.gz	ORJJSNPMJWWJSX-CQSZACIVSA-N	0	3	307.390	2.707	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccccc1Cl)[C@H](C)COC	ZINC000661248134	431795068	/nfs/dbraw/zinc/79/50/68/431795068.db2.gz	SCWUBFUFHOIBJJ-KGLIPLIRSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccc(Cl)cc1)[C@H](C)COC	ZINC000661247247	431795674	/nfs/dbraw/zinc/79/56/74/431795674.db2.gz	MNXRWDILANNWNN-HIFRSBDPSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=CCC1(NCc2ccc(OC)c(OC)c2OC)CCOCC1	ZINC000657633176	431830494	/nfs/dbraw/zinc/83/04/94/431830494.db2.gz	RPNCTTFGYBFISQ-UHFFFAOYSA-N	0	3	321.417	2.927	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2cccc(OC)c2)C1	ZINC000661376422	431837099	/nfs/dbraw/zinc/83/70/99/431837099.db2.gz	BWKCLFYVUHZHKQ-HNNXBMFYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CC[C@@H]1CCCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000661379258	431837665	/nfs/dbraw/zinc/83/76/65/431837665.db2.gz	WTSULNZFBBMCJE-AEFFLSMTSA-N	0	3	317.429	2.917	20	30		DFEDHN
Cc1nc(N2CC[C@@H](N3CCCC3)[C@H]2C)c(Cl)cc1C#N	ZINC000292504989	281935443	/nfs/dbraw/zinc/93/54/43/281935443.db2.gz	GBMPPNXJXMBTMS-IUODEOHRSA-N	0	3	304.825	2.978	20	30		DFEDHN
COc1cccc(COCCNCc2cc(C#N)cs2)c1	ZINC000158693961	295366132	/nfs/dbraw/zinc/36/61/32/295366132.db2.gz	KSYURBVJZVWGII-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCN(C2CCCCC2)CC1	ZINC000162942887	295418911	/nfs/dbraw/zinc/41/89/11/295418911.db2.gz	BCKHKWMJQFQVMM-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@]1(CO)CCCc2ccccc21	ZINC000440481820	297154236	/nfs/dbraw/zinc/15/42/36/297154236.db2.gz	NPBGZJNSUWNMEO-FQEVSTJZSA-N	0	3	322.408	2.751	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2cc(C#N)[nH]c2C)N(C)C)cc1	ZINC000448607312	297348363	/nfs/dbraw/zinc/34/83/63/297348363.db2.gz	RMBBTNVIOIOXNH-GOSISDBHSA-N	0	3	324.428	2.790	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(C#N)c1	ZINC000537307205	301297541	/nfs/dbraw/zinc/29/75/41/301297541.db2.gz	MHNCKODDPYUPLN-VBNZEHGJSA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)c(F)c1	ZINC000537408362	301299327	/nfs/dbraw/zinc/29/93/27/301299327.db2.gz	WPLNGWMDOWCMHI-CJNGLKHVSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)c(F)c1	ZINC000538508444	301322454	/nfs/dbraw/zinc/32/24/54/301322454.db2.gz	MCVDACSTLPEJHV-QWHCGFSZSA-N	0	3	302.349	2.792	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CN1C1CC1	ZINC000539783490	301348338	/nfs/dbraw/zinc/34/83/38/301348338.db2.gz	NADMYUOYVPMBPE-MFKMUULPSA-N	0	3	303.793	2.567	20	30		DFEDHN
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)cc1F	ZINC000540976457	301380043	/nfs/dbraw/zinc/38/00/43/301380043.db2.gz	FFZKCRDODKBHIB-JQWIXIFHSA-N	0	3	315.314	2.985	20	30		DFEDHN
CSc1ccc([C@H](CNc2ccncc2C#N)N(C)C)cc1	ZINC000559002120	301864515	/nfs/dbraw/zinc/86/45/15/301864515.db2.gz	LFDQSWXTVQKNOG-KRWDZBQOSA-N	0	3	312.442	2.812	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000559316219	301870112	/nfs/dbraw/zinc/87/01/12/301870112.db2.gz	RDMOMDXOBIXAKQ-UTUOFQBUSA-N	0	3	321.371	2.714	20	30		DFEDHN
CCCCCN(CCCOC)Cc1cnc2c(C#N)cnn2c1	ZINC000564986904	302179623	/nfs/dbraw/zinc/17/96/23/302179623.db2.gz	WGBBFGMEQDLXMH-UHFFFAOYSA-N	0	3	315.421	2.630	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000564986254	302179756	/nfs/dbraw/zinc/17/97/56/302179756.db2.gz	PIQGEHLNPBAIAU-LSDHHAIUSA-N	0	3	315.446	2.755	20	30		DFEDHN
CC[C@@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C[C@@H](C)O	ZINC000567442776	302358612	/nfs/dbraw/zinc/35/86/12/302358612.db2.gz	GNQXXVSZMUDMGN-CHWSQXEVSA-N	0	3	323.387	2.777	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCc3ccccc3[C@@H]2CN)c1	ZINC000567866410	302394657	/nfs/dbraw/zinc/39/46/57/302394657.db2.gz	VYLOMJQHWOKOHO-SFHVURJKSA-N	0	3	320.396	2.957	20	30		DFEDHN
C[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1Cl	ZINC000568047302	302412948	/nfs/dbraw/zinc/41/29/48/302412948.db2.gz	KGUYQAZOQFLFNA-DGCLKSJQSA-N	0	3	317.820	2.873	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000572158552	302646369	/nfs/dbraw/zinc/64/63/69/302646369.db2.gz	YWOXMGNACAGXSE-GOSISDBHSA-N	0	3	320.396	2.957	20	30		DFEDHN
CCC(CC)(CC(=O)OC)NCc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000573688558	302717984	/nfs/dbraw/zinc/71/79/84/302717984.db2.gz	USZOUXKYPQAQSK-UHFFFAOYSA-N	0	3	319.361	2.678	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)s1	ZINC000176970817	315979821	/nfs/dbraw/zinc/97/98/21/315979821.db2.gz	VOYYTKSEDLPVTL-CYBMUJFWSA-N	0	3	311.410	2.794	20	30		DFEDHN
Cc1ccc(C(=O)NCCNCc2cc(C#N)cs2)cc1F	ZINC000177684296	315984818	/nfs/dbraw/zinc/98/48/18/315984818.db2.gz	OSYJVIJEXLMYEU-UHFFFAOYSA-N	0	3	317.389	2.587	20	30		DFEDHN
CN1CCN(CCCSc2ccc(C#N)cc2Cl)CC1	ZINC000181322933	316056722	/nfs/dbraw/zinc/05/67/22/316056722.db2.gz	ANFSNIWABKWGFX-UHFFFAOYSA-N	0	3	309.866	2.941	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000188132640	316217482	/nfs/dbraw/zinc/21/74/82/316217482.db2.gz	IIIIZUFPRVDILB-HNNXBMFYSA-N	0	3	311.429	2.580	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000316985723	316246958	/nfs/dbraw/zinc/24/69/58/316246958.db2.gz	KROSBRFEATWRAD-IJEWVQPXSA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC3CCC2CC3)c1	ZINC000320162765	316252749	/nfs/dbraw/zinc/25/27/49/316252749.db2.gz	QLADDMKOIWBKMN-PUJMQQBBSA-N	0	3	318.442	2.500	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CCN(C2CC2)C1	ZINC000576435816	318125805	/nfs/dbraw/zinc/12/58/05/318125805.db2.gz	KAJAPHZDFFTHQL-GFCCVEGCSA-N	0	3	317.820	2.768	20	30		DFEDHN
CC1(C)CCN(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000576885941	318156956	/nfs/dbraw/zinc/15/69/56/318156956.db2.gz	MNYXYAQYNUEIPU-UHFFFAOYSA-N	0	3	323.440	2.906	20	30		DFEDHN
N#Cc1cccc(OC2CC[NH+](Cc3ncccc3[O-])CC2)c1	ZINC000577442915	318193001	/nfs/dbraw/zinc/19/30/01/318193001.db2.gz	LGYRGSKCSKQFIA-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])c1	ZINC000578073706	318236034	/nfs/dbraw/zinc/23/60/34/318236034.db2.gz	YFEWFDQIBJPGGD-INIZCTEOSA-N	0	3	315.373	2.857	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3C[C@H](c4ccc(F)cc4)C3)cnc12	ZINC000579958476	318366308	/nfs/dbraw/zinc/36/63/08/318366308.db2.gz	GCJCURNIJMXADB-CZIWCDLHSA-N	0	3	321.359	2.776	20	30		DFEDHN
N#Cc1cc(F)c(NCCN2CCCC2)cc1Br	ZINC000385032573	323309234	/nfs/dbraw/zinc/30/92/34/323309234.db2.gz	HJLFNKLGWBUSIG-UHFFFAOYSA-N	0	3	312.186	2.968	20	30		DFEDHN
CC[C@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000388238324	323328940	/nfs/dbraw/zinc/32/89/40/323328940.db2.gz	ZFMXUASSCMMSJC-HOCLYGCPSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CC[C@H](CO)N[C@H](C)c1ccc(OC(F)F)c(OC)c1	ZINC000186717784	331469357	/nfs/dbraw/zinc/46/93/57/331469357.db2.gz	INYFZTVVKMJJJB-ZYHUDNBSSA-N	0	3	301.333	2.884	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccccc2CC)CC1	ZINC000188454859	331628420	/nfs/dbraw/zinc/62/84/20/331628420.db2.gz	AFVNUUMIEJXNRL-UHFFFAOYSA-N	0	3	300.446	2.948	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000558674280	331933746	/nfs/dbraw/zinc/93/37/46/331933746.db2.gz	PETDLWYJLFXMFH-GJZGRUSLSA-N	0	3	303.454	2.652	20	30		DFEDHN
Cc1csc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000566121910	331976801	/nfs/dbraw/zinc/97/68/01/331976801.db2.gz	SMJCUACSZOBGSK-HNNXBMFYSA-N	0	3	316.426	2.652	20	30		DFEDHN
N#CC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCC1	ZINC000424998977	332058025	/nfs/dbraw/zinc/05/80/25/332058025.db2.gz	GATVMIHXEADKBN-ZWKOTPCHSA-N	0	3	323.440	2.803	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CNC[C@H]1CCCO1	ZINC000041635064	332229959	/nfs/dbraw/zinc/22/99/59/332229959.db2.gz	HBRCSLCCKAIQBO-CQSZACIVSA-N	0	3	324.218	2.730	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@@H]2CCCN2CC(C)C)s1	ZINC000152426911	332295762	/nfs/dbraw/zinc/29/57/62/332295762.db2.gz	NIVBTCNJQOVITF-ZDUSSCGKSA-N	0	3	322.478	2.591	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)nn2CC)CC1	ZINC000106036619	335102817	/nfs/dbraw/zinc/10/28/17/335102817.db2.gz	CMZVTATYZWQDOS-UHFFFAOYSA-N	0	3	318.465	2.797	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(C)ccc2F)CC1	ZINC000448920077	332447246	/nfs/dbraw/zinc/44/72/46/332447246.db2.gz	FNLUCBFIZDZXOU-UHFFFAOYSA-N	0	3	304.409	2.833	20	30		DFEDHN
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN(C)C	ZINC000156669814	332479260	/nfs/dbraw/zinc/47/92/60/332479260.db2.gz	MLGRJLPNDOSXHL-UHFFFAOYSA-N	0	3	316.323	2.562	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(=O)OC)c([O-])c1	ZINC000129357268	332514359	/nfs/dbraw/zinc/51/43/59/332514359.db2.gz	CDXWJALHKDFTEG-WOJGMQOQSA-N	0	3	306.406	2.857	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(C)CCC(F)(F)CC2)CC1	ZINC000528449645	332672063	/nfs/dbraw/zinc/67/20/63/332672063.db2.gz	PFTNVZZCETZRAH-UHFFFAOYSA-N	0	3	300.393	2.969	20	30		DFEDHN
C=C(CC)CN[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442790536	335115128	/nfs/dbraw/zinc/11/51/28/335115128.db2.gz	IVSNGVXVUABUME-LSDHHAIUSA-N	0	3	324.465	2.509	20	30		DFEDHN
C#CCNC(=O)CCNC(C)(c1ccccc1)c1ccccc1	ZINC000293872984	335115556	/nfs/dbraw/zinc/11/55/56/335115556.db2.gz	SRZVULXOWOVSAD-UHFFFAOYSA-N	0	3	306.409	2.679	20	30		DFEDHN
C=CCC(F)(F)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000293905250	335115716	/nfs/dbraw/zinc/11/57/16/335115716.db2.gz	LJSWGDLNLXOEMA-CQSZACIVSA-N	0	3	312.360	2.626	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(Oc2ccccc2)nc1	ZINC000293908014	335115857	/nfs/dbraw/zinc/11/58/57/335115857.db2.gz	FTNUABIKISCNCV-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
CC#CCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000185147225	335115929	/nfs/dbraw/zinc/11/59/29/335115929.db2.gz	IAYTXVLVCANZIF-UHFFFAOYSA-N	0	3	302.418	2.896	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@H](CC)c1ccc(OC)cc1	ZINC000293998166	335116611	/nfs/dbraw/zinc/11/66/11/335116611.db2.gz	OOGUQFMNNUMRFF-INIZCTEOSA-N	0	3	316.445	2.650	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)NCCCCC#N)N(C)C)cc1	ZINC000171413819	333048269	/nfs/dbraw/zinc/04/82/69/333048269.db2.gz	UOWDLZCJEIHJCO-QGZVFWFLSA-N	0	3	316.449	2.845	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)CCN1C	ZINC000174714343	333089719	/nfs/dbraw/zinc/08/97/19/333089719.db2.gz	JQDPNYZAMLCZTR-CJNGLKHVSA-N	0	3	300.406	2.699	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC2(CCC2)O1	ZINC000518774730	333114500	/nfs/dbraw/zinc/11/45/00/333114500.db2.gz	CSEKGAXENYPBIZ-RDJZCZTQSA-N	0	3	312.413	2.929	20	30		DFEDHN
Cc1ccccc1[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)C1CC1	ZINC000526057637	333149700	/nfs/dbraw/zinc/14/97/00/333149700.db2.gz	HDXZQTMOJULXLN-WMLDXEAASA-N	0	3	311.429	2.987	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000179911278	333156545	/nfs/dbraw/zinc/15/65/45/333156545.db2.gz	LGZUNCGSZIUVKG-HNNXBMFYSA-N	0	3	311.429	2.846	20	30		DFEDHN
CCc1ccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000180096564	333158378	/nfs/dbraw/zinc/15/83/78/333158378.db2.gz	LGCVYHGJMCAGAG-IBGZPJMESA-N	0	3	313.445	2.882	20	30		DFEDHN
NC(=NOCc1ccccn1)c1ccccc1CN1CCCCC1	ZINC000180624621	333163624	/nfs/dbraw/zinc/16/36/24/333163624.db2.gz	WIBYSGCDBLTWHN-UHFFFAOYSA-N	0	3	324.428	2.905	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](CC(C)C)c1ccccc1OC	ZINC000294561132	335125898	/nfs/dbraw/zinc/12/58/98/335125898.db2.gz	LLWJNNLQDMDFDW-INIZCTEOSA-N	0	3	302.418	2.512	20	30		DFEDHN
Cc1cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)s1	ZINC000180866656	333165640	/nfs/dbraw/zinc/16/56/40/333165640.db2.gz	CZSMVRDHWDGNPR-YOJQOHNYSA-N	0	3	319.430	2.542	20	30		DFEDHN
C=CCOCCN1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000294597226	335126201	/nfs/dbraw/zinc/12/62/01/335126201.db2.gz	NLJNGXXQSGVLHG-UHFFFAOYSA-N	0	3	303.328	2.741	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](Cc1ccccc1)C1CC1	ZINC000181555044	333170166	/nfs/dbraw/zinc/17/01/66/333170166.db2.gz	FIZDNHFOXGWXIR-CRAIPNDOSA-N	0	3	313.445	2.605	20	30		DFEDHN
C[C@H](CC#N)Sc1ccccc1NC(=O)NCCN(C)C	ZINC000181593272	333170435	/nfs/dbraw/zinc/17/04/35/333170435.db2.gz	GFEQAHKAGXRCOV-GFCCVEGCSA-N	0	3	306.435	2.764	20	30		DFEDHN
C[C@H](NCCNC(=O)c1ccccc1)c1ccc(OCC#N)cc1	ZINC000181614940	333170739	/nfs/dbraw/zinc/17/07/39/333170739.db2.gz	KPMRYZAZTGHBSE-HNNXBMFYSA-N	0	3	323.396	2.670	20	30		DFEDHN
C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181763847	333172035	/nfs/dbraw/zinc/17/20/35/333172035.db2.gz	DLTGQWIIIZTSCG-YEJXKQKISA-N	0	3	308.447	2.787	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCCCS(=O)(=O)Cc2ccccc2)C1	ZINC000185782752	333213938	/nfs/dbraw/zinc/21/39/38/333213938.db2.gz	BSZNJZNOCDYIGL-SJORKVTESA-N	0	3	320.458	2.663	20	30		DFEDHN
COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC)c1OC	ZINC000185785807	333214146	/nfs/dbraw/zinc/21/41/46/333214146.db2.gz	WVOGNLJFXIEYKY-OCCSQVGLSA-N	0	3	304.390	2.884	20	30		DFEDHN
C#C[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000185329942	335128219	/nfs/dbraw/zinc/12/82/19/335128219.db2.gz	YIYZIVHLCUOLPU-CJNGLKHVSA-N	0	3	324.346	2.579	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000364063367	333230821	/nfs/dbraw/zinc/23/08/21/333230821.db2.gz	HOIZXZLOKWBBAZ-YLFCFFPRSA-N	0	3	308.466	2.594	20	30		DFEDHN
CCC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000187783724	333237800	/nfs/dbraw/zinc/23/78/00/333237800.db2.gz	DNNPDGMGWMDKNA-JFVSRZABSA-N	0	3	319.430	2.705	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](C)S[C@@H](C)C2)CC1	ZINC000525767051	333249767	/nfs/dbraw/zinc/24/97/67/333249767.db2.gz	KCSXYILDOPDFCF-KBPBESRZSA-N	0	3	311.495	2.562	20	30		DFEDHN
NC(=NOCc1cccnc1)c1ccccc1CN1CCCCC1	ZINC000193594457	333304454	/nfs/dbraw/zinc/30/44/54/333304454.db2.gz	SRSAPFYYEXXCMV-UHFFFAOYSA-N	0	3	324.428	2.905	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)S[C@H](C)C1	ZINC000525785871	333311216	/nfs/dbraw/zinc/31/12/16/333311216.db2.gz	HGIOYFPTNBMOOW-BFYDXBDKSA-N	0	3	321.486	2.981	20	30		DFEDHN
C=CCOCCN(C)C[C@@H](O)c1ccccc1Br	ZINC000295377433	335133789	/nfs/dbraw/zinc/13/37/89/335133789.db2.gz	QGMNNXKYZLFSCG-CQSZACIVSA-N	0	3	314.223	2.617	20	30		DFEDHN
C=C(C)COCCNCc1ccc(Cl)cc1-n1cncn1	ZINC000354468062	333330998	/nfs/dbraw/zinc/33/09/98/333330998.db2.gz	SKWWIMCDSQZLRK-UHFFFAOYSA-N	0	3	306.797	2.603	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NC[C@@H](CO)c2ccccc2)C1	ZINC000364846246	333332360	/nfs/dbraw/zinc/33/23/60/333332360.db2.gz	IFSLUIMZMPDABQ-KKXNLOMOSA-N	0	3	306.409	2.976	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1	ZINC000295248570	335134487	/nfs/dbraw/zinc/13/44/87/335134487.db2.gz	MMVZIFBEFIUTNG-MRXNPFEDSA-N	0	3	314.429	2.503	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CCN(C)C)C(C)C)cc1	ZINC000295520471	335135417	/nfs/dbraw/zinc/13/54/17/335135417.db2.gz	RZIXAGRHPURBLG-UHFFFAOYSA-N	0	3	304.434	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)[C@H](OC)c2ccccc2Cl)C1=O	ZINC000337195606	333442053	/nfs/dbraw/zinc/44/20/53/333442053.db2.gz	WVVHLKTWAOJBDR-KCXAZCMYSA-N	0	3	322.836	2.793	20	30		DFEDHN
C[C@H]1C[C@]1(NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000337432816	333449220	/nfs/dbraw/zinc/44/92/20/333449220.db2.gz	GSPSRELJGGKGFB-SUMWQHHRSA-N	0	3	319.836	2.927	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CC[C@H](N2CCCCC2)C1	ZINC000337874792	333462050	/nfs/dbraw/zinc/46/20/50/333462050.db2.gz	XWYRQSAVFRVACE-INIZCTEOSA-N	0	3	317.481	2.871	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCC2	ZINC000296265768	335142706	/nfs/dbraw/zinc/14/27/06/335142706.db2.gz	OHHHSCRZKCWAMM-HRCADAONSA-N	0	3	306.450	2.513	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)C1	ZINC000339064555	333507868	/nfs/dbraw/zinc/50/78/68/333507868.db2.gz	MFFWLZTXWITHAV-IXDOHACOSA-N	0	3	315.461	2.793	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(OC)c(Br)c1	ZINC000320312292	333513394	/nfs/dbraw/zinc/51/33/94/333513394.db2.gz	VNNFNDHZRYRWCF-GFCCVEGCSA-N	0	3	314.223	2.874	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000339420015	333524184	/nfs/dbraw/zinc/52/41/84/333524184.db2.gz	HHROWQMGKYIQQJ-ZFWWWQNUSA-N	0	3	303.381	2.989	20	30		DFEDHN
C=CC(C)(C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000296837884	335146721	/nfs/dbraw/zinc/14/67/21/335146721.db2.gz	SNVMFMPTNORMHM-QGZVFWFLSA-N	0	3	316.445	2.606	20	30		DFEDHN
CC#CCN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000297116130	335149463	/nfs/dbraw/zinc/14/94/63/335149463.db2.gz	GDCMUVGMFZAPOY-OAHLLOKOSA-N	0	3	301.434	2.781	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CC(C3CCCC3)C2)cc1	ZINC000366504341	333606477	/nfs/dbraw/zinc/60/64/77/333606477.db2.gz	KGGVWIKPYNPEFP-SFHVURJKSA-N	0	3	314.429	2.614	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccc(CC)o1	ZINC000296943654	335150165	/nfs/dbraw/zinc/15/01/65/335150165.db2.gz	PTKHSZFCZOUIQK-INIZCTEOSA-N	0	3	317.433	2.644	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccc(Cl)c1	ZINC000296836969	335146689	/nfs/dbraw/zinc/14/66/89/335146689.db2.gz	JCNZBJSEKYSPSI-CQSZACIVSA-N	0	3	321.852	2.998	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1	ZINC000297008355	335150966	/nfs/dbraw/zinc/15/09/66/335150966.db2.gz	UMXGBPDYPKUKAV-INIZCTEOSA-N	0	3	319.836	2.752	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000185919688	335155065	/nfs/dbraw/zinc/15/50/65/335155065.db2.gz	ANNKAKSZFDRLPJ-HNNXBMFYSA-N	0	3	313.445	2.773	20	30		DFEDHN
C[C@H](NCC1(C#N)CCC1)C1CCN(CC(F)(F)F)CC1	ZINC000450943193	333698552	/nfs/dbraw/zinc/69/85/52/333698552.db2.gz	SEUKSZALAYJZTD-LBPRGKRZSA-N	0	3	303.372	2.933	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1	ZINC000343396857	335161930	/nfs/dbraw/zinc/16/19/30/335161930.db2.gz	IVQMTUBRVSLTQL-IRXDYDNUSA-N	0	3	313.401	2.605	20	30		DFEDHN
Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC(C)(C)CC#N	ZINC000414159379	333914797	/nfs/dbraw/zinc/91/47/97/333914797.db2.gz	BHYLMBSAWSEEBX-CYBMUJFWSA-N	0	3	323.462	2.541	20	30		DFEDHN
C=CCOc1ccccc1CNCCC(C)(C)S(C)(=O)=O	ZINC000414516157	334004312	/nfs/dbraw/zinc/00/43/12/334004312.db2.gz	OMJKWDFZRUCOTD-UHFFFAOYSA-N	0	3	311.447	2.554	20	30		DFEDHN
Cc1ccc([C@H](C)NCC(=O)N(CCC#N)CCC#N)c(C)c1	ZINC000271792046	334026961	/nfs/dbraw/zinc/02/69/61/334026961.db2.gz	QTKQSLRLBMJTDB-INIZCTEOSA-N	0	3	312.417	2.610	20	30		DFEDHN
C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000271887245	334028349	/nfs/dbraw/zinc/02/83/49/334028349.db2.gz	QZFHXFGFQWXULR-ZNZDAUKMSA-N	0	3	308.381	2.898	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCCCC#N)c1ccccc1	ZINC000273091624	334043275	/nfs/dbraw/zinc/04/32/75/334043275.db2.gz	BEVCIBBXBFRNBI-MRXNPFEDSA-N	0	3	302.422	2.672	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1O	ZINC000273428632	334046506	/nfs/dbraw/zinc/04/65/06/334046506.db2.gz	UCUOJPUXWDZHGW-IRXDYDNUSA-N	0	3	302.418	2.818	20	30		DFEDHN
CSC1c2cc(-c3noc(C(C)(C)C#N)n3)ccc2NC1=O	ZINC000273821115	334051655	/nfs/dbraw/zinc/05/16/55/334051655.db2.gz	JCZSWAVLCLYWON-NSHDSACASA-N	0	3	314.370	2.894	20	30		DFEDHN
CC[C@@H](C(=O)Nc1ncccc1OCCCC#N)N(CC)CC	ZINC000274032537	334054357	/nfs/dbraw/zinc/05/43/57/334054357.db2.gz	CWNJWGNJZAKBPY-AWEZNQCLSA-N	0	3	318.421	2.823	20	30		DFEDHN
N#CCSCCCN1CCC(Oc2ncccc2F)CC1	ZINC000278333048	334095083	/nfs/dbraw/zinc/09/50/83/334095083.db2.gz	OPGKJNZCDAIBOH-UHFFFAOYSA-N	0	3	309.410	2.711	20	30		DFEDHN
CN(C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CC[C@H](C#N)C1	ZINC000278502529	334097147	/nfs/dbraw/zinc/09/71/47/334097147.db2.gz	AJUKIHSXCMYDGK-ARFHVFGLSA-N	0	3	319.474	2.745	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)nc1	ZINC000278537983	334097495	/nfs/dbraw/zinc/09/74/95/334097495.db2.gz	FXUDDINLZTZPMU-XHSDSOJGSA-N	0	3	312.417	2.733	20	30		DFEDHN
N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1	ZINC000278766751	334100970	/nfs/dbraw/zinc/10/09/70/334100970.db2.gz	NZBVYDLKQHMNPJ-MRXNPFEDSA-N	0	3	317.820	2.895	20	30		DFEDHN
N#CCCCCN[C@H](CO)c1ccccc1OC(F)(F)F	ZINC000280635265	334118839	/nfs/dbraw/zinc/11/88/39/334118839.db2.gz	XTITZKVDCYSPKR-GFCCVEGCSA-N	0	3	302.296	2.902	20	30		DFEDHN
CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(C)c1	ZINC000285924300	334150734	/nfs/dbraw/zinc/15/07/34/334150734.db2.gz	COKCGMLNMPVALK-BQASMSSTSA-N	0	3	313.401	2.562	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)NCCCCC#N)CCN1Cc1ccccc1	ZINC000287395909	334157671	/nfs/dbraw/zinc/15/76/71/334157671.db2.gz	MHAYWXWMOZKPHG-NVXWUHKLSA-N	0	3	314.433	2.642	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1OCCCC#N	ZINC000289579773	334166659	/nfs/dbraw/zinc/16/66/59/334166659.db2.gz	TWEZWZDXSSWPST-IYBDPMFKSA-N	0	3	318.417	2.987	20	30		DFEDHN
COC[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)OCCc2ccccc21	ZINC000289745290	334167419	/nfs/dbraw/zinc/16/74/19/334167419.db2.gz	KVVXWJDBFHBFLF-SUMDDJOVSA-N	0	3	314.429	2.773	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000289762301	334167628	/nfs/dbraw/zinc/16/76/28/334167628.db2.gz	LRVSPBGEMXIHQJ-QGZVFWFLSA-N	0	3	303.381	2.904	20	30		DFEDHN
C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000290341322	334172480	/nfs/dbraw/zinc/17/24/80/334172480.db2.gz	PLVUEBJYBFIXBJ-IXDGSTSKSA-N	0	3	324.380	2.734	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(CCCC#N)n2)c1	ZINC000291108876	334176666	/nfs/dbraw/zinc/17/66/66/334176666.db2.gz	SLDCOCHMQCMZMP-UHFFFAOYSA-N	0	3	300.362	2.523	20	30		DFEDHN
N#CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000292454058	334188337	/nfs/dbraw/zinc/18/83/37/334188337.db2.gz	XDEDHAROFMOMIC-CQSZACIVSA-N	0	3	305.447	2.770	20	30		DFEDHN
CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C2CC2)N2CCCC2)cc1	ZINC000293320188	334197150	/nfs/dbraw/zinc/19/71/50/334197150.db2.gz	JAYXVDBMFJAOLO-QZTJIDSGSA-N	0	3	311.429	2.804	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)CCCC#N)CC1	ZINC000293504295	334198412	/nfs/dbraw/zinc/19/84/12/334198412.db2.gz	ZEJHTCVHYXZLLV-QGZVFWFLSA-N	0	3	314.433	2.588	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000293668993	334200386	/nfs/dbraw/zinc/20/03/86/334200386.db2.gz	ZGPYZJSPGHZORF-OAHLLOKOSA-N	0	3	302.374	2.525	20	30		DFEDHN
N#CCCOCCN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000294012877	334204453	/nfs/dbraw/zinc/20/44/53/334204453.db2.gz	GUCBTRKOJGMGKO-NSHDSACASA-N	0	3	316.327	2.538	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1	ZINC000294343579	334208446	/nfs/dbraw/zinc/20/84/46/334208446.db2.gz	JUSYUUNBCNAHRH-CQSZACIVSA-N	0	3	305.447	2.677	20	30		DFEDHN
Cc1ncc(CO)c(/C=N/C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[O-]	ZINC000299077646	334252925	/nfs/dbraw/zinc/25/29/25/334252925.db2.gz	QTUVUPVXBZCTDN-ONORYSHOSA-N	0	3	319.449	2.517	20	30		DFEDHN
C#CCCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000120143796	334298149	/nfs/dbraw/zinc/29/81/49/334298149.db2.gz	XGGXKKQXSXOQFT-UHFFFAOYSA-N	0	3	302.418	2.896	20	30		DFEDHN
C=CCCCN(C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1	ZINC000121038954	334341263	/nfs/dbraw/zinc/34/12/63/334341263.db2.gz	CUTQJTRNLUMMLN-QGZVFWFLSA-N	0	3	315.461	2.527	20	30		DFEDHN
COCC1(C#N)CCN(Cc2ccc(-n3ccnc3)cc2)CC1	ZINC000341974219	334498865	/nfs/dbraw/zinc/49/88/65/334498865.db2.gz	HTPJPLOXLAWZCW-UHFFFAOYSA-N	0	3	310.401	2.624	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)NCC#Cc1ccccc1	ZINC000416938819	334686243	/nfs/dbraw/zinc/68/62/43/334686243.db2.gz	BLOVIZICTNSFCC-LJQANCHMSA-N	0	3	321.424	2.600	20	30		DFEDHN
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H](C)CN(C)C	ZINC000330677583	334803680	/nfs/dbraw/zinc/80/36/80/334803680.db2.gz	LEPSUTFZNLKLIP-JTQLQIEISA-N	0	3	310.467	2.885	20	30		DFEDHN
CC[C@@H]1CCc2nc(NC(=O)NC[C@@H](C)N(C)C)sc2C1	ZINC000331280012	334848411	/nfs/dbraw/zinc/84/84/11/334848411.db2.gz	TYQFLIWQGRYJSZ-GHMZBOCLSA-N	0	3	310.467	2.934	20	30		DFEDHN
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000343672877	335182936	/nfs/dbraw/zinc/18/29/36/335182936.db2.gz	QZLMCBBXBDAJIV-NVXWUHKLSA-N	0	3	317.408	2.702	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2ccccc2Cl)C[C@@H]1N(C)C	ZINC000343631896	335183142	/nfs/dbraw/zinc/18/31/42/335183142.db2.gz	BREMBRCYSIAWDF-HOTGVXAUSA-N	0	3	308.878	2.669	20	30		DFEDHN
CC(C)(NCc1ccc(CC#N)cc1)C(=O)NCC1CCCC1	ZINC000343732336	335192642	/nfs/dbraw/zinc/19/26/42/335192642.db2.gz	PZPBLNCHXOLQEX-UHFFFAOYSA-N	0	3	313.445	2.927	20	30		DFEDHN
COC[C@H]1C[C@@H](OC)CN1Cc1cccc(OCCCC#N)c1	ZINC000343871156	335198998	/nfs/dbraw/zinc/19/89/98/335198998.db2.gz	KZLHVPDEMBZURU-SJLPKXTDSA-N	0	3	318.417	2.605	20	30		DFEDHN
COC(=O)C[C@](C)(NCCCCC#N)c1cccc(OC)c1	ZINC000344050562	335213227	/nfs/dbraw/zinc/21/32/27/335213227.db2.gz	HOWSKMXWMXHADI-KRWDZBQOSA-N	0	3	304.390	2.757	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C2CCC(C(F)(F)F)CC2)C1=O	ZINC000344135702	335220679	/nfs/dbraw/zinc/22/06/79/335220679.db2.gz	SSJXIBSPDSSHDD-BPCQOVAHSA-N	0	3	304.356	2.826	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000344522937	335255020	/nfs/dbraw/zinc/25/50/20/335255020.db2.gz	UAZSMIAHSFANTA-NJAFHUGGSA-N	0	3	316.445	2.524	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1	ZINC000113231739	335264360	/nfs/dbraw/zinc/26/43/60/335264360.db2.gz	RHNLRWTZCAYSTL-GOEBONIOSA-N	0	3	300.402	2.560	20	30		DFEDHN
COc1ccc(CN[C@H]2CCSC2)cc1OCCCC#N	ZINC000344757075	335273697	/nfs/dbraw/zinc/27/36/97/335273697.db2.gz	JKZNDJNCKFURJV-AWEZNQCLSA-N	0	3	306.431	2.973	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(C(F)(F)F)CC2)CC1	ZINC000344769049	335276106	/nfs/dbraw/zinc/27/61/06/335276106.db2.gz	HFWKSIYWBPBBJR-UHFFFAOYSA-N	0	3	319.371	2.669	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)n1C)C(C)C	ZINC000344792331	335277719	/nfs/dbraw/zinc/27/77/19/335277719.db2.gz	UDIZBSYMUUMFNS-KRWDZBQOSA-N	0	3	303.450	2.762	20	30		DFEDHN
C[C@@H](CC[S@](C)=O)NCc1cccc(OCCCC#N)c1	ZINC000344818828	335280829	/nfs/dbraw/zinc/28/08/29/335280829.db2.gz	FBAQFYSDUMWISF-QKKBWIMNSA-N	0	3	308.447	2.616	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(CC)C2)cc1	ZINC000345123688	335303429	/nfs/dbraw/zinc/30/34/29/335303429.db2.gz	WBACLDBGDNLQBM-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
CC1CCN(C(=O)C2CCN(CCC(C)(C)C#N)CC2)CC1	ZINC000345737131	335346864	/nfs/dbraw/zinc/34/68/64/335346864.db2.gz	NDPLOZKUOWVZKD-UHFFFAOYSA-N	0	3	305.466	2.897	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000345761567	335352407	/nfs/dbraw/zinc/35/24/07/335352407.db2.gz	LTGYWKNPWUSCGE-JTQLQIEISA-N	0	3	322.290	2.667	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ncccc2OCCC)CC1	ZINC000346008784	335369502	/nfs/dbraw/zinc/36/95/02/335369502.db2.gz	VHIRQBKIIRJSKT-UHFFFAOYSA-N	0	3	317.433	2.641	20	30		DFEDHN
CC(C#N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1	ZINC000346035560	335370021	/nfs/dbraw/zinc/37/00/21/335370021.db2.gz	YTKRWQUJYMOXPL-AWEZNQCLSA-N	0	3	311.360	2.952	20	30		DFEDHN
CC(C#N)C(=O)N(CCc1ccccn1)Cc1ccc(F)cc1	ZINC000346035561	335370075	/nfs/dbraw/zinc/37/00/75/335370075.db2.gz	YTKRWQUJYMOXPL-CQSZACIVSA-N	0	3	311.360	2.952	20	30		DFEDHN
CC(C)C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccs1	ZINC000347192785	335472490	/nfs/dbraw/zinc/47/24/90/335472490.db2.gz	HZZOHCMQFWIDGY-CYBMUJFWSA-N	0	3	305.447	2.987	20	30		DFEDHN
CCN(CC#N)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000347304656	335485708	/nfs/dbraw/zinc/48/57/08/335485708.db2.gz	LCCVXLHPVNIGJK-MRXNPFEDSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=CCOCCCN[C@H](Cc1nc(C)no1)c1ccccc1	ZINC000348164802	335559425	/nfs/dbraw/zinc/55/94/25/335559425.db2.gz	BPMXXSOJYBWQPP-MRXNPFEDSA-N	0	3	301.390	2.844	20	30		DFEDHN
C=CC[C@H](CO)CN[C@@H](COC)c1cccc(Cl)c1F	ZINC000348387079	335587257	/nfs/dbraw/zinc/58/72/57/335587257.db2.gz	YJKVJBHCSSSMJG-FZMZJTMJSA-N	0	3	301.789	2.941	20	30		DFEDHN
CCOc1c(OC)cc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC	ZINC000349788008	335700463	/nfs/dbraw/zinc/70/04/63/335700463.db2.gz	KGMPSUUWQFIOES-TZMCWYRMSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOCc2ccccc2)CC1	ZINC000106034910	335792930	/nfs/dbraw/zinc/79/29/30/335792930.db2.gz	CDYWEQAYWOCMDN-UHFFFAOYSA-N	0	3	316.445	2.750	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2cc3ccccc3o2)CC1	ZINC000108708991	335843850	/nfs/dbraw/zinc/84/38/50/335843850.db2.gz	YAGPCMZFDNIAOT-CQSZACIVSA-N	0	3	310.397	2.955	20	30		DFEDHN
N#CC1(NC(=O)CN2CC[C@@H](N3CCCCC3)C2)CCCCC1	ZINC000329322088	335963976	/nfs/dbraw/zinc/96/39/76/335963976.db2.gz	RQHBASVLCSPCBK-MRXNPFEDSA-N	0	3	318.465	2.730	20	30		DFEDHN
CCN1CCC(NC(=O)Cc2ccc3c(c2)NC(=O)C3)CC1	ZINC000329574952	335996348	/nfs/dbraw/zinc/99/63/48/335996348.db2.gz	RWOKELLBZAZSRO-UHFFFAOYSA-N	0	3	301.390	2.814	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000351071783	336011615	/nfs/dbraw/zinc/01/16/15/336011615.db2.gz	FPUROCLTWOIVDC-CABCVRRESA-N	0	3	305.470	2.582	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000351220010	336023269	/nfs/dbraw/zinc/02/32/69/336023269.db2.gz	CKRXVRZUEOCVCS-NEPJUHHUSA-N	0	3	317.355	2.935	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329640497	336025422	/nfs/dbraw/zinc/02/54/22/336025422.db2.gz	XDSPUJHJTBGKEC-MCIONIFRSA-N	0	3	301.365	2.603	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CCN1C	ZINC000329700809	336059869	/nfs/dbraw/zinc/05/98/69/336059869.db2.gz	HAUWDIFTNIUSKO-SDDRHHMPSA-N	0	3	317.389	2.843	20	30		DFEDHN
C[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C1CC1)N1CCC[C@@H](C)C1	ZINC000329766410	336079203	/nfs/dbraw/zinc/07/92/03/336079203.db2.gz	YDIIDNADIRZJDS-GZOSKZMVSA-N	0	3	323.481	2.568	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1COc2c1ccc(C)c2C	ZINC000329805737	336084184	/nfs/dbraw/zinc/08/41/84/336084184.db2.gz	NGVFNKZIHSRKAU-GDBMZVCRSA-N	0	3	317.433	2.725	20	30		DFEDHN
CC(C)N1CCC(NC(=O)[C@@H]2CCC(=O)c3cccn32)CC1	ZINC000329818431	336085742	/nfs/dbraw/zinc/08/57/42/336085742.db2.gz	FRTBHFRGXGPWOH-HNNXBMFYSA-N	0	3	303.406	2.835	20	30		DFEDHN
Cn1ncc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1C1CC1	ZINC000329896051	336093364	/nfs/dbraw/zinc/09/33/64/336093364.db2.gz	KSXIEDAJLJGZEI-AWEZNQCLSA-N	0	3	302.422	2.619	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(C)C)C1	ZINC000329902393	336093875	/nfs/dbraw/zinc/09/38/75/336093875.db2.gz	HOUYWKBOVUWYBV-JKSUJKDBSA-N	0	3	323.481	2.997	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@H]21	ZINC000329950902	336098864	/nfs/dbraw/zinc/09/88/64/336098864.db2.gz	MOILQZLMWBOFJK-MHEUCROKSA-N	0	3	320.437	2.561	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2	ZINC000329966299	336100767	/nfs/dbraw/zinc/10/07/67/336100767.db2.gz	RRYGAPSQCLTOED-BZUAXINKSA-N	0	3	324.465	2.792	20	30		DFEDHN
CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1	ZINC000330097862	336113180	/nfs/dbraw/zinc/11/31/80/336113180.db2.gz	YQNQQZIWNMCFQG-NVXWUHKLSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](c3nc[nH]n3)C2)[C@@H]1C	ZINC000330115038	336114649	/nfs/dbraw/zinc/11/46/49/336114649.db2.gz	FJKJOIHHOYFNIF-KBXIAJHMSA-N	0	3	319.453	2.765	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000351901871	336115169	/nfs/dbraw/zinc/11/51/69/336115169.db2.gz	HVQXXQBXIBJQRM-IAGOWNOFSA-N	0	3	308.466	2.835	20	30		DFEDHN
C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000330131726	336116351	/nfs/dbraw/zinc/11/63/51/336116351.db2.gz	LBMDRRBWQOLRCX-CHWSQXEVSA-N	0	3	305.426	2.662	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H](c2nc[nH]n2)C1	ZINC000330148043	336118276	/nfs/dbraw/zinc/11/82/76/336118276.db2.gz	UMLIXSQIPZVJBG-MCIONIFRSA-N	0	3	305.426	2.519	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCOC2(CCC2)C1	ZINC000330220438	336126039	/nfs/dbraw/zinc/12/60/39/336126039.db2.gz	QGOFEKAMKAGCLX-HZPDHXFCSA-N	0	3	323.481	2.856	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N[C@@](C)(C#N)C2CC2)CCCC1(C)C	ZINC000331899231	336152112	/nfs/dbraw/zinc/15/21/12/336152112.db2.gz	SAWKNNXBJOIOEY-YJBOKZPZSA-N	0	3	303.450	2.862	20	30		DFEDHN
CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CCC[C@H](C#N)C2)[C@@H]1O	ZINC000333873158	336211573	/nfs/dbraw/zinc/21/15/73/336211573.db2.gz	PTNNYRWBRNHMRH-MDHDOXDCSA-N	0	3	306.431	2.993	20	30		DFEDHN
N#CC1(NC(=O)CN2CC[C@@H](C3CCCC3)C2)CCCCC1	ZINC000333877062	336211589	/nfs/dbraw/zinc/21/15/89/336211589.db2.gz	SZVBYXDHKDYMPR-MRXNPFEDSA-N	0	3	303.450	2.841	20	30		DFEDHN
N#CC1(F)CCN(CCCCCN2CCC(F)(C#N)CC2)CC1	ZINC000352462606	336220544	/nfs/dbraw/zinc/22/05/44/336220544.db2.gz	FAHGRQORDDNHJX-UHFFFAOYSA-N	0	3	324.419	2.812	20	30		DFEDHN
CC(C)(C#N)CCN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000352551003	336224131	/nfs/dbraw/zinc/22/41/31/336224131.db2.gz	SISVMCYNQFDIBC-LBPRGKRZSA-N	0	3	319.371	2.707	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000532321293	336238527	/nfs/dbraw/zinc/23/85/27/336238527.db2.gz	DMZPLXRMUAPZAP-QXCFYTAISA-N	0	3	311.429	2.878	20	30		DFEDHN
CC[C@@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1	ZINC000526303728	336243429	/nfs/dbraw/zinc/24/34/29/336243429.db2.gz	NQMLCLMWNUEJGQ-MRXNPFEDSA-N	0	3	313.445	2.895	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H](c2ccccc2)C[C@H]1C	ZINC000527047458	336280888	/nfs/dbraw/zinc/28/08/88/336280888.db2.gz	KPBKQMHEYAQSHC-INMHGKMJSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=C(CC)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000352885834	336330837	/nfs/dbraw/zinc/33/08/37/336330837.db2.gz	DUZSVYFQLSPYIY-HXUWFJFHSA-N	0	3	313.489	2.845	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)C2CCC(F)(F)CC2)CC1	ZINC000352919531	336377202	/nfs/dbraw/zinc/37/72/02/336377202.db2.gz	ZBWWCJMVSJWRJV-UHFFFAOYSA-N	0	3	315.408	2.856	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCOC[C@@H]2OCC)cc1OC	ZINC000353162964	336405105	/nfs/dbraw/zinc/40/51/05/336405105.db2.gz	BJWXLDBWCYAKKV-QAPCUYQASA-N	0	3	321.417	2.544	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC	ZINC000353552030	336424534	/nfs/dbraw/zinc/42/45/34/336424534.db2.gz	WHBFTIFIOYGNTR-DZJNRPSUSA-N	0	3	316.445	2.618	20	30		DFEDHN
C[C@H](NCCC(=O)N(C)CCC#N)c1cc2cccc(F)c2o1	ZINC000355732962	336520341	/nfs/dbraw/zinc/52/03/41/336520341.db2.gz	RPJDAJOONGKCRL-LBPRGKRZSA-N	0	3	317.364	2.985	20	30		DFEDHN
CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CN2CCC1CC2	ZINC000356002639	336531705	/nfs/dbraw/zinc/53/17/05/336531705.db2.gz	QDRWKMMEKMEFKI-QGZVFWFLSA-N	0	3	311.429	2.654	20	30		DFEDHN
C=C(C)COCCN[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1	ZINC000357459462	336585897	/nfs/dbraw/zinc/58/58/97/336585897.db2.gz	NYURSENKASJAMO-FGTMMUONSA-N	0	3	305.418	2.794	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC(C)(CC)C2)c(OC)c1	ZINC000359511648	336675459	/nfs/dbraw/zinc/67/54/59/336675459.db2.gz	UFHCCUYEBVHKCQ-INIZCTEOSA-N	0	3	319.445	2.895	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NCC1(SC)CCN(C)CC1	ZINC000360691131	336719125	/nfs/dbraw/zinc/71/91/25/336719125.db2.gz	HNCIENPJCABCLR-CQSZACIVSA-N	0	3	311.495	2.564	20	30		DFEDHN
C#CCCN1CCC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1	ZINC000363163829	336819530	/nfs/dbraw/zinc/81/95/30/336819530.db2.gz	CPTPZKYKPCESOQ-HIFRSBDPSA-N	0	3	300.402	2.621	20	30		DFEDHN
C#CCOc1ccc(CNCc2cccc(-c3nc[nH]n3)c2)cc1	ZINC000115620842	336825697	/nfs/dbraw/zinc/82/56/97/336825697.db2.gz	AKEQGKCVCAGHKO-UHFFFAOYSA-N	0	3	318.380	2.774	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1	ZINC000368188778	336840052	/nfs/dbraw/zinc/84/00/52/336840052.db2.gz	DPKXNQOSXPBVPC-INIZCTEOSA-N	0	3	303.450	2.611	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@]23CCOC3)cc(OC)c1O	ZINC000375310060	337007783	/nfs/dbraw/zinc/00/77/83/337007783.db2.gz	PFRUZGXSTAUWAH-GOSISDBHSA-N	0	3	303.402	2.884	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCOCC2)CC1	ZINC000375394329	337010375	/nfs/dbraw/zinc/01/03/75/337010375.db2.gz	UQNYSZNJQHPRMY-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC(C)n1nc2c(cc1=O)CN(CCCCC(C)(C)C#N)CC2	ZINC000375405057	337010487	/nfs/dbraw/zinc/01/04/87/337010487.db2.gz	OFLZGLXDEHAQGD-UHFFFAOYSA-N	0	3	316.449	2.902	20	30		DFEDHN
CCCCCCCS(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C	ZINC000375638256	337015339	/nfs/dbraw/zinc/01/53/39/337015339.db2.gz	YZIXVDXOJCRHDO-XYPWUTKMSA-N	0	3	316.511	2.844	20	30		DFEDHN
CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCC[C@H]1O	ZINC000305740717	337035447	/nfs/dbraw/zinc/03/54/47/337035447.db2.gz	DITXTYFTQARVSM-SJLPKXTDSA-N	0	3	302.418	2.962	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000376679022	337039581	/nfs/dbraw/zinc/03/95/81/337039581.db2.gz	JWOCTSLLKMOPCG-DOTOQJQBSA-N	0	3	314.454	2.520	20	30		DFEDHN
C#CCOc1ccccc1CN(C)C[C@H]1CCc2nccn2C1	ZINC000376966348	337044416	/nfs/dbraw/zinc/04/44/16/337044416.db2.gz	FWSWNBHCPRGOFX-MRXNPFEDSA-N	0	3	309.413	2.590	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000377000157	337045021	/nfs/dbraw/zinc/04/50/21/337045021.db2.gz	CHVZHQCVFTTYGD-INIZCTEOSA-N	0	3	320.481	2.976	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000377276443	337049938	/nfs/dbraw/zinc/04/99/38/337049938.db2.gz	NYSARURVVYGHQV-NRFANRHFSA-N	0	3	322.452	2.820	20	30		DFEDHN
C=CCCCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377541396	337054615	/nfs/dbraw/zinc/05/46/15/337054615.db2.gz	FIVMQYPCCOLPQG-MRXNPFEDSA-N	0	3	323.481	2.580	20	30		DFEDHN
C=CCN(Cc1c(C)cnn1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377547877	337054997	/nfs/dbraw/zinc/05/49/97/337054997.db2.gz	DRYFJTCVSQHJSH-IBGZPJMESA-N	0	3	324.472	2.991	20	30		DFEDHN
C=CCN(C(=O)CSC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377571012	337055389	/nfs/dbraw/zinc/05/53/89/337055389.db2.gz	BTLVVAVKQWLFBY-INIZCTEOSA-N	0	3	304.459	2.639	20	30		DFEDHN
C#Cc1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1	ZINC000377693931	337058763	/nfs/dbraw/zinc/05/87/63/337058763.db2.gz	DJZRAJFLKZSFHA-UHFFFAOYSA-N	0	3	319.408	2.914	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000377693925	337058825	/nfs/dbraw/zinc/05/88/25/337058825.db2.gz	DJCYYRCNQWZYEG-GOSISDBHSA-N	0	3	319.408	2.914	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCC#N	ZINC000377700149	337058995	/nfs/dbraw/zinc/05/89/95/337058995.db2.gz	JSADDJNKJAPBHI-IAGOWNOFSA-N	0	3	314.433	2.597	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2cccs2)C[C@H]1C	ZINC000377805099	337061731	/nfs/dbraw/zinc/06/17/31/337061731.db2.gz	PQDLNMUWVVWKBR-MGPQQGTHSA-N	0	3	305.447	2.686	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000377884657	337063384	/nfs/dbraw/zinc/06/33/84/337063384.db2.gz	RFIFHRBBOIOZQX-IAGOWNOFSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H]2c2ccccc2F)CC1	ZINC000378051697	337065651	/nfs/dbraw/zinc/06/56/51/337065651.db2.gz	PEFSSFLVOPWQCM-KRWDZBQOSA-N	0	3	317.408	2.933	20	30		DFEDHN
CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(OCC#N)cc1	ZINC000194174045	337082492	/nfs/dbraw/zinc/08/24/92/337082492.db2.gz	SIFJBGFNOZZGQN-KGLIPLIRSA-N	0	3	303.406	2.544	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N3CCCC3)C2)c1C	ZINC000170745074	337082874	/nfs/dbraw/zinc/08/28/74/337082874.db2.gz	HWFFXXIGJGMCRY-QGZVFWFLSA-N	0	3	315.461	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(Cl)s2)CC1	ZINC000171715136	337088796	/nfs/dbraw/zinc/08/87/96/337088796.db2.gz	HILDBFYNFYDKBS-UHFFFAOYSA-N	0	3	313.854	2.851	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccccc2N(C)C)CC1	ZINC000171741562	337089025	/nfs/dbraw/zinc/08/90/25/337089025.db2.gz	FMWUHSAZNKVHKC-UHFFFAOYSA-N	0	3	302.422	2.525	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1	ZINC000172067858	337089622	/nfs/dbraw/zinc/08/96/22/337089622.db2.gz	XDCKNHCAZZERFJ-VMDGZTHMSA-N	0	3	308.381	2.725	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC1	ZINC000582472856	337095498	/nfs/dbraw/zinc/09/54/98/337095498.db2.gz	NDMZNPURZZSMNC-ZWKOTPCHSA-N	0	3	314.429	2.652	20	30		DFEDHN
C=CCCCCCN(C)[C@@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000173495351	337135102	/nfs/dbraw/zinc/13/51/02/337135102.db2.gz	FLLKGJYFPLIAJU-OAHLLOKOSA-N	0	3	304.438	2.594	20	30		DFEDHN
C=C(Cl)CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000175797454	337149262	/nfs/dbraw/zinc/14/92/62/337149262.db2.gz	RVAIPUJPGKYABC-GASCZTMLSA-N	0	3	300.874	2.950	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(N)=O)CN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177278270	337156614	/nfs/dbraw/zinc/15/66/14/337156614.db2.gz	LJPQUNGVKUTZLC-TZMCWYRMSA-N	0	3	324.346	2.643	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1cccnc1	ZINC000181633230	337183618	/nfs/dbraw/zinc/18/36/18/337183618.db2.gz	LZANRLLEWQTWLM-QAPCUYQASA-N	0	3	312.413	2.901	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(OC)c(OC)cc1SC	ZINC000321060992	337190872	/nfs/dbraw/zinc/19/08/72/337190872.db2.gz	YIASWDKOLQWSQJ-CYBMUJFWSA-N	0	3	311.447	2.842	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2COc3cc(C)c(C)cc32)CC1	ZINC000184429995	337197126	/nfs/dbraw/zinc/19/71/26/337197126.db2.gz	HLJOLTXTRQOGAN-KRWDZBQOSA-N	0	3	314.429	2.546	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1	ZINC000184288223	337197629	/nfs/dbraw/zinc/19/76/29/337197629.db2.gz	LSGBFNUPRIIKAE-LLVKDONJSA-N	0	3	307.287	2.793	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1ccc(O)cc1	ZINC000582840677	337207756	/nfs/dbraw/zinc/20/77/56/337207756.db2.gz	GPDANRYWJQVSOQ-SFHVURJKSA-N	0	3	313.397	2.650	20	30		DFEDHN
COC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC	ZINC000185870840	337252270	/nfs/dbraw/zinc/25/22/70/337252270.db2.gz	DIFKBHHMYQCTNI-TZMCWYRMSA-N	0	3	302.374	2.654	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCN(C2CCCCC2)CC1	ZINC000189450541	337279961	/nfs/dbraw/zinc/27/99/61/337279961.db2.gz	FJPQOZHHHVXWRF-GOSISDBHSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1ccccn1	ZINC000191200081	337294693	/nfs/dbraw/zinc/29/46/93/337294693.db2.gz	MALOEHCIPNFGKZ-CYBMUJFWSA-N	0	3	315.446	2.570	20	30		DFEDHN
COc1ccc(CN[C@H]2CO[C@H](C)C2)cc1OCCCC#N	ZINC000584590271	337368683	/nfs/dbraw/zinc/36/86/83/337368683.db2.gz	SYVRKFTYZFAUPP-UKRRQHHQSA-N	0	3	304.390	2.645	20	30		DFEDHN
CC[C@H](CC(F)(F)F)NC[C@H](O)COc1ccc(C#N)cc1	ZINC000584586742	337369686	/nfs/dbraw/zinc/36/96/86/337369686.db2.gz	VRBZHEDBAOORIW-OLZOCXBDSA-N	0	3	316.323	2.619	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000418495130	337385620	/nfs/dbraw/zinc/38/56/20/337385620.db2.gz	AOPRRFXGEOAYPY-DYVFJYSZSA-N	0	3	310.401	2.641	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)NCC1(C#N)CCC1	ZINC000419620174	337489254	/nfs/dbraw/zinc/48/92/54/337489254.db2.gz	CFHLYOUDAUDPBP-UHFFFAOYSA-N	0	3	320.462	2.515	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(CCC)c2C2CC2)CC1	ZINC000270856852	337642622	/nfs/dbraw/zinc/64/26/22/337642622.db2.gz	PXKHMMSPGAAJDC-UHFFFAOYSA-N	0	3	316.449	2.551	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2SCCc3ccccc32)CC1	ZINC000080079660	337651005	/nfs/dbraw/zinc/65/10/05/337651005.db2.gz	LFCLONJFNZXJLP-KRWDZBQOSA-N	0	3	316.470	2.784	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@@H]1NCCCC1(C)C	ZINC000423195591	337703383	/nfs/dbraw/zinc/70/33/83/337703383.db2.gz	ZNXSCHWCXBFOOL-INIZCTEOSA-N	0	3	302.418	2.646	20	30		DFEDHN
C=CCN(C(=O)[C@@H](N)CCCC#N)c1nc2c(s1)CCCC2	ZINC000424076454	337731237	/nfs/dbraw/zinc/73/12/37/337731237.db2.gz	LWOHDXXGRUKMLO-LBPRGKRZSA-N	0	3	318.446	2.562	20	30		DFEDHN
CC(C)CCOc1ccccc1CNC(=O)[C@@H](N)CCCC#N	ZINC000424116127	337741570	/nfs/dbraw/zinc/74/15/70/337741570.db2.gz	WWHHWCUHCGAGJR-INIZCTEOSA-N	0	3	317.433	2.749	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000424120272	337744214	/nfs/dbraw/zinc/74/42/14/337744214.db2.gz	DRSLMZSMKMOGOB-DZGCQCFKSA-N	0	3	305.809	2.677	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(F)cc2O1	ZINC000424133420	337752139	/nfs/dbraw/zinc/75/21/39/337752139.db2.gz	ZIVCXPDGMBQMEP-UONOGXRCSA-N	0	3	319.380	2.565	20	30		DFEDHN
CCCCN1CCc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21	ZINC000424157437	337784379	/nfs/dbraw/zinc/78/43/79/337784379.db2.gz	RADNVIWLWSTTOV-INIZCTEOSA-N	0	3	314.433	2.809	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	ZINC000424164888	337788676	/nfs/dbraw/zinc/78/86/76/337788676.db2.gz	AJZJXDSDVKWDNN-ZJPYXAASSA-N	0	3	311.429	2.802	20	30		DFEDHN
CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](N)CCCC#N)CCC2	ZINC000424176753	337798213	/nfs/dbraw/zinc/79/82/13/337798213.db2.gz	SPCFYOLPDPUMMB-DGCLKSJQSA-N	0	3	320.462	2.562	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCC)CCN1CCCCC1	ZINC000424534985	337853508	/nfs/dbraw/zinc/85/35/08/337853508.db2.gz	SYRBPPOQBLGJGA-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
CC[C@]1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000428425440	338050897	/nfs/dbraw/zinc/05/08/97/338050897.db2.gz	CTUBYOORSQUINE-IBGZPJMESA-N	0	3	324.428	2.811	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000428541579	338055765	/nfs/dbraw/zinc/05/57/65/338055765.db2.gz	FELRSHCOWYBDBB-PBHICJAKSA-N	0	3	302.418	2.794	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000429716111	338088332	/nfs/dbraw/zinc/08/83/32/338088332.db2.gz	JVNSGOABBZRLPP-BRWVUGGUSA-N	0	3	309.498	2.510	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)NC1CCC(C)CC1	ZINC000429725184	338088396	/nfs/dbraw/zinc/08/83/96/338088396.db2.gz	YIAMYJUGWOCKTQ-AQFXKWCLSA-N	0	3	309.498	2.510	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000429782334	338089754	/nfs/dbraw/zinc/08/97/54/338089754.db2.gz	FTGBAAFCQUTJME-HUUCEWRRSA-N	0	3	324.346	2.561	20	30		DFEDHN
COc1cc(NC(C)=O)ccc1[C@H](C)NCC1(CC#N)CC1	ZINC000430739453	338112956	/nfs/dbraw/zinc/11/29/56/338112956.db2.gz	DQYMUCRWJBPAHP-LBPRGKRZSA-N	0	3	301.390	2.998	20	30		DFEDHN
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(CC#N)CC1	ZINC000430757580	338114041	/nfs/dbraw/zinc/11/40/41/338114041.db2.gz	WPCLOJMYJABJQD-LBPRGKRZSA-N	0	3	316.361	2.595	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](CCCC#N)c1ccccc1	ZINC000433014453	338176333	/nfs/dbraw/zinc/17/63/33/338176333.db2.gz	FBXVSRYVDXTYEC-QGZVFWFLSA-N	0	3	312.417	2.773	20	30		DFEDHN
CCc1ccc([C@H]2CCN(CC(=O)N(CC)CCC#N)C2)cc1	ZINC000433086304	338181016	/nfs/dbraw/zinc/18/10/16/338181016.db2.gz	ZYCRMWAJAVMIBI-SFHVURJKSA-N	0	3	313.445	2.800	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1COc2ccccc2C1	ZINC000433225669	338186590	/nfs/dbraw/zinc/18/65/90/338186590.db2.gz	JCHAMSJUJFPXMA-ZWKOTPCHSA-N	0	3	320.392	2.879	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(CCO)Cc1ccccc1	ZINC000433234829	338187125	/nfs/dbraw/zinc/18/71/25/338187125.db2.gz	TVFQZFSHRAZYQA-IBGZPJMESA-N	0	3	322.408	2.780	20	30		DFEDHN
CN(C[C@H]1CCCCO1)C(=O)C(C#N)CCc1ccccc1	ZINC000433312285	338191593	/nfs/dbraw/zinc/19/15/93/338191593.db2.gz	LGFAQUVRMZYVDX-IAGOWNOFSA-N	0	3	300.402	2.786	20	30		DFEDHN
CN(C[C@@H]1CCCCO1)C(=O)C(C#N)CCc1ccccc1	ZINC000433312287	338191618	/nfs/dbraw/zinc/19/16/18/338191618.db2.gz	LGFAQUVRMZYVDX-SJORKVTESA-N	0	3	300.402	2.786	20	30		DFEDHN
Cn1cc([C@@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433341956	338193424	/nfs/dbraw/zinc/19/34/24/338193424.db2.gz	HSDUEFVXHIOCRM-WMZOPIPTSA-N	0	3	322.412	2.856	20	30		DFEDHN
CC(C)(C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433387001	338194373	/nfs/dbraw/zinc/19/43/73/338194373.db2.gz	PQNNFMBBLVWJCX-JKSUJKDBSA-N	0	3	302.418	2.672	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCCCC1	ZINC000435924962	338252990	/nfs/dbraw/zinc/25/29/90/338252990.db2.gz	CQBRAEUGHSLCIX-KRWDZBQOSA-N	0	3	314.429	2.960	20	30		DFEDHN
CC(C#N)C(=O)N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1	ZINC000435979422	338254999	/nfs/dbraw/zinc/25/49/99/338254999.db2.gz	DHXYAOOAKMYXBH-LBPRGKRZSA-N	0	3	316.792	2.762	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C	ZINC000437730898	338319725	/nfs/dbraw/zinc/31/97/25/338319725.db2.gz	SVQCQXNUTKFECO-TWMKSMIVSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1	ZINC000438228860	338337335	/nfs/dbraw/zinc/33/73/35/338337335.db2.gz	UFQXHRSPJICTGQ-VIFPVBQESA-N	0	3	315.295	2.534	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)N[C@H]2CC[C@H](C#N)C2)cc1	ZINC000442634430	338426356	/nfs/dbraw/zinc/42/63/56/338426356.db2.gz	GXIFXQKKBNELQV-WDSOQIARSA-N	0	3	313.445	2.650	20	30		DFEDHN
CS(=O)(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl	ZINC000442868528	338436370	/nfs/dbraw/zinc/43/63/70/338436370.db2.gz	CLRNCYNVVAAGOR-ZYHUDNBSSA-N	0	3	312.822	2.525	20	30		DFEDHN
CS(=O)(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Cl	ZINC000442868523	338436412	/nfs/dbraw/zinc/43/64/12/338436412.db2.gz	CLRNCYNVVAAGOR-JQWIXIFHSA-N	0	3	312.822	2.525	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC(F)(F)F)C(C)C)CC1	ZINC000446593627	338531208	/nfs/dbraw/zinc/53/12/08/338531208.db2.gz	OYIUDCSHBVGPSV-ZDUSSCGKSA-N	0	3	321.387	2.913	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CC12CCCC2	ZINC000448932604	338580220	/nfs/dbraw/zinc/58/02/20/338580220.db2.gz	KGTOJISDQVNCDM-QAPCUYQASA-N	0	3	301.434	2.547	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000451604935	338740241	/nfs/dbraw/zinc/74/02/41/338740241.db2.gz	IZYKNMIFPQIUAC-BHTHQVBYSA-N	0	3	322.836	2.839	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OCC)c1	ZINC000451682728	338741884	/nfs/dbraw/zinc/74/18/84/338741884.db2.gz	PWDVDUYXKXJFKO-HIFRSBDPSA-N	0	3	306.362	2.817	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000451690261	338742071	/nfs/dbraw/zinc/74/20/71/338742071.db2.gz	NTXPDEGXEKILTN-RKVPGOIHSA-N	0	3	301.434	2.546	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000453349910	338829327	/nfs/dbraw/zinc/82/93/27/338829327.db2.gz	JNSXUKINUDDLGT-STQMWFEESA-N	0	3	320.824	2.898	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1	ZINC000454250493	338859016	/nfs/dbraw/zinc/85/90/16/338859016.db2.gz	RMRMAKGQOWVQHW-YOEHRIQHSA-N	0	3	314.433	2.630	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@]3(CCSC3)C2)CC1	ZINC000454539053	338866150	/nfs/dbraw/zinc/86/61/50/338866150.db2.gz	IRLHBDDNOBCZOH-KRWDZBQOSA-N	0	3	323.506	2.566	20	30		DFEDHN
N#C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccc(F)cc1	ZINC000457418663	338962762	/nfs/dbraw/zinc/96/27/62/338962762.db2.gz	QNCKQRLEJGFZOL-KRWDZBQOSA-N	0	3	315.392	2.771	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N1CCC(C)CC1	ZINC000457497804	338966495	/nfs/dbraw/zinc/96/64/95/338966495.db2.gz	HMSGYGIVCLUIIE-BRWVUGGUSA-N	0	3	308.466	2.594	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000457993201	338985173	/nfs/dbraw/zinc/98/51/73/338985173.db2.gz	VBYWDXKKWREGSZ-UHFFFAOYSA-N	0	3	313.445	2.955	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)NCC(C)(C)CC#N)N(C)C)cc1	ZINC000458040249	338986791	/nfs/dbraw/zinc/98/67/91/338986791.db2.gz	BDYQACDMLVTAIV-MRXNPFEDSA-N	0	3	316.449	2.837	20	30		DFEDHN
CN1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1	ZINC000458798155	339005634	/nfs/dbraw/zinc/00/56/34/339005634.db2.gz	HHPNIQOGONNZLM-QGZVFWFLSA-N	0	3	314.433	2.769	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000458987563	339010303	/nfs/dbraw/zinc/01/03/03/339010303.db2.gz	MIXPYNJXIYGNEL-OAHLLOKOSA-N	0	3	307.413	2.940	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccc(C)o1	ZINC000458988333	339010308	/nfs/dbraw/zinc/01/03/08/339010308.db2.gz	NOERBTYWAWDATD-UHFFFAOYSA-N	0	3	307.438	2.873	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN2CC(C)(C#N)C2)CC1	ZINC000459585002	339037384	/nfs/dbraw/zinc/03/73/84/339037384.db2.gz	CILORIUFEAFCDA-UHFFFAOYSA-N	0	3	312.461	2.564	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCO[C@H]1CC	ZINC000459767368	339047371	/nfs/dbraw/zinc/04/73/71/339047371.db2.gz	FIWPGRXWPPFKAE-BMFZPTHFSA-N	0	3	322.474	2.808	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1	ZINC000462640326	339083151	/nfs/dbraw/zinc/08/31/51/339083151.db2.gz	JCAGTGVIMSLHDG-IRUJWGPZSA-N	0	3	307.191	2.971	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)C(C)C	ZINC000465551434	339179422	/nfs/dbraw/zinc/17/94/22/339179422.db2.gz	WOGMYJRMQYKZQB-IXDOHACOSA-N	0	3	319.493	2.982	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccsc1	ZINC000479376876	339532405	/nfs/dbraw/zinc/53/24/05/339532405.db2.gz	FRRBRJGQCNKPGJ-CQSZACIVSA-N	0	3	322.478	2.980	20	30		DFEDHN
CC#CCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000483425526	339665154	/nfs/dbraw/zinc/66/51/54/339665154.db2.gz	IMQRBZVGJGRGBF-UHFFFAOYSA-N	0	3	313.445	2.706	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H]2CCc3c2cccc3Cl)CC1	ZINC000491103886	339849073	/nfs/dbraw/zinc/84/90/73/339849073.db2.gz	QXPFWNOKKXKIDD-QGZVFWFLSA-N	0	3	316.832	2.789	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)C)cc2O)CC1	ZINC000491463770	339863194	/nfs/dbraw/zinc/86/31/94/339863194.db2.gz	OQANEAZBCQJLOC-UHFFFAOYSA-N	0	3	314.429	2.973	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1	ZINC000491727728	339876499	/nfs/dbraw/zinc/87/64/99/339876499.db2.gz	BZPBFJYTRBYAJZ-LJQANCHMSA-N	0	3	323.440	2.883	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000491736605	339877179	/nfs/dbraw/zinc/87/71/79/339877179.db2.gz	GNHAVPSXGZTNNB-CQSZACIVSA-N	0	3	319.474	2.623	20	30		DFEDHN
C#C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccc(F)cc1	ZINC000491782721	339881296	/nfs/dbraw/zinc/88/12/96/339881296.db2.gz	PKLNEKGUQYMZSV-YXJHDRRASA-N	0	3	313.376	2.601	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000491783948	339881370	/nfs/dbraw/zinc/88/13/70/339881370.db2.gz	KGRIYQOVLMHMMD-GXTWGEPZSA-N	0	3	311.212	2.578	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccc(Cl)cc2)CC1	ZINC000491902440	339886421	/nfs/dbraw/zinc/88/64/21/339886421.db2.gz	CIZCMINPMVGBDY-TWGQIWQCSA-N	0	3	316.832	2.957	20	30		DFEDHN
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CC1	ZINC000495978959	339995984	/nfs/dbraw/zinc/99/59/84/339995984.db2.gz	DXYBWACEJKCFKU-UONOGXRCSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCCCCCN(C)CN1C[C@]2(CN3CCC2CC3)OC1=O	ZINC000496950268	340016812	/nfs/dbraw/zinc/01/68/12/340016812.db2.gz	PMIVPNAHVQSRCL-SFHVURJKSA-N	0	3	321.465	2.539	20	30		DFEDHN
C[C@@H](C#N)OCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000497108917	340020524	/nfs/dbraw/zinc/02/05/24/340020524.db2.gz	SQOXIZCRAVCDBX-KBPBESRZSA-N	0	3	317.389	2.565	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000497112052	340020611	/nfs/dbraw/zinc/02/06/11/340020611.db2.gz	YNHWXVHNJGFSSQ-QLFBSQMISA-N	0	3	307.438	2.867	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1	ZINC000504192263	340142752	/nfs/dbraw/zinc/14/27/52/340142752.db2.gz	VGHODWZLLVASLL-KBPBESRZSA-N	0	3	301.390	2.802	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)cc1	ZINC000504590167	340149905	/nfs/dbraw/zinc/14/99/05/340149905.db2.gz	PPIGASCNDIKIPU-RDTXWAMCSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C(F)F)CC1	ZINC000507175613	340211312	/nfs/dbraw/zinc/21/13/12/340211312.db2.gz	FGIKCGZCWAKIRL-CQSZACIVSA-N	0	3	315.408	2.856	20	30		DFEDHN
C#CCN(C[C@H](O)COc1cccc2[nH]ccc21)C1CCCC1	ZINC000305056178	340374819	/nfs/dbraw/zinc/37/48/19/340374819.db2.gz	FDWAZJNMZFUUNW-INIZCTEOSA-N	0	3	312.413	2.785	20	30		DFEDHN
CC#CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000543669510	341053369	/nfs/dbraw/zinc/05/33/69/341053369.db2.gz	KZVHVULAZSPSQW-QGZVFWFLSA-N	0	3	312.457	2.859	20	30		DFEDHN
C=CCNC(=O)CN1CCN(C[C@@H](C)CC2CCCCC2)CC1	ZINC000544611636	341089066	/nfs/dbraw/zinc/08/90/66/341089066.db2.gz	OONKYIRFQPZBHZ-KRWDZBQOSA-N	0	3	321.509	2.513	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)C2(C#N)CCCC2)CN1Cc1ccccc1	ZINC000134891974	341226051	/nfs/dbraw/zinc/22/60/51/341226051.db2.gz	QJJDLFVSTBGQRG-RDJZCZTQSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000135170244	341232784	/nfs/dbraw/zinc/23/27/84/341232784.db2.gz	XPANDVQCNLFZQI-QAPCUYQASA-N	0	3	320.433	2.529	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1nccs1)C(C)C	ZINC000079067013	341252992	/nfs/dbraw/zinc/25/29/92/341252992.db2.gz	HPPRCXUCCSOKPV-ZDUSSCGKSA-N	0	3	308.451	2.963	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@H](c1cccs1)N1CCCC1	ZINC000551357447	341339390	/nfs/dbraw/zinc/33/93/90/341339390.db2.gz	DTTWBKDSAZIGTB-HUUCEWRRSA-N	0	3	302.447	2.918	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2	ZINC000552145919	341373302	/nfs/dbraw/zinc/37/33/02/341373302.db2.gz	NRBQNQIIXOHOBF-LSDHHAIUSA-N	0	3	300.402	2.560	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000248916275	341390071	/nfs/dbraw/zinc/39/00/71/341390071.db2.gz	WCQYLRSPSGCHJH-SJLPKXTDSA-N	0	3	313.445	2.891	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@@H](C)CC1	ZINC000249109059	341394035	/nfs/dbraw/zinc/39/40/35/341394035.db2.gz	VSEPBFAWXCMENL-DOTOQJQBSA-N	0	3	321.486	2.982	20	30		DFEDHN
N#CCCC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1	ZINC000564971215	341514172	/nfs/dbraw/zinc/51/41/72/341514172.db2.gz	KXVGQUUYQMBAQT-UHFFFAOYSA-N	0	3	312.417	2.880	20	30		DFEDHN
COc1cccc(N2CC[C@@H](CNC[C@@H](C#N)CCC#N)C2)c1	ZINC000565358296	341525066	/nfs/dbraw/zinc/52/50/66/341525066.db2.gz	QYWVWWRQLHFXPO-CVEARBPZSA-N	0	3	312.417	2.555	20	30		DFEDHN
CC(C)[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Cl	ZINC000567377876	341599913	/nfs/dbraw/zinc/59/99/13/341599913.db2.gz	GUVMNQGFUVOXHU-WMLDXEAASA-N	0	3	323.868	2.833	20	30		DFEDHN
Cc1ccc(C[C@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc1	ZINC000573198077	341720674	/nfs/dbraw/zinc/72/06/74/341720674.db2.gz	XYQRBMQJGDVLQO-QZTJIDSGSA-N	0	3	313.445	2.797	20	30		DFEDHN
N#CCCC1CCN(C[C@H](O)COc2ccccc2F)CC1	ZINC000576461593	341847530	/nfs/dbraw/zinc/84/75/30/341847530.db2.gz	BHKQAKUPBPZHCD-HNNXBMFYSA-N	0	3	306.381	2.581	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000580696034	341912263	/nfs/dbraw/zinc/91/22/63/341912263.db2.gz	UGENJOGZJOYFFJ-QAPCUYQASA-N	0	3	303.450	2.699	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302215968	533829767	/nfs/dbraw/zinc/82/97/67/533829767.db2.gz	OXFDYBYYNKZCRA-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@@H](CO)c3ccccc3)CC2)cc1	ZINC000286358648	518196622	/nfs/dbraw/zinc/19/66/22/518196622.db2.gz	ZCFSLQPNNITDRF-FQEVSTJZSA-N	0	3	321.424	2.850	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc(Br)cc1C#N	ZINC000297346985	534453062	/nfs/dbraw/zinc/45/30/62/534453062.db2.gz	BEEVCRFOJUDAPE-NOZJJQNGSA-N	0	3	321.222	2.610	20	30		DFEDHN
CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163148346	523221514	/nfs/dbraw/zinc/22/15/14/523221514.db2.gz	IQCWDUQHJOAKTF-NVXWUHKLSA-N	0	3	320.458	2.890	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1Cn1ccnc1C	ZINC000154585056	523524443	/nfs/dbraw/zinc/52/44/43/523524443.db2.gz	MYQGXQQOLFYTHM-QGZVFWFLSA-N	0	3	310.401	2.736	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@]2(CO)CCc3ccccc32)c1	ZINC000305742970	534811231	/nfs/dbraw/zinc/81/12/31/534811231.db2.gz	SYAFHQGTBSIYPR-FQEVSTJZSA-N	0	3	322.408	2.751	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000364777685	526073402	/nfs/dbraw/zinc/07/34/02/526073402.db2.gz	KEXNDFVOOBTREM-ZMYBRWDISA-N	0	3	324.428	2.941	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1O	ZINC000330706074	526672215	/nfs/dbraw/zinc/67/22/15/526672215.db2.gz	LLKMQXADADVATO-SJORKVTESA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(C)(CC(N)=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000299433770	526982675	/nfs/dbraw/zinc/98/26/75/526982675.db2.gz	VIIFWTJQTPTNRY-UHFFFAOYSA-N	0	3	307.397	2.969	20	30		DFEDHN
CC(C)C(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000330789477	527466784	/nfs/dbraw/zinc/46/67/84/527466784.db2.gz	RXTRHSHWHDGWOW-ZDUSSCGKSA-N	0	3	317.408	2.995	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3ccc(C#N)nn3)CC2)CC1	ZINC000301970103	527641673	/nfs/dbraw/zinc/64/16/73/527641673.db2.gz	QZJTVSITIBIBKO-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
CC(C)OCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299656168	527953704	/nfs/dbraw/zinc/95/37/04/527953704.db2.gz	QJZZVXCNRJQYIS-UHFFFAOYSA-N	0	3	315.417	2.634	20	30		DFEDHN
CC1CCC(N2CCN(c3nc4ccccn4c3C#N)CC2)CC1	ZINC000302108525	528195071	/nfs/dbraw/zinc/19/50/71/528195071.db2.gz	SSRGNLCWIMUEAL-UHFFFAOYSA-N	0	3	323.444	2.907	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)nc3)n2)cc1	ZINC000355600807	535992847	/nfs/dbraw/zinc/99/28/47/535992847.db2.gz	XNORMIPYMOLWKL-UHFFFAOYSA-N	0	3	305.341	2.732	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1ccc(Cl)cc1	ZINC000681456163	545643249	/nfs/dbraw/zinc/64/32/49/545643249.db2.gz	TUQQUKFJRKHAJM-AEFFLSMTSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000681689941	545699763	/nfs/dbraw/zinc/69/97/63/545699763.db2.gz	SRFDNXCBKRWDPY-LJQANCHMSA-N	0	3	316.445	2.750	20	30		DFEDHN
CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCC#Cc1ccccc1	ZINC000683023574	545961027	/nfs/dbraw/zinc/96/10/27/545961027.db2.gz	GJWSQWWUVSODLG-PKOBYXMFSA-N	0	3	310.441	2.665	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1	ZINC000684205869	546172989	/nfs/dbraw/zinc/17/29/89/546172989.db2.gz	URHKCXFPLAKQPG-OFQRWUPVSA-N	0	3	312.454	2.529	20	30		DFEDHN
N#CC(C(=O)c1ccoc1C1CC1)c1nnc2n1CCCCC2	ZINC000684948590	546307428	/nfs/dbraw/zinc/30/74/28/546307428.db2.gz	YPWWYJWNPYPFMS-CYBMUJFWSA-N	0	3	310.357	2.965	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000823893926	608280873	/nfs/dbraw/zinc/28/08/73/608280873.db2.gz	BNVYUINWXVTJTE-CQSZACIVSA-N	0	3	301.394	2.580	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000823893926	608280875	/nfs/dbraw/zinc/28/08/75/608280875.db2.gz	BNVYUINWXVTJTE-CQSZACIVSA-N	0	3	301.394	2.580	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2OCC2CC2)CC1	ZINC000076933238	185057324	/nfs/dbraw/zinc/05/73/24/185057324.db2.gz	VSTHTHGRBRFIEH-UHFFFAOYSA-N	0	3	312.413	2.759	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1	ZINC000278388056	214134241	/nfs/dbraw/zinc/13/42/41/214134241.db2.gz	AASYYGKGLOZSSW-OAHLLOKOSA-N	0	3	310.397	2.557	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1Cl	ZINC000278574067	214247505	/nfs/dbraw/zinc/24/75/05/214247505.db2.gz	FAOMBRFQYFPWDE-WBMJQRKESA-N	0	3	311.809	2.534	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccccc1	ZINC000065931373	398351081	/nfs/dbraw/zinc/35/10/81/398351081.db2.gz	CUWAMYQLZYMAFP-UHFFFAOYSA-N	0	3	307.397	2.762	20	30		DFEDHN
C[C@H]1CC[C@@H](CNc2ncc(Br)cc2C#N)N1C	ZINC000596220843	398360830	/nfs/dbraw/zinc/36/08/30/398360830.db2.gz	CMXQSHRKJIJAPL-CABZTGNLSA-N	0	3	309.211	2.610	20	30		DFEDHN
N#CCCC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1	ZINC000591976365	398367360	/nfs/dbraw/zinc/36/73/60/398367360.db2.gz	SHJXYZKXKDKOIF-KRWDZBQOSA-N	0	3	318.465	2.729	20	30		DFEDHN
CCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H]1CCN(C)C1	ZINC000591971210	398365911	/nfs/dbraw/zinc/36/59/11/398365911.db2.gz	FRZZXCITIIQVQI-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
CC[C@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000596258803	398370070	/nfs/dbraw/zinc/37/00/70/398370070.db2.gz	MZBIURKIFDVPSV-ZDUSSCGKSA-N	0	3	302.378	2.695	20	30		DFEDHN
C[C@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)N(C)C1CC1	ZINC000596264173	398371438	/nfs/dbraw/zinc/37/14/38/398371438.db2.gz	JOTZJXOKOXIDLF-CYBMUJFWSA-N	0	3	314.433	2.575	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1ncon1	ZINC000578400645	398372950	/nfs/dbraw/zinc/37/29/50/398372950.db2.gz	BUHGACBFKVAPIX-CVEARBPZSA-N	0	3	324.384	2.896	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000578887016	398376409	/nfs/dbraw/zinc/37/64/09/398376409.db2.gz	GISRLJGISIBYRD-SCRDCRAPSA-N	0	3	319.371	2.752	20	30		DFEDHN
COCCN(CCC[C@@H]1CCOC1)Cc1ccc(C#N)cc1	ZINC000592068336	398379063	/nfs/dbraw/zinc/37/90/63/398379063.db2.gz	YAXUUSGAQQRAOQ-GOSISDBHSA-N	0	3	302.418	2.823	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2nnco2)CC1	ZINC000579363461	398379709	/nfs/dbraw/zinc/37/97/09/398379709.db2.gz	SUQIHANYJFGKLB-INIZCTEOSA-N	0	3	324.384	2.548	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3ccsc3[nH]2)CC1	ZINC000592075518	398380171	/nfs/dbraw/zinc/38/01/71/398380171.db2.gz	BXZKQQHYXDCLCN-UHFFFAOYSA-N	0	3	303.431	3.000	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(CSC)cc2)CC1	ZINC000066550595	398384192	/nfs/dbraw/zinc/38/41/92/398384192.db2.gz	SXTKTZVRWZRLFW-UHFFFAOYSA-N	0	3	302.443	2.833	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccnc(Cl)c2)CC1	ZINC000090554039	185303000	/nfs/dbraw/zinc/30/30/00/185303000.db2.gz	MSOGCBDDDLWGQQ-ONEGZZNKSA-N	0	3	305.809	2.515	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN2CC[C@@H](CO)C2)c1	ZINC000092764711	185339089	/nfs/dbraw/zinc/33/90/89/185339089.db2.gz	NNQKGWJRCWSMHV-QGZVFWFLSA-N	0	3	322.408	2.951	20	30		DFEDHN
CC1(C)CCC[C@@H]1[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000592154244	398393548	/nfs/dbraw/zinc/39/35/48/398393548.db2.gz	NHHSSOWXSHZPNI-LSDHHAIUSA-N	0	3	303.450	2.697	20	30		DFEDHN
COC(=O)[C@@H](CCN1CCC(CC#N)CC1)c1ccccc1	ZINC000581814373	398393161	/nfs/dbraw/zinc/39/31/61/398393161.db2.gz	KIIASCPQYFGULL-KRWDZBQOSA-N	0	3	300.402	2.959	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@@H]([C@H]2CCCC2(C)C)C1)C1CC1	ZINC000592154275	398394027	/nfs/dbraw/zinc/39/40/27/398394027.db2.gz	NYEXPGSRJCULQV-OGWOLHLISA-N	0	3	317.477	2.943	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(c3ccnn3C)CC2)cc1	ZINC000092810457	185342988	/nfs/dbraw/zinc/34/29/88/185342988.db2.gz	LCUKIXYNYOVESP-UHFFFAOYSA-N	0	3	309.413	2.812	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCCC[C@@H]2C2CCC2)c1	ZINC000592199296	398401562	/nfs/dbraw/zinc/40/15/62/398401562.db2.gz	ZPMIOCXVJDMQEQ-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
N#Cc1ccc(CN2CCC(NCc3nccs3)CC2)cc1	ZINC000181544422	199314913	/nfs/dbraw/zinc/31/49/13/199314913.db2.gz	RIFDVUYPWYKYBI-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](COC)C1CC1	ZINC000181582452	199321998	/nfs/dbraw/zinc/32/19/98/199321998.db2.gz	AWCSPDWHGILQSU-HNNXBMFYSA-N	0	3	320.458	2.918	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1	ZINC000292797644	529810714	/nfs/dbraw/zinc/81/07/14/529810714.db2.gz	WAVGEYMXBTWYFR-INIZCTEOSA-N	0	3	318.808	2.771	20	30		DFEDHN
CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1	ZINC000286658859	219108292	/nfs/dbraw/zinc/10/82/92/219108292.db2.gz	ZRVYOZOSQXPTDH-HNNXBMFYSA-N	0	3	303.381	2.578	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC[C@H](CC#N)C2)c1	ZINC000596447178	398415165	/nfs/dbraw/zinc/41/51/65/398415165.db2.gz	MONHBOKMJNMJJV-CQSZACIVSA-N	0	3	300.406	2.906	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(F)c(SC)c(F)c2)CC1	ZINC000181668427	199335839	/nfs/dbraw/zinc/33/58/39/199335839.db2.gz	XRGPWVPUVDVUHS-UHFFFAOYSA-N	0	3	324.396	2.970	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)c1	ZINC000584873330	398423769	/nfs/dbraw/zinc/42/37/69/398423769.db2.gz	OAEHAGFBFCWNBS-SFHVURJKSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#Cc1cnccc1CN1CCNC[C@@H]1c1cccc(Cl)c1	ZINC000592489145	398432876	/nfs/dbraw/zinc/43/28/76/398432876.db2.gz	HYNFNUXYIGMRKC-QGZVFWFLSA-N	0	3	312.804	2.753	20	30		DFEDHN
CC(C)CCOCCN1CCCN(c2ncccc2C#N)CC1	ZINC000067460134	398435903	/nfs/dbraw/zinc/43/59/03/398435903.db2.gz	OYVAJXBLCFLEDY-UHFFFAOYSA-N	0	3	316.449	2.528	20	30		DFEDHN
COCC[C@@H](C)ON=C(N)c1cccc(CN2CCCCC2)c1	ZINC000088519740	398437478	/nfs/dbraw/zinc/43/74/78/398437478.db2.gz	OMDGZDOMBHVYBD-OAHLLOKOSA-N	0	3	319.449	2.734	20	30		DFEDHN
COC[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000181673490	199336919	/nfs/dbraw/zinc/33/69/19/199336919.db2.gz	JADAWXVHQOUMBE-SFHVURJKSA-N	0	3	323.396	2.864	20	30		DFEDHN
N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCC1	ZINC000586776517	398456767	/nfs/dbraw/zinc/45/67/67/398456767.db2.gz	VHWIBPNCMHCIMU-KSZLIROESA-N	0	3	323.440	2.817	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)[C@H](C(=O)OC)C2)cc1OC	ZINC000280343230	398460835	/nfs/dbraw/zinc/46/08/35/398460835.db2.gz	SFNFHUWBGRITFB-UKRRQHHQSA-N	0	3	319.401	2.501	20	30		DFEDHN
N#Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1Cl	ZINC000089603286	398459340	/nfs/dbraw/zinc/45/93/40/398459340.db2.gz	XSQSDXNJVKJRLY-HNNXBMFYSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)c2ccccc2n1	ZINC000089603225	398459374	/nfs/dbraw/zinc/45/93/74/398459374.db2.gz	CTGVWNHPKNFXOX-MRXNPFEDSA-N	0	3	322.412	2.772	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1	ZINC000286759933	219150825	/nfs/dbraw/zinc/15/08/25/219150825.db2.gz	HKKMOCJHBKTNPZ-DYVFJYSZSA-N	0	3	307.401	2.589	20	30		DFEDHN
CCN1CCN(c2ccc(NC(=O)[C@H](C)CC#N)c(C)c2)CC1	ZINC000596665404	398475058	/nfs/dbraw/zinc/47/50/58/398475058.db2.gz	YLFWZCZWGCBZNO-CQSZACIVSA-N	0	3	314.433	2.625	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000596703450	398481373	/nfs/dbraw/zinc/48/13/73/398481373.db2.gz	MLKSYOGFXILEKI-AWEZNQCLSA-N	0	3	316.405	2.563	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000596724723	398486691	/nfs/dbraw/zinc/48/66/91/398486691.db2.gz	CKTQNIJRUCGXNE-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@@H](CN(Cc1ccnc(C#N)c1)[C@@H](C)CO)c1ccccc1	ZINC000588214982	398489906	/nfs/dbraw/zinc/48/99/06/398489906.db2.gz	VECKYKIEFGCAAF-HOTGVXAUSA-N	0	3	309.413	2.940	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc(CO)cc1	ZINC000592825682	398490717	/nfs/dbraw/zinc/49/07/17/398490717.db2.gz	DGGBVBCVBKISPQ-SFHVURJKSA-N	0	3	308.381	2.568	20	30		DFEDHN
CCCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCN(C)C1	ZINC000592829361	398491999	/nfs/dbraw/zinc/49/19/99/398491999.db2.gz	OMFLKZLAURCRBS-MSOLQXFVSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCN(C)C1	ZINC000592831754	398492786	/nfs/dbraw/zinc/49/27/86/398492786.db2.gz	ONQDILCEUJFRJY-INIZCTEOSA-N	0	3	324.428	2.721	20	30		DFEDHN
N#C[C@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000596761811	398495357	/nfs/dbraw/zinc/49/53/57/398495357.db2.gz	NXSKABVQZCHDAL-NVXWUHKLSA-N	0	3	318.465	2.729	20	30		DFEDHN
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC(C)C	ZINC000068334632	398495598	/nfs/dbraw/zinc/49/55/98/398495598.db2.gz	UXTLFPYYWJLZMI-OAHLLOKOSA-N	0	3	317.433	2.918	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)CCCCCC#N)o1	ZINC000588646788	398500620	/nfs/dbraw/zinc/50/06/20/398500620.db2.gz	VCACPZMKNBPCRT-UHFFFAOYSA-N	0	3	305.422	2.952	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000030532649	398503656	/nfs/dbraw/zinc/50/36/56/398503656.db2.gz	WKNZWVTYYZYTOP-KBXCAEBGSA-N	0	3	321.380	2.520	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(C#N)c1	ZINC000181970070	199368721	/nfs/dbraw/zinc/36/87/21/199368721.db2.gz	FETSHRCAGZPEGQ-RHSMWYFYSA-N	0	3	307.401	2.668	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596853341	398513819	/nfs/dbraw/zinc/51/38/19/398513819.db2.gz	JXDMXOJFHJVIML-RDJZCZTQSA-N	0	3	314.433	2.995	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1	ZINC000308183960	398512454	/nfs/dbraw/zinc/51/24/54/398512454.db2.gz	YSJPMFQZCYKNSI-RHSMWYFYSA-N	0	3	321.428	2.986	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596857377	398514541	/nfs/dbraw/zinc/51/45/41/398514541.db2.gz	LJEKELGGJNRJOC-HNNXBMFYSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1	ZINC000681061837	545591201	/nfs/dbraw/zinc/59/12/01/545591201.db2.gz	ZEUUYWJUKZEZBJ-UHFFFAOYSA-N	0	3	314.429	2.775	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1	ZINC000068779741	398526638	/nfs/dbraw/zinc/52/66/38/398526638.db2.gz	WZHBQSWZOHGODN-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000331133867	232615829	/nfs/dbraw/zinc/61/58/29/232615829.db2.gz	CBLYLSAQRGHYET-HUUCEWRRSA-N	0	3	323.234	2.961	20	30		DFEDHN
C[C@@H]1CC(NCCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000317070573	398533722	/nfs/dbraw/zinc/53/37/22/398533722.db2.gz	ZSFXRUSTPQXWFU-KBPBESRZSA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CC[C@H](CC)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000280879165	334966355	/nfs/dbraw/zinc/96/63/55/334966355.db2.gz	ADYYIBXTSOYGFF-STQMWFEESA-N	0	3	311.223	2.920	20	30		DFEDHN
CN(C)CCN(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1	ZINC000589194964	398535868	/nfs/dbraw/zinc/53/58/68/398535868.db2.gz	HMGYDIRBXBIMQM-UHFFFAOYSA-N	0	3	309.413	2.828	20	30		DFEDHN
CN(C)C(=O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000596980390	398540187	/nfs/dbraw/zinc/54/01/87/398540187.db2.gz	NYWFMNNIEURPQJ-UHFFFAOYSA-N	0	3	311.429	2.542	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000597006643	398546232	/nfs/dbraw/zinc/54/62/32/398546232.db2.gz	UPJYLCKYUCXPPG-ZIAGYGMSSA-N	0	3	305.447	2.626	20	30		DFEDHN
CN(Cc1cccc(F)c1)C[C@H](O)COc1ccccc1C#N	ZINC000320123066	398545561	/nfs/dbraw/zinc/54/55/61/398545561.db2.gz	FARVTGXUQSIKDJ-KRWDZBQOSA-N	0	3	314.360	2.569	20	30		DFEDHN
CCc1ccccc1CNC[C@@H](O)COc1ccccc1C#N	ZINC000321374557	398552377	/nfs/dbraw/zinc/55/23/77/398552377.db2.gz	DAXNZOWXKAVMNS-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCc1cccc(C#N)c1	ZINC000286953012	219241663	/nfs/dbraw/zinc/24/16/63/219241663.db2.gz	DAYQMXJWSHCVFZ-UHFFFAOYSA-N	0	3	314.433	2.576	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(C#N)cc1	ZINC000324201869	398562351	/nfs/dbraw/zinc/56/23/51/398562351.db2.gz	MBNGMENIEAQUJP-KDOFPFPSSA-N	0	3	321.380	2.520	20	30		DFEDHN
CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1	ZINC000597082476	398562840	/nfs/dbraw/zinc/56/28/40/398562840.db2.gz	KTUADORRMVDTPL-UONOGXRCSA-N	0	3	300.402	2.919	20	30		DFEDHN
N#CC1(c2ccc(CN3CCc4cc[nH]c(=O)c4C3)cc2)CC1	ZINC000597112839	398568102	/nfs/dbraw/zinc/56/81/02/398568102.db2.gz	JFFFTFLWQPWHKC-UHFFFAOYSA-N	0	3	305.381	2.901	20	30		DFEDHN
Cc1nc(N2CCN(c3ccncc3)CC2)c(Cl)cc1C#N	ZINC000589683782	398570792	/nfs/dbraw/zinc/57/07/92/398570792.db2.gz	SZFQRBJQWMZKSP-UHFFFAOYSA-N	0	3	313.792	2.637	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)CCc2cccc(F)c2)C1=O	ZINC000337178904	398575436	/nfs/dbraw/zinc/57/54/36/398575436.db2.gz	LDFVEWIYIQLQHG-KRWDZBQOSA-N	0	3	304.409	2.867	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1cn(C)nc1C(=O)OCC	ZINC000597174539	398582429	/nfs/dbraw/zinc/58/24/29/398582429.db2.gz	XOLXDBQITZQNDH-DZGCQCFKSA-N	0	3	305.422	2.821	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597178654	398583370	/nfs/dbraw/zinc/58/33/70/398583370.db2.gz	MTOLNBCACOMIOQ-HZPDHXFCSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(C#N)cn1C	ZINC000081731792	282639512	/nfs/dbraw/zinc/63/95/12/282639512.db2.gz	IFCLCKZOFSCREU-UHFFFAOYSA-N	0	3	324.428	2.621	20	30		DFEDHN
N#Cc1nccnc1NCC1(N2CCSCC2)CCCCC1	ZINC000069798419	398584692	/nfs/dbraw/zinc/58/46/92/398584692.db2.gz	YIIXKAKXUXTTFT-UHFFFAOYSA-N	0	3	317.462	2.512	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000590005500	398589558	/nfs/dbraw/zinc/58/95/58/398589558.db2.gz	SSPRNJUCGXGGOV-SFHVURJKSA-N	0	3	318.380	2.787	20	30		DFEDHN
Cn1nccc1[C@@H]1OCC[C@H]1CNCC1(C#N)CCCCC1	ZINC000597215993	398593623	/nfs/dbraw/zinc/59/36/23/398593623.db2.gz	RWNPDUSJNSJLAV-GOEBONIOSA-N	0	3	302.422	2.561	20	30		DFEDHN
CN1CCC[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000590071963	398594821	/nfs/dbraw/zinc/59/48/21/398594821.db2.gz	SQBJHCAFOXTYIM-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@@H]3C[C@@H]3C2)c(-c2ccncc2)n1	ZINC000597222067	398596071	/nfs/dbraw/zinc/59/60/71/398596071.db2.gz	BRTDAFXPXJCYFF-HZPDHXFCSA-N	0	3	307.401	2.701	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(CC(=O)NC3CCCC3)CC2)C1	ZINC000590155928	398601174	/nfs/dbraw/zinc/60/11/74/398601174.db2.gz	YXPLJDQJAHHWNG-DOTOQJQBSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C#N)cc1F	ZINC000597237838	398601538	/nfs/dbraw/zinc/60/15/38/398601538.db2.gz	DDOYVTLISOWFLF-NVXWUHKLSA-N	0	3	304.365	2.909	20	30		DFEDHN
CN(C(=O)CC1(C#N)CC1)C1CCN(Cc2ccccc2)CC1	ZINC000590246916	398606897	/nfs/dbraw/zinc/60/68/97/398606897.db2.gz	XNSDRXUJGVIKSA-UHFFFAOYSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)CC2(C#N)CC2)CC1	ZINC000590204842	398604940	/nfs/dbraw/zinc/60/49/40/398604940.db2.gz	ASJMAFCBQYOEFV-UHFFFAOYSA-N	0	3	312.417	2.825	20	30		DFEDHN
CCCCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000042845045	398605066	/nfs/dbraw/zinc/60/50/66/398605066.db2.gz	VQJMWADGEMRGBP-UHFFFAOYSA-N	0	3	316.449	2.822	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590294629	398611292	/nfs/dbraw/zinc/61/12/92/398611292.db2.gz	JUYOBVKPLFUJSN-RDJZCZTQSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCc1cc(CN2CCC([C@@H](C)O)CC2)cc(OC)c1O	ZINC000092969802	398610459	/nfs/dbraw/zinc/61/04/59/398610459.db2.gz	LLRXKNYJZFFKJS-CYBMUJFWSA-N	0	3	305.418	2.722	20	30		DFEDHN
Cc1cc(NC(=O)[C@H](C)CC#N)ccc1OCCN1CCCC1	ZINC000597265595	398610739	/nfs/dbraw/zinc/61/07/39/398610739.db2.gz	APKNGZHVDONEGH-CQSZACIVSA-N	0	3	315.417	2.958	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(OC)c(OC)c1OC	ZINC000280717391	334969706	/nfs/dbraw/zinc/96/97/06/334969706.db2.gz	URKGTYXVFNFCPX-ZBFHGGJFSA-N	0	3	321.417	2.783	20	30		DFEDHN
CN1C[C@H]2[C@@H](CCN2C(=O)c2c(Cl)cc(C#N)cc2Cl)C1	ZINC000590446550	398622987	/nfs/dbraw/zinc/62/29/87/398622987.db2.gz	WGOOGSDAWRPOTK-GWCFXTLKSA-N	0	3	324.211	2.641	20	30		DFEDHN
C[C@@H](C1CC1)N(C)CC(=O)Nc1ccccc1SCC#N	ZINC000072581904	398623657	/nfs/dbraw/zinc/62/36/57/398623657.db2.gz	DHJHXGXSYGPKEP-LBPRGKRZSA-N	0	3	303.431	2.971	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCCN(CC3CCC3)CC2)ccc1F	ZINC000590538344	398629983	/nfs/dbraw/zinc/62/99/83/398629983.db2.gz	VRTFJMJVUJSGFP-UHFFFAOYSA-N	0	3	315.392	2.645	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000593440676	398630297	/nfs/dbraw/zinc/63/02/97/398630297.db2.gz	LIDYMYDYHGLVDW-KBPBESRZSA-N	0	3	305.447	2.626	20	30		DFEDHN
CO[C@](C)(CN1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1	ZINC000590594696	398636425	/nfs/dbraw/zinc/63/64/25/398636425.db2.gz	LDIDJPQAZAEOHU-RTBURBONSA-N	0	3	313.445	2.684	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)CC2(C)C)cc(OC)c1O	ZINC000093457281	398637916	/nfs/dbraw/zinc/63/79/16/398637916.db2.gz	LXFATGFHTIDEDB-UHFFFAOYSA-N	0	3	304.434	2.655	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)CC2(C#N)CCOCC2)c1	ZINC000597445453	398642734	/nfs/dbraw/zinc/64/27/34/398642734.db2.gz	HVLPZVFQWYRKSM-UHFFFAOYSA-N	0	3	315.417	2.706	20	30		DFEDHN
C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)O1	ZINC000590648947	398645692	/nfs/dbraw/zinc/64/56/92/398645692.db2.gz	HYPPLSCOVQRVBJ-IIYDPXPESA-N	0	3	310.401	2.614	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)CC2(C#N)CCCCC2)CC1	ZINC000597463422	398645763	/nfs/dbraw/zinc/64/57/63/398645763.db2.gz	UYUDNNUMECZQMR-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)n2c1	ZINC000590656895	398646408	/nfs/dbraw/zinc/64/64/08/398646408.db2.gz	HJRKPFYCJVGGGD-RCCFBDPRSA-N	0	3	324.428	2.721	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000590671451	398649214	/nfs/dbraw/zinc/64/92/14/398649214.db2.gz	XPVKXHXJKFOXOF-QGZVFWFLSA-N	0	3	322.412	2.541	20	30		DFEDHN
CN(CCN1CCCCC1)c1nc(C(F)(F)F)ccc1C#N	ZINC000593517359	398650891	/nfs/dbraw/zinc/65/08/91/398650891.db2.gz	SGANNPXENQWUFH-UHFFFAOYSA-N	0	3	312.339	2.894	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C1CCCC1	ZINC000285901189	186565533	/nfs/dbraw/zinc/56/55/33/186565533.db2.gz	JRMGXFQBLUIXGJ-KRWDZBQOSA-N	0	3	312.417	2.945	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1	ZINC000171893032	198003127	/nfs/dbraw/zinc/00/31/27/198003127.db2.gz	CJLYIRKMQUYIFO-INIZCTEOSA-N	0	3	315.417	2.953	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCC3CC3)cc2)CC1	ZINC000171948947	198013242	/nfs/dbraw/zinc/01/32/42/198013242.db2.gz	GASOYOVFZMVSJU-UHFFFAOYSA-N	0	3	312.413	2.759	20	30		DFEDHN
C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C#N)c1	ZINC000171955458	198015033	/nfs/dbraw/zinc/01/50/33/198015033.db2.gz	XMBKTXWUKDBKOK-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
CN1CC[C@@H]2CN(c3c(C#N)cnc4c(F)ccc(F)c43)C[C@@H]21	ZINC000590719130	398658216	/nfs/dbraw/zinc/65/82/16/398658216.db2.gz	WLQFNEZXVVOVHP-YGRLFVJLSA-N	0	3	314.339	2.525	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1	ZINC000593687875	398671349	/nfs/dbraw/zinc/67/13/49/398671349.db2.gz	KNQLSTIERGMHET-CABCVRRESA-N	0	3	319.474	2.887	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000597627469	398671491	/nfs/dbraw/zinc/67/14/91/398671491.db2.gz	URVPLZINGFAWLT-DOTOQJQBSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000597627470	398671724	/nfs/dbraw/zinc/67/17/24/398671724.db2.gz	URVPLZINGFAWLT-NVXWUHKLSA-N	0	3	313.445	2.953	20	30		DFEDHN
CCC(C#N)C(=O)N[C@](CC)(C(=O)OC)c1ccc(Cl)cc1	ZINC000593699267	398673922	/nfs/dbraw/zinc/67/39/22/398673922.db2.gz	DSXWJQMLTSOCEB-BZNIZROVSA-N	0	3	322.792	2.784	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC(C)(C)c2ccccc21	ZINC000280969165	334974718	/nfs/dbraw/zinc/97/47/18/334974718.db2.gz	VJAGBVONEURFKD-INIZCTEOSA-N	0	3	307.459	2.990	20	30		DFEDHN
C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN(C2CC2)C1	ZINC000597703740	398683010	/nfs/dbraw/zinc/68/30/10/398683010.db2.gz	IPDVEOFZFSPZKL-OAHLLOKOSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@]23CCc2ccccc23)CC1	ZINC000173161015	198190399	/nfs/dbraw/zinc/19/03/99/198190399.db2.gz	XSGKVBZIDHTNAU-QUCCMNQESA-N	0	3	310.441	2.657	20	30		DFEDHN
Cn1cc(CCCN2CCC(Oc3cccc(C#N)c3)CC2)cn1	ZINC000104712573	398689365	/nfs/dbraw/zinc/68/93/65/398689365.db2.gz	IUHIUPSTFBWSDV-UHFFFAOYSA-N	0	3	324.428	2.768	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2ccccc2F)CC1	ZINC000106040766	398695506	/nfs/dbraw/zinc/69/55/06/398695506.db2.gz	NRFNJRPODLVVKO-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
N#CC1(CC(=O)N2CCN(c3ccnc4ccccc43)CC2)CC1	ZINC000593897581	398701326	/nfs/dbraw/zinc/70/13/26/398701326.db2.gz	SCHAGFWFWYFZPF-UHFFFAOYSA-N	0	3	320.396	2.577	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c2cc(F)ccc2O1	ZINC000593916111	398703112	/nfs/dbraw/zinc/70/31/12/398703112.db2.gz	AWPHXRSYDNTAJH-KGLIPLIRSA-N	0	3	319.380	2.565	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@@H](N)CCCC#N)CCc2ccc(Cl)cc21	ZINC000593914278	398703144	/nfs/dbraw/zinc/70/31/44/398703144.db2.gz	HWDMJCCSGPCBSX-LRDDRELGSA-N	0	3	319.836	2.849	20	30		DFEDHN
Cc1c(CN(C)C(=O)[C@@]2(C#N)CCNC2)oc2c1cccc2C	ZINC000593916694	398703168	/nfs/dbraw/zinc/70/31/68/398703168.db2.gz	PEKGZOMHARAEDH-GOSISDBHSA-N	0	3	311.385	2.511	20	30		DFEDHN
CCOc1cc(C[NH2+]C2CCN(CC#N)CC2)cc(Cl)c1[O-]	ZINC000590956291	398708310	/nfs/dbraw/zinc/70/83/10/398708310.db2.gz	JFUBXVLVNLQMQD-UHFFFAOYSA-N	0	3	323.824	2.522	20	30		DFEDHN
C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(C)(C)C1CC1	ZINC000593960659	398708965	/nfs/dbraw/zinc/70/89/65/398708965.db2.gz	BCJADTQHUIZHJG-CQSZACIVSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@H]1CN(c2nccnc2C#N)CCN1CCC(C)(C)C1CC1	ZINC000593960656	398708998	/nfs/dbraw/zinc/70/89/98/398708998.db2.gz	BCJADTQHUIZHJG-AWEZNQCLSA-N	0	3	313.449	2.685	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN(C)C1	ZINC000108588753	398714993	/nfs/dbraw/zinc/71/49/93/398714993.db2.gz	UBJAXAJPPIPCPQ-AWEZNQCLSA-N	0	3	307.463	2.788	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1	ZINC000597905187	398717178	/nfs/dbraw/zinc/71/71/78/398717178.db2.gz	NWGPKJVFBBXQJJ-NVXWUHKLSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1	ZINC000004033979	181065055	/nfs/dbraw/zinc/06/50/55/181065055.db2.gz	KZKUPVQCTSCTJZ-LBPRGKRZSA-N	0	3	306.281	2.961	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CCC2)C1	ZINC000591061972	398720109	/nfs/dbraw/zinc/72/01/09/398720109.db2.gz	PXMNWCYQFUUJCH-GOEBONIOSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@H](OC3CCC3)C2)cc1	ZINC000594026103	398724779	/nfs/dbraw/zinc/72/47/79/398724779.db2.gz	COCMKEVOMAVXEI-SFHVURJKSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(C)S(=O)(=O)CCCNC1(c2ccc(C#N)cc2)CCC1	ZINC000594032671	398726638	/nfs/dbraw/zinc/72/66/38/398726638.db2.gz	ZKOJNLUHXJVTAI-UHFFFAOYSA-N	0	3	320.458	2.740	20	30		DFEDHN
N#Cc1cccnc1NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000277004864	213233845	/nfs/dbraw/zinc/23/38/45/213233845.db2.gz	IIGFFFSDBPWFER-SFHVURJKSA-N	0	3	322.412	2.656	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC=CCC1	ZINC000047010648	398732582	/nfs/dbraw/zinc/73/25/82/398732582.db2.gz	QFZQXKHUFGNVQE-SFHVURJKSA-N	0	3	311.429	2.805	20	30		DFEDHN
CC(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000047272606	398742096	/nfs/dbraw/zinc/74/20/96/398742096.db2.gz	MUFUBWKJJNIJHU-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1	ZINC000598042790	398742834	/nfs/dbraw/zinc/74/28/34/398742834.db2.gz	YEXYGHKVKMMMRZ-MAUKXSAKSA-N	0	3	313.445	2.680	20	30		DFEDHN
Cc1csc(NC(=O)N(C)CCN2CCCCC2)c1C#N	ZINC000594105189	398744287	/nfs/dbraw/zinc/74/42/87/398744287.db2.gz	OGJTXVICEAFKOG-UHFFFAOYSA-N	0	3	306.435	2.878	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCN1CC	ZINC000074496349	398750741	/nfs/dbraw/zinc/75/07/41/398750741.db2.gz	WBMWDDRANSEIDB-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC1(F)F	ZINC000591377443	398754530	/nfs/dbraw/zinc/75/45/30/398754530.db2.gz	YUIQZWNODXSBFQ-NILFDRSVSA-N	0	3	319.355	2.687	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CC2CC2)CC2CC2)CC1	ZINC000115678849	398754726	/nfs/dbraw/zinc/75/47/26/398754726.db2.gz	PBMLVWRINAYYOT-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C[C@H](C#N)N(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1	ZINC000598131002	398759584	/nfs/dbraw/zinc/75/95/84/398759584.db2.gz	VXVQMXZMKLWJKO-NVXWUHKLSA-N	0	3	311.429	2.802	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)cc1F	ZINC000591504353	398768277	/nfs/dbraw/zinc/76/82/77/398768277.db2.gz	UWUYIVCOZHKRGB-WCQYABFASA-N	0	3	302.271	2.633	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN1CCCCC1	ZINC000594229525	398769838	/nfs/dbraw/zinc/76/98/38/398769838.db2.gz	GBLDOVPQJHMQSJ-CVEARBPZSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CCOCC1)C(C)C	ZINC000074853167	398772155	/nfs/dbraw/zinc/77/21/55/398772155.db2.gz	IZRBNAOWZYXCDK-QGZVFWFLSA-N	0	3	323.481	2.505	20	30		DFEDHN
C[C@]1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000598221780	398774327	/nfs/dbraw/zinc/77/43/27/398774327.db2.gz	WTCAKDLXNCDZSI-ZBFHGGJFSA-N	0	3	317.339	2.792	20	30		DFEDHN
C[C@H](NC(=O)[C@]1(C#N)CCNC1)c1ccc(Cl)c(Cl)c1	ZINC000591592016	398774329	/nfs/dbraw/zinc/77/43/29/398774329.db2.gz	KTWNSJLWWKOWTK-XPTSAGLGSA-N	0	3	312.200	2.674	20	30		DFEDHN
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H](N)CCCC#N	ZINC000591591353	398774635	/nfs/dbraw/zinc/77/46/35/398774635.db2.gz	BFCVLRCPCHZHCQ-MRXNPFEDSA-N	0	3	301.434	2.964	20	30		DFEDHN
N#CC1CCC(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1	ZINC000594241582	398772582	/nfs/dbraw/zinc/77/25/82/398772582.db2.gz	DEPQAPZBGPNAKQ-SJJHQCBESA-N	0	3	318.465	2.632	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)C2CCOCC2)CC1	ZINC000074877143	398772869	/nfs/dbraw/zinc/77/28/69/398772869.db2.gz	QCIDZOSGBFZPJC-QGZVFWFLSA-N	0	3	323.481	2.531	20	30		DFEDHN
CC(C)CCOc1cccc(NC(=O)[C@@]2(C#N)CCNC2)c1	ZINC000591603643	398775343	/nfs/dbraw/zinc/77/53/43/398775343.db2.gz	DFBYTWWTBSANPY-QGZVFWFLSA-N	0	3	301.390	2.553	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCNC1	ZINC000591611996	398776152	/nfs/dbraw/zinc/77/61/52/398776152.db2.gz	UWXXGMYQSWHJGU-SWLSCSKDSA-N	0	3	324.211	2.600	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000591607060	398776190	/nfs/dbraw/zinc/77/61/90/398776190.db2.gz	BOTFASFFZVHHMG-INIZCTEOSA-N	0	3	321.371	2.692	20	30		DFEDHN
N#C[C@@]1(C(=O)NCC2CCC(c3ccccc3)CC2)CCNC1	ZINC000591613632	398776275	/nfs/dbraw/zinc/77/62/75/398776275.db2.gz	QKAHKVPDDYKLMZ-KVWWFHCMSA-N	0	3	311.429	2.580	20	30		DFEDHN
CCN1CCC(N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594272083	398777883	/nfs/dbraw/zinc/77/78/83/398777883.db2.gz	QTSXOCGQFNNCPX-HNNXBMFYSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000594292642	398779762	/nfs/dbraw/zinc/77/97/62/398779762.db2.gz	LWUMSMIZMHKRIG-CRAIPNDOSA-N	0	3	313.445	2.537	20	30		DFEDHN
CCC(CC)(CC)CNCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000591753801	398784233	/nfs/dbraw/zinc/78/42/33/398784233.db2.gz	KUMURPYMQVLVAJ-UHFFFAOYSA-N	0	3	323.462	2.533	20	30		DFEDHN
N#CCCCNCCC(=O)Nc1ccc(Br)cc1	ZINC000591758992	398784835	/nfs/dbraw/zinc/78/48/35/398784835.db2.gz	AQOOOAYOYLLFBX-UHFFFAOYSA-N	0	3	310.195	2.671	20	30		DFEDHN
CC[C@H]1CN(C)CCN1Cc1cc(C#N)ccc1Br	ZINC000591849388	398794722	/nfs/dbraw/zinc/79/47/22/398794722.db2.gz	LRLOPNWNZNHAAL-AWEZNQCLSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000049406729	398795074	/nfs/dbraw/zinc/79/50/74/398795074.db2.gz	STPYXEZPXHSQTJ-OAHLLOKOSA-N	0	3	322.368	2.932	20	30		DFEDHN
C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594425898	398797745	/nfs/dbraw/zinc/79/77/45/398797745.db2.gz	BHZRGZHNCQGYGN-ABAIWWIYSA-N	0	3	309.360	2.895	20	30		DFEDHN
Cc1ccc(CSCCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594424977	398797770	/nfs/dbraw/zinc/79/77/70/398797770.db2.gz	FMUCCOJQIRHDKI-MRXNPFEDSA-N	0	3	319.474	2.756	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000594424451	398797866	/nfs/dbraw/zinc/79/78/66/398797866.db2.gz	DTJNLLYVMYBCIF-GOSISDBHSA-N	0	3	313.445	2.879	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCc1ccc2ccccc2c1	ZINC000594425741	398798006	/nfs/dbraw/zinc/79/80/06/398798006.db2.gz	BOJUUXWJRJMBED-SFHVURJKSA-N	0	3	309.413	2.910	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCc1csc2ccccc12	ZINC000594428466	398798624	/nfs/dbraw/zinc/79/86/24/398798624.db2.gz	MGBPSIJOARVVBQ-HNNXBMFYSA-N	0	3	315.442	2.971	20	30		DFEDHN
CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594428458	398798480	/nfs/dbraw/zinc/79/84/80/398798480.db2.gz	MGASEUMAHIAJIU-KBPBESRZSA-N	0	3	305.447	2.995	20	30		DFEDHN
CC(C)N(Cc1cccc(F)c1)C(=O)[C@H](N)CCCCC#N	ZINC000594427572	398798503	/nfs/dbraw/zinc/79/85/03/398798503.db2.gz	JGQLEWCWENZXIE-MRXNPFEDSA-N	0	3	305.397	2.974	20	30		DFEDHN
CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594428430	398798547	/nfs/dbraw/zinc/79/85/47/398798547.db2.gz	LTMRQWJJYPTVFR-CQSZACIVSA-N	0	3	316.405	2.693	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C(=O)[C@H](N)CCCCC#N	ZINC000594426985	398798841	/nfs/dbraw/zinc/79/88/41/398798841.db2.gz	UFGWHYQNILEGDW-OAHLLOKOSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1	ZINC000594429325	398798894	/nfs/dbraw/zinc/79/88/94/398798894.db2.gz	STZYBHQEBCQJLM-IAGOWNOFSA-N	0	3	317.408	2.770	20	30		DFEDHN
Cc1ncc(-c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)o1	ZINC000594430268	398799489	/nfs/dbraw/zinc/79/94/89/398799489.db2.gz	YCACDXWXTKZQJE-OAHLLOKOSA-N	0	3	312.373	3.000	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1	ZINC000594429655	398799506	/nfs/dbraw/zinc/79/95/06/398799506.db2.gz	VDUIEEPBVMFCRT-NSHDSACASA-N	0	3	315.295	2.777	20	30		DFEDHN
CC(C)N(Cc1ccccc1F)C(=O)[C@@H](N)CCCCC#N	ZINC000594429743	398799552	/nfs/dbraw/zinc/79/95/52/398799552.db2.gz	WCJOXDRFRHFBPU-INIZCTEOSA-N	0	3	305.397	2.974	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21	ZINC000594431624	398799572	/nfs/dbraw/zinc/79/95/72/398799572.db2.gz	PCOHRDRDOSOLRR-CABCVRRESA-N	0	3	305.809	2.855	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1	ZINC000594429722	398799692	/nfs/dbraw/zinc/79/96/92/398799692.db2.gz	VSCFWZNFIYNZDZ-HZPDHXFCSA-N	0	3	303.381	2.900	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000594430208	398799713	/nfs/dbraw/zinc/79/97/13/398799713.db2.gz	WXQZDBYSPRBRTJ-LBPRGKRZSA-N	0	3	315.295	2.935	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1cccc(O)c1)CC1CC1	ZINC000594431855	398800410	/nfs/dbraw/zinc/80/04/10/398800410.db2.gz	REZJKDQRAFJRSF-KRWDZBQOSA-N	0	3	315.417	2.542	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@H](N)CCCCC#N)C12CCCCC2	ZINC000594433768	398801163	/nfs/dbraw/zinc/80/11/63/398801163.db2.gz	SHQUIYMEDRHWLX-OWCLPIDISA-N	0	3	321.465	2.642	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H](Cc2ccccc2)C1	ZINC000594434341	398801312	/nfs/dbraw/zinc/80/13/12/398801312.db2.gz	NUSSWGWRBYLPFD-MSOLQXFVSA-N	0	3	313.445	2.879	20	30		DFEDHN
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594433995	398801476	/nfs/dbraw/zinc/80/14/76/398801476.db2.gz	WCFGWAKBPPQERA-NJAFHUGGSA-N	0	3	313.445	2.877	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1C[C@H](OCC)C1(C)C	ZINC000594433686	398801646	/nfs/dbraw/zinc/80/16/46/398801646.db2.gz	QQQRNMHDGBFLSE-OAGGEKHMSA-N	0	3	323.481	2.840	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(F)c1	ZINC000594434437	398801511	/nfs/dbraw/zinc/80/15/11/398801511.db2.gz	ZHTYHOHNLWCVOD-GDBMZVCRSA-N	0	3	321.396	2.511	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1	ZINC000594433984	398801518	/nfs/dbraw/zinc/80/15/18/398801518.db2.gz	VRVDKLZXZGBYCS-CQSZACIVSA-N	0	3	305.809	2.857	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1	ZINC000594435612	398801546	/nfs/dbraw/zinc/80/15/46/398801546.db2.gz	DEJOHXSWZNWTDT-HNNXBMFYSA-N	0	3	319.836	2.899	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(Cl)c1	ZINC000594433791	398801582	/nfs/dbraw/zinc/80/15/82/398801582.db2.gz	STHNGCPSLZNSEG-DOMZBBRYSA-N	0	3	323.824	2.635	20	30		DFEDHN
Cc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594434060	398801684	/nfs/dbraw/zinc/80/16/84/398801684.db2.gz	JXAUMXHNWOOMAG-INIZCTEOSA-N	0	3	301.434	2.844	20	30		DFEDHN
CC[C@@H](c1ccncc1)N(CC)C(=O)[C@@H](N)CCCCC#N	ZINC000594437147	398802020	/nfs/dbraw/zinc/80/20/20/398802020.db2.gz	LKCKTUFDJFXJTO-HOTGVXAUSA-N	0	3	302.422	2.792	20	30		DFEDHN
CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](N)CCCCC#N	ZINC000594437149	398802461	/nfs/dbraw/zinc/80/24/61/398802461.db2.gz	LKCKTUFDJFXJTO-JKSUJKDBSA-N	0	3	302.422	2.792	20	30		DFEDHN
CC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)c1nc(C)cs1	ZINC000594440030	398803074	/nfs/dbraw/zinc/80/30/74/398803074.db2.gz	XYKTUVYCQOUVAQ-WFASDCNBSA-N	0	3	308.451	2.604	20	30		DFEDHN
CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F	ZINC000594442446	398803119	/nfs/dbraw/zinc/80/31/19/398803119.db2.gz	GIMPFIMAIQUFIK-WDEREUQCSA-N	0	3	307.360	2.881	20	30		DFEDHN
CCCOc1ccc(CNC(=O)[C@@H](N)CCCCC#N)c(C)c1	ZINC000594442703	398803452	/nfs/dbraw/zinc/80/34/52/398803452.db2.gz	IBLWPLFCOTYIBK-KRWDZBQOSA-N	0	3	317.433	2.811	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2cc(F)ccc21	ZINC000594444162	398804034	/nfs/dbraw/zinc/80/40/34/398804034.db2.gz	YKFOIGXCEMYFNH-HZPDHXFCSA-N	0	3	303.381	2.731	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCS[C@H](c2ccccc2)C1	ZINC000594444483	398804163	/nfs/dbraw/zinc/80/41/63/398804163.db2.gz	NMYGLCYDVWJRNP-CVEARBPZSA-N	0	3	317.458	2.714	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc2O1	ZINC000594445062	398804225	/nfs/dbraw/zinc/80/42/25/398804225.db2.gz	OMHVWFCFZOXHCU-HUUCEWRRSA-N	0	3	315.417	2.816	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594443432	398804273	/nfs/dbraw/zinc/80/42/73/398804273.db2.gz	HMOYFCCIWJXYEL-CABCVRRESA-N	0	3	309.360	2.943	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594443433	398803816	/nfs/dbraw/zinc/80/38/16/398803816.db2.gz	HMOYFCCIWJXYEL-GJZGRUSLSA-N	0	3	309.360	2.943	20	30		DFEDHN
CCCOc1cc(F)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445317	398804959	/nfs/dbraw/zinc/80/49/59/398804959.db2.gz	CZKOHKILNQLFFE-ZDUSSCGKSA-N	0	3	307.369	2.964	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1cccc2ccsc21	ZINC000594453177	398805828	/nfs/dbraw/zinc/80/58/28/398805828.db2.gz	LHWSNRMZUGIHKA-AWEZNQCLSA-N	0	3	301.415	2.929	20	30		DFEDHN
C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)[C@@H](N)c1ccccc1	ZINC000594453572	398805804	/nfs/dbraw/zinc/80/58/04/398805804.db2.gz	ZBPULGRJBAAVSQ-FZKQIMNGSA-N	0	3	305.381	2.737	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@](C)(C#N)C1	ZINC000598413411	398808931	/nfs/dbraw/zinc/80/89/31/398808931.db2.gz	RIRLHXCXZBPLQX-GOSISDBHSA-N	0	3	311.385	2.870	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594506006	398812004	/nfs/dbraw/zinc/81/20/04/398812004.db2.gz	IMOVDRXHJFIBHQ-IAGOWNOFSA-N	0	3	318.461	2.735	20	30		DFEDHN
CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594506007	398812160	/nfs/dbraw/zinc/81/21/60/398812160.db2.gz	IMOVDRXHJFIBHQ-IRXDYDNUSA-N	0	3	318.461	2.735	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(CC2CC2)C1	ZINC000126067112	398810775	/nfs/dbraw/zinc/81/07/75/398810775.db2.gz	GHJRBXUROPHFRI-HNNXBMFYSA-N	0	3	319.474	2.930	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCOC[C@@H]2CCCO2)cc1	ZINC000594499219	398810827	/nfs/dbraw/zinc/81/08/27/398810827.db2.gz	BLWGMRHXCXNGPU-KRWDZBQOSA-N	0	3	302.418	2.773	20	30		DFEDHN
Cc1nn(-c2ccc(C)cc2)cc1CNC1CCN(CC#N)CC1	ZINC000594501283	398810852	/nfs/dbraw/zinc/81/08/52/398810852.db2.gz	YKBDCBQOUHIYJA-UHFFFAOYSA-N	0	3	323.444	2.567	20	30		DFEDHN
CCC[C@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000594570235	398822816	/nfs/dbraw/zinc/82/28/16/398822816.db2.gz	IOMFJWGZOGTLSM-KRWDZBQOSA-N	0	3	321.428	2.839	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)[C@H]1OC	ZINC000594612608	398832997	/nfs/dbraw/zinc/83/29/97/398832997.db2.gz	PEABNLSOUMDCNM-BRWVUGGUSA-N	0	3	302.418	2.770	20	30		DFEDHN
CC1CCC(N(CC(=O)N[C@@](C)(C#N)C2CC2)C2CC2)CC1	ZINC000052103966	398832321	/nfs/dbraw/zinc/83/23/21/398832321.db2.gz	KXSRFWBNHAULOU-RWKZGTHUSA-N	0	3	303.450	2.838	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1	ZINC000076084976	398838258	/nfs/dbraw/zinc/83/82/58/398838258.db2.gz	RPWHHWPPZBXKCL-UHFFFAOYSA-N	0	3	321.384	2.502	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(OCc2ccccc2)CC1	ZINC000598585142	398835972	/nfs/dbraw/zinc/83/59/72/398835972.db2.gz	UHBQRDWQXGICQB-KRWDZBQOSA-N	0	3	316.445	2.968	20	30		DFEDHN
N#Cc1csc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000152510413	283327100	/nfs/dbraw/zinc/32/71/00/283327100.db2.gz	YGTHJDSEYLTVNH-OAHLLOKOSA-N	0	3	317.458	2.891	20	30		DFEDHN
CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1OCCc2ccccc21	ZINC000598589298	398836954	/nfs/dbraw/zinc/83/69/54/398836954.db2.gz	HVPMWVCKXWIQDQ-DOTOQJQBSA-N	0	3	302.418	2.533	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000598594045	398837672	/nfs/dbraw/zinc/83/76/72/398837672.db2.gz	FMPRTTILTIQUPR-INIZCTEOSA-N	0	3	317.389	2.860	20	30		DFEDHN
CN(c1ccccc1)C1CCN(C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598595069	398837748	/nfs/dbraw/zinc/83/77/48/398837748.db2.gz	MWHXXKZNRVVQHY-GOSISDBHSA-N	0	3	315.461	2.888	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1[N+](=O)[O-]	ZINC000598601364	398839157	/nfs/dbraw/zinc/83/91/57/398839157.db2.gz	JSKXMIAPVMAWDA-TZMCWYRMSA-N	0	3	305.378	2.855	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC[C@H](Oc2cccc(F)c2)C1	ZINC000598604748	398840417	/nfs/dbraw/zinc/84/04/17/398840417.db2.gz	VQJHOEQTPDXQQT-HOCLYGCPSA-N	0	3	306.381	2.580	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000598604746	398840806	/nfs/dbraw/zinc/84/08/06/398840806.db2.gz	VQJHOEQTPDXQQT-GDBMZVCRSA-N	0	3	306.381	2.580	20	30		DFEDHN
CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1	ZINC000598601346	398839109	/nfs/dbraw/zinc/83/91/09/398839109.db2.gz	JKAJMWFCZWZKIG-CABCVRRESA-N	0	3	305.378	2.936	20	30		DFEDHN
Cc1ncccc1OC[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598623057	398842776	/nfs/dbraw/zinc/84/27/76/398842776.db2.gz	UKOALURITVWDQP-CVEARBPZSA-N	0	3	317.433	2.534	20	30		DFEDHN
C[C@H]1CN(c2cccc(F)c2)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598616436	398841790	/nfs/dbraw/zinc/84/17/90/398841790.db2.gz	AORDBFINEHBMNP-WMLDXEAASA-N	0	3	319.424	2.637	20	30		DFEDHN
CC(C)(C)OC(=O)C1(C)CCN(C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598626557	398843435	/nfs/dbraw/zinc/84/34/35/398843435.db2.gz	XYXSXLWTULIRFP-AWEZNQCLSA-N	0	3	324.465	2.731	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCCc1ccccc1	ZINC000052802609	398851168	/nfs/dbraw/zinc/85/11/68/398851168.db2.gz	MKTQEBVTQWLZDE-VQIMIIECSA-N	0	3	315.461	2.994	20	30		DFEDHN
C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(C#N)cc1	ZINC000594733257	398851270	/nfs/dbraw/zinc/85/12/70/398851270.db2.gz	ZZZPESYXFYJYAK-CQSZACIVSA-N	0	3	320.458	2.956	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1csc(Br)c1	ZINC000598700420	398857845	/nfs/dbraw/zinc/85/78/45/398857845.db2.gz	NIFJFBSWWXAFIX-SNVBAGLBSA-N	0	3	317.252	2.901	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNC[C@H](c1ccco1)N1CCCCC1	ZINC000598703116	398858251	/nfs/dbraw/zinc/85/82/51/398858251.db2.gz	CKENYWDUPWHZGO-JKSUJKDBSA-N	0	3	319.449	2.697	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccccc1OCC1CC1	ZINC000598721902	398861765	/nfs/dbraw/zinc/86/17/65/398861765.db2.gz	XTPNFQOEJPPMEZ-INIZCTEOSA-N	0	3	302.418	2.866	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2cc(F)ccc21	ZINC000598725619	398862649	/nfs/dbraw/zinc/86/26/49/398862649.db2.gz	XOATVDWOWLWWFW-HIFRSBDPSA-N	0	3	306.381	2.930	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)c2ccc(OC)cc2)CC1	ZINC000180479307	199163676	/nfs/dbraw/zinc/16/36/76/199163676.db2.gz	RXVKYZKCFPFHDB-SFHVURJKSA-N	0	3	316.445	2.955	20	30		DFEDHN
CC(C)[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000053142995	398863646	/nfs/dbraw/zinc/86/36/46/398863646.db2.gz	FDRMYENFDFWTMI-SFHVURJKSA-N	0	3	312.417	2.629	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cc(F)ccc1OC(F)F	ZINC000598730665	398863790	/nfs/dbraw/zinc/86/37/90/398863790.db2.gz	YKWVOYCLQODFGC-GFCCVEGCSA-N	0	3	316.323	2.817	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2ccccc2-n2ccnc21	ZINC000598730462	398863934	/nfs/dbraw/zinc/86/39/34/398863934.db2.gz	VZVVBFGUWOVMRS-HOTGVXAUSA-N	0	3	324.428	2.750	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598718362	398860387	/nfs/dbraw/zinc/86/03/87/398860387.db2.gz	AHCGKKBMKZERTF-DZGCQCFKSA-N	0	3	318.465	2.906	20	30		DFEDHN
CCCC(=O)Nc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1	ZINC000598715440	398860465	/nfs/dbraw/zinc/86/04/65/398860465.db2.gz	QLXBDZVMEGTHQG-MRXNPFEDSA-N	0	3	317.433	2.816	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598718365	398860519	/nfs/dbraw/zinc/86/05/19/398860519.db2.gz	AHCGKKBMKZERTF-ZFWWWQNUSA-N	0	3	318.465	2.906	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccccc1N1CCCC1	ZINC000598721475	398861748	/nfs/dbraw/zinc/86/17/48/398861748.db2.gz	WAFATPBRDRSBKT-INIZCTEOSA-N	0	3	301.434	2.677	20	30		DFEDHN
CCC[C@H](C)C(=O)NCCNCc1ccc(C2(C#N)CC2)cc1	ZINC000594943547	398878510	/nfs/dbraw/zinc/87/85/10/398878510.db2.gz	LBXVSNABPVLMTO-HNNXBMFYSA-N	0	3	313.445	2.884	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(-n2cccn2)cc1	ZINC000180841139	199216826	/nfs/dbraw/zinc/21/68/26/199216826.db2.gz	YRSBTOJGLZXEGK-INIZCTEOSA-N	0	3	324.428	2.724	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(Cn3ccnn3)CC2)c1	ZINC000180819829	199213317	/nfs/dbraw/zinc/21/33/17/199213317.db2.gz	CTKNDDFHDSCWGF-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@H]1CCc1ccccc1	ZINC000077194313	398886891	/nfs/dbraw/zinc/88/68/91/398886891.db2.gz	GDRCTAJCFQXBJV-GOSISDBHSA-N	0	3	313.445	2.846	20	30		DFEDHN
COc1cc(CNC[C@@H]2CCN2Cc2ccccc2)ccc1C#N	ZINC000594997780	398888550	/nfs/dbraw/zinc/88/85/50/398888550.db2.gz	CKSIGWOCEPYAKN-IBGZPJMESA-N	0	3	321.424	2.931	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(-c3nc(C)no3)ccn2)CC1	ZINC000077218271	398889714	/nfs/dbraw/zinc/88/97/14/398889714.db2.gz	QLAORPJLLPFBLZ-UHFFFAOYSA-N	0	3	313.405	2.892	20	30		DFEDHN
C=CCN1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000595010287	398890713	/nfs/dbraw/zinc/89/07/13/398890713.db2.gz	GEHNVQMCWJADNE-ZDUSSCGKSA-N	0	3	319.405	2.904	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000142922310	398900203	/nfs/dbraw/zinc/90/02/03/398900203.db2.gz	OBJCUXFQFXIKAJ-AWEZNQCLSA-N	0	3	308.447	2.594	20	30		DFEDHN
COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CCOCC1	ZINC000595072350	398901869	/nfs/dbraw/zinc/90/18/69/398901869.db2.gz	RZGNNFMBEPXJBC-YVEFUNNKSA-N	0	3	306.381	2.790	20	30		DFEDHN
COC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CCOCC1	ZINC000595072348	398902192	/nfs/dbraw/zinc/90/21/92/398902192.db2.gz	RZGNNFMBEPXJBC-SJCJKPOMSA-N	0	3	306.381	2.790	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@@H]2CCO[C@H]2c2cc[nH]n2)cc1	ZINC000598984297	398902971	/nfs/dbraw/zinc/90/29/71/398902971.db2.gz	LAXZQIHRRFUZLZ-NVXWUHKLSA-N	0	3	310.401	2.831	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C#N)c(F)c1	ZINC000595102131	398905336	/nfs/dbraw/zinc/90/53/36/398905336.db2.gz	KBRYQXVYZAJVFU-ACJLOTCBSA-N	0	3	320.408	2.916	20	30		DFEDHN
N#CCc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1	ZINC000595251706	398913052	/nfs/dbraw/zinc/91/30/52/398913052.db2.gz	WGDZUQHMEUDLIQ-GOSISDBHSA-N	0	3	305.381	2.603	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc2c1ccn2C(F)F	ZINC000595257865	398913352	/nfs/dbraw/zinc/91/33/52/398913352.db2.gz	ZYNQOCLIMWIDEN-NSHDSACASA-N	0	3	306.316	2.996	20	30		DFEDHN
CO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCOC1	ZINC000595296474	398917823	/nfs/dbraw/zinc/91/78/23/398917823.db2.gz	DRTQTTRMSQHMGL-FUHWJXTLSA-N	0	3	300.402	2.574	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)C1CCC1	ZINC000595296829	398917877	/nfs/dbraw/zinc/91/78/77/398917877.db2.gz	LPSQJHAELPVKRR-GOSISDBHSA-N	0	3	302.418	2.822	20	30		DFEDHN
N#Cc1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1	ZINC000595289127	398916665	/nfs/dbraw/zinc/91/66/65/398916665.db2.gz	OWJZERLMUWKSBB-UHFFFAOYSA-N	0	3	319.452	2.961	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(C[C@@H]3CCCCO3)CC2)cc1	ZINC000055172013	398922075	/nfs/dbraw/zinc/92/20/75/398922075.db2.gz	DWSFDTHMHBNJOX-IBGZPJMESA-N	0	3	313.445	2.635	20	30		DFEDHN
CC(C)(C)C(=O)N[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000595318781	398922088	/nfs/dbraw/zinc/92/20/88/398922088.db2.gz	WJQHYARMHJURNF-QGZVFWFLSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H]1CC[C@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1	ZINC000188576277	200269823	/nfs/dbraw/zinc/26/98/23/200269823.db2.gz	WGTLVUOJXRXDJJ-KBXCAEBGSA-N	0	3	300.402	2.969	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC(F)(F)F	ZINC000188850778	200312522	/nfs/dbraw/zinc/31/25/22/200312522.db2.gz	RDXLTOCLGMSKGC-CYBMUJFWSA-N	0	3	303.324	2.997	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC([C@H]2CCCO2)CC1	ZINC000189216471	200365667	/nfs/dbraw/zinc/36/56/67/200365667.db2.gz	WCWBVVGRXTUZDH-QGZVFWFLSA-N	0	3	300.402	2.958	20	30		DFEDHN
CCC[C@@H]1CN(CCc2ccc(C#N)cc2)CCN1CCOC	ZINC000595405581	398932797	/nfs/dbraw/zinc/93/27/97/398932797.db2.gz	YIPQMVYQQRQCTH-LJQANCHMSA-N	0	3	315.461	2.533	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCN1C1CCCC1)C2	ZINC000599204105	398939593	/nfs/dbraw/zinc/93/95/93/398939593.db2.gz	RKMXYXAZQRGPPF-GOSISDBHSA-N	0	3	324.428	2.600	20	30		DFEDHN
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1	ZINC000595460970	398942874	/nfs/dbraw/zinc/94/28/74/398942874.db2.gz	IYZKGMRXSTVNGL-CZUORRHYSA-N	0	3	314.433	2.791	20	30		DFEDHN
COc1ccccc1CN(C[C@H](O)CC1(C#N)CC1)C1CC1	ZINC000599263697	398944096	/nfs/dbraw/zinc/94/40/96/398944096.db2.gz	INNMBIZVYKXFHJ-MRXNPFEDSA-N	0	3	300.402	2.714	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccsc2)CCOCC1	ZINC000599266142	398944911	/nfs/dbraw/zinc/94/49/11/398944911.db2.gz	ZOHRWLKTNOKHCK-HZPDHXFCSA-N	0	3	320.458	2.956	20	30		DFEDHN
CCN(Cc1ccc(OC)cc1OC)C[C@@H](O)CC1(C#N)CC1	ZINC000599274250	398946673	/nfs/dbraw/zinc/94/66/73/398946673.db2.gz	ORDYBYJOOBMNEL-HNNXBMFYSA-N	0	3	318.417	2.580	20	30		DFEDHN
COC(=O)CCCCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000599285600	398948253	/nfs/dbraw/zinc/94/82/53/398948253.db2.gz	WSVRNPWOYPKQQS-UHFFFAOYSA-N	0	3	316.401	2.745	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)o1	ZINC000599294273	398948872	/nfs/dbraw/zinc/94/88/72/398948872.db2.gz	DVWGLPKXAPUUMS-CVEARBPZSA-N	0	3	318.417	2.796	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCC[C@H]2c2ccco2)CCOCC1	ZINC000599294887	398949823	/nfs/dbraw/zinc/94/98/23/398949823.db2.gz	SOPQCPYRRYVWPZ-CVEARBPZSA-N	0	3	318.417	2.878	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000595503016	398951048	/nfs/dbraw/zinc/95/10/48/398951048.db2.gz	YULOUUBSLSVIEM-OAGGEKHMSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000595503018	398951132	/nfs/dbraw/zinc/95/11/32/398951132.db2.gz	YULOUUBSLSVIEM-XHSDSOJGSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H](CC#N)C1	ZINC000595507966	398953015	/nfs/dbraw/zinc/95/30/15/398953015.db2.gz	SIQAMEPEFGZGIF-HZPDHXFCSA-N	0	3	306.454	2.586	20	30		DFEDHN
Cc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1C#N	ZINC000599337892	398956200	/nfs/dbraw/zinc/95/62/00/398956200.db2.gz	KZPKTYISOQSSAS-KRWDZBQOSA-N	0	3	314.429	2.884	20	30		DFEDHN
C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000271916630	209320716	/nfs/dbraw/zinc/32/07/16/209320716.db2.gz	CMDIKZAXORCTDH-NSHDSACASA-N	0	3	307.369	2.873	20	30		DFEDHN
COc1cc(C)c([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1OC	ZINC000599346760	398957496	/nfs/dbraw/zinc/95/74/96/398957496.db2.gz	DOOSJXHOOLSJEF-ZIAGYGMSSA-N	0	3	318.417	2.718	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(C#N)c1	ZINC000599349738	398958741	/nfs/dbraw/zinc/95/87/41/398958741.db2.gz	RKXYYUUKHBTXOO-KBXCAEBGSA-N	0	3	321.380	2.520	20	30		DFEDHN
Cc1cc([C@@H](C)NC[C@H](O)CC2(C#N)CCOCC2)ccc1F	ZINC000599352598	398958889	/nfs/dbraw/zinc/95/88/89/398958889.db2.gz	DEYMSWZONBTBBO-GDBMZVCRSA-N	0	3	320.408	2.856	20	30		DFEDHN
N#CC1(C[C@H](O)CNC2(c3ccc(F)cc3F)CCC2)CC1	ZINC000599357196	398961977	/nfs/dbraw/zinc/96/19/77/398961977.db2.gz	SNYXFHRNXIVRGF-ZDUSSCGKSA-N	0	3	306.356	2.988	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595546898	398964082	/nfs/dbraw/zinc/96/40/82/398964082.db2.gz	PLHHMIWFNSZNGJ-HZPDHXFCSA-N	0	3	320.481	2.880	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000595550325	398967519	/nfs/dbraw/zinc/96/75/19/398967519.db2.gz	PGUARRXSEHGDSN-OAGGEKHMSA-N	0	3	301.434	2.660	20	30		DFEDHN
CC(=O)Nc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000193430121	201050230	/nfs/dbraw/zinc/05/02/30/201050230.db2.gz	WHNJCOIDZXZUOT-BFUOFWGJSA-N	0	3	323.396	2.901	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)cc1	ZINC000056502909	398974488	/nfs/dbraw/zinc/97/44/88/398974488.db2.gz	ICOOFPJJWOFRAY-ZIAGYGMSSA-N	0	3	300.406	2.800	20	30		DFEDHN
COCCN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1	ZINC000613416884	398976118	/nfs/dbraw/zinc/97/61/18/398976118.db2.gz	JJVZSEFXMOKUII-UHFFFAOYSA-N	0	3	316.449	2.773	20	30		DFEDHN
Cc1ccc(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1C#N	ZINC000599427575	398979628	/nfs/dbraw/zinc/97/96/28/398979628.db2.gz	CSWYPTRUNZIFHE-KSSFIOAISA-N	0	3	307.397	2.614	20	30		DFEDHN
C#CCN(CC)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000056578611	398981713	/nfs/dbraw/zinc/98/17/13/398981713.db2.gz	WGOKTZVVYDVZJY-UHFFFAOYSA-N	0	3	313.445	2.837	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1C#N	ZINC000599435785	398982114	/nfs/dbraw/zinc/98/21/14/398982114.db2.gz	AXHCIKBQQPOCFH-SFHVURJKSA-N	0	3	311.429	2.844	20	30		DFEDHN
C[C@H]1CN(C[C@H](O)CC2(C#N)CC2)CCc2ccc(F)cc21	ZINC000599453545	398986304	/nfs/dbraw/zinc/98/63/04/398986304.db2.gz	UOGRSOOBBFPZNS-XJKSGUPXSA-N	0	3	302.393	2.842	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H](CO)Cc1ccccc1	ZINC000595591440	398988284	/nfs/dbraw/zinc/98/82/84/398988284.db2.gz	HPZWNHVLIYLPLW-GOSISDBHSA-N	0	3	310.397	2.602	20	30		DFEDHN
COc1cc(CNCC[C@@](C)(O)c2ccccc2)ccc1C#N	ZINC000281560495	216384568	/nfs/dbraw/zinc/38/45/68/216384568.db2.gz	BUFQHMYSFYYSKO-LJQANCHMSA-N	0	3	310.397	2.954	20	30		DFEDHN
C#CCN(CCC(=O)Nc1cc(C)on1)[C@H]1CCc2ccccc21	ZINC000164907531	398990353	/nfs/dbraw/zinc/99/03/53/398990353.db2.gz	XEUDFYKLOPCBDS-KRWDZBQOSA-N	0	3	323.396	2.934	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1C	ZINC000595609991	398996866	/nfs/dbraw/zinc/99/68/66/398996866.db2.gz	RINYMILMOMNAFZ-QZTJIDSGSA-N	0	3	316.445	2.977	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)C1CCN(C2CC2)CC1	ZINC000195379812	201385440	/nfs/dbraw/zinc/38/54/40/201385440.db2.gz	VYZCWYHTVCXQGL-UHFFFAOYSA-N	0	3	313.401	2.770	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000595610470	398999722	/nfs/dbraw/zinc/99/97/22/398999722.db2.gz	ZGOYLKNZAOLVGY-WMLDXEAASA-N	0	3	322.836	2.843	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000599526771	399002693	/nfs/dbraw/zinc/00/26/93/399002693.db2.gz	RQRYARGOOSNZOA-OAHLLOKOSA-N	0	3	315.417	2.850	20	30		DFEDHN
CSc1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000595623267	399006428	/nfs/dbraw/zinc/00/64/28/399006428.db2.gz	LNTOUEUTXCBILE-HUUCEWRRSA-N	0	3	320.458	2.774	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(Cl)cc2C#N)C1	ZINC000595630665	399010305	/nfs/dbraw/zinc/01/03/05/399010305.db2.gz	AGRSQVAPYSHLMY-JCURWCKSSA-N	0	3	322.836	2.867	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCCC2(CCCC2)CC1)C1CC1	ZINC000595643278	399015893	/nfs/dbraw/zinc/01/58/93/399015893.db2.gz	WWZGHJAGRROPJY-KRWDZBQOSA-N	0	3	303.450	2.841	20	30		DFEDHN
CS[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1N1CCCC1	ZINC000275408870	212316695	/nfs/dbraw/zinc/31/66/95/212316695.db2.gz	FWHOWOOKGOHLHD-CVEARBPZSA-N	0	3	316.474	2.586	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271798408	209225912	/nfs/dbraw/zinc/22/59/12/209225912.db2.gz	LXJYFUNPIHRXFF-CJNGLKHVSA-N	0	3	304.390	2.621	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271798414	209225260	/nfs/dbraw/zinc/22/52/60/209225260.db2.gz	LXJYFUNPIHRXFF-XJKSGUPXSA-N	0	3	304.390	2.621	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(-c3cnco3)c2)CC1	ZINC000057177879	399021322	/nfs/dbraw/zinc/02/13/22/399021322.db2.gz	FVIHXQHXUXLBDS-UHFFFAOYSA-N	0	3	309.369	2.625	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)NCC1(C#N)CCCCC1	ZINC000595661470	399024847	/nfs/dbraw/zinc/02/48/47/399024847.db2.gz	CBPHZYBOBIVYFL-AWEZNQCLSA-N	0	3	306.454	2.632	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccccc1	ZINC000079224017	399027227	/nfs/dbraw/zinc/02/72/27/399027227.db2.gz	IHMGNUUMOPCXDV-NVXWUHKLSA-N	0	3	316.449	2.871	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1cccc(C)c1)C(C)C	ZINC000599627749	399033132	/nfs/dbraw/zinc/03/31/32/399033132.db2.gz	NMNSPVNJUYTJOW-GOEBONIOSA-N	0	3	317.433	2.682	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1	ZINC000599633510	399035775	/nfs/dbraw/zinc/03/57/75/399035775.db2.gz	RNGJSJCPEVGHCL-HYFFOGBASA-N	0	3	316.470	2.973	20	30		DFEDHN
C[C@@H](CN(C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1	ZINC000599632650	399035851	/nfs/dbraw/zinc/03/58/51/399035851.db2.gz	AKQAFXAUCVSABQ-KSSFIOAISA-N	0	3	305.466	2.943	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(Cc2cccc(O)c2)CC1	ZINC000091792529	193109517	/nfs/dbraw/zinc/10/95/17/193109517.db2.gz	CFIDTKPYWWEAHF-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000092040840	193145350	/nfs/dbraw/zinc/14/53/50/193145350.db2.gz	FTDUNLIAUXJPCI-IAGOWNOFSA-N	0	3	324.428	2.985	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NC3CC(C(F)F)C3)C2=O)cc1	ZINC000613621233	399041378	/nfs/dbraw/zinc/04/13/78/399041378.db2.gz	KAFVATVZXLWDND-PIMMBPRGSA-N	0	3	319.355	2.687	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2)CC1	ZINC000599668476	399053730	/nfs/dbraw/zinc/05/37/30/399053730.db2.gz	FWMDQCJULMGBBG-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
COc1ccc([C@@H]2CCN(C[C@H](O)CC3(C#N)CC3)C2)cc1F	ZINC000599674726	399056121	/nfs/dbraw/zinc/05/61/21/399056121.db2.gz	CBVCKKAHSDTNDN-HUUCEWRRSA-N	0	3	318.392	2.678	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C)[C@@H](CO)C2)cc(OC)c1O	ZINC000621737491	399057356	/nfs/dbraw/zinc/05/73/56/399057356.db2.gz	RGEJFMPROLAZPG-XJKSGUPXSA-N	0	3	305.418	2.580	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C)[C@H](CO)C2)cc(OC)c1O	ZINC000621737489	399057884	/nfs/dbraw/zinc/05/78/84/399057884.db2.gz	RGEJFMPROLAZPG-CJNGLKHVSA-N	0	3	305.418	2.580	20	30		DFEDHN
N#CCc1cccc2c1CCN(C[C@@H](O)Cc1ccc(F)cc1)C2	ZINC000599677749	399058955	/nfs/dbraw/zinc/05/89/55/399058955.db2.gz	KTUHLZAWGYUZDJ-IBGZPJMESA-N	0	3	324.399	2.853	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C(C)(C)C#N)cc1	ZINC000599691163	399066132	/nfs/dbraw/zinc/06/61/32/399066132.db2.gz	QWJUUIOVQJXWSY-SFHVURJKSA-N	0	3	313.445	2.978	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CNC2(c3cccc(C#N)c3)CC2)c1	ZINC000271777033	209206627	/nfs/dbraw/zinc/20/66/27/209206627.db2.gz	KXGQBOCROVMDDD-GOSISDBHSA-N	0	3	322.408	2.885	20	30		DFEDHN
COc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccn1	ZINC000595764175	399075111	/nfs/dbraw/zinc/07/51/11/399075111.db2.gz	GGRYLVHRSZAYIH-UHFFFAOYSA-N	0	3	323.396	2.757	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@H]2NCc2cccc(F)c2C#N)cn1	ZINC000595767222	399076866	/nfs/dbraw/zinc/07/68/66/399076866.db2.gz	ANOXLDGYRUETGD-RDTXWAMCSA-N	0	3	312.392	2.932	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)ccc2OC)CC1	ZINC000092102544	193159215	/nfs/dbraw/zinc/15/92/15/193159215.db2.gz	WKDGMPIXEFMCML-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
C#CC[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1	ZINC000271749351	209180994	/nfs/dbraw/zinc/18/09/94/209180994.db2.gz	XECRXJPHXXCYED-WOJBJXKFSA-N	0	3	309.409	2.918	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)COC(C)(C)C	ZINC000058397092	399081679	/nfs/dbraw/zinc/08/16/79/399081679.db2.gz	KGZBOFQUNIRINQ-KRWDZBQOSA-N	0	3	304.434	2.945	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCc2ccncc2)CC1	ZINC000058580569	399087521	/nfs/dbraw/zinc/08/75/21/399087521.db2.gz	GBFZNNUIGBNFJE-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(F)c(F)c1	ZINC000275165823	212164934	/nfs/dbraw/zinc/16/49/34/212164934.db2.gz	VRDFPBAJMLAKMJ-OAHLLOKOSA-N	0	3	311.376	2.785	20	30		DFEDHN
CN(C)C(=O)N(C)[C@@H]1CCN(CCC2(C#N)CCCCC2)C1	ZINC000595823133	399099719	/nfs/dbraw/zinc/09/97/19/399099719.db2.gz	HAJOTNZCXHRFSG-OAHLLOKOSA-N	0	3	306.454	2.538	20	30		DFEDHN
N#CC1(CCCN2CCC(c3ccon3)CC2)CCOCC1	ZINC000595829651	399102279	/nfs/dbraw/zinc/10/22/79/399102279.db2.gz	XREVJMRSDGUDLQ-UHFFFAOYSA-N	0	3	303.406	2.955	20	30		DFEDHN
C[C@@H](O)[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000183154843	335012465	/nfs/dbraw/zinc/01/24/65/335012465.db2.gz	BTFLWBXKDCNLEJ-TZMCWYRMSA-N	0	3	313.319	2.639	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H](C3CCCCC3)C2)CCC1	ZINC000595875851	399119052	/nfs/dbraw/zinc/11/90/52/399119052.db2.gz	BPVDYDARVRSJKZ-INIZCTEOSA-N	0	3	303.450	2.841	20	30		DFEDHN
CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCN(C)CC1	ZINC000599986761	399119248	/nfs/dbraw/zinc/11/92/48/399119248.db2.gz	ZHBNXULAWWWVPF-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(Cl)s2)CCOCC1	ZINC000600715297	399121705	/nfs/dbraw/zinc/12/17/05/399121705.db2.gz	BDOBGJOZVUSNMC-NSHDSACASA-N	0	3	314.838	2.562	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2Cl)CCOCC1	ZINC000600714457	399121850	/nfs/dbraw/zinc/12/18/50/399121850.db2.gz	RYLGPUDUKRZVHL-CQSZACIVSA-N	0	3	308.809	2.501	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@H]2NC[C@@H](O)CC1(C#N)CC1	ZINC000600721477	399124084	/nfs/dbraw/zinc/12/40/84/399124084.db2.gz	MQLXFRKTWFJJAD-DZGCQCFKSA-N	0	3	316.449	2.660	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@H]2NC[C@H](O)CC1(C#N)CC1	ZINC000600721487	399124043	/nfs/dbraw/zinc/12/40/43/399124043.db2.gz	MQLXFRKTWFJJAD-UKRRQHHQSA-N	0	3	316.449	2.660	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cc(F)ccc3C2)CC1	ZINC000093797294	193309021	/nfs/dbraw/zinc/30/90/21/193309021.db2.gz	QNZMIGUONSTDEZ-UHFFFAOYSA-N	0	3	317.408	2.544	20	30		DFEDHN
CC1(C)C[C@H](NC[C@H](O)CC2(C#N)CC2)c2ccccc2O1	ZINC000600729123	399127428	/nfs/dbraw/zinc/12/74/28/399127428.db2.gz	DIZNFIDCNSFTND-HIFRSBDPSA-N	0	3	300.402	2.933	20	30		DFEDHN
CC1(C)C[C@H](NC[C@@H](O)CC2(C#N)CC2)c2ccccc2O1	ZINC000600729126	399127754	/nfs/dbraw/zinc/12/77/54/399127754.db2.gz	DIZNFIDCNSFTND-ZFWWWQNUSA-N	0	3	300.402	2.933	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3c(F)cccc32)CC1	ZINC000600730571	399127825	/nfs/dbraw/zinc/12/78/25/399127825.db2.gz	HXUIJLBCDWPDQE-IUODEOHRSA-N	0	3	304.365	2.684	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093871754	193321349	/nfs/dbraw/zinc/32/13/49/193321349.db2.gz	WMJCDJBUOIFWTM-CRAIPNDOSA-N	0	3	312.417	2.841	20	30		DFEDHN
C=CCC[C@H](NCC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1	ZINC000180039234	399132188	/nfs/dbraw/zinc/13/21/88/399132188.db2.gz	FEDULCCENPLCBS-BQFCYCMXSA-N	0	3	316.445	2.919	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cccc(OC3CC3)c2F)CC1	ZINC000600750486	399134938	/nfs/dbraw/zinc/13/49/38/399134938.db2.gz	WYHSVYLVQLCLBM-CYBMUJFWSA-N	0	3	304.365	2.511	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2csc(C(F)(F)F)c2)CC1	ZINC000600760532	399137860	/nfs/dbraw/zinc/13/78/60/399137860.db2.gz	VIXXPFDCVLBSBP-SNVBAGLBSA-N	0	3	304.337	2.911	20	30		DFEDHN
C=CCOCCCNC(=O)c1cccc(CN2CCCC2)c1	ZINC000618520425	399143695	/nfs/dbraw/zinc/14/36/95/399143695.db2.gz	DNICVPRFSBTHAW-UHFFFAOYSA-N	0	3	302.418	2.605	20	30		DFEDHN
C[C@@](Cc1ccccc1)(NC(=O)[C@@H](N)CCCCC#N)C1CC1	ZINC000595977077	399144109	/nfs/dbraw/zinc/14/41/09/399144109.db2.gz	YWYAUQMLBSMGGF-HKUYNNGSSA-N	0	3	313.445	2.925	20	30		DFEDHN
N#Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)nc1	ZINC000264631713	204041056	/nfs/dbraw/zinc/04/10/56/204041056.db2.gz	CHURYVDIZIOFFI-QGZVFWFLSA-N	0	3	320.396	2.804	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000264616085	204029620	/nfs/dbraw/zinc/02/96/20/204029620.db2.gz	QRHYIJJCBZTYRW-MRXNPFEDSA-N	0	3	314.429	2.952	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000264616084	204029985	/nfs/dbraw/zinc/02/99/85/204029985.db2.gz	QRHYIJJCBZTYRW-INIZCTEOSA-N	0	3	314.429	2.952	20	30		DFEDHN
CN(Cc1cccs1)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000060943252	399147104	/nfs/dbraw/zinc/14/71/04/399147104.db2.gz	JOISPHWMDKKHDT-HNNXBMFYSA-N	0	3	316.426	2.686	20	30		DFEDHN
C=CCSCCN[C@@H](CN1CCOCC1)c1ccccc1C	ZINC000183748029	399155255	/nfs/dbraw/zinc/15/52/55/399155255.db2.gz	DJTVDOYKKKXEGG-SFHVURJKSA-N	0	3	320.502	2.877	20	30		DFEDHN
Cc1cc(N2CCN(CC(C)C)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596052369	399156709	/nfs/dbraw/zinc/15/67/09/399156709.db2.gz	DLUIMCTXRDSTSN-UHFFFAOYSA-N	0	3	302.378	2.553	20	30		DFEDHN
Cc1ccsc1[C@H](Cc1ccccc1)NCC(=O)NCC#N	ZINC000184953748	399158738	/nfs/dbraw/zinc/15/87/38/399158738.db2.gz	SGURQWVJCYYIPD-HNNXBMFYSA-N	0	3	313.426	2.570	20	30		DFEDHN
CN1CCN(Cc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1	ZINC000618572245	399163823	/nfs/dbraw/zinc/16/38/23/399163823.db2.gz	XZOSLYWTFKYUFF-MJGOQNOKSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1	ZINC000080616692	399164017	/nfs/dbraw/zinc/16/40/17/399164017.db2.gz	VRDYCZFKRKOZIA-UHFFFAOYSA-N	0	3	305.378	2.804	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N[C@@H](C)CCC	ZINC000284928096	335015265	/nfs/dbraw/zinc/01/52/65/335015265.db2.gz	AKBCCJAFDMAVNC-XYJFISCASA-N	0	3	300.446	2.904	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1	ZINC000288232508	220031821	/nfs/dbraw/zinc/03/18/21/220031821.db2.gz	NNXJDCHOYHDQRI-PBHICJAKSA-N	0	3	307.401	2.732	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1CCN(C2CC2)C1	ZINC000596086836	399169010	/nfs/dbraw/zinc/16/90/10/399169010.db2.gz	BQBHKLRDDSRBOJ-AWEZNQCLSA-N	0	3	310.376	2.625	20	30		DFEDHN
COC[C@@](C)(CC(=O)OC)NCc1ccc(C(C)(C)C#N)cc1	ZINC000614175925	399170148	/nfs/dbraw/zinc/17/01/48/399170148.db2.gz	QOCPHIDSSNNUHK-GOSISDBHSA-N	0	3	318.417	2.546	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000596093473	399170708	/nfs/dbraw/zinc/17/07/08/399170708.db2.gz	URSXNWJBPKOKHW-INIZCTEOSA-N	0	3	309.417	2.616	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCc2ccc(Cl)cc2C#N)[C@@H](C)C1	ZINC000614204483	399174938	/nfs/dbraw/zinc/17/49/38/399174938.db2.gz	RLHCHZGRQDYKEF-MEDUHNTESA-N	0	3	305.809	2.558	20	30		DFEDHN
Cn1cc(CN[C@@H]2CSC2(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000282679494	217170332	/nfs/dbraw/zinc/17/03/32/217170332.db2.gz	KGPYEOHSOXXTEK-OAHLLOKOSA-N	0	3	312.442	2.942	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)C(C)C	ZINC000596139404	399187902	/nfs/dbraw/zinc/18/79/02/399187902.db2.gz	TWSNZJJAROUMEG-WMZOPIPTSA-N	0	3	318.465	2.630	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)C(C)C	ZINC000596139402	399187969	/nfs/dbraw/zinc/18/79/69/399187969.db2.gz	TWSNZJJAROUMEG-FUHWJXTLSA-N	0	3	318.465	2.630	20	30		DFEDHN
C[C@H]1C[C@H](Nc2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596152176	399192228	/nfs/dbraw/zinc/19/22/28/399192228.db2.gz	IPQWJOCBFBHCGC-WMLDXEAASA-N	0	3	309.417	2.757	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)CCN1C	ZINC000266208002	205183552	/nfs/dbraw/zinc/18/35/52/205183552.db2.gz	FNIGJPUIVXLZOB-PWSUYJOCSA-N	0	3	312.339	2.891	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1c(C#N)cnn1C	ZINC000596155156	399194352	/nfs/dbraw/zinc/19/43/52/399194352.db2.gz	POXBCXFNPFHWTO-RHSMWYFYSA-N	0	3	309.417	2.614	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NCC(=O)NCc1ccc(C#N)cc1	ZINC000271668175	209112180	/nfs/dbraw/zinc/11/21/80/209112180.db2.gz	HODBCPQTERHODI-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000601009774	399201962	/nfs/dbraw/zinc/20/19/62/399201962.db2.gz	IKXVHYYKLQPMNF-AWEZNQCLSA-N	0	3	303.450	2.697	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	ZINC000282951163	217347474	/nfs/dbraw/zinc/34/74/74/217347474.db2.gz	JQMANZZZSPOYDK-SFHVURJKSA-N	0	3	320.396	2.954	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1	ZINC000081121171	399212275	/nfs/dbraw/zinc/21/22/75/399212275.db2.gz	IQGRXRQOPCJHJE-LJQANCHMSA-N	0	3	319.408	2.905	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@@H]3CCc4cc(C#N)ccc43)cc12	ZINC000618743112	399226441	/nfs/dbraw/zinc/22/64/41/399226441.db2.gz	XAQNOSTULDOYKW-GOSISDBHSA-N	0	3	317.396	2.926	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCOC2(CCOCC2)CC1	ZINC000614405694	399227969	/nfs/dbraw/zinc/22/79/69/399227969.db2.gz	COADZPXXLMWQOU-UHFFFAOYSA-N	0	3	300.402	2.638	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C(F)(F)F)nc(C)n2)CC1	ZINC000608085044	399232136	/nfs/dbraw/zinc/23/21/36/399232136.db2.gz	AUWITTITHLAYSS-UHFFFAOYSA-N	0	3	300.328	2.866	20	30		DFEDHN
CC(C)(F)CNCc1cn(CCC#N)nc1-c1ccncc1	ZINC000601137455	399239037	/nfs/dbraw/zinc/23/90/37/399239037.db2.gz	YHISNZUAEMGIOH-UHFFFAOYSA-N	0	3	301.369	2.696	20	30		DFEDHN
CN1CCC(n2cc(NCc3ccc(C#N)c(F)c3)cn2)CC1	ZINC000601149510	399241815	/nfs/dbraw/zinc/24/18/15/399241815.db2.gz	NGBOKIMVZKVPEO-UHFFFAOYSA-N	0	3	313.380	2.773	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000614523098	399243361	/nfs/dbraw/zinc/24/33/61/399243361.db2.gz	FULORGMZHCNRBQ-JKSUJKDBSA-N	0	3	317.820	2.910	20	30		DFEDHN
CCCN(CC(=O)N(CCC#N)CCC#N)CC1CCCCC1	ZINC000065589122	399247216	/nfs/dbraw/zinc/24/72/16/399247216.db2.gz	WSAMQYYPWYAZLU-UHFFFAOYSA-N	0	3	318.465	2.935	20	30		DFEDHN
Cc1cc(C#N)cc(N(CCN(C)C)Cc2ccsc2)n1	ZINC000601173858	399247765	/nfs/dbraw/zinc/24/77/65/399247765.db2.gz	KNETXHJAKJJUKU-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@@H](O)CN2CCCCC2)n1	ZINC000601179454	399249392	/nfs/dbraw/zinc/24/93/92/399249392.db2.gz	VSZSWRMCUDKPGU-OAHLLOKOSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=C(C)CN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267739601	206252343	/nfs/dbraw/zinc/25/23/43/206252343.db2.gz	OBPVRASEOMQTIX-CQSZACIVSA-N	0	3	309.479	2.934	20	30		DFEDHN
CCN(CC(=O)Nc1ccccc1OC)C[C@H](C)CCC#N	ZINC000618887014	399252389	/nfs/dbraw/zinc/25/23/89/399252389.db2.gz	FCYDRKHUCAGYCH-CQSZACIVSA-N	0	3	303.406	2.895	20	30		DFEDHN
C=CCC[C@@H](NC1CCN(C(=O)CCOC)CC1)c1ccco1	ZINC000286195522	335030427	/nfs/dbraw/zinc/03/04/27/335030427.db2.gz	RAEARUMDUPKVKJ-MRXNPFEDSA-N	0	3	320.433	2.904	20	30		DFEDHN
COc1ccc([C@H]2C[C@@H]2[C@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601317239	399276505	/nfs/dbraw/zinc/27/65/05/399276505.db2.gz	ZOWRKYUCPMGCNB-KFKAGJAMSA-N	0	3	313.445	2.718	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ncoc2-c2ccccc2)CC1	ZINC000601471146	399292592	/nfs/dbraw/zinc/29/25/92/399292592.db2.gz	PFBHVVRHLHTMTJ-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000615053428	399295610	/nfs/dbraw/zinc/29/56/10/399295610.db2.gz	HERQYDGABSTZJB-SFHVURJKSA-N	0	3	314.433	2.948	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC[C@](C)(C#N)C1	ZINC000615053427	399295878	/nfs/dbraw/zinc/29/58/78/399295878.db2.gz	HERQYDGABSTZJB-GOSISDBHSA-N	0	3	314.433	2.948	20	30		DFEDHN
CN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[C@H]1C#N	ZINC000601564764	399301575	/nfs/dbraw/zinc/30/15/75/399301575.db2.gz	FRNMHGJIEDGGGB-XHDPSFHLSA-N	0	3	316.380	2.627	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)CCN1Cc1ccccc1	ZINC000601583175	399303775	/nfs/dbraw/zinc/30/37/75/399303775.db2.gz	XMDKGNFGOHDRAR-WBVHZDCISA-N	0	3	323.440	2.850	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)C2(C#N)CC3(CC3)C2)CCN1Cc1ccccc1	ZINC000601583170	399303816	/nfs/dbraw/zinc/30/38/16/399303816.db2.gz	XMDKGNFGOHDRAR-DOTOQJQBSA-N	0	3	323.440	2.850	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCC1	ZINC000609231793	399309927	/nfs/dbraw/zinc/30/99/27/399309927.db2.gz	OBCZTCGFLBPIIW-KRWDZBQOSA-N	0	3	317.408	2.824	20	30		DFEDHN
Cc1nccn1[C@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000609260413	399311074	/nfs/dbraw/zinc/31/10/74/399311074.db2.gz	LXFGEVFVNKEYEA-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000609343101	399315098	/nfs/dbraw/zinc/31/50/98/399315098.db2.gz	OIRJJOIEMKXQJB-PBHICJAKSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000601687148	399320892	/nfs/dbraw/zinc/32/08/92/399320892.db2.gz	XSBVOLBKKIMYMO-ZWKOTPCHSA-N	0	3	322.412	2.647	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(c3ccccc3)C2)cc1	ZINC000601700704	399323880	/nfs/dbraw/zinc/32/38/80/399323880.db2.gz	LXGBLMNKYBBTBM-SFHVURJKSA-N	0	3	315.376	2.867	20	30		DFEDHN
CN(CCOC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619298481	399326476	/nfs/dbraw/zinc/32/64/76/399326476.db2.gz	OGHLKUFZUWZSCZ-MRXNPFEDSA-N	0	3	313.401	2.514	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)C(C)(C)CO1	ZINC000609671427	399329423	/nfs/dbraw/zinc/32/94/23/399329423.db2.gz	ADQYGEVKDDMRKI-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
N#Cc1ccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cc1	ZINC000609672888	399329588	/nfs/dbraw/zinc/32/95/88/399329588.db2.gz	VFZLIDKILCDFEL-UHFFFAOYSA-N	0	3	319.408	2.577	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2Cc3ccccc32)cc1	ZINC000619359191	399333263	/nfs/dbraw/zinc/33/32/63/399333263.db2.gz	FXSRIQZTOGOUEN-QZTJIDSGSA-N	0	3	315.376	2.697	20	30		DFEDHN
CC#CCCN1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000274110504	211365773	/nfs/dbraw/zinc/36/57/73/211365773.db2.gz	VWOIEVUQWKBUID-HNNXBMFYSA-N	0	3	321.490	2.772	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000609920174	399336341	/nfs/dbraw/zinc/33/63/41/399336341.db2.gz	QSHZZHITIQQESE-KBPBESRZSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1	ZINC000609921301	399336415	/nfs/dbraw/zinc/33/64/15/399336415.db2.gz	HKLNKOPHLMCBKR-GFCCVEGCSA-N	0	3	310.357	2.602	20	30		DFEDHN
C=CCCCc1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000274014859	211272459	/nfs/dbraw/zinc/27/24/59/211272459.db2.gz	SJRKJLAHTFJWQU-UHFFFAOYSA-N	0	3	302.378	2.581	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2NCCN1CCC(C)CC1	ZINC000610211225	399347018	/nfs/dbraw/zinc/34/70/18/399347018.db2.gz	FZISFNIITTUKSE-UHFFFAOYSA-N	0	3	308.429	2.981	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@@H]1C1CC1	ZINC000601958553	399368753	/nfs/dbraw/zinc/36/87/53/399368753.db2.gz	MVLJJOWYDFSXLL-AEFFLSMTSA-N	0	3	312.413	2.562	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CC2(CCC2)[C@@H]1C1CC1	ZINC000601958565	399369537	/nfs/dbraw/zinc/36/95/37/399369537.db2.gz	MVLJJOWYDFSXLL-WMZOPIPTSA-N	0	3	312.413	2.562	20	30		DFEDHN
C[C@](O)(C[C@@H](O)CN[C@@H](CCC#N)c1ccccc1)C1CC1	ZINC000601964195	399370074	/nfs/dbraw/zinc/37/00/74/399370074.db2.gz	HONYQCROJXEOHK-SQNIBIBYSA-N	0	3	302.418	2.533	20	30		DFEDHN
CN(C)CCOC1CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000610479270	399371468	/nfs/dbraw/zinc/37/14/68/399371468.db2.gz	SKZNGYJWGHHCIP-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
CC(C)CC(=O)N1CCC(NCc2cccc(F)c2C#N)CC1	ZINC000602005923	399381579	/nfs/dbraw/zinc/38/15/79/399381579.db2.gz	IBLYBOLJZJWHCH-UHFFFAOYSA-N	0	3	317.408	2.824	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@]12CCCO2	ZINC000273767223	211039880	/nfs/dbraw/zinc/03/98/80/211039880.db2.gz	YZWVWDMPVJKSAR-BVPBIZIASA-N	0	3	300.402	2.935	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1cnn(C2CCCC2)c1	ZINC000619723734	399383372	/nfs/dbraw/zinc/38/33/72/399383372.db2.gz	WYEZPNFKHCLAAL-AWEZNQCLSA-N	0	3	301.438	2.637	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC[C@H](O)C2CC2)cc1OC	ZINC000623418563	399384942	/nfs/dbraw/zinc/38/49/42/399384942.db2.gz	VNMFWCBMFONMIK-AWEZNQCLSA-N	0	3	311.809	2.774	20	30		DFEDHN
CC[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N(CC)CC	ZINC000619765983	399389164	/nfs/dbraw/zinc/38/91/64/399389164.db2.gz	WYGQDDCKRQRDHW-OAHLLOKOSA-N	0	3	307.825	2.948	20	30		DFEDHN
CCN1C[C@H](C)[C@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1	ZINC000610678109	399391923	/nfs/dbraw/zinc/39/19/23/399391923.db2.gz	BZVBHFPPYFKDHK-IINYFYTJSA-N	0	3	316.355	2.559	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1	ZINC000110348651	194323721	/nfs/dbraw/zinc/32/37/21/194323721.db2.gz	RKUUQSHVHHAIKT-HNNXBMFYSA-N	0	3	307.397	2.809	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1	ZINC000110354601	194324975	/nfs/dbraw/zinc/32/49/75/194324975.db2.gz	GPSDUEPIBKUYFS-OAHLLOKOSA-N	0	3	307.397	2.809	20	30		DFEDHN
CC(C)CN(CCCCS(C)(=O)=O)Cc1ccc(C#N)cc1	ZINC000610734575	399399484	/nfs/dbraw/zinc/39/94/84/399399484.db2.gz	VHGCZJUHAJIXFC-UHFFFAOYSA-N	0	3	322.474	2.841	20	30		DFEDHN
COc1ccc(Cl)cc1[C@H](C)NC1CCN(CC#N)CC1	ZINC000610813406	399409376	/nfs/dbraw/zinc/40/93/76/399409376.db2.gz	GDLKJOYLHCZNBP-LBPRGKRZSA-N	0	3	307.825	2.987	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC2CC(CO)C2)cc1OC	ZINC000623575414	399419652	/nfs/dbraw/zinc/41/96/52/399419652.db2.gz	ZLVHOMPHTSKMST-UHFFFAOYSA-N	0	3	311.809	2.774	20	30		DFEDHN
C=C(C)COc1cc(CNCCNC(=O)C(C)C)ccc1OC	ZINC000060926995	184158045	/nfs/dbraw/zinc/15/80/45/184158045.db2.gz	MQPHQULZLWJJNE-UHFFFAOYSA-N	0	3	320.433	2.512	20	30		DFEDHN
C[C@H](C#N)CN(C)Cc1ccc(OCCN2CCCC2)cc1	ZINC000611260952	399453615	/nfs/dbraw/zinc/45/36/15/399453615.db2.gz	IWOFXAVXDYYPNN-MRXNPFEDSA-N	0	3	301.434	2.753	20	30		DFEDHN
C[C@H](CCC#N)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000602453914	399448674	/nfs/dbraw/zinc/44/86/74/399448674.db2.gz	KQKFTXGNLLYTEE-CJNGLKHVSA-N	0	3	318.396	2.961	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](c2cnn(C)c2)C1	ZINC000611235442	399448792	/nfs/dbraw/zinc/44/87/92/399448792.db2.gz	VNAVPRHQOWEGGX-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)C1CCOCC1	ZINC000602453934	399448901	/nfs/dbraw/zinc/44/89/01/399448901.db2.gz	KZKMURZXGVKUDV-IBGZPJMESA-N	0	3	314.429	2.988	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCc2ccc(O)cc2CC1	ZINC000611236171	399449085	/nfs/dbraw/zinc/44/90/85/399449085.db2.gz	RGFKMRQYXJGSLS-UHFFFAOYSA-N	0	3	308.381	2.873	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)Cc1ccccc1-n1cncn1	ZINC000611254318	399451877	/nfs/dbraw/zinc/45/18/77/399451877.db2.gz	DYXDDCZHLHNCFX-UHFFFAOYSA-N	0	3	303.369	2.771	20	30		DFEDHN
C[C@H](N(Cc1ccc(C#N)cc1)C1CC1)C(C)(C)n1cncn1	ZINC000602442103	399444751	/nfs/dbraw/zinc/44/47/51/399444751.db2.gz	UVLHUTWGBHEGEC-AWEZNQCLSA-N	0	3	309.417	2.938	20	30		DFEDHN
CN1CCN(Cc2cccc(NC3CCC(C#N)CC3)c2)CC1	ZINC000602488597	399459906	/nfs/dbraw/zinc/45/99/06/399459906.db2.gz	WJFOZAGMPPMLCE-UHFFFAOYSA-N	0	3	312.461	2.928	20	30		DFEDHN
N#Cc1cccc(CNC[C@H](c2cccs2)N2CCCC2)n1	ZINC000602505205	399462483	/nfs/dbraw/zinc/46/24/83/399462483.db2.gz	UJAADGOFRREUFZ-MRXNPFEDSA-N	0	3	312.442	2.941	20	30		DFEDHN
CCc1ccc([C@H](CNCc2cccc(C#N)n2)N(C)C)cc1	ZINC000602503626	399462637	/nfs/dbraw/zinc/46/26/37/399462637.db2.gz	NFJXOROTHCDNQN-IBGZPJMESA-N	0	3	308.429	2.908	20	30		DFEDHN
C[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1cccc(C#N)c1	ZINC000611387168	399468759	/nfs/dbraw/zinc/46/87/59/399468759.db2.gz	FZNNJDLFVXWAMV-CYBMUJFWSA-N	0	3	319.364	2.505	20	30		DFEDHN
C[C@@H](NCCn1cnc2ccccc2c1=O)c1cccc(C#N)c1	ZINC000611386327	399468815	/nfs/dbraw/zinc/46/88/15/399468815.db2.gz	IBSUROJVWZXIPD-CQSZACIVSA-N	0	3	318.380	2.619	20	30		DFEDHN
CN(CCCN1C(=O)c2ccccc2C1=O)CCC(C)(C)C#N	ZINC000425544921	335046404	/nfs/dbraw/zinc/04/64/04/335046404.db2.gz	FHJUKGHPPQFZFQ-UHFFFAOYSA-N	0	3	313.401	2.544	20	30		DFEDHN
C[C@H](CO[C@H]1CCOC1)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000611393950	399469444	/nfs/dbraw/zinc/46/94/44/399469444.db2.gz	VBZRIIYFMWMTBF-SKDZVZGDSA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@H](NCc1ccnc(C#N)c1)c1ccccc1-n1cccn1	ZINC000611393750	399469583	/nfs/dbraw/zinc/46/95/83/399469583.db2.gz	VNPBLTDPSXHTCK-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCC(=O)N1CCCCC1	ZINC000611390772	399469645	/nfs/dbraw/zinc/46/96/45/399469645.db2.gz	CMKXLZAATMOSCS-SFHVURJKSA-N	0	3	311.429	2.928	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@H]1CCCc3cc(C#N)ccc31)CC2	ZINC000611394225	399470550	/nfs/dbraw/zinc/47/05/50/399470550.db2.gz	WJSTYELOIOAXTC-RDJZCZTQSA-N	0	3	321.428	2.694	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)C)c1	ZINC000602541641	399471421	/nfs/dbraw/zinc/47/14/21/399471421.db2.gz	QKSZHVKFQMEQGI-OAHLLOKOSA-N	0	3	301.434	2.941	20	30		DFEDHN
CCCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCCC#N	ZINC000602544370	399471604	/nfs/dbraw/zinc/47/16/04/399471604.db2.gz	AIAPJAXKCUWRGU-QGZVFWFLSA-N	0	3	317.433	2.845	20	30		DFEDHN
CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@@H](N)CCCC#N	ZINC000602555564	399474639	/nfs/dbraw/zinc/47/46/39/399474639.db2.gz	IUAXYPDWAYZNAE-HOTGVXAUSA-N	0	3	317.408	2.941	20	30		DFEDHN
CC[C@H](NCCC(C)(C)C#N)c1ccccc1OCC(=O)NC	ZINC000611462957	399478955	/nfs/dbraw/zinc/47/89/55/399478955.db2.gz	RLBMGUNJSLLXSO-HNNXBMFYSA-N	0	3	317.433	2.792	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(C(F)(F)F)CCCC1	ZINC000602571970	399479542	/nfs/dbraw/zinc/47/95/42/399479542.db2.gz	IABATGAWSQGGPL-NSHDSACASA-N	0	3	305.344	2.637	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000611478775	399479834	/nfs/dbraw/zinc/47/98/34/399479834.db2.gz	FTBYWJMIVQZNLR-QGZVFWFLSA-N	0	3	311.429	2.846	20	30		DFEDHN
CC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000602583881	399483230	/nfs/dbraw/zinc/48/32/30/399483230.db2.gz	VCPFTOINCGYJTQ-DOTOQJQBSA-N	0	3	305.397	2.978	20	30		DFEDHN
COc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000602591248	399485110	/nfs/dbraw/zinc/48/51/10/399485110.db2.gz	FVKGWGDSKSUQGQ-KRWDZBQOSA-N	0	3	315.417	2.849	20	30		DFEDHN
Cn1cc(CN2CCCOC(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000611518431	399487259	/nfs/dbraw/zinc/48/72/59/399487259.db2.gz	IFXJMPVGTIXTSI-UHFFFAOYSA-N	0	3	324.428	2.960	20	30		DFEDHN
N#CCN1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1	ZINC000611519188	399487525	/nfs/dbraw/zinc/48/75/25/399487525.db2.gz	BNQHHOSNBHSVIF-IBGZPJMESA-N	0	3	306.413	2.749	20	30		DFEDHN
C[C@@H](NC(=O)CCN(C)c1ccncc1)c1cccc(C#N)c1	ZINC000611528650	399488687	/nfs/dbraw/zinc/48/86/87/399488687.db2.gz	XSTYPLRTLQFBDP-CQSZACIVSA-N	0	3	308.385	2.657	20	30		DFEDHN
Cc1nc2c(n1[C@@H]1CCN(Cc3cccc(C#N)n3)C1)CCCC2	ZINC000602623932	399494283	/nfs/dbraw/zinc/49/42/83/399494283.db2.gz	KSDNIWKJXBLGGN-QGZVFWFLSA-N	0	3	321.428	2.784	20	30		DFEDHN
CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1	ZINC000611587817	399497697	/nfs/dbraw/zinc/49/76/97/399497697.db2.gz	SXAXKDIHAZDDJP-PRXAMGSTSA-N	0	3	303.381	2.605	20	30		DFEDHN
CCOC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)[nH]1	ZINC000602641563	399500185	/nfs/dbraw/zinc/50/01/85/399500185.db2.gz	SWLPPVDKOCLHQW-INIZCTEOSA-N	0	3	309.369	2.840	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CNC[C@@H](C)CCC#N)s1	ZINC000602647690	399501242	/nfs/dbraw/zinc/50/12/42/399501242.db2.gz	KGLFRXHRLATBHR-NSHDSACASA-N	0	3	300.449	2.571	20	30		DFEDHN
C[C@@H](CCC#N)CN(Cc1ccc(C(N)=O)cc1F)C1CC1	ZINC000602670193	399512542	/nfs/dbraw/zinc/51/25/42/399512542.db2.gz	BXHCDLQWAFLCJH-LBPRGKRZSA-N	0	3	303.381	2.829	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1ccccc1	ZINC000287793270	335047903	/nfs/dbraw/zinc/04/79/03/335047903.db2.gz	BKPVUYKMDAEFQC-NVXWUHKLSA-N	0	3	301.434	2.681	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1	ZINC000119914154	195061728	/nfs/dbraw/zinc/06/17/28/195061728.db2.gz	SULJXLUQGOVOKQ-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
CN1C(=O)C[C@@H](NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000120038238	195084743	/nfs/dbraw/zinc/08/47/43/195084743.db2.gz	IDOZHOFZKWPRKN-MJGOQNOKSA-N	0	3	323.371	2.759	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]c2ncncc12	ZINC000602695277	399524014	/nfs/dbraw/zinc/52/40/14/399524014.db2.gz	LHRPKNPUJAAITB-KRWDZBQOSA-N	0	3	303.369	2.948	20	30		DFEDHN
N#Cc1cccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1	ZINC000602695403	399524404	/nfs/dbraw/zinc/52/44/04/399524404.db2.gz	SMISOOSNCXEQIH-FXAWDEMLSA-N	0	3	318.424	2.660	20	30		DFEDHN
C=C(C)C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)OC	ZINC000602733657	399547169	/nfs/dbraw/zinc/54/71/69/399547169.db2.gz	KLYSMFCXHCUVSX-JQHSSLGASA-N	0	3	316.445	2.919	20	30		DFEDHN
C=C(C)C[C@H](NC1CCN(Cc2ccccc2)CC1)C(=O)OC	ZINC000602733331	399546610	/nfs/dbraw/zinc/54/66/10/399546610.db2.gz	HFVGHBHRVLIHER-SFHVURJKSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000158915421	197310997	/nfs/dbraw/zinc/31/09/97/197310997.db2.gz	JEYCDBUGJKLWLR-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCN(CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-]	ZINC000602769068	399564035	/nfs/dbraw/zinc/56/40/35/399564035.db2.gz	MPJYKMILHXXKSW-UHFFFAOYSA-N	0	3	314.389	2.830	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](C)Cc1ccccc1SC	ZINC000272885382	210275092	/nfs/dbraw/zinc/27/50/92/210275092.db2.gz	RMVKRPYRONIHLL-CYBMUJFWSA-N	0	3	313.488	2.530	20	30		DFEDHN
C=CCCOCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000287885074	335050012	/nfs/dbraw/zinc/05/00/12/335050012.db2.gz	MPAVKNZKEKTLNY-WBVHZDCISA-N	0	3	319.449	2.570	20	30		DFEDHN
C=C(CNC(=O)N(C)CC1CCN(C)CC1)c1ccccc1	ZINC000287951148	335050394	/nfs/dbraw/zinc/05/03/94/335050394.db2.gz	GWOKQJLVKGXLMX-UHFFFAOYSA-N	0	3	301.434	2.683	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)c1	ZINC000612099052	399582351	/nfs/dbraw/zinc/58/23/51/399582351.db2.gz	JSFDAYLYCNULCY-SFHVURJKSA-N	0	3	314.433	2.583	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cn(CC)nc1C)C(C)C	ZINC000625556250	399585754	/nfs/dbraw/zinc/58/57/54/399585754.db2.gz	CUSHIZXKXGJGTN-QGZVFWFLSA-N	0	3	318.465	2.640	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@](C)(C#N)C1	ZINC000612122150	399587382	/nfs/dbraw/zinc/58/73/82/399587382.db2.gz	DBMLCXKHCIUQTH-BFYDXBDKSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCN(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000156917915	197149974	/nfs/dbraw/zinc/14/99/74/197149974.db2.gz	RNAKXVZYFRJBGZ-UHFFFAOYSA-N	0	3	319.474	2.928	20	30		DFEDHN
C=C(C)CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000156631857	197129221	/nfs/dbraw/zinc/12/92/21/197129221.db2.gz	KVKGSXLTBKKUBU-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
CCN1CCN(Cc2ccc(NCc3ccc(C#N)o3)cc2)CC1	ZINC000156346654	197106214	/nfs/dbraw/zinc/10/62/14/197106214.db2.gz	ABCVIIXLGWHOIL-UHFFFAOYSA-N	0	3	324.428	2.901	20	30		DFEDHN
Cc1ccc(C)c(OCCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602857915	399605098	/nfs/dbraw/zinc/60/50/98/399605098.db2.gz	WVWNANSXEGTSHE-ROUUACIJSA-N	0	3	315.461	2.991	20	30		DFEDHN
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CCOCC1	ZINC000120528391	195184257	/nfs/dbraw/zinc/18/42/57/195184257.db2.gz	OSVGHALHFSEFTR-CQSZACIVSA-N	0	3	315.417	2.634	20	30		DFEDHN
Cc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C#N	ZINC000602891796	399616997	/nfs/dbraw/zinc/61/69/97/399616997.db2.gz	PFXWGWUXNBMEDD-QZTJIDSGSA-N	0	3	314.429	2.667	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)CC1(N2CCOCC2)CCCC1	ZINC000620858909	399617120	/nfs/dbraw/zinc/61/71/20/399617120.db2.gz	STOQELYHQNLCPM-UHFFFAOYSA-N	0	3	308.466	2.883	20	30		DFEDHN
C=CC[C@H]1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000625703823	399618668	/nfs/dbraw/zinc/61/86/68/399618668.db2.gz	PKEAFFLKYWKOEW-RDJZCZTQSA-N	0	3	303.402	2.527	20	30		DFEDHN
Cc1nccn1CCN1CCC(Nc2ccccc2C#N)CC1	ZINC000602902201	399621361	/nfs/dbraw/zinc/62/13/61/399621361.db2.gz	VFFOLJMBUXIMTD-UHFFFAOYSA-N	0	3	309.417	2.640	20	30		DFEDHN
CN(CCCC#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000602924618	399629559	/nfs/dbraw/zinc/62/95/59/399629559.db2.gz	GSSVYQPWJRWKQK-ZDUSSCGKSA-N	0	3	317.216	2.969	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN[C@H]3C[C@@H](O)C3)c2)c1	ZINC000294860109	224270134	/nfs/dbraw/zinc/27/01/34/224270134.db2.gz	OFDAHHYCVQBCJQ-HDICACEKSA-N	0	3	308.381	2.750	20	30		DFEDHN
Cc1[nH]ncc1CN(C)Cc1cc(C#N)ccc1Br	ZINC000602943107	399634873	/nfs/dbraw/zinc/63/48/73/399634873.db2.gz	OPLVNDHWQGMKNR-UHFFFAOYSA-N	0	3	319.206	2.984	20	30		DFEDHN
N#CCCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000612371883	399635439	/nfs/dbraw/zinc/63/54/39/399635439.db2.gz	DKOGCUHYRNZJQP-QGZVFWFLSA-N	0	3	314.433	2.817	20	30		DFEDHN
C#Cc1ccc(CN2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)cc1	ZINC000289353058	335058162	/nfs/dbraw/zinc/05/81/62/335058162.db2.gz	JJGHLMMZJHILLP-PMACEKPBSA-N	0	3	323.440	2.653	20	30		DFEDHN
COC[C@]1(C(=O)OC(C)(C)C)CCN(CCC(C)(C)C#N)C1	ZINC000602959832	399640549	/nfs/dbraw/zinc/64/05/49/399640549.db2.gz	AOCKKIUSBZIMRJ-KRWDZBQOSA-N	0	3	310.438	2.606	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)CCN1C	ZINC000603074416	399674297	/nfs/dbraw/zinc/67/42/97/399674297.db2.gz	HKHKQHDWEXQUPZ-NHYWBVRUSA-N	0	3	304.369	2.644	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603070032	399671000	/nfs/dbraw/zinc/67/10/00/399671000.db2.gz	AXSMPTBHAJTFTO-AWEZNQCLSA-N	0	3	304.369	2.693	20	30		DFEDHN
CCCN1CCN(c2ccccc2CNCC(C)(C)C#N)CC1	ZINC000612585521	399682059	/nfs/dbraw/zinc/68/20/59/399682059.db2.gz	IPOBRWVCKOUPBT-UHFFFAOYSA-N	0	3	314.477	2.858	20	30		DFEDHN
N#CCCCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145187	399695254	/nfs/dbraw/zinc/69/52/54/399695254.db2.gz	NPNBUXLXBGZBMT-KBPBESRZSA-N	0	3	300.324	2.804	20	30		DFEDHN
Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)cc1C#N	ZINC000603223719	399715239	/nfs/dbraw/zinc/71/52/39/399715239.db2.gz	NUPUKUZSPAFTJF-UHFFFAOYSA-N	0	3	309.417	2.929	20	30		DFEDHN
CC[C@](C)(N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603249914	399723016	/nfs/dbraw/zinc/72/30/16/399723016.db2.gz	HTKNQLMBKQOCLT-AWEZNQCLSA-N	0	3	323.322	2.801	20	30		DFEDHN
COCCOCc1cc(C#N)ccc1NCCN1CCCCC1	ZINC000603281900	399731339	/nfs/dbraw/zinc/73/13/39/399731339.db2.gz	AFSLJHCILJHGTA-UHFFFAOYSA-N	0	3	317.433	2.619	20	30		DFEDHN
C#C[C@@H](NCc1cnc2ccc(Br)cn12)C(C)C	ZINC000289637336	335062016	/nfs/dbraw/zinc/06/20/16/335062016.db2.gz	XIJICNUVZVGDNH-CYBMUJFWSA-N	0	3	306.207	2.844	20	30		DFEDHN
C#C[C@H](N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)C(C)C	ZINC000289371964	335062586	/nfs/dbraw/zinc/06/25/86/335062586.db2.gz	LOJGUNBYQWSRDV-ZFWWWQNUSA-N	0	3	318.417	2.668	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cc(C#N)c(Br)cn2)CCN1C	ZINC000603297893	399735430	/nfs/dbraw/zinc/73/54/30/399735430.db2.gz	RBKZUFOZZVAIII-GXSJLCMTSA-N	0	3	309.211	2.610	20	30		DFEDHN
C=CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H](C)COC	ZINC000617576893	399746189	/nfs/dbraw/zinc/74/61/89/399746189.db2.gz	BXQPISPLXQBZJA-INIZCTEOSA-N	0	3	316.445	2.946	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cnn1-c1ccccc1	ZINC000603375061	399757124	/nfs/dbraw/zinc/75/71/24/399757124.db2.gz	IRIJKQWGIWJTCU-YJBOKZPZSA-N	0	3	321.428	2.807	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cnn1-c1ccccc1	ZINC000603375057	399757597	/nfs/dbraw/zinc/75/75/97/399757597.db2.gz	IRIJKQWGIWJTCU-CRAIPNDOSA-N	0	3	321.428	2.807	20	30		DFEDHN
C#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cccc(OC)c2)cc1	ZINC000289806746	335065788	/nfs/dbraw/zinc/06/57/88/335065788.db2.gz	SOPFOZXJTBBTRU-UYAOXDASSA-N	0	3	307.393	2.984	20	30		DFEDHN
C=C[C@H](CO)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21	ZINC000289961533	335067509	/nfs/dbraw/zinc/06/75/09/335067509.db2.gz	WYAAVRSNRJJBTG-UHOFOFEASA-N	0	3	318.417	2.834	20	30		DFEDHN
Cc1nccn1CCNC([O-])=[NH+]C1C2CC3CC(C2)CC1C3	ZINC000328879820	543097815	/nfs/dbraw/zinc/09/78/15/543097815.db2.gz	VLIDDAHIXMTXDF-UHFFFAOYSA-N	0	3	302.422	2.520	20	30		DFEDHN
Cc1nccn1CC[NH+]=C([O-])NC1C2CC3CC(C2)CC1C3	ZINC000328879820	543097817	/nfs/dbraw/zinc/09/78/17/543097817.db2.gz	VLIDDAHIXMTXDF-UHFFFAOYSA-N	0	3	302.422	2.520	20	30		DFEDHN
C[C@H](NC(=O)CN1CCC[C@H]1C(C)(C)C)C(=O)N1CCCCC1	ZINC000329109637	543100336	/nfs/dbraw/zinc/10/03/36/543100336.db2.gz	PZJKMZVJWMGAED-GJZGRUSLSA-N	0	3	323.481	2.854	20	30		DFEDHN
Cc1cnc([C@@H](C)NC(=O)N2CCCC23CCN(C)CC3)o1	ZINC000329303451	543102375	/nfs/dbraw/zinc/10/23/75/543102375.db2.gz	XHTYANVWKOAGER-CYBMUJFWSA-N	0	3	306.410	2.518	20	30		DFEDHN
CC(=O)N[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCCC1	ZINC000329325586	543102931	/nfs/dbraw/zinc/10/29/31/543102931.db2.gz	SXLLLQSOBJHQRQ-SJORKVTESA-N	0	3	321.465	2.608	20	30		DFEDHN
Cc1cccc(OC[C@H](C)NC(=O)N[C@@H]2CCN(C3CC3)C2)c1	ZINC000329329320	543103205	/nfs/dbraw/zinc/10/32/05/543103205.db2.gz	YJMSRPQFKBVOPC-LSDHHAIUSA-N	0	3	317.433	2.503	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(C)(F)F	ZINC000604482265	399848867	/nfs/dbraw/zinc/84/88/67/399848867.db2.gz	WKOQJUGFYVJNGI-UHFFFAOYSA-N	0	3	323.387	2.884	20	30		DFEDHN
Cc1nnc([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)o1	ZINC000604554464	399855591	/nfs/dbraw/zinc/85/55/91/399855591.db2.gz	SSOXFHWQOQBQDP-HNNXBMFYSA-N	0	3	312.373	2.508	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CC2(O)CCC2)ccc1OC	ZINC000355375690	543248933	/nfs/dbraw/zinc/24/89/33/543248933.db2.gz	VLAAVANTPIXSJW-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
Cc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)o1	ZINC000025221899	145186630	/nfs/dbraw/zinc/18/66/30/145186630.db2.gz	KXLYLGBHLVGKFB-UHFFFAOYSA-N	0	3	303.387	2.982	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000170954538	145256558	/nfs/dbraw/zinc/25/65/58/145256558.db2.gz	VGWRPQNWPHCFQE-YJBOKZPZSA-N	0	3	322.408	2.917	20	30		DFEDHN
Cn1cc([C@H]2CCN(CCCOc3ccc(C#N)cc3)C2)cn1	ZINC000172051890	145288399	/nfs/dbraw/zinc/28/83/99/145288399.db2.gz	AXHYFZPOZAZPPE-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)CN1	ZINC000415786969	543331354	/nfs/dbraw/zinc/33/13/54/543331354.db2.gz	PYFZZZWDJWFZHX-MNOVXSKESA-N	0	3	306.797	2.620	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCS1	ZINC000174366047	145377493	/nfs/dbraw/zinc/37/74/93/145377493.db2.gz	ZGAHZKGYOQPDMN-GFCCVEGCSA-N	0	3	309.460	2.776	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000174508698	145381681	/nfs/dbraw/zinc/38/16/81/145381681.db2.gz	YHARJKDFAUQABL-CVEARBPZSA-N	0	3	310.401	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)OCc2cccc(C)c2)CC1	ZINC000630944136	399951030	/nfs/dbraw/zinc/95/10/30/399951030.db2.gz	SRJNFYQDNKFTRE-MRXNPFEDSA-N	0	3	316.445	2.667	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000627121029	399918994	/nfs/dbraw/zinc/91/89/94/399918994.db2.gz	LOLCUDWSQBXRCR-MRXNPFEDSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@@H]1CCN1C1CCCCC1)OCC	ZINC000628544428	400039508	/nfs/dbraw/zinc/03/95/08/400039508.db2.gz	NAQLRCKYCIBBQC-IRXDYDNUSA-N	0	3	308.466	2.881	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1c(OC)cc(F)cc1OC	ZINC000631125522	399985322	/nfs/dbraw/zinc/98/53/22/399985322.db2.gz	FVBFHGOXASZFLD-YVEFUNNKSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCC1(CNCc2cn(C[C@@H]3CCOC3)nn2)CCCC1	ZINC000631152862	399991431	/nfs/dbraw/zinc/99/14/31/399991431.db2.gz	MIHHOLOWXDKNRF-HNNXBMFYSA-N	0	3	304.438	2.541	20	30		DFEDHN
C=CCC1(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)CCC1	ZINC000634194698	399996219	/nfs/dbraw/zinc/99/62/19/399996219.db2.gz	WLQCEPULUYWRLV-UHFFFAOYSA-N	0	3	314.433	2.518	20	30		DFEDHN
CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N	ZINC000424090000	543342185	/nfs/dbraw/zinc/34/21/85/543342185.db2.gz	JQXKBHZRTVIXHZ-HNNXBMFYSA-N	0	3	323.824	2.588	20	30		DFEDHN
Cc1nc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)oc1C	ZINC000424096236	543342250	/nfs/dbraw/zinc/34/22/50/543342250.db2.gz	BRRXSZLBHRLOQW-OAHLLOKOSA-N	0	3	312.373	2.918	20	30		DFEDHN
C[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1n1ccnc1	ZINC000247786413	146170363	/nfs/dbraw/zinc/17/03/63/146170363.db2.gz	YLWJBFCTVPFFPZ-MAUKXSAKSA-N	0	3	310.401	2.717	20	30		DFEDHN
N#Cc1csc(CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1	ZINC000250057698	146210525	/nfs/dbraw/zinc/21/05/25/146210525.db2.gz	MSDFLBQDUBKEBE-DZGCQCFKSA-N	0	3	304.440	2.889	20	30		DFEDHN
C#CCN1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1	ZINC000491674532	543407316	/nfs/dbraw/zinc/40/73/16/543407316.db2.gz	KLTZCXASRNJKAR-HIFRSBDPSA-N	0	3	308.219	2.828	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CNC2(c3ccccc3)CCC2)c1	ZINC000355260089	147243378	/nfs/dbraw/zinc/24/33/78/147243378.db2.gz	HQLQPUDNQXWQBU-UHFFFAOYSA-N	0	3	319.408	2.843	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1	ZINC000355370869	147288753	/nfs/dbraw/zinc/28/87/53/147288753.db2.gz	VIDLYJYDHOQKPU-UHFFFAOYSA-N	0	3	308.385	2.914	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C	ZINC000357680318	148081047	/nfs/dbraw/zinc/08/10/47/148081047.db2.gz	LZCHDCFQYUXSEV-ZWNOBZJWSA-N	0	3	306.797	2.816	20	30		DFEDHN
C[C@@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F	ZINC000358571625	148387674	/nfs/dbraw/zinc/38/76/74/148387674.db2.gz	OVYDSLGPDACIBQ-QLFBSQMISA-N	0	3	319.424	2.847	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](Cc1ccccc1)c1ccc(OC)cc1	ZINC000290184107	335069835	/nfs/dbraw/zinc/06/98/35/335069835.db2.gz	RGMXNXSGDFKCCZ-IBGZPJMESA-N	0	3	324.424	2.871	20	30		DFEDHN
Cc1c([C@H]2CCCN2CCOc2ccc(C#N)cc2)cnn1C	ZINC000361083418	149025674	/nfs/dbraw/zinc/02/56/74/149025674.db2.gz	HAYQIRHMFHYTPB-GOSISDBHSA-N	0	3	310.401	2.816	20	30		DFEDHN
N#Cc1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc1	ZINC000361089164	149026514	/nfs/dbraw/zinc/02/65/14/149026514.db2.gz	VRDGBRZMIZLPFI-IBGZPJMESA-N	0	3	307.397	2.737	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000361136815	149037427	/nfs/dbraw/zinc/03/74/27/149037427.db2.gz	SJLWXTLYDUERLY-GFCCVEGCSA-N	0	3	312.348	2.772	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000361251921	149067008	/nfs/dbraw/zinc/06/70/08/149067008.db2.gz	NSDMAKJXJWYLSR-HNNXBMFYSA-N	0	3	309.344	2.592	20	30		DFEDHN
CCN(CC1CCC1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000361481174	149126050	/nfs/dbraw/zinc/12/60/50/149126050.db2.gz	KESSHTHYOKIARU-CQSZACIVSA-N	0	3	303.431	2.847	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC12CCC2	ZINC000361989407	149271583	/nfs/dbraw/zinc/27/15/83/149271583.db2.gz	GLWWSENLPFNSHS-OAHLLOKOSA-N	0	3	311.429	2.687	20	30		DFEDHN
C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC12CCC2	ZINC000361989401	149271609	/nfs/dbraw/zinc/27/16/09/149271609.db2.gz	GLWWSENLPFNSHS-HNNXBMFYSA-N	0	3	311.429	2.687	20	30		DFEDHN
N#Cc1ccc2ncc(CNC[C@@H]3OCCc4ccccc43)n2c1	ZINC000371725527	150086472	/nfs/dbraw/zinc/08/64/72/150086472.db2.gz	XBDRDSHIKBZZJA-SFHVURJKSA-N	0	3	318.380	2.610	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)C2CCC2)CC1	ZINC000371730311	150087538	/nfs/dbraw/zinc/08/75/38/150087538.db2.gz	RBAIZUZJIGCPMQ-AWEZNQCLSA-N	0	3	311.429	3.000	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000371882909	150108200	/nfs/dbraw/zinc/10/82/00/150108200.db2.gz	FULIZBOEALKREX-INIZCTEOSA-N	0	3	322.412	2.528	20	30		DFEDHN
N#Cc1cccc(CNC2CC(O)(Cc3cccc(F)c3)C2)c1	ZINC000372289287	150159136	/nfs/dbraw/zinc/15/91/36/150159136.db2.gz	ORAVMWLCUHBXNT-UHFFFAOYSA-N	0	3	310.372	2.923	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000373829412	150264674	/nfs/dbraw/zinc/26/46/74/150264674.db2.gz	BOANZHFKAZHNDN-MRXNPFEDSA-N	0	3	323.396	2.854	20	30		DFEDHN
COc1cc(CNCc2cccc(-c3nc[nH]n3)c2)ccc1C#N	ZINC000374150711	150312587	/nfs/dbraw/zinc/31/25/87/150312587.db2.gz	ZLEMSYKJETWDRH-UHFFFAOYSA-N	0	3	319.368	2.642	20	30		DFEDHN
C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CCN(Cc2ccccc2)C1	ZINC000374162698	150315747	/nfs/dbraw/zinc/31/57/47/150315747.db2.gz	NNTKBACYGCCRHF-IBGZPJMESA-N	0	3	322.412	2.528	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1C#N	ZINC000374204116	150321878	/nfs/dbraw/zinc/32/18/78/150321878.db2.gz	IHONAMLOFKGTGP-DJIMGWMZSA-N	0	3	300.402	2.812	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc(C#N)cc1)[C@H]1COc2ccccc21	ZINC000185606999	158064580	/nfs/dbraw/zinc/06/45/80/158064580.db2.gz	ZUFRTJNKKHJCAI-SUMWQHHRSA-N	0	3	321.380	2.651	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCOCC2	ZINC000185650409	158067660	/nfs/dbraw/zinc/06/76/60/158067660.db2.gz	AOOZEFKAMAAFMR-CABCVRRESA-N	0	3	306.431	2.684	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCS[C@H]3COCC[C@H]32)cc1	ZINC000247276365	158126710	/nfs/dbraw/zinc/12/67/10/158126710.db2.gz	SNPTYWPPVAHVAF-SJORKVTESA-N	0	3	318.442	2.533	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@]3(C2)OCc2ccccc23)cc1	ZINC000248710155	158197943	/nfs/dbraw/zinc/19/79/43/158197943.db2.gz	MRXVQBJPAYJMPE-WOJBJXKFSA-N	0	3	320.392	2.723	20	30		DFEDHN
CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000280231018	158212455	/nfs/dbraw/zinc/21/24/55/158212455.db2.gz	AJCLNDYQHYOTOZ-RDTXWAMCSA-N	0	3	315.417	2.776	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@@H](Oc3ccccn3)C2)c1	ZINC000357007397	158346143	/nfs/dbraw/zinc/34/61/43/158346143.db2.gz	CSTSZIXUTYMTFV-GOSISDBHSA-N	0	3	323.396	2.875	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000358581500	158391500	/nfs/dbraw/zinc/39/15/00/158391500.db2.gz	YMVWSGLRVFJIOO-AEGPPILISA-N	0	3	317.408	2.995	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C#N	ZINC000129535868	196056262	/nfs/dbraw/zinc/05/62/62/196056262.db2.gz	KQWUXSKDTQIILJ-PBHICJAKSA-N	0	3	310.401	2.846	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c(Cl)cnn1C)C(C)C	ZINC000668682469	543844719	/nfs/dbraw/zinc/84/47/19/543844719.db2.gz	HUODBUMHCZXGAZ-CQSZACIVSA-N	0	3	324.856	2.502	20	30		DFEDHN
O=C1C[C@H]([C@@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CN1	ZINC000671448815	544074055	/nfs/dbraw/zinc/07/40/55/544074055.db2.gz	HPLZNVKPECWIKD-CVEARBPZSA-N	0	3	316.832	2.540	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000290651789	335073948	/nfs/dbraw/zinc/07/39/48/335073948.db2.gz	UGAVDLUJQSCXBL-MRXNPFEDSA-N	0	3	308.397	2.527	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000675486880	544315924	/nfs/dbraw/zinc/31/59/24/544315924.db2.gz	PFKDMQGEFPUHIU-HZPDHXFCSA-N	0	3	304.434	2.533	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000677477707	544494474	/nfs/dbraw/zinc/49/44/74/544494474.db2.gz	UBCSGFXOTLIRRC-LBPRGKRZSA-N	0	3	301.333	2.665	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](CO)CC2CC2)ccc1OC	ZINC000677246359	544458229	/nfs/dbraw/zinc/45/82/29/544458229.db2.gz	YFENYNXUCUVCQA-INIZCTEOSA-N	0	3	305.418	2.901	20	30		DFEDHN
C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@H]1C	ZINC000298533895	228612536	/nfs/dbraw/zinc/61/25/36/228612536.db2.gz	VVPSIAJGESKQJL-RBSFLKMASA-N	0	3	311.429	2.925	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@@H](C)c3ccc(C#N)cc3)cc12	ZINC000298789255	228761329	/nfs/dbraw/zinc/76/13/29/228761329.db2.gz	WWLMLDDCTYJBJT-LBPRGKRZSA-N	0	3	305.385	2.999	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)cc1	ZINC000299348137	229065315	/nfs/dbraw/zinc/06/53/15/229065315.db2.gz	BPWIRVOYVMNNRJ-ROUUACIJSA-N	0	3	311.429	2.829	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(CC2CC2)C1	ZINC000679380520	544845663	/nfs/dbraw/zinc/84/56/63/544845663.db2.gz	KEOOHXOAAGDLOH-INIZCTEOSA-N	0	3	317.433	2.504	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1ccc(C#N)nn1	ZINC000301962197	230005039	/nfs/dbraw/zinc/00/50/39/230005039.db2.gz	IIVJHBNIWVNVMG-CRAIPNDOSA-N	0	3	321.428	2.695	20	30		DFEDHN
Cc1ccc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)nc1C#N	ZINC000302615304	230319642	/nfs/dbraw/zinc/31/96/42/230319642.db2.gz	FSYVRXAMEVFQEM-NVXWUHKLSA-N	0	3	321.428	2.979	20	30		DFEDHN
CC(C)(C)C[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000057862681	425897031	/nfs/dbraw/zinc/89/70/31/425897031.db2.gz	SUVUMZSKORBWKI-HNNXBMFYSA-N	0	3	304.438	2.543	20	30		DFEDHN
CCCSCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000065930064	425903160	/nfs/dbraw/zinc/90/31/60/425903160.db2.gz	PACZDWDAJICTND-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CCC1	ZINC000457501815	269820404	/nfs/dbraw/zinc/82/04/04/269820404.db2.gz	PWGIPUCRLVWPLX-OAHLLOKOSA-N	0	3	313.445	2.885	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCc2ccc(OCC#N)cc2)cc1	ZINC000067926721	425914945	/nfs/dbraw/zinc/91/49/45/425914945.db2.gz	ADWMCWDQIVRQQR-UHFFFAOYSA-N	0	3	323.396	2.581	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)S1	ZINC000526927872	269859443	/nfs/dbraw/zinc/85/94/43/269859443.db2.gz	JZVBUNQNXDBVQV-ZENOOKHLSA-N	0	3	313.426	2.593	20	30		DFEDHN
N#CC1(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)CCCC1	ZINC000068529230	425918892	/nfs/dbraw/zinc/91/88/92/425918892.db2.gz	FPDOACNFYDHNOJ-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
Cc1ccc([O-])c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000113334582	269919069	/nfs/dbraw/zinc/91/90/69/269919069.db2.gz	UVKDBHKEPPFYBF-UHFFFAOYSA-N	0	3	322.412	2.726	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@@H](c3cc[nH]n3)C2)c1	ZINC000155628606	425922376	/nfs/dbraw/zinc/92/23/76/425922376.db2.gz	BPFOSPFZKVIYQW-MRXNPFEDSA-N	0	3	310.401	2.930	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1	ZINC000155691388	425923945	/nfs/dbraw/zinc/92/39/45/425923945.db2.gz	DCSCETZQZYSKET-UHFFFAOYSA-N	0	3	307.397	2.892	20	30		DFEDHN
N#Cc1cccnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425280336	270001099	/nfs/dbraw/zinc/00/10/99/270001099.db2.gz	XHBULMJFOOPDMI-ZWKOTPCHSA-N	0	3	304.397	2.664	20	30		DFEDHN
Cc1nc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1C#N	ZINC000487722152	270002100	/nfs/dbraw/zinc/00/21/00/270002100.db2.gz	QKBZVSPILLSMOT-HKUYNNGSSA-N	0	3	321.428	2.786	20	30		DFEDHN
COc1ccc(CN(Cc2ccccc2)C[C@@H](C)O)cc1C#N	ZINC000533079628	270002736	/nfs/dbraw/zinc/00/27/36/270002736.db2.gz	QHGAAADAGSLPEA-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1cc(C#N)cn1C	ZINC000345884613	265834451	/nfs/dbraw/zinc/83/44/51/265834451.db2.gz	LPEUUSWLYXHSGZ-UHFFFAOYSA-N	0	3	316.449	2.623	20	30		DFEDHN
CC(C)[C@H](C(=O)NCCc1cccc(C#N)c1)N1CCCCC1	ZINC000343855322	265898478	/nfs/dbraw/zinc/89/84/78/265898478.db2.gz	QVYOBDZTCYLONK-GOSISDBHSA-N	0	3	313.445	2.727	20	30		DFEDHN
CCN(CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H](C)c1ccc(C#N)cc1	ZINC000342475778	266126675	/nfs/dbraw/zinc/12/66/75/266126675.db2.gz	YZEBBRDNOLWKKW-ZYSHUDEJSA-N	0	3	313.445	2.804	20	30		DFEDHN
CCN1C[C@@H](C)N(CCCOc2cccc(C#N)c2)C[C@H]1C	ZINC000346162226	266157550	/nfs/dbraw/zinc/15/75/50/266157550.db2.gz	KLXZPSSSTJVTAY-HZPDHXFCSA-N	0	3	301.434	2.742	20	30		DFEDHN
CCc1nc(CCNCc2ccc(C#N)cc2C(F)(F)F)no1	ZINC000352821105	266448108	/nfs/dbraw/zinc/44/81/08/266448108.db2.gz	GAOCAURKWYAUPR-UHFFFAOYSA-N	0	3	324.306	2.855	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)o1	ZINC000342099935	267055622	/nfs/dbraw/zinc/05/56/22/267055622.db2.gz	LHQIGHRQISWWQE-RHSMWYFYSA-N	0	3	323.396	2.792	20	30		DFEDHN
C[C@H](NCc1ccncc1OCCN(C)C)c1ccc(C#N)cc1	ZINC000343982907	267185869	/nfs/dbraw/zinc/18/58/69/267185869.db2.gz	LFWQNUPYABXZJK-HNNXBMFYSA-N	0	3	324.428	2.744	20	30		DFEDHN
CC[C@H](O)CNCc1cccc(OCc2ccccc2C#N)c1	ZINC000422083334	267224556	/nfs/dbraw/zinc/22/45/56/267224556.db2.gz	HWFNZVCWTCIBJU-SFHVURJKSA-N	0	3	310.397	2.998	20	30		DFEDHN
CC[C@H]1CN(CC)CCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000450829627	267230475	/nfs/dbraw/zinc/23/04/75/267230475.db2.gz	MKILGCRXDNMJRU-NSHDSACASA-N	0	3	312.339	2.893	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000431896738	267285487	/nfs/dbraw/zinc/28/54/87/267285487.db2.gz	SJDXRSXXPQPYEF-SFHVURJKSA-N	0	3	307.397	2.867	20	30		DFEDHN
CN(C)[C@H]1CCOc2c(NCc3cc(C#N)n(C)c3)cccc21	ZINC000433191904	267290686	/nfs/dbraw/zinc/29/06/86/267290686.db2.gz	IOOZAYJSZFRJRY-KRWDZBQOSA-N	0	3	310.401	2.894	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000421047569	267310230	/nfs/dbraw/zinc/31/02/30/267310230.db2.gz	ZHAKCYQSUOPPRX-CYBMUJFWSA-N	0	3	306.797	2.770	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1CCCN(C)[C@H]1C	ZINC000343426627	267328573	/nfs/dbraw/zinc/32/85/73/267328573.db2.gz	FNAFWXJOMPOYJH-BLLLJJGKSA-N	0	3	312.392	2.871	20	30		DFEDHN
Cc1cc(N2CCCN(Cc3ccccc3)CC2)c(C#N)cn1	ZINC000399519355	267336245	/nfs/dbraw/zinc/33/62/45/267336245.db2.gz	QEIMEGPQHNEDTF-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc(C#N)n1	ZINC000343644499	267337374	/nfs/dbraw/zinc/33/73/74/267337374.db2.gz	FNDWZKNOJBXCAC-IBGZPJMESA-N	0	3	306.413	2.625	20	30		DFEDHN
Cc1cc(N2CCN(C)C[C@H]2C)n2c3ccccc3nc2c1C#N	ZINC000344432846	267337952	/nfs/dbraw/zinc/33/79/52/267337952.db2.gz	LMYLMMCBSYYZMH-CQSZACIVSA-N	0	3	319.412	2.808	20	30		DFEDHN
Cc1cc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc(C#N)n1	ZINC000396557340	267339609	/nfs/dbraw/zinc/33/96/09/267339609.db2.gz	IUIWSKWXNGWCFC-MRXNPFEDSA-N	0	3	306.413	2.972	20	30		DFEDHN
CN1CC[C@@H]2CN(Cc3ccc(C#N)cc3C(F)(F)F)C[C@@H]21	ZINC000449526145	267339828	/nfs/dbraw/zinc/33/98/28/267339828.db2.gz	ZDUUCSCBYCQNFO-HIFRSBDPSA-N	0	3	309.335	2.713	20	30		DFEDHN
COC(=O)CCC1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000531478779	267360185	/nfs/dbraw/zinc/36/01/85/267360185.db2.gz	USGBLJLFYYJSJF-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
COC1([C@@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1	ZINC000412029166	267431328	/nfs/dbraw/zinc/43/13/28/267431328.db2.gz	XUPXHKGOSHGNEB-LLVKDONJSA-N	0	3	321.808	2.697	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)c(OC)c1)CO2	ZINC000453235861	267647044	/nfs/dbraw/zinc/64/70/44/267647044.db2.gz	ATBOOKIDBZZKLN-MRXNPFEDSA-N	0	3	324.380	2.669	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2ccccc2C#N)CC1	ZINC000186360981	267815391	/nfs/dbraw/zinc/81/53/91/267815391.db2.gz	CAGAGUUBAXNDRQ-CYBMUJFWSA-N	0	3	301.390	2.515	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)CCc2ccc(C#N)cc2)c1	ZINC000046379986	425865104	/nfs/dbraw/zinc/86/51/04/425865104.db2.gz	NNXUOCPVCLRZNY-UHFFFAOYSA-N	0	3	321.424	2.869	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)Cc1ccc(C#N)cc1	ZINC000046529262	425865590	/nfs/dbraw/zinc/86/55/90/425865590.db2.gz	OFCUKSVGNHQEOM-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000191370002	267997727	/nfs/dbraw/zinc/99/77/27/267997727.db2.gz	YVXIBIMGDZYHAH-QWHCGFSZSA-N	0	3	321.446	2.742	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)c2cscc2C#N)N(C)C)cc1	ZINC000433101261	268044035	/nfs/dbraw/zinc/04/40/35/268044035.db2.gz	DLERBWIETFDMBX-MRXNPFEDSA-N	0	3	313.426	2.961	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)o1	ZINC000189619055	268074277	/nfs/dbraw/zinc/07/42/77/268074277.db2.gz	YMIFZLNDIGSMJI-ZWNOBZJWSA-N	0	3	302.296	2.724	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2CC(C(F)(F)F)C2)cc1	ZINC000360511295	268085296	/nfs/dbraw/zinc/08/52/96/268085296.db2.gz	AFCDIAPYLDIYDO-HSBZDZAISA-N	0	3	321.302	2.698	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCc2ccccc2)cc1	ZINC000279575706	268085871	/nfs/dbraw/zinc/08/58/71/268085871.db2.gz	ZDOVORBEARTLMX-IBGZPJMESA-N	0	3	317.392	2.990	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H](C2CC2)C(F)(F)F)cc1	ZINC000289996769	268092010	/nfs/dbraw/zinc/09/20/10/268092010.db2.gz	FKFMHKUMNGHHHG-ZIAGYGMSSA-N	0	3	321.302	2.698	20	30		DFEDHN
Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccc(C#N)cc2)n1	ZINC000424192061	268128217	/nfs/dbraw/zinc/12/82/17/268128217.db2.gz	IJTDHNXFAZLAIF-WMLDXEAASA-N	0	3	305.385	2.741	20	30		DFEDHN
Cn1cc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1C#N	ZINC000449764924	268128441	/nfs/dbraw/zinc/12/84/41/268128441.db2.gz	FJCBGNDQSQWKGW-MRXNPFEDSA-N	0	3	315.442	2.952	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1C[C@H]2CCC[C@@H](C1)N2	ZINC000420240033	268174525	/nfs/dbraw/zinc/17/45/25/268174525.db2.gz	QCEXZWKGSVQNKC-BETUJISGSA-N	0	3	306.207	2.651	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1Cl	ZINC000530025143	268178146	/nfs/dbraw/zinc/17/81/46/268178146.db2.gz	ZIGBBCYFUFHKKP-HNNXBMFYSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cc(NC(=O)NC[C@H]2CCN2C2CCCC2)ccc1F	ZINC000528962028	268188488	/nfs/dbraw/zinc/18/84/88/268188488.db2.gz	AKJOCCSGGFYHOP-OAHLLOKOSA-N	0	3	316.380	2.836	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1Cl	ZINC000530028366	268199416	/nfs/dbraw/zinc/19/94/16/268199416.db2.gz	OPLHBZRPBIPRRM-HNNXBMFYSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)o1	ZINC000429866287	268203305	/nfs/dbraw/zinc/20/33/05/268203305.db2.gz	JYJVXHYCGDFHSI-MRXNPFEDSA-N	0	3	309.369	2.718	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1	ZINC000521632464	268219130	/nfs/dbraw/zinc/21/91/30/268219130.db2.gz	SJGWZPYNOXLQIF-GOEBONIOSA-N	0	3	315.373	2.715	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccncc1	ZINC000528422737	268301595	/nfs/dbraw/zinc/30/15/95/268301595.db2.gz	FOTNIFBODXJPEE-MSOLQXFVSA-N	0	3	323.396	2.530	20	30		DFEDHN
N#Cc1ccc(CNCCc2ccc3c(c2)OCCO3)c(F)c1	ZINC000298085040	268312466	/nfs/dbraw/zinc/31/24/66/268312466.db2.gz	LVJQWMSPUYVTMB-UHFFFAOYSA-N	0	3	312.344	2.801	20	30		DFEDHN
N#Cc1csc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1	ZINC000177111455	268319304	/nfs/dbraw/zinc/31/93/04/268319304.db2.gz	GMFMIEHCDQHGJF-AWEZNQCLSA-N	0	3	303.431	2.614	20	30		DFEDHN
C[C@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000308689380	268335493	/nfs/dbraw/zinc/33/54/93/268335493.db2.gz	DIACNHYPZSQHTK-WMLDXEAASA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000316502951	268344467	/nfs/dbraw/zinc/34/44/67/268344467.db2.gz	ADVREYRGJIVBLB-ZBFHGGJFSA-N	0	3	320.458	2.748	20	30		DFEDHN
COc1cccc([C@H](CNCc2cccc(C#N)c2)N(C)C)c1	ZINC000071090219	425981767	/nfs/dbraw/zinc/98/17/67/425981767.db2.gz	ROVBVWGHNDSEMG-IBGZPJMESA-N	0	3	309.413	2.959	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H]2CN2CCOCC2)c1	ZINC000125632254	425982831	/nfs/dbraw/zinc/98/28/31/425982831.db2.gz	LZVCDYBABOKMGN-SFHVURJKSA-N	0	3	316.445	2.548	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCCC[C@H](N2CCCC2)C1	ZINC000107526229	425995074	/nfs/dbraw/zinc/99/50/74/425995074.db2.gz	CXSCYLLBLDNZJY-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
C[C@@H](SCCN(C)C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000157854869	425939612	/nfs/dbraw/zinc/93/96/12/425939612.db2.gz	BOIABYUUKRGLLB-CYBMUJFWSA-N	0	3	323.437	2.756	20	30		DFEDHN
COCC(C)(C)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000158194148	425940491	/nfs/dbraw/zinc/94/04/91/425940491.db2.gz	IUMNRMGIJVFYOC-UHFFFAOYSA-N	0	3	301.308	2.951	20	30		DFEDHN
CN(C)CCN(C(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000069509337	425944668	/nfs/dbraw/zinc/94/46/68/425944668.db2.gz	ZOQPCYMXDSZNLC-UHFFFAOYSA-N	0	3	307.397	2.961	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccnc2)cc1	ZINC000336881019	268450642	/nfs/dbraw/zinc/45/06/42/268450642.db2.gz	RTZPVHRPJAMQIG-PKOBYXMFSA-N	0	3	323.396	2.530	20	30		DFEDHN
CN(CCCNC(=O)OC(C)(C)C)Cc1cccc(C#N)c1	ZINC000125169025	425956109	/nfs/dbraw/zinc/95/61/09/425956109.db2.gz	NSODYEZTLNRKBE-UHFFFAOYSA-N	0	3	303.406	2.905	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000106040383	425970520	/nfs/dbraw/zinc/97/05/20/425970520.db2.gz	FIWADZYMMFZPGL-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2c(C)cccc2C)CC1	ZINC000106040163	425970542	/nfs/dbraw/zinc/97/05/42/425970542.db2.gz	UIKFBJAGGUYWEG-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccnc2Cl)CC1	ZINC000106252963	425971349	/nfs/dbraw/zinc/97/13/49/425971349.db2.gz	UOXOZXBFDFQNTM-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@H](C)S1	ZINC000070383178	425971667	/nfs/dbraw/zinc/97/16/67/425971667.db2.gz	ZOSJIKLSJAGBCM-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
C=C(C)CN1CCC(NCc2nccn2CC(F)(F)F)CC1	ZINC000106244993	425972327	/nfs/dbraw/zinc/97/23/27/425972327.db2.gz	YHCLBJBCJOYXEO-UHFFFAOYSA-N	0	3	316.371	2.576	20	30		DFEDHN
CN(CCn1cc(Br)cn1)Cc1ccc(C#N)cc1	ZINC000111200061	426037474	/nfs/dbraw/zinc/03/74/74/426037474.db2.gz	GAPBWIIWKHDHDB-UHFFFAOYSA-N	0	3	319.206	2.649	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000111510324	426052016	/nfs/dbraw/zinc/05/20/16/426052016.db2.gz	ABQRJFIPRGKSTE-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=C(C)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000162485952	426066136	/nfs/dbraw/zinc/06/61/36/426066136.db2.gz	OIODCKKSJAAUKZ-UHFFFAOYSA-N	0	3	301.434	2.699	20	30		DFEDHN
CCC[C@@H]1[C@H](C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000072775066	426019507	/nfs/dbraw/zinc/01/95/07/426019507.db2.gz	IYALSYAGKDSRME-HZPDHXFCSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21	ZINC000163075727	426088959	/nfs/dbraw/zinc/08/89/59/426088959.db2.gz	UMNWZFOUCZTXIQ-YQQAZPJKSA-N	0	3	314.429	2.730	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000128145528	426103178	/nfs/dbraw/zinc/10/31/78/426103178.db2.gz	CTWYYLGVLSQMFT-CZUORRHYSA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC(C)CC1	ZINC000077499110	426136648	/nfs/dbraw/zinc/13/66/48/426136648.db2.gz	ONWZQYQVJSMOGJ-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000338142827	268628072	/nfs/dbraw/zinc/62/80/72/268628072.db2.gz	KKNTWCDVIOFZHG-GOSISDBHSA-N	0	3	321.424	2.769	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccccc2OCC)CC1	ZINC000171722138	426206688	/nfs/dbraw/zinc/20/66/88/426206688.db2.gz	MUYHSBSFQBSTIM-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000114723795	426142356	/nfs/dbraw/zinc/14/23/56/426142356.db2.gz	WPJFAZQXGVUIJB-UHFFFAOYSA-N	0	3	303.362	2.906	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000115255256	426158464	/nfs/dbraw/zinc/15/84/64/426158464.db2.gz	BSBMYNXULBHPCJ-UHFFFAOYSA-N	0	3	311.429	2.895	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCSc2ccccc2)CC1	ZINC000171703187	426205731	/nfs/dbraw/zinc/20/57/31/426205731.db2.gz	BEEMTPDHGNIXEH-UHFFFAOYSA-N	0	3	319.474	2.728	20	30		DFEDHN
C=CCCN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000132732520	426171162	/nfs/dbraw/zinc/17/11/62/426171162.db2.gz	XEWPZJRXDDEJJI-MRXNPFEDSA-N	0	3	322.474	2.561	20	30		DFEDHN
Cc1cc(Cl)c2ncc(C#N)c(N3CC(N(C)C)C3)c2c1	ZINC000338483628	268686689	/nfs/dbraw/zinc/68/66/89/268686689.db2.gz	DOUVNMDRKLWLQC-UHFFFAOYSA-N	0	3	300.793	2.819	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2)CN1Cc1ccccc1	ZINC000134874127	426198395	/nfs/dbraw/zinc/19/83/95/426198395.db2.gz	IFXZUJDJZDZQIK-BEFAXECRSA-N	0	3	319.408	2.951	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000116857262	426199338	/nfs/dbraw/zinc/19/93/38/426199338.db2.gz	VTYJPHUYVOYRMR-QGZVFWFLSA-N	0	3	315.461	2.670	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)c1ncccc1C#N	ZINC000081012047	426218465	/nfs/dbraw/zinc/21/84/65/426218465.db2.gz	FZNVLTYWUYZSJZ-UHFFFAOYSA-N	0	3	308.429	2.954	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1	ZINC000117793422	426223046	/nfs/dbraw/zinc/22/30/46/426223046.db2.gz	VVWJMYYCRYMVIT-KSSFIOAISA-N	0	3	314.429	2.708	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1	ZINC000135893908	426230060	/nfs/dbraw/zinc/23/00/60/426230060.db2.gz	OIGWBOYKYOSTTD-MGPUTAFESA-N	0	3	322.408	2.901	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1	ZINC000084084393	426231615	/nfs/dbraw/zinc/23/16/15/426231615.db2.gz	MINOCVDTVIFNJL-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(C#N)cs1)N(C)Cc1ccccc1	ZINC000084109593	426233249	/nfs/dbraw/zinc/23/32/49/426233249.db2.gz	IFMZQSHSFLMNAO-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(C#N)cs1	ZINC000084182780	426233849	/nfs/dbraw/zinc/23/38/49/426233849.db2.gz	SZBLFSBBJFYWBD-FRRDWIJNSA-N	0	3	305.447	2.716	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000118398345	426234844	/nfs/dbraw/zinc/23/48/44/426234844.db2.gz	VTLIJHNVDUUHOB-XJKSGUPXSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cccc(O)c1)C(C)C	ZINC000084926522	426246834	/nfs/dbraw/zinc/24/68/34/426246834.db2.gz	OQYKJICEJAZUIB-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
CCOc1ccccc1NC(=O)CCN1CCC(C#N)CC1	ZINC000136902080	426248215	/nfs/dbraw/zinc/24/82/15/426248215.db2.gz	HUHXWLXOLCSQFL-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
N#Cc1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1	ZINC000118852508	426248464	/nfs/dbraw/zinc/24/84/64/426248464.db2.gz	DREHNZJDNHOLOM-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
CN(C(=O)CN1CCC[C@H]2CCC[C@@H]21)C1(C#N)CCCCC1	ZINC000173810151	426248596	/nfs/dbraw/zinc/24/85/96/426248596.db2.gz	CDSUDSKTUHPSID-CVEARBPZSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#Cc1ccc([C@H](NCC2C3CC4CC(C3)CC2C4)C(N)=O)cc1	ZINC000119103869	426262565	/nfs/dbraw/zinc/26/25/65/426262565.db2.gz	NHZNWMWVDOBTQI-RUMSHHPPSA-N	0	3	323.440	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc(OC)c(F)c2)CC1	ZINC000171721795	426206960	/nfs/dbraw/zinc/20/69/60/426206960.db2.gz	CSCDFGNLADMMPR-UHFFFAOYSA-N	0	3	320.408	2.534	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(SCC)nc2)CC1	ZINC000171715129	426207054	/nfs/dbraw/zinc/20/70/54/426207054.db2.gz	GDHBTMFEKOTZLM-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2OC(F)F)CC1	ZINC000171720933	426207192	/nfs/dbraw/zinc/20/71/92/426207192.db2.gz	HDJCQQCMAHHSTQ-UHFFFAOYSA-N	0	3	310.344	2.668	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Oc2cccc(C)c2)CC1	ZINC000171726869	426207784	/nfs/dbraw/zinc/20/77/84/426207784.db2.gz	NCCJXNLCYMIVJS-HNNXBMFYSA-N	0	3	302.418	2.529	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc3c(c2)CCCC3)CC1	ZINC000171727708	426208386	/nfs/dbraw/zinc/20/83/86/426208386.db2.gz	DMVRABBIUSNAGD-UHFFFAOYSA-N	0	3	312.457	2.875	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000171741405	426209430	/nfs/dbraw/zinc/20/94/30/426209430.db2.gz	ZJGLPWNOUCPUKU-UHFFFAOYSA-N	0	3	318.808	2.984	20	30		DFEDHN
N#Cc1cnc2c(F)cc(F)cc2c1N1CCN2CCC[C@@H]2C1	ZINC000171819726	426213635	/nfs/dbraw/zinc/21/36/35/426213635.db2.gz	BVIDQIYVVKZLGQ-CYBMUJFWSA-N	0	3	314.339	2.669	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(-c3ncco3)ccc2C)CC1	ZINC000089617361	426299372	/nfs/dbraw/zinc/29/93/72/426299372.db2.gz	CAZCCTXMVVCQIM-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
C=C(C)COc1cc(CNCC(C)(C)C(=O)NC)ccc1OC	ZINC000120138747	426307148	/nfs/dbraw/zinc/30/71/48/426307148.db2.gz	VVKUSWZRTRDGDX-UHFFFAOYSA-N	0	3	320.433	2.512	20	30		DFEDHN
CSC[C@@](C)(O)CNCc1cccc(OCCCC#N)c1	ZINC000120680959	426313930	/nfs/dbraw/zinc/31/39/30/426313930.db2.gz	BDJBVQGKMRKGME-INIZCTEOSA-N	0	3	308.447	2.573	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)CCc1ccccc1	ZINC000151966790	426321218	/nfs/dbraw/zinc/32/12/18/426321218.db2.gz	MRLUZWPXEUMJRZ-MRXNPFEDSA-N	0	3	315.461	2.996	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000090451172	426327752	/nfs/dbraw/zinc/32/77/52/426327752.db2.gz	KPXNLACJNDTZIM-ZDUSSCGKSA-N	0	3	306.406	2.897	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)CCN1C	ZINC000176088630	426350653	/nfs/dbraw/zinc/35/06/53/426350653.db2.gz	HMNRKIRCMRSPMY-BXUZGUMPSA-N	0	3	304.369	2.644	20	30		DFEDHN
C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccccc1	ZINC000122429197	426375472	/nfs/dbraw/zinc/37/54/72/426375472.db2.gz	LPRAYBWQPLQPBX-IBGZPJMESA-N	0	3	322.412	2.671	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)Oc2cccc(C)c2)CC1	ZINC000176522827	426390362	/nfs/dbraw/zinc/39/03/62/426390362.db2.gz	IGRLHVWWRGSSTJ-SFHVURJKSA-N	0	3	316.445	2.919	20	30		DFEDHN
COCc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1	ZINC000123232640	426421551	/nfs/dbraw/zinc/42/15/51/426421551.db2.gz	HJFPEOLIABITHV-UHFFFAOYSA-N	0	3	306.369	2.642	20	30		DFEDHN
COCCOC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1	ZINC000154052495	426421577	/nfs/dbraw/zinc/42/15/77/426421577.db2.gz	HRSCQPPGKJMWFD-INIZCTEOSA-N	0	3	307.821	2.676	20	30		DFEDHN
CCC(CC)[C@H](CNCc1ccc(C#N)s1)N1CCOCC1	ZINC000176945929	426427657	/nfs/dbraw/zinc/42/76/57/426427657.db2.gz	JSIXFVKJTMOFQH-KRWDZBQOSA-N	0	3	321.490	2.846	20	30		DFEDHN
CN(C)CCOc1cccc(CNCc2ccc(C#N)s2)c1	ZINC000176949562	426427852	/nfs/dbraw/zinc/42/78/52/426427852.db2.gz	FGVOLNCPFNNSPZ-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
C[C@@](O)(CNCc1ccc(C#N)s1)c1ccc(F)cc1F	ZINC000176970009	426429832	/nfs/dbraw/zinc/42/98/32/426429832.db2.gz	FATCNAGJZJBBDN-OAHLLOKOSA-N	0	3	308.353	2.895	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000154303233	426434758	/nfs/dbraw/zinc/43/47/58/426434758.db2.gz	YMQHGODUDDNWRE-AWEZNQCLSA-N	0	3	307.463	2.788	20	30		DFEDHN
N#Cc1csc(CNCCNC(=O)c2ccccc2Cl)c1	ZINC000177700170	426507876	/nfs/dbraw/zinc/50/78/76/426507876.db2.gz	ATJVOPQCFZOFSW-UHFFFAOYSA-N	0	3	319.817	2.793	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000280179246	426512925	/nfs/dbraw/zinc/51/29/25/426512925.db2.gz	YCBFNEYUVKDWLB-XOYOTBSWSA-N	0	3	316.445	2.775	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)C2(C#N)CCCC2)CCN1Cc1ccccc1	ZINC000288205988	426517519	/nfs/dbraw/zinc/51/75/19/426517519.db2.gz	MMFYRWKVDYHEKW-NVXWUHKLSA-N	0	3	311.429	2.850	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2cc(C#N)ccc2F)CC1	ZINC000186416339	426522059	/nfs/dbraw/zinc/52/20/59/426522059.db2.gz	NAEATSCWEZEEFG-LBPRGKRZSA-N	0	3	319.380	2.654	20	30		DFEDHN
CO[C@@]1(C)CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000280229450	426526609	/nfs/dbraw/zinc/52/66/09/426526609.db2.gz	AJCLNDYQHYOTOZ-KDOFPFPSSA-N	0	3	315.417	2.776	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280283581	426539347	/nfs/dbraw/zinc/53/93/47/426539347.db2.gz	ZAZCVBMESLYDLW-WFASDCNBSA-N	0	3	324.409	2.883	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCCc3occc3C2)cc1	ZINC000288869660	426544447	/nfs/dbraw/zinc/54/44/47/426544447.db2.gz	QJFDBKPQQSZOCL-UHFFFAOYSA-N	0	3	309.369	2.928	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccncc2)CC1	ZINC000264386115	426545755	/nfs/dbraw/zinc/54/57/55/426545755.db2.gz	MFFSYZNQZVTEMQ-UHFFFAOYSA-N	0	3	316.449	2.654	20	30		DFEDHN
N#Cc1ccc(CNCCCOCCOCc2ccccc2)o1	ZINC000272519301	426547257	/nfs/dbraw/zinc/54/72/57/426547257.db2.gz	ISLWBCFCXYULPV-UHFFFAOYSA-N	0	3	314.385	2.864	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000272525398	426548691	/nfs/dbraw/zinc/54/86/91/426548691.db2.gz	DSEPQEYXZJTVJX-YOEHRIQHSA-N	0	3	317.433	2.502	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cccc(OC)c2)CC1	ZINC000264408781	426549007	/nfs/dbraw/zinc/54/90/07/426549007.db2.gz	SQTZQVUOGILOMB-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)c2ccc(OC)cc2)CC1	ZINC000264432026	426551013	/nfs/dbraw/zinc/55/10/13/426551013.db2.gz	ATIOAFHDCHSSSK-CQSZACIVSA-N	0	3	302.418	2.565	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(N(C)c2cccnn2)CC1	ZINC000186206646	426494053	/nfs/dbraw/zinc/49/40/53/426494053.db2.gz	OCBZHXLRZVBZNJ-UHFFFAOYSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)OC2CCCCCC2)CC1	ZINC000177551519	426494968	/nfs/dbraw/zinc/49/49/68/426494968.db2.gz	LGPFZRVFVYGKDF-OAHLLOKOSA-N	0	3	308.466	2.881	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C(=O)OCC)cn2)CC1	ZINC000264507803	426565164	/nfs/dbraw/zinc/56/51/64/426565164.db2.gz	SACSOCFWVJOUJV-UHFFFAOYSA-N	0	3	303.406	2.711	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000264512323	426566584	/nfs/dbraw/zinc/56/65/84/426566584.db2.gz	UAKYMHCEVLXHTI-INIZCTEOSA-N	0	3	312.417	2.959	20	30		DFEDHN
C#CCCOc1ccc(CNCCN(C)CC(F)(F)F)cc1	ZINC000264939908	426579649	/nfs/dbraw/zinc/57/96/49/426579649.db2.gz	FWQVGHRQEPYUJY-UHFFFAOYSA-N	0	3	314.351	2.672	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(OC)c(C#N)c2)CCCC1	ZINC000280472345	426581208	/nfs/dbraw/zinc/58/12/08/426581208.db2.gz	PBQRLJGENYYDTP-UHFFFAOYSA-N	0	3	302.374	2.532	20	30		DFEDHN
CC(C)[C@@H](O)CNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000265223388	426600759	/nfs/dbraw/zinc/60/07/59/426600759.db2.gz	HNJXZFMNRFISIJ-KRWDZBQOSA-N	0	3	312.417	2.570	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1c1nc(C(F)(F)F)ccc1C#N	ZINC000265256777	426607001	/nfs/dbraw/zinc/60/70/01/426607001.db2.gz	RPPBFJVMZJHRFS-JQWIXIFHSA-N	0	3	310.323	2.645	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3cc(C)ccc32)CC1	ZINC000264452263	426556359	/nfs/dbraw/zinc/55/63/59/426556359.db2.gz	YUOXVFOZBDWICH-GOSISDBHSA-N	0	3	313.445	2.932	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2c(C)cccc2C)CC1	ZINC000264460971	426558079	/nfs/dbraw/zinc/55/80/79/426558079.db2.gz	GAFQBUAJUMIJQF-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccc(F)c(F)c1	ZINC000289402247	426647985	/nfs/dbraw/zinc/64/79/85/426647985.db2.gz	GSDZFNZASDEYLJ-UHFFFAOYSA-N	0	3	319.355	2.993	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccncc2C(=O)OCC)CC1	ZINC000280804136	426659650	/nfs/dbraw/zinc/65/96/50/426659650.db2.gz	WEALASDFXDXHHZ-UHFFFAOYSA-N	0	3	303.406	2.711	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2	ZINC000273427756	426661675	/nfs/dbraw/zinc/66/16/75/426661675.db2.gz	KLQXSYOPBAWPQT-CYBMUJFWSA-N	0	3	323.458	2.522	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000187509386	426666612	/nfs/dbraw/zinc/66/66/12/426666612.db2.gz	PGHXBKYBJHOOMB-QGZVFWFLSA-N	0	3	303.450	2.970	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1	ZINC000280838892	426667923	/nfs/dbraw/zinc/66/79/23/426667923.db2.gz	XESDGCZFOSZSFN-LBPRGKRZSA-N	0	3	303.406	2.700	20	30		DFEDHN
CC[C@H](COC)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000265717055	426679146	/nfs/dbraw/zinc/67/91/46/426679146.db2.gz	YSXINGUAMKNIJA-OAHLLOKOSA-N	0	3	306.406	2.892	20	30		DFEDHN
C=C[C@@H](C)NCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000237061969	426689711	/nfs/dbraw/zinc/68/97/11/426689711.db2.gz	NNLXDQCWZNQDEY-KGLIPLIRSA-N	0	3	320.433	2.605	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NCC(F)(F)F)c1ccccc1	ZINC000178758161	426687987	/nfs/dbraw/zinc/68/79/87/426687987.db2.gz	OMPCWNFHPVDMCS-ZDUSSCGKSA-N	0	3	300.324	2.962	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC3(C2)CCCCC3)cc1	ZINC000273711958	426711721	/nfs/dbraw/zinc/71/17/21/426711721.db2.gz	QAQCDFPJJYMYAE-INIZCTEOSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(CC)CC	ZINC000274138598	426718060	/nfs/dbraw/zinc/71/80/60/426718060.db2.gz	JLTQNZBHJNPLNZ-MRXNPFEDSA-N	0	3	317.433	2.661	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)c1ccc(C#N)cc1)CC2	ZINC000265961409	426718846	/nfs/dbraw/zinc/71/88/46/426718846.db2.gz	JDCQMFJFRANDKC-FHLIZLRMSA-N	0	3	314.429	2.871	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000188068003	426720024	/nfs/dbraw/zinc/72/00/24/426720024.db2.gz	BMXOTQMWWMVKKM-HNNXBMFYSA-N	0	3	315.417	2.504	20	30		DFEDHN
Cc1nn(C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000187776064	426693190	/nfs/dbraw/zinc/69/31/90/426693190.db2.gz	MSYYRIXRSSUYQJ-UHFFFAOYSA-N	0	3	309.417	2.677	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)[C@H](C1CC1)N1CCCC1	ZINC000273631724	426699845	/nfs/dbraw/zinc/69/98/45/426699845.db2.gz	QTRKGIHLCZCJFI-KRWDZBQOSA-N	0	3	302.418	2.711	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@](C)(C(=O)NC)C2)cc1Cl	ZINC000281047513	426700494	/nfs/dbraw/zinc/70/04/94/426700494.db2.gz	HPPLQUZAMQCFAG-KRWDZBQOSA-N	0	3	322.836	2.863	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@@H](C)C1	ZINC000245816647	426773913	/nfs/dbraw/zinc/77/39/13/426773913.db2.gz	JTLKYRCFTSLFSR-GOEBONIOSA-N	0	3	307.459	2.592	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(OCC#N)c2)CCN1C	ZINC000266375215	426725117	/nfs/dbraw/zinc/72/51/17/426725117.db2.gz	LSVWENQOUGARNW-UKRRQHHQSA-N	0	3	316.405	2.535	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1F	ZINC000290292925	426735267	/nfs/dbraw/zinc/73/52/67/426735267.db2.gz	YCKZHBHWPHXGLN-OAHLLOKOSA-N	0	3	316.380	2.789	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)c(OC)c2)C1	ZINC000281740594	426755784	/nfs/dbraw/zinc/75/57/84/426755784.db2.gz	QJXKPWHPOVSSFL-VVBPWWLESA-N	0	3	320.458	2.736	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000245628645	426757844	/nfs/dbraw/zinc/75/78/44/426757844.db2.gz	HFPIJBYRXZALHQ-HZPDHXFCSA-N	0	3	319.474	2.650	20	30		DFEDHN
C=CCCCN1CCCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC000274417228	426765189	/nfs/dbraw/zinc/76/51/89/426765189.db2.gz	FPKCWAOUOMLPRV-UHFFFAOYSA-N	0	3	302.418	2.696	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nc3ccccc3s2)CC1	ZINC000179645882	426809101	/nfs/dbraw/zinc/80/91/01/426809101.db2.gz	ILDBQBNCHGAWDN-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
CC(C)OCCN1CCC(Nc2ncc(C#N)cc2Cl)CC1	ZINC000267115489	426827083	/nfs/dbraw/zinc/82/70/83/426827083.db2.gz	ZPJFNWDHSPSFGK-UHFFFAOYSA-N	0	3	322.840	2.908	20	30		DFEDHN
CCOC(=O)CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000282141517	426837475	/nfs/dbraw/zinc/83/74/75/426837475.db2.gz	CBDJWDHZAFHNST-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1C#N	ZINC000267189250	426840818	/nfs/dbraw/zinc/84/08/18/426840818.db2.gz	MALBEZFSGOEVHW-SGTLLEGYSA-N	0	3	314.360	2.918	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@H](C)C1	ZINC000246627530	426851986	/nfs/dbraw/zinc/85/19/86/426851986.db2.gz	HOIWHNOPNWGVCH-SOLBZPMBSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(COc3ccccc3)CC2)C1=O	ZINC000281930305	426795537	/nfs/dbraw/zinc/79/55/37/426795537.db2.gz	IACOKGBJDSXZPK-GOSISDBHSA-N	0	3	314.429	2.564	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1	ZINC000291571790	426917326	/nfs/dbraw/zinc/91/73/26/426917326.db2.gz	SXUOWRQMTYAYIK-UHFFFAOYSA-N	0	3	301.390	2.627	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCC(=O)NC23CCC3)c1	ZINC000282637942	426922414	/nfs/dbraw/zinc/92/24/14/426922414.db2.gz	GVDCDPNETOOGJG-INIZCTEOSA-N	0	3	300.402	2.542	20	30		DFEDHN
C=CCOc1cccc(CN2CCS[C@H]3COCC[C@@H]32)c1	ZINC000180454562	426861210	/nfs/dbraw/zinc/86/12/10/426861210.db2.gz	BRZWYWCIZAIHFM-IRXDYDNUSA-N	0	3	305.443	2.958	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1ccc(C#N)cc1	ZINC000268039336	426898675	/nfs/dbraw/zinc/89/86/75/426898675.db2.gz	XMODCKIKBHRYOF-GRDNDAEWSA-N	0	3	314.433	2.601	20	30		DFEDHN
CC(C)N1CCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000180930528	426901388	/nfs/dbraw/zinc/90/13/88/426901388.db2.gz	RSMFUROFZNLDGL-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)c1ccc(C#N)c(F)c1	ZINC000283145952	426963188	/nfs/dbraw/zinc/96/31/88/426963188.db2.gz	HQDRJZCFOUGNKT-IAQYHMDHSA-N	0	3	301.365	2.549	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(OC)ccc1Br	ZINC000320250193	426966873	/nfs/dbraw/zinc/96/68/73/426966873.db2.gz	IBKCZBNZCGMSAS-LBPRGKRZSA-N	0	3	314.223	2.874	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C#N)s1	ZINC000181815163	426981756	/nfs/dbraw/zinc/98/17/56/426981756.db2.gz	CBKZQRRQGCHCNH-QWHCGFSZSA-N	0	3	315.446	2.673	20	30		DFEDHN
C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000268587751	427059540	/nfs/dbraw/zinc/05/95/40/427059540.db2.gz	FAURJXZPTOLTPI-CXAGYDPISA-N	0	3	324.380	2.714	20	30		DFEDHN
C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000268587760	427060516	/nfs/dbraw/zinc/06/05/16/427060516.db2.gz	FAURJXZPTOLTPI-SUMWQHHRSA-N	0	3	324.380	2.714	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337841310	426995552	/nfs/dbraw/zinc/99/55/52/426995552.db2.gz	FRBNUWOFLLOYDG-OAHLLOKOSA-N	0	3	315.421	2.501	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000337855159	427003655	/nfs/dbraw/zinc/00/36/55/427003655.db2.gz	KWTPNHPOHPXKOR-GOSISDBHSA-N	0	3	307.397	2.899	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nccs1	ZINC000328843925	427004663	/nfs/dbraw/zinc/00/46/63/427004663.db2.gz	QVVHWGDVJKLJHA-PTOFAABTSA-N	0	3	308.407	2.607	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cnc2onc(C)c2c1	ZINC000329182562	427061783	/nfs/dbraw/zinc/06/17/83/427061783.db2.gz	FGFJFAJHAQIDLR-ZDUSSCGKSA-N	0	3	302.378	2.710	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)CCNC(=O)c2ccsc2)C1	ZINC000328911489	427012833	/nfs/dbraw/zinc/01/28/33/427012833.db2.gz	OFUIGNGAQKVSPX-ZDUSSCGKSA-N	0	3	309.435	2.884	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)cc1	ZINC000248710150	427034625	/nfs/dbraw/zinc/03/46/25/427034625.db2.gz	MRXVQBJPAYJMPE-UXHICEINSA-N	0	3	320.392	2.723	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000248749080	427039913	/nfs/dbraw/zinc/03/99/13/427039913.db2.gz	FQLHWMLKUQXEBZ-GUTXKFCHSA-N	0	3	306.431	2.823	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268518480	427040218	/nfs/dbraw/zinc/04/02/18/427040218.db2.gz	UIBLDNFSEUDVTD-CYBMUJFWSA-N	0	3	303.366	2.538	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000248789282	427042211	/nfs/dbraw/zinc/04/22/11/427042211.db2.gz	IQHQRWAXIACMEP-DOTOQJQBSA-N	0	3	301.434	2.724	20	30		DFEDHN
O=C(NCC1(N2CCCC2)CCOCC1)c1cc(C2CC2)on1	ZINC000329112423	427044678	/nfs/dbraw/zinc/04/46/78/427044678.db2.gz	RIIOTSXXWKMOAS-UHFFFAOYSA-N	0	3	319.405	2.502	20	30		DFEDHN
CC1CCN(CCNC(=O)c2ccc3nsnc3c2)CC1	ZINC000329117570	427045796	/nfs/dbraw/zinc/04/57/96/427045796.db2.gz	UOLBUWJXEQGEGH-UHFFFAOYSA-N	0	3	304.419	2.728	20	30		DFEDHN
C#CCCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268530013	427046773	/nfs/dbraw/zinc/04/67/73/427046773.db2.gz	INKGSHFEISPFFL-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)CCO1	ZINC000329139250	427052094	/nfs/dbraw/zinc/05/20/94/427052094.db2.gz	FEPFWXRKPXRLPJ-PVAVHDDUSA-N	0	3	324.465	2.790	20	30		DFEDHN
CO[C@H](C)c1nc(C)c(C(=O)NCC2=CCN(C)CC2)s1	ZINC000329211752	427064593	/nfs/dbraw/zinc/06/45/93/427064593.db2.gz	HHPNZHUSDOWCCY-LLVKDONJSA-N	0	3	309.435	2.725	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3ncc[nH]3)CC2)c1	ZINC000268624048	427070492	/nfs/dbraw/zinc/07/04/92/427070492.db2.gz	ASBPIZQIMZCTRC-UHFFFAOYSA-N	0	3	310.401	2.930	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CCCOc3ccccc3)C2)nc1	ZINC000292100090	427088155	/nfs/dbraw/zinc/08/81/55/427088155.db2.gz	GIXZIQNDWXZJTL-GOSISDBHSA-N	0	3	323.396	2.875	20	30		DFEDHN
CC[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1nccs1	ZINC000329325942	427094067	/nfs/dbraw/zinc/09/40/67/427094067.db2.gz	WJNPSYZTIZSLKA-AAEUAGOBSA-N	0	3	308.451	2.748	20	30		DFEDHN
C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)C1=CCN(C)CC1	ZINC000329356317	427098197	/nfs/dbraw/zinc/09/81/97/427098197.db2.gz	WDSCHTZYALJUCK-AAEUAGOBSA-N	0	3	321.446	2.950	20	30		DFEDHN
Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292125284	427099873	/nfs/dbraw/zinc/09/98/73/427099873.db2.gz	RULBTTIXKDPMKS-QGZVFWFLSA-N	0	3	323.396	2.929	20	30		DFEDHN
Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292125284	427099878	/nfs/dbraw/zinc/09/98/78/427099878.db2.gz	RULBTTIXKDPMKS-QGZVFWFLSA-N	0	3	323.396	2.929	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCC(=O)N2	ZINC000276566615	427100756	/nfs/dbraw/zinc/10/07/56/427100756.db2.gz	AUAFNXRCMZAUQE-GFCCVEGCSA-N	0	3	308.385	2.632	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)c2cnn(C)c2-c2ccccc2)C1	ZINC000329383694	427103923	/nfs/dbraw/zinc/10/39/23/427103923.db2.gz	OQLILZRPNWPUIC-OAHLLOKOSA-N	0	3	312.417	2.876	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)CC(=O)N1	ZINC000329432071	427116535	/nfs/dbraw/zinc/11/65/35/427116535.db2.gz	KTNOXPITXHBEQZ-SLBVQIDZSA-N	0	3	315.417	2.796	20	30		DFEDHN
Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1C1CCOCC1	ZINC000329485911	427126053	/nfs/dbraw/zinc/12/60/53/427126053.db2.gz	SUWOZMRTUJUTHQ-CQSZACIVSA-N	0	3	306.410	2.506	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000249548313	427126651	/nfs/dbraw/zinc/12/66/51/427126651.db2.gz	GYVMBFVPTXXWQI-OLZOCXBDSA-N	0	3	303.381	2.548	20	30		DFEDHN
CC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1nc(C)cs1	ZINC000329490597	427128150	/nfs/dbraw/zinc/12/81/50/427128150.db2.gz	YUFFTQHQRFUVSU-AAEUAGOBSA-N	0	3	308.451	2.643	20	30		DFEDHN
CC(C)n1cnnc1SCC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329507691	427132152	/nfs/dbraw/zinc/13/21/52/427132152.db2.gz	LWZKOTNSWAQXBB-LBPRGKRZSA-N	0	3	323.466	2.558	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000338086845	427135016	/nfs/dbraw/zinc/13/50/16/427135016.db2.gz	OBHJMGAYHZUMJC-SFHVURJKSA-N	0	3	321.424	2.769	20	30		DFEDHN
Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@H](C2CC2)C1	ZINC000329542703	427137942	/nfs/dbraw/zinc/13/79/42/427137942.db2.gz	DXYLEFSCJPQJTG-CJNGLKHVSA-N	0	3	304.438	2.864	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)ncc2C1	ZINC000329539468	427138617	/nfs/dbraw/zinc/13/86/17/427138617.db2.gz	WALLWLADZKIODS-LSDHHAIUSA-N	0	3	304.438	2.585	20	30		DFEDHN
C[C@](O)(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000329554423	427140106	/nfs/dbraw/zinc/14/01/06/427140106.db2.gz	BEXVQOLAGZJMPG-LPHOPBHVSA-N	0	3	316.445	2.954	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1	ZINC000329587168	427148365	/nfs/dbraw/zinc/14/83/65/427148365.db2.gz	XFHPHCKSRRLZGA-YQYZPQCESA-N	0	3	323.481	2.568	20	30		DFEDHN
CC#CCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190636475	427151290	/nfs/dbraw/zinc/15/12/90/427151290.db2.gz	FIDWRIIECQHVFB-GOSISDBHSA-N	0	3	313.445	2.556	20	30		DFEDHN
C=CCN1CCC(N[C@H](COC)c2ccc(F)c(F)c2)CC1	ZINC000182868901	427159988	/nfs/dbraw/zinc/15/99/88/427159988.db2.gz	MCWXFDYBGVJYHN-QGZVFWFLSA-N	0	3	310.388	2.892	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@H](C)N(C2CC2)C1=O)C(C)C	ZINC000277333814	427167041	/nfs/dbraw/zinc/16/70/41/427167041.db2.gz	MRGBSERUUNGEAA-GOEBONIOSA-N	0	3	319.449	2.500	20	30		DFEDHN
CC[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1	ZINC000284281714	427171397	/nfs/dbraw/zinc/17/13/97/427171397.db2.gz	JVTHYMNTWURRMH-YESZJQIVSA-N	0	3	304.434	2.757	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000252644180	427191292	/nfs/dbraw/zinc/19/12/92/427191292.db2.gz	NNPIFMCZIDWNQP-WMZOPIPTSA-N	0	3	300.402	2.564	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1	ZINC000183113506	427201441	/nfs/dbraw/zinc/20/14/41/427201441.db2.gz	DPEZKRXUNFETNK-ZETOZRRWSA-N	0	3	321.808	2.696	20	30		DFEDHN
C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000183113487	427201616	/nfs/dbraw/zinc/20/16/16/427201616.db2.gz	DPEZKRXUNFETNK-PGUXBMHVSA-N	0	3	321.808	2.696	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000253382850	427202398	/nfs/dbraw/zinc/20/23/98/427202398.db2.gz	JLUNTNZRJHPLQK-JZXOWHBKSA-N	0	3	316.445	2.919	20	30		DFEDHN
Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292876641	427203260	/nfs/dbraw/zinc/20/32/60/427203260.db2.gz	XDDJEZGURIPGMQ-MRXNPFEDSA-N	0	3	309.369	2.621	20	30		DFEDHN
Cc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292876641	427203269	/nfs/dbraw/zinc/20/32/69/427203269.db2.gz	XDDJEZGURIPGMQ-MRXNPFEDSA-N	0	3	309.369	2.621	20	30		DFEDHN
COc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc(C)n1	ZINC000330381732	427224638	/nfs/dbraw/zinc/22/46/38/427224638.db2.gz	NQDUHNUQYAZXDI-OCCSQVGLSA-N	0	3	305.422	2.824	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(OC)c2)C1	ZINC000330466306	427246187	/nfs/dbraw/zinc/24/61/87/427246187.db2.gz	RBIDIXYSJMHBJY-ZFWWWQNUSA-N	0	3	305.422	2.744	20	30		DFEDHN
CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1c(F)cccc1F	ZINC000191074672	427252217	/nfs/dbraw/zinc/25/22/17/427252217.db2.gz	HFSMFOJIQSVNON-MRXNPFEDSA-N	0	3	318.371	2.567	20	30		DFEDHN
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@H](N(C)C)C2)c1	ZINC000330506141	427253328	/nfs/dbraw/zinc/25/33/28/427253328.db2.gz	CGVIGVNTQLRUCL-AWEZNQCLSA-N	0	3	318.421	2.525	20	30		DFEDHN
COc1ccc(CN2CCCC3(CCOCC3)C2)cc1C#N	ZINC000269704247	427254258	/nfs/dbraw/zinc/25/42/58/427254258.db2.gz	MVRAPXVNRRIUJV-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
CC(C)Oc1cccc([C@H](O)CNCc2cc(C#N)n(C)c2)c1	ZINC000191104329	427256784	/nfs/dbraw/zinc/25/67/84/427256784.db2.gz	VWBIIRVFPLBDKK-GOSISDBHSA-N	0	3	313.401	2.507	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](COC)C1CC1	ZINC000269714863	427257657	/nfs/dbraw/zinc/25/76/57/427257657.db2.gz	RGTKJZSOSUOKRF-CZUORRHYSA-N	0	3	322.474	2.666	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000269762014	427272740	/nfs/dbraw/zinc/27/27/40/427272740.db2.gz	JYPRGNVNKOCMDT-RHSMWYFYSA-N	0	3	322.412	2.527	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285587084	427281232	/nfs/dbraw/zinc/28/12/32/427281232.db2.gz	HPMREYBXZCQCFG-ABAIWWIYSA-N	0	3	305.809	2.670	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C1=CCN(C)CC1	ZINC000330778052	427303204	/nfs/dbraw/zinc/30/32/04/427303204.db2.gz	UZJIVSFVVVTNPT-SNVBAGLBSA-N	0	3	307.325	2.689	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)NCCCC#N)[C@@H]1c1cccs1	ZINC000330806970	427305244	/nfs/dbraw/zinc/30/52/44/427305244.db2.gz	AFPHPVBOMYKMHZ-UKRRQHHQSA-N	0	3	320.462	2.938	20	30		DFEDHN
CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1F	ZINC000191284846	427309973	/nfs/dbraw/zinc/30/99/73/427309973.db2.gz	YSKCNIKAJRYOFQ-OAHLLOKOSA-N	0	3	301.365	2.983	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C	ZINC000330972766	427320667	/nfs/dbraw/zinc/32/06/67/427320667.db2.gz	NIGKSUVTHUYAKX-MFKMUULPSA-N	0	3	324.356	2.694	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(NCCCN2CCCO[C@H](C)C2)c1	ZINC000277793177	427320906	/nfs/dbraw/zinc/32/09/06/427320906.db2.gz	XHYCVJDIKFUSSG-CQSZACIVSA-N	0	3	315.417	2.674	20	30		DFEDHN
CC(C)Oc1cc(C(=O)NCCN2CCC[C@H](C)C2)ccn1	ZINC000330983781	427323885	/nfs/dbraw/zinc/32/38/85/427323885.db2.gz	QFZBRSYIAJEULK-AWEZNQCLSA-N	0	3	305.422	2.905	20	30		DFEDHN
C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1	ZINC000330994469	427325169	/nfs/dbraw/zinc/32/51/69/427325169.db2.gz	UEQSHLSECYWYGS-SNVBAGLBSA-N	0	3	322.340	2.710	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1	ZINC000270368796	427334621	/nfs/dbraw/zinc/33/46/21/427334621.db2.gz	SVUSCJXONPFWBQ-WMZOPIPTSA-N	0	3	313.445	2.734	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)c2cn(CC(F)(F)F)nc2C)C1	ZINC000331059618	427335549	/nfs/dbraw/zinc/33/55/49/427335549.db2.gz	SNMPJPPTWGFZGY-LLVKDONJSA-N	0	3	318.343	2.543	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1	ZINC000270368777	427335913	/nfs/dbraw/zinc/33/59/13/427335913.db2.gz	SVUSCJXONPFWBQ-AEFFLSMTSA-N	0	3	313.445	2.734	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCN(c2ccccc2)C1	ZINC000191380564	427336860	/nfs/dbraw/zinc/33/68/60/427336860.db2.gz	OOKRIBIPSDSSNC-SFHVURJKSA-N	0	3	308.429	2.998	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NC[C@H]1CCCCN1CC	ZINC000331223794	427374742	/nfs/dbraw/zinc/37/47/42/427374742.db2.gz	WPSTVVQLYYDFPC-CQSZACIVSA-N	0	3	305.422	2.968	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1C#N	ZINC000191560435	427379331	/nfs/dbraw/zinc/37/93/31/427379331.db2.gz	JRWWIKMJVPKFPQ-IAGOWNOFSA-N	0	3	317.339	2.795	20	30		DFEDHN
O=C(NC[C@H]1CCCCN1CCO)c1ccc(F)c(Cl)c1	ZINC000331293091	427393655	/nfs/dbraw/zinc/39/36/55/427393655.db2.gz	BVOXLCWEKSVBSV-GFCCVEGCSA-N	0	3	314.788	2.631	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)c(Cl)c1	ZINC000331296051	427394684	/nfs/dbraw/zinc/39/46/84/427394684.db2.gz	CPRFIRLPLYLJIR-ZDUSSCGKSA-N	0	3	310.825	2.800	20	30		DFEDHN
COc1ncccc1NC(=O)C(C#N)c1nc2ccccc2s1	ZINC000338624651	427414387	/nfs/dbraw/zinc/41/43/87/427414387.db2.gz	GVTVLTVFWGZUDR-SNVBAGLBSA-N	0	3	324.365	2.946	20	30		DFEDHN
COc1ncccc1NC(=O)C(C#N)c1nc2ccccc2s1	ZINC000338624650	427415183	/nfs/dbraw/zinc/41/51/83/427415183.db2.gz	GVTVLTVFWGZUDR-JTQLQIEISA-N	0	3	324.365	2.946	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1F	ZINC000270435409	427355600	/nfs/dbraw/zinc/35/56/00/427355600.db2.gz	JYVQYBJGQUMTRX-YOEHRIQHSA-N	0	3	304.365	2.909	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@@H]3CCCc4c[nH]nc43)CC2)cc1	ZINC000286177459	427447868	/nfs/dbraw/zinc/44/78/68/427447868.db2.gz	QFNZRKWHYXTCLJ-GOSISDBHSA-N	0	3	321.428	2.917	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(CCC(N)=O)CC2)cc1	ZINC000271216410	427456206	/nfs/dbraw/zinc/45/62/06/427456206.db2.gz	WWARPHAAAATHHE-UHFFFAOYSA-N	0	3	314.429	2.566	20	30		DFEDHN
Cn1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1C#N	ZINC000293839776	427457458	/nfs/dbraw/zinc/45/74/58/427457458.db2.gz	HAHVWUUOTWTQMC-GOSISDBHSA-N	0	3	309.413	2.890	20	30		DFEDHN
C#CCn1ccc(CN(CC)[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000297830918	427463379	/nfs/dbraw/zinc/46/33/79/427463379.db2.gz	ZPMXAWFKGBZUDA-HXUWFJFHSA-N	0	3	322.456	2.613	20	30		DFEDHN
CN1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000297850460	427468714	/nfs/dbraw/zinc/46/87/14/427468714.db2.gz	LDZHEJGJXWRFBE-UHFFFAOYSA-N	0	3	312.335	2.574	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cn[nH]c1	ZINC000331655808	427470737	/nfs/dbraw/zinc/47/07/37/427470737.db2.gz	VJEMQYRDUALSJB-IUODEOHRSA-N	0	3	313.380	2.740	20	30		DFEDHN
CC[C@H](NCC(=O)NCCc1ccccc1)c1ccc(C#N)cc1	ZINC000278841745	427474408	/nfs/dbraw/zinc/47/44/08/427474408.db2.gz	UWBPXHSCLZEDHA-IBGZPJMESA-N	0	3	321.424	2.958	20	30		DFEDHN
Cc1nsc(N(C)CCCN(C)Cc2ccco2)c1C#N	ZINC000286334442	427495527	/nfs/dbraw/zinc/49/55/27/427495527.db2.gz	JHTJGSFMYKELKK-UHFFFAOYSA-N	0	3	304.419	2.875	20	30		DFEDHN
C[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)CCS1	ZINC000192183175	427497617	/nfs/dbraw/zinc/49/76/17/427497617.db2.gz	SOUNYONRDIPSKE-LLVKDONJSA-N	0	3	309.460	2.776	20	30		DFEDHN
C[C@H]1CN(C(C)(C)CNCc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000298094865	427519056	/nfs/dbraw/zinc/51/90/56/427519056.db2.gz	QNIAWLGOESBRNA-KBPBESRZSA-N	0	3	319.424	2.675	20	30		DFEDHN
CCc1nnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c(C#N)c1CC	ZINC000286427841	427524498	/nfs/dbraw/zinc/52/44/98/427524498.db2.gz	RPSCCLPTKMKWNC-UONOGXRCSA-N	0	3	313.449	2.536	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C	ZINC000298134126	427526766	/nfs/dbraw/zinc/52/67/66/427526766.db2.gz	YYTPHSHRJUHJDZ-ROUUACIJSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1	ZINC000271421120	427531371	/nfs/dbraw/zinc/53/13/71/427531371.db2.gz	MDFMANHILLCGPK-GOSISDBHSA-N	0	3	315.413	2.864	20	30		DFEDHN
C=CCCCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000279070815	427547997	/nfs/dbraw/zinc/54/79/97/427547997.db2.gz	AJPBYSNLERELTD-CYBMUJFWSA-N	0	3	300.324	2.658	20	30		DFEDHN
Cc1ccc([C@@H](CNc2nccnc2C#N)N2CCCC2)cc1	ZINC000263953267	427619020	/nfs/dbraw/zinc/61/90/20/427619020.db2.gz	ZYIKDGWFGCBZTD-QGZVFWFLSA-N	0	3	307.401	2.906	20	30		DFEDHN
COCCCN1CCC(Nc2ncc(C#N)cc2Cl)CC1	ZINC000263803829	427576763	/nfs/dbraw/zinc/57/67/63/427576763.db2.gz	RBCQMUMIIIYHFE-UHFFFAOYSA-N	0	3	308.813	2.519	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nnc1-c1ccccc1F	ZINC000192624364	427577221	/nfs/dbraw/zinc/57/72/21/427577221.db2.gz	IWKLKHHRULBXKF-UHFFFAOYSA-N	0	3	306.410	2.924	20	30		DFEDHN
COc1cccc(CNCCOc2ccc(C#N)cc2)c1F	ZINC000192689425	427587823	/nfs/dbraw/zinc/58/78/23/427587823.db2.gz	YCLLPXZGIAKMDX-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H]2CCCN2Cc2ccccc2)n1	ZINC000287366136	427588410	/nfs/dbraw/zinc/58/84/10/427588410.db2.gz	QCRMOEDZMDOWJT-QGZVFWFLSA-N	0	3	307.401	2.733	20	30		DFEDHN
C[C@]12CCN(CCC(=O)Nc3ccccc3C#N)C[C@H]1C2(F)F	ZINC000298389209	427594326	/nfs/dbraw/zinc/59/43/26/427594326.db2.gz	VZAWJGQIKQOYTK-ZBFHGGJFSA-N	0	3	319.355	2.864	20	30		DFEDHN
CN1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000272041585	427610541	/nfs/dbraw/zinc/61/05/41/427610541.db2.gz	OVECTJZMLKSWHT-PMACEKPBSA-N	0	3	321.424	2.580	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1	ZINC000339011864	427626015	/nfs/dbraw/zinc/62/60/15/427626015.db2.gz	UVJMBQZYYURQMP-NUJGCVRESA-N	0	3	311.429	2.821	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C	ZINC000263986241	427627415	/nfs/dbraw/zinc/62/74/15/427627415.db2.gz	ICFZYIPRSULFDW-ZDUSSCGKSA-N	0	3	305.381	2.928	20	30		DFEDHN
N#CCCOCCN1CC[C@@H](OCCCc2ccccc2)C1	ZINC000339015642	427627539	/nfs/dbraw/zinc/62/75/39/427627539.db2.gz	AHMXMPFGEWGWFM-GOSISDBHSA-N	0	3	302.418	2.640	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000279316561	427636902	/nfs/dbraw/zinc/63/69/02/427636902.db2.gz	RXWBUUAGLFPHQX-GDBMZVCRSA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000342752655	272051362	/nfs/dbraw/zinc/05/13/62/272051362.db2.gz	LHLLBLPCFIDPMD-YJBOKZPZSA-N	0	3	323.440	2.675	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000279435320	427671469	/nfs/dbraw/zinc/67/14/69/427671469.db2.gz	MTYOQJKHXCKJDI-RDTXWAMCSA-N	0	3	304.434	2.559	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCCC3(CCCC3)C2)cc1	ZINC000333689007	427674953	/nfs/dbraw/zinc/67/49/53/427674953.db2.gz	IXYUKJPKFNQVEX-UHFFFAOYSA-N	0	3	311.429	2.831	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccn1	ZINC000287718851	427675825	/nfs/dbraw/zinc/67/58/25/427675825.db2.gz	LBIYMDPPQSLEBO-LJQANCHMSA-N	0	3	322.412	2.656	20	30		DFEDHN
CCCN1CCC[C@@H]1CNc1nnc(CC)c(CC)c1C#N	ZINC000343931263	272239949	/nfs/dbraw/zinc/23/99/49/272239949.db2.gz	AXYVGRNUZZMIEW-CYBMUJFWSA-N	0	3	301.438	2.759	20	30		DFEDHN
CO[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C	ZINC000272236375	427681399	/nfs/dbraw/zinc/68/13/99/427681399.db2.gz	GJKJMYGIJTWWTD-KRWDZBQOSA-N	0	3	312.417	2.719	20	30		DFEDHN
CCOC(=O)c1csc(CCN[C@@H]2CCC[C@@H](C#N)C2)n1	ZINC000193338789	427685239	/nfs/dbraw/zinc/68/52/39/427685239.db2.gz	WLCNDMKKGWIUOA-VXGBXAGGSA-N	0	3	307.419	2.534	20	30		DFEDHN
Cn1cc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1C#N	ZINC000279501686	427688129	/nfs/dbraw/zinc/68/81/29/427688129.db2.gz	WCZFSIAEGGSQEV-UHFFFAOYSA-N	0	3	323.444	2.809	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1C(C)C)C(C)C	ZINC000193407869	427688256	/nfs/dbraw/zinc/68/82/56/427688256.db2.gz	LLEIAYHYYRTLLF-INIZCTEOSA-N	0	3	318.465	2.962	20	30		DFEDHN
C=CCOCCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000339176907	427718303	/nfs/dbraw/zinc/71/83/03/427718303.db2.gz	VNNKYFVMBWQABC-LBPRGKRZSA-N	0	3	317.355	2.821	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1	ZINC000299720775	427766740	/nfs/dbraw/zinc/76/67/40/427766740.db2.gz	SHGPQPHQFIAAJA-UHFFFAOYSA-N	0	3	319.361	2.582	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000287984596	427725376	/nfs/dbraw/zinc/72/53/76/427725376.db2.gz	ARRZDGQKCRDWRE-KSSFIOAISA-N	0	3	321.428	2.979	20	30		DFEDHN
N#CC1(C(=O)N2CCCN(CC3CCC3)CC2)CCCCC1	ZINC000339203054	427729620	/nfs/dbraw/zinc/72/96/20/427729620.db2.gz	STEXEAKVKGFRJV-UHFFFAOYSA-N	0	3	303.450	2.795	20	30		DFEDHN
CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)[C@H]2C1	ZINC000337030286	427789904	/nfs/dbraw/zinc/78/99/04/427789904.db2.gz	XXYFNVOFKPFSRA-GWCFXTLKSA-N	0	3	310.323	2.502	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)NCCCC#N)[C@@H]1c1cccs1	ZINC000334035908	427731805	/nfs/dbraw/zinc/73/18/05/427731805.db2.gz	AFPHPVBOMYKMHZ-DZGCQCFKSA-N	0	3	320.462	2.734	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccco2)C1	ZINC000339225957	427737427	/nfs/dbraw/zinc/73/74/27/427737427.db2.gz	RDXUYRBKURHHJC-AEFFLSMTSA-N	0	3	324.380	2.952	20	30		DFEDHN
CN(CCN1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1	ZINC000301385238	427792935	/nfs/dbraw/zinc/79/29/35/427792935.db2.gz	VLEPBZBSBHWQMB-UHFFFAOYSA-N	0	3	320.440	2.817	20	30		DFEDHN
C=CCN1CC[C@H](N(Cc2ccc(C#N)cc2)CC(C)C)C1=O	ZINC000337122180	427801706	/nfs/dbraw/zinc/80/17/06/427801706.db2.gz	BDIOUAWJQITUIW-SFHVURJKSA-N	0	3	311.429	2.803	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC[C@@H]2Cc2ccc(F)cc2)C1=O	ZINC000337140524	427804600	/nfs/dbraw/zinc/80/46/00/427804600.db2.gz	RFHNVGDWOWYGHG-IAGOWNOFSA-N	0	3	302.393	2.620	20	30		DFEDHN
CCN1CCC[C@@H]1CN(Cc1ccncc1)c1ccc(C#N)cn1	ZINC000301573737	427806459	/nfs/dbraw/zinc/80/64/59/427806459.db2.gz	SAIMIFZWRSRXLZ-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
COC(=O)C1(N(C)CCCC2(C#N)CCOCC2)CCCC1	ZINC000337172533	427809386	/nfs/dbraw/zinc/80/93/86/427809386.db2.gz	FLQNUMVGPVEZQS-UHFFFAOYSA-N	0	3	308.422	2.505	20	30		DFEDHN
CCc1nnc(N[C@H](C)CN2CCCCC2)c(C#N)c1CC	ZINC000301621664	427809989	/nfs/dbraw/zinc/80/99/89/427809989.db2.gz	NMORMNUZTGQDFB-CYBMUJFWSA-N	0	3	301.438	2.759	20	30		DFEDHN
CCc1nnc(NCCN2CCCCCC2)c(C#N)c1CC	ZINC000301614413	427809996	/nfs/dbraw/zinc/80/99/96/427809996.db2.gz	HZMVZSQKXWNWCH-UHFFFAOYSA-N	0	3	301.438	2.761	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337185830	427811279	/nfs/dbraw/zinc/81/12/79/427811279.db2.gz	PCEDGHHYQLILDN-CRAIPNDOSA-N	0	3	316.445	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](C)C[C@H]2c2cccc(OC)c2)C1=O	ZINC000337206634	427815559	/nfs/dbraw/zinc/81/55/59/427815559.db2.gz	MXTCNJAYEZKGPG-JLSDUUJJSA-N	0	3	314.429	2.865	20	30		DFEDHN
OC[C@]1([C@H](NCC#Cc2ccccc2Cl)C2CC2)CCCO1	ZINC000339760152	427823805	/nfs/dbraw/zinc/82/38/05/427823805.db2.gz	VDJUSWHUJQYWPT-MSOLQXFVSA-N	0	3	319.832	2.601	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000355644751	427834684	/nfs/dbraw/zinc/83/46/84/427834684.db2.gz	WUOFLCYKWUREAM-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
CCC[C@@H]1CN(c2cc(C)nc(C)c2C#N)CCN1CCOC	ZINC000301911928	427840098	/nfs/dbraw/zinc/84/00/98/427840098.db2.gz	GTQMYFUNJWMXQL-MRXNPFEDSA-N	0	3	316.449	2.507	20	30		DFEDHN
CCN(CC)[C@@H](CNc1ccc(C#N)nn1)c1ccsc1	ZINC000301935290	427843492	/nfs/dbraw/zinc/84/34/92/427843492.db2.gz	QVENTFPFQMCESR-AWEZNQCLSA-N	0	3	301.419	2.905	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)nn2)CC1	ZINC000301952792	427846576	/nfs/dbraw/zinc/84/65/76/427846576.db2.gz	CJSVZDVJFCRVBP-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1C	ZINC000337359394	427862913	/nfs/dbraw/zinc/86/29/13/427862913.db2.gz	GYFVUCJWRWTDCW-UONOGXRCSA-N	0	3	300.406	2.943	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)CCCCC1	ZINC000302752755	427864505	/nfs/dbraw/zinc/86/45/05/427864505.db2.gz	NLAFFQAVIHEACN-JKSUJKDBSA-N	0	3	303.450	2.984	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)c1cncc(Cl)n1	ZINC000302857640	427879579	/nfs/dbraw/zinc/87/95/79/427879579.db2.gz	MSLZFPQJOIXBDY-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1	ZINC000359534085	427895470	/nfs/dbraw/zinc/89/54/70/427895470.db2.gz	BFKGLLWMMXCWET-MPTYRVRUSA-N	0	3	320.433	2.806	20	30		DFEDHN
CC1(C)CCC[C@]1(O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000355813454	427907025	/nfs/dbraw/zinc/90/70/25/427907025.db2.gz	PBYHNIUZRXUJMN-LPHOPBHVSA-N	0	3	314.429	2.816	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3C[C@H]2C)CC1	ZINC000350025619	427924554	/nfs/dbraw/zinc/92/45/54/427924554.db2.gz	GHNCFLOWTGTSRZ-RDTXWAMCSA-N	0	3	313.445	2.870	20	30		DFEDHN
Cc1cc(-c2noc([C@H](C)NC(=O)C(C)C#N)n2)ccc1F	ZINC000350631614	427961359	/nfs/dbraw/zinc/96/13/59/427961359.db2.gz	JPKOWDSRNQUUHR-ZJUUUORDSA-N	0	3	302.309	2.521	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000350729557	427967360	/nfs/dbraw/zinc/96/73/60/427967360.db2.gz	LIHJQXFOUBIHDX-DZGCQCFKSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=C(Cl)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000369491111	427979358	/nfs/dbraw/zinc/97/93/58/427979358.db2.gz	GCZOQOAPJJTNCY-AWEZNQCLSA-N	0	3	310.800	2.906	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000341115091	427994107	/nfs/dbraw/zinc/99/41/07/427994107.db2.gz	DBQKCZVUWQKAAU-GOEBONIOSA-N	0	3	317.433	2.533	20	30		DFEDHN
CCN1CCN(c2ccccc2CN[C@H]2CCC[C@@H]2C#N)CC1	ZINC000350454819	427939076	/nfs/dbraw/zinc/93/90/76/427939076.db2.gz	FYVSJSRKXRVINZ-AEFFLSMTSA-N	0	3	312.461	2.610	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@]2(OC)CCOC2)ccc1OC	ZINC000359616906	427939055	/nfs/dbraw/zinc/93/90/55/427939055.db2.gz	DTKWXVGCMYNRFY-GOSISDBHSA-N	0	3	321.417	2.545	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(Br)cc1F	ZINC000341256495	428028677	/nfs/dbraw/zinc/02/86/77/428028677.db2.gz	IZOJDSQLKXHPAJ-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
Cc1nn(C)c(C)c1CCCNCc1ccc(C#N)cc1F	ZINC000341273854	428032731	/nfs/dbraw/zinc/03/27/31/428032731.db2.gz	XXACCWPWAPXVDH-UHFFFAOYSA-N	0	3	300.381	2.770	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(Br)ccc1F	ZINC000341276385	428032775	/nfs/dbraw/zinc/03/27/75/428032775.db2.gz	ZRPDBPXMXGISDN-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1	ZINC000376971879	428035517	/nfs/dbraw/zinc/03/55/17/428035517.db2.gz	NSTHLQIIOILDAX-QFBILLFUSA-N	0	3	323.444	2.811	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000369709841	428040894	/nfs/dbraw/zinc/04/08/94/428040894.db2.gz	UFRUDPQAHVCKOM-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
CC[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000413408583	428042326	/nfs/dbraw/zinc/04/23/26/428042326.db2.gz	IGIVLMCFNORTJY-QWHCGFSZSA-N	0	3	313.323	2.726	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000369741044	428048032	/nfs/dbraw/zinc/04/80/32/428048032.db2.gz	KGUTXBBUXRTOKS-HZPDHXFCSA-N	0	3	313.445	2.923	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C1CC1	ZINC000413262640	428005493	/nfs/dbraw/zinc/00/54/93/428005493.db2.gz	HJJRLUNTAKVEDJ-MRXNPFEDSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=CCN(CCOC)c1ccnc2cc(OC)c(OC)cc21	ZINC000413270450	428007691	/nfs/dbraw/zinc/00/76/91/428007691.db2.gz	VJUHRYYNXCHJHE-UHFFFAOYSA-N	0	3	302.374	2.891	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000413308130	428017486	/nfs/dbraw/zinc/01/74/86/428017486.db2.gz	CBPBWVDJFKCKFV-JQHSSLGASA-N	0	3	315.461	2.956	20	30		DFEDHN
C#CCOc1ccc(C(=O)N2CCCN(CC(C)C)CC2)cc1	ZINC000369625480	428018726	/nfs/dbraw/zinc/01/87/26/428018726.db2.gz	KPJRIPDCVABVPA-UHFFFAOYSA-N	0	3	314.429	2.503	20	30		DFEDHN
Cc1cc(C)cc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1	ZINC000359911746	428072569	/nfs/dbraw/zinc/07/25/69/428072569.db2.gz	MGOYUXONBMZYGY-AWEZNQCLSA-N	0	3	310.313	2.853	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](N3CCOCC3)[C@@H]2C)cc1	ZINC000356256547	428090768	/nfs/dbraw/zinc/09/07/68/428090768.db2.gz	JVNJPFMFFSXXNJ-LPHOPBHVSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCCN1[C@H](C)CCC[C@H]1C	ZINC000341524736	428090843	/nfs/dbraw/zinc/09/08/43/428090843.db2.gz	BHZBIPXXMAWOPN-HUUCEWRRSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)cc1	ZINC000356256550	428090989	/nfs/dbraw/zinc/09/09/89/428090989.db2.gz	JVNJPFMFFSXXNJ-VQIMIIECSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](N2CCOCC2)[C@@H]1C	ZINC000356258024	428091653	/nfs/dbraw/zinc/09/16/53/428091653.db2.gz	LNODIGITAUCVIA-FUHWJXTLSA-N	0	3	316.445	2.546	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)Cc1nc(C#N)cs1	ZINC000356305673	428116103	/nfs/dbraw/zinc/11/61/03/428116103.db2.gz	QCMQBFQHNVRPGQ-UHFFFAOYSA-N	0	3	306.460	2.640	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1	ZINC000413814615	428140135	/nfs/dbraw/zinc/14/01/35/428140135.db2.gz	FPPYYSKOHZIMKV-IRXDYDNUSA-N	0	3	301.434	2.519	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1C#N	ZINC000370219298	428160988	/nfs/dbraw/zinc/16/09/88/428160988.db2.gz	AHFFSHURAZYBCM-GOSISDBHSA-N	0	3	311.429	2.957	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCc2cnc3n2CCCC3)cc1	ZINC000370263153	428171746	/nfs/dbraw/zinc/17/17/46/428171746.db2.gz	VGTTYXSCMZIURY-UHFFFAOYSA-N	0	3	323.444	2.859	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1)C(C)C	ZINC000370296637	428179249	/nfs/dbraw/zinc/17/92/49/428179249.db2.gz	IAYQCYWMLUIEQP-OFQRWUPVSA-N	0	3	319.474	2.698	20	30		DFEDHN
CN(C)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc2O1	ZINC000370502911	428225344	/nfs/dbraw/zinc/22/53/44/428225344.db2.gz	LVSRVPKAUBNVSU-MRXNPFEDSA-N	0	3	321.380	2.528	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@]3(CC=CCC3)C2)cc1	ZINC000377664585	428187394	/nfs/dbraw/zinc/18/73/94/428187394.db2.gz	CVZNHLPBPNIKIG-HXUWFJFHSA-N	0	3	323.440	2.997	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000356488422	428200605	/nfs/dbraw/zinc/20/06/05/428200605.db2.gz	ZALRCULMSUOLKK-KRWDZBQOSA-N	0	3	301.434	2.873	20	30		DFEDHN
Cn1cc([C@H]2[C@@H](CNc3ccc(C#N)cc3)CCCN2C)cn1	ZINC000377710088	428205110	/nfs/dbraw/zinc/20/51/10/428205110.db2.gz	WMXUEBWIMFWKOZ-CRAIPNDOSA-N	0	3	309.417	2.787	20	30		DFEDHN
CCCCCCCCCN1CCC(S(=O)(=O)NC)CC1	ZINC000370683486	428273092	/nfs/dbraw/zinc/27/30/92/428273092.db2.gz	JSJDBIYOCGZJTG-UHFFFAOYSA-N	0	3	304.500	2.751	20	30		DFEDHN
N#Cc1cccnc1N1CCN(c2ccnc3ccccc32)CC1	ZINC000346616683	428242290	/nfs/dbraw/zinc/24/22/90/428242290.db2.gz	DBDUTCKSZNDAEE-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1cccc2ccccc21	ZINC000360568805	428352508	/nfs/dbraw/zinc/35/25/08/428352508.db2.gz	RPVZGSBNNVYODE-MLGOLLRUSA-N	0	3	310.353	2.720	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1	ZINC000371550836	428395377	/nfs/dbraw/zinc/39/53/77/428395377.db2.gz	DERRTVSJOOGWPD-MJGOQNOKSA-N	0	3	314.429	2.554	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1cncc(Br)c1)C1CC1	ZINC000356913608	428358293	/nfs/dbraw/zinc/35/82/93/428358293.db2.gz	HRLMXTVLEWDKEP-UFBFGSQYSA-N	0	3	308.179	2.571	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1	ZINC000356913606	428359465	/nfs/dbraw/zinc/35/94/65/428359465.db2.gz	HRLMXTVLEWDKEP-QPUJVOFHSA-N	0	3	308.179	2.571	20	30		DFEDHN
C=CCc1cc(CN[C@H]2CCO[C@@H]2C2CC2)cc(OC)c1O	ZINC000371220285	428377506	/nfs/dbraw/zinc/37/75/06/428377506.db2.gz	PWWODSGRGVWAPF-MAUKXSAKSA-N	0	3	303.402	2.786	20	30		DFEDHN
COc1cc(OC)c2ncc(C#N)c(SCCN(C)C)c2c1	ZINC000342540284	428434337	/nfs/dbraw/zinc/43/43/37/428434337.db2.gz	BQVRBBKQNCCAPU-UHFFFAOYSA-N	0	3	317.414	2.777	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000357208875	428435089	/nfs/dbraw/zinc/43/50/89/428435089.db2.gz	QNLSWILFMWDYDZ-PBHICJAKSA-N	0	3	301.434	2.771	20	30		DFEDHN
CCN(CC)C(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000342657743	428438658	/nfs/dbraw/zinc/43/86/58/428438658.db2.gz	GPTAHQHMHQOANZ-UHFFFAOYSA-N	0	3	313.445	2.833	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC([C@H]2CCOC2)CC1	ZINC000378647023	428448629	/nfs/dbraw/zinc/44/86/29/428448629.db2.gz	PYUVFCBTOMEBAJ-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
COCC[C@@H]1CCCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000342764568	428448880	/nfs/dbraw/zinc/44/88/80/428448880.db2.gz	ZXVZLIRNBFOSAE-XYJFISCASA-N	0	3	323.481	2.568	20	30		DFEDHN
C=CCCN(C)CC(=O)N(C)CCCOc1ccc(F)cc1	ZINC000342762870	428449470	/nfs/dbraw/zinc/44/94/70/428449470.db2.gz	GNODPKDFLNQMGN-UHFFFAOYSA-N	0	3	308.397	2.561	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000342366983	428417635	/nfs/dbraw/zinc/41/76/35/428417635.db2.gz	WALYBHSGGSISEL-SZMVWBNQSA-N	0	3	316.445	2.604	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H]2CCCN2Cc2ccccc2)n1	ZINC000342419887	428427742	/nfs/dbraw/zinc/42/77/42/428427742.db2.gz	WMQBXEGEPXLCDS-GOSISDBHSA-N	0	3	306.413	3.338	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CC)N(C)C	ZINC000342477750	428429453	/nfs/dbraw/zinc/42/94/53/428429453.db2.gz	YUCPNRIREDKATG-INIZCTEOSA-N	0	3	306.454	2.709	20	30		DFEDHN
C=CCc1cc(CN(C)[C@H]2CCN(C3CC3)C2)cc(OC)c1O	ZINC000353331827	428490939	/nfs/dbraw/zinc/49/09/39/428490939.db2.gz	WPLCVKXPZRJCMM-KRWDZBQOSA-N	0	3	316.445	2.798	20	30		DFEDHN
Cc1ccc(NC[C@@H]2CCN(C)[C@@H]2c2cccs2)nc1C#N	ZINC000372736891	428496477	/nfs/dbraw/zinc/49/64/77/428496477.db2.gz	FHKNLSKJITXDSX-GUYCJALGSA-N	0	3	312.442	3.428	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000372744882	428499139	/nfs/dbraw/zinc/49/91/39/428499139.db2.gz	VNHBLEDRSCIDAY-CGTJXYLNSA-N	0	3	320.477	2.760	20	30		DFEDHN
Cc1cc(CN2CCC(N(C)CC#Cc3ccccc3)CC2)on1	ZINC000372814317	428502887	/nfs/dbraw/zinc/50/28/87/428502887.db2.gz	ZBVSRTRZYCTZCK-UHFFFAOYSA-N	0	3	323.440	2.931	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)cc1	ZINC000353372823	428510133	/nfs/dbraw/zinc/51/01/33/428510133.db2.gz	INMSWFMZFFZDTO-FUHWJXTLSA-N	0	3	318.461	2.528	20	30		DFEDHN
CC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1	ZINC000398552090	428522846	/nfs/dbraw/zinc/52/28/46/428522846.db2.gz	YCCJCEPTMYHZPZ-IRXDYDNUSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCN1CC[C@@H](N(CCN2CCCCCC2)C2CCC2)C1=O	ZINC000347458981	428583430	/nfs/dbraw/zinc/58/34/30/428583430.db2.gz	SLSSPRRVNWPTMX-GOSISDBHSA-N	0	3	319.493	2.504	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC(C)CC1	ZINC000353543700	428585136	/nfs/dbraw/zinc/58/51/36/428585136.db2.gz	XXNJHOAAFKXVKP-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000353543618	428585156	/nfs/dbraw/zinc/58/51/56/428585156.db2.gz	BDDMBFYKQOAQPH-ABAIWWIYSA-N	0	3	304.369	2.548	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000358307920	428593055	/nfs/dbraw/zinc/59/30/55/428593055.db2.gz	LDMMGLRCVJQXSP-HQJQHLMTSA-N	0	3	320.698	2.668	20	30		DFEDHN
C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCCC#N	ZINC000361755525	428593531	/nfs/dbraw/zinc/59/35/31/428593531.db2.gz	RHLWCPQTERWMSI-AWEZNQCLSA-N	0	3	321.446	2.523	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](O)C2(C)C)cc1OCCCC#N	ZINC000361086389	428536454	/nfs/dbraw/zinc/53/64/54/428536454.db2.gz	SVRJBBKLJVJGTK-QGZVFWFLSA-N	0	3	318.417	2.723	20	30		DFEDHN
Cc1nn(C)cc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000343273431	428543052	/nfs/dbraw/zinc/54/30/52/428543052.db2.gz	WQNRTDFIDSBUSF-CZUORRHYSA-N	0	3	310.401	2.678	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@H]1OC	ZINC000361165605	428544195	/nfs/dbraw/zinc/54/41/95/428544195.db2.gz	KBJJUQRTISFRRW-RCCFBDPRSA-N	0	3	318.417	2.651	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](CC)c2c(C)noc2C)CC1	ZINC000357579350	428549480	/nfs/dbraw/zinc/54/94/80/428549480.db2.gz	GFIYPIRWPPHCHL-MRXNPFEDSA-N	0	3	319.449	2.942	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2ccccc2F)c1C#N	ZINC000343526673	428556286	/nfs/dbraw/zinc/55/62/86/428556286.db2.gz	KUYAHIMSCPDVKT-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000361361846	428558954	/nfs/dbraw/zinc/55/89/54/428558954.db2.gz	MEMDDTGATKPIPH-GOSISDBHSA-N	0	3	313.445	2.754	20	30		DFEDHN
C[C@@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000357787563	428562093	/nfs/dbraw/zinc/56/20/93/428562093.db2.gz	BFHNVRPBPLDUQA-UONOGXRCSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000361429308	428567814	/nfs/dbraw/zinc/56/78/14/428567814.db2.gz	HCSYBANXFKKARJ-ZFWWWQNUSA-N	0	3	307.825	2.818	20	30		DFEDHN
C=CCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000361429306	428567863	/nfs/dbraw/zinc/56/78/63/428567863.db2.gz	HCSYBANXFKKARJ-HIFRSBDPSA-N	0	3	307.825	2.818	20	30		DFEDHN
N#Cc1ccc(CN2CCN(CC[C@H]3CCCCO3)CC2)cc1	ZINC000347392622	428569166	/nfs/dbraw/zinc/56/91/66/428569166.db2.gz	ZNKCRKDFWWXABQ-LJQANCHMSA-N	0	3	313.445	2.635	20	30		DFEDHN
N#Cc1ccc(CN2CCN(CC[C@@H]3CCCCO3)CC2)cc1	ZINC000347392621	428569856	/nfs/dbraw/zinc/56/98/56/428569856.db2.gz	ZNKCRKDFWWXABQ-IBGZPJMESA-N	0	3	313.445	2.635	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@H](OC(C)C)C1(C)C	ZINC000361551408	428576285	/nfs/dbraw/zinc/57/62/85/428576285.db2.gz	PEMSNLMGPMFPIK-HRCADAONSA-N	0	3	308.466	2.757	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000353564313	428598319	/nfs/dbraw/zinc/59/83/19/428598319.db2.gz	VKVYHHZHZKKQIW-UHFFFAOYSA-N	0	3	318.396	2.941	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)CN(C)C	ZINC000358504386	428603819	/nfs/dbraw/zinc/60/38/19/428603819.db2.gz	RJYCUMFOOQJIJJ-OAHLLOKOSA-N	0	3	321.469	2.502	20	30		DFEDHN
CC[C@@H](c1ccccc1OC)N(C)CCC(=O)N(C)CCC#N	ZINC000347563137	428604003	/nfs/dbraw/zinc/60/40/03/428604003.db2.gz	TYVSFLJJXCWVHI-INIZCTEOSA-N	0	3	317.433	2.840	20	30		DFEDHN
C=CCCCN1CC[C@@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000361929105	428605837	/nfs/dbraw/zinc/60/58/37/428605837.db2.gz	QWQSZVRMTZXYTH-OAHLLOKOSA-N	0	3	305.422	2.626	20	30		DFEDHN
C=CCN(CCOC)CCOc1ccccc1Br	ZINC000361995644	428607775	/nfs/dbraw/zinc/60/77/75/428607775.db2.gz	GXXGDGNLCGKFPS-UHFFFAOYSA-N	0	3	314.223	2.962	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1	ZINC000362088203	428615316	/nfs/dbraw/zinc/61/53/16/428615316.db2.gz	VCMIFZFWWHRVFN-KRWDZBQOSA-N	0	3	309.413	2.812	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)[nH]c(=O)c1)C(C)C	ZINC000347596126	428616165	/nfs/dbraw/zinc/61/61/65/428616165.db2.gz	ORRUTEAKBPPZQO-MRXNPFEDSA-N	0	3	317.433	2.524	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C	ZINC000347613002	428619232	/nfs/dbraw/zinc/61/92/32/428619232.db2.gz	ZXNDYJLIBFGXMS-LNLFQRSKSA-N	0	3	302.462	2.908	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OCC)C12CCCC2	ZINC000347680512	428619648	/nfs/dbraw/zinc/61/96/48/428619648.db2.gz	AZPIUQZGISPYMZ-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
CC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccs1	ZINC000347617381	428620049	/nfs/dbraw/zinc/62/00/49/428620049.db2.gz	SQFHZNHMHCPDLI-HNNXBMFYSA-N	0	3	313.426	2.977	20	30		DFEDHN
COCCN1[C@@H](C)CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000132052196	274033875	/nfs/dbraw/zinc/03/38/75/274033875.db2.gz	GCZHXAHLNPAWJL-STQMWFEESA-N	0	3	307.825	2.757	20	30		DFEDHN
C=CCOCCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000348057244	428635360	/nfs/dbraw/zinc/63/53/60/428635360.db2.gz	SVPUSBPMJFMZIJ-QGZVFWFLSA-N	0	3	302.418	2.707	20	30		DFEDHN
Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CCCC#N)cs1	ZINC000348188391	428647924	/nfs/dbraw/zinc/64/79/24/428647924.db2.gz	YKKFGHAVELTPID-ZFWWWQNUSA-N	0	3	310.442	2.600	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353568802	274218265	/nfs/dbraw/zinc/21/82/65/274218265.db2.gz	BMSMSTIHFIIXBV-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](CCO)C2)ccc1OC	ZINC000353678087	428656246	/nfs/dbraw/zinc/65/62/46/428656246.db2.gz	ZTFLTEZBFLQKIA-OAHLLOKOSA-N	0	3	305.418	2.854	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CN1C1CC1	ZINC000290503693	274395070	/nfs/dbraw/zinc/39/50/70/274395070.db2.gz	AWYXREDRBAWANH-ZYHUDNBSSA-N	0	3	315.808	2.896	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2cccc(OC)c2)CC1	ZINC000374621159	428714838	/nfs/dbraw/zinc/71/48/38/428714838.db2.gz	HYLQHBPXXRRZEC-HNNXBMFYSA-N	0	3	316.445	2.640	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N3CCCC[C@H]23)cc1	ZINC000374513349	428691817	/nfs/dbraw/zinc/69/18/17/428691817.db2.gz	KDCMYUVRFQOKRJ-BMGDILEWSA-N	0	3	312.413	2.503	20	30		DFEDHN
CN(C)c1noc([C@H]2CCCN(CCCC(C)(C)C#N)C2)n1	ZINC000374531943	428694077	/nfs/dbraw/zinc/69/40/77/428694077.db2.gz	UBVIDJARGXUVIW-ZDUSSCGKSA-N	0	3	305.426	2.645	20	30		DFEDHN
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC(C)(C)CCC#N)C1	ZINC000374788638	428753153	/nfs/dbraw/zinc/75/31/53/428753153.db2.gz	PZLRDVDKIOPYNS-AWEZNQCLSA-N	0	3	317.437	2.877	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000358995195	428766321	/nfs/dbraw/zinc/76/63/21/428766321.db2.gz	WHHJSBQIMVHXLU-WMZOPIPTSA-N	0	3	322.493	2.984	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCC[C@@H]2OCc2ccccc2)C1=O	ZINC000348520512	428766593	/nfs/dbraw/zinc/76/65/93/428766593.db2.gz	KFEJEGTYTVHWGV-BZSNNMDCSA-N	0	3	314.429	2.501	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC[C@H]1CCCO1	ZINC000411256340	428766962	/nfs/dbraw/zinc/76/69/62/428766962.db2.gz	IEDFWVYFMMXIFB-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C	ZINC000348529523	428773018	/nfs/dbraw/zinc/77/30/18/428773018.db2.gz	FQQCIOQOOFQQAK-KHYOSLBOSA-N	0	3	316.445	2.954	20	30		DFEDHN
CCCN(C[C@@H]1CCCCO1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000411362240	428781625	/nfs/dbraw/zinc/78/16/25/428781625.db2.gz	BGZUPNMXRYPDGZ-SOLBZPMBSA-N	0	3	323.481	2.710	20	30		DFEDHN
C[C@@H](O)C[C@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12	ZINC000348542279	428781766	/nfs/dbraw/zinc/78/17/66/428781766.db2.gz	BRGIOOHAOQLXTQ-GDBMZVCRSA-N	0	3	312.417	2.721	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1c1ccc(C)cc1	ZINC000374712564	428737615	/nfs/dbraw/zinc/73/76/15/428737615.db2.gz	IWTAPIVQCREFNV-DLBZAZTESA-N	0	3	307.459	2.822	20	30		DFEDHN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)[C@H](C)C1	ZINC000362429096	428737666	/nfs/dbraw/zinc/73/76/66/428737666.db2.gz	FZCJKSLHXQQUHV-OWQJAQGESA-N	0	3	305.466	2.894	20	30		DFEDHN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H](C)[C@H](C)C1	ZINC000362429098	428739010	/nfs/dbraw/zinc/73/90/10/428739010.db2.gz	FZCJKSLHXQQUHV-YLADIXGZSA-N	0	3	305.466	2.894	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCc1cncs1	ZINC000411741603	428849804	/nfs/dbraw/zinc/84/98/04/428849804.db2.gz	ZYPORZDRZFFJCP-UHFFFAOYSA-N	0	3	301.415	2.706	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000362702383	428799002	/nfs/dbraw/zinc/79/90/02/428799002.db2.gz	CXENBSDUOFNUKI-CQSZACIVSA-N	0	3	301.434	2.697	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1	ZINC000362726651	428801771	/nfs/dbraw/zinc/80/17/71/428801771.db2.gz	QOSNNEVPYIPUIL-ZWKOTPCHSA-N	0	3	311.429	2.631	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1	ZINC000359067093	428802591	/nfs/dbraw/zinc/80/25/91/428802591.db2.gz	YPYJSGDXUOAIBR-QGZVFWFLSA-N	0	3	302.418	2.742	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)C[C@H](C)O	ZINC000348699096	428815225	/nfs/dbraw/zinc/81/52/25/428815225.db2.gz	AIIIAMNJUQBZSH-AWEZNQCLSA-N	0	3	306.406	2.580	20	30		DFEDHN
CCOC(=O)C(C)(C)C1CCN(Cc2cc(C#N)n(C)c2)CC1	ZINC000348716330	428816721	/nfs/dbraw/zinc/81/67/21/428816721.db2.gz	ROSJKQSAIRZBBE-UHFFFAOYSA-N	0	3	317.433	2.698	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@@H]2CCCN2CCC)cc1	ZINC000359104374	428819093	/nfs/dbraw/zinc/81/90/93/428819093.db2.gz	ISNBLTDCTGHCNC-KRWDZBQOSA-N	0	3	302.418	2.742	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)c1cc(C(=O)OC)c(C)o1	ZINC000411642943	428831153	/nfs/dbraw/zinc/83/11/53/428831153.db2.gz	HUXATMBBHSFBJY-ZDUSSCGKSA-N	0	3	308.422	2.875	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cncc(Br)c1	ZINC000411647419	428832246	/nfs/dbraw/zinc/83/22/46/428832246.db2.gz	XZRZDEIQLVQQBS-UHFFFAOYSA-N	0	3	312.255	2.784	20	30		DFEDHN
C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc2n[nH]cc2c1	ZINC000348786259	428839123	/nfs/dbraw/zinc/83/91/23/428839123.db2.gz	UGXMXRRQGOZKOY-GFCCVEGCSA-N	0	3	316.368	2.933	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)s1	ZINC000363002590	428839458	/nfs/dbraw/zinc/83/94/58/428839458.db2.gz	WLAIBJYMLOLANJ-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCOCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000354060951	428843351	/nfs/dbraw/zinc/84/33/51/428843351.db2.gz	JQPFGFFIEZQVLR-HNNXBMFYSA-N	0	3	322.474	2.840	20	30		DFEDHN
N#Cc1ccc(F)c(CNC2(CO)C3CC4CC(C3)CC2C4)c1	ZINC000412009924	428908024	/nfs/dbraw/zinc/90/80/24/428908024.db2.gz	HFAHLVUTOBCGCD-UHFFFAOYSA-N	0	3	314.404	2.974	20	30		DFEDHN
CC(C#N)C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000359193857	428860649	/nfs/dbraw/zinc/86/06/49/428860649.db2.gz	OYIOGSCBYZIAKO-SNVBAGLBSA-N	0	3	300.280	2.746	20	30		DFEDHN
C[C@@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C#N)c(F)c1	ZINC000417377434	428864327	/nfs/dbraw/zinc/86/43/27/428864327.db2.gz	FUBSJWWMZQLXCP-CYBMUJFWSA-N	0	3	320.408	2.916	20	30		DFEDHN
COc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1	ZINC000348889788	428870750	/nfs/dbraw/zinc/87/07/50/428870750.db2.gz	CXTSZOSEBRDKAX-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1	ZINC000354142125	428882006	/nfs/dbraw/zinc/88/20/06/428882006.db2.gz	PDJHTOOUQNVEJS-RBUKOAKNSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H]2OCCc3ccsc32)CC1	ZINC000363368896	428911432	/nfs/dbraw/zinc/91/14/32/428911432.db2.gz	BHIMMDGHOMANSZ-HNNXBMFYSA-N	0	3	320.458	2.519	20	30		DFEDHN
N#Cc1ccc(CN2CCC(OC3CCOCC3)CC2)cc1	ZINC000363245364	428890902	/nfs/dbraw/zinc/89/09/02/428890902.db2.gz	GUHSTTKZFRTBRQ-UHFFFAOYSA-N	0	3	300.402	2.718	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@H](c3nc(C4CC4)no3)C2)c1	ZINC000375472373	428894390	/nfs/dbraw/zinc/89/43/90/428894390.db2.gz	SXUWDVNESPDHEK-OAHLLOKOSA-N	0	3	324.384	2.687	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)Cc1cc(C#N)n(C)c1	ZINC000349037876	428905406	/nfs/dbraw/zinc/90/54/06/428905406.db2.gz	UBVKSUPFEBCFPC-UHFFFAOYSA-N	0	3	324.472	2.893	20	30		DFEDHN
Cc1nc([C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)n[nH]1	ZINC000412048707	428927997	/nfs/dbraw/zinc/92/79/97/428927997.db2.gz	XFLCXWOUKRASEW-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1n[nH]c([C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)n1	ZINC000412048707	428927999	/nfs/dbraw/zinc/92/79/99/428927999.db2.gz	XFLCXWOUKRASEW-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1nnc([C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)[nH]1	ZINC000412048707	428928002	/nfs/dbraw/zinc/92/80/02/428928002.db2.gz	XFLCXWOUKRASEW-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
C=CC(C)(C)CN[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000419221835	428929801	/nfs/dbraw/zinc/92/98/01/428929801.db2.gz	AVSDJMPSFDHYCX-GFCCVEGCSA-N	0	3	311.223	2.777	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](N3CCCC3=O)CC2)ccc1C#N	ZINC000412054457	428932440	/nfs/dbraw/zinc/93/24/40/428932440.db2.gz	ILHCZMNZEMSHHW-SFHVURJKSA-N	0	3	311.429	2.844	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000375715529	428950331	/nfs/dbraw/zinc/95/03/31/428950331.db2.gz	DGOOLIMZWXNQCZ-MJGOQNOKSA-N	0	3	313.445	2.955	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000375715528	428950377	/nfs/dbraw/zinc/95/03/77/428950377.db2.gz	DGOOLIMZWXNQCZ-IEBWSBKVSA-N	0	3	313.445	2.955	20	30		DFEDHN
CC1(C)CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1	ZINC000420271316	428956062	/nfs/dbraw/zinc/95/60/62/428956062.db2.gz	HMABJNVEKLNYOT-UHFFFAOYSA-N	0	3	302.328	2.573	20	30		DFEDHN
CN(C)CCN(Cc1cc(C#N)cs1)Cc1ccccn1	ZINC000349311776	428960849	/nfs/dbraw/zinc/96/08/49/428960849.db2.gz	DPGLWDKVAQKMAU-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
CN(CC#Cc1ccccc1Cl)C1(CCO)CCOCC1	ZINC000355002935	429021996	/nfs/dbraw/zinc/02/19/96/429021996.db2.gz	BQXYLEYKSRRGIJ-UHFFFAOYSA-N	0	3	307.821	2.555	20	30		DFEDHN
C[C@H](NC(=O)NCC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C	ZINC000355088320	429027277	/nfs/dbraw/zinc/02/72/77/429027277.db2.gz	UWUHWCHMKHCDOY-ZFWWWQNUSA-N	0	3	302.422	2.527	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CCSC2)C1	ZINC000451969789	429031231	/nfs/dbraw/zinc/03/12/31/429031231.db2.gz	XBPZOXRFXBTQTI-WBVHZDCISA-N	0	3	308.491	2.795	20	30		DFEDHN
C=C(C)CN1CCC(NCc2cc(C(=O)OCC)co2)CC1	ZINC000354331114	428972851	/nfs/dbraw/zinc/97/28/51/428972851.db2.gz	PSMWAYHLOCUNOI-UHFFFAOYSA-N	0	3	306.406	2.586	20	30		DFEDHN
CC(C)C[C@H](CNCc1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000421336609	428989416	/nfs/dbraw/zinc/98/94/16/428989416.db2.gz	WWJXXNNWLMXBKR-QGZVFWFLSA-N	0	3	319.424	2.534	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000349449588	428989929	/nfs/dbraw/zinc/98/99/29/428989929.db2.gz	IFTXMEVAKMYPEE-VIFPVBQESA-N	0	3	314.311	2.649	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	ZINC000424081754	429089558	/nfs/dbraw/zinc/08/95/58/429089558.db2.gz	VPOSBVLOLTVGKR-JTQLQIEISA-N	0	3	317.723	2.901	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1	ZINC000424081762	429089593	/nfs/dbraw/zinc/08/95/93/429089593.db2.gz	VPOSBVLOLTVGKR-SNVBAGLBSA-N	0	3	317.723	2.901	20	30		DFEDHN
CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H](N)CCCC#N	ZINC000424115228	429092291	/nfs/dbraw/zinc/09/22/91/429092291.db2.gz	UOTBAFFIRIBKTJ-AWEZNQCLSA-N	0	3	307.825	2.798	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN(C2CCC2)C1	ZINC000452319388	429093998	/nfs/dbraw/zinc/09/39/98/429093998.db2.gz	DQJPTULXKLKKQU-BEFAXECRSA-N	0	3	315.461	2.793	20	30		DFEDHN
COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](N)CCCC#N	ZINC000424123993	429094110	/nfs/dbraw/zinc/09/41/10/429094110.db2.gz	NIWZGFRHRIDJPV-JKSUJKDBSA-N	0	3	317.433	2.920	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1ccccc1	ZINC000424117599	429094143	/nfs/dbraw/zinc/09/41/43/429094143.db2.gz	CQJUMRJNRCHGOB-IMJJTQAJSA-N	0	3	317.458	2.713	20	30		DFEDHN
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424125580	429094191	/nfs/dbraw/zinc/09/41/91/429094191.db2.gz	OCNHGBIUOWZOQS-WFASDCNBSA-N	0	3	307.825	2.751	20	30		DFEDHN
CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424125345	429095053	/nfs/dbraw/zinc/09/50/53/429095053.db2.gz	QTIWPYYQPGFBSM-PBHICJAKSA-N	0	3	317.433	2.920	20	30		DFEDHN
CC(C)(C)C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000452080765	429052215	/nfs/dbraw/zinc/05/22/15/429052215.db2.gz	PGMALNYIKCQSSK-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC[C@H]1CCCCN1C1CC1	ZINC000433805874	429053263	/nfs/dbraw/zinc/05/32/63/429053263.db2.gz	ZCPJVKRMDMDZRL-MRXNPFEDSA-N	0	3	306.413	2.957	20	30		DFEDHN
C[C@@H](NCCSCc1ccccc1C#N)c1cnccc1N	ZINC000422985073	429054276	/nfs/dbraw/zinc/05/42/76/429054276.db2.gz	BYOMALWTMHESGI-CYBMUJFWSA-N	0	3	312.442	2.950	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C	ZINC000433839046	429055428	/nfs/dbraw/zinc/05/54/28/429055428.db2.gz	NZEOHMFCPFQAAR-GXTWGEPZSA-N	0	3	317.437	2.719	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C	ZINC000424511513	429149919	/nfs/dbraw/zinc/14/99/19/429149919.db2.gz	WRNFRFATHLSYIM-WBVHZDCISA-N	0	3	302.418	2.976	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453457248	429150520	/nfs/dbraw/zinc/15/05/20/429150520.db2.gz	XNLHCZIPVZAVIW-AWEZNQCLSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000453448288	429150887	/nfs/dbraw/zinc/15/08/87/429150887.db2.gz	POFYGENLXHPJBW-IJEWVQPXSA-N	0	3	315.465	2.508	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC(F)F)c2)nc(C)n1	ZINC000453576238	429152305	/nfs/dbraw/zinc/15/23/05/429152305.db2.gz	FJGBRUCUQRLKAV-LLVKDONJSA-N	0	3	318.283	2.580	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN1C	ZINC000413167494	429154231	/nfs/dbraw/zinc/15/42/31/429154231.db2.gz	HUJUMPOATRQORR-IAGOWNOFSA-N	0	3	301.434	2.567	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-c2ccncc2)cc1	ZINC000424143484	429098539	/nfs/dbraw/zinc/09/85/39/429098539.db2.gz	JWSGOPDQNNDQAL-KBXCAEBGSA-N	0	3	322.412	2.947	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	ZINC000424174252	429104008	/nfs/dbraw/zinc/10/40/08/429104008.db2.gz	LXZRQPBFBFBBOT-JTQLQIEISA-N	0	3	317.723	2.901	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(c2ccccc2Cl)CC1	ZINC000424184213	429106829	/nfs/dbraw/zinc/10/68/29/429106829.db2.gz	XHZCCQQILYPEQD-CQSZACIVSA-N	0	3	305.809	2.509	20	30		DFEDHN
CC(C)N1CCc2nc(CN[C@@H]3CC[C@H](C#N)C3)sc2C1	ZINC000424194701	429109414	/nfs/dbraw/zinc/10/94/14/429109414.db2.gz	LRTAOHZZTNQAPV-QWHCGFSZSA-N	0	3	304.463	2.691	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000435053232	429120675	/nfs/dbraw/zinc/12/06/75/429120675.db2.gz	OCDYOGYMJMXMAT-OAHLLOKOSA-N	0	3	311.429	2.580	20	30		DFEDHN
CC[C@H](C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC	ZINC000452803500	429140073	/nfs/dbraw/zinc/14/00/73/429140073.db2.gz	HFTHGJOJONNZOV-XIRDDKMYSA-N	0	3	302.418	2.936	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1	ZINC000452856392	429140129	/nfs/dbraw/zinc/14/01/29/429140129.db2.gz	YVUUMXQMDCCFDI-ZYHUDNBSSA-N	0	3	307.191	2.925	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000424629367	429166480	/nfs/dbraw/zinc/16/64/80/429166480.db2.gz	RAGPFIYXKVGJSC-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CCOCC1	ZINC000424583480	429158094	/nfs/dbraw/zinc/15/80/94/429158094.db2.gz	LYHHZYBLRYWSCP-HOTGVXAUSA-N	0	3	308.466	2.596	20	30		DFEDHN
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCC1	ZINC000454738845	429171511	/nfs/dbraw/zinc/17/15/11/429171511.db2.gz	DWUKCBFLNOABOI-UHFFFAOYSA-N	0	3	313.445	2.729	20	30		DFEDHN
Cc1nc(NC[C@H](c2cccs2)N2CCCC2)ccc1C#N	ZINC000487901698	429171540	/nfs/dbraw/zinc/17/15/40/429171540.db2.gz	YICZRTXZCBEKBY-OAHLLOKOSA-N	0	3	312.442	3.572	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000454802313	429172588	/nfs/dbraw/zinc/17/25/88/429172588.db2.gz	NNPRMISXUQHLEN-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
N#CCCCCN(CCO)Cc1cccc(Br)c1	ZINC000488236337	429178438	/nfs/dbraw/zinc/17/84/38/429178438.db2.gz	VYTVTKGKYBZZBR-UHFFFAOYSA-N	0	3	311.223	2.937	20	30		DFEDHN
C[C@@H]1C[C@H]1CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000488333483	429178487	/nfs/dbraw/zinc/17/84/87/429178487.db2.gz	NDDSWGVTSCHRIO-CABCVRRESA-N	0	3	306.413	2.884	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000424707625	429178647	/nfs/dbraw/zinc/17/86/47/429178647.db2.gz	CQKOMBURHXYHKB-OAHLLOKOSA-N	0	3	320.433	2.529	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000455371900	429187220	/nfs/dbraw/zinc/18/72/20/429187220.db2.gz	UAFLYESDQMTYCF-INIZCTEOSA-N	0	3	301.434	2.772	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C	ZINC000455770096	429210188	/nfs/dbraw/zinc/21/01/88/429210188.db2.gz	MEYKQHXDXZYECC-LBPRGKRZSA-N	0	3	318.421	2.807	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC1(N(C)C)CCCCCC1	ZINC000489109962	429219222	/nfs/dbraw/zinc/21/92/22/429219222.db2.gz	MCAHJTSAVMGMEG-UHFFFAOYSA-N	0	3	302.484	2.527	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000440596676	429225921	/nfs/dbraw/zinc/22/59/21/429225921.db2.gz	KLHGNTQYXWDZHZ-KRWDZBQOSA-N	0	3	323.400	2.837	20	30		DFEDHN
COc1cc(CN[C@H](CO)Cc2ccccc2C)ccc1C#N	ZINC000440623351	429225976	/nfs/dbraw/zinc/22/59/76/429225976.db2.gz	WDYTZKWLLOSKRQ-SFHVURJKSA-N	0	3	310.397	2.569	20	30		DFEDHN
COc1cc(CNCCc2cnc(C3CC3)nc2)ccc1C#N	ZINC000440619258	429226629	/nfs/dbraw/zinc/22/66/29/429226629.db2.gz	BUUJCKFWQSQDEL-UHFFFAOYSA-N	0	3	308.385	2.567	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cc1C#N	ZINC000364571778	429227994	/nfs/dbraw/zinc/22/79/94/429227994.db2.gz	AQHBSEBNTHWNJY-QGZVFWFLSA-N	0	3	319.412	2.527	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]([C@@H]2CCOC2)C1	ZINC000441275683	429229663	/nfs/dbraw/zinc/22/96/63/429229663.db2.gz	FSOVGNFYTAIUNL-HZPDHXFCSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](OC)C[C@@H]1C	ZINC000441357060	429231946	/nfs/dbraw/zinc/23/19/46/429231946.db2.gz	MYEJFJDOOLZQCQ-CGTJXYLNSA-N	0	3	319.445	2.654	20	30		DFEDHN
C[C@@H]1[C@H](CO)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000488765211	429197568	/nfs/dbraw/zinc/19/75/68/429197568.db2.gz	SNLWNTHEJDHHRW-OCCSQVGLSA-N	0	3	313.319	2.639	20	30		DFEDHN
Cc1cccc(NC[C@@H]2CCCN2Cc2cc(C#N)n(C)c2)n1	ZINC000365232243	429284560	/nfs/dbraw/zinc/28/45/60/429284560.db2.gz	BVPRJIKZPRBUPT-INIZCTEOSA-N	0	3	309.417	2.677	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000442676088	429234350	/nfs/dbraw/zinc/23/43/50/429234350.db2.gz	GNWQFODYDQASJY-YJBOKZPZSA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1CCC(C#N)CC1	ZINC000442737668	429234878	/nfs/dbraw/zinc/23/48/78/429234878.db2.gz	MFTNYEDQPXUOST-FHERZECASA-N	0	3	320.481	2.688	20	30		DFEDHN
C[S@](=O)C1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000442822595	429237425	/nfs/dbraw/zinc/23/74/25/429237425.db2.gz	OWHCBTZOGHOXGQ-KKSFZXQISA-N	0	3	302.443	2.826	20	30		DFEDHN
C=CCOCCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000495662807	429242001	/nfs/dbraw/zinc/24/20/01/429242001.db2.gz	XACJSRBGMGZGRH-CABCVRRESA-N	0	3	310.438	2.520	20	30		DFEDHN
COC(=O)[C@](C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000443066986	429243881	/nfs/dbraw/zinc/24/38/81/429243881.db2.gz	KPTOQYDCQOTOJY-SRCQZFHVSA-N	0	3	304.365	2.538	20	30		DFEDHN
C[C@H]1CC[C@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1	ZINC000364675843	429247734	/nfs/dbraw/zinc/24/77/34/429247734.db2.gz	MSBPKEJHSBSINP-KXBFYZLASA-N	0	3	311.429	2.687	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)nc2)CC1	ZINC000425238978	429249271	/nfs/dbraw/zinc/24/92/71/429249271.db2.gz	NMGNIAKQVSVVJR-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
CN(C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1)C(=O)OC(C)(C)C	ZINC000495728268	429253750	/nfs/dbraw/zinc/25/37/50/429253750.db2.gz	KVXJGRNQXSVYCA-KKUMJFAQSA-N	0	3	307.438	2.867	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1	ZINC000495727631	429253811	/nfs/dbraw/zinc/25/38/11/429253811.db2.gz	JZZXSRUBRYYTJV-ILXRZTDVSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000443513893	429254196	/nfs/dbraw/zinc/25/41/96/429254196.db2.gz	YCAUHZZJRQASAA-QWRGUYRKSA-N	0	3	312.339	2.891	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000364736142	429259766	/nfs/dbraw/zinc/25/97/66/429259766.db2.gz	ATQQRRLQEDLWKT-UHFFFAOYSA-N	0	3	318.396	2.893	20	30		DFEDHN
Cc1cc(CNCc2ccccc2N2CCOCC2)ccc1C#N	ZINC000443973754	429259988	/nfs/dbraw/zinc/25/99/88/429259988.db2.gz	ZYCCCDODDSGXKR-UHFFFAOYSA-N	0	3	321.424	2.993	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(CN2CCCC2)c1	ZINC000456256018	429266214	/nfs/dbraw/zinc/26/62/14/429266214.db2.gz	CKGGNGJXPXJWQR-MSOLQXFVSA-N	0	3	314.429	2.746	20	30		DFEDHN
C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000495796389	429268524	/nfs/dbraw/zinc/26/85/24/429268524.db2.gz	VJPLMOYDHXZDCZ-TUVASFSCSA-N	0	3	307.438	2.914	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)CCCC1(C)C	ZINC000444773638	429277166	/nfs/dbraw/zinc/27/71/66/429277166.db2.gz	FDWQDVQVDCHBDV-JYJNAYRXSA-N	0	3	308.466	2.689	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)N2CCCC2)cc1	ZINC000448829380	429318957	/nfs/dbraw/zinc/31/89/57/429318957.db2.gz	YBYVEMPKPBQWJV-HHXXYDBFSA-N	0	3	311.429	2.798	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000448814258	429319057	/nfs/dbraw/zinc/31/90/57/429319057.db2.gz	VDUHWMYQKQCPBZ-KRWDZBQOSA-N	0	3	310.401	2.536	20	30		DFEDHN
CC1(C)C[C@H](O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000456534132	429319582	/nfs/dbraw/zinc/31/95/82/429319582.db2.gz	IVEFHCGXXVJYJQ-DLBZAZTESA-N	0	3	314.429	2.768	20	30		DFEDHN
N#C[C@]1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC12CCCC2	ZINC000448938575	429321392	/nfs/dbraw/zinc/32/13/92/429321392.db2.gz	UVUKTGOIHGVSEI-QAPCUYQASA-N	0	3	301.434	2.547	20	30		DFEDHN
CO[C@@H]([C@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000456560331	429324530	/nfs/dbraw/zinc/32/45/30/429324530.db2.gz	LGJBSJYSJRKKAA-XKQJLSEDSA-N	0	3	300.402	2.689	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H](C)C1	ZINC000491149955	429329725	/nfs/dbraw/zinc/32/97/25/429329725.db2.gz	RWUTUNFLQXTKRM-XHSDSOJGSA-N	0	3	320.481	2.688	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc3cc(F)ccc3o2)CC1	ZINC000491200564	429333170	/nfs/dbraw/zinc/33/31/70/429333170.db2.gz	AZZNBVUJAXTIMO-UHFFFAOYSA-N	0	3	314.360	2.533	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CCN(C)C	ZINC000425664845	429335840	/nfs/dbraw/zinc/33/58/40/429335840.db2.gz	QRRRJLLTOZDKOR-RDJZCZTQSA-N	0	3	317.433	2.503	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1nc(C(F)(F)F)cs1	ZINC000491210705	429335878	/nfs/dbraw/zinc/33/58/78/429335878.db2.gz	XTIRFQRJTUFFTL-JTQLQIEISA-N	0	3	305.369	2.768	20	30		DFEDHN
C#C[C@H](CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491241601	429337876	/nfs/dbraw/zinc/33/78/76/429337876.db2.gz	KFGMUJNLLXZAIT-DOTOQJQBSA-N	0	3	302.393	2.566	20	30		DFEDHN
CCn1cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000456702230	429339621	/nfs/dbraw/zinc/33/96/21/429339621.db2.gz	XZXGPLFFJGWUMI-ZBFHGGJFSA-N	0	3	310.401	2.853	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnc(C2CC2)o1	ZINC000456756846	429345514	/nfs/dbraw/zinc/34/55/14/429345514.db2.gz	FCKQOMFHLYMKOV-OAHLLOKOSA-N	0	3	309.369	2.941	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1CCN([C@H]2CC[C@H](C#N)C2)CC1	ZINC000495957271	429300427	/nfs/dbraw/zinc/30/04/27/429300427.db2.gz	MMEGDWXZSQTHGX-GJZGRUSLSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@H](C[C@H](C)NCc1ccc(C#N)o1)NC(=O)OC(C)(C)C	ZINC000496105754	429307343	/nfs/dbraw/zinc/30/73/43/429307343.db2.gz	QKBKZMISMXCKSX-NWDGAFQWSA-N	0	3	307.394	2.933	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@](C)(CNCC2(C#N)CCC2)C1	ZINC000496127467	429309497	/nfs/dbraw/zinc/30/94/97/429309497.db2.gz	XQIITEMBDHNMSB-MRXNPFEDSA-N	0	3	307.438	2.917	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H](n2ccnn2)C1	ZINC000425497418	429310611	/nfs/dbraw/zinc/31/06/11/429310611.db2.gz	CPIRDRVJAUOHPD-INIZCTEOSA-N	0	3	309.417	2.916	20	30		DFEDHN
CC(C)(C)OC(=O)NCCN[C@H]1CCc2ccc(C#N)cc21	ZINC000496857755	429316963	/nfs/dbraw/zinc/31/69/63/429316963.db2.gz	VHZFUHYXSLUJID-HNNXBMFYSA-N	0	3	301.390	2.660	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000448772963	429317766	/nfs/dbraw/zinc/31/77/66/429317766.db2.gz	FQZZDHYNRWVGDQ-SPUZQDLCSA-N	0	3	314.429	2.529	20	30		DFEDHN
C#CCNC(=O)C1CCN(C[C@@H](C)c2cc(F)cc(F)c2)CC1	ZINC000491694662	429392973	/nfs/dbraw/zinc/39/29/73/429392973.db2.gz	MYDFDSYTCVMTFW-CYBMUJFWSA-N	0	3	320.383	2.530	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1	ZINC000457091489	429399527	/nfs/dbraw/zinc/39/95/27/429399527.db2.gz	MUODNTPFTJOAQW-KRWDZBQOSA-N	0	3	316.445	2.735	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000457100219	429401009	/nfs/dbraw/zinc/40/10/09/429401009.db2.gz	WGMZFYGQVSYKAA-MSOLQXFVSA-N	0	3	313.445	2.700	20	30		DFEDHN
C=CCC[C@H](CO)NC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000456780508	429349204	/nfs/dbraw/zinc/34/92/04/429349204.db2.gz	QUEUUOMHMILXMB-QGZVFWFLSA-N	0	3	316.445	2.728	20	30		DFEDHN
C#CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1	ZINC000491338908	429350252	/nfs/dbraw/zinc/35/02/52/429350252.db2.gz	MKCNTXYDTRNPBZ-QAPCUYQASA-N	0	3	313.445	2.793	20	30		DFEDHN
C#C[C@H](C)N(C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000491428915	429359171	/nfs/dbraw/zinc/35/91/71/429359171.db2.gz	RCYPPUUSUUWSDS-NSHDSACASA-N	0	3	324.808	2.639	20	30		DFEDHN
C#C[C@@H](C)N(C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000491428914	429359512	/nfs/dbraw/zinc/35/95/12/429359512.db2.gz	RCYPPUUSUUWSDS-LLVKDONJSA-N	0	3	324.808	2.639	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Cc1csc2ccccc12	ZINC000491462685	429362577	/nfs/dbraw/zinc/36/25/77/429362577.db2.gz	JQJJIXLOXKMREF-UHFFFAOYSA-N	0	3	300.427	2.515	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@H]2CCc3c[nH]nc3C2)cc1	ZINC000365735475	429365541	/nfs/dbraw/zinc/36/55/41/429365541.db2.gz	LIHRNUSIVAKOPS-DOTOQJQBSA-N	0	3	310.401	2.910	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1C	ZINC000426137929	429367897	/nfs/dbraw/zinc/36/78/97/429367897.db2.gz	INRXFWGTNSFFAA-CMPLNLGQSA-N	0	3	306.797	2.816	20	30		DFEDHN
COC[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456973221	429370124	/nfs/dbraw/zinc/37/01/24/429370124.db2.gz	VNDSULKXQAFJKO-SJORKVTESA-N	0	3	300.402	2.786	20	30		DFEDHN
N#Cc1csc(CNC[C@@H]2CCCN2C2CCCCC2)n1	ZINC000514762017	429370132	/nfs/dbraw/zinc/37/01/32/429370132.db2.gz	RDEIPSTYNFKSEK-HNNXBMFYSA-N	0	3	304.463	2.901	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(C#N)CC2)cc1	ZINC000515005078	429373267	/nfs/dbraw/zinc/37/32/67/429373267.db2.gz	WSUATRVKGJENEW-QGZVFWFLSA-N	0	3	314.433	2.755	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@H](c2ccncc2)C1	ZINC000516532306	429380233	/nfs/dbraw/zinc/38/02/33/429380233.db2.gz	LVMQQRLKDYLJTK-QGZVFWFLSA-N	0	3	323.396	2.830	20	30		DFEDHN
COc1ccccc1N1CC[C@H](CNC[C@@H](C#N)CCC#N)C1	ZINC000516645299	429382551	/nfs/dbraw/zinc/38/25/51/429382551.db2.gz	SXNNOYXQXSWGML-HZPDHXFCSA-N	0	3	312.417	2.555	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000491642654	429383193	/nfs/dbraw/zinc/38/31/93/429383193.db2.gz	XXRSLMZSYGAPPR-WBVHZDCISA-N	0	3	313.445	2.923	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1CC)c1ccc(F)cc1	ZINC000491646293	429384320	/nfs/dbraw/zinc/38/43/20/429384320.db2.gz	SOEVESGZULUUON-DLBZAZTESA-N	0	3	317.408	2.626	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1cccc(SCC#N)c1	ZINC000457057991	429388520	/nfs/dbraw/zinc/38/85/20/429388520.db2.gz	PQSJLZPZKMJWHM-UHFFFAOYSA-N	0	3	317.458	2.906	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000449518404	429442204	/nfs/dbraw/zinc/44/22/04/429442204.db2.gz	JNIGDOOMAAIGIG-KSZLIROESA-N	0	3	303.402	2.678	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(Br)c1	ZINC000449519771	429442491	/nfs/dbraw/zinc/44/24/91/429442491.db2.gz	NEYOPKJRILWLJG-OLZOCXBDSA-N	0	3	312.207	2.891	20	30		DFEDHN
COc1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1C#N	ZINC000449553067	429447326	/nfs/dbraw/zinc/44/73/26/429447326.db2.gz	KVRSRFIXTXNNAI-DJIMGWMZSA-N	0	3	300.402	2.550	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1ccc(CC#N)cc1)N1CCCCC1	ZINC000519160718	429449815	/nfs/dbraw/zinc/44/98/15/429449815.db2.gz	QHTRZJZDCFRCAV-GOSISDBHSA-N	0	3	313.445	2.879	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C1CCC1	ZINC000492053312	429459065	/nfs/dbraw/zinc/45/90/65/429459065.db2.gz	YXLJBYQJVZDAPA-KHPPLWFESA-N	0	3	311.429	2.805	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000491804824	429411629	/nfs/dbraw/zinc/41/16/29/429411629.db2.gz	MQTYWGKGRXHXFG-QGZVFWFLSA-N	0	3	313.445	2.670	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)c(OC)cc1F	ZINC000519657125	429475119	/nfs/dbraw/zinc/47/51/19/429475119.db2.gz	UFVNAKQZBGEGKD-SJKOYZFVSA-N	0	3	309.381	2.914	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN[C@H]2C[C@@H](O)C2)c1	ZINC000449748774	429497973	/nfs/dbraw/zinc/49/79/73/429497973.db2.gz	NFLKUDUEHCGNNE-HDICACEKSA-N	0	3	308.381	2.750	20	30		DFEDHN
Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ncc1C#N	ZINC000457748856	429519801	/nfs/dbraw/zinc/51/98/01/429519801.db2.gz	RMFIKNMGVROHTK-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
Cc1cc(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1C#N	ZINC000428853902	429555877	/nfs/dbraw/zinc/55/58/77/429555877.db2.gz	YROSUOQIGWTGDN-KSSFIOAISA-N	0	3	307.397	2.614	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCOCC2	ZINC000367024337	429559206	/nfs/dbraw/zinc/55/92/06/429559206.db2.gz	YCGFVOSROKDGNY-QZTJIDSGSA-N	0	3	317.404	2.741	20	30		DFEDHN
COC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000458054976	429572193	/nfs/dbraw/zinc/57/21/93/429572193.db2.gz	BXKPDWQRQXOQKY-GTPINHCMSA-N	0	3	300.402	2.833	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1sccc1C#N	ZINC000522112346	429579275	/nfs/dbraw/zinc/57/92/75/429579275.db2.gz	GYRQOEAJHWIPBJ-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1Cl)c1ccc(F)cc1	ZINC000429194733	429585539	/nfs/dbraw/zinc/58/55/39/429585539.db2.gz	RCHWWFUNNZXYLI-CQSZACIVSA-N	0	3	318.783	3.461	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1Cl)c1cccc(F)c1	ZINC000429201947	429587089	/nfs/dbraw/zinc/58/70/89/429587089.db2.gz	JXKXQFGQEGPFKY-CQSZACIVSA-N	0	3	318.783	3.461	20	30		DFEDHN
N#Cc1cccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1	ZINC000428547171	429534094	/nfs/dbraw/zinc/53/40/94/429534094.db2.gz	NBSSDVRDPDSTFX-OALUTQOASA-N	0	3	310.372	2.953	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1	ZINC000457865102	429542653	/nfs/dbraw/zinc/54/26/53/429542653.db2.gz	FIQRCRLZTTXPTD-YESZJQIVSA-N	0	3	300.402	2.831	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2CCC(C(F)F)CC2)CC1	ZINC000458332392	429622296	/nfs/dbraw/zinc/62/22/96/429622296.db2.gz	JUYBDVBXKQUQPD-UHFFFAOYSA-N	0	3	315.408	2.760	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)/C=C/c1cn(CCC#N)c2ccccc12	ZINC000492922187	429645808	/nfs/dbraw/zinc/64/58/08/429645808.db2.gz	MWMGBOGVVJTMEO-FEAKQIBJSA-N	0	3	324.428	2.634	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1	ZINC000522934365	429598057	/nfs/dbraw/zinc/59/80/57/429598057.db2.gz	JCQVZTXYUXHHRJ-UHFFFAOYSA-N	0	3	306.413	3.559	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)[C@H](C)CN1C	ZINC000492720131	429600729	/nfs/dbraw/zinc/60/07/29/429600729.db2.gz	GRBIIOSZZAHEBH-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)s1	ZINC000458225884	429607688	/nfs/dbraw/zinc/60/76/88/429607688.db2.gz	PVIKVFQVYIZVQE-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCS[C@H](c2ccccc2)C1	ZINC000367502594	429661683	/nfs/dbraw/zinc/66/16/83/429661683.db2.gz	JTKYJWOJFSIPFX-INIZCTEOSA-N	0	3	317.458	2.539	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)c[nH]1	ZINC000184587713	276015987	/nfs/dbraw/zinc/01/59/87/276015987.db2.gz	DBDWTXTWUFYZGX-SFHVURJKSA-N	0	3	324.428	2.773	20	30		DFEDHN
CCN(CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1	ZINC000171116830	276128682	/nfs/dbraw/zinc/12/86/82/276128682.db2.gz	GJQWHGUWFNNUMJ-UHFFFAOYSA-N	0	3	317.437	2.721	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000450697943	429679758	/nfs/dbraw/zinc/67/97/58/429679758.db2.gz	OMXYTHDUTGRGLA-GUYCJALGSA-N	0	3	310.401	2.616	20	30		DFEDHN
Cc1nsc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1C#N	ZINC000459553743	429698917	/nfs/dbraw/zinc/69/89/17/429698917.db2.gz	IJSBUYBWQXBJSW-GHMZBOCLSA-N	0	3	321.450	2.708	20	30		DFEDHN
C[C@@H](CN(C)CCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000459803041	429702276	/nfs/dbraw/zinc/70/22/76/429702276.db2.gz	JCPXHRNPWAVHHZ-AWEZNQCLSA-N	0	3	318.417	2.847	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1	ZINC000475366549	429716105	/nfs/dbraw/zinc/71/61/05/429716105.db2.gz	DWBVPRNAPZTJPC-YOEHRIQHSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=CCCCCCCNC(=O)[C@@H]1CCCN1C1CCOCC1	ZINC000367794340	429718234	/nfs/dbraw/zinc/71/82/34/429718234.db2.gz	RULYCEGQGXAUDT-KRWDZBQOSA-N	0	3	308.466	2.883	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC[C@@H](C)C1	ZINC000479338375	429719360	/nfs/dbraw/zinc/71/93/60/429719360.db2.gz	ACGQEORTLOMODD-CABCVRRESA-N	0	3	308.470	2.736	20	30		DFEDHN
CC(C)(CCC#N)CN[C@@H]1CCS(=O)(=O)c2c(F)cccc21	ZINC000367904320	429740214	/nfs/dbraw/zinc/74/02/14/429740214.db2.gz	QEIQJDWHAKMUCS-CQSZACIVSA-N	0	3	324.421	2.964	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](Cc2ccccc2)C1	ZINC000527298414	429741136	/nfs/dbraw/zinc/74/11/36/429741136.db2.gz	UBLUXHBWDFXXLE-DOTOQJQBSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@@H]1Oc1ccccc1C	ZINC000484645949	429742055	/nfs/dbraw/zinc/74/20/55/429742055.db2.gz	HWARTFDKURDYQL-WBVHZDCISA-N	0	3	302.418	2.577	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@H]1Oc1ccccc1C	ZINC000484645947	429742263	/nfs/dbraw/zinc/74/22/63/429742263.db2.gz	HWARTFDKURDYQL-NVXWUHKLSA-N	0	3	302.418	2.577	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3scc(C)c3C2)CC1	ZINC000367931668	429745089	/nfs/dbraw/zinc/74/50/89/429745089.db2.gz	ORHNWIHXMHKUFE-UHFFFAOYSA-N	0	3	319.474	2.775	20	30		DFEDHN
Cn1cc(-c2nc(CNCC3CCC(C#N)CC3)cs2)cn1	ZINC000527701861	429782425	/nfs/dbraw/zinc/78/24/25/429782425.db2.gz	BBCQSPZCJJOSBY-UHFFFAOYSA-N	0	3	315.446	2.963	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2cnn(C)c2)n1	ZINC000527703337	429782594	/nfs/dbraw/zinc/78/25/94/429782594.db2.gz	NPPYUVCBRQZSLD-SWLSCSKDSA-N	0	3	318.446	2.614	20	30		DFEDHN
CC(C)(C[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1)C(N)=O	ZINC000451216071	429790756	/nfs/dbraw/zinc/79/07/56/429790756.db2.gz	LRNWWXOSAOQVJD-QGZVFWFLSA-N	0	3	313.445	2.866	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000451420955	429827838	/nfs/dbraw/zinc/82/78/38/429827838.db2.gz	NPCWISXGNZHMSH-GVDBMIGSSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC([C@H]3CCOC3)CC2)cc1	ZINC000368331306	429831133	/nfs/dbraw/zinc/83/11/33/429831133.db2.gz	JDSLMKKXVLVBCF-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C#N)c(F)c1	ZINC000528015359	429837421	/nfs/dbraw/zinc/83/74/21/429837421.db2.gz	KOAZCGMLCDCYHQ-CYBMUJFWSA-N	0	3	317.408	2.997	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000451521483	429840786	/nfs/dbraw/zinc/84/07/86/429840786.db2.gz	ZPELJYCFIOEIQB-CGTJXYLNSA-N	0	3	314.429	2.911	20	30		DFEDHN
CC(C)[C@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000528129274	429851231	/nfs/dbraw/zinc/85/12/31/429851231.db2.gz	YINSZKZYLHWUAO-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CCCCCCCN1CCC[C@H]1C(=O)NCC1CCOCC1	ZINC000368522571	429860088	/nfs/dbraw/zinc/86/00/88/429860088.db2.gz	PLJUWJIFZXTJES-KRWDZBQOSA-N	0	3	310.482	2.964	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1C	ZINC000451604565	429860498	/nfs/dbraw/zinc/86/04/98/429860498.db2.gz	HNMLYQSAFXKGIN-LNSITVRQSA-N	0	3	308.809	2.909	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC1=Nn1cnnc1	ZINC000494297648	429865419	/nfs/dbraw/zinc/86/54/19/429865419.db2.gz	DXRSKSOSEVKLEO-GXTWGEPZSA-N	0	3	319.409	2.682	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSC[C@@H]1C1CC1	ZINC000451646069	429867112	/nfs/dbraw/zinc/86/71/12/429867112.db2.gz	HERVGNWKVVASGL-OAHLLOKOSA-N	0	3	318.442	2.773	20	30		DFEDHN
C=CCc1cc(CN2CC[C@](CO)(C(C)C)C2)cc(OC)c1O	ZINC000368225014	429811983	/nfs/dbraw/zinc/81/19/83/429811983.db2.gz	LODXYORYWXRHAD-IBGZPJMESA-N	0	3	319.445	2.970	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000451338101	429813952	/nfs/dbraw/zinc/81/39/52/429813952.db2.gz	GRALZYIHWMBWTO-MLHJIOFPSA-N	0	3	322.493	2.815	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1C#N	ZINC000528393068	429884098	/nfs/dbraw/zinc/88/40/98/429884098.db2.gz	URVYFEFNZFINLK-DNVCBOLYSA-N	0	3	322.408	2.745	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)CC[C@@H]1C(F)(F)F	ZINC000528478852	429891551	/nfs/dbraw/zinc/89/15/51/429891551.db2.gz	SKXXFNNWOSKMES-RYUDHWBXSA-N	0	3	304.356	2.952	20	30		DFEDHN
CC1(C)CN(C[C@H](O)CC2(C#N)CC2)CC[C@H]1C(F)(F)F	ZINC000528478855	429891604	/nfs/dbraw/zinc/89/16/04/429891604.db2.gz	SKXXFNNWOSKMES-VXGBXAGGSA-N	0	3	304.356	2.952	20	30		DFEDHN
Cc1nn(C)c(C)c1CN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000368844821	429898055	/nfs/dbraw/zinc/89/80/55/429898055.db2.gz	MMHIBGJYEMCROA-UHFFFAOYSA-N	0	3	323.444	2.621	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000369231062	429920981	/nfs/dbraw/zinc/92/09/81/429920981.db2.gz	KWYYPDDJWKLBSR-QGZVFWFLSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CCN(C(=O)c1c[nH]nc1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000369264860	429921972	/nfs/dbraw/zinc/92/19/72/429921972.db2.gz	CVORGFBABPINKK-KRWDZBQOSA-N	0	3	324.428	2.621	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@]3(CC=CCC3)C2)c1	ZINC000369328159	429924672	/nfs/dbraw/zinc/92/46/72/429924672.db2.gz	BFGYBXCKEXMAQW-HXUWFJFHSA-N	0	3	323.440	2.997	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@]1(C#N)CC12CCCC2	ZINC000451690262	429871660	/nfs/dbraw/zinc/87/16/60/429871660.db2.gz	NTXPDEGXEKILTN-RVKKMQEKSA-N	0	3	301.434	2.546	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(OC(F)F)c1	ZINC000494493590	429876561	/nfs/dbraw/zinc/87/65/61/429876561.db2.gz	NRDPQHPFGLWQCX-ZFWWWQNUSA-N	0	3	308.328	2.817	20	30		DFEDHN
C[C@@H](NC(=O)Nc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C	ZINC000573562785	429961240	/nfs/dbraw/zinc/96/12/40/429961240.db2.gz	ZBGWKMCPCMUNOH-DYVFJYSZSA-N	0	3	323.400	2.766	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc(C3CC3)nc3[nH]ccc32)CC1	ZINC000631107976	429974808	/nfs/dbraw/zinc/97/48/08/429974808.db2.gz	JMCBYPBELYVFTH-UHFFFAOYSA-N	0	3	311.433	3.288	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccc(Cl)c1	ZINC000369363964	429930357	/nfs/dbraw/zinc/93/03/57/429930357.db2.gz	OYNDOVPAIWCQNM-HIFRSBDPSA-N	0	3	319.836	2.999	20	30		DFEDHN
C[C@H](NC(=O)CCN(C)c1ccncc1)c1ccc(C#N)cc1	ZINC000557712520	429953557	/nfs/dbraw/zinc/95/35/57/429953557.db2.gz	LQJJVNLJTQNLSY-AWEZNQCLSA-N	0	3	308.385	2.657	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1	ZINC000639916530	430021481	/nfs/dbraw/zinc/02/14/81/430021481.db2.gz	NXLJVJRDCFQAGX-DOMZBBRYSA-N	0	3	301.789	2.819	20	30		DFEDHN
C[C@H]1CC(F)(F)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000530008295	430095177	/nfs/dbraw/zinc/09/51/77/430095177.db2.gz	FEBORZFGSFCUCF-WFASDCNBSA-N	0	3	317.339	2.887	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000530026331	430096295	/nfs/dbraw/zinc/09/62/95/430096295.db2.gz	CEFQXNNBMDTWTB-INIZCTEOSA-N	0	3	314.429	2.998	20	30		DFEDHN
CC[C@H](CC#N)NCCCC(=O)Nc1ccccc1C(C)=O	ZINC000575879363	430099693	/nfs/dbraw/zinc/09/96/93/430099693.db2.gz	RPQRACZBRTWDIO-CQSZACIVSA-N	0	3	301.390	2.890	20	30		DFEDHN
C=CCNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C	ZINC000562175123	430110829	/nfs/dbraw/zinc/11/08/29/430110829.db2.gz	LZELXFVFGJRRLK-QGZVFWFLSA-N	0	3	303.450	2.973	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@H]2C2CC2)c(-c2ccncc2)n1	ZINC000577261008	430112417	/nfs/dbraw/zinc/11/24/17/430112417.db2.gz	ULTWDMBNLAGQQY-KRWDZBQOSA-N	0	3	307.401	2.843	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1	ZINC000577350358	430112784	/nfs/dbraw/zinc/11/27/84/430112784.db2.gz	UYOJQRISEASWQU-JQHSSLGASA-N	0	3	316.445	2.804	20	30		DFEDHN
N#Cc1csc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1	ZINC000529723127	430061574	/nfs/dbraw/zinc/06/15/74/430061574.db2.gz	PJVZGAMKASYBPJ-AWEZNQCLSA-N	0	3	303.431	2.757	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1ccccn1	ZINC000562595882	430152595	/nfs/dbraw/zinc/15/25/95/430152595.db2.gz	QNZIOFURSAVUKO-NSHDSACASA-N	0	3	321.258	2.908	20	30		DFEDHN
Cc1nc(NC(=O)C(C#N)c2ccc(C(F)(F)F)cn2)oc1C	ZINC000536622520	430171168	/nfs/dbraw/zinc/17/11/68/430171168.db2.gz	UHZVJYXUOKKADV-JTQLQIEISA-N	0	3	324.262	2.951	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)CC(C)(C)OC	ZINC000531829742	430149069	/nfs/dbraw/zinc/14/90/69/430149069.db2.gz	SWLAANOMWGCPBM-INIZCTEOSA-N	0	3	307.434	2.512	20	30		DFEDHN
COc1ccc(OCCN2CCC(CC#N)CC2)c([N+](=O)[O-])c1	ZINC000541019602	430183675	/nfs/dbraw/zinc/18/36/75/430183675.db2.gz	JNQHEDKNJYVZKH-UHFFFAOYSA-N	0	3	319.361	2.608	20	30		DFEDHN
N#CCC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1	ZINC000563516660	430189953	/nfs/dbraw/zinc/18/99/53/430189953.db2.gz	AYBHOWOLRRDHBK-UHFFFAOYSA-N	0	3	311.429	2.587	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000564885411	430201473	/nfs/dbraw/zinc/20/14/73/430201473.db2.gz	DOGOGDJQYNBAAD-GXTWGEPZSA-N	0	3	316.405	2.571	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC(CCC#N)CC1	ZINC000564890766	430201695	/nfs/dbraw/zinc/20/16/95/430201695.db2.gz	GOAKGSVNPIIWSJ-KRWDZBQOSA-N	0	3	320.481	2.976	20	30		DFEDHN
Cc1csc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1C#N	ZINC000581377606	430203215	/nfs/dbraw/zinc/20/32/15/430203215.db2.gz	JRAWCDDLMCEVTQ-GFCCVEGCSA-N	0	3	304.419	2.630	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1ncon1	ZINC000565667671	430222463	/nfs/dbraw/zinc/22/24/63/430222463.db2.gz	VGCQHJLFBAOJQR-CABCVRRESA-N	0	3	310.357	2.506	20	30		DFEDHN
COC(=O)COc1ccc(CN2CCC(CCC#N)CC2)cc1	ZINC000566248089	430249754	/nfs/dbraw/zinc/24/97/54/430249754.db2.gz	LSLOWELLYWHFHX-UHFFFAOYSA-N	0	3	316.401	2.754	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)C1	ZINC000543456651	430249888	/nfs/dbraw/zinc/24/98/88/430249888.db2.gz	SBNGACQALOLLOU-NHYWBVRUSA-N	0	3	305.809	2.670	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCC(C)(C)CCC#N)CC1	ZINC000566815897	430272890	/nfs/dbraw/zinc/27/28/90/430272890.db2.gz	IQNWKXGCQGIKJZ-UHFFFAOYSA-N	0	3	308.470	2.832	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)NCc1ccc(CC#N)cc1	ZINC000582422818	430299772	/nfs/dbraw/zinc/29/97/72/430299772.db2.gz	WKUBFQALSHQIIT-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000567992098	430301719	/nfs/dbraw/zinc/30/17/19/430301719.db2.gz	INZISTKZDDYXAT-IAQYHMDHSA-N	0	3	323.824	2.537	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000568011776	430305515	/nfs/dbraw/zinc/30/55/15/430305515.db2.gz	JRMDXNSOALYEHG-GUYCJALGSA-N	0	3	311.429	2.856	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@@H](C)CCC#N)CC1	ZINC000583610988	430411542	/nfs/dbraw/zinc/41/15/42/430411542.db2.gz	IUZFINTVVQLXGS-INIZCTEOSA-N	0	3	303.454	2.664	20	30		DFEDHN
Cc1csc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C#N	ZINC000583031777	430358408	/nfs/dbraw/zinc/35/84/08/430358408.db2.gz	BXOVWWAYXUXGMM-RYUDHWBXSA-N	0	3	306.435	2.875	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN1CCC=C(c3ccccc3)C1)C2	ZINC000583084303	430362762	/nfs/dbraw/zinc/36/27/62/430362762.db2.gz	LEBINVCEPCWARN-HNNXBMFYSA-N	0	3	319.412	2.586	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000547979502	430436298	/nfs/dbraw/zinc/43/62/98/430436298.db2.gz	AXTHDURFXGSNPI-CQSZACIVSA-N	0	3	305.809	2.814	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)C1CCC(F)(F)CC1	ZINC000583994515	430447769	/nfs/dbraw/zinc/44/77/69/430447769.db2.gz	FEYPUOQCZAEADT-UHFFFAOYSA-N	0	3	305.332	2.611	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C	ZINC000638873645	430464240	/nfs/dbraw/zinc/46/42/40/430464240.db2.gz	CQJSZHKXGQPHEI-PMUMKWKESA-N	0	3	308.466	2.628	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(Cl)cccc1N1CCOCC1	ZINC000641760870	430465956	/nfs/dbraw/zinc/46/59/56/430465956.db2.gz	YNSWVMJJNYTNHP-AWEZNQCLSA-N	0	3	324.852	2.593	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000641768646	430467816	/nfs/dbraw/zinc/46/78/16/430467816.db2.gz	FDWNLYMBXNCUPL-CYBMUJFWSA-N	0	3	313.344	2.551	20	30		DFEDHN
C[C@H](c1ccccc1F)N(C)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000584232763	430470908	/nfs/dbraw/zinc/47/09/08/430470908.db2.gz	VLWHTCSZUMZKCS-OLZOCXBDSA-N	0	3	313.380	2.629	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(N(C)c2ccccc2)nc1	ZINC000585118260	430480595	/nfs/dbraw/zinc/48/05/95/430480595.db2.gz	IMKUVMYWXCYUBD-QGZVFWFLSA-N	0	3	309.413	2.713	20	30		DFEDHN
CC[C@]1(C(C)C)C[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000569804382	430487182	/nfs/dbraw/zinc/48/71/82/430487182.db2.gz	QWAMXSNEGNYVCC-DLBZAZTESA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCCCCNCc1cnn2cc(Br)cnc12	ZINC000639056810	430506217	/nfs/dbraw/zinc/50/62/17/430506217.db2.gz	QWZABEATGDMJKS-UHFFFAOYSA-N	0	3	309.211	2.938	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)nc1	ZINC000570173961	430519741	/nfs/dbraw/zinc/51/97/41/430519741.db2.gz	RWKYEXPEMLJKBL-UHFFFAOYSA-N	0	3	306.413	2.661	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599258482	430529067	/nfs/dbraw/zinc/52/90/67/430529067.db2.gz	GXPGFESPOAYKPN-SFHVURJKSA-N	0	3	314.429	2.746	20	30		DFEDHN
Cc1cc(C#N)ccc1OC[C@H](O)CN1CCc2ccccc2C1	ZINC000549812277	430532804	/nfs/dbraw/zinc/53/28/04/430532804.db2.gz	OJGRDPBSNPOXPN-LJQANCHMSA-N	0	3	322.408	2.665	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(C)(C)n1cncn1	ZINC000639162050	430549183	/nfs/dbraw/zinc/54/91/83/430549183.db2.gz	OXLNLIOXLSTLKS-CQSZACIVSA-N	0	3	318.421	2.565	20	30		DFEDHN
N#Cc1cccc(CCNC(=O)[C@H]2CCCN2C2CCCC2)c1	ZINC000570745217	430572947	/nfs/dbraw/zinc/57/29/47/430572947.db2.gz	LKNNVDMKKSYAFR-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C#N)n1	ZINC000570952609	430592075	/nfs/dbraw/zinc/59/20/75/430592075.db2.gz	RUZUJQUPUHGGAO-DOTOQJQBSA-N	0	3	306.413	2.931	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@@H]1n1cccn1	ZINC000550945450	430547180	/nfs/dbraw/zinc/54/71/80/430547180.db2.gz	RKZWUADXXZGREC-HCXYKTFWSA-N	0	3	322.412	2.750	20	30		DFEDHN
N#CC1(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCC1	ZINC000554846130	430653054	/nfs/dbraw/zinc/65/30/54/430653054.db2.gz	LCAGFRXZMSAZFX-BCDXTJNWSA-N	0	3	323.440	2.959	20	30		DFEDHN
C=CCOc1cccc(CN2CCCC[C@H]2CNC(C)=O)c1	ZINC000639370880	430622279	/nfs/dbraw/zinc/62/22/79/430622279.db2.gz	MLTNATUGMSQYAZ-KRWDZBQOSA-N	0	3	302.418	2.742	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(CCc2ccccc2)ccn1	ZINC000572119392	430672020	/nfs/dbraw/zinc/67/20/20/430672020.db2.gz	RVOZONSCDXWEMK-QGZVFWFLSA-N	0	3	322.412	2.826	20	30		DFEDHN
N#CC1(CCN2CCC[C@H](N3CCOCC3)C2)CCCCC1	ZINC000572494146	430689320	/nfs/dbraw/zinc/68/93/20/430689320.db2.gz	LPTOZTXALJLHSN-KRWDZBQOSA-N	0	3	305.466	2.647	20	30		DFEDHN
C=C(CNC(=O)N(C)CCN1CCCCC1)c1ccccc1	ZINC000651098751	430704600	/nfs/dbraw/zinc/70/46/00/430704600.db2.gz	DWPICRKQTSTBQC-UHFFFAOYSA-N	0	3	301.434	2.827	20	30		DFEDHN
COCC#CCN[C@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000661428780	430712511	/nfs/dbraw/zinc/71/25/11/430712511.db2.gz	SHKZJYHJIZOQFJ-KRWDZBQOSA-N	0	3	307.821	2.671	20	30		DFEDHN
C=CCCCN(Cc1cncs1)C1CCN(C(C)=O)CC1	ZINC000292366271	335089008	/nfs/dbraw/zinc/08/90/08/335089008.db2.gz	IOKITBNNBGXCII-UHFFFAOYSA-N	0	3	307.463	2.922	20	30		DFEDHN
C=C(CNC[C@H](O)COCc1cccs1)c1ccccc1	ZINC000644647230	430779233	/nfs/dbraw/zinc/77/92/33/430779233.db2.gz	JDNMRQXJSWAAPY-INIZCTEOSA-N	0	3	303.427	2.929	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2O[C@@H](C)C3)nc(C)n1	ZINC000651596183	430826981	/nfs/dbraw/zinc/82/69/81/430826981.db2.gz	LQIULGDCELZFJV-XHDPSFHLSA-N	0	3	307.353	2.907	20	30		DFEDHN
C=CCN(CC(=O)NCCOc1ccc(F)cc1)C(C)(C)C	ZINC000661756365	430830924	/nfs/dbraw/zinc/83/09/24/430830924.db2.gz	LWAOERQFPWPKMX-UHFFFAOYSA-N	0	3	308.397	2.607	20	30		DFEDHN
C=CCN(CC(=O)NCc1cccc(OCC)c1)C(C)(C)C	ZINC000661756630	430832341	/nfs/dbraw/zinc/83/23/41/430832341.db2.gz	UAMUOPUOAZVNHR-UHFFFAOYSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(F)F)nc2)CC1	ZINC000654748507	430805957	/nfs/dbraw/zinc/80/59/57/430805957.db2.gz	FKFYNYZUDOKTRA-UHFFFAOYSA-N	0	3	309.360	2.790	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(OC)o1)C(C)C	ZINC000654781677	430810959	/nfs/dbraw/zinc/81/09/59/430810959.db2.gz	MYHAOURMFQDVON-AWEZNQCLSA-N	0	3	306.406	2.717	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000661878812	430881381	/nfs/dbraw/zinc/88/13/81/430881381.db2.gz	GKYSJRMRIWHDLB-KSZLIROESA-N	0	3	320.477	2.857	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000661881852	430882236	/nfs/dbraw/zinc/88/22/36/430882236.db2.gz	URCSCLVTEQAKAU-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000292388843	335089255	/nfs/dbraw/zinc/08/92/55/335089255.db2.gz	NMXXOUWDQOAWTK-INIZCTEOSA-N	0	3	310.441	2.543	20	30		DFEDHN
C=C[C@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1	ZINC000659260193	431003545	/nfs/dbraw/zinc/00/35/45/431003545.db2.gz	FMYZYQJREXVCQS-KXBFYZLASA-N	0	3	324.424	2.826	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3	ZINC000662315879	431044169	/nfs/dbraw/zinc/04/41/69/431044169.db2.gz	VMFOTIYFBTVTJE-YTQUADARSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCCCCCN1CCN(c2ccc(OCC)nn2)CC1	ZINC000662252061	431015821	/nfs/dbraw/zinc/01/58/21/431015821.db2.gz	IGICHHHNDZCNAG-UHFFFAOYSA-N	0	3	304.438	2.744	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000649388077	431085108	/nfs/dbraw/zinc/08/51/08/431085108.db2.gz	XZDLNHGXOAJFIW-KSSFIOAISA-N	0	3	320.433	2.517	20	30		DFEDHN
C=CCCCN(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000649536652	431147252	/nfs/dbraw/zinc/14/72/52/431147252.db2.gz	AMPKTTSCSVVFLN-UHFFFAOYSA-N	0	3	308.447	2.525	20	30		DFEDHN
C=C(CC)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000649745410	431270343	/nfs/dbraw/zinc/27/03/43/431270343.db2.gz	NLPCQHVNJLXUPY-UHFFFAOYSA-N	0	3	322.474	2.881	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(Br)cnn2)CC1	ZINC000663568186	431468152	/nfs/dbraw/zinc/46/81/52/431468152.db2.gz	RIMCGJJCSJCLSC-UHFFFAOYSA-N	0	3	311.227	2.692	20	30		DFEDHN
C=CCCn1cc(CN(CCC)CCN2CCCCC2)nn1	ZINC000653672944	431486142	/nfs/dbraw/zinc/48/61/42/431486142.db2.gz	CIGDDPPILUQSCX-UHFFFAOYSA-N	0	3	305.470	2.552	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(CC2CC2)C1	ZINC000660703472	431558188	/nfs/dbraw/zinc/55/81/88/431558188.db2.gz	UDYZIMAKRYIWKY-IXDOHACOSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCC1(NS(=O)(=O)c2ccc(CN(C)C)cc2)CCCC1	ZINC000657189444	431621745	/nfs/dbraw/zinc/62/17/45/431621745.db2.gz	KUZDQYYTPISGSM-UHFFFAOYSA-N	0	3	322.474	2.915	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1Cc1ccccc1	ZINC000661119388	431739527	/nfs/dbraw/zinc/73/95/27/431739527.db2.gz	RVKCKVJLCZFRLV-IAGOWNOFSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](C)C2(CO)CC2)ccc1OC	ZINC000657603572	431824030	/nfs/dbraw/zinc/82/40/30/431824030.db2.gz	PIRWTGVFXNEECR-AWEZNQCLSA-N	0	3	305.418	2.901	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N[C@H]2CCOc3ccccc32)C1	ZINC000661379387	431836557	/nfs/dbraw/zinc/83/65/57/431836557.db2.gz	XSUVPTCSZGSQBX-WBVHZDCISA-N	0	3	314.429	2.915	20	30		DFEDHN
Cc1nc(N2CCC[C@H](N3CCCC3)C2)c(Cl)cc1C#N	ZINC000359884432	281926949	/nfs/dbraw/zinc/92/69/49/281926949.db2.gz	WDLTULVANOLRQF-AWEZNQCLSA-N	0	3	304.825	2.980	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCSC2)CC1	ZINC000371944988	290219911	/nfs/dbraw/zinc/21/99/11/290219911.db2.gz	ZMGCMYAPJFUPBZ-PBHICJAKSA-N	0	3	301.459	2.742	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)[C@@H](C3CC3)N3CCCC3)CC2)c1	ZINC000273760028	294959572	/nfs/dbraw/zinc/95/95/72/294959572.db2.gz	URSZZPHZFOVDJI-QGZVFWFLSA-N	0	3	309.413	2.538	20	30		DFEDHN
N#Cc1ccccc1OCCNC1(c2ccc3c(c2)OCO3)CC1	ZINC000537132397	301295168	/nfs/dbraw/zinc/29/51/68/301295168.db2.gz	CQJJVWGVFNMNJP-UHFFFAOYSA-N	0	3	322.364	2.945	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1	ZINC000537307202	301297702	/nfs/dbraw/zinc/29/77/02/301297702.db2.gz	MHNCKODDPYUPLN-MAZHCROVSA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000559316217	301870137	/nfs/dbraw/zinc/87/01/37/301870137.db2.gz	RDMOMDXOBIXAKQ-IJLUTSLNSA-N	0	3	321.371	2.714	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000563109236	302037684	/nfs/dbraw/zinc/03/76/84/302037684.db2.gz	KJLRPAKSNUOSBK-ZWKOTPCHSA-N	0	3	314.429	2.940	20	30		DFEDHN
CC(C)CN(CCNC(=O)NC(C)C)Cc1ccc(C#N)cc1	ZINC000566155703	302264211	/nfs/dbraw/zinc/26/42/11/302264211.db2.gz	JCANQBLJUQERRL-UHFFFAOYSA-N	0	3	316.449	2.724	20	30		DFEDHN
CC[C@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C[C@H](C)O	ZINC000567442779	302358780	/nfs/dbraw/zinc/35/87/80/302358780.db2.gz	GNQXXVSZMUDMGN-STQMWFEESA-N	0	3	323.387	2.777	20	30		DFEDHN
CN1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccccc1	ZINC000567828133	302390981	/nfs/dbraw/zinc/39/09/81/302390981.db2.gz	AEILJWZLTKRGLJ-DOTOQJQBSA-N	0	3	321.384	2.520	20	30		DFEDHN
C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2	ZINC000574088595	302739489	/nfs/dbraw/zinc/73/94/89/302739489.db2.gz	FKJMPMHQXVTEAO-NASFRUCTSA-N	0	3	311.429	2.889	20	30		DFEDHN
C[C@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccc(F)cc1	ZINC000174603053	315964539	/nfs/dbraw/zinc/96/45/39/315964539.db2.gz	JOHMEYJGIMYUIA-CYBMUJFWSA-N	0	3	324.359	2.902	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccnc1	ZINC000175008147	315967641	/nfs/dbraw/zinc/96/76/41/315967641.db2.gz	OIWFRICCPHASBT-NSHDSACASA-N	0	3	300.387	2.694	20	30		DFEDHN
N#Cc1ccc(CNCCc2cc(F)cc3c2OCOC3)s1	ZINC000176962921	315979437	/nfs/dbraw/zinc/97/94/37/315979437.db2.gz	JUKJFGGUYDFFEH-UHFFFAOYSA-N	0	3	318.373	2.958	20	30		DFEDHN
CCc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1	ZINC000321944788	316257415	/nfs/dbraw/zinc/25/74/15/316257415.db2.gz	BZCYODOCIXJLPO-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CCCc2ccccc2C1	ZINC000324827267	316262686	/nfs/dbraw/zinc/26/26/86/316262686.db2.gz	YAXQZIUSJZZWJL-LJQANCHMSA-N	0	3	322.408	2.746	20	30		DFEDHN
C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000545317826	317840957	/nfs/dbraw/zinc/84/09/57/317840957.db2.gz	BOSJZWGCKORXHM-QRWLVFNGSA-N	0	3	321.424	2.908	20	30		DFEDHN
CN(C)[C@H](CNc1cncc(C#N)n1)c1ccc(Cl)cc1	ZINC000557633182	317874838	/nfs/dbraw/zinc/87/48/38/317874838.db2.gz	NIBGIICPVSFUOU-CQSZACIVSA-N	0	3	301.781	2.716	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000576485701	318129756	/nfs/dbraw/zinc/12/97/56/318129756.db2.gz	QICAZXKOUBIPPK-OKZBNKHCSA-N	0	3	311.429	2.652	20	30		DFEDHN
CC[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000577027964	318166178	/nfs/dbraw/zinc/16/61/78/318166178.db2.gz	MWTHQLIELAFJRC-ZACQAIPSSA-N	0	3	320.458	2.955	20	30		DFEDHN
CC(C)(C)N1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1	ZINC000577186283	318176714	/nfs/dbraw/zinc/17/67/14/318176714.db2.gz	OJINZXOZAGVOMB-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
N#Cc1ccncc1N1CCN(c2ccnc3ccccc32)CC1	ZINC000578003354	318231444	/nfs/dbraw/zinc/23/14/44/318231444.db2.gz	ZMFJPEQILFMVMK-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1	ZINC000578169591	318242720	/nfs/dbraw/zinc/24/27/20/318242720.db2.gz	WCLCYMDZTPBGGY-IRXDYDNUSA-N	0	3	320.820	2.621	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@@H](c4ccccc4)C3)cnc12	ZINC000578237764	318247740	/nfs/dbraw/zinc/24/77/40/318247740.db2.gz	JPQILHOCGWQOPR-MRXNPFEDSA-N	0	3	303.369	2.590	20	30		DFEDHN
C[C@@H]1CSCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000190412344	323230796	/nfs/dbraw/zinc/23/07/96/323230796.db2.gz	CHPRLGSCFZJGDV-NSHDSACASA-N	0	3	309.460	2.633	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCC1	ZINC000382783174	323302265	/nfs/dbraw/zinc/30/22/65/323302265.db2.gz	VDFHTWFGYXADGP-QGZVFWFLSA-N	0	3	320.458	2.890	20	30		DFEDHN
CC1(C)CN(CCCOc2cccc(C#N)c2)[C@@H]2COC[C@@H]21	ZINC000384861036	323308386	/nfs/dbraw/zinc/30/83/86/323308386.db2.gz	KPQNFOJYWJEZMO-DLBZAZTESA-N	0	3	300.402	2.684	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2=O)cc1	ZINC000248883426	332880799	/nfs/dbraw/zinc/88/07/99/332880799.db2.gz	LIGAZKJTPRBFAQ-KURKYZTESA-N	0	3	311.429	2.768	20	30		DFEDHN
C=CC[C@H](C(=O)NC1CCN(CCOC)CC1)c1ccccc1	ZINC000188621300	331675275	/nfs/dbraw/zinc/67/52/75/331675275.db2.gz	YTYNVBMFGLNBOB-SFHVURJKSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000299358443	331687378	/nfs/dbraw/zinc/68/73/78/331687378.db2.gz	XOHXVJWQRLFEOC-SJLPKXTDSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C\c2ccccc2F)CC1	ZINC000255565506	331772069	/nfs/dbraw/zinc/77/20/69/331772069.db2.gz	TWEZEKRQJBNETK-ALCCZGGFSA-N	0	3	302.393	2.996	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nnc(CC2CCCCC2)s1	ZINC000569358181	332032275	/nfs/dbraw/zinc/03/22/75/332032275.db2.gz	MKCQLGIYCWRJOJ-LBPRGKRZSA-N	0	3	321.450	2.621	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)cc3cccnc32)CC1	ZINC000091794116	332087344	/nfs/dbraw/zinc/08/73/44/332087344.db2.gz	GRWSTIMUPQDIIW-UHFFFAOYSA-N	0	3	307.397	2.827	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1	ZINC000104529134	332948052	/nfs/dbraw/zinc/94/80/52/332948052.db2.gz	CARCSJXPAMFSPP-UHFFFAOYSA-N	0	3	304.434	2.911	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000367517733	332226826	/nfs/dbraw/zinc/22/68/26/332226826.db2.gz	LHNFIWCLQCHDJU-MOPGFXCFSA-N	0	3	310.441	2.784	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CCC1)C1CC1	ZINC000104701526	332247532	/nfs/dbraw/zinc/24/75/32/332247532.db2.gz	FHDOEKJXVWXEMW-MOPGFXCFSA-N	0	3	311.429	2.926	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000448031811	332253473	/nfs/dbraw/zinc/25/34/73/332253473.db2.gz	SCMHLGPFIHSAIG-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2	ZINC000119635210	332259719	/nfs/dbraw/zinc/25/97/19/332259719.db2.gz	SPSCCVFFXLPSPU-UHFFFAOYSA-N	0	3	313.401	2.914	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000292908283	335097443	/nfs/dbraw/zinc/09/74/43/335097443.db2.gz	WPJWOBDTGXDDKU-UHFFFAOYSA-N	0	3	306.381	2.679	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C	ZINC000370875578	332274556	/nfs/dbraw/zinc/27/45/56/332274556.db2.gz	GSWSFWQCYJOLAW-DLBZAZTESA-N	0	3	314.429	2.950	20	30		DFEDHN
C=CC(C)(C)CNCc1c(C)nn(C)c1OCC(F)(F)F	ZINC000449485192	332284514	/nfs/dbraw/zinc/28/45/14/332284514.db2.gz	KZMYUVKMNFOLHV-UHFFFAOYSA-N	0	3	305.344	2.971	20	30		DFEDHN
C=CCC(F)(F)C(=O)Nc1ccnn1C1CCN(CC)CC1	ZINC000293015998	335099549	/nfs/dbraw/zinc/09/95/49/335099549.db2.gz	FAAXEJSJQSSWOG-UHFFFAOYSA-N	0	3	312.364	2.690	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccn(C3CCCC3)n2)CC1	ZINC000152979184	332338210	/nfs/dbraw/zinc/33/82/10/332338210.db2.gz	PJYKBZZBHGKLBB-UHFFFAOYSA-N	0	3	316.449	2.769	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000120582041	332387752	/nfs/dbraw/zinc/38/77/52/332387752.db2.gz	DPSNXFHMOORGHA-DOTOQJQBSA-N	0	3	322.412	2.741	20	30		DFEDHN
C=CCC(F)(F)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000293905246	335115669	/nfs/dbraw/zinc/11/56/69/335115669.db2.gz	LJSWGDLNLXOEMA-AWEZNQCLSA-N	0	3	312.360	2.626	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000171076277	333044871	/nfs/dbraw/zinc/04/48/71/333044871.db2.gz	JWLGZIGEDYTEIX-OAHLLOKOSA-N	0	3	300.406	2.656	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H](CO)CC2)cc(OC)c1O	ZINC000294145276	335118718	/nfs/dbraw/zinc/11/87/18/335118718.db2.gz	VBVMVKGCSSFRPH-CQSZACIVSA-N	0	3	305.418	2.724	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H](CO)CC2)cc(OC)c1O	ZINC000294145260	335118785	/nfs/dbraw/zinc/11/87/85/335118785.db2.gz	VBVMVKGCSSFRPH-AWEZNQCLSA-N	0	3	305.418	2.724	20	30		DFEDHN
C#CCO[C@H](C)C(=O)Nc1cccc(CN2CCCCC2)c1	ZINC000294329913	335121368	/nfs/dbraw/zinc/12/13/68/335121368.db2.gz	DWCSMPGQDXWISF-OAHLLOKOSA-N	0	3	300.402	2.649	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCn3ncnc32)c([O-])c1	ZINC000176448869	333113464	/nfs/dbraw/zinc/11/34/64/333113464.db2.gz	ULYGBOIQQWNNQM-CLXYIWAZSA-N	0	3	313.405	2.784	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000294400028	335121735	/nfs/dbraw/zinc/12/17/35/335121735.db2.gz	CKOOTCQZHIAOKI-GFCCVEGCSA-N	0	3	303.328	2.741	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCCCC#N	ZINC000179272604	333148732	/nfs/dbraw/zinc/14/87/32/333148732.db2.gz	YBOQGPSMZMCZHM-UHFFFAOYSA-N	0	3	316.449	2.890	20	30		DFEDHN
CC[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F	ZINC000179636690	333153585	/nfs/dbraw/zinc/15/35/85/333153585.db2.gz	JWZRRHOZSRDSBU-HNNXBMFYSA-N	0	3	309.360	2.768	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000294674302	335125369	/nfs/dbraw/zinc/12/53/69/335125369.db2.gz	SAXYXROUMSLIPP-SWLSCSKDSA-N	0	3	304.390	2.649	20	30		DFEDHN
Cc1ccc(CN2CCC(CNC(=O)C(C)(C)C#N)CC2)cc1	ZINC000106828808	333163376	/nfs/dbraw/zinc/16/33/76/333163376.db2.gz	WCNLSYNDNFDGMA-UHFFFAOYSA-N	0	3	313.445	2.873	20	30		DFEDHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(Cl)c1	ZINC000180741398	333164943	/nfs/dbraw/zinc/16/49/43/333164943.db2.gz	YNMZZVUOPZOJLG-LLVKDONJSA-N	0	3	311.788	2.892	20	30		DFEDHN
C#CCCCCC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000185292375	335126491	/nfs/dbraw/zinc/12/64/91/335126491.db2.gz	BYCILWLLXVVOAV-UHFFFAOYSA-N	0	3	313.445	2.961	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1	ZINC000294797854	335127399	/nfs/dbraw/zinc/12/73/99/335127399.db2.gz	BOFWVPNRMABCRB-ZBFHGGJFSA-N	0	3	314.429	2.535	20	30		DFEDHN
Cn1cc([C@@H](NCCCSCC#N)c2ccc(F)cc2)cn1	ZINC000185419034	333208704	/nfs/dbraw/zinc/20/87/04/333208704.db2.gz	KAJPHEZYBKZVCJ-INIZCTEOSA-N	0	3	318.421	2.885	20	30		DFEDHN
N#CCNC(=O)CN[C@H](CCCc1ccccc1)c1ccccc1	ZINC000108851330	333211565	/nfs/dbraw/zinc/21/15/65/333211565.db2.gz	JLUUBYHYPMPJNC-LJQANCHMSA-N	0	3	321.424	2.980	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccccc2CN2CCOCC2)C1	ZINC000185760002	333213632	/nfs/dbraw/zinc/21/36/32/333213632.db2.gz	WMICFEHWTXWTBB-VQIMIIECSA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000185786744	333213968	/nfs/dbraw/zinc/21/39/68/333213968.db2.gz	STJPTFHIQFDIND-ZBFHGGJFSA-N	0	3	317.408	2.834	20	30		DFEDHN
CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H](C#N)C2)c1	ZINC000185817853	333214527	/nfs/dbraw/zinc/21/45/27/333214527.db2.gz	LWRFUUKEUKIFDQ-HUUCEWRRSA-N	0	3	301.390	2.696	20	30		DFEDHN
CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@H](C#N)C1	ZINC000185865947	333215310	/nfs/dbraw/zinc/21/53/10/333215310.db2.gz	QSTIVDBLTBHDMN-JYJNAYRXSA-N	0	3	320.458	2.911	20	30		DFEDHN
CN(C)C(=O)OC[C@H]1CCCCN1Cc1ccc(CC#N)cc1	ZINC000497228916	333225332	/nfs/dbraw/zinc/22/53/32/333225332.db2.gz	BGGMQMXNICJUKJ-QGZVFWFLSA-N	0	3	315.417	2.805	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(OC2CCN(C)CC2)nc1	ZINC000364065009	333230988	/nfs/dbraw/zinc/23/09/88/333230988.db2.gz	KCMIPCZIRABSMY-UHFFFAOYSA-N	0	3	315.417	2.687	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@H](C)OC)cc1OCCCC#N	ZINC000189111398	333254934	/nfs/dbraw/zinc/25/49/34/333254934.db2.gz	YXZKVAIXSVMYKL-KBPBESRZSA-N	0	3	306.406	2.891	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000119710955	333256932	/nfs/dbraw/zinc/25/69/32/333256932.db2.gz	AFRGGFIXPARPMF-WBVHZDCISA-N	0	3	311.429	2.707	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@H]2CO)cc1OCCCC#N	ZINC000191180519	333278172	/nfs/dbraw/zinc/27/81/72/333278172.db2.gz	LNANQTHWXXVDBR-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](c1cccnc1)C1CCCCC1	ZINC000364518173	333324180	/nfs/dbraw/zinc/32/41/80/333324180.db2.gz	DNOBGHGHJCPFFC-YOEHRIQHSA-N	0	3	301.434	2.983	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1	ZINC000111256819	333328176	/nfs/dbraw/zinc/32/81/76/333328176.db2.gz	PWUBEJBPHRJIOA-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1cnn(CCN2CCCCC2)c1	ZINC000364940588	333333195	/nfs/dbraw/zinc/33/31/95/333333195.db2.gz	MTCGMJNWMHFKNH-HNNXBMFYSA-N	0	3	304.438	2.910	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)C[C@H]2CCCN2CC)cc1	ZINC000295471305	335135164	/nfs/dbraw/zinc/13/51/64/335135164.db2.gz	ZHAYOLBJBNVDKF-QGZVFWFLSA-N	0	3	314.429	2.645	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(Cc3ccccc3F)CC2)C1=O	ZINC000337132529	333439869	/nfs/dbraw/zinc/43/98/69/333439869.db2.gz	AKIHYIPBMPTTLO-GOSISDBHSA-N	0	3	316.420	2.867	20	30		DFEDHN
N#CC1(CCCN[C@@H](CO)c2cccc(F)c2)CCOCC1	ZINC000337182975	333442770	/nfs/dbraw/zinc/44/27/70/333442770.db2.gz	BORVLALBYUDOTA-INIZCTEOSA-N	0	3	306.381	2.549	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)C1	ZINC000338913537	333502167	/nfs/dbraw/zinc/50/21/67/333502167.db2.gz	RKZBMNVDVSSRPU-INMHGKMJSA-N	0	3	303.450	2.649	20	30		DFEDHN
CC(C)C1CCC(N2CCN(CCOCCC#N)CC2)CC1	ZINC000339017549	333505987	/nfs/dbraw/zinc/50/59/87/333505987.db2.gz	PLODCUFWBLNHTI-UHFFFAOYSA-N	0	3	307.482	2.749	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCCC[C@@H]2C)CC1	ZINC000112905850	333514934	/nfs/dbraw/zinc/51/49/34/333514934.db2.gz	RLAKUYMDMHTBNC-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCc2cccc(CO)c2)cc1	ZINC000237199909	333517415	/nfs/dbraw/zinc/51/74/15/333517415.db2.gz	JXBGDPSFRJIDEY-UHFFFAOYSA-N	0	3	309.413	2.819	20	30		DFEDHN
Cc1cccc(N(CCC#N)C(=O)CSCCN(C)C)c1C	ZINC000339687829	333530595	/nfs/dbraw/zinc/53/05/95/333530595.db2.gz	JBEUABPAUIKMTE-UHFFFAOYSA-N	0	3	319.474	2.845	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1	ZINC000296839295	335146855	/nfs/dbraw/zinc/14/68/55/335146855.db2.gz	JENMRJGQQNFBED-CYBMUJFWSA-N	0	3	323.387	2.622	20	30		DFEDHN
OC[C@@]1([C@@H](NCC#Cc2ccc(Cl)cc2)C2CC2)CCCO1	ZINC000339766165	333600070	/nfs/dbraw/zinc/60/00/70/333600070.db2.gz	GMFKOXQIDPOXEL-ZWKOTPCHSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	ZINC000296938687	335150097	/nfs/dbraw/zinc/15/00/97/335150097.db2.gz	PKUGPKFACXDVSM-CQSZACIVSA-N	0	3	321.852	2.998	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cc(F)ccc1F	ZINC000296975467	335150420	/nfs/dbraw/zinc/15/04/20/335150420.db2.gz	RSJNCAMPFLOVGQ-CYBMUJFWSA-N	0	3	323.387	2.622	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](SC)C(C)(C)C)CC1	ZINC000343766477	335191555	/nfs/dbraw/zinc/19/15/55/335191555.db2.gz	NJZGXZXJGZRCII-AWEZNQCLSA-N	0	3	313.511	2.714	20	30		DFEDHN
N#CC1(CCN2CCN(CC3CCOCC3)CC2)CCCCC1	ZINC000411271055	333648158	/nfs/dbraw/zinc/64/81/58/333648158.db2.gz	DRQPQDSTGSZKAN-UHFFFAOYSA-N	0	3	319.493	2.895	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccccc1	ZINC000270659298	334015149	/nfs/dbraw/zinc/01/51/49/334015149.db2.gz	OBZDZGVGSAHYLS-RBUKOAKNSA-N	0	3	319.408	2.928	20	30		DFEDHN
CCN(CCCO)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000271201758	334020085	/nfs/dbraw/zinc/02/00/85/334020085.db2.gz	QAXXEQCORBGZPO-UHFFFAOYSA-N	0	3	312.417	2.668	20	30		DFEDHN
C=CCOc1ccc(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1	ZINC000414563604	334020627	/nfs/dbraw/zinc/02/06/27/334020627.db2.gz	WJNBKZCTOOWZGV-MRXNPFEDSA-N	0	3	302.418	2.740	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1n1ccnc1	ZINC000271283014	334020685	/nfs/dbraw/zinc/02/06/85/334020685.db2.gz	LBEFZIDDMNKOHD-CRAIPNDOSA-N	0	3	310.401	2.869	20	30		DFEDHN
CCc1ccc([C@@H]2CCCN2CCC(=O)N(C)CCC#N)o1	ZINC000271487330	334024206	/nfs/dbraw/zinc/02/42/06/334024206.db2.gz	FAAHOUPMGFBOKS-HNNXBMFYSA-N	0	3	303.406	2.741	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H](CO)[C@@H]2C)cc(OC)c1O	ZINC000414575446	334024727	/nfs/dbraw/zinc/02/47/27/334024727.db2.gz	NIQOCXMGAMZURW-BBRMVZONSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H](CO)[C@@H]2C)cc(OC)c1O	ZINC000414575460	334025023	/nfs/dbraw/zinc/02/50/23/334025023.db2.gz	NIQOCXMGAMZURW-XJKSGUPXSA-N	0	3	305.418	2.722	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)cc1C	ZINC000271736946	334026296	/nfs/dbraw/zinc/02/62/96/334026296.db2.gz	HSTCSNJTTXNIAH-ZBFHGGJFSA-N	0	3	301.434	2.962	20	30		DFEDHN
C[C@H](NCCOc1ncccc1F)c1ccc(OCC#N)cc1	ZINC000271874058	334027936	/nfs/dbraw/zinc/02/79/36/334027936.db2.gz	NKZIWKALFMWNKF-ZDUSSCGKSA-N	0	3	315.348	2.853	20	30		DFEDHN
CC(C)(C#N)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000271997979	334029380	/nfs/dbraw/zinc/02/93/80/334029380.db2.gz	GOUBTWQNTWKBFN-HNNXBMFYSA-N	0	3	318.396	2.961	20	30		DFEDHN
CCOCCN(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000272334769	334033408	/nfs/dbraw/zinc/03/34/08/334033408.db2.gz	GCCFCNSOKAKIJO-UHFFFAOYSA-N	0	3	306.406	2.846	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC#N	ZINC000274461034	334061602	/nfs/dbraw/zinc/06/16/02/334061602.db2.gz	XJVYTMKWFVZXBE-KRWDZBQOSA-N	0	3	316.449	2.746	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1	ZINC000274670484	334064996	/nfs/dbraw/zinc/06/49/96/334064996.db2.gz	XTPUUVUBVORFEX-YDHLFZDLSA-N	0	3	306.431	2.823	20	30		DFEDHN
N#CCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1	ZINC000275779470	334073260	/nfs/dbraw/zinc/07/32/60/334073260.db2.gz	BXFOSFYPQFIOPE-SFHVURJKSA-N	0	3	300.402	2.980	20	30		DFEDHN
CN1C(=O)C[C@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000276934820	334085569	/nfs/dbraw/zinc/08/55/69/334085569.db2.gz	AYOMHZQBOZEFMC-ZFWWWQNUSA-N	0	3	309.772	2.644	20	30		DFEDHN
CN1C(=O)C[C@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000276934807	334085680	/nfs/dbraw/zinc/08/56/80/334085680.db2.gz	AYOMHZQBOZEFMC-DZGCQCFKSA-N	0	3	309.772	2.644	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1	ZINC000277708322	334090175	/nfs/dbraw/zinc/09/01/75/334090175.db2.gz	IFTDGUMZYXPTGZ-RYQLBKOJSA-N	0	3	313.445	2.920	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CN1C1CC1	ZINC000279895676	334112730	/nfs/dbraw/zinc/11/27/30/334112730.db2.gz	MJUWUIIXBIUGFD-BBRMVZONSA-N	0	3	311.429	2.843	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038351	334113790	/nfs/dbraw/zinc/11/37/90/334113790.db2.gz	VHOZFLBPVNUKDG-SUMWQHHRSA-N	0	3	311.429	2.700	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280253220	334115860	/nfs/dbraw/zinc/11/58/60/334115860.db2.gz	UKWZGMHFEQSDNX-YOEHRIQHSA-N	0	3	313.445	2.900	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccc(CC#N)cc1)Cc1ccccc1	ZINC000340065286	334121709	/nfs/dbraw/zinc/12/17/09/334121709.db2.gz	YVCOIHPMAHBQQU-LJQANCHMSA-N	0	3	321.424	2.655	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccc(CC#N)cc1)Cc1ccccc1	ZINC000340065285	334121775	/nfs/dbraw/zinc/12/17/75/334121775.db2.gz	YVCOIHPMAHBQQU-IBGZPJMESA-N	0	3	321.424	2.655	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@H]2C1	ZINC000281097204	334123067	/nfs/dbraw/zinc/12/30/67/334123067.db2.gz	GIPFMNVSPZEWEU-YOEHRIQHSA-N	0	3	311.429	2.654	20	30		DFEDHN
CCNc1nc(NC(C)(C)C)nc(N2CCC(C)(C#N)CC2)n1	ZINC000286409037	334153027	/nfs/dbraw/zinc/15/30/27/334153027.db2.gz	GLTZFWWRXXGSRI-UHFFFAOYSA-N	0	3	317.441	2.644	20	30		DFEDHN
COc1ccc(CNCC2=CCCOC2)cc1OCCCC#N	ZINC000288492951	334160524	/nfs/dbraw/zinc/16/05/24/334160524.db2.gz	RDPNTQHOQASMSX-UHFFFAOYSA-N	0	3	316.401	2.814	20	30		DFEDHN
N#CC1CCC(CNCc2cnc(C3OCCO3)s2)CC1	ZINC000289738473	334167423	/nfs/dbraw/zinc/16/74/23/334167423.db2.gz	PFOHLHPGBGBGLA-UHFFFAOYSA-N	0	3	307.419	2.608	20	30		DFEDHN
CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000291378773	334178031	/nfs/dbraw/zinc/17/80/31/334178031.db2.gz	DYSGRSJPCPXFOE-QFBILLFUSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#CCCCC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000291774591	334181737	/nfs/dbraw/zinc/18/17/37/334181737.db2.gz	WEFJKBFJOUDSAO-UHFFFAOYSA-N	0	3	313.445	2.847	20	30		DFEDHN
CN(CCOCCC#N)Cc1cccc(OC(F)(F)F)c1	ZINC000292829587	334193030	/nfs/dbraw/zinc/19/30/30/334193030.db2.gz	OSRJBDDVHRSRGY-UHFFFAOYSA-N	0	3	302.296	2.947	20	30		DFEDHN
N#CCCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000293269835	334196851	/nfs/dbraw/zinc/19/68/51/334196851.db2.gz	LNEDXKOMOFLEQN-IBGZPJMESA-N	0	3	311.429	2.805	20	30		DFEDHN
COc1ccc([C@H]2CCCN2CCOCCC#N)cc1OC	ZINC000293546594	334199010	/nfs/dbraw/zinc/19/90/10/334199010.db2.gz	QTUNLWKMCHXOSL-OAHLLOKOSA-N	0	3	304.390	2.771	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)[C@@H](C)CO	ZINC000293768067	334202199	/nfs/dbraw/zinc/20/21/99/334202199.db2.gz	YGYICYSTNLSSBA-AWEZNQCLSA-N	0	3	306.406	2.580	20	30		DFEDHN
CN(C)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1	ZINC000294382715	334208867	/nfs/dbraw/zinc/20/88/67/334208867.db2.gz	OEMXCDQKBBQGGI-VQIMIIECSA-N	0	3	311.429	2.880	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1	ZINC000294382706	334208877	/nfs/dbraw/zinc/20/88/77/334208877.db2.gz	OEMXCDQKBBQGGI-LPHOPBHVSA-N	0	3	311.429	2.880	20	30		DFEDHN
N#CC1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[n-]2)CC1	ZINC000294453305	334209773	/nfs/dbraw/zinc/20/97/73/334209773.db2.gz	VUWPSVHCSIWWNW-YIZWMMSDSA-N	0	3	301.419	2.875	20	30		DFEDHN
N#CC1CCC(CN[C@@H](c2cccs2)c2nnc[nH]2)CC1	ZINC000294453305	334209774	/nfs/dbraw/zinc/20/97/74/334209774.db2.gz	VUWPSVHCSIWWNW-YIZWMMSDSA-N	0	3	301.419	2.875	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(CC#N)cc3)C2)C1	ZINC000296271439	334231076	/nfs/dbraw/zinc/23/10/76/334231076.db2.gz	IKRHSJBWVQXQOG-GOSISDBHSA-N	0	3	312.417	2.702	20	30		DFEDHN
C=C(C)COc1cc(CN2CCN(C)C[C@@H]2C)ccc1OC	ZINC000353600251	334249207	/nfs/dbraw/zinc/24/92/07/334249207.db2.gz	YFHAXNLJYQQKRP-HNNXBMFYSA-N	0	3	304.434	2.786	20	30		DFEDHN
CCN(CC)[C@@H](C/N=C/c1ccc(O)c(O)c1O)c1ccco1	ZINC000299278306	334254407	/nfs/dbraw/zinc/25/44/07/334254407.db2.gz	AMQCUOYRRKXXDR-SGPNVBEDSA-N	0	3	318.373	2.898	20	30		DFEDHN
CC(C)(C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000299380737	334255005	/nfs/dbraw/zinc/25/50/05/334255005.db2.gz	ZOLKLNHENNCDSA-UHFFFAOYSA-N	0	3	311.429	2.585	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](SC)C1	ZINC000583481740	334263476	/nfs/dbraw/zinc/26/34/76/334263476.db2.gz	ZEXYGSUGMJUWHI-CVEARBPZSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NC[C@H]1Cc2ccccc2O1	ZINC000531904217	334283167	/nfs/dbraw/zinc/28/31/67/334283167.db2.gz	GYHHRKPHTOCPDB-QGZVFWFLSA-N	0	3	316.445	2.785	20	30		DFEDHN
CC1CC(C#N)(C(=O)NC2CCN(Cc3ccccc3)CC2)C1	ZINC000303320071	334316851	/nfs/dbraw/zinc/31/68/51/334316851.db2.gz	IBAGZHPVSAEGAS-UHFFFAOYSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCCS(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000120322303	334317799	/nfs/dbraw/zinc/31/77/99/334317799.db2.gz	VQDPUYDKTXLWCZ-AWEZNQCLSA-N	0	3	310.463	2.611	20	30		DFEDHN
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCNCC1	ZINC000415159621	334318221	/nfs/dbraw/zinc/31/82/21/334318221.db2.gz	KAFDHBCYUNXOBT-CYBMUJFWSA-N	0	3	318.446	2.908	20	30		DFEDHN
C=CCOc1ccccc1CNCCNC(=O)OC(C)(C)C	ZINC000111395271	334324868	/nfs/dbraw/zinc/32/48/68/334324868.db2.gz	FNGUKCCZVAETBU-UHFFFAOYSA-N	0	3	306.406	2.866	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000340850626	334390266	/nfs/dbraw/zinc/39/02/66/334390266.db2.gz	NONHGEQCEHEKQJ-CKEIUWERSA-N	0	3	321.465	2.511	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccccc1OCC(F)(F)F	ZINC000341283225	334428560	/nfs/dbraw/zinc/42/85/60/334428560.db2.gz	DBDVATIPBNZKKP-LBPRGKRZSA-N	0	3	303.324	2.902	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000341892990	334492985	/nfs/dbraw/zinc/49/29/85/334492985.db2.gz	XMRCACPFPMFFBI-CHWSQXEVSA-N	0	3	320.824	2.756	20	30		DFEDHN
O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H](C1CC1)N1CCCC1	ZINC000328701198	334749783	/nfs/dbraw/zinc/74/97/83/334749783.db2.gz	NFGWKXCRJMUINH-HIFRSBDPSA-N	0	3	305.422	2.859	20	30		DFEDHN
CC(C)c1occc1C(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000331086403	334834191	/nfs/dbraw/zinc/83/41/91/334834191.db2.gz	PKGOYVRQXORDTD-AWEZNQCLSA-N	0	3	308.422	2.800	20	30		DFEDHN
CC(C)c1ccc(C(=O)NCC2CC[NH+](CCO)CC2)c([O-])c1	ZINC000331240284	334849922	/nfs/dbraw/zinc/84/99/22/334849922.db2.gz	PINRDSLZLYKSJY-UHFFFAOYSA-N	0	3	320.433	2.525	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2cc(C)ccc2F)CC1	ZINC000444200037	338469666	/nfs/dbraw/zinc/46/96/66/338469666.db2.gz	CCPFNQHKSLDMAI-UHFFFAOYSA-N	0	3	319.424	2.926	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2c(C)noc2C2CC2)CC1	ZINC000129883664	334918642	/nfs/dbraw/zinc/91/86/42/334918642.db2.gz	LSRIJQNAMSUEFV-UHFFFAOYSA-N	0	3	304.394	2.632	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1N(C)C	ZINC000343631895	335183091	/nfs/dbraw/zinc/18/30/91/335183091.db2.gz	BREMBRCYSIAWDF-CVEARBPZSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc(C)nc1)C(C)C	ZINC000344086576	335216676	/nfs/dbraw/zinc/21/66/76/335216676.db2.gz	DKDQUWXGTLWPEF-INIZCTEOSA-N	0	3	317.437	2.605	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3nsnc3c2)nc(C)n1	ZINC000344453579	335250006	/nfs/dbraw/zinc/25/00/06/335250006.db2.gz	RPLOWDWRDSIVCP-LLVKDONJSA-N	0	3	309.354	2.588	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc(F)cc([N+](=O)[O-])c2)nc(C)n1	ZINC000344552419	335261035	/nfs/dbraw/zinc/26/10/35/335261035.db2.gz	NSYMLUIGLIBOCX-ZDUSSCGKSA-N	0	3	314.276	2.631	20	30		DFEDHN
CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)C(C)C#N	ZINC000344683312	335266237	/nfs/dbraw/zinc/26/62/37/335266237.db2.gz	ARSQIUFMBDARLC-ZDUSSCGKSA-N	0	3	310.401	2.773	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CSc3ccccc32)CC1	ZINC000344797356	335278029	/nfs/dbraw/zinc/27/80/29/335278029.db2.gz	GSUDDVDMADPBIP-OAHLLOKOSA-N	0	3	317.458	2.783	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCF)c1)c1nccc2ccccc21	ZINC000344881516	335282549	/nfs/dbraw/zinc/28/25/49/335282549.db2.gz	MTMOOEAJBPICAN-HNNXBMFYSA-N	0	3	308.316	2.891	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@@H](C)[C@@H]1C	ZINC000345248212	335311855	/nfs/dbraw/zinc/31/18/55/335311855.db2.gz	SSBRWMPICBLYKO-YQQAZPJKSA-N	0	3	321.486	2.981	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)C(C)C#N)c1ccccc1Cl	ZINC000345661042	335344405	/nfs/dbraw/zinc/34/44/05/335344405.db2.gz	KADFWCOJFBCDBG-WFASDCNBSA-N	0	3	307.825	2.999	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000345756444	335348320	/nfs/dbraw/zinc/34/83/20/335348320.db2.gz	SMEHRKPTUNFINW-GDBMZVCRSA-N	0	3	305.422	2.502	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000346016180	335369853	/nfs/dbraw/zinc/36/98/53/335369853.db2.gz	LRAODEKAFRQSHL-ZGUYJTEBSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=CCC[C@@H](O)CNC1(c2ccc(OC)c(F)c2)CCOCC1	ZINC000444817876	338490138	/nfs/dbraw/zinc/49/01/38/338490138.db2.gz	VNMKGMUWOHKMDN-OAHLLOKOSA-N	0	3	323.408	2.757	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](CC(C)C)C1=O)C(C)C	ZINC000348138690	335556244	/nfs/dbraw/zinc/55/62/44/335556244.db2.gz	AXZMEZWRGRQKSJ-HOTGVXAUSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CC)cc2[O-])CC1	ZINC000191276242	335671812	/nfs/dbraw/zinc/67/18/12/335671812.db2.gz	YQQPEKQYBIDMKO-UHFFFAOYSA-N	0	3	302.418	2.725	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(Cl)cc2)CC1	ZINC000106039592	335793142	/nfs/dbraw/zinc/79/31/42/335793142.db2.gz	LTEDTNAAUJSPIC-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000329449096	335977332	/nfs/dbraw/zinc/97/73/32/335977332.db2.gz	DGENCCBCFCBFLE-GOEBONIOSA-N	0	3	302.422	2.628	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000329677771	336037637	/nfs/dbraw/zinc/03/76/37/336037637.db2.gz	VFUDUPPAUPWGRV-HOCLYGCPSA-N	0	3	304.438	2.543	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000351490166	336038098	/nfs/dbraw/zinc/03/80/98/336038098.db2.gz	DSEBAOKSRLQSIT-AWEZNQCLSA-N	0	3	306.454	2.775	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCO1	ZINC000329686022	336044433	/nfs/dbraw/zinc/04/44/33/336044433.db2.gz	UWALVSRHCRFLCL-PWSUYJOCSA-N	0	3	309.435	2.767	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2cncc3ccccc32)CC1	ZINC000351640022	336053961	/nfs/dbraw/zinc/05/39/61/336053961.db2.gz	CRZAGWHHQPQFIN-KRWDZBQOSA-N	0	3	311.429	2.684	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]1c1ccccc1	ZINC000329703291	336060736	/nfs/dbraw/zinc/06/07/36/336060736.db2.gz	IFMIMGSWQCYEOT-MRRJBJDNSA-N	0	3	310.401	2.874	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@@H]1c1ccccc1	ZINC000329703291	336060738	/nfs/dbraw/zinc/06/07/38/336060738.db2.gz	IFMIMGSWQCYEOT-MRRJBJDNSA-N	0	3	310.401	2.874	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CCC#N	ZINC000351807547	336069479	/nfs/dbraw/zinc/06/94/79/336069479.db2.gz	JYRGWGSOUMHASU-LSDHHAIUSA-N	0	3	308.470	2.736	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329747470	336076704	/nfs/dbraw/zinc/07/67/04/336076704.db2.gz	ZKWGFHMINSNSEO-OSAQELSMSA-N	0	3	322.478	2.835	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329747470	336076707	/nfs/dbraw/zinc/07/67/07/336076707.db2.gz	ZKWGFHMINSNSEO-OSAQELSMSA-N	0	3	322.478	2.835	20	30		DFEDHN
[O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCCc2ccccc2C1	ZINC000329750590	336078019	/nfs/dbraw/zinc/07/80/19/336078019.db2.gz	VCJDMUODVPDZBX-HNNXBMFYSA-N	0	3	310.401	2.629	20	30		DFEDHN
[O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCCc2ccccc2C1	ZINC000329750590	336078021	/nfs/dbraw/zinc/07/80/21/336078021.db2.gz	VCJDMUODVPDZBX-HNNXBMFYSA-N	0	3	310.401	2.629	20	30		DFEDHN
C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000329764018	336079261	/nfs/dbraw/zinc/07/92/61/336079261.db2.gz	VFTQUMIORGKXPW-ZDRJDWQYSA-N	0	3	317.433	2.503	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccncc2)on1	ZINC000329807416	336084487	/nfs/dbraw/zinc/08/44/87/336084487.db2.gz	ACILNWZCSLFSIR-ABAIWWIYSA-N	0	3	312.373	2.524	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1nc2c(s1)CCCC2	ZINC000329812524	336084894	/nfs/dbraw/zinc/08/48/94/336084894.db2.gz	SCCXVGMIUGQTIZ-ZWNOBZJWSA-N	0	3	320.462	2.831	20	30		DFEDHN
Cc1ncc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C2CC2)n1	ZINC000329816387	336085438	/nfs/dbraw/zinc/08/54/38/336085438.db2.gz	VWQHUFVCTGDJKI-ZWNOBZJWSA-N	0	3	300.406	2.592	20	30		DFEDHN
Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1	ZINC000329824961	336086548	/nfs/dbraw/zinc/08/65/48/336086548.db2.gz	HZJCUHWFKNMQGZ-RHSMWYFYSA-N	0	3	324.428	2.968	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCCCC1	ZINC000329846054	336088866	/nfs/dbraw/zinc/08/88/66/336088866.db2.gz	MBGDLURWKZNYSI-GDBMZVCRSA-N	0	3	304.438	2.734	20	30		DFEDHN
C[C@@H]1CCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)CC12CCC2	ZINC000329892300	336092879	/nfs/dbraw/zinc/09/28/79/336092879.db2.gz	ADPKDJDDHZGROI-HUUCEWRRSA-N	0	3	316.449	2.872	20	30		DFEDHN
CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1	ZINC000329908209	336094263	/nfs/dbraw/zinc/09/42/63/336094263.db2.gz	LMKREFUZINCPTE-CABCVRRESA-N	0	3	324.469	2.603	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCC[C@H]2OCC[C@H]21	ZINC000329950908	336098769	/nfs/dbraw/zinc/09/87/69/336098769.db2.gz	MOILQZLMWBOFJK-SPWCGHHHSA-N	0	3	320.437	2.561	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)CC(C)(C)C1	ZINC000329958599	336100034	/nfs/dbraw/zinc/10/00/34/336100034.db2.gz	QCPGLDZNQHOVRL-UONOGXRCSA-N	0	3	304.438	2.728	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1coc(C2CCOCC2)n1	ZINC000329965391	336100747	/nfs/dbraw/zinc/10/07/47/336100747.db2.gz	RCRRLGGXJJJYOC-CYBMUJFWSA-N	0	3	321.421	2.748	20	30		DFEDHN
CC(C)c1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)nn1C	ZINC000329972540	336101587	/nfs/dbraw/zinc/10/15/87/336101587.db2.gz	YDQVWWWNVDPRQD-AWEZNQCLSA-N	0	3	304.438	2.865	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)Cc1ccc2n[nH]cc2c1	ZINC000330008809	336105543	/nfs/dbraw/zinc/10/55/43/336105543.db2.gz	FSOKKQGYEJFDOK-OAHLLOKOSA-N	0	3	300.406	2.936	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)CC1(N2CCOCC2)CCCC1	ZINC000330061692	336110313	/nfs/dbraw/zinc/11/03/13/336110313.db2.gz	AEVLEQGGADXTKL-LSDHHAIUSA-N	0	3	305.422	2.670	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)Cn1cc2ccccc2n1	ZINC000330078460	336111643	/nfs/dbraw/zinc/11/16/43/336111643.db2.gz	NRVMSCRBGIJNMD-HNNXBMFYSA-N	0	3	300.406	2.867	20	30		DFEDHN
CN1CCC(CC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000330178823	336120958	/nfs/dbraw/zinc/12/09/58/336120958.db2.gz	LXUXJGUAHGORGD-OAHLLOKOSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCOC2(CCOCC2)C1)N1CCCCCC1	ZINC000330218823	336125614	/nfs/dbraw/zinc/12/56/14/336125614.db2.gz	JQWULDLTWXXUGK-HZPDHXFCSA-N	0	3	324.465	2.936	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000330225111	336126643	/nfs/dbraw/zinc/12/66/43/336126643.db2.gz	NZXWLYHORHZQNP-LBPRGKRZSA-N	0	3	301.390	2.965	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)N2CCN(C3CCCC3)CC2)o1	ZINC000330259048	336130787	/nfs/dbraw/zinc/13/07/87/336130787.db2.gz	NAKFGBQREBQJNS-UHFFFAOYSA-N	0	3	320.437	2.520	20	30		DFEDHN
CCCc1nc(C)c(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1	ZINC000330268363	336131641	/nfs/dbraw/zinc/13/16/41/336131641.db2.gz	RDEUNXRHUSDVGI-KGLIPLIRSA-N	0	3	320.437	2.518	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCN1C	ZINC000330270901	336131882	/nfs/dbraw/zinc/13/18/82/336131882.db2.gz	VABBPBSEARNAHI-BZUAXINKSA-N	0	3	323.481	2.855	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC(=O)N2CCN(CC3CCCCC3)CC2)C1	ZINC000332257440	336165253	/nfs/dbraw/zinc/16/52/53/336165253.db2.gz	FKPOQJREHKRPND-DLBZAZTESA-N	0	3	318.465	2.586	20	30		DFEDHN
C=C(C)CCN1CCN(Cc2cc(OC)cc(OC)c2)CC1	ZINC000352003888	336188007	/nfs/dbraw/zinc/18/80/07/336188007.db2.gz	NJPJCCXOOXRVIK-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000333201386	336199764	/nfs/dbraw/zinc/19/97/64/336199764.db2.gz	RHVMGRZAGZATND-UHFFFAOYSA-N	0	3	312.417	2.845	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CCNC3)C1	ZINC000333270128	336201008	/nfs/dbraw/zinc/20/10/08/336201008.db2.gz	FYLDVIDWZAUKAT-AAEUAGOBSA-N	0	3	316.380	2.675	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@@H]1O	ZINC000352657678	336229161	/nfs/dbraw/zinc/22/91/61/336229161.db2.gz	BTAKKNCCBSYZRC-CABCVRRESA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CNC(C)=O)CC2)cc1	ZINC000352671178	336229660	/nfs/dbraw/zinc/22/96/60/336229660.db2.gz	LRDZMNSFMKEMKE-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000352687048	336230403	/nfs/dbraw/zinc/23/04/03/336230403.db2.gz	TVUNILURSODDPG-LSDHHAIUSA-N	0	3	312.335	2.745	20	30		DFEDHN
C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000526136135	336231471	/nfs/dbraw/zinc/23/14/71/336231471.db2.gz	PKBVBYCPFPETMD-NVXWUHKLSA-N	0	3	311.429	2.502	20	30		DFEDHN
C[C@@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000526136137	336231643	/nfs/dbraw/zinc/23/16/43/336231643.db2.gz	PKBVBYCPFPETMD-WBVHZDCISA-N	0	3	311.429	2.502	20	30		DFEDHN
N#CC1(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)CCC1	ZINC000526287297	336243641	/nfs/dbraw/zinc/24/36/41/336243641.db2.gz	OMOMEKZKYQQIRD-MRXNPFEDSA-N	0	3	317.820	2.943	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NC(=O)NC1CCCCC1	ZINC000532586410	336256718	/nfs/dbraw/zinc/25/67/18/336256718.db2.gz	WIBGUGSUJGJPAT-UHFFFAOYSA-N	0	3	309.454	2.823	20	30		DFEDHN
C=CCN(CCc1ccco1)Cc1ccc2c(c1)NC(=O)CO2	ZINC000352832065	336269681	/nfs/dbraw/zinc/26/96/81/336269681.db2.gz	OBPHZCUPGWTZNZ-UHFFFAOYSA-N	0	3	312.369	2.841	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000418004075	336309429	/nfs/dbraw/zinc/30/94/29/336309429.db2.gz	BZPPCGXHNXXTGY-KSZLIROESA-N	0	3	322.412	2.831	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)NCC(C)(C)C#N)c1ccccc1	ZINC000353296645	336410669	/nfs/dbraw/zinc/41/06/69/336410669.db2.gz	PWNQLEJZJMCXSO-CQSZACIVSA-N	0	3	316.449	2.965	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](c2ccncc2)C(C)C)CC1	ZINC000353324944	336411950	/nfs/dbraw/zinc/41/19/50/336411950.db2.gz	HZKIITLCQSMDJC-SFHVURJKSA-N	0	3	315.461	2.978	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000359222589	336663372	/nfs/dbraw/zinc/66/33/72/336663372.db2.gz	IAUDWSCUEDGVGD-AWEZNQCLSA-N	0	3	311.470	2.530	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnccc1C)C(C)C	ZINC000359302184	336666724	/nfs/dbraw/zinc/66/67/24/336666724.db2.gz	WDHMQUIDXDGXBO-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000361220736	336744793	/nfs/dbraw/zinc/74/47/93/336744793.db2.gz	NNOKIWKZPWCNBY-QGZVFWFLSA-N	0	3	301.434	2.782	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000362372426	336794024	/nfs/dbraw/zinc/79/40/24/336794024.db2.gz	ZRZQRJHMTYZCDW-RHSMWYFYSA-N	0	3	319.449	2.952	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000362656372	336808260	/nfs/dbraw/zinc/80/82/60/336808260.db2.gz	RGXBDOSWOPPHGV-PBHICJAKSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000362668577	336808604	/nfs/dbraw/zinc/80/86/04/336808604.db2.gz	JWXJOXVBVIPHKM-ZDUSSCGKSA-N	0	3	307.463	2.834	20	30		DFEDHN
C=CCN(CC)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000368798026	336853000	/nfs/dbraw/zinc/85/30/00/336853000.db2.gz	ORTDHTYKWLKVJV-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1	ZINC000369325852	336862588	/nfs/dbraw/zinc/86/25/88/336862588.db2.gz	AQPFAGWDDGRJED-LZBKUMLDSA-N	0	3	323.440	2.815	20	30		DFEDHN
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1	ZINC000372186531	336924539	/nfs/dbraw/zinc/92/45/39/336924539.db2.gz	MNSCTMUKAQHLNN-INIZCTEOSA-N	0	3	313.445	2.528	20	30		DFEDHN
CCOc1ncccc1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21	ZINC000373232183	336954034	/nfs/dbraw/zinc/95/40/34/336954034.db2.gz	ZQOUMJHAYWHYJE-VQHPVUNQSA-N	0	3	315.417	2.810	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(Cc2ccc(OCC)cc2)CC1	ZINC000121511803	336961848	/nfs/dbraw/zinc/96/18/48/336961848.db2.gz	ZOBBOZNEXKJDTO-SFHVURJKSA-N	0	3	318.461	2.530	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21	ZINC000375143019	337004378	/nfs/dbraw/zinc/00/43/78/337004378.db2.gz	USOQDUWQGWMCLT-LSDHHAIUSA-N	0	3	302.418	2.945	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375350291	337008825	/nfs/dbraw/zinc/00/88/25/337008825.db2.gz	UUDIUFSSCWYCBI-OAHLLOKOSA-N	0	3	310.388	2.804	20	30		DFEDHN
C[C@@H]1CSc2ccccc2CN1CCC(=O)N(C)CCC#N	ZINC000375393595	337010183	/nfs/dbraw/zinc/01/01/83/337010183.db2.gz	RDMGSXVWNJHVMC-CQSZACIVSA-N	0	3	317.458	2.745	20	30		DFEDHN
Cc1nc(CO[C@@H]2CCN(CCCSCC#N)C2)cs1	ZINC000375395785	337010246	/nfs/dbraw/zinc/01/02/46/337010246.db2.gz	TWMIYDSYKXLUMM-CQSZACIVSA-N	0	3	311.476	2.689	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375417216	337010813	/nfs/dbraw/zinc/01/08/13/337010813.db2.gz	UPPROFMLTARVNK-INIZCTEOSA-N	0	3	323.396	2.949	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1cc(OC)ccc1OC)C1CC1	ZINC000122515441	337012310	/nfs/dbraw/zinc/01/23/10/337012310.db2.gz	BQTQDVYBEZWTSO-INIZCTEOSA-N	0	3	305.418	2.995	20	30		DFEDHN
C#CCOc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1	ZINC000305120792	337014430	/nfs/dbraw/zinc/01/44/30/337014430.db2.gz	BHTAGVXIKHVBHL-HXUWFJFHSA-N	0	3	307.393	2.622	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H]1NCCc2ccccc21	ZINC000375965868	337024468	/nfs/dbraw/zinc/02/44/68/337024468.db2.gz	UBIOGQLYHPZAHX-GOSISDBHSA-N	0	3	322.408	2.868	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000376107200	337027176	/nfs/dbraw/zinc/02/71/76/337027176.db2.gz	QIPXRVXMWQTMPA-SFHVURJKSA-N	0	3	314.433	2.696	20	30		DFEDHN
C#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1F	ZINC000376170108	337028890	/nfs/dbraw/zinc/02/88/90/337028890.db2.gz	DTPLLZQLFKFJHE-OAHLLOKOSA-N	0	3	320.795	2.898	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCC(C)(C)CCC#N	ZINC000377049210	337046055	/nfs/dbraw/zinc/04/60/55/337046055.db2.gz	WYVDWTCQGDUDLS-CVEARBPZSA-N	0	3	320.481	2.975	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1CCCC1(C#N)CCOCC1	ZINC000377115923	337047099	/nfs/dbraw/zinc/04/70/99/337047099.db2.gz	UMHAEEQBDOMNMH-DLBZAZTESA-N	0	3	305.466	2.646	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](c3ccnc(COC)n3)C2)cc1	ZINC000377614214	337056180	/nfs/dbraw/zinc/05/61/80/337056180.db2.gz	HPFXQZSGYLPGMK-GOSISDBHSA-N	0	3	321.424	2.984	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1	ZINC000377697187	337058918	/nfs/dbraw/zinc/05/89/18/337058918.db2.gz	KRYFUEMTYVUSMB-QGZVFWFLSA-N	0	3	322.412	2.729	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@H]2CCc3nc[nH]c3C2)cc1	ZINC000377756348	337060330	/nfs/dbraw/zinc/06/03/30/337060330.db2.gz	REAFTLZUCVUDTL-GOEBONIOSA-N	0	3	310.401	2.910	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2cccs2)C[C@H]1C	ZINC000377805098	337061690	/nfs/dbraw/zinc/06/16/90/337061690.db2.gz	PQDLNMUWVVWKBR-MCIONIFRSA-N	0	3	305.447	2.686	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1	ZINC000360076898	337085024	/nfs/dbraw/zinc/08/50/24/337085024.db2.gz	RRRIOUZLHHVISL-RDJZCZTQSA-N	0	3	324.428	2.776	20	30		DFEDHN
N#CCCCCNC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000171449201	337087417	/nfs/dbraw/zinc/08/74/17/337087417.db2.gz	VRATWMUSUBCJMN-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)CCc2ccccc2)CC1	ZINC000171695495	337088390	/nfs/dbraw/zinc/08/83/90/337088390.db2.gz	RUIXZOABOIWTDX-INIZCTEOSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)Cc2ccccc2)CC1	ZINC000171740727	337089064	/nfs/dbraw/zinc/08/90/64/337089064.db2.gz	BSEXIEJQMKHPAK-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@@H]2CCc3ccccc32)CC1	ZINC000171739515	337089115	/nfs/dbraw/zinc/08/91/15/337089115.db2.gz	TWTGKWNJPIVVIU-GOSISDBHSA-N	0	3	313.445	2.966	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1	ZINC000172068338	337089565	/nfs/dbraw/zinc/08/95/65/337089565.db2.gz	ZOWWPBOOKBHHMB-WOJBJXKFSA-N	0	3	307.393	2.837	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2NCc2ccccc2C(C)(C)C#N)cn1	ZINC000582662251	337117521	/nfs/dbraw/zinc/11/75/21/337117521.db2.gz	VLBLYBANIJWXNL-MSOLQXFVSA-N	0	3	324.428	2.841	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCCC[C@@H](SC)C2)CC1	ZINC000179215235	337168439	/nfs/dbraw/zinc/16/84/39/337168439.db2.gz	KMIYFENOHAKYAD-OAHLLOKOSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=CCOc1ccc(CN2CCCN(C3CC3)CC2)cc1OC	ZINC000179731053	337169291	/nfs/dbraw/zinc/16/92/91/337169291.db2.gz	MCKMMURECXPBPF-UHFFFAOYSA-N	0	3	316.445	2.930	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000181322722	337181219	/nfs/dbraw/zinc/18/12/19/337181219.db2.gz	NCHHZNLUZKTAEQ-CYBMUJFWSA-N	0	3	303.324	2.953	20	30		DFEDHN
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCCC#N	ZINC000186291796	337255627	/nfs/dbraw/zinc/25/56/27/337255627.db2.gz	CDAOLTAUVWQDSG-AWEZNQCLSA-N	0	3	321.446	2.523	20	30		DFEDHN
C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1ccncc1	ZINC000187661946	337267822	/nfs/dbraw/zinc/26/78/22/337267822.db2.gz	RNERZKZTCBPERJ-ZDUSSCGKSA-N	0	3	315.446	2.570	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000583208859	337272308	/nfs/dbraw/zinc/27/23/08/337272308.db2.gz	SBQFCIUEYNUTOM-GOSISDBHSA-N	0	3	303.450	2.964	20	30		DFEDHN
CC1(C)[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000189329277	337278677	/nfs/dbraw/zinc/27/86/77/337278677.db2.gz	SGTUBZXNCJERBP-SJORKVTESA-N	0	3	324.428	2.713	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1	ZINC000190183683	337285293	/nfs/dbraw/zinc/28/52/93/337285293.db2.gz	JNYXLFGYFBBUCI-LBPRGKRZSA-N	0	3	319.371	2.659	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)Cc1ccccc1C(F)(F)F	ZINC000191122344	337294121	/nfs/dbraw/zinc/29/41/21/337294121.db2.gz	QTBIBWRAMSAKQJ-AWEZNQCLSA-N	0	3	317.351	2.743	20	30		DFEDHN
C[C@@H](NCC#Cc1ccccc1)c1ccc(-n2cncn2)cc1	ZINC000192148171	337303334	/nfs/dbraw/zinc/30/33/34/337303334.db2.gz	KMIZFCSZCHTHGS-MRXNPFEDSA-N	0	3	302.381	2.970	20	30		DFEDHN
CC[C@@H](CC#N)N[C@@H](C)CCCOc1ccccc1C(N)=O	ZINC000124261900	337404391	/nfs/dbraw/zinc/40/43/91/337404391.db2.gz	WFOGXQJODIMXTI-KBPBESRZSA-N	0	3	303.406	2.615	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CO)[C@@H](O)CCC)cc1Cl	ZINC000419821651	337492530	/nfs/dbraw/zinc/49/25/30/337492530.db2.gz	NRKPNVDUPDQPOO-CABCVRRESA-N	0	3	313.825	2.516	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H](C)C1)C(C)C	ZINC000271824607	337645549	/nfs/dbraw/zinc/64/55/49/337645549.db2.gz	DNRUCNIQDFSVOO-YESZJQIVSA-N	0	3	308.466	2.616	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1	ZINC000424114295	337741438	/nfs/dbraw/zinc/74/14/38/337741438.db2.gz	QYYPUFKETPECPT-AWEZNQCLSA-N	0	3	307.825	2.755	20	30		DFEDHN
CCCN(CCc1cccc(F)c1)C(=O)[C@H](N)CCCC#N	ZINC000424118309	337741723	/nfs/dbraw/zinc/74/17/23/337741723.db2.gz	DDRJTCPHNADMBQ-MRXNPFEDSA-N	0	3	305.397	2.628	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Cl)c1	ZINC000424157372	337784409	/nfs/dbraw/zinc/78/44/09/337784409.db2.gz	SGQFAGURVTVZKU-UKRRQHHQSA-N	0	3	323.824	2.635	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)cc2c1O[C@H](C)C2	ZINC000424165241	337789392	/nfs/dbraw/zinc/78/93/92/337789392.db2.gz	AJJJDCAMGXFZPD-IGCXYCKISA-N	0	3	303.402	2.699	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1cccs1	ZINC000116908837	337844644	/nfs/dbraw/zinc/84/46/44/337844644.db2.gz	GSFYSWRHUMDZFM-ZBFHGGJFSA-N	0	3	312.438	2.759	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)n(C)n1)C(C)C	ZINC000122659404	337923684	/nfs/dbraw/zinc/92/36/84/337923684.db2.gz	DOXCVZIZOPUZLL-HNNXBMFYSA-N	0	3	319.453	2.549	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CCOCC1	ZINC000424621707	337925516	/nfs/dbraw/zinc/92/55/16/337925516.db2.gz	WRAHHSNEAVSEJF-INIZCTEOSA-N	0	3	308.466	2.596	20	30		DFEDHN
C[C@@H](NC1(C2CC2)CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000541595131	337941019	/nfs/dbraw/zinc/94/10/19/337941019.db2.gz	KCHPLMVGNUEFAG-XOYHFGRZSA-N	0	3	303.450	2.838	20	30		DFEDHN
CC(C)c1ccccc1OC[C@H](O)CNCC1(CC#N)CC1	ZINC000516456314	338012818	/nfs/dbraw/zinc/01/28/18/338012818.db2.gz	FYVOUMKIPJATTJ-OAHLLOKOSA-N	0	3	302.418	2.833	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncccc1C)C(C)C	ZINC000426263423	338024043	/nfs/dbraw/zinc/02/40/43/338024043.db2.gz	MDQPREPPZLXJGN-MRXNPFEDSA-N	0	3	301.434	2.818	20	30		DFEDHN
COC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000428642965	338057534	/nfs/dbraw/zinc/05/75/34/338057534.db2.gz	PGSXBGILYLXCKX-INIZCTEOSA-N	0	3	300.402	2.786	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428786185	338061003	/nfs/dbraw/zinc/06/10/03/338061003.db2.gz	VYMQVVPOQZJXFV-SFHVURJKSA-N	0	3	318.380	2.673	20	30		DFEDHN
CN(C)CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1	ZINC000428977096	338067440	/nfs/dbraw/zinc/06/74/40/338067440.db2.gz	MDYDLGZLQIKMOX-UHFFFAOYSA-N	0	3	323.396	2.836	20	30		DFEDHN
COC(=O)C[C@](C)(NCCCC(C)(C)C#N)c1ccccn1	ZINC000429668382	338086918	/nfs/dbraw/zinc/08/69/18/338086918.db2.gz	BHNSNPXMFVHWNY-KRWDZBQOSA-N	0	3	303.406	2.779	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1C	ZINC000429707908	338087741	/nfs/dbraw/zinc/08/77/41/338087741.db2.gz	KEGLRRNGHZCIOM-MRXNPFEDSA-N	0	3	303.450	2.762	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)c1nc2ccccc2c(=O)[nH]1	ZINC000429711079	338087982	/nfs/dbraw/zinc/08/79/82/338087982.db2.gz	OGZJHVPUNOFOJD-CQSZACIVSA-N	0	3	314.433	2.836	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1noc(-c2ccccc2C)n1	ZINC000429714639	338088018	/nfs/dbraw/zinc/08/80/18/338088018.db2.gz	LNICVONJBDUYPP-UHFFFAOYSA-N	0	3	314.433	2.985	20	30		DFEDHN
COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1NC(C)=O	ZINC000430764886	338114344	/nfs/dbraw/zinc/11/43/44/338114344.db2.gz	ULPVLEXAHSJELY-GFCCVEGCSA-N	0	3	301.390	2.998	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)NCC1(SC)CCN(C)CC1	ZINC000432347941	338153758	/nfs/dbraw/zinc/15/37/58/338153758.db2.gz	PBVCSXOWLCKDSM-UHFFFAOYSA-N	0	3	313.511	2.715	20	30		DFEDHN
CN(CCC(=O)N(C)CCC#N)Cc1ccc(F)c(Cl)c1	ZINC000433263536	338188620	/nfs/dbraw/zinc/18/86/20/338188620.db2.gz	VNDCCXPMICZLRS-UHFFFAOYSA-N	0	3	311.788	2.673	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(C[C@H]1CCOC1)C1CC1	ZINC000433304070	338190680	/nfs/dbraw/zinc/19/06/80/338190680.db2.gz	MHELGRNTAJWEGL-SJORKVTESA-N	0	3	312.413	2.786	20	30		DFEDHN
CCn1cc(NC(=O)C(C#N)CCc2ccccc2)ccc1=O	ZINC000433310889	338191407	/nfs/dbraw/zinc/19/14/07/338191407.db2.gz	DWRAVJDKJQEMBL-HNNXBMFYSA-N	0	3	309.369	2.579	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(n2ccnc2)CC1	ZINC000433340375	338193309	/nfs/dbraw/zinc/19/33/09/338193309.db2.gz	DSUKLWTYTXQLJR-QGZVFWFLSA-N	0	3	322.412	2.819	20	30		DFEDHN
CN(CCc1ccccn1)C(=O)C(C#N)CCc1ccccc1	ZINC000433341969	338193381	/nfs/dbraw/zinc/19/33/81/338193381.db2.gz	JQQXYTBANWVFSE-QGZVFWFLSA-N	0	3	307.397	2.855	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000433362770	338193908	/nfs/dbraw/zinc/19/39/08/338193908.db2.gz	FTRSDZDZSPRIEA-YTQUADARSA-N	0	3	320.392	2.533	20	30		DFEDHN
CC(C)(C)[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433365319	338193946	/nfs/dbraw/zinc/19/39/46/338193946.db2.gz	PEYGSOOVSMXYIR-HOTGVXAUSA-N	0	3	302.418	2.672	20	30		DFEDHN
CC(=O)N(C[C@H]1CCCN1Cc1ccc(CC#N)cc1)C1CC1	ZINC000434751350	338224887	/nfs/dbraw/zinc/22/48/87/338224887.db2.gz	DZLFGAMWNDHOHA-LJQANCHMSA-N	0	3	311.429	2.728	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000435053839	338231128	/nfs/dbraw/zinc/23/11/28/338231128.db2.gz	WRSKBVNXAJWQCH-CALCHBBNSA-N	0	3	318.461	2.792	20	30		DFEDHN
CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CCCO	ZINC000437578411	338314412	/nfs/dbraw/zinc/31/44/12/338314412.db2.gz	OJGYXTITCJDUHI-UHFFFAOYSA-N	0	3	301.308	2.641	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1	ZINC000438325755	338339686	/nfs/dbraw/zinc/33/96/86/338339686.db2.gz	HHRJGWFFBBWBDA-INIZCTEOSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCCO[C@@H](CC)C1	ZINC000439474059	338370672	/nfs/dbraw/zinc/37/06/72/338370672.db2.gz	MVRYSEWSWIKCEG-MSOLQXFVSA-N	0	3	319.445	2.656	20	30		DFEDHN
CC(C)(C)OC(=O)CN[C@@]1(C)CCN(CCCC(C)(C)C#N)C1	ZINC000440523389	338389132	/nfs/dbraw/zinc/38/91/32/338389132.db2.gz	YVMOGOLLMAEYGM-SFHVURJKSA-N	0	3	323.481	2.712	20	30		DFEDHN
N#C[C@]1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC12CCCC2	ZINC000448938576	338580456	/nfs/dbraw/zinc/58/04/56/338580456.db2.gz	UVUKTGOIHGVSEI-YJBOKZPZSA-N	0	3	301.434	2.547	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)ccc1Cl	ZINC000449549181	338636700	/nfs/dbraw/zinc/63/67/00/338636700.db2.gz	VLNZWLHWHWUDTH-CABCVRRESA-N	0	3	309.793	2.950	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccc(F)cc2)c1	ZINC000449549553	338636809	/nfs/dbraw/zinc/63/68/09/338636809.db2.gz	YZIBCJYLWSWFPR-SJORKVTESA-N	0	3	301.365	2.835	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000449889734	338657403	/nfs/dbraw/zinc/65/74/03/338657403.db2.gz	DTRBMCOXXNWFMQ-ZBEGNZNMSA-N	0	3	321.808	2.769	20	30		DFEDHN
C[C@@H]1CN(CC2CCN(CC3(C#N)CCC3)CC2)C[C@@H](C)O1	ZINC000450342356	338678955	/nfs/dbraw/zinc/67/89/55/338678955.db2.gz	RYHKGXXMJQYMPS-HZPDHXFCSA-N	0	3	305.466	2.501	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cccc(C(=O)N2CCCCC2)c1	ZINC000451607098	338740277	/nfs/dbraw/zinc/74/02/77/338740277.db2.gz	OSKUZRJZYOYHIF-MSOLQXFVSA-N	0	3	314.429	2.746	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1F	ZINC000451608201	338740343	/nfs/dbraw/zinc/74/03/43/338740343.db2.gz	RKLOOMQEHJLSRM-BHYNMZESSA-N	0	3	312.772	2.739	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)N(C)C)cc1	ZINC000452169666	338756245	/nfs/dbraw/zinc/75/62/45/338756245.db2.gz	OUQWCXQFCLMPFP-PVUWLOKVSA-N	0	3	317.458	2.677	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1CF)C(C)C	ZINC000457755628	338977490	/nfs/dbraw/zinc/97/74/90/338977490.db2.gz	RYRDEHQVIQAEIC-JKSUJKDBSA-N	0	3	311.445	2.829	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)CC#N	ZINC000458623854	339001940	/nfs/dbraw/zinc/00/19/40/339001940.db2.gz	QVWLZYXNSVNFKM-HNNXBMFYSA-N	0	3	316.449	2.746	20	30		DFEDHN
CC#CCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000458648072	339002596	/nfs/dbraw/zinc/00/25/96/339002596.db2.gz	GRRZWTGGFIVNMV-QGZVFWFLSA-N	0	3	313.445	2.563	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000458660537	339002833	/nfs/dbraw/zinc/00/28/33/339002833.db2.gz	VUOCTAXJVNRIPM-GJZGRUSLSA-N	0	3	320.462	2.514	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)NCC(C)(C)CC#N)c1	ZINC000459227887	339016911	/nfs/dbraw/zinc/01/69/11/339016911.db2.gz	GQXAYAGNJMRJSM-UHFFFAOYSA-N	0	3	318.421	2.688	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)NCC(C)(C)CC#N	ZINC000459241827	339017410	/nfs/dbraw/zinc/01/74/10/339017410.db2.gz	ROFDTQBOIWIWJJ-UHFFFAOYSA-N	0	3	322.478	2.761	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000459261198	339018222	/nfs/dbraw/zinc/01/82/22/339018222.db2.gz	RBCCIUAUGDVIKV-UHFFFAOYSA-N	0	3	320.481	2.834	20	30		DFEDHN
COCCOc1ccc(CNCC(C)(C)CC#N)cc1OC	ZINC000459698605	339043397	/nfs/dbraw/zinc/04/33/97/339043397.db2.gz	QLQDXJRHJWSLQN-UHFFFAOYSA-N	0	3	306.406	2.750	20	30		DFEDHN
CCOC(=O)COc1ccc(CNCC(C)(C)CC#N)cc1	ZINC000459735612	339045076	/nfs/dbraw/zinc/04/50/76/339045076.db2.gz	TYPQNDGSFQPRMG-UHFFFAOYSA-N	0	3	304.390	2.658	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000461952876	339069586	/nfs/dbraw/zinc/06/95/86/339069586.db2.gz	DDAORNXWVXLIKE-DLBZAZTESA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)[C@H](C)C1)C(C)C	ZINC000465546162	339179262	/nfs/dbraw/zinc/17/92/62/339179262.db2.gz	QRMHSISKHBQRGJ-IXDOHACOSA-N	0	3	307.482	2.982	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(C)CCC(OC)CC2)CC1	ZINC000471805136	339354731	/nfs/dbraw/zinc/35/47/31/339354731.db2.gz	PPBICOFPHWEOFQ-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000488862559	339795367	/nfs/dbraw/zinc/79/53/67/339795367.db2.gz	RSQYVVVOXYHPMR-SFHVURJKSA-N	0	3	308.466	2.571	20	30		DFEDHN
C#CCNC(=O)CCNCc1ccc(-c2ccc(OC)cc2)cc1	ZINC000491496180	339864371	/nfs/dbraw/zinc/86/43/71/339864371.db2.gz	OKTZSUONTHAMPV-UHFFFAOYSA-N	0	3	322.408	2.591	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000491637009	339870030	/nfs/dbraw/zinc/87/00/30/339870030.db2.gz	WKBCMGZRRGXPJZ-PBHICJAKSA-N	0	3	301.434	2.515	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000491704535	339874922	/nfs/dbraw/zinc/87/49/22/339874922.db2.gz	HSUOOBLPJGJHQM-KBPBESRZSA-N	0	3	305.447	2.596	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000491840279	339884880	/nfs/dbraw/zinc/88/48/80/339884880.db2.gz	ATISMSNGMDRUMD-DJFZKKHWSA-N	0	3	312.200	2.792	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2scnc2C)CC1	ZINC000492715023	339907352	/nfs/dbraw/zinc/90/73/52/339907352.db2.gz	KDJGKMMNHHHYJG-PLNGDYQASA-N	0	3	305.447	2.621	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)C(C)C	ZINC000494672238	339957434	/nfs/dbraw/zinc/95/74/34/339957434.db2.gz	LIFOYVUPKIYQKB-YVSFHVDLSA-N	0	3	305.466	2.783	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC[C@@H](C#N)CCC#N	ZINC000496809853	340013483	/nfs/dbraw/zinc/01/34/83/340013483.db2.gz	JMTPILHAMRQGIQ-HUUCEWRRSA-N	0	3	320.437	2.809	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)[C@H](C)CC(=O)Nc1ccccc1	ZINC000504192265	340142688	/nfs/dbraw/zinc/14/26/88/340142688.db2.gz	VGHODWZLLVASLL-UONOGXRCSA-N	0	3	301.390	2.802	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CSC[C@@H]1C	ZINC000507267266	340216144	/nfs/dbraw/zinc/21/61/44/340216144.db2.gz	WXVLQKOGFVFWPG-KCQAQPDRSA-N	0	3	324.515	2.992	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2CSC)CC1	ZINC000186067224	340507889	/nfs/dbraw/zinc/50/78/89/340507889.db2.gz	FKQNTLQCWXBFHE-UHFFFAOYSA-N	0	3	302.443	2.833	20	30		DFEDHN
COC[C@]1(NCc2ccc(CC#N)cc2)COc2ccccc2C1	ZINC000528748995	340732338	/nfs/dbraw/zinc/73/23/38/340732338.db2.gz	RIEGARISHLPHDL-FQEVSTJZSA-N	0	3	322.408	2.863	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](COc1c(C)cccc1C)C(C)(C)C	ZINC000538324087	340818311	/nfs/dbraw/zinc/81/83/11/340818311.db2.gz	ZOEODEHFQYNDIZ-INIZCTEOSA-N	0	3	318.461	2.989	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC(CC#N)CC1)N1CCCCC1	ZINC000540991375	340954742	/nfs/dbraw/zinc/95/47/42/340954742.db2.gz	CZVXHQOODPLPOK-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
COC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000541595922	340976808	/nfs/dbraw/zinc/97/68/08/340976808.db2.gz	WLZRSCGEZWOOPO-RDJZCZTQSA-N	0	3	317.433	2.582	20	30		DFEDHN
N#CCC1CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000542877743	341024706	/nfs/dbraw/zinc/02/47/06/341024706.db2.gz	ARRBOCLZXWGOHY-UHFFFAOYSA-N	0	3	307.344	2.919	20	30		DFEDHN
N#CCc1cccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1	ZINC000545844485	341143136	/nfs/dbraw/zinc/14/31/36/341143136.db2.gz	AEMTVOICPQXUCN-GJZGRUSLSA-N	0	3	321.384	2.658	20	30		DFEDHN
CCOc1ccc(N(CCC#N)C(=O)C2CCN(C)CC2)cc1	ZINC000074349981	341144471	/nfs/dbraw/zinc/14/44/71/341144471.db2.gz	SOZJUFLFZOAFJM-UHFFFAOYSA-N	0	3	315.417	2.674	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(C[C@H]1CCCO1)C1CCCC1	ZINC000075831281	341184993	/nfs/dbraw/zinc/18/49/93/341184993.db2.gz	NYTUANVDHNEUPK-QGZVFWFLSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](OC)C1)C(C)C	ZINC000076554057	341209493	/nfs/dbraw/zinc/20/94/93/341209493.db2.gz	VKIQUXTVVLJITD-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000079221393	341255557	/nfs/dbraw/zinc/25/55/57/341255557.db2.gz	HNOSEKVOROPATL-KRWDZBQOSA-N	0	3	301.434	2.543	20	30		DFEDHN
C[C@@H](O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000136823290	341267733	/nfs/dbraw/zinc/26/77/33/341267733.db2.gz	FWXMYWYTUAFHSZ-NVXWUHKLSA-N	0	3	302.418	2.962	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1	ZINC000548926181	341281192	/nfs/dbraw/zinc/28/11/92/341281192.db2.gz	NQSFHUAAYVRTHN-LJQANCHMSA-N	0	3	324.424	2.899	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CCN(CC(C)C)CC1	ZINC000549270753	341290191	/nfs/dbraw/zinc/29/01/91/341290191.db2.gz	MHYGJAOUBNLZHY-UHFFFAOYSA-N	0	3	319.497	2.975	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000549669645	341300317	/nfs/dbraw/zinc/30/03/17/341300317.db2.gz	IXBDLKRMWHGURK-MRXNPFEDSA-N	0	3	317.481	2.727	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000549807370	341303669	/nfs/dbraw/zinc/30/36/69/341303669.db2.gz	BIRVWLWUXDDXDO-KSZLIROESA-N	0	3	312.413	2.833	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](OC)C1)C(C)C	ZINC000248944288	341390443	/nfs/dbraw/zinc/39/04/43/341390443.db2.gz	BZHVNWMATNPNRB-GVDBMIGSSA-N	0	3	323.481	2.552	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1	ZINC000572564928	341516381	/nfs/dbraw/zinc/51/63/81/341516381.db2.gz	NKHGAXPCORHKFU-UTUOFQBUSA-N	0	3	321.783	2.866	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21	ZINC000569100819	341690745	/nfs/dbraw/zinc/69/07/45/341690745.db2.gz	RLUVHJDKMRTTFQ-GOSISDBHSA-N	0	3	322.408	2.755	20	30		DFEDHN
Cc1ccc2nccc(N(C)CCCc3[nH]nc(N)c3C#N)c2c1	ZINC000302137037	534521036	/nfs/dbraw/zinc/52/10/36/534521036.db2.gz	BRKLDSRLVFYWOY-UHFFFAOYSA-N	0	3	320.400	2.789	20	30		DFEDHN
CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21	ZINC000365005075	523102349	/nfs/dbraw/zinc/10/23/49/523102349.db2.gz	WCPWCVXZFLNEOS-MSOLQXFVSA-N	0	3	307.397	2.996	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN[C@@H](CCO)c1ccccc1	ZINC000299700175	534818223	/nfs/dbraw/zinc/81/82/23/534818223.db2.gz	OVZPTGJNRBPQCF-KRWDZBQOSA-N	0	3	323.396	2.600	20	30		DFEDHN
CC(C)(O)C(C)(C)NCc1ccc(Br)cc1C#N	ZINC000311198316	527313881	/nfs/dbraw/zinc/31/38/81/527313881.db2.gz	JEJACFWQVKKJMG-UHFFFAOYSA-N	0	3	311.223	2.960	20	30		DFEDHN
CCN1CCC[C@H]1CNc1ncc(Br)cc1C#N	ZINC000296657959	529105646	/nfs/dbraw/zinc/10/56/46/529105646.db2.gz	YAXYCEONAOOGAM-LBPRGKRZSA-N	0	3	309.211	2.612	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc(-c3cc(C#N)cn3C)n2)cc1	ZINC000355592872	535992391	/nfs/dbraw/zinc/99/23/91/535992391.db2.gz	CFZLSDVXNUGZBJ-UHFFFAOYSA-N	0	3	307.357	2.675	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(F)c(F)c1	ZINC000681317965	545627979	/nfs/dbraw/zinc/62/79/79/545627979.db2.gz	WBJMBFFUBQNTSE-CJNGLKHVSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)C23CC(c4ccccc4)(C2)C3)CC1	ZINC000682894336	545937734	/nfs/dbraw/zinc/93/77/34/545937734.db2.gz	IOUAFRNLIRJBFT-UHFFFAOYSA-N	0	3	310.441	2.875	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N2CCOC[C@H]2C2CC2)CCCC1(C)C	ZINC000683528301	546053942	/nfs/dbraw/zinc/05/39/42/546053942.db2.gz	VERKQBVQIIKACP-DLBZAZTESA-N	0	3	320.477	2.691	20	30		DFEDHN
C=CCN1CC[C@H](N2Cc3ccccc3N(C)C[C@H]2CC)C1=O	ZINC000685002136	546317892	/nfs/dbraw/zinc/31/78/92/546317892.db2.gz	WQHHTKIFSASXQW-AEFFLSMTSA-N	0	3	313.445	2.504	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000685596747	546373448	/nfs/dbraw/zinc/37/34/48/546373448.db2.gz	SEHPGJCZYJWRRR-OWCLPIDISA-N	0	3	312.816	2.751	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000823893925	608280918	/nfs/dbraw/zinc/28/09/18/608280918.db2.gz	BNVYUINWXVTJTE-AWEZNQCLSA-N	0	3	301.394	2.580	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000823893925	608280920	/nfs/dbraw/zinc/28/09/20/608280920.db2.gz	BNVYUINWXVTJTE-AWEZNQCLSA-N	0	3	301.394	2.580	20	30		DFEDHN
C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823887891	608286047	/nfs/dbraw/zinc/28/60/47/608286047.db2.gz	AMSCGGSZWGLJGU-NEPJUHHUSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823887891	608286049	/nfs/dbraw/zinc/28/60/49/608286049.db2.gz	AMSCGGSZWGLJGU-NEPJUHHUSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CC=C(c2ccc(F)cc2)CC1	ZINC000272875544	210267316	/nfs/dbraw/zinc/26/73/16/210267316.db2.gz	PNJLEKAWSUYVEV-KRWDZBQOSA-N	0	3	323.433	2.952	20	30		DFEDHN
Cc1c(Cl)cnc(NCCCN2CCCO[C@H](C)C2)c1C#N	ZINC000278294286	214071200	/nfs/dbraw/zinc/07/12/00/214071200.db2.gz	XKVDHSATNWDUMM-GFCCVEGCSA-N	0	3	322.840	2.828	20	30		DFEDHN
CN(C)C[C@H]1CN(C(=O)c2cccc(C#N)c2)c2ccccc2O1	ZINC000370502910	282139542	/nfs/dbraw/zinc/13/95/42/282139542.db2.gz	LVSRVPKAUBNVSU-INIZCTEOSA-N	0	3	321.380	2.528	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1	ZINC000181286441	199275918	/nfs/dbraw/zinc/27/59/18/199275918.db2.gz	RRSGKPMGHNIDPR-GJZGRUSLSA-N	0	3	307.397	2.537	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCC(C(F)F)CC2)c1	ZINC000307883482	231095764	/nfs/dbraw/zinc/09/57/64/231095764.db2.gz	WVLJZUKNFRRTTC-UHFFFAOYSA-N	0	3	307.344	2.864	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455935953	398347470	/nfs/dbraw/zinc/34/74/70/398347470.db2.gz	BUXLQPLABIEWCV-AWEZNQCLSA-N	0	3	300.406	2.749	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(C)(F)F)nc2)CC1	ZINC000448922005	398345828	/nfs/dbraw/zinc/34/58/28/398345828.db2.gz	PHRQGHAWSHUNSD-UHFFFAOYSA-N	0	3	323.387	2.964	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N[C@H]3C[C@@H](C)N(C4CC4)C3)c2c1	ZINC000591925667	398356024	/nfs/dbraw/zinc/35/60/24/398356024.db2.gz	KGISXRTZRVSJPB-OCCSQVGLSA-N	0	3	322.412	2.574	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCN2CCCCCC2)c1	ZINC000081535480	398356936	/nfs/dbraw/zinc/35/69/36/398356936.db2.gz	LFSKSRZSRZSFPS-ZWKOTPCHSA-N	0	3	311.429	2.654	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@H](C(C)C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596208100	398357854	/nfs/dbraw/zinc/35/78/54/398357854.db2.gz	VRCWERSFPUUEDQ-HNNXBMFYSA-N	0	3	302.378	2.551	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H]1CCCN1c1cccnn1	ZINC000591909723	398351837	/nfs/dbraw/zinc/35/18/37/398351837.db2.gz	DDSQYLCBUMQYAB-QGZVFWFLSA-N	0	3	324.428	2.800	20	30		DFEDHN
CSc1ccc([C@@H](CNc2c(C#N)cnn2C)N(C)C)cc1	ZINC000596245790	398366494	/nfs/dbraw/zinc/36/64/94/398366494.db2.gz	ABKOLDNRUHMGCH-OAHLLOKOSA-N	0	3	315.446	2.728	20	30		DFEDHN
CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC12CCCCC2	ZINC000596249909	398367633	/nfs/dbraw/zinc/36/76/33/398367633.db2.gz	CIXLSXUBGATEJV-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CN1C[C@@H](CNc2ncc(C#N)cc2F)[C@H](c2ccccc2)C1	ZINC000591989671	398369303	/nfs/dbraw/zinc/36/93/03/398369303.db2.gz	XKJRCHTVKYZFSP-CVEARBPZSA-N	0	3	310.376	2.850	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1	ZINC000131486675	334934796	/nfs/dbraw/zinc/93/47/96/334934796.db2.gz	WOPCGWAVPQHTTK-HUUCEWRRSA-N	0	3	302.418	2.510	20	30		DFEDHN
Cn1ncc(C#N)c1N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000596261604	398370878	/nfs/dbraw/zinc/37/08/78/398370878.db2.gz	RUGUWAQQULIIIX-UHFFFAOYSA-N	0	3	303.454	2.629	20	30		DFEDHN
N#CC(C(=O)c1cnc2n1CCCC2)c1cnc2ccccc2n1	ZINC000578432056	398373041	/nfs/dbraw/zinc/37/30/41/398373041.db2.gz	YUIZFLVLOJYUDI-LBPRGKRZSA-N	0	3	317.352	2.653	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596280709	398375309	/nfs/dbraw/zinc/37/53/09/398375309.db2.gz	KBDLUJLSICLQKK-QXSJWSMHSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000578809855	398375752	/nfs/dbraw/zinc/37/57/52/398375752.db2.gz	JYZCKKXIOPRIFL-KBPBESRZSA-N	0	3	303.324	2.656	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C1	ZINC000579486948	398380436	/nfs/dbraw/zinc/38/04/36/398380436.db2.gz	ALTARJVCJMDVSK-NJAFHUGGSA-N	0	3	307.397	2.871	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N[C@@H]1CCCN2CCCC[C@H]12	ZINC000596298431	398380000	/nfs/dbraw/zinc/38/00/00/398380000.db2.gz	XBKDOLVUYXEUSD-HZPDHXFCSA-N	0	3	307.401	2.930	20	30		DFEDHN
N#CCC[C@H](C#N)CNCC1(c2ccc(F)cc2)CCOCC1	ZINC000066484002	398381007	/nfs/dbraw/zinc/38/10/07/398381007.db2.gz	JKPCTZJQFLOQRC-OAHLLOKOSA-N	0	3	315.392	2.907	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000579509849	398381425	/nfs/dbraw/zinc/38/14/25/398381425.db2.gz	GUKZAPCHNMXVHK-AHCXZYCDSA-N	0	3	311.429	2.625	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)NCC1(C#N)CC1)c1ccccc1	ZINC000580929199	398386472	/nfs/dbraw/zinc/38/64/72/398386472.db2.gz	CPGAEPUWXGVZJK-AWEZNQCLSA-N	0	3	314.433	2.719	20	30		DFEDHN
CC(C)Cn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1	ZINC000581072178	398387663	/nfs/dbraw/zinc/38/76/63/398387663.db2.gz	UOGLSIXOTWTQHF-GFCCVEGCSA-N	0	3	307.357	2.905	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000581255838	398389271	/nfs/dbraw/zinc/38/92/71/398389271.db2.gz	PHFUHEFFNFVYJW-MRRJBJDNSA-N	0	3	319.836	2.651	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CC[C@H](c3cccnc3)C2)c1	ZINC000592140192	398390579	/nfs/dbraw/zinc/39/05/79/398390579.db2.gz	QCKLFYLBQHJBAX-KRWDZBQOSA-N	0	3	320.396	2.771	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000581412773	398390594	/nfs/dbraw/zinc/39/05/94/398390594.db2.gz	FGCOTVORZCLYKS-CYBMUJFWSA-N	0	3	320.824	2.869	20	30		DFEDHN
N#CC[C@@]1(O)CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000592152397	398392419	/nfs/dbraw/zinc/39/24/19/398392419.db2.gz	XAIDYAYAZHDTNH-LJQANCHMSA-N	0	3	310.397	2.959	20	30		DFEDHN
N#CC[C@]1(O)CCN(CCn2ccc3cc(Cl)ccc32)C1	ZINC000592152802	398392514	/nfs/dbraw/zinc/39/25/14/398392514.db2.gz	DSPHKVYXDJULAJ-INIZCTEOSA-N	0	3	303.793	2.645	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1	ZINC000084188354	398395610	/nfs/dbraw/zinc/39/56/10/398395610.db2.gz	DGVDEEWFAAOJEU-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000015297072	398394626	/nfs/dbraw/zinc/39/46/26/398394626.db2.gz	TZAXUAKHOBOJRJ-KRWDZBQOSA-N	0	3	324.380	2.709	20	30		DFEDHN
CC(C)CN(C(=O)c1cc(C#N)cs1)C1CCN(C)CC1	ZINC000084182559	398394927	/nfs/dbraw/zinc/39/49/27/398394927.db2.gz	JGFVPMYLQQRITC-UHFFFAOYSA-N	0	3	305.447	2.812	20	30		DFEDHN
N#CC1(NC(=O)CN2CCCC[C@H]2C2CCC2)CCCCC1	ZINC000592198746	398400157	/nfs/dbraw/zinc/40/01/57/398400157.db2.gz	RKOKLVVJDIEJSC-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
CN1CCN(CCNc2cccc(Cl)c2C#N)CC1(C)C	ZINC000296739227	529772398	/nfs/dbraw/zinc/77/23/98/529772398.db2.gz	JRNJDJBQLKQVIZ-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000066942551	398407982	/nfs/dbraw/zinc/40/79/82/398407982.db2.gz	TXMYEJASBNBUMU-HNNXBMFYSA-N	0	3	322.424	2.697	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1	ZINC000066942170	398407988	/nfs/dbraw/zinc/40/79/88/398407988.db2.gz	WDYUBLHWAWSIPB-MRXNPFEDSA-N	0	3	304.434	2.558	20	30		DFEDHN
Cc1noc(C)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000181575566	199321704	/nfs/dbraw/zinc/32/17/04/199321704.db2.gz	KQOFNRYWEKWTQX-UHFFFAOYSA-N	0	3	324.428	2.917	20	30		DFEDHN
COc1cccc(C(=O)NCCN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000181614583	199328241	/nfs/dbraw/zinc/32/82/41/199328241.db2.gz	MWPGXCHBEVZFJY-AWEZNQCLSA-N	0	3	323.396	2.647	20	30		DFEDHN
Cc1ccc(C#N)c(NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000596436662	398412003	/nfs/dbraw/zinc/41/20/03/398412003.db2.gz	NFMIXLYNNBOLCE-UHFFFAOYSA-N	0	3	321.428	2.981	20	30		DFEDHN
N#CCc1ccc(CNCc2ccc(C(=O)NC3CC3)cc2)cc1	ZINC000592371184	398417148	/nfs/dbraw/zinc/41/71/48/398417148.db2.gz	ZPJGSFAVTXPRDU-UHFFFAOYSA-N	0	3	319.408	2.935	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)o2)CC1	ZINC000592341417	398413491	/nfs/dbraw/zinc/41/34/91/398413491.db2.gz	REZWRRZJCRBSNK-UHFFFAOYSA-N	0	3	311.813	2.773	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1cccc(C#N)c1	ZINC000085410702	398414084	/nfs/dbraw/zinc/41/40/84/398414084.db2.gz	RFVNOVLQFPVLLV-ZQIUZPCESA-N	0	3	314.433	2.601	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCN(C)C1	ZINC000596450928	398415714	/nfs/dbraw/zinc/41/57/14/398415714.db2.gz	RWXUGPKOKMZHRO-CQSZACIVSA-N	0	3	317.437	2.673	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(C#N)cc1F	ZINC000592396654	398421003	/nfs/dbraw/zinc/42/10/03/398421003.db2.gz	ILBPQLRTAXIVJL-SJKOYZFVSA-N	0	3	306.381	2.526	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000067266915	398425427	/nfs/dbraw/zinc/42/54/27/398425427.db2.gz	WAOCZLFSASUOCR-WBVHZDCISA-N	0	3	304.434	2.695	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1	ZINC000180031107	334942849	/nfs/dbraw/zinc/94/28/49/334942849.db2.gz	QTMUCUVLKUYBPU-OAHLLOKOSA-N	0	3	301.434	2.630	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CCC)c2ccccn2)CC1	ZINC000592521513	398440027	/nfs/dbraw/zinc/44/00/27/398440027.db2.gz	WFTDKNRFHCTDPA-KRWDZBQOSA-N	0	3	316.449	2.872	20	30		DFEDHN
C[C@@H](CC#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1	ZINC000596582216	398453806	/nfs/dbraw/zinc/45/38/06/398453806.db2.gz	DEBZMNAVCCAZPN-LBPRGKRZSA-N	0	3	300.362	2.694	20	30		DFEDHN
C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)[C@H](c1ccccc1)N(C)C	ZINC000596597675	398457523	/nfs/dbraw/zinc/45/75/23/398457523.db2.gz	XCMQEHDQOWHTMC-LESCRADOSA-N	0	3	314.433	2.623	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)ccc1Cl	ZINC000586782883	398458467	/nfs/dbraw/zinc/45/84/67/398458467.db2.gz	MCDSUPSHTXPFIZ-ZDUSSCGKSA-N	0	3	305.809	2.816	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2nccn2C)CC1	ZINC000089925221	398469365	/nfs/dbraw/zinc/46/93/65/398469365.db2.gz	IERKUNZHFYGQPS-KSSFIOAISA-N	0	3	324.428	2.798	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1	ZINC000068008177	398472742	/nfs/dbraw/zinc/47/27/42/398472742.db2.gz	DZHLZTZUUMXEKA-UHFFFAOYSA-N	0	3	321.764	2.532	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](Nc2nc3cc(Cl)ccn3c2C#N)C1	ZINC000587995526	398473971	/nfs/dbraw/zinc/47/39/71/398473971.db2.gz	XFNDIQHRIMMBHA-ZYHUDNBSSA-N	0	3	303.797	2.611	20	30		DFEDHN
Cc1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)on1	ZINC000181699086	199340619	/nfs/dbraw/zinc/34/06/19/199340619.db2.gz	ANBPFZNUSXXPQZ-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
COCC1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1	ZINC000291227676	398478594	/nfs/dbraw/zinc/47/85/94/398478594.db2.gz	TUKXWIKNHCWDIE-SFHVURJKSA-N	0	3	313.445	2.686	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(C#N)cc1	ZINC000272723923	210129684	/nfs/dbraw/zinc/12/96/84/210129684.db2.gz	JOJJFMQBNXCMLM-KBPBESRZSA-N	0	3	312.417	2.569	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000596706951	398482206	/nfs/dbraw/zinc/48/22/06/398482206.db2.gz	DANRMYXNMUYTLJ-ZDUSSCGKSA-N	0	3	316.405	2.561	20	30		DFEDHN
COC(=O)[C@@H]1CN(CCCC#N)C[C@H]1c1ccc(Cl)cc1	ZINC000292490544	398484861	/nfs/dbraw/zinc/48/48/61/398484861.db2.gz	SWGAZPZUNRIAQJ-LSDHHAIUSA-N	0	3	306.793	2.832	20	30		DFEDHN
C=CCC[C@@H](C)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000279608712	215001954	/nfs/dbraw/zinc/00/19/54/215001954.db2.gz	FLBHCXBMSUWVTB-MFKMUULPSA-N	0	3	311.223	2.920	20	30		DFEDHN
CCc1nc(C#N)cc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308175335	398513067	/nfs/dbraw/zinc/51/30/67/398513067.db2.gz	FBJBKGFIQDLMQM-QGZVFWFLSA-N	0	3	321.428	2.621	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000596855596	398514163	/nfs/dbraw/zinc/51/41/63/398514163.db2.gz	YTRGCDBQJRNFRI-KRWDZBQOSA-N	0	3	300.406	2.558	20	30		DFEDHN
CCc1cccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000592997800	398516227	/nfs/dbraw/zinc/51/62/27/398516227.db2.gz	IRWNJWWSWYEPEV-IBGZPJMESA-N	0	3	324.424	2.845	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCCCC2)CCN1C	ZINC000596861437	398516318	/nfs/dbraw/zinc/51/63/18/398516318.db2.gz	LLFKWACIXKOYOP-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
CN(C)CCN(C(=O)NCC1(C#N)CCCCC1)C1CCCC1	ZINC000596861992	398517210	/nfs/dbraw/zinc/51/72/10/398517210.db2.gz	UIQAVLXQPYVYEQ-UHFFFAOYSA-N	0	3	320.481	2.976	20	30		DFEDHN
CC(C)(CCC#N)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000588930350	398517843	/nfs/dbraw/zinc/51/78/43/398517843.db2.gz	ORGQZKBJAOGPBF-UHFFFAOYSA-N	0	3	319.361	2.786	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCCCC2)CCN1C	ZINC000596861440	398516695	/nfs/dbraw/zinc/51/66/95/398516695.db2.gz	LLFKWACIXKOYOP-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)NCC1(C#N)CCCCC1	ZINC000596860450	398516741	/nfs/dbraw/zinc/51/67/41/398516741.db2.gz	ZYILOOZOONEGNL-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1(C#N)CCCCC1	ZINC000596867866	398518673	/nfs/dbraw/zinc/51/86/73/398518673.db2.gz	GWXZSKGNKZLMMJ-OAHLLOKOSA-N	0	3	320.481	2.832	20	30		DFEDHN
COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000593064600	398535956	/nfs/dbraw/zinc/53/59/56/398535956.db2.gz	RNIXDSJHPCUBOA-RBUKOAKNSA-N	0	3	322.408	2.807	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](NC2(C3CCC3)CC2)C1=O	ZINC000593083224	398540666	/nfs/dbraw/zinc/54/06/66/398540666.db2.gz	VXFZVKYGJVVTCO-CYBMUJFWSA-N	0	3	301.415	2.647	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCc3nccn3C2)c(C(F)(F)F)c1	ZINC000589311522	398544728	/nfs/dbraw/zinc/54/47/28/398544728.db2.gz	HPRYWWQTTUGUJR-ZDUSSCGKSA-N	0	3	320.318	2.878	20	30		DFEDHN
C=CCOc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1	ZINC000091855692	398547019	/nfs/dbraw/zinc/54/70/19/398547019.db2.gz	CBVDAKRIFUCKKD-DLBZAZTESA-N	0	3	305.443	2.958	20	30		DFEDHN
CC(C)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCC1	ZINC000589342394	398547267	/nfs/dbraw/zinc/54/72/67/398547267.db2.gz	PMFRIJWUDNNNRQ-MSOLQXFVSA-N	0	3	311.429	2.782	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](N4CCCC4=O)C3)cc2)CC1	ZINC000597006197	398544977	/nfs/dbraw/zinc/54/49/77/398544977.db2.gz	CLVDGJWSUMBYAN-SFHVURJKSA-N	0	3	323.440	2.829	20	30		DFEDHN
CC(C)(C)C(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000320187948	398545665	/nfs/dbraw/zinc/54/56/65/398545665.db2.gz	SEGFCLLOXFHKDC-UHFFFAOYSA-N	0	3	322.474	2.994	20	30		DFEDHN
CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C#N	ZINC000321627181	398553436	/nfs/dbraw/zinc/55/34/36/398553436.db2.gz	VDVQMNBHKGNXRF-QGZVFWFLSA-N	0	3	314.360	2.569	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN[C@H]2CCc3ccccc32)cc1	ZINC000322026384	398555572	/nfs/dbraw/zinc/55/55/72/398555572.db2.gz	WFLCZWXSGKYMHF-APWZRJJASA-N	0	3	308.381	2.575	20	30		DFEDHN
N#Cc1ccnc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1	ZINC000593138944	398556290	/nfs/dbraw/zinc/55/62/90/398556290.db2.gz	DQLSRVIIJJKUPG-GHMZBOCLSA-N	0	3	313.279	2.639	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1	ZINC000092097889	398557130	/nfs/dbraw/zinc/55/71/30/398557130.db2.gz	KHUFVDYGXKJTBC-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
N#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)n1	ZINC000593178949	398565858	/nfs/dbraw/zinc/56/58/58/398565858.db2.gz	DTLJIPULZJZFJL-WDEREUQCSA-N	0	3	313.279	2.639	20	30		DFEDHN
C=CCc1cc(CN[C@H](CO)CC2CCC2)cc(OC)c1O	ZINC000279822652	215176117	/nfs/dbraw/zinc/17/61/17/215176117.db2.gz	PPGCIMBULLDSQL-INIZCTEOSA-N	0	3	305.418	2.770	20	30		DFEDHN
C=C(CNCc1cccc(NS(C)(=O)=O)c1)c1ccccc1	ZINC000589646222	398568910	/nfs/dbraw/zinc/56/89/10/398568910.db2.gz	PFXJYYJAPGZZOL-UHFFFAOYSA-N	0	3	316.426	2.861	20	30		DFEDHN
N#Cc1ccc(F)c(CN[C@H](CC(N)=O)C2CCCCC2)c1	ZINC000182013010	199374889	/nfs/dbraw/zinc/37/48/89/199374889.db2.gz	IOVSVQDUFHFSAB-MRXNPFEDSA-N	0	3	303.381	2.611	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)COC(C)(C)C	ZINC000069520470	398574213	/nfs/dbraw/zinc/57/42/13/398574213.db2.gz	KGZBOFQUNIRINQ-QGZVFWFLSA-N	0	3	304.434	2.945	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@@H]([C@@H](O)C(F)(F)F)C3)cc2)CC1	ZINC000597142991	398575267	/nfs/dbraw/zinc/57/52/67/398575267.db2.gz	WUOKKRRHNBPTSH-UKRRQHHQSA-N	0	3	324.346	2.987	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1	ZINC000279895117	215214969	/nfs/dbraw/zinc/21/49/69/215214969.db2.gz	UYTYDNJDLJMOCW-ADAWSYLGSA-N	0	3	300.402	2.888	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1C[C@H](C)O	ZINC000279927738	215243953	/nfs/dbraw/zinc/24/39/53/215243953.db2.gz	WPDQFCJTXPRLBL-GOEBONIOSA-N	0	3	318.417	2.571	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN2CC(CC#N)C2)CC1	ZINC000597193978	398586583	/nfs/dbraw/zinc/58/65/83/398586583.db2.gz	LTCCIQFTGDLNPJ-UHFFFAOYSA-N	0	3	312.461	2.564	20	30		DFEDHN
Cc1ccc(CCNCc2cnc3c(C#N)cnn3c2)cc1C	ZINC000597200469	398589016	/nfs/dbraw/zinc/58/90/16/398589016.db2.gz	XCHXDKPMYGKBHE-UHFFFAOYSA-N	0	3	305.385	2.550	20	30		DFEDHN
C[C@H](CN[C@H]1CCCC[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000597195971	398587636	/nfs/dbraw/zinc/58/76/36/398587636.db2.gz	PDPXNTGIYYJRCB-KMFMINBZSA-N	0	3	320.458	2.866	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@H](C(N)=O)[C@H](C)c1ccccc1	ZINC000590000812	398589281	/nfs/dbraw/zinc/58/92/81/398589281.db2.gz	PGEYCHMYMHGUFB-KDOFPFPSSA-N	0	3	307.397	2.614	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1	ZINC000349977395	398592933	/nfs/dbraw/zinc/59/29/33/398592933.db2.gz	ARWGCWHQNOQURP-UHFFFAOYSA-N	0	3	314.389	2.769	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1Cl	ZINC000597221652	398595697	/nfs/dbraw/zinc/59/56/97/398595697.db2.gz	VCRUVIQGWXDULE-BETUJISGSA-N	0	3	309.793	2.946	20	30		DFEDHN
N#Cc1cccc(CN2CCC(OC3CCOCC3)CC2)c1	ZINC000133637134	186001571	/nfs/dbraw/zinc/00/15/71/186001571.db2.gz	KRDDCEYSCNZKTM-UHFFFAOYSA-N	0	3	300.402	2.718	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(OC)c(C)cc2C)CC1	ZINC000279994519	215297766	/nfs/dbraw/zinc/29/77/66/215297766.db2.gz	JOWSURGLXSYIQL-UHFFFAOYSA-N	0	3	300.402	2.596	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)cc1F	ZINC000597237837	398601775	/nfs/dbraw/zinc/60/17/75/398601775.db2.gz	DDOYVTLISOWFLF-DOTOQJQBSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@]1(C)CO	ZINC000597236821	398600659	/nfs/dbraw/zinc/60/06/59/398600659.db2.gz	UHOKYGXUKHVFCI-MAUKXSAKSA-N	0	3	302.418	2.819	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]2CCCO)cc(OC)c1O	ZINC000092784911	398600943	/nfs/dbraw/zinc/60/09/43/398600943.db2.gz	SQANEANXEUOEAN-INIZCTEOSA-N	0	3	305.418	2.866	20	30		DFEDHN
N#Cc1ccc2nc(NC3CCN([C@@H]4CCOC4)CC3)ccc2c1	ZINC000092923366	398607237	/nfs/dbraw/zinc/60/72/37/398607237.db2.gz	IVLSQSAZTSONHT-QGZVFWFLSA-N	0	3	322.412	2.772	20	30		DFEDHN
COc1cccc(CC2CCN(CCOCCC#N)CC2)c1	ZINC000590173466	398602778	/nfs/dbraw/zinc/60/27/78/398602778.db2.gz	RYZDFCNHFMVIMU-UHFFFAOYSA-N	0	3	302.418	2.880	20	30		DFEDHN
N#Cc1ccc2nc(N3CCN(c4ccncc4)CC3)ccc2c1	ZINC000092886354	398604316	/nfs/dbraw/zinc/60/43/16/398604316.db2.gz	HKIUTTGRNLNZGC-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
Cc1cc(Nc2cnn(CCN3CCCCC3)c2)c(C#N)c(C)n1	ZINC000092978369	398611463	/nfs/dbraw/zinc/61/14/63/398611463.db2.gz	ORGQCVPVPPQVQO-UHFFFAOYSA-N	0	3	324.432	2.996	20	30		DFEDHN
COC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)c[nH]1	ZINC000590320159	398613137	/nfs/dbraw/zinc/61/31/37/398613137.db2.gz	NDACJQBHFSHCGH-CYBMUJFWSA-N	0	3	319.320	2.840	20	30		DFEDHN
COC(=O)c1cc(C(=O)C(C#N)c2ccc3ccccc3n2)c[nH]1	ZINC000590320160	398613245	/nfs/dbraw/zinc/61/32/45/398613245.db2.gz	NDACJQBHFSHCGH-ZDUSSCGKSA-N	0	3	319.320	2.840	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000593387352	398615650	/nfs/dbraw/zinc/61/56/50/398615650.db2.gz	OPMAIFVNYGFZEX-HNNXBMFYSA-N	0	3	314.433	2.625	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000593397174	398618020	/nfs/dbraw/zinc/61/80/20/398618020.db2.gz	TXGHNOGBKCJLCU-WMLDXEAASA-N	0	3	317.433	2.744	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCCCN1C1CC1)C2	ZINC000593396412	398618084	/nfs/dbraw/zinc/61/80/84/398618084.db2.gz	QPXKKNROOICEKZ-QGZVFWFLSA-N	0	3	324.428	2.600	20	30		DFEDHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597331720	398622432	/nfs/dbraw/zinc/62/24/32/398622432.db2.gz	ZXLPRWKONPXSEV-STQMWFEESA-N	0	3	319.355	2.535	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000593426276	398625334	/nfs/dbraw/zinc/62/53/34/398625334.db2.gz	ICLUGPMQNZFOJW-AWEZNQCLSA-N	0	3	307.825	2.780	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	ZINC000043585758	398626406	/nfs/dbraw/zinc/62/64/06/398626406.db2.gz	VHVAKVKWAFQBPS-KBPBESRZSA-N	0	3	317.433	2.861	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](CC3CC3)C2)cc1	ZINC000590524473	398629084	/nfs/dbraw/zinc/62/90/84/398629084.db2.gz	ZVXJAIXLSMBRAG-ROUUACIJSA-N	0	3	307.397	2.889	20	30		DFEDHN
C=CCCCN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000152404042	186069452	/nfs/dbraw/zinc/06/94/52/186069452.db2.gz	ZHMUDLRSKZBQQD-QGZVFWFLSA-N	0	3	303.450	2.767	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000593475207	398640044	/nfs/dbraw/zinc/64/00/44/398640044.db2.gz	IQUDYKXEXLNZEQ-NSHDSACASA-N	0	3	309.797	2.769	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)N(C)C	ZINC000590621826	398640713	/nfs/dbraw/zinc/64/07/13/398640713.db2.gz	UQWFENLKFLCBON-QMMMGPOBSA-N	0	3	300.189	2.545	20	30		DFEDHN
CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)CC#N)c2)CC1	ZINC000597459285	398645159	/nfs/dbraw/zinc/64/51/59/398645159.db2.gz	LKZBNIPXWKLXBN-HNNXBMFYSA-N	0	3	314.433	2.705	20	30		DFEDHN
CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1ccccc1C	ZINC000593500493	398647724	/nfs/dbraw/zinc/64/77/24/398647724.db2.gz	OXESZKJOMDLGLA-ZFWWWQNUSA-N	0	3	302.374	2.655	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1OC	ZINC000590657290	398646413	/nfs/dbraw/zinc/64/64/13/398646413.db2.gz	CBKANVRVGDVFLX-CABCVRRESA-N	0	3	319.401	2.691	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000368999551	398652583	/nfs/dbraw/zinc/65/25/83/398652583.db2.gz	FJTXSERNCQQHFS-CYBMUJFWSA-N	0	3	305.382	2.758	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000593534871	398653076	/nfs/dbraw/zinc/65/30/76/398653076.db2.gz	GJOVWGDRVGIQHD-OCCSQVGLSA-N	0	3	302.374	2.593	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N[C@H](CO)CN2CCCCC2)n1	ZINC000590702043	398655035	/nfs/dbraw/zinc/65/50/35/398655035.db2.gz	RHPAAYRITPTHOR-HNNXBMFYSA-N	0	3	316.449	2.509	20	30		DFEDHN
CC(C)[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000171945098	198012224	/nfs/dbraw/zinc/01/22/24/198012224.db2.gz	QFMCCQBDYRIJDX-HNNXBMFYSA-N	0	3	301.434	2.741	20	30		DFEDHN
C=CCCCN(CC)CC(=O)Nc1ccc(NC(C)=O)cc1	ZINC000172173373	198052804	/nfs/dbraw/zinc/05/28/04/198052804.db2.gz	KEBNESUANLCBOA-UHFFFAOYSA-N	0	3	303.406	2.872	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)c1cc2ccccc2n1CC#N	ZINC000597606284	398667485	/nfs/dbraw/zinc/66/74/85/398667485.db2.gz	VWPCFLHDYKHSLM-INIZCTEOSA-N	0	3	324.428	2.721	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]1c1cccnc1	ZINC000597612050	398669219	/nfs/dbraw/zinc/66/92/19/398669219.db2.gz	WILHZUBVIMQGGH-NXHRZFHOSA-N	0	3	305.381	2.826	20	30		DFEDHN
CCn1ccnc1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593692401	398671229	/nfs/dbraw/zinc/67/12/29/398671229.db2.gz	FBJMMMGCGJCGFT-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000597640620	398672815	/nfs/dbraw/zinc/67/28/15/398672815.db2.gz	CPOFPTJGFPEYRL-TZMCWYRMSA-N	0	3	307.825	2.651	20	30		DFEDHN
CCC(C#N)C(=O)N[C@](CC)(C(=O)OC)c1ccc(Cl)cc1	ZINC000593699269	398673904	/nfs/dbraw/zinc/67/39/04/398673904.db2.gz	DSXWJQMLTSOCEB-ZBEGNZNMSA-N	0	3	322.792	2.784	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000593702126	398674330	/nfs/dbraw/zinc/67/43/30/398674330.db2.gz	CRBZWKOXZGJEJL-GXTWGEPZSA-N	0	3	307.825	2.651	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nn1CC)C(C)C	ZINC000101684398	398674371	/nfs/dbraw/zinc/67/43/71/398674371.db2.gz	PLRBIFJQVXPZPS-QGZVFWFLSA-N	0	3	318.465	2.640	20	30		DFEDHN
C=CCCOCC(=O)Nc1ccccc1NC1CCN(C)CC1	ZINC000590832977	398683955	/nfs/dbraw/zinc/68/39/55/398683955.db2.gz	HNQNWEDGKLTSRI-UHFFFAOYSA-N	0	3	317.433	2.724	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000173444507	198215592	/nfs/dbraw/zinc/21/55/92/198215592.db2.gz	ZPPBXRUNOGQNRB-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)nn(CC)c2Cl)CC1	ZINC000173579911	198229964	/nfs/dbraw/zinc/22/99/64/198229964.db2.gz	JTHVVHMCHJCDIJ-UHFFFAOYSA-N	0	3	324.856	2.635	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1	ZINC000045864533	398687993	/nfs/dbraw/zinc/68/79/93/398687993.db2.gz	DESXPCRPNSQFDC-UHFFFAOYSA-N	0	3	321.424	2.599	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cc(C(CC)CC)no2)CC1	ZINC000173642572	198235502	/nfs/dbraw/zinc/23/55/02/198235502.db2.gz	BBOMJVDWIKHTMK-UHFFFAOYSA-N	0	3	317.433	2.540	20	30		DFEDHN
CC(C)OC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000173666615	198238551	/nfs/dbraw/zinc/23/85/51/198238551.db2.gz	NXOCBJQJVGCFSQ-UHFFFAOYSA-N	0	3	316.401	2.743	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)CO1	ZINC000593807157	398691047	/nfs/dbraw/zinc/69/10/47/398691047.db2.gz	GRYLEVDNIPBLSM-DJIMGWMZSA-N	0	3	300.402	2.785	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C2CC2)on1)C(C)C	ZINC000073706982	398695664	/nfs/dbraw/zinc/69/56/64/398695664.db2.gz	BPUUCBLUMVYVDZ-MRXNPFEDSA-N	0	3	317.433	2.980	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(C[C@@H](O)c2ccccc2)CC1	ZINC000046087054	398695686	/nfs/dbraw/zinc/69/56/86/398695686.db2.gz	RVQKHIHRLCEYTQ-HXUWFJFHSA-N	0	3	321.424	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccc(OC)c2)CC1	ZINC000106034751	398695442	/nfs/dbraw/zinc/69/54/42/398695442.db2.gz	GNXLWAYHENZNGQ-OAHLLOKOSA-N	0	3	316.445	2.955	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)C2(CCC2)CO1	ZINC000593847448	398696944	/nfs/dbraw/zinc/69/69/44/398696944.db2.gz	GQBGTVMOXDKDER-DOTOQJQBSA-N	0	3	312.413	2.929	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cn(-c2cccc(F)c2)nc1C	ZINC000414360851	398698700	/nfs/dbraw/zinc/69/87/00/398698700.db2.gz	AZNFYAFBGULFKP-CQSZACIVSA-N	0	3	303.381	2.594	20	30		DFEDHN
CCNC(=O)c1ccc(CNCc2ccc(OC)c(C#N)c2)cc1	ZINC000174270986	198312644	/nfs/dbraw/zinc/31/26/44/198312644.db2.gz	OSTHDMBMNDYIIY-UHFFFAOYSA-N	0	3	323.396	2.606	20	30		DFEDHN
N#Cc1ccc(CNCCCC(=O)N2Cc3ccccc3C2)o1	ZINC000174381492	198327393	/nfs/dbraw/zinc/32/73/93/198327393.db2.gz	YBLQNZKYGBXFHD-UHFFFAOYSA-N	0	3	309.369	2.563	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCCCC1	ZINC000597848842	398704554	/nfs/dbraw/zinc/70/45/54/398704554.db2.gz	IAOGJFZFWQAYJQ-GOEBONIOSA-N	0	3	300.402	2.946	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCc2oc(-c3ccccc3)cc2C1	ZINC000593912155	398703093	/nfs/dbraw/zinc/70/30/93/398703093.db2.gz	BSDICQRHEKUDTR-MRXNPFEDSA-N	0	3	323.396	2.852	20	30		DFEDHN
C=CCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000174616147	198359571	/nfs/dbraw/zinc/35/95/71/198359571.db2.gz	CMNFODCFLPGCFJ-QGZVFWFLSA-N	0	3	301.434	2.726	20	30		DFEDHN
Cc1nnc(NCCCN2CCc3ccccc3C2)c(C#N)c1C	ZINC000046478995	398708172	/nfs/dbraw/zinc/70/81/72/398708172.db2.gz	VXXYNLUQCLQOSM-UHFFFAOYSA-N	0	3	321.428	2.825	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000597889491	398713540	/nfs/dbraw/zinc/71/35/40/398713540.db2.gz	IPHPEBGUNKCMIS-LJQANCHMSA-N	0	3	321.424	2.910	20	30		DFEDHN
Cc1ccc(NC(=O)CCCCC#N)c(OCCN(C)C)c1	ZINC000593982486	398713994	/nfs/dbraw/zinc/71/39/94/398713994.db2.gz	JEPFVCYJFGXNGU-UHFFFAOYSA-N	0	3	303.406	2.958	20	30		DFEDHN
Cc1ccncc1[C@H](C)NCCC(=O)Nc1ccccc1C#N	ZINC000591026700	398717011	/nfs/dbraw/zinc/71/70/11/398717011.db2.gz	ZPUKZDHOPAWDSP-AWEZNQCLSA-N	0	3	308.385	2.941	20	30		DFEDHN
N#CCCOCCN1CCC(c2ccc3cccnc3n2)CC1	ZINC000594019023	398722852	/nfs/dbraw/zinc/72/28/52/398722852.db2.gz	CSRXRCWSFZFVFU-UHFFFAOYSA-N	0	3	310.401	2.739	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000594020901	398723778	/nfs/dbraw/zinc/72/37/78/398723778.db2.gz	NNZNKLWQDQTQTA-UHFFFAOYSA-N	0	3	316.405	2.773	20	30		DFEDHN
N#Cc1ccc(C2(NCCC(=O)N3CCCCC3)CCC2)cc1	ZINC000594032062	398726941	/nfs/dbraw/zinc/72/69/41/398726941.db2.gz	BVQJMJCAWNRMEZ-UHFFFAOYSA-N	0	3	311.429	2.930	20	30		DFEDHN
CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCCCO1	ZINC000594041071	398728876	/nfs/dbraw/zinc/72/88/76/398728876.db2.gz	CDAATHFLQSWMSZ-CVEARBPZSA-N	0	3	321.465	2.609	20	30		DFEDHN
C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1	ZINC000594040944	398728593	/nfs/dbraw/zinc/72/85/93/398728593.db2.gz	HWKAPBVSFRVRAP-IAQYHMDHSA-N	0	3	321.371	2.888	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)C	ZINC000047010898	398732818	/nfs/dbraw/zinc/73/28/18/398732818.db2.gz	BOGGWGQZHUVDMH-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1CC1CCCC1	ZINC000594052343	398732930	/nfs/dbraw/zinc/73/29/30/398732930.db2.gz	DSPJFKDQBREDEZ-KRWDZBQOSA-N	0	3	316.449	2.687	20	30		DFEDHN
C[C@@H](Cn1ncc2ccccc2c1=O)NCc1ccc(C#N)s1	ZINC000131568874	283090313	/nfs/dbraw/zinc/09/03/13/283090313.db2.gz	GIKRIMQEEFUJEN-LBPRGKRZSA-N	0	3	324.409	2.508	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)c1	ZINC000047260221	398742382	/nfs/dbraw/zinc/74/23/82/398742382.db2.gz	IKPZTLQCAPCVLT-KRWDZBQOSA-N	0	3	320.396	2.804	20	30		DFEDHN
CN(C)C1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000591321831	398748987	/nfs/dbraw/zinc/74/89/87/398748987.db2.gz	WAFBRQRRTRGTGJ-UHFFFAOYSA-N	0	3	312.200	2.689	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCCC1	ZINC000074582081	398754285	/nfs/dbraw/zinc/75/42/85/398754285.db2.gz	GBNVATMVLZERHL-CYBMUJFWSA-N	0	3	303.381	2.578	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC1(F)F	ZINC000591377442	398754483	/nfs/dbraw/zinc/75/44/83/398754483.db2.gz	YUIQZWNODXSBFQ-GLQYFDAESA-N	0	3	319.355	2.687	20	30		DFEDHN
COc1ccccc1[C@@H](N)CNc1nc2c(cc1C#N)CCC2	ZINC000591424636	398758816	/nfs/dbraw/zinc/75/88/16/398758816.db2.gz	MCDVSVAMHQGEMC-HNNXBMFYSA-N	0	3	308.385	2.562	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN(C2CCCCC2)CC1	ZINC000133267973	283145801	/nfs/dbraw/zinc/14/58/01/283145801.db2.gz	JHWSLQLITRHYGH-UHFFFAOYSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@](O)(C2CC2)C1	ZINC000598188396	398766409	/nfs/dbraw/zinc/76/64/09/398766409.db2.gz	SGCIRGYJVFQFBP-QFBILLFUSA-N	0	3	312.413	2.522	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl	ZINC000598189550	398766426	/nfs/dbraw/zinc/76/64/26/398766426.db2.gz	BFLBSKSNJNJIFF-LDYMZIIASA-N	0	3	301.173	2.645	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CCC4(CCC4)C3)C2=O)cc1	ZINC000182844624	283159249	/nfs/dbraw/zinc/15/92/49/283159249.db2.gz	XQFPDACCTVLUGY-KRWDZBQOSA-N	0	3	309.413	2.930	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000598193992	398766970	/nfs/dbraw/zinc/76/69/70/398766970.db2.gz	CTXFFTUVGCNONS-PKOBYXMFSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1	ZINC000598193945	398767015	/nfs/dbraw/zinc/76/70/15/398767015.db2.gz	HTGBLUXEELPESA-ZWNOBZJWSA-N	0	3	323.190	2.509	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1F	ZINC000591504355	398768279	/nfs/dbraw/zinc/76/82/79/398768279.db2.gz	UWUYIVCOZHKRGB-YPMHNXCESA-N	0	3	302.271	2.633	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1F	ZINC000591501525	398768321	/nfs/dbraw/zinc/76/83/21/398768321.db2.gz	JRSQGYRVISIZCC-MRXNPFEDSA-N	0	3	315.392	2.578	20	30		DFEDHN
COc1cc(Cl)ccc1[C@@H](C)NC1CCN(CC#N)CC1	ZINC000591531581	398770306	/nfs/dbraw/zinc/77/03/06/398770306.db2.gz	LMHWSMRXIWWQFG-GFCCVEGCSA-N	0	3	307.825	2.987	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CCOCC1)C(C)C	ZINC000074853169	398772270	/nfs/dbraw/zinc/77/22/70/398772270.db2.gz	IZRBNAOWZYXCDK-KRWDZBQOSA-N	0	3	323.481	2.505	20	30		DFEDHN
N#Cc1ccsc1C(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000598220545	398773538	/nfs/dbraw/zinc/77/35/38/398773538.db2.gz	QLWZYJBZUXUJRR-ZDUSSCGKSA-N	0	3	303.431	2.757	20	30		DFEDHN
Cc1ccccc1-c1csc(NC(=O)[C@@]2(C#N)CCNC2)n1	ZINC000591594258	398774663	/nfs/dbraw/zinc/77/46/63/398774663.db2.gz	VDRLLSQSBJTEAH-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
Cc1nc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)oc1C	ZINC000591599892	398775219	/nfs/dbraw/zinc/77/52/19/398775219.db2.gz	KBMVVIWTMGFPJN-HNNXBMFYSA-N	0	3	312.373	2.918	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCc3cc(-c4ccccc4)ccc32)CCNC1	ZINC000591602792	398775383	/nfs/dbraw/zinc/77/53/83/398775383.db2.gz	JAVAWYXRADWSFX-HXUWFJFHSA-N	0	3	317.392	2.746	20	30		DFEDHN
N#C[C@@]1(C(=O)NCc2cccc(Oc3ccccc3)c2)CCNC1	ZINC000591598172	398775495	/nfs/dbraw/zinc/77/54/95/398775495.db2.gz	JXZVWJWCXQJRIA-IBGZPJMESA-N	0	3	321.380	2.598	20	30		DFEDHN
N#C[C@@]1(C(=O)NCCc2cccc(-c3ccccc3)c2)CCNC1	ZINC000591613991	398776171	/nfs/dbraw/zinc/77/61/71/398776171.db2.gz	DTEOCSSFWRGTQU-FQEVSTJZSA-N	0	3	319.408	2.516	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N	ZINC000591608196	398776247	/nfs/dbraw/zinc/77/62/47/398776247.db2.gz	RUDGVPYJBLECLX-CVEARBPZSA-N	0	3	315.417	2.770	20	30		DFEDHN
Cc1cccc(-c2cccc(CNC(=O)[C@@]3(C#N)CCNC3)c2)c1	ZINC000591609262	398776342	/nfs/dbraw/zinc/77/63/42/398776342.db2.gz	YFTIBDQQXWZDMR-HXUWFJFHSA-N	0	3	319.408	2.782	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(COc3ccccc3)cc2)CCNC1	ZINC000591634047	398777567	/nfs/dbraw/zinc/77/75/67/398777567.db2.gz	GNVFMCXAGVBNHN-IBGZPJMESA-N	0	3	321.380	2.707	20	30		DFEDHN
Cc1nc(-c2ccccc2)sc1NC(=O)[C@@]1(C#N)CCNC1	ZINC000591636893	398777830	/nfs/dbraw/zinc/77/78/30/398777830.db2.gz	NZDUWEMTXRAIDE-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000598260244	398779597	/nfs/dbraw/zinc/77/95/97/398779597.db2.gz	JJTDULXZIKFHFF-ZDUSSCGKSA-N	0	3	303.381	2.548	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@]3(CCCCO3)C2)cc1	ZINC000376468725	283187572	/nfs/dbraw/zinc/18/75/72/283187572.db2.gz	MQZQOYZELCHSBF-ZWKOTPCHSA-N	0	3	300.402	2.627	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594341776	398785358	/nfs/dbraw/zinc/78/53/58/398785358.db2.gz	XJEFSACRQALTGN-YJBOKZPZSA-N	0	3	313.445	2.726	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000591744209	398784104	/nfs/dbraw/zinc/78/41/04/398784104.db2.gz	DBBKKCJGXFWQAQ-MISYRCLQSA-N	0	3	322.408	2.618	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](O)COc2ccccc2Cl)s1	ZINC000591770893	398786294	/nfs/dbraw/zinc/78/62/94/398786294.db2.gz	CCMJVNUDNMBVMW-NSHDSACASA-N	0	3	322.817	2.803	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC1(C)C	ZINC000594369223	398788610	/nfs/dbraw/zinc/78/86/10/398788610.db2.gz	FELULNHEDIKSIP-OAHLLOKOSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCCC[C@@H]1C	ZINC000048977614	398789662	/nfs/dbraw/zinc/78/96/62/398789662.db2.gz	VJPDDKKNOSTJCX-GJZGRUSLSA-N	0	3	314.433	2.620	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC000594400314	398792560	/nfs/dbraw/zinc/79/25/60/398792560.db2.gz	PSDAJNMVCREORZ-FVCCEPFGSA-N	0	3	308.422	2.655	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000591850147	398794645	/nfs/dbraw/zinc/79/46/45/398794645.db2.gz	OJBJTGYNOICYIK-GRDNDAEWSA-N	0	3	314.433	2.601	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2NCc2ccc(C(C)(C)C#N)cc2)cn1	ZINC000591852854	398795569	/nfs/dbraw/zinc/79/55/69/398795569.db2.gz	FEORHFPWZVMAAS-MSOLQXFVSA-N	0	3	324.428	2.841	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000598343402	398796200	/nfs/dbraw/zinc/79/62/00/398796200.db2.gz	UGXNKVZKQQIMEH-MRXNPFEDSA-N	0	3	317.408	2.575	20	30		DFEDHN
CCOc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594426426	398797647	/nfs/dbraw/zinc/79/76/47/398797647.db2.gz	CUPFAUJXIGONKF-CZUORRHYSA-N	0	3	303.406	2.674	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCCC#N	ZINC000594426545	398797966	/nfs/dbraw/zinc/79/79/66/398797966.db2.gz	DXVPAFHMQDIGBU-KRWDZBQOSA-N	0	3	315.417	2.621	20	30		DFEDHN
CN(CCCCc1ccccc1)C(=O)[C@H](N)CCCCC#N	ZINC000594426847	398798061	/nfs/dbraw/zinc/79/80/61/398798061.db2.gz	FUFJWTXVOKCQRL-QGZVFWFLSA-N	0	3	301.434	2.879	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1cc2c(s1)CCCC2	ZINC000594425779	398798065	/nfs/dbraw/zinc/79/80/65/398798065.db2.gz	BYEUJYWVDRPZDO-CQSZACIVSA-N	0	3	305.447	2.654	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000591868972	398798300	/nfs/dbraw/zinc/79/83/00/398798300.db2.gz	BERPBDXOMGLAIK-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl	ZINC000594428960	398798436	/nfs/dbraw/zinc/79/84/36/398798436.db2.gz	PHTQZWFGTVFTHK-ZDUSSCGKSA-N	0	3	322.796	2.648	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccccc21	ZINC000594428355	398798973	/nfs/dbraw/zinc/79/89/73/398798973.db2.gz	YIEIOXCGXYBGBE-ZIAGYGMSSA-N	0	3	303.431	2.751	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1Cl	ZINC000594426926	398798984	/nfs/dbraw/zinc/79/89/84/398798984.db2.gz	HRGQXJIPADMDJD-TZMCWYRMSA-N	0	3	323.824	2.635	20	30		DFEDHN
CCC(CC)c1nnc(NC(=O)[C@H](N)CCCCC#N)s1	ZINC000594427583	398798762	/nfs/dbraw/zinc/79/87/62/398798762.db2.gz	VNGWKWSGKYMXGF-LLVKDONJSA-N	0	3	309.439	2.791	20	30		DFEDHN
CC(=O)Nc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Cl	ZINC000594431013	398799667	/nfs/dbraw/zinc/79/96/67/398799667.db2.gz	FSBRIIOEVJPBER-CYBMUJFWSA-N	0	3	322.796	2.648	20	30		DFEDHN
CC(C)Oc1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594429633	398799720	/nfs/dbraw/zinc/79/97/20/398799720.db2.gz	UVLUZUMGXDVTNI-QGZVFWFLSA-N	0	3	317.433	2.544	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCc1cccc2ccccc21	ZINC000594430044	398799727	/nfs/dbraw/zinc/79/97/27/398799727.db2.gz	XNDPXCZSGHTITD-SFHVURJKSA-N	0	3	309.413	2.910	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1	ZINC000594431242	398799774	/nfs/dbraw/zinc/79/97/74/398799774.db2.gz	JZRLMRPQRDMDSF-OAHLLOKOSA-N	0	3	303.381	2.732	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594433302	398800335	/nfs/dbraw/zinc/80/03/35/398800335.db2.gz	NNBSTXRESUCACB-GJZGRUSLSA-N	0	3	323.824	2.555	20	30		DFEDHN
COc1ccc([C@@H](C)CCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594433648	398800591	/nfs/dbraw/zinc/80/05/91/398800591.db2.gz	QCKLDTUSNKHRRS-WMLDXEAASA-N	0	3	317.433	2.716	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000594431627	398800367	/nfs/dbraw/zinc/80/03/67/398800367.db2.gz	PCOHRDRDOSOLRR-LSDHHAIUSA-N	0	3	305.809	2.855	20	30		DFEDHN
CCOc1cc(Cl)ccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594435859	398801432	/nfs/dbraw/zinc/80/14/32/398801432.db2.gz	FVBXVCVRQWULTB-AWEZNQCLSA-N	0	3	323.824	2.766	20	30		DFEDHN
CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](N)CCCCC#N	ZINC000594435048	398801614	/nfs/dbraw/zinc/80/16/14/398801614.db2.gz	ZQLXEHXUVVGAKE-AWEZNQCLSA-N	0	3	311.788	2.849	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000594437229	398802095	/nfs/dbraw/zinc/80/20/95/398802095.db2.gz	MOYDAUOHESJKAX-KRWDZBQOSA-N	0	3	322.412	2.776	20	30		DFEDHN
CCOc1cc(Cl)ccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594435860	398802349	/nfs/dbraw/zinc/80/23/49/398802349.db2.gz	FVBXVCVRQWULTB-CQSZACIVSA-N	0	3	323.824	2.766	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)n1	ZINC000594436592	398802468	/nfs/dbraw/zinc/80/24/68/398802468.db2.gz	DJFLQGLVTMMOEL-KBPBESRZSA-N	0	3	320.462	2.569	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1nccs1	ZINC000594438356	398802674	/nfs/dbraw/zinc/80/26/74/398802674.db2.gz	OJMRSFLRTWCMOF-QWHCGFSZSA-N	0	3	306.435	2.608	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1	ZINC000594444522	398803942	/nfs/dbraw/zinc/80/39/42/398803942.db2.gz	RQARRBSAGASCRT-SJORKVTESA-N	0	3	314.433	2.937	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc2O1	ZINC000594445060	398804004	/nfs/dbraw/zinc/80/40/04/398804004.db2.gz	OMHVWFCFZOXHCU-CABCVRRESA-N	0	3	315.417	2.816	20	30		DFEDHN
Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H](N)CCCCC#N	ZINC000594444619	398804049	/nfs/dbraw/zinc/80/40/49/398804049.db2.gz	ABIGIBHRWBNRNM-CQSZACIVSA-N	0	3	311.389	2.735	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CCN(CC(C)C)CC3)c2c1	ZINC000591892337	398804320	/nfs/dbraw/zinc/80/43/20/398804320.db2.gz	XIWYOGGYWIQBMB-UHFFFAOYSA-N	0	3	324.428	2.893	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H](N)CCCCC#N	ZINC000594446270	398804605	/nfs/dbraw/zinc/80/46/05/398804605.db2.gz	RRGKSTUNTAWRHG-FRFSOERESA-N	0	3	317.408	2.941	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1	ZINC000594443345	398803804	/nfs/dbraw/zinc/80/38/04/398803804.db2.gz	OMEIJEOXDNEPDG-SNVBAGLBSA-N	0	3	321.331	2.850	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	ZINC000594443345	398803808	/nfs/dbraw/zinc/80/38/08/398803808.db2.gz	OMEIJEOXDNEPDG-SNVBAGLBSA-N	0	3	321.331	2.850	20	30		DFEDHN
C[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594454142	398805788	/nfs/dbraw/zinc/80/57/88/398805788.db2.gz	UITUDINOPHHQGY-SJLPKXTDSA-N	0	3	317.408	2.727	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000050136815	398804815	/nfs/dbraw/zinc/80/48/15/398804815.db2.gz	YYNYDCSXXWSYBW-OAHLLOKOSA-N	0	3	319.474	2.625	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCCn1ccc2ccccc21	ZINC000594446942	398804844	/nfs/dbraw/zinc/80/48/44/398804844.db2.gz	ZUNSUMZZTZLMLZ-INIZCTEOSA-N	0	3	312.417	2.559	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1F	ZINC000594458639	398806446	/nfs/dbraw/zinc/80/64/46/398806446.db2.gz	PDRYGLAVAMJAOA-QGZVFWFLSA-N	0	3	319.380	2.692	20	30		DFEDHN
CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)c2cc(F)ccc21	ZINC000594451720	398805864	/nfs/dbraw/zinc/80/58/64/398805864.db2.gz	BYEDIWAMSGWVKB-AWEZNQCLSA-N	0	3	303.381	2.861	20	30		DFEDHN
C[C@H](CO[C@H]1CCOC1)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594497097	398810097	/nfs/dbraw/zinc/81/00/97/398810097.db2.gz	BFTLJECEBLNFKY-PBHICJAKSA-N	0	3	302.418	2.771	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000594505876	398812139	/nfs/dbraw/zinc/81/21/39/398812139.db2.gz	DLUNSYCDYXKVKB-ZACQAIPSSA-N	0	3	301.386	2.784	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(F)c2F)CC1	ZINC000179316220	199014058	/nfs/dbraw/zinc/01/40/58/199014058.db2.gz	JTHUIDDGIVOODN-GFCCVEGCSA-N	0	3	323.387	2.975	20	30		DFEDHN
C[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1F	ZINC000594499953	398810782	/nfs/dbraw/zinc/81/07/82/398810782.db2.gz	IFCNYPJCNBOKHM-XJKSGUPXSA-N	0	3	317.408	2.601	20	30		DFEDHN
C[C@@H](NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F	ZINC000594509559	398812594	/nfs/dbraw/zinc/81/25/94/398812594.db2.gz	JSUDFRQFSFZYTC-APIJFGDWSA-N	0	3	319.424	2.846	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1	ZINC000179450113	199037154	/nfs/dbraw/zinc/03/71/54/199037154.db2.gz	IYJQOQWGZUSJJE-BEFAXECRSA-N	0	3	310.441	2.771	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ccc(C#N)cn2)CC1	ZINC000075669603	398816064	/nfs/dbraw/zinc/81/60/64/398816064.db2.gz	MFJKCJRHFUTPAY-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)CC1	ZINC000051436767	398822304	/nfs/dbraw/zinc/82/23/04/398822304.db2.gz	QCNIWTIHQSBYTL-UHFFFAOYSA-N	0	3	322.412	2.669	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	ZINC000051556897	398824282	/nfs/dbraw/zinc/82/42/82/398824282.db2.gz	CYYABONUFASGQL-GOSISDBHSA-N	0	3	311.429	2.783	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H]2CC(=O)OC)cc1	ZINC000179893233	199092793	/nfs/dbraw/zinc/09/27/93/199092793.db2.gz	VRZOSZDSUDFZMX-INIZCTEOSA-N	0	3	301.386	2.616	20	30		DFEDHN
C#CCCCCC(=O)Nc1ccnn1C1CCN(CC)CC1	ZINC000179992553	199104040	/nfs/dbraw/zinc/10/40/40/199104040.db2.gz	DHELSBPYENBFCT-UHFFFAOYSA-N	0	3	302.422	2.672	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H](C3CC3)[C@H]3CCCCO3)n2c1	ZINC000594614933	398834222	/nfs/dbraw/zinc/83/42/22/398834222.db2.gz	MRDQDXBDMPQFOF-SJLPKXTDSA-N	0	3	310.401	2.643	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCCO[C@H](c2ccccc2)C1	ZINC000598591246	398836455	/nfs/dbraw/zinc/83/64/55/398836455.db2.gz	XITQTBOIBIYWIQ-SJORKVTESA-N	0	3	302.418	2.751	20	30		DFEDHN
CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1OCCc2ccccc21	ZINC000598589301	398836722	/nfs/dbraw/zinc/83/67/22/398836722.db2.gz	HVPMWVCKXWIQDQ-WBVHZDCISA-N	0	3	302.418	2.533	20	30		DFEDHN
CC(C)[C@@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594656139	398838381	/nfs/dbraw/zinc/83/83/81/398838381.db2.gz	FODAAPFRDLISLO-CYBMUJFWSA-N	0	3	309.295	2.814	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](Nc2ccccc2)C1	ZINC000598597757	398838569	/nfs/dbraw/zinc/83/85/69/398838569.db2.gz	HOFACVJLAIIYPF-SJORKVTESA-N	0	3	301.434	2.864	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1cccs1)C1(CO)CCC1	ZINC000598619508	398842944	/nfs/dbraw/zinc/84/29/44/398842944.db2.gz	DNLWZAZIDGGHSE-ZFWWWQNUSA-N	0	3	322.474	2.842	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)C(C)(C)CO	ZINC000598615131	398841470	/nfs/dbraw/zinc/84/14/70/398841470.db2.gz	USKYYCUSDUNRGN-HOTGVXAUSA-N	0	3	304.434	2.637	20	30		DFEDHN
Cc1nnc(NC[C@@H](c2ccc(F)cc2)N(C)C)c(C#N)c1C	ZINC000052486110	398841703	/nfs/dbraw/zinc/84/17/03/398841703.db2.gz	SUBLCTRNYWANDR-INIZCTEOSA-N	0	3	313.380	2.819	20	30		DFEDHN
CN(C[C@H](O)CC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1	ZINC000598620713	398842652	/nfs/dbraw/zinc/84/26/52/398842652.db2.gz	NWKRBBTXAVJTOF-CABCVRRESA-N	0	3	310.825	2.606	20	30		DFEDHN
C[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C	ZINC000598626431	398843598	/nfs/dbraw/zinc/84/35/98/398843598.db2.gz	WHGUDSHPAKNXGZ-QLFBSQMISA-N	0	3	324.465	2.587	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@]2(C)CCCc3ccccc32)CC1	ZINC000180304768	199144205	/nfs/dbraw/zinc/14/42/05/199144205.db2.gz	TVDVWQCXLWBYCY-OAQYLSRUSA-N	0	3	324.468	2.742	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCCCC2CCC2)cc1	ZINC000594733037	398851374	/nfs/dbraw/zinc/85/13/74/398851374.db2.gz	PNEYQJHOFVWCRH-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
C=CCSCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000180458344	199161224	/nfs/dbraw/zinc/16/12/24/199161224.db2.gz	WYWABKPVAWFJBM-LLVKDONJSA-N	0	3	317.451	2.799	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccnc(OC2CCCC2)c1	ZINC000598714916	398860108	/nfs/dbraw/zinc/86/01/08/398860108.db2.gz	KLFFXYSWJNNBAG-OAHLLOKOSA-N	0	3	317.433	2.793	20	30		DFEDHN
CO[C@H](CNC[C@H](O)CC(C)(C)C#N)c1ccccc1Cl	ZINC000598726042	398863004	/nfs/dbraw/zinc/86/30/04/398863004.db2.gz	QOGZEBPGSCYJIQ-IUODEOHRSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)[C@H](O)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1	ZINC000598730304	398864012	/nfs/dbraw/zinc/86/40/12/398864012.db2.gz	SOCGQIQTQQKYAK-ULQDDVLXSA-N	0	3	304.434	2.635	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000598721485	398861516	/nfs/dbraw/zinc/86/15/16/398861516.db2.gz	WFIMGTVFOUBODS-ULQDDVLXSA-N	0	3	320.408	2.936	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)[C@@H]1CCCO1	ZINC000598720472	398861548	/nfs/dbraw/zinc/86/15/48/398861548.db2.gz	NKLWAPWQOIZBCK-ULQDDVLXSA-N	0	3	302.418	2.797	20	30		DFEDHN
CC(C#N)C(=O)NCC(F)(F)c1ccc(Br)cc1	ZINC000598780537	398873041	/nfs/dbraw/zinc/87/30/41/398873041.db2.gz	HDSIZPPBQJPYLM-QMMMGPOBSA-N	0	3	317.133	2.817	20	30		DFEDHN
CC(C)(C)N1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)CC1=O	ZINC000594942117	398877547	/nfs/dbraw/zinc/87/75/47/398877547.db2.gz	WUXYSBUWGUBIFL-MRXNPFEDSA-N	0	3	311.429	2.731	20	30		DFEDHN
CC(C)(CCS(C)(=O)=O)NCc1ccc(C2(C#N)CC2)cc1	ZINC000594930110	398874651	/nfs/dbraw/zinc/87/46/51/398874651.db2.gz	SCAUIWCRHKQNTR-UHFFFAOYSA-N	0	3	320.458	2.545	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]([C@@H](C)O)C2)cc(OC)c1O	ZINC000136849930	398875077	/nfs/dbraw/zinc/87/50/77/398875077.db2.gz	RVIXQIPOVJDQCC-CJNGLKHVSA-N	0	3	305.418	2.722	20	30		DFEDHN
CCC(O)(CC)C(C)(C)CNCc1cnc2ccc(C#N)cn12	ZINC000594969454	398883756	/nfs/dbraw/zinc/88/37/56/398883756.db2.gz	ZKGFBHUDLVBMTD-UHFFFAOYSA-N	0	3	314.433	2.873	20	30		DFEDHN
Cn1nnc2cc(CNC(C)(C)c3cccc(C#N)c3)ccc21	ZINC000594969394	398883941	/nfs/dbraw/zinc/88/39/41/398883941.db2.gz	QKCXRHNNLRGETO-UHFFFAOYSA-N	0	3	305.385	2.865	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NC(=O)C2Oc3ccccc3O[C@H]2C)n1	ZINC000598854403	398884565	/nfs/dbraw/zinc/88/45/65/398884565.db2.gz	RNVBIPOQWDUDNM-BLLLJJGKSA-N	0	3	323.352	2.737	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc(C#N)cc2F)cn1	ZINC000594977919	398885406	/nfs/dbraw/zinc/88/54/06/398885406.db2.gz	CLSKVBLNZJOTJR-MAUKXSAKSA-N	0	3	312.392	2.932	20	30		DFEDHN
COc1cc(CNC[C@H]2CCN2Cc2ccccc2)ccc1C#N	ZINC000594997781	398888880	/nfs/dbraw/zinc/88/88/80/398888880.db2.gz	CKSIGWOCEPYAKN-LJQANCHMSA-N	0	3	321.424	2.931	20	30		DFEDHN
C#CCSCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000181098016	199252234	/nfs/dbraw/zinc/25/22/34/199252234.db2.gz	LKGSAZOSELLJLE-LBPRGKRZSA-N	0	3	306.431	2.671	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N1CC[C@@H](N2CCCCC2)C1	ZINC000077218847	398889784	/nfs/dbraw/zinc/88/97/84/398889784.db2.gz	ZCJFEROSNDQNAF-CQSZACIVSA-N	0	3	307.401	2.566	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N1CCc2nccc(N)c2C1	ZINC000598941356	398894881	/nfs/dbraw/zinc/89/48/81/398894881.db2.gz	CRWVYUMYZZIESH-UHFFFAOYSA-N	0	3	319.290	2.512	20	30		DFEDHN
Cc1cc(NC(=O)C2CCN(Cc3ccc(C#N)cc3)CC2)no1	ZINC000054359637	398897492	/nfs/dbraw/zinc/89/74/92/398897492.db2.gz	SLXFZSABPUXZFL-UHFFFAOYSA-N	0	3	324.384	2.705	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNC2(c3ccccc3)CC2)cc1	ZINC000077377966	398900702	/nfs/dbraw/zinc/90/07/02/398900702.db2.gz	TVNSSNXYHKTWCZ-QGZVFWFLSA-N	0	3	308.381	2.577	20	30		DFEDHN
Cc1cccc2c1C[C@H](NCc1cnc3ccc(C#N)cn13)CO2	ZINC000598987210	398903527	/nfs/dbraw/zinc/90/35/27/398903527.db2.gz	PSDARNCRWSFTLO-HNNXBMFYSA-N	0	3	318.380	2.608	20	30		DFEDHN
Cc1cc(C#N)nc(NC2CCN(Cc3ccccc3)CC2)n1	ZINC000281052905	216048203	/nfs/dbraw/zinc/04/82/03/216048203.db2.gz	XLGPSNQZDOEXOZ-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000599073591	398917033	/nfs/dbraw/zinc/91/70/33/398917033.db2.gz	LLJJAMIWEHYNPP-OAHLLOKOSA-N	0	3	306.454	2.632	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H](O)C1	ZINC000595296904	398918458	/nfs/dbraw/zinc/91/84/58/398918458.db2.gz	NQYWNUSCLQVQIF-QZTJIDSGSA-N	0	3	302.418	2.558	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(C#N)cc1	ZINC000599083945	398918954	/nfs/dbraw/zinc/91/89/54/398918954.db2.gz	PFTKXXXPNIREPG-XZOAIXRZSA-N	0	3	309.369	2.840	20	30		DFEDHN
Cc1nc(C[C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)no1	ZINC000595309446	398920451	/nfs/dbraw/zinc/92/04/51/398920451.db2.gz	SSMWAGVOXVQHRN-KRWDZBQOSA-N	0	3	310.401	2.747	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000599096824	398920701	/nfs/dbraw/zinc/92/07/01/398920701.db2.gz	WSNOLKQACOECFZ-HNNXBMFYSA-N	0	3	311.495	2.612	20	30		DFEDHN
CN([C@@H](C#N)c1ccccc1)C1CCN(CCn2cccn2)CC1	ZINC000595310010	398921042	/nfs/dbraw/zinc/92/10/42/398921042.db2.gz	QIJBEFWOQYCMOI-IBGZPJMESA-N	0	3	323.444	2.544	20	30		DFEDHN
N#Cc1ccc(CCN2CCC(N3CCCCC3=O)CC2)cc1	ZINC000595344917	398925061	/nfs/dbraw/zinc/92/50/61/398925061.db2.gz	KYRWEFHMLQXLBA-UHFFFAOYSA-N	0	3	311.429	2.578	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](c2ccc(OC)cc2)C2CC2)C1=O	ZINC000282078705	334989348	/nfs/dbraw/zinc/98/93/48/334989348.db2.gz	UFMQXEJVLWIMJI-DLBZAZTESA-N	0	3	300.402	2.523	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000595463841	398943756	/nfs/dbraw/zinc/94/37/56/398943756.db2.gz	AROBPUNNULZSGZ-LSDHHAIUSA-N	0	3	312.335	2.736	20	30		DFEDHN
Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1C#N	ZINC000599268005	398944727	/nfs/dbraw/zinc/94/47/27/398944727.db2.gz	VYWXSLNHZHNGDF-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
COc1cccc([C@@H]2C[C@@H](O)CN2CCc2ccc(C#N)cc2)c1	ZINC000595472169	398945653	/nfs/dbraw/zinc/94/56/53/398945653.db2.gz	JCMGHCKEYBGSSF-QUCCMNQESA-N	0	3	322.408	2.917	20	30		DFEDHN
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1(C#N)CC1	ZINC000599271237	398945969	/nfs/dbraw/zinc/94/59/69/398945969.db2.gz	VRSQPYUUBXQTFL-MRXNPFEDSA-N	0	3	317.389	2.860	20	30		DFEDHN
CC(C)N(CCOC1CCOCC1)Cc1ccc(C#N)cc1	ZINC000599274269	398946689	/nfs/dbraw/zinc/94/66/89/398946689.db2.gz	PBYLFZBPWVAAIE-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599278235	398947503	/nfs/dbraw/zinc/94/75/03/398947503.db2.gz	ZOYJEHIPWITGEE-KRWDZBQOSA-N	0	3	313.445	2.995	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)o1	ZINC000599294274	398948921	/nfs/dbraw/zinc/94/89/21/398948921.db2.gz	DVWGLPKXAPUUMS-HOTGVXAUSA-N	0	3	318.417	2.796	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000595492866	398949839	/nfs/dbraw/zinc/94/98/39/398949839.db2.gz	OLHAWKOSJKILAN-LSDHHAIUSA-N	0	3	312.335	2.593	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000272007552	209378795	/nfs/dbraw/zinc/37/87/95/209378795.db2.gz	PKXSADFOHWICRV-KBXCAEBGSA-N	0	3	322.412	2.527	20	30		DFEDHN
N#Cc1ccc(CNC2(CCO)CCCC2)c(OC(F)F)c1	ZINC000595508073	398953031	/nfs/dbraw/zinc/95/30/31/398953031.db2.gz	GIWOHKQFFDJGGH-UHFFFAOYSA-N	0	3	310.344	2.944	20	30		DFEDHN
C#CCCN1CCN(CCCOc2ccc(C)c(C)c2)CC1	ZINC000271953766	209339052	/nfs/dbraw/zinc/33/90/52/209339052.db2.gz	BOHVCIDZCDWDDM-UHFFFAOYSA-N	0	3	300.446	2.713	20	30		DFEDHN
Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1C#N	ZINC000599337893	398956513	/nfs/dbraw/zinc/95/65/13/398956513.db2.gz	KZPKTYISOQSSAS-QGZVFWFLSA-N	0	3	314.429	2.884	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC(C)CC1	ZINC000595545914	398964793	/nfs/dbraw/zinc/96/47/93/398964793.db2.gz	BABAALJMVHSSPJ-INIZCTEOSA-N	0	3	320.481	2.880	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)c1c[nH]cn1)C(C)C	ZINC000621534792	398966207	/nfs/dbraw/zinc/96/62/07/398966207.db2.gz	ODPCGVPGSFRJDY-OAHLLOKOSA-N	0	3	318.465	2.502	20	30		DFEDHN
C=CCCOCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000604713563	398966735	/nfs/dbraw/zinc/96/67/35/398966735.db2.gz	HVNIVDPTZSTSPH-MRXNPFEDSA-N	0	3	316.445	2.921	20	30		DFEDHN
CN(C)c1ccc([C@@H]2CCCN2CCc2ccc(C#N)cc2)nn1	ZINC000595555073	398968511	/nfs/dbraw/zinc/96/85/11/398968511.db2.gz	YEVPGHKJYWMICN-SFHVURJKSA-N	0	3	321.428	2.794	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H](CO)[C@@H](C)c1ccccc1	ZINC000613389396	398968830	/nfs/dbraw/zinc/96/88/30/398968830.db2.gz	MIWROAKCZOMBJP-KSSFIOAISA-N	0	3	310.397	2.821	20	30		DFEDHN
CCc1nc(CCNCc2ccc(C#N)c(OC)c2)cs1	ZINC000281451682	216309153	/nfs/dbraw/zinc/30/91/53/216309153.db2.gz	AILNRWLXLLGDOZ-UHFFFAOYSA-N	0	3	301.415	2.918	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)cc1	ZINC000056502911	398974765	/nfs/dbraw/zinc/97/47/65/398974765.db2.gz	ICOOFPJJWOFRAY-UONOGXRCSA-N	0	3	300.406	2.800	20	30		DFEDHN
Cc1ccc(CN2CCC(N3CCOC[C@H]3C)CC2)cc1C#N	ZINC000599424483	398978190	/nfs/dbraw/zinc/97/81/90/398978190.db2.gz	RBLGYYHDOVTPQZ-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C#N	ZINC000599431790	398980682	/nfs/dbraw/zinc/98/06/82/398980682.db2.gz	FNZQHYJSINCOAK-INIZCTEOSA-N	0	3	313.445	2.980	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)NCc1cccc(C#N)c1	ZINC000275702861	212491545	/nfs/dbraw/zinc/49/15/45/212491545.db2.gz	SWBGHFYIXSSPII-UHFFFAOYSA-N	0	3	322.412	2.984	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000056623785	398982872	/nfs/dbraw/zinc/98/28/72/398982872.db2.gz	FXSVNTKTLJUHOL-OAHLLOKOSA-N	0	3	307.463	2.796	20	30		DFEDHN
CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1	ZINC000595588638	398986899	/nfs/dbraw/zinc/98/68/99/398986899.db2.gz	OSAUGSFFFJDXRZ-GDBMZVCRSA-N	0	3	302.422	2.653	20	30		DFEDHN
Cc1ccccc1C1(NC[C@H](O)COc2ccccc2C#N)CC1	ZINC000599455306	398988175	/nfs/dbraw/zinc/98/81/75/398988175.db2.gz	LSUZDGFDEHOWKT-KRWDZBQOSA-N	0	3	322.408	2.885	20	30		DFEDHN
COC(=O)Cc1ccc(CNCc2cc(C#N)cs2)cc1	ZINC000600188592	398995943	/nfs/dbraw/zinc/99/59/43/398995943.db2.gz	YOWUBPSADLCCFL-UHFFFAOYSA-N	0	3	300.383	2.625	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000595610289	398996793	/nfs/dbraw/zinc/99/67/93/398996793.db2.gz	VSPGUVHPZLVJLE-KGLIPLIRSA-N	0	3	308.809	2.705	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cc(C(=O)OC)cc(C(=O)OC)c2)C1	ZINC000599530348	399004040	/nfs/dbraw/zinc/00/40/40/399004040.db2.gz	UUODAKIBMPJFDV-ZDUSSCGKSA-N	0	3	317.385	2.658	20	30		DFEDHN
C=CCCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1	ZINC000605150939	399003611	/nfs/dbraw/zinc/00/36/11/399003611.db2.gz	HVGMWWCQMMERCP-QGZVFWFLSA-N	0	3	308.853	2.957	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1N[C@H]1CCC[C@H](C#N)C1	ZINC000600205187	399004195	/nfs/dbraw/zinc/00/41/95/399004195.db2.gz	UNLIERKUMBUOGR-LJIGWXMPSA-N	0	3	302.422	2.966	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(CC#N)cc2)n1	ZINC000599541950	399007338	/nfs/dbraw/zinc/00/73/38/399007338.db2.gz	SUJOWUFIHSALMX-SFHVURJKSA-N	0	3	309.417	2.626	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H](CC)CN2CCCC2)cc1	ZINC000605373361	399014126	/nfs/dbraw/zinc/01/41/26/399014126.db2.gz	RLCSPZFRJYPVEQ-INIZCTEOSA-N	0	3	302.418	2.856	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000595639932	399014967	/nfs/dbraw/zinc/01/49/67/399014967.db2.gz	DWLYZAORHWCFIN-SJORKVTESA-N	0	3	320.481	2.832	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1	ZINC000057138812	399017590	/nfs/dbraw/zinc/01/75/90/399017590.db2.gz	GVLDXQGQKIOJJY-UHFFFAOYSA-N	0	3	324.346	2.667	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccsc1	ZINC000079251067	399028603	/nfs/dbraw/zinc/02/86/03/399028603.db2.gz	KSQAPLJLNJGOGC-DZGCQCFKSA-N	0	3	322.478	2.932	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccccc1	ZINC000079224014	399026744	/nfs/dbraw/zinc/02/67/44/399026744.db2.gz	IHMGNUUMOPCXDV-DOTOQJQBSA-N	0	3	316.449	2.871	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1cccc(C)c1)C(C)C	ZINC000599627751	399033148	/nfs/dbraw/zinc/03/31/48/399033148.db2.gz	NMNSPVNJUYTJOW-ZBFHGGJFSA-N	0	3	317.433	2.682	20	30		DFEDHN
C[C@H](CN(C)CC(=O)N(CCC#N)CCC#N)C1CCCCC1	ZINC000599633649	399035690	/nfs/dbraw/zinc/03/56/90/399035690.db2.gz	ZUEGGQLLRNUTDH-MRXNPFEDSA-N	0	3	318.465	2.791	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2nc(C)no2)C1	ZINC000091832977	193114624	/nfs/dbraw/zinc/11/46/24/193114624.db2.gz	MTIXHDHHBQAKMH-MRXNPFEDSA-N	0	3	311.385	2.770	20	30		DFEDHN
C=CCC1(NC(=O)c2cccc(CN(C)C)c2)CCOCC1	ZINC000618247854	399050276	/nfs/dbraw/zinc/05/02/76/399050276.db2.gz	MINHXJAVPINOGN-UHFFFAOYSA-N	0	3	302.418	2.603	20	30		DFEDHN
CC(C)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725052	399055353	/nfs/dbraw/zinc/05/53/53/399055353.db2.gz	ADPYKSMCSHZJDB-UHFFFAOYSA-N	0	3	309.417	2.726	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000595732241	399062083	/nfs/dbraw/zinc/06/20/83/399062083.db2.gz	DRPGUHPMYDHNQH-SJLPKXTDSA-N	0	3	305.466	2.943	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000595739863	399064683	/nfs/dbraw/zinc/06/46/83/399064683.db2.gz	RDLQSZWYMIQQQA-WBVHZDCISA-N	0	3	305.466	2.897	20	30		DFEDHN
C/C=C\C[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000599692785	399067821	/nfs/dbraw/zinc/06/78/21/399067821.db2.gz	XNJPDCYHNGWOTR-YPQKKHBXSA-N	0	3	311.429	2.853	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC(C)(C)CC(C)(C)C1)C1CC1	ZINC000595752287	399070971	/nfs/dbraw/zinc/07/09/71/399070971.db2.gz	WIUPOBJMCSVLBU-SFHVURJKSA-N	0	3	305.466	2.943	20	30		DFEDHN
CN(CCC#N)C(=O)CCN(Cc1ccccc1F)CC1CC1	ZINC000595767011	399076201	/nfs/dbraw/zinc/07/62/01/399076201.db2.gz	LASGQTYQTHOISU-UHFFFAOYSA-N	0	3	317.408	2.800	20	30		DFEDHN
CCC[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000079790215	399084993	/nfs/dbraw/zinc/08/49/93/399084993.db2.gz	KGFMEHUPPTVTLA-ROUUACIJSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182823303	335003645	/nfs/dbraw/zinc/00/36/45/335003645.db2.gz	UJZVNKGHPSQCFI-QWHCGFSZSA-N	0	3	317.355	2.866	20	30		DFEDHN
CCN(C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)C#N	ZINC000595819487	399098343	/nfs/dbraw/zinc/09/83/43/399098343.db2.gz	BPDNNAIFALRGLY-FUHWJXTLSA-N	0	3	301.434	2.511	20	30		DFEDHN
COc1cc(NC(=O)N(CCN(C)C)C(C)C)c(F)cc1C#N	ZINC000599814716	399097914	/nfs/dbraw/zinc/09/79/14/399097914.db2.gz	JUCNRQSHAPOUOV-UHFFFAOYSA-N	0	3	322.384	2.510	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(=O)NC1CCCCC1	ZINC000595844182	399111300	/nfs/dbraw/zinc/11/13/00/399111300.db2.gz	BOXAXDVKLYZMKG-BMFZPTHFSA-N	0	3	319.449	2.716	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(C(C)C)[C@@H](CC)c1ccccc1	ZINC000595857722	399114761	/nfs/dbraw/zinc/11/47/61/399114761.db2.gz	RGNBWWDYQZFXFT-INIZCTEOSA-N	0	3	317.433	2.860	20	30		DFEDHN
CCCC(=O)Nc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1	ZINC000600717550	399123103	/nfs/dbraw/zinc/12/31/03/399123103.db2.gz	QTCBYSRCUKMXRQ-INIZCTEOSA-N	0	3	315.417	2.570	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@@H]2NC[C@H](O)CC1(C#N)CC1	ZINC000600721484	399124571	/nfs/dbraw/zinc/12/45/71/399124571.db2.gz	MQLXFRKTWFJJAD-HIFRSBDPSA-N	0	3	316.449	2.660	20	30		DFEDHN
CC(C)COc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1	ZINC000600721047	399124326	/nfs/dbraw/zinc/12/43/26/399124326.db2.gz	KGLBTYCNRUSCGN-MRXNPFEDSA-N	0	3	302.418	2.866	20	30		DFEDHN
CO[C@H](CNC[C@H](O)CC1(C#N)CC1)c1ccccc1Cl	ZINC000600728677	399126996	/nfs/dbraw/zinc/12/69/96/399126996.db2.gz	AZJZBLHWTTZCJR-IUODEOHRSA-N	0	3	308.809	2.672	20	30		DFEDHN
CCCCCn1cc(CNC[C@H](O)CC2(C#N)CC2)c(C)n1	ZINC000600732640	399129100	/nfs/dbraw/zinc/12/91/00/399129100.db2.gz	TUZKWYIQYPSZNZ-MRXNPFEDSA-N	0	3	304.438	2.526	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2nccnc2C#N)CCN1Cc1ccccc1	ZINC000080231206	399129140	/nfs/dbraw/zinc/12/91/40/399129140.db2.gz	GLIKVCCVBDQXIC-HOCLYGCPSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=CCC[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1	ZINC000180036380	399132311	/nfs/dbraw/zinc/13/23/11/399132311.db2.gz	IQTFKZIGGXEMQX-MRXNPFEDSA-N	0	3	308.385	2.820	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000600749700	399134956	/nfs/dbraw/zinc/13/49/56/399134956.db2.gz	YJKBHMUEWBOCAH-PRHODGIISA-N	0	3	301.173	2.693	20	30		DFEDHN
C[C@]1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCCS1	ZINC000600108006	399137510	/nfs/dbraw/zinc/13/75/10/399137510.db2.gz	NPGRUAADMNHBHO-GOSISDBHSA-N	0	3	315.486	2.962	20	30		DFEDHN
C[C@H](C(=O)NCCc1ccc(C#N)cc1)[C@H](N)c1ccccc1	ZINC000595937227	399139843	/nfs/dbraw/zinc/13/98/43/399139843.db2.gz	FMVHNFNAUKTYPO-KSSFIOAISA-N	0	3	307.397	2.553	20	30		DFEDHN
C[C@@H](C(=O)NCCc1ccc(C#N)cc1)[C@@H](N)c1ccccc1	ZINC000595937228	399139674	/nfs/dbraw/zinc/13/96/74/399139674.db2.gz	FMVHNFNAUKTYPO-RDTXWAMCSA-N	0	3	307.397	2.553	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)[C@@H](C1CC1)N1CCCC1)C2	ZINC000600784037	399144491	/nfs/dbraw/zinc/14/44/91/399144491.db2.gz	IWRHQJVBIMETPH-LJQANCHMSA-N	0	3	323.440	2.512	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000134926845	335014487	/nfs/dbraw/zinc/01/44/87/335014487.db2.gz	VKHAIUGAASBWOC-FUHWJXTLSA-N	0	3	316.445	2.748	20	30		DFEDHN
Cc1cc(N2CC[C@@H](F)[C@H](N)C2)n2c3ccccc3nc2c1C#N	ZINC000596030421	399151995	/nfs/dbraw/zinc/15/19/95/399151995.db2.gz	YZHHBHWCVPXKFV-ZIAGYGMSSA-N	0	3	323.375	2.543	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2ccccc2C)C2CC2)CC1	ZINC000264897970	204249358	/nfs/dbraw/zinc/24/93/58/204249358.db2.gz	ZRCIPYXHKIBQBG-LJQANCHMSA-N	0	3	310.441	2.908	20	30		DFEDHN
C#CCN(CC)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000264968596	204309733	/nfs/dbraw/zinc/30/97/33/204309733.db2.gz	CIGBBCBNCRRFOA-HNNXBMFYSA-N	0	3	301.434	2.781	20	30		DFEDHN
COCCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C	ZINC000614165780	399166603	/nfs/dbraw/zinc/16/66/03/399166603.db2.gz	MQGAXHWCTUNSFO-MRXNPFEDSA-N	0	3	315.461	2.640	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2c(C#N)cnn2C)CC1	ZINC000596082801	399166742	/nfs/dbraw/zinc/16/67/42/399166742.db2.gz	MXOORBWLHJPDLZ-UHFFFAOYSA-N	0	3	309.417	2.677	20	30		DFEDHN
COCCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C	ZINC000614165779	399166965	/nfs/dbraw/zinc/16/69/65/399166965.db2.gz	MQGAXHWCTUNSFO-INIZCTEOSA-N	0	3	315.461	2.640	20	30		DFEDHN
COC(=O)[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614166421	399168087	/nfs/dbraw/zinc/16/80/87/399168087.db2.gz	HJCXPSGNAWKAMH-OAHLLOKOSA-N	0	3	300.402	2.873	20	30		DFEDHN
CC(=O)N1CC[C@H](NCc2ccc(Cl)cc2C#N)[C@@H](C)C1	ZINC000614204484	399174833	/nfs/dbraw/zinc/17/48/33/399174833.db2.gz	RLHCHZGRQDYKEF-ZBEGNZNMSA-N	0	3	305.809	2.558	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3ncccc3cc2C#N)CC1	ZINC000596116735	399179487	/nfs/dbraw/zinc/17/94/87/399179487.db2.gz	VYVJZYXJIWPGEC-UHFFFAOYSA-N	0	3	307.401	2.954	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1cc(C#N)cnn1	ZINC000596158374	399196115	/nfs/dbraw/zinc/19/61/15/399196115.db2.gz	WKTGSYWPACXTIE-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000266370062	205298840	/nfs/dbraw/zinc/29/88/40/205298840.db2.gz	BVQWUXUOHAIUKE-DZGCQCFKSA-N	0	3	300.406	2.813	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000614326859	399207558	/nfs/dbraw/zinc/20/75/58/399207558.db2.gz	UNDNDIDRYBEUJI-DLBZAZTESA-N	0	3	302.418	2.771	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)ccc1C#N	ZINC000282971439	217360081	/nfs/dbraw/zinc/36/00/81/217360081.db2.gz	IPWKVBDRKLISJN-MRXNPFEDSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](c3cc(C)n[nH]3)C2)ccc1C#N	ZINC000282971439	217360084	/nfs/dbraw/zinc/36/00/84/217360084.db2.gz	IPWKVBDRKLISJN-MRXNPFEDSA-N	0	3	310.401	2.978	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2CC#Cc2ccccc2)C[C@H](C)O1	ZINC000191964990	335020233	/nfs/dbraw/zinc/02/02/33/335020233.db2.gz	RRBSEVSWYYVGFE-NSHGMRRFSA-N	0	3	312.457	2.612	20	30		DFEDHN
C=CCCCN1CC[C@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000607967296	399217910	/nfs/dbraw/zinc/21/79/10/399217910.db2.gz	ZWVJJHSADGFDHH-HNNXBMFYSA-N	0	3	320.437	2.582	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](CC)c2ccc(OC)c(OC)c2)C1=O	ZINC000285256994	335022401	/nfs/dbraw/zinc/02/24/01/335022401.db2.gz	XCZZTSHLUFZKRA-HUUCEWRRSA-N	0	3	318.417	2.531	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(O[C@H]2CCOC2)CC1	ZINC000614401986	399225787	/nfs/dbraw/zinc/22/57/87/399225787.db2.gz	GOEYKKGQNNOLFZ-SFHVURJKSA-N	0	3	300.402	2.637	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000614400962	399226309	/nfs/dbraw/zinc/22/63/09/399226309.db2.gz	RYCARRLOPZWCSF-SFHVURJKSA-N	0	3	311.429	2.701	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(OC[C@@H]2CCOC2)CC1	ZINC000614403453	399226871	/nfs/dbraw/zinc/22/68/71/399226871.db2.gz	ZDPFPVKUVJIDGV-QGZVFWFLSA-N	0	3	314.429	2.884	20	30		DFEDHN
CN1CCC(n2cc(NCc3ccc(C#N)cc3F)cn2)CC1	ZINC000601149786	399241827	/nfs/dbraw/zinc/24/18/27/399241827.db2.gz	PKWLYKJAIHUHKJ-UHFFFAOYSA-N	0	3	313.380	2.773	20	30		DFEDHN
COc1cc(CNCc2cccc3c2CCOC3)ccc1C#N	ZINC000601156135	399243408	/nfs/dbraw/zinc/24/34/08/399243408.db2.gz	RVAXDVWZKWYTGN-UHFFFAOYSA-N	0	3	308.381	2.929	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192158499	335026749	/nfs/dbraw/zinc/02/67/49/335026749.db2.gz	DLHHOLXXCBWBMZ-HLLBOEOZSA-N	0	3	322.836	2.529	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192158493	335026757	/nfs/dbraw/zinc/02/67/57/335026757.db2.gz	DLHHOLXXCBWBMZ-INMHGKMJSA-N	0	3	322.836	2.529	20	30		DFEDHN
C#CCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1	ZINC000192158859	335026819	/nfs/dbraw/zinc/02/68/19/335026819.db2.gz	XDRSUYJMVVXGDN-UHFFFAOYSA-N	0	3	314.429	2.633	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccnc1C)C(C)C	ZINC000285761476	335029024	/nfs/dbraw/zinc/02/90/24/335029024.db2.gz	ZJSWJFPZILQFHV-SFHVURJKSA-N	0	3	315.461	2.747	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1	ZINC000285963393	335030152	/nfs/dbraw/zinc/03/01/52/335030152.db2.gz	OGFBVSSRBALZBA-UHFFFAOYSA-N	0	3	314.429	2.742	20	30		DFEDHN
C=CCC[C@H](NC1CCN(C(=O)CCOC)CC1)c1ccco1	ZINC000286195515	335030650	/nfs/dbraw/zinc/03/06/50/335030650.db2.gz	RAEARUMDUPKVKJ-INIZCTEOSA-N	0	3	320.433	2.904	20	30		DFEDHN
C=CCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000286852155	335036984	/nfs/dbraw/zinc/03/69/84/335036984.db2.gz	AOTSIRMSPYYCNU-MRXNPFEDSA-N	0	3	305.422	2.562	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccnc(N3CCSCC3)c2)C1	ZINC000601302038	399273701	/nfs/dbraw/zinc/27/37/01/399273701.db2.gz	DCGUGEYQVZVHSO-GDBMZVCRSA-N	0	3	316.474	2.807	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccnc(N3CCSCC3)c2)C1	ZINC000601302041	399273789	/nfs/dbraw/zinc/27/37/89/399273789.db2.gz	DCGUGEYQVZVHSO-ZBFHGGJFSA-N	0	3	316.474	2.807	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCOCC1	ZINC000618994731	399274868	/nfs/dbraw/zinc/27/48/68/399274868.db2.gz	BBJUHJUYZFUEBQ-INIZCTEOSA-N	0	3	308.466	2.596	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@H]2CCc3nccn3C2)c1	ZINC000608861112	399298820	/nfs/dbraw/zinc/29/88/20/399298820.db2.gz	UHGPMBVNBAJXLK-INIZCTEOSA-N	0	3	310.401	2.670	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2cc3ccccc3n2CC#N)CCC1	ZINC000615059304	399296464	/nfs/dbraw/zinc/29/64/64/399296464.db2.gz	USDSRDMXNNXZNV-UHFFFAOYSA-N	0	3	324.428	2.721	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H]3C3CC3)C2=O)cc1	ZINC000619157561	399304435	/nfs/dbraw/zinc/30/44/35/399304435.db2.gz	GAOMONSXASZMDU-QZTJIDSGSA-N	0	3	309.413	2.928	20	30		DFEDHN
C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc(C(C)C)cc1	ZINC000609358620	399315533	/nfs/dbraw/zinc/31/55/33/399315533.db2.gz	NQTJFEVULUJZQJ-UHFFFAOYSA-N	0	3	317.433	2.647	20	30		DFEDHN
CC(C)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1	ZINC000619291307	399325511	/nfs/dbraw/zinc/32/55/11/399325511.db2.gz	JCDJZSJQFNUBIE-HNNXBMFYSA-N	0	3	322.368	2.668	20	30		DFEDHN
COCC1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601768562	399332722	/nfs/dbraw/zinc/33/27/22/399332722.db2.gz	QABHGTNWDDRTSC-MRXNPFEDSA-N	0	3	312.413	2.644	20	30		DFEDHN
C=CCCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000609800256	399331769	/nfs/dbraw/zinc/33/17/69/399331769.db2.gz	WZFQLUOBMXXWMB-OAHLLOKOSA-N	0	3	302.418	2.950	20	30		DFEDHN
Cc1ccncc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619384951	399336184	/nfs/dbraw/zinc/33/61/84/399336184.db2.gz	HJEFZBOZAUWPOT-RHSMWYFYSA-N	0	3	318.380	2.821	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	ZINC000609921204	399336483	/nfs/dbraw/zinc/33/64/83/399336483.db2.gz	YABRKTIVBPGFEM-CSMHCCOUSA-N	0	3	302.218	2.735	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000609921494	399336613	/nfs/dbraw/zinc/33/66/13/399336613.db2.gz	BWTGKKRDHANJMQ-ZYHUDNBSSA-N	0	3	311.307	2.560	20	30		DFEDHN
CC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)n1	ZINC000615446233	399338029	/nfs/dbraw/zinc/33/80/29/399338029.db2.gz	NVNPPVKPSXLNKT-DYVFJYSZSA-N	0	3	323.400	2.721	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCOC1	ZINC000274044325	211301868	/nfs/dbraw/zinc/30/18/68/211301868.db2.gz	OSXXKWAPEUETGG-KBPBESRZSA-N	0	3	320.458	2.918	20	30		DFEDHN
Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)nc1	ZINC000619415359	399342087	/nfs/dbraw/zinc/34/20/87/399342087.db2.gz	QNAQIIXLIZNRDE-QGZVFWFLSA-N	0	3	318.380	2.603	20	30		DFEDHN
N#Cc1cnc2c(F)ccc(F)c2c1N1CCN2CCC[C@@H]2C1	ZINC000610249937	399350273	/nfs/dbraw/zinc/35/02/73/399350273.db2.gz	FALYHVGINFITLE-GFCCVEGCSA-N	0	3	314.339	2.669	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC[C@H](C)C1)c1cccc(C#N)c1	ZINC000610348541	399359036	/nfs/dbraw/zinc/35/90/36/399359036.db2.gz	RIBORZIASGUENP-GJZGRUSLSA-N	0	3	314.433	2.650	20	30		DFEDHN
N#C[C@]1(F)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1	ZINC000615609092	399361245	/nfs/dbraw/zinc/36/12/45/399361245.db2.gz	YACRNNLKEZQABO-GOSISDBHSA-N	0	3	315.392	2.750	20	30		DFEDHN
CCC(C)(C)CCNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000601965888	399370756	/nfs/dbraw/zinc/37/07/56/399370756.db2.gz	BLCQWNKDTFCWQF-UHFFFAOYSA-N	0	3	308.447	2.748	20	30		DFEDHN
COc1cc(CN[C@@H](CO)[C@H](C)c2ccccc2)ccc1C#N	ZINC000619654014	399372189	/nfs/dbraw/zinc/37/21/89/399372189.db2.gz	YVONSMHFHFFUQJ-KDOFPFPSSA-N	0	3	310.397	2.821	20	30		DFEDHN
COc1cc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C#N	ZINC000619653813	399371450	/nfs/dbraw/zinc/37/14/50/399371450.db2.gz	LPYJXSRTEOQYJL-NSHDSACASA-N	0	3	322.368	3.000	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1Br	ZINC000601969833	399371538	/nfs/dbraw/zinc/37/15/38/399371538.db2.gz	FQTFYKUHLHRVKS-CYBMUJFWSA-N	0	3	323.234	2.902	20	30		DFEDHN
COc1cc(CN2CCc3ccc(O)cc3CC2)ccc1C#N	ZINC000619674411	399374591	/nfs/dbraw/zinc/37/45/91/399374591.db2.gz	IMOJFMPSOPUAKX-UHFFFAOYSA-N	0	3	308.381	2.873	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)C1	ZINC000619673445	399374865	/nfs/dbraw/zinc/37/48/65/399374865.db2.gz	KXTBRLPAGMULGF-QPSCCSFWSA-N	0	3	312.335	2.803	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1CCOc1ccc(C#N)cc1	ZINC000610583001	399382204	/nfs/dbraw/zinc/38/22/04/399382204.db2.gz	KKJYQHZKLLDJSU-MSOLQXFVSA-N	0	3	313.445	2.886	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1CCOc1ccccc1C#N	ZINC000610582882	399382867	/nfs/dbraw/zinc/38/28/67/399382867.db2.gz	DTXYMODIAUDPLL-ROUUACIJSA-N	0	3	313.445	2.886	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1cccs1	ZINC000268538158	206785821	/nfs/dbraw/zinc/78/58/21/206785821.db2.gz	YSOLHBXIHDSSHS-NSHDSACASA-N	0	3	317.374	2.638	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000602019815	399385782	/nfs/dbraw/zinc/38/57/82/399385782.db2.gz	IYHAWHDOJFCKLF-MAUKXSAKSA-N	0	3	311.429	2.882	20	30		DFEDHN
CCC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285362721	218397649	/nfs/dbraw/zinc/39/76/49/218397649.db2.gz	BNVOLORCHMRYME-UHFFFAOYSA-N	0	3	304.365	2.910	20	30		DFEDHN
CCN(CCOc1cccc(C#N)c1)CCc1nccs1	ZINC000159345870	197346947	/nfs/dbraw/zinc/34/69/47/197346947.db2.gz	HHMNGDIFYCNMKO-UHFFFAOYSA-N	0	3	301.415	2.958	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1	ZINC000610678521	399392408	/nfs/dbraw/zinc/39/24/08/399392408.db2.gz	SJXQZSDLENLWBN-BDJLRTHQSA-N	0	3	314.820	2.934	20	30		DFEDHN
C=CCOCCN[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21	ZINC000619822852	399394116	/nfs/dbraw/zinc/39/41/16/399394116.db2.gz	SHWSXSISNGVJJZ-DLBZAZTESA-N	0	3	303.402	2.960	20	30		DFEDHN
CN(CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)CC(C)(C)C	ZINC000602095829	399394331	/nfs/dbraw/zinc/39/43/31/399394331.db2.gz	GHUGYAQCYORTHT-AWEZNQCLSA-N	0	3	307.825	2.999	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1	ZINC000056347449	184010983	/nfs/dbraw/zinc/01/09/83/184010983.db2.gz	KVFVOHVGLQCKMW-SFHVURJKSA-N	0	3	322.412	2.853	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)c1C	ZINC000610905967	399416918	/nfs/dbraw/zinc/41/69/18/399416918.db2.gz	BBJZHVFQVZPQKQ-OAHLLOKOSA-N	0	3	300.406	2.863	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000610877524	399415009	/nfs/dbraw/zinc/41/50/09/399415009.db2.gz	LVVQCZDJCFLUKM-IINYFYTJSA-N	0	3	306.797	2.673	20	30		DFEDHN
COc1cccc2c1OC[C@H](NCc1ccc(C#N)cc1F)C2	ZINC000610946836	399420243	/nfs/dbraw/zinc/42/02/43/399420243.db2.gz	FZTXXETXRBIMKC-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC23CC3)CC1	ZINC000623579235	399420857	/nfs/dbraw/zinc/42/08/57/399420857.db2.gz	SIFMQXYZJIWPEN-OAHLLOKOSA-N	0	3	305.466	2.906	20	30		DFEDHN
N#Cc1cc(CN(CCc2ccccc2)[C@H]2CCOC2)ccn1	ZINC000610994493	399426077	/nfs/dbraw/zinc/42/60/77/399426077.db2.gz	IGWZDUIRQKXBDX-IBGZPJMESA-N	0	3	307.397	2.787	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000602346857	399428749	/nfs/dbraw/zinc/42/87/49/399428749.db2.gz	AQSZRYDRZHFDAC-HNNXBMFYSA-N	0	3	306.454	2.585	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000611029193	399428824	/nfs/dbraw/zinc/42/88/24/399428824.db2.gz	XTLAUQRXDBKASV-UHFFFAOYSA-N	0	3	322.412	2.543	20	30		DFEDHN
Cc1cc(C#N)ccc1OC[C@H](O)CN(C)Cc1ccccc1	ZINC000611113529	399434733	/nfs/dbraw/zinc/43/47/33/399434733.db2.gz	TYVGIJQSNVKQEU-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000193284740	335045392	/nfs/dbraw/zinc/04/53/92/335045392.db2.gz	UFRCSTCJQZMKJX-STQMWFEESA-N	0	3	307.390	2.669	20	30		DFEDHN
CCOC(=O)CCN(Cc1cccc(C#N)c1F)CC1CC1	ZINC000611371286	399466653	/nfs/dbraw/zinc/46/66/53/399466653.db2.gz	JEIOYHLOWXJMPI-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
COc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1OC	ZINC000602517598	399466680	/nfs/dbraw/zinc/46/66/80/399466680.db2.gz	HEILHRSKIOEFNX-AWEZNQCLSA-N	0	3	318.417	2.892	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COCc1cccs1)c1cccc(C#N)c1	ZINC000611389040	399468713	/nfs/dbraw/zinc/46/87/13/399468713.db2.gz	PMCLBGBNTKSOBQ-CZUORRHYSA-N	0	3	316.426	2.848	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cccc(C2CCOCC2)c1	ZINC000602547866	399473455	/nfs/dbraw/zinc/47/34/55/399473455.db2.gz	SVCNFYCYHRLSLR-QGZVFWFLSA-N	0	3	315.417	2.930	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CCCN2Cc2ccccc2)n1	ZINC000602548592	399473463	/nfs/dbraw/zinc/47/34/63/399473463.db2.gz	SXLZWLPZKJDSDV-IBGZPJMESA-N	0	3	306.413	2.707	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NCc2cccc(C#N)n2)CC1	ZINC000602574652	399480410	/nfs/dbraw/zinc/48/04/10/399480410.db2.gz	LAUULXJMTACNCB-HNNXBMFYSA-N	0	3	321.428	2.663	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)c1cccc3c1CNC3)C2	ZINC000602573443	399479330	/nfs/dbraw/zinc/47/93/30/399479330.db2.gz	JRGCIDPYULVPGS-UHFFFAOYSA-N	0	3	317.392	2.554	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)n1	ZINC000602574611	399480008	/nfs/dbraw/zinc/48/00/08/399480008.db2.gz	XKGYSEPQHGIYOS-CQSZACIVSA-N	0	3	314.339	2.600	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CCNC1	ZINC000602586487	399483856	/nfs/dbraw/zinc/48/38/56/399483856.db2.gz	RSTAUVMOGHZJRV-PMACEKPBSA-N	0	3	323.440	2.575	20	30		DFEDHN
CC[C@H](NCc1ccc(C#N)cc1F)C1(C(=O)OC)CCC1	ZINC000611524522	399488195	/nfs/dbraw/zinc/48/81/95/399488195.db2.gz	NQCFWLDIDDEJHZ-HNNXBMFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
Cn1c(CCNCc2cccc(C#N)c2)nc2c1cccc2F	ZINC000113358677	194583376	/nfs/dbraw/zinc/58/33/76/194583376.db2.gz	DORSLSLZMRLDIK-UHFFFAOYSA-N	0	3	308.360	2.916	20	30		DFEDHN
C[C@H](O)[C@](C)(CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602632399	399497296	/nfs/dbraw/zinc/49/72/96/399497296.db2.gz	SVVGBGLCFKAKGM-KXBFYZLASA-N	0	3	309.413	2.673	20	30		DFEDHN
N#CCN1CCC(N[C@@H]2CCCOc3cc(F)ccc32)CC1	ZINC000611621846	399500041	/nfs/dbraw/zinc/50/00/41/399500041.db2.gz	IEEUYHZQGNPLSN-MRXNPFEDSA-N	0	3	303.381	2.617	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccccc1	ZINC000611623018	399500410	/nfs/dbraw/zinc/50/04/10/399500410.db2.gz	VXFGSPTZCUSROA-MRXNPFEDSA-N	0	3	316.449	2.918	20	30		DFEDHN
CN(C)CCN(Cc1cc(C2CC2)no1)Cc1ccc(C#N)cc1	ZINC000602659210	399506257	/nfs/dbraw/zinc/50/62/57/399506257.db2.gz	JYGMFVDNBZVWHM-UHFFFAOYSA-N	0	3	324.428	2.987	20	30		DFEDHN
C[C@H](CCC#N)CN(Cc1ccc(C(N)=O)cc1F)C1CC1	ZINC000602670192	399512403	/nfs/dbraw/zinc/51/24/03/399512403.db2.gz	BXHCDLQWAFLCJH-GFCCVEGCSA-N	0	3	303.381	2.829	20	30		DFEDHN
CCn1ccc(CN(C)CCC(=O)Nc2sccc2C#N)c1	ZINC000616786154	399512745	/nfs/dbraw/zinc/51/27/45/399512745.db2.gz	MFQNOMKGVPNKPF-UHFFFAOYSA-N	0	3	316.430	2.902	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H]2Cn2cnc3ccccc32)n1	ZINC000602668469	399512572	/nfs/dbraw/zinc/51/25/72/399512572.db2.gz	VGXJMUAQGDRNKC-KRWDZBQOSA-N	0	3	317.396	2.968	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000193417615	335048331	/nfs/dbraw/zinc/04/83/31/335048331.db2.gz	NASHLNLWMWUBGR-GOSISDBHSA-N	0	3	312.413	2.939	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)c1cccc(C#N)n1	ZINC000270086577	208143408	/nfs/dbraw/zinc/14/34/08/208143408.db2.gz	WIPHGXWJPIYGLQ-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
N#Cc1cc(F)cc(NC2CCN(C[C@H]3CCCO3)CC2)c1	ZINC000602725985	399541850	/nfs/dbraw/zinc/54/18/50/399541850.db2.gz	SLXVGOCMORKWQH-QGZVFWFLSA-N	0	3	303.381	2.753	20	30		DFEDHN
C=C(C)C[C@@H](NC1CCN(Cc2ccccc2)CC1)C(=O)OC	ZINC000602733329	399546720	/nfs/dbraw/zinc/54/67/20/399546720.db2.gz	HFVGHBHRVLIHER-GOSISDBHSA-N	0	3	316.445	2.748	20	30		DFEDHN
CC(C)CO[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000120196179	195116490	/nfs/dbraw/zinc/11/64/90/195116490.db2.gz	OGTSJTOCJINZIS-QGZVFWFLSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000629278853	399560584	/nfs/dbraw/zinc/56/05/84/399560584.db2.gz	AJJLFWUPTPCYAY-IXDOHACOSA-N	0	3	306.450	2.513	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CC(C)(C)O	ZINC000158165393	197249692	/nfs/dbraw/zinc/24/96/92/197249692.db2.gz	BFHXQHMAGIXSOY-AWEZNQCLSA-N	0	3	324.490	2.744	20	30		DFEDHN
C=CCC(CC=C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000629321322	399571860	/nfs/dbraw/zinc/57/18/60/399571860.db2.gz	HKQYKSOYLTWGCV-OKZBNKHCSA-N	0	3	320.477	2.855	20	30		DFEDHN
Cc1cnc(CCN(C)C[C@@H](O)c2ccc(C#N)cc2)s1	ZINC000157610484	197201503	/nfs/dbraw/zinc/20/15/03/197201503.db2.gz	GWYUVRAMKFKACY-OAHLLOKOSA-N	0	3	301.415	2.531	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1	ZINC000617019338	399577539	/nfs/dbraw/zinc/57/75/39/399577539.db2.gz	KKOULIZTAVFZIE-OAHLLOKOSA-N	0	3	302.418	2.854	20	30		DFEDHN
N#CCC1(CN[C@H](CO)c2cccc(Br)c2)CC1	ZINC000602807281	399584229	/nfs/dbraw/zinc/58/42/29/399584229.db2.gz	RKEIKRFZJGXBCS-CYBMUJFWSA-N	0	3	309.207	2.766	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cn(CC)nc1C)C(C)C	ZINC000625556239	399585671	/nfs/dbraw/zinc/58/56/71/399585671.db2.gz	CUSHIZXKXGJGTN-KRWDZBQOSA-N	0	3	318.465	2.640	20	30		DFEDHN
N#CC1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000157169527	197167461	/nfs/dbraw/zinc/16/74/61/197167461.db2.gz	UEQCXKKWIMWNJM-OAHLLOKOSA-N	0	3	312.335	2.844	20	30		DFEDHN
C[C@@H]1CN(CCCOCCc2ccccc2)C[C@@H](C)N1CC#N	ZINC000602854539	399602938	/nfs/dbraw/zinc/60/29/38/399602938.db2.gz	CNRNAQNNCHWKDJ-QZTJIDSGSA-N	0	3	315.461	2.554	20	30		DFEDHN
Cc1cccc(C)c1OCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856399	399604480	/nfs/dbraw/zinc/60/44/80/399604480.db2.gz	LFMURSWAVCXQBS-ROUUACIJSA-N	0	3	315.461	2.991	20	30		DFEDHN
COc1ccc([C@H](CN2CCCC2)Nc2ccc(C#N)nn2)cc1	ZINC000302041672	533181708	/nfs/dbraw/zinc/18/17/08/533181708.db2.gz	IFVCHHYMFUUOLN-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1sccc1C#N)Cc1ccccc1	ZINC000052034133	542445376	/nfs/dbraw/zinc/44/53/76/542445376.db2.gz	RDRZSDAQYXDPII-HNNXBMFYSA-N	0	3	313.426	2.522	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000294785862	224220613	/nfs/dbraw/zinc/22/06/13/224220613.db2.gz	AWARIBNWBKQMEA-FRRDWIJNSA-N	0	3	317.393	2.640	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000067715147	542458907	/nfs/dbraw/zinc/45/89/07/542458907.db2.gz	KUDRNATUMXPQLF-MDZRGWNJSA-N	0	3	313.445	2.632	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602881331	399613333	/nfs/dbraw/zinc/61/33/33/399613333.db2.gz	HHKOLZMYDZUKFA-CVEARBPZSA-N	0	3	324.428	2.720	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000602887258	399616094	/nfs/dbraw/zinc/61/60/94/399616094.db2.gz	NVCOVZKKCMPYEF-DGCLKSJQSA-N	0	3	324.222	2.989	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C1	ZINC000625701521	399616961	/nfs/dbraw/zinc/61/69/61/399616961.db2.gz	PDYQHIIEJKUPCR-CQSZACIVSA-N	0	3	320.408	2.691	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCCCOC2CCCCC2)C1	ZINC000625701140	399617116	/nfs/dbraw/zinc/61/71/16/399617116.db2.gz	OUOKYZAEZRTXLQ-INIZCTEOSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CC[C@@H]1CCN([C@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000625701452	399617147	/nfs/dbraw/zinc/61/71/47/399617147.db2.gz	RRZCADMXCBQKFA-ZBFHGGJFSA-N	0	3	300.402	2.699	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2COCC)C1	ZINC000625702483	399617480	/nfs/dbraw/zinc/61/74/80/399617480.db2.gz	YQMIGNFMJMPDAQ-MRXNPFEDSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1	ZINC000625703232	399618292	/nfs/dbraw/zinc/61/82/92/399618292.db2.gz	JONVJWHWAIEKBX-CHWSQXEVSA-N	0	3	304.356	2.685	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(C)Cc2cccc(OC)c2)C1	ZINC000625705161	399618971	/nfs/dbraw/zinc/61/89/71/399618971.db2.gz	XXMKBPQRJXBVAW-HNNXBMFYSA-N	0	3	302.418	2.552	20	30		DFEDHN
N#Cc1ccccc1NC1CCN(Cc2cc[nH]c(=O)c2)CC1	ZINC000602902004	399621288	/nfs/dbraw/zinc/62/12/88/399621288.db2.gz	UNOMTHZXEIGSSL-UHFFFAOYSA-N	0	3	308.385	2.735	20	30		DFEDHN
CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1cccc(C#N)c1	ZINC000602908600	399623036	/nfs/dbraw/zinc/62/30/36/399623036.db2.gz	XKLRPKDWXANJNN-GOSISDBHSA-N	0	3	313.445	2.633	20	30		DFEDHN
CN(C)C[C@H]1COC2(CCCC2)CN1CCCC(C)(C)C#N	ZINC000602912261	399623305	/nfs/dbraw/zinc/62/33/05/399623305.db2.gz	HCZBOPCWQYWYSV-INIZCTEOSA-N	0	3	307.482	2.892	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccc(F)cc1	ZINC000289530761	221043720	/nfs/dbraw/zinc/04/37/20/221043720.db2.gz	WACNSYRUDCUKHW-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	ZINC000625747993	399630136	/nfs/dbraw/zinc/63/01/36/399630136.db2.gz	XAUBSYHVGIQYRN-GZBFAFLISA-N	0	3	315.335	2.838	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(Oc2ccccc2F)CC1	ZINC000602949116	399636636	/nfs/dbraw/zinc/63/66/36/399636636.db2.gz	UZUVMLZSOMWIPL-AWEZNQCLSA-N	0	3	320.408	2.970	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21	ZINC000602997136	399654374	/nfs/dbraw/zinc/65/43/74/399654374.db2.gz	CYTSPQPWMUVPBV-IKGGRYGDSA-N	0	3	300.402	2.692	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@@]1(C)C1CCCCC1)C1CC1	ZINC000603029141	399661484	/nfs/dbraw/zinc/66/14/84/399661484.db2.gz	KEOUUCYRUHEWEU-MSOLQXFVSA-N	0	3	303.450	2.840	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603063783	399668864	/nfs/dbraw/zinc/66/88/64/399668864.db2.gz	CMBYBZASRRFRFI-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1	ZINC000603068312	399669640	/nfs/dbraw/zinc/66/96/40/399669640.db2.gz	XVZDYCVLWXIRQC-JKSUJKDBSA-N	0	3	316.380	2.836	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603069988	399670942	/nfs/dbraw/zinc/67/09/42/399670942.db2.gz	AEPKWKDTZFBKPK-UHFFFAOYSA-N	0	3	306.385	2.749	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603074278	399672802	/nfs/dbraw/zinc/67/28/02/399672802.db2.gz	AEQWDMAETYMYHS-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@H](NC(=O)Nc1ccnc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000603133911	399691263	/nfs/dbraw/zinc/69/12/63/399691263.db2.gz	JFNATQDLPZXJQE-SUMWQHHRSA-N	0	3	323.400	2.766	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(NC)cc2)CC1	ZINC000625933925	399691935	/nfs/dbraw/zinc/69/19/35/399691935.db2.gz	UOTUVOKQPGXKNS-UHFFFAOYSA-N	0	3	302.422	2.890	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)n1cc(CCN2CCCCC2)nn1	ZINC000603234320	399718544	/nfs/dbraw/zinc/71/85/44/399718544.db2.gz	NKGURHQGNMTTNJ-OAHLLOKOSA-N	0	3	309.417	2.787	20	30		DFEDHN
C#C[C@H](C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1	ZINC000289655425	335062257	/nfs/dbraw/zinc/06/22/57/335062257.db2.gz	YIEDGVFWTOQOHC-QWRGUYRKSA-N	0	3	309.207	2.778	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1CCOC	ZINC000121665212	195326440	/nfs/dbraw/zinc/32/64/40/195326440.db2.gz	YVWRZULURZPMHJ-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
CCC[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN1CCOC	ZINC000121737990	195338200	/nfs/dbraw/zinc/33/82/00/195338200.db2.gz	PELUZFTYLLOSHJ-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000121747863	195339506	/nfs/dbraw/zinc/33/95/06/195339506.db2.gz	OIPVSHRYWRANJD-QGZVFWFLSA-N	0	3	311.429	2.957	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@](CO)(C(C)C)C1	ZINC000292895466	533495466	/nfs/dbraw/zinc/49/54/66/533495466.db2.gz	AAOBHZGARFPFDN-GOSISDBHSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000147001575	542661116	/nfs/dbraw/zinc/66/11/16/542661116.db2.gz	HGWONRZARCBGLA-GOSISDBHSA-N	0	3	316.445	2.532	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c1	ZINC000289762122	335065208	/nfs/dbraw/zinc/06/52/08/335065208.db2.gz	RASNMJNXQOAJHW-WMZOPIPTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-]	ZINC000184284296	335065428	/nfs/dbraw/zinc/06/54/28/335065428.db2.gz	WDBMSTKNMBPKOF-KRWDZBQOSA-N	0	3	313.397	2.998	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C1	ZINC000617777822	399797123	/nfs/dbraw/zinc/79/71/23/399797123.db2.gz	XOKIOECDUOSRQT-JQHSSLGASA-N	0	3	320.477	2.548	20	30		DFEDHN
CN1CCN(Cc2ccc(NCc3cccc(C#N)c3)cc2)CC1	ZINC000603835197	399806246	/nfs/dbraw/zinc/80/62/46/399806246.db2.gz	CGOQXMZKELDTHQ-UHFFFAOYSA-N	0	3	320.440	2.918	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN(C2CC2)C2CCCCC2)cc1	ZINC000603875010	399811121	/nfs/dbraw/zinc/81/11/21/399811121.db2.gz	GXSVDWWGABQOKY-UHFFFAOYSA-N	0	3	311.429	2.972	20	30		DFEDHN
CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000198532894	542866580	/nfs/dbraw/zinc/86/65/80/542866580.db2.gz	SZEMLLBCOKKUMW-GOSISDBHSA-N	0	3	310.397	2.820	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000289857749	335066642	/nfs/dbraw/zinc/06/66/42/335066642.db2.gz	QURXDCJANBAVIY-GHMZBOCLSA-N	0	3	316.323	2.559	20	30		DFEDHN
CC(C)OC[C@H](CO)N(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000617898225	399826259	/nfs/dbraw/zinc/82/62/59/399826259.db2.gz	SKJREZVDFYAFQK-KRWDZBQOSA-N	0	3	304.434	2.705	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(SC)cn2)CC1	ZINC000273138134	542970687	/nfs/dbraw/zinc/97/06/87/542970687.db2.gz	WSKDOSWPYCTOOT-UHFFFAOYSA-N	0	3	306.435	2.575	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@H]1CCCOC1	ZINC000626392929	399843442	/nfs/dbraw/zinc/84/34/42/399843442.db2.gz	KANQVXUYLTYJRD-HOCLYGCPSA-N	0	3	324.384	2.737	20	30		DFEDHN
O=C(Cc1ccc2c(c1)OCCO2)NCCN1CCCCCC1	ZINC000328867597	543097940	/nfs/dbraw/zinc/09/79/40/543097940.db2.gz	XBUHHNILCBIOEB-UHFFFAOYSA-N	0	3	318.417	2.833	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)Cc2cc(F)cc3c2OCOC3)C1	ZINC000328929252	543098868	/nfs/dbraw/zinc/09/88/68/543098868.db2.gz	YKDNFVSFZPHCRF-OAHLLOKOSA-N	0	3	322.380	2.676	20	30		DFEDHN
CC(C)(CNC(=O)c1csc(NC2CC2)n1)N1CCCCC1	ZINC000329537937	543105330	/nfs/dbraw/zinc/10/53/30/543105330.db2.gz	VEMPGZBJHYQRAV-UHFFFAOYSA-N	0	3	322.478	3.287	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](C(C)(C)C)C1=O)C(C)C	ZINC000348780369	543187524	/nfs/dbraw/zinc/18/75/24/543187524.db2.gz	PCHJWRJYRFWMAD-GJZGRUSLSA-N	0	3	321.465	2.652	20	30		DFEDHN
COc1ccccc1NC(=O)C1CCN(CCCC#N)CC1	ZINC000052641211	425885283	/nfs/dbraw/zinc/88/52/83/425885283.db2.gz	SCBZVMOWVSWJPU-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1	ZINC000352269806	543229086	/nfs/dbraw/zinc/22/90/86/543229086.db2.gz	YHAVSXXUHFZOMF-NWDGAFQWSA-N	0	3	304.356	2.732	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1	ZINC000352269807	543229171	/nfs/dbraw/zinc/22/91/71/543229171.db2.gz	YHAVSXXUHFZOMF-RYUDHWBXSA-N	0	3	304.356	2.732	20	30		DFEDHN
N#Cc1ccc(OCCNCc2c[nH]nc2-c2cccnc2)cc1	ZINC000174561764	145383930	/nfs/dbraw/zinc/38/39/30/145383930.db2.gz	NPEYNCJHWKMXQY-UHFFFAOYSA-N	0	3	319.368	2.512	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccncc1Br	ZINC000631125161	399985518	/nfs/dbraw/zinc/98/55/18/399985518.db2.gz	ALAKDRYRZIYCII-OCCSQVGLSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN(CCO)C2CC2)cc1OC	ZINC000628135175	399989649	/nfs/dbraw/zinc/98/96/49/399989649.db2.gz	OPYCFCKRZKDOFQ-UHFFFAOYSA-N	0	3	311.809	2.870	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN(C)C2CC(O)C2)cc1OC	ZINC000628238728	400006294	/nfs/dbraw/zinc/00/62/94/400006294.db2.gz	KQHCRFHKDLSNSO-UHFFFAOYSA-N	0	3	311.809	2.869	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634274108	400008508	/nfs/dbraw/zinc/00/85/08/400008508.db2.gz	LYLFEGFXHDSEII-SJLPKXTDSA-N	0	3	316.445	2.667	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1Cl	ZINC000424092858	543342222	/nfs/dbraw/zinc/34/22/22/543342222.db2.gz	PUTJCRMOSLCALW-GFCCVEGCSA-N	0	3	314.216	2.673	20	30		DFEDHN
CC[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCCO2	ZINC000190841867	145867561	/nfs/dbraw/zinc/86/75/61/145867561.db2.gz	ZJKDJRWJLGTRJR-INIZCTEOSA-N	0	3	311.385	2.909	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)c1ccc(Br)cc1C#N	ZINC000229175021	146010848	/nfs/dbraw/zinc/01/08/48/146010848.db2.gz	YKGINGRJAJFUKU-ZDUSSCGKSA-N	0	3	308.223	2.851	20	30		DFEDHN
CN1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1	ZINC000245682809	146093217	/nfs/dbraw/zinc/09/32/17/146093217.db2.gz	MZBXYCQMQBNTAT-IAGOWNOFSA-N	0	3	317.339	2.964	20	30		DFEDHN
C[C@@H]1CCCCN1CCNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443509582	543357755	/nfs/dbraw/zinc/35/77/55/543357755.db2.gz	JIYKAULDCZEPAE-LLVKDONJSA-N	0	3	312.339	3.258	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCS[C@@H]3COCC[C@H]32)c1	ZINC000246592650	146144551	/nfs/dbraw/zinc/14/45/51/146144551.db2.gz	CSZXISAHDXTKRO-IAGOWNOFSA-N	0	3	318.442	2.533	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN(CCC(C)(C)C#N)CC1	ZINC000537385691	543440413	/nfs/dbraw/zinc/44/04/13/543440413.db2.gz	OAVOAACERWGACZ-UHFFFAOYSA-N	0	3	317.481	2.912	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000358285388	148318222	/nfs/dbraw/zinc/31/82/22/148318222.db2.gz	ZIZGNPKTKPBNLU-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C)c1cccc(C#N)c1	ZINC000360597810	148885005	/nfs/dbraw/zinc/88/50/05/148885005.db2.gz	QGOUKQXTGISCJL-RLFYNMQTSA-N	0	3	311.429	2.747	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cncc(F)c1	ZINC000361133972	149036102	/nfs/dbraw/zinc/03/61/02/149036102.db2.gz	ATDRETSAGZIIRR-GFCCVEGCSA-N	0	3	312.348	2.772	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCOC1	ZINC000361254103	149066359	/nfs/dbraw/zinc/06/63/59/149066359.db2.gz	YWYPIYIREBFZGS-QGZVFWFLSA-N	0	3	310.401	2.570	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccnn1CCN(C)C	ZINC000667152227	543554688	/nfs/dbraw/zinc/55/46/88/543554688.db2.gz	HRDBBHQCYIMMLV-LSDHHAIUSA-N	0	3	319.453	2.701	20	30		DFEDHN
N#Cc1ccc(N2CCCN(Cc3ccc(CO)cc3)CC2)cc1	ZINC000361770225	149214843	/nfs/dbraw/zinc/21/48/43/149214843.db2.gz	VXJQFURDUDGPRV-UHFFFAOYSA-N	0	3	321.424	2.763	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000361898376	149250493	/nfs/dbraw/zinc/25/04/93/149250493.db2.gz	BTNJQYCAUXDMLZ-JKSUJKDBSA-N	0	3	312.417	2.888	20	30		DFEDHN
COc1ccc(CN2CCC23CCC(CO)CC3)cc1C#N	ZINC000367741215	149638076	/nfs/dbraw/zinc/63/80/76/149638076.db2.gz	PLINPAVSZINUJU-UHFFFAOYSA-N	0	3	300.402	2.694	20	30		DFEDHN
COc1ccc2c(c1)[C@](O)(CNCc1cccc(C#N)c1)CCC2	ZINC000371312327	150020416	/nfs/dbraw/zinc/02/04/16/150020416.db2.gz	BTMNIOJPGRMIKJ-HXUWFJFHSA-N	0	3	322.408	2.881	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@@]3(CCCCO3)C2)c1	ZINC000373180027	150242602	/nfs/dbraw/zinc/24/26/02/150242602.db2.gz	NDFLSWHICKXCNF-SFHVURJKSA-N	0	3	300.402	2.972	20	30		DFEDHN
C=Cn1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cn1	ZINC000373194385	150245460	/nfs/dbraw/zinc/24/54/60/150245460.db2.gz	BAHAXPDNNAFDTP-KRWDZBQOSA-N	0	3	307.401	2.614	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3cnccn3)CC2)c1	ZINC000373763822	150254378	/nfs/dbraw/zinc/25/43/78/150254378.db2.gz	WQHCAUXLGWXHAI-UHFFFAOYSA-N	0	3	322.412	2.997	20	30		DFEDHN
N#Cc1ccc(OCCN[C@H]2c3ccccc3CC[C@H]2CO)cc1	ZINC000373815213	150260682	/nfs/dbraw/zinc/26/06/82/150260682.db2.gz	MOLAJMIFNVTXJB-FXAWDEMLSA-N	0	3	322.408	2.823	20	30		DFEDHN
COc1cc(CN[C@H]2c3ccccc3CC[C@@H]2CO)ccc1C#N	ZINC000374147636	150312476	/nfs/dbraw/zinc/31/24/76/150312476.db2.gz	IXZQXBGIZPAIEE-YLJYHZDGSA-N	0	3	322.408	2.952	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1C#N	ZINC000374204121	150321728	/nfs/dbraw/zinc/32/17/28/150321728.db2.gz	IHONAMLOFKGTGP-USXIJHARSA-N	0	3	300.402	2.812	20	30		DFEDHN
CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCOCC1	ZINC000358590735	158392382	/nfs/dbraw/zinc/39/23/82/158392382.db2.gz	OBFOGKBUGNUDJU-KBXCAEBGSA-N	0	3	319.424	2.705	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@H]2CN1c1nc(C)c(C#N)cc1Cl	ZINC000360081547	287231871	/nfs/dbraw/zinc/23/18/71/287231871.db2.gz	GIRBTQOXSNDTIQ-KGLIPLIRSA-N	0	3	304.825	2.978	20	30		DFEDHN
C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1C#N	ZINC000132679794	196274643	/nfs/dbraw/zinc/27/46/43/196274643.db2.gz	GNSWCLORJULLMI-IUODEOHRSA-N	0	3	315.417	2.821	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ncccc2CSC)CC1	ZINC000290362384	335072714	/nfs/dbraw/zinc/07/27/14/335072714.db2.gz	ZOZPJMGCAZUBIU-UHFFFAOYSA-N	0	3	319.474	2.715	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(F)c(F)c1	ZINC000681317964	545627570	/nfs/dbraw/zinc/62/75/70/545627570.db2.gz	WBJMBFFUBQNTSE-BBRMVZONSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1c(C)cnn1C)C(C)C	ZINC000667430008	543605050	/nfs/dbraw/zinc/60/50/50/543605050.db2.gz	BDTSUBOMENYYFE-HNNXBMFYSA-N	0	3	319.453	2.549	20	30		DFEDHN
CN(C)[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1ccccc1	ZINC000295623510	225060271	/nfs/dbraw/zinc/06/02/71/225060271.db2.gz	ATXXCHOUNXSEPF-OAHLLOKOSA-N	0	3	311.345	2.576	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc(OC)c1O	ZINC000668554244	543825320	/nfs/dbraw/zinc/82/53/20/543825320.db2.gz	LRJRJNMCUGQNDV-STQMWFEESA-N	0	3	305.418	2.578	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@](O)(C3CC3)C2)cc(OC)c1O	ZINC000668555673	543826134	/nfs/dbraw/zinc/82/61/34/543826134.db2.gz	BNYQFUISUUOFTC-IBGZPJMESA-N	0	3	317.429	2.866	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(F)ccc3ccncc32)CC1	ZINC000668369916	543798721	/nfs/dbraw/zinc/79/87/21/543798721.db2.gz	IHVKAGRFDDWTHD-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cnccc1C)C(C)C	ZINC000668682185	543844832	/nfs/dbraw/zinc/84/48/32/543844832.db2.gz	AFUGLBHENHZZAU-SFHVURJKSA-N	0	3	315.461	2.747	20	30		DFEDHN
COCC#CCN[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000670092264	544022231	/nfs/dbraw/zinc/02/22/31/544022231.db2.gz	UVKPAUSPQRENRQ-ROUUACIJSA-N	0	3	322.399	2.728	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000669813896	543996745	/nfs/dbraw/zinc/99/67/45/543996745.db2.gz	FUYBFEXVPHCXFO-INIZCTEOSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CC(N)=O)CC2)cc1	ZINC000671469813	544076850	/nfs/dbraw/zinc/07/68/50/544076850.db2.gz	SKRFKOQXLGAVEC-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1	ZINC000670396041	544037022	/nfs/dbraw/zinc/03/70/22/544037022.db2.gz	OIBZVXRTANFDPC-INIZCTEOSA-N	0	3	310.482	2.673	20	30		DFEDHN
CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1C#N	ZINC000291343028	222327041	/nfs/dbraw/zinc/32/70/41/222327041.db2.gz	NAIVUOZPFUODEC-KRWDZBQOSA-N	0	3	303.381	2.734	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ncc(Cl)cc2C)CC1	ZINC000291428686	335082286	/nfs/dbraw/zinc/08/22/86/335082286.db2.gz	GYWNRCVLSXYSBK-UHFFFAOYSA-N	0	3	308.813	2.815	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CCOC)C2CCCC2)CC1	ZINC000674154927	544223533	/nfs/dbraw/zinc/22/35/33/544223533.db2.gz	UTYWXWXVSJMAHC-UHFFFAOYSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(CC)C[C@H]1C	ZINC000674886067	544274321	/nfs/dbraw/zinc/27/43/21/544274321.db2.gz	JEAQZKFYXPFBCC-NVXWUHKLSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000674934364	544278300	/nfs/dbraw/zinc/27/83/00/544278300.db2.gz	ZAWRXALIIWSENV-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000675498038	544316064	/nfs/dbraw/zinc/31/60/64/544316064.db2.gz	YWFWDXOGNOGDFV-CVEARBPZSA-N	0	3	321.465	2.631	20	30		DFEDHN
C=C[C@@H](CC(=O)N[C@@H]1CCCN(CCOC)C1)c1ccccc1	ZINC000677541712	544503366	/nfs/dbraw/zinc/50/33/66/544503366.db2.gz	SXLQOFRGCCVWBU-FUHWJXTLSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=C(C)CCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000681410671	545639069	/nfs/dbraw/zinc/63/90/69/545639069.db2.gz	UFCUPTCMXPVHRQ-MRXNPFEDSA-N	0	3	308.447	2.859	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000678220776	544622192	/nfs/dbraw/zinc/62/21/92/544622192.db2.gz	YZKRGKRCBNROHB-ZDUSSCGKSA-N	0	3	302.418	2.893	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2nc(C)cc(OC)n2)CC1	ZINC000678715362	544711761	/nfs/dbraw/zinc/71/17/61/544711761.db2.gz	OHVDFFKKUYDVJH-OAHLLOKOSA-N	0	3	304.438	2.660	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000679174920	544795362	/nfs/dbraw/zinc/79/53/62/544795362.db2.gz	QUUWPGAXKQTSTQ-JKSUJKDBSA-N	0	3	312.417	2.588	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1	ZINC000679174957	544795652	/nfs/dbraw/zinc/79/56/52/544795652.db2.gz	KZYSQARGUACNLM-HOTGVXAUSA-N	0	3	318.465	2.969	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1ccc(C#N)nn1	ZINC000301962198	230005012	/nfs/dbraw/zinc/00/50/12/230005012.db2.gz	IIVJHBNIWVNVMG-MAUKXSAKSA-N	0	3	321.428	2.695	20	30		DFEDHN
N#Cc1ccc(Nc2cccc(CN3CCSCC3)c2)nn1	ZINC000301991267	230022272	/nfs/dbraw/zinc/02/22/72/230022272.db2.gz	MOGQBCOGPMGUJE-UHFFFAOYSA-N	0	3	311.414	2.641	20	30		DFEDHN
COCCN1CCC(CNc2cc(C#N)ccc2C(C)=O)CC1	ZINC000302046574	230059823	/nfs/dbraw/zinc/05/98/23/230059823.db2.gz	LBQGFDMJRGXNGR-UHFFFAOYSA-N	0	3	315.417	2.531	20	30		DFEDHN
C=CCCCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000679823628	544913361	/nfs/dbraw/zinc/91/33/61/544913361.db2.gz	NSSDRRNHGCIGKO-INIZCTEOSA-N	0	3	308.447	2.859	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(CC)C1	ZINC000057870464	425896975	/nfs/dbraw/zinc/89/69/75/425896975.db2.gz	QASUDJWIHMVPPD-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
COc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1C#N	ZINC000340174950	269778522	/nfs/dbraw/zinc/77/85/22/269778522.db2.gz	UCCOCGQVSKYLAH-JKSUJKDBSA-N	0	3	300.402	2.815	20	30		DFEDHN
CS[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1N(C)C	ZINC000340736228	269809332	/nfs/dbraw/zinc/80/93/32/269809332.db2.gz	GBKMTDCCLFTCDQ-HZPDHXFCSA-N	0	3	312.442	2.588	20	30		DFEDHN
CCC(CC)N(CCOC)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000064806457	425902211	/nfs/dbraw/zinc/90/22/11/425902211.db2.gz	TUCIWOXFVLGQSP-UHFFFAOYSA-N	0	3	323.481	2.808	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(OC)ccc2Cl)CC1	ZINC000067235838	425909464	/nfs/dbraw/zinc/90/94/64/425909464.db2.gz	FZEKNWFVXQNDQU-UHFFFAOYSA-N	0	3	306.793	2.632	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCCCCc2ccccc2)CC1	ZINC000067875644	425914202	/nfs/dbraw/zinc/91/42/02/425914202.db2.gz	PQCDBXDUYHFJJZ-UHFFFAOYSA-N	0	3	312.457	2.861	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C#N)s1	ZINC000420801237	269871657	/nfs/dbraw/zinc/87/16/57/269871657.db2.gz	KCCCDSBFXVRFGS-CHWSQXEVSA-N	0	3	320.462	2.539	20	30		DFEDHN
N#Cc1ccccc1OCCN1C[C@H](O)C[C@H]1c1ccccc1	ZINC000411957273	270000024	/nfs/dbraw/zinc/00/00/24/270000024.db2.gz	WPXLUOIZASYMAD-MSOLQXFVSA-N	0	3	308.381	2.745	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)CSc1ccc(C#N)cc1	ZINC000103074739	425935645	/nfs/dbraw/zinc/93/56/45/425935645.db2.gz	ZFFCDMPFJYWZJI-HNNXBMFYSA-N	0	3	319.474	2.743	20	30		DFEDHN
CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000348276633	266370613	/nfs/dbraw/zinc/37/06/13/266370613.db2.gz	LBYHHAQVTZBCTJ-HUUCEWRRSA-N	0	3	324.409	2.965	20	30		DFEDHN
COc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000347958923	266883390	/nfs/dbraw/zinc/88/33/90/266883390.db2.gz	DCPZRVYAXDESQC-KRWDZBQOSA-N	0	3	319.364	2.566	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)c1cc(C)c(C#N)cn1	ZINC000457501480	267006616	/nfs/dbraw/zinc/00/66/16/267006616.db2.gz	JLXLLHMTHYWXTN-INIZCTEOSA-N	0	3	314.433	2.646	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450294584	267007540	/nfs/dbraw/zinc/00/75/40/267007540.db2.gz	PFAMRKUCRLICFE-AWEZNQCLSA-N	0	3	317.393	2.928	20	30		DFEDHN
CCC[C@H]1CNCCN1c1ccc(C#N)cc1Br	ZINC000420235662	267039441	/nfs/dbraw/zinc/03/94/41/267039441.db2.gz	OVHMZOTUBVNJNB-LBPRGKRZSA-N	0	3	308.223	2.899	20	30		DFEDHN
CCN(CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)C1CC1	ZINC000425437824	267064702	/nfs/dbraw/zinc/06/47/02/267064702.db2.gz	BXLRMGCXOVWTMG-AWEZNQCLSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCN(CCNCc1ccc(C#N)s1)CCC(F)(F)F	ZINC000494851950	267067032	/nfs/dbraw/zinc/06/70/32/267067032.db2.gz	VUBXURLVERJKOU-UHFFFAOYSA-N	0	3	305.369	2.984	20	30		DFEDHN
CCOC(=O)CC1(NCc2cc(C#N)ccc2OC)CCCC1	ZINC000434614475	267114819	/nfs/dbraw/zinc/11/48/19/267114819.db2.gz	JKLNXMNEELBLOU-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
CCOC(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000494975382	267120642	/nfs/dbraw/zinc/12/06/42/267120642.db2.gz	ZHGDLJKLBIMIBR-LBPRGKRZSA-N	0	3	319.380	2.969	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F	ZINC000451600568	267132494	/nfs/dbraw/zinc/13/24/94/267132494.db2.gz	RDXXLVJEUPUSEV-CABCVRRESA-N	0	3	304.365	2.909	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000452032058	267145912	/nfs/dbraw/zinc/14/59/12/267145912.db2.gz	MTUCZBKWBVMIEF-IAOVAPTHSA-N	0	3	315.417	2.823	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@@]12CCCO2	ZINC000444002595	267150656	/nfs/dbraw/zinc/15/06/56/267150656.db2.gz	KDYAEHZGAXKCDB-KURKYZTESA-N	0	3	300.402	2.683	20	30		DFEDHN
C[C@H](CN(C)C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000346235927	267156073	/nfs/dbraw/zinc/15/60/73/267156073.db2.gz	YILOGHRTACQJRS-CQSZACIVSA-N	0	3	322.412	2.982	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000188591185	267156767	/nfs/dbraw/zinc/15/67/67/267156767.db2.gz	WCMOBOTZAPZMRQ-MGPQQGTHSA-N	0	3	317.408	2.794	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000280115947	267160870	/nfs/dbraw/zinc/16/08/70/267160870.db2.gz	UFMZJBDTSGCYLT-IUODEOHRSA-N	0	3	324.409	2.617	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccnc1	ZINC000349429585	267176942	/nfs/dbraw/zinc/17/69/42/267176942.db2.gz	QVLYOBLUADEJPT-GUYCJALGSA-N	0	3	304.353	2.513	20	30		DFEDHN
CC[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000419326244	267212402	/nfs/dbraw/zinc/21/24/02/267212402.db2.gz	YGNVTCJUZDPPGE-GWCFXTLKSA-N	0	3	313.323	2.653	20	30		DFEDHN
C[C@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000342357583	267215670	/nfs/dbraw/zinc/21/56/70/267215670.db2.gz	GFUZANYIEBPCPG-YJBOKZPZSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H]1CCSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280148201	267221055	/nfs/dbraw/zinc/22/10/55/267221055.db2.gz	WFSYOHPAIHRHHH-XJKSGUPXSA-N	0	3	313.426	2.595	20	30		DFEDHN
CC[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1	ZINC000447601200	267221498	/nfs/dbraw/zinc/22/14/98/267221498.db2.gz	PBPWMPYUZVIOAD-CVEARBPZSA-N	0	3	306.431	2.566	20	30		DFEDHN
CC[C@](C)(NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O	ZINC000411393333	267237714	/nfs/dbraw/zinc/23/77/14/267237714.db2.gz	RJQYUPCAOYMAJF-IBGZPJMESA-N	0	3	307.397	2.969	20	30		DFEDHN
CC[C@](CNCc1ccc(C#N)o1)(C(=O)OC)c1ccccc1	ZINC000414582623	267239318	/nfs/dbraw/zinc/23/93/18/267239318.db2.gz	HBGVUTVVBLAGBS-GOSISDBHSA-N	0	3	312.369	2.762	20	30		DFEDHN
CCc1cc(N2CCN(c3ccc(C#N)cc3F)CC2)ccn1	ZINC000450296564	267246002	/nfs/dbraw/zinc/24/60/02/267246002.db2.gz	FFMMCXJFABMIMX-UHFFFAOYSA-N	0	3	310.376	2.981	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419625087	267278745	/nfs/dbraw/zinc/27/87/45/267278745.db2.gz	WCTFQPJFTUYBAA-INIZCTEOSA-N	0	3	314.433	2.575	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2cc(C#N)cs2)c1	ZINC000437666474	267281100	/nfs/dbraw/zinc/28/11/00/267281100.db2.gz	FEORVSMLTBMNKK-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000346239162	267306825	/nfs/dbraw/zinc/30/68/25/267306825.db2.gz	OUIHBINSEBKHOW-QIIPPGSGSA-N	0	3	311.429	2.669	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC[C@H](O)CC1	ZINC000439265574	267315075	/nfs/dbraw/zinc/31/50/75/267315075.db2.gz	MTMSNZYONZTPLN-HDJSIYSDSA-N	0	3	310.344	2.895	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1	ZINC000447811505	267333308	/nfs/dbraw/zinc/33/33/08/267333308.db2.gz	FYQAVFIFGHIHSL-HNNXBMFYSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N	ZINC000432141309	267333531	/nfs/dbraw/zinc/33/35/31/267333531.db2.gz	DBVSADXKTQYDTA-HNNXBMFYSA-N	0	3	302.378	2.999	20	30		DFEDHN
COc1cc([C@H](C)NCCC(=O)Nc2ccccc2C#N)ccn1	ZINC000411745568	267595421	/nfs/dbraw/zinc/59/54/21/267595421.db2.gz	VODPYHJMRPNJFW-ZDUSSCGKSA-N	0	3	324.384	2.641	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420605186	267898498	/nfs/dbraw/zinc/89/84/98/267898498.db2.gz	UKKRZLQTUJRTFG-YJBOKZPZSA-N	0	3	321.428	2.838	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC1CCN(C2CC2)CC1	ZINC000045065985	425859834	/nfs/dbraw/zinc/85/98/34/425859834.db2.gz	IDDLCNOFZXZSKS-UHFFFAOYSA-N	0	3	300.402	2.608	20	30		DFEDHN
N#Cc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1F	ZINC000264427075	268009628	/nfs/dbraw/zinc/00/96/28/268009628.db2.gz	AOWSHSAFHWUNNG-HNNXBMFYSA-N	0	3	316.380	2.789	20	30		DFEDHN
Cc1cccc2c1CN(C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000429595975	268058460	/nfs/dbraw/zinc/05/84/60/268058460.db2.gz	LAWLWXYSBVCCNO-SFHVURJKSA-N	0	3	322.408	2.665	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2F)cc1	ZINC000348011266	268085689	/nfs/dbraw/zinc/08/56/89/268085689.db2.gz	LVWREOSLSYOCOL-KRWDZBQOSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC(F)(F)C2)cc1	ZINC000280790629	268085803	/nfs/dbraw/zinc/08/58/03/268085803.db2.gz	TVTGQBLKCUYETM-GJZGRUSLSA-N	0	3	317.339	2.792	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2Cc3ccccc3C2)cc1	ZINC000348454861	268085853	/nfs/dbraw/zinc/08/58/53/268085853.db2.gz	ZUBMIOYGTIFBOD-SFHVURJKSA-N	0	3	315.376	2.524	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(F)c2)cc1	ZINC000348072454	268086717	/nfs/dbraw/zinc/08/67/17/268086717.db2.gz	AYTIOBONGHLYMR-INIZCTEOSA-N	0	3	307.328	2.696	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N(CC2CC2)CC2CC2)cc1	ZINC000348237643	268088446	/nfs/dbraw/zinc/08/84/46/268088446.db2.gz	ZRQIWIIBJKXDOV-GOSISDBHSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1	ZINC000332312028	268089447	/nfs/dbraw/zinc/08/94/47/268089447.db2.gz	MVYMTBAEXWRILI-OKZBNKHCSA-N	0	3	307.397	2.889	20	30		DFEDHN
Cc1nsc(NC(=O)N(CCN(C)C)C2CCCC2)c1C#N	ZINC000459580660	268102271	/nfs/dbraw/zinc/10/22/71/268102271.db2.gz	JSIOUJHABHIPAI-UHFFFAOYSA-N	0	3	321.450	2.661	20	30		DFEDHN
Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000459764306	268105163	/nfs/dbraw/zinc/10/51/63/268105163.db2.gz	CRDBQFJPCYNUIE-QJZXMWHDSA-N	0	3	301.390	2.873	20	30		DFEDHN
Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000459764302	268105254	/nfs/dbraw/zinc/10/52/54/268105254.db2.gz	CRDBQFJPCYNUIE-IKVITTDRSA-N	0	3	301.390	2.873	20	30		DFEDHN
N#Cc1ccc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1	ZINC000376150278	268109495	/nfs/dbraw/zinc/10/94/95/268109495.db2.gz	LCOSOYNGVZRSBN-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
N#Cc1ccc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1	ZINC000376150278	268109498	/nfs/dbraw/zinc/10/94/98/268109498.db2.gz	LCOSOYNGVZRSBN-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)nc1	ZINC000349862545	268116356	/nfs/dbraw/zinc/11/63/56/268116356.db2.gz	WOXJVLQOHWOBTG-RBUKOAKNSA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C4CC4)C3)C2=O)cc1	ZINC000344001360	268126797	/nfs/dbraw/zinc/12/67/97/268126797.db2.gz	ZASXHBVZIRNZCA-AEFFLSMTSA-N	0	3	309.413	2.786	20	30		DFEDHN
N#Cc1c(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cn2ccccc12	ZINC000451696424	268158580	/nfs/dbraw/zinc/15/85/80/268158580.db2.gz	AXBMANGSZPGAND-INMHGKMJSA-N	0	3	309.413	2.794	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1F	ZINC000530021793	268159580	/nfs/dbraw/zinc/15/95/80/268159580.db2.gz	DLJXSSZQOAOQFQ-ZDUSSCGKSA-N	0	3	319.355	2.583	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1c(C)noc1C)C(C)C	ZINC000047633205	425871045	/nfs/dbraw/zinc/87/10/45/425871045.db2.gz	LXULGUVMYLFOCC-QGZVFWFLSA-N	0	3	319.449	2.649	20	30		DFEDHN
N#Cc1c2c(cnc1N1CCN(C3CCCCC3)CC1)CCC2	ZINC000425246978	268169527	/nfs/dbraw/zinc/16/95/27/268169527.db2.gz	YVQBHLBTUDXQIV-UHFFFAOYSA-N	0	3	310.445	2.897	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000048215421	425873544	/nfs/dbraw/zinc/87/35/44/425873544.db2.gz	LRAGKICLRHFEAN-GOSISDBHSA-N	0	3	322.412	2.660	20	30		DFEDHN
N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(Cl)c1	ZINC000439449464	268216939	/nfs/dbraw/zinc/21/69/39/268216939.db2.gz	IGFJMLZUPNAPBY-GDBMZVCRSA-N	0	3	317.820	2.702	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCc1cccnc1-n1cccn1)CC2	ZINC000353272220	268223133	/nfs/dbraw/zinc/22/31/33/268223133.db2.gz	AQBHTBUBJBIGKE-GOSISDBHSA-N	0	3	315.380	2.916	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)s1	ZINC000518161592	268230745	/nfs/dbraw/zinc/23/07/45/268230745.db2.gz	NAXUXJCXVXRDGD-HNNXBMFYSA-N	0	3	303.431	2.643	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)CC2CCCCC2)cc1F	ZINC000421361134	268231930	/nfs/dbraw/zinc/23/19/30/268231930.db2.gz	GGKILHKDXGNSRX-UHFFFAOYSA-N	0	3	317.408	2.874	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3sccc3C2)cc1F	ZINC000421328156	268232505	/nfs/dbraw/zinc/23/25/05/268232505.db2.gz	RZTLPSGRVYLDSI-UHFFFAOYSA-N	0	3	315.417	2.907	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1cccc(C#N)c1	ZINC000270956120	268239777	/nfs/dbraw/zinc/23/97/77/268239777.db2.gz	QFNIEAMAUVPLOT-KIUWMYQTSA-N	0	3	311.429	2.760	20	30		DFEDHN
N#Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1F	ZINC000529101141	268245819	/nfs/dbraw/zinc/24/58/19/268245819.db2.gz	LAOVUXDGAZXOCW-HNNXBMFYSA-N	0	3	316.380	2.836	20	30		DFEDHN
N#Cc1cccc(CC(=O)N2CCC[C@H]2CN2CCCCC2)c1	ZINC000531151656	268273111	/nfs/dbraw/zinc/27/31/11/268273111.db2.gz	RUWHZCFFDZSGLK-SFHVURJKSA-N	0	3	311.429	2.578	20	30		DFEDHN
N#Cc1cccc(CC(=O)NC[C@H]2CCN2C2CCCCC2)c1	ZINC000529723175	268276049	/nfs/dbraw/zinc/27/60/49/268276049.db2.gz	QOJBYTQCMKZMDB-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC3(CCC3)[C@@H]3COC[C@@H]32)c1	ZINC000459673902	268284036	/nfs/dbraw/zinc/28/40/36/268284036.db2.gz	MDHIGVFLBFZGOQ-MSOLQXFVSA-N	0	3	312.413	2.828	20	30		DFEDHN
N#Cc1cccc(OCCN[C@]2(CO)CCCc3ccccc32)c1	ZINC000440467352	268284381	/nfs/dbraw/zinc/28/43/81/268284381.db2.gz	LVSFYQAUDLZDDT-FQEVSTJZSA-N	0	3	322.408	2.751	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1	ZINC000514999373	268285362	/nfs/dbraw/zinc/28/53/62/268285362.db2.gz	HGJPUXPLPHDTPW-RBUKOAKNSA-N	0	3	314.429	2.810	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccsc1	ZINC000530241993	268298607	/nfs/dbraw/zinc/29/86/07/268298607.db2.gz	FXDYFQMNPCLZEG-HRCADAONSA-N	0	3	314.410	2.505	20	30		DFEDHN
N#Cc1csc(CNCC2(c3ccccc3)CCOCC2)n1	ZINC000352837309	268320256	/nfs/dbraw/zinc/32/02/56/268320256.db2.gz	ZEQDOUGOVCPLPG-UHFFFAOYSA-N	0	3	313.426	2.853	20	30		DFEDHN
CCc1cccc(OC[C@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320214481	268347954	/nfs/dbraw/zinc/34/79/54/268347954.db2.gz	SIZSEMLUFHLDBV-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccc(OC)cc2)CC1	ZINC000107597035	425996167	/nfs/dbraw/zinc/99/61/67/425996167.db2.gz	RLSQRDBBMYMJHY-HNNXBMFYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](C(=O)NCCC)C2)c1	ZINC000125958268	425998248	/nfs/dbraw/zinc/99/82/48/425998248.db2.gz	CJPXOECJOQFPLS-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC[C@H](SC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000126086052	426003795	/nfs/dbraw/zinc/00/37/95/426003795.db2.gz	UJTAQUWHYPOHOY-INIZCTEOSA-N	0	3	319.474	2.590	20	30		DFEDHN
CN(C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000103205528	425939606	/nfs/dbraw/zinc/93/96/06/425939606.db2.gz	HVBBUTCLQHGOHR-UHFFFAOYSA-N	0	3	309.369	2.642	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CCC1	ZINC000104697487	425964985	/nfs/dbraw/zinc/96/49/85/425964985.db2.gz	QSUKGXBVSGBDFE-CZUORRHYSA-N	0	3	315.417	2.518	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)N(C)C1CC1	ZINC000105267866	425966380	/nfs/dbraw/zinc/96/63/80/425966380.db2.gz	AJFWVUUZHBRSOG-HNNXBMFYSA-N	0	3	301.434	2.867	20	30		DFEDHN
O=C1C[C@@H]([C@H]2CCCCN2CC#Cc2cccc(Cl)c2)CN1	ZINC000125365171	425967689	/nfs/dbraw/zinc/96/76/89/425967689.db2.gz	URLDHBSKIRCTQH-NVXWUHKLSA-N	0	3	316.832	2.682	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2F)CC1	ZINC000106039008	425970112	/nfs/dbraw/zinc/97/01/12/425970112.db2.gz	SQNMFCFHIKPKCV-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccccc2OCC)CC1	ZINC000106037368	425970837	/nfs/dbraw/zinc/97/08/37/425970837.db2.gz	IEFTUJUUPGVWNC-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)N(C)CCC#N	ZINC000070788568	425976317	/nfs/dbraw/zinc/97/63/17/425976317.db2.gz	ARFFGEALZRXHMF-GJZGRUSLSA-N	0	3	313.445	2.977	20	30		DFEDHN
Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000109077909	426027385	/nfs/dbraw/zinc/02/73/85/426027385.db2.gz	KOEZBWDQNVUPAE-QGZVFWFLSA-N	0	3	323.444	2.667	20	30		DFEDHN
CC(C)[C@H](CCO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000161853606	426042795	/nfs/dbraw/zinc/04/27/95/426042795.db2.gz	BSMIYBMVNFBPMW-HNNXBMFYSA-N	0	3	315.335	2.933	20	30		DFEDHN
CCN(C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C	ZINC000162564903	426070071	/nfs/dbraw/zinc/07/00/71/426070071.db2.gz	NADFUMAONICPPW-UHFFFAOYSA-N	0	3	316.449	2.772	20	30		DFEDHN
C#CCNC(=O)[C@H](C)NCC(c1ccccc1)c1ccccc1	ZINC000126414885	426018165	/nfs/dbraw/zinc/01/81/65/426018165.db2.gz	LJQQHQRTJBLVJS-INIZCTEOSA-N	0	3	306.409	2.546	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1	ZINC000108710136	426020634	/nfs/dbraw/zinc/02/06/34/426020634.db2.gz	XJXYACJGLKDTRD-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)[C@@H]1COc2ccccc21	ZINC000163075636	426088465	/nfs/dbraw/zinc/08/84/65/426088465.db2.gz	UMNWZFOUCZTXIQ-VYDXJSESSA-N	0	3	314.429	2.730	20	30		DFEDHN
CC1(C)CCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163107517	426089843	/nfs/dbraw/zinc/08/98/43/426089843.db2.gz	SHEPDVPYUPJFLB-HNNXBMFYSA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000163151035	426090829	/nfs/dbraw/zinc/09/08/29/426090829.db2.gz	LPILIECHUJEWTE-AWEZNQCLSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1	ZINC000163152846	426090934	/nfs/dbraw/zinc/09/09/34/426090934.db2.gz	GJUIFKUIMIGVQW-CPUCHLNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163148209	426091683	/nfs/dbraw/zinc/09/16/83/426091683.db2.gz	IQCWDUQHJOAKTF-RDJZCZTQSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1Cl	ZINC000075997129	426092524	/nfs/dbraw/zinc/09/25/24/426092524.db2.gz	MQCABQSKZWLTBW-UHFFFAOYSA-N	0	3	318.808	2.960	20	30		DFEDHN
C=CCCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000076738266	426117004	/nfs/dbraw/zinc/11/70/04/426117004.db2.gz	UUGHRZHVJQGIIC-HNNXBMFYSA-N	0	3	303.362	2.598	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN1CCCCC[C@H]1c1ccccc1	ZINC000076748106	426117016	/nfs/dbraw/zinc/11/70/16/426117016.db2.gz	WCUWNBPCPXDTMY-INIZCTEOSA-N	0	3	315.417	2.616	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000128505785	426120652	/nfs/dbraw/zinc/12/06/52/426120652.db2.gz	SBKHWGPIOICKPA-GOSISDBHSA-N	0	3	324.428	2.592	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2ccccc2C#N)[C@@H]1C	ZINC000112643944	426085755	/nfs/dbraw/zinc/08/57/55/426085755.db2.gz	UPPAPHNCJWKBJO-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1	ZINC000116940175	426201919	/nfs/dbraw/zinc/20/19/19/426201919.db2.gz	IPWOMDOGPPCMQW-OAHLLOKOSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000134956959	426202436	/nfs/dbraw/zinc/20/24/36/426202436.db2.gz	OYAQYXPBARDDBS-SFHVURJKSA-N	0	3	304.434	2.846	20	30		DFEDHN
CNC(=O)CCN(C)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000171670603	426203137	/nfs/dbraw/zinc/20/31/37/426203137.db2.gz	DDRHUZCIMCPYHH-UHFFFAOYSA-N	0	3	307.397	2.793	20	30		DFEDHN
C=C[C@H](CC(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1	ZINC000129952260	426142419	/nfs/dbraw/zinc/14/24/19/426142419.db2.gz	BAYSPBYFFMDGMK-AEFFLSMTSA-N	0	3	316.445	2.573	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccs1	ZINC000130020526	426145114	/nfs/dbraw/zinc/14/51/14/426145114.db2.gz	LZWCNLTYXBOMEC-JSGCOSHPSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(OCC#N)cc1	ZINC000170715126	426146927	/nfs/dbraw/zinc/14/69/27/426146927.db2.gz	LMNAEDZCTKNLEE-OLZOCXBDSA-N	0	3	303.406	2.543	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCc3ccccc3[C@@H]2CO)c1	ZINC000130219266	426151511	/nfs/dbraw/zinc/15/15/11/426151511.db2.gz	SXJKWYSPHAOJFJ-FQEVSTJZSA-N	0	3	322.408	2.919	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@H]1CCC[C@H]1c1ccccc1	ZINC000133628711	426183435	/nfs/dbraw/zinc/18/34/35/426183435.db2.gz	MUNWXUOCLDZYJP-ROUUACIJSA-N	0	3	324.428	2.568	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CCC(C)(C)C)CC1	ZINC000079216046	426190602	/nfs/dbraw/zinc/19/06/02/426190602.db2.gz	RVCVQDPOEQRBPZ-QGZVFWFLSA-N	0	3	323.525	2.853	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccncc1)C(C)C	ZINC000079440380	426192857	/nfs/dbraw/zinc/19/28/57/426192857.db2.gz	GEBBTWYEJYBCQQ-MRXNPFEDSA-N	0	3	302.422	2.902	20	30		DFEDHN
C=CCOCCCC(=O)NCCCN1CCc2ccccc2C1	ZINC000079502998	426194458	/nfs/dbraw/zinc/19/44/58/426194458.db2.gz	FVGZXILXHUBKFG-UHFFFAOYSA-N	0	3	316.445	2.534	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000079495703	426195009	/nfs/dbraw/zinc/19/50/09/426195009.db2.gz	CQKNXEKIZZLCPU-QGZVFWFLSA-N	0	3	316.449	2.676	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2OC)CC1	ZINC000171715047	426206534	/nfs/dbraw/zinc/20/65/34/426206534.db2.gz	XRFLTGBXUIPEKB-OAHLLOKOSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CCc3ccccc32)CC1	ZINC000171907834	426218367	/nfs/dbraw/zinc/21/83/67/426218367.db2.gz	FPINSXPGTPUBLL-INIZCTEOSA-N	0	3	313.445	2.666	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000118818513	426246709	/nfs/dbraw/zinc/24/67/09/426246709.db2.gz	IIGCOJQVZXKVSS-LBPRGKRZSA-N	0	3	304.369	2.503	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccccc1O)C(C)C	ZINC000084926535	426246938	/nfs/dbraw/zinc/24/69/38/426246938.db2.gz	ANXIQJNBHXWCCQ-KRWDZBQOSA-N	0	3	316.445	2.750	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000137109192	426251334	/nfs/dbraw/zinc/25/13/34/426251334.db2.gz	BSSUXFQEUJJNSO-GFCCVEGCSA-N	0	3	309.360	2.543	20	30		DFEDHN
C[C@H](NCc1ccc(-n2cncn2)cc1)c1cccc(C#N)c1	ZINC000174431150	426255923	/nfs/dbraw/zinc/25/59/23/426255923.db2.gz	CFWATCWIVAFWFX-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
COc1cccc(CNCCOc2ccc(C#N)cc2)c1OC	ZINC000174561082	426259555	/nfs/dbraw/zinc/25/95/55/426259555.db2.gz	URHMANRKCVMFLQ-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000119140968	426264845	/nfs/dbraw/zinc/26/48/45/426264845.db2.gz	JQTMDUDUJNIHPD-GOEBONIOSA-N	0	3	322.412	2.669	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1	ZINC000171725459	426207506	/nfs/dbraw/zinc/20/75/06/426207506.db2.gz	IWNXXANVJNYFAT-UHFFFAOYSA-N	0	3	310.800	2.788	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC)Cc2ccccc2)CC1	ZINC000171733523	426208114	/nfs/dbraw/zinc/20/81/14/426208114.db2.gz	OYHHWMIIROUMFZ-KRWDZBQOSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2c(C)noc2CC)CC1	ZINC000089440051	426290928	/nfs/dbraw/zinc/29/09/28/426290928.db2.gz	LCQPRSJRWJYWRY-UHFFFAOYSA-N	0	3	306.410	2.707	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)cc1	ZINC000120680817	426314125	/nfs/dbraw/zinc/31/41/25/426314125.db2.gz	INMSWFMZFFZDTO-SJLPKXTDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C[C@@H](c1cc(F)ccc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089943653	426321409	/nfs/dbraw/zinc/32/14/09/426321409.db2.gz	OEZSNVTTYMGUAV-JTQLQIEISA-N	0	3	319.359	2.767	20	30		DFEDHN
N#Cc1ccc(OCCCN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152191666	426330691	/nfs/dbraw/zinc/33/06/91/426330691.db2.gz	HKVQSRLHNPBMTI-LJQANCHMSA-N	0	3	323.396	2.875	20	30		DFEDHN
CC[C@H](CSC)N(C)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000091098950	426340657	/nfs/dbraw/zinc/34/06/57/426340657.db2.gz	CYZJYFYPUFULET-CQSZACIVSA-N	0	3	311.495	2.745	20	30		DFEDHN
COC(=O)[C@H](C)CN(C)Cc1cccc(OCCCC#N)c1	ZINC000091985758	426347012	/nfs/dbraw/zinc/34/70/12/426347012.db2.gz	RYUFBMGGNALBTO-CQSZACIVSA-N	0	3	304.390	2.610	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(C(C)C)c2C)CC1	ZINC000092415891	426349647	/nfs/dbraw/zinc/34/96/47/426349647.db2.gz	XDQUIRNTBPEPDN-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000092800810	426352381	/nfs/dbraw/zinc/35/23/81/426352381.db2.gz	JDXYRZSAGOSFPA-OWCLPIDISA-N	0	3	313.449	2.685	20	30		DFEDHN
CC(C)(CCC#N)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000093534936	426356083	/nfs/dbraw/zinc/35/60/83/426356083.db2.gz	LILLALDCRXWDTG-CYBMUJFWSA-N	0	3	317.393	2.806	20	30		DFEDHN
N#CC(C(=O)c1cccnc1OCC(F)(F)F)c1ccccn1	ZINC000121979316	426356831	/nfs/dbraw/zinc/35/68/31/426356831.db2.gz	LHUPIOSLKKCLMF-NSHDSACASA-N	0	3	321.258	2.908	20	30		DFEDHN
CCOC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000122111139	426358652	/nfs/dbraw/zinc/35/86/52/426358652.db2.gz	QMWPSFNWKYTVCJ-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
C#CCOc1ccc(CNC[C@@](C)(O)c2cccs2)cc1	ZINC000152991077	426364547	/nfs/dbraw/zinc/36/45/47/426364547.db2.gz	NQYNLNXYEZMOPD-QGZVFWFLSA-N	0	3	301.411	2.757	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1C	ZINC000176330490	426370939	/nfs/dbraw/zinc/37/09/39/426370939.db2.gz	IKTCZFUAHJYWMZ-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1	ZINC000176545806	426391620	/nfs/dbraw/zinc/39/16/20/426391620.db2.gz	UAPAITBCZFUFEA-UHFFFAOYSA-N	0	3	302.422	2.804	20	30		DFEDHN
CN(C)CCOc1ccc(CNCc2ccc(C#N)s2)cc1	ZINC000176949545	426426997	/nfs/dbraw/zinc/42/69/97/426426997.db2.gz	KLYWGOXTCSQJCP-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
COc1cccc2c1OC[C@H](NCc1ccc(C#N)s1)C2	ZINC000176962155	426428310	/nfs/dbraw/zinc/42/83/10/426428310.db2.gz	QCSLRNJVQMNOCD-GFCCVEGCSA-N	0	3	300.383	2.722	20	30		DFEDHN
CCCNC(=O)C1(NCc2ccc(C#N)s2)CCCCC1	ZINC000154541823	426445168	/nfs/dbraw/zinc/44/51/68/426445168.db2.gz	YNLRHQMZYFQZRP-UHFFFAOYSA-N	0	3	305.447	2.938	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1cccc(C#N)c1	ZINC000341272657	269056791	/nfs/dbraw/zinc/05/67/91/269056791.db2.gz	ZAFFCYQGVVYDOY-OKILXGFUSA-N	0	3	300.406	2.943	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000097103535	426449811	/nfs/dbraw/zinc/44/98/11/426449811.db2.gz	FURCEIDBIVWQCG-ZHALLVOQSA-N	0	3	313.445	2.967	20	30		DFEDHN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](N)CCC)cc1	ZINC000154755535	426453983	/nfs/dbraw/zinc/45/39/83/426453983.db2.gz	YNNWZGWNPNCVSV-MRXNPFEDSA-N	0	3	315.417	2.567	20	30		DFEDHN
N#Cc1cccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000177287552	426463716	/nfs/dbraw/zinc/46/37/16/426463716.db2.gz	YFEQOWACHBGRPF-LESCRADOSA-N	0	3	309.413	2.505	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CCc1ccccn1	ZINC000124427725	426483920	/nfs/dbraw/zinc/48/39/20/426483920.db2.gz	GILMRDISISOKGA-UHFFFAOYSA-N	0	3	311.385	2.515	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000280143965	426506507	/nfs/dbraw/zinc/50/65/07/426506507.db2.gz	AGTULYAIWPIXJG-IBGZPJMESA-N	0	3	317.392	2.908	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000186375045	426514341	/nfs/dbraw/zinc/51/43/41/426514341.db2.gz	YDHNGBFVVSYSIL-IAGOWNOFSA-N	0	3	315.417	2.680	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2ccc(F)cc2C#N)CC1	ZINC000186386360	426517103	/nfs/dbraw/zinc/51/71/03/426517103.db2.gz	HVRLTCQSDIAXLN-GFCCVEGCSA-N	0	3	319.380	2.654	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(C#N)cc1	ZINC000177766420	426518477	/nfs/dbraw/zinc/51/84/77/426518477.db2.gz	YMFTZKHTUPIDRP-MSOLQXFVSA-N	0	3	311.429	2.576	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cc3ccccc3[nH]2)CC1	ZINC000264448332	426555000	/nfs/dbraw/zinc/55/50/00/426555000.db2.gz	YGUBBBYLYRWQMB-UHFFFAOYSA-N	0	3	312.417	2.618	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CCN1C	ZINC000177924084	426539123	/nfs/dbraw/zinc/53/91/23/426539123.db2.gz	PBBHOBZKUFDORR-FZMZJTMJSA-N	0	3	304.369	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3c2cccc3F)CC1	ZINC000264397863	426547376	/nfs/dbraw/zinc/54/73/76/426547376.db2.gz	LPJPBHHYPJSAJF-KRWDZBQOSA-N	0	3	317.408	2.763	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000272525383	426548330	/nfs/dbraw/zinc/54/83/30/426548330.db2.gz	DSEPQEYXZJTVJX-RHSMWYFYSA-N	0	3	317.433	2.502	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000186169835	426490704	/nfs/dbraw/zinc/49/07/04/426490704.db2.gz	DVPLAOYWZQJZBI-GOSISDBHSA-N	0	3	311.429	2.605	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C	ZINC000177532527	426493048	/nfs/dbraw/zinc/49/30/48/426493048.db2.gz	FFZHMDZJDXMFFX-RYRKJORJSA-N	0	3	313.445	2.873	20	30		DFEDHN
CN1CCN(Cc2cccc(NCc3ccc(C#N)o3)c2)CC1	ZINC000177555700	426494960	/nfs/dbraw/zinc/49/49/60/426494960.db2.gz	NIAHOFHRBMDDKL-UHFFFAOYSA-N	0	3	310.401	2.511	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H](CC(C)C)CN(C)C	ZINC000194919307	426496296	/nfs/dbraw/zinc/49/62/96/426496296.db2.gz	BIBWYMPYJATLRW-HNNXBMFYSA-N	0	3	304.434	2.958	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)CC(C)(C)CN1CCOCC1	ZINC000186311279	426501797	/nfs/dbraw/zinc/50/17/97/426501797.db2.gz	VAUHQOMRXAELAL-UHFFFAOYSA-N	0	3	315.461	2.657	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CCC(C#N)CC2)C1	ZINC000195165496	426504666	/nfs/dbraw/zinc/50/46/66/426504666.db2.gz	HXNXPLYOMTUDMN-KRWDZBQOSA-N	0	3	307.438	2.869	20	30		DFEDHN
Cc1cc(C#N)ccc1CNC(C)(C)C(=O)NCC(C)(C)C	ZINC000186316358	426504849	/nfs/dbraw/zinc/50/48/49/426504849.db2.gz	OHNVWLQZEKGMDM-UHFFFAOYSA-N	0	3	301.434	2.897	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000186630571	426566992	/nfs/dbraw/zinc/56/69/92/426566992.db2.gz	QAMFMGOHYKTDFM-OAHLLOKOSA-N	0	3	311.429	2.954	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C	ZINC000186712280	426582476	/nfs/dbraw/zinc/58/24/76/426582476.db2.gz	BIUNBDRGGRBWKQ-DOMZBBRYSA-N	0	3	303.381	2.907	20	30		DFEDHN
C=C(C)CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000280519228	426590259	/nfs/dbraw/zinc/59/02/59/426590259.db2.gz	FRFCXIZQGUXKGC-NVXWUHKLSA-N	0	3	322.474	2.535	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@H](CO)c2ccccc2)cc1	ZINC000265223304	426600750	/nfs/dbraw/zinc/60/07/50/426600750.db2.gz	HJQPPEIKEMRUNI-LJQANCHMSA-N	0	3	309.413	2.860	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)cc2OC)CCCC1	ZINC000280584927	426607682	/nfs/dbraw/zinc/60/76/82/426607682.db2.gz	WHGSVGLJMVUNQN-UHFFFAOYSA-N	0	3	302.374	2.532	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nc(C(C)(C)C)ns2)CC1	ZINC000265338968	426621847	/nfs/dbraw/zinc/62/18/47/426621847.db2.gz	XTPIMPJHLYVVEG-UHFFFAOYSA-N	0	3	323.466	2.608	20	30		DFEDHN
CC[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1CCOC	ZINC000186971296	426616349	/nfs/dbraw/zinc/61/63/49/426616349.db2.gz	JYIBDZHALQHPQM-KRWDZBQOSA-N	0	3	321.852	2.754	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-c3cnco3)cc2)CC1	ZINC000264471384	426559837	/nfs/dbraw/zinc/55/98/37/426559837.db2.gz	IYMCNSPKDIFATA-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OC)c(OC)c1OC	ZINC000280717387	426640811	/nfs/dbraw/zinc/64/08/11/426640811.db2.gz	URKGTYXVFNFCPX-GOEBONIOSA-N	0	3	321.417	2.783	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccc(F)cc1F	ZINC000289380408	426640980	/nfs/dbraw/zinc/64/09/80/426640980.db2.gz	CIIOZVOMXQDYMV-UHFFFAOYSA-N	0	3	319.355	2.993	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](COC)C1	ZINC000265768813	426686458	/nfs/dbraw/zinc/68/64/58/426686458.db2.gz	IJAXBCAYVMIXTE-CABCVRRESA-N	0	3	322.474	2.620	20	30		DFEDHN
N#Cc1ccc(N2CCN(CC3CCOCC3)CC2)cc1Cl	ZINC000265477525	426644403	/nfs/dbraw/zinc/64/44/03/426644403.db2.gz	FYJIWGYNNUMDFL-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C	ZINC000187298703	426647726	/nfs/dbraw/zinc/64/77/26/426647726.db2.gz	UJUKRBIJMCXQKN-RHSMWYFYSA-N	0	3	311.429	2.531	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C	ZINC000187298763	426648393	/nfs/dbraw/zinc/64/83/93/426648393.db2.gz	UJUKRBIJMCXQKN-YOEHRIQHSA-N	0	3	311.429	2.531	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccnc(F)c1F)C(C)C	ZINC000280825765	426664599	/nfs/dbraw/zinc/66/45/99/426664599.db2.gz	IDSXFFXYAQMUSU-AWEZNQCLSA-N	0	3	323.387	2.788	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1C#N	ZINC000273236125	426623233	/nfs/dbraw/zinc/62/32/33/426623233.db2.gz	FETRAXOYVZEOPE-CVEARBPZSA-N	0	3	302.418	2.796	20	30		DFEDHN
C[C@H](c1ccccc1)[C@H](C)NCC(=O)NCc1ccc(C#N)cc1	ZINC000273242605	426624257	/nfs/dbraw/zinc/62/42/57/426624257.db2.gz	FXDLAGVQILYBLB-HOTGVXAUSA-N	0	3	321.424	2.956	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCc1cccc(OCCN(C)C)c1	ZINC000281110247	426702880	/nfs/dbraw/zinc/70/28/80/426702880.db2.gz	ZCVADJXGCJVFCV-INIZCTEOSA-N	0	3	319.449	2.781	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CCCCCOc2ccccc2)C1=O	ZINC000281201656	426704310	/nfs/dbraw/zinc/70/43/10/426704310.db2.gz	JBXMKVOEWGUKQY-GOSISDBHSA-N	0	3	316.445	2.954	20	30		DFEDHN
C=CCc1cc(CNC[C@H](O)c2ccc(C)o2)cc(OC)c1O	ZINC000265943301	426716082	/nfs/dbraw/zinc/71/60/82/426716082.db2.gz	GFOJEQCRJJDEJK-HNNXBMFYSA-N	0	3	317.385	2.854	20	30		DFEDHN
C=C(C)[C@@H](N[C@H](C)CN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187773947	426694089	/nfs/dbraw/zinc/69/40/89/426694089.db2.gz	LWNYNTSUSIVSCU-CXAGYDPISA-N	0	3	310.388	2.892	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000265840342	426699279	/nfs/dbraw/zinc/69/92/79/426699279.db2.gz	GBCZNEXKUQPRNG-CGTJXYLNSA-N	0	3	320.477	2.713	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000266726024	426769493	/nfs/dbraw/zinc/76/94/93/426769493.db2.gz	UPUJXRUVRIFTLG-HNJNHCNJSA-N	0	3	315.417	2.678	20	30		DFEDHN
COc1cc(CN[C@H]2CCN(c3ccccc3)C2)ccc1C#N	ZINC000281828465	426774997	/nfs/dbraw/zinc/77/49/97/426774997.db2.gz	XMYWOADXRSZXGS-KRWDZBQOSA-N	0	3	307.397	2.935	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000245932097	426784859	/nfs/dbraw/zinc/78/48/59/426784859.db2.gz	VMISBCWIEDRXEA-RHSMWYFYSA-N	0	3	311.429	2.700	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)cc1	ZINC000188111614	426724327	/nfs/dbraw/zinc/72/43/27/426724327.db2.gz	VFFOGHYJMIQUFF-QAPCUYQASA-N	0	3	315.413	2.720	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)ccc1C#N	ZINC000281606198	426728461	/nfs/dbraw/zinc/72/84/61/426728461.db2.gz	GFUFZXZMEMJGGF-SGTLLEGYSA-N	0	3	314.360	2.918	20	30		DFEDHN
COc1cc(CNCCc2nc(C)c(C)s2)ccc1C#N	ZINC000281691504	426746132	/nfs/dbraw/zinc/74/61/32/426746132.db2.gz	NDTBFWCWHGSTSQ-UHFFFAOYSA-N	0	3	301.415	2.973	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccncc2)cc1	ZINC000245603696	426755607	/nfs/dbraw/zinc/75/56/07/426755607.db2.gz	JOZQGFPELBDQNP-MJGOQNOKSA-N	0	3	323.396	2.530	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000281742136	426756307	/nfs/dbraw/zinc/75/63/07/426756307.db2.gz	OURYBWRNMMUKGS-KRWDZBQOSA-N	0	3	315.461	2.670	20	30		DFEDHN
C=C[C@@H](CC(=O)NC[C@H]1CCCN1CCOC)c1ccccc1	ZINC000245609165	426758285	/nfs/dbraw/zinc/75/82/85/426758285.db2.gz	BAYSPBYFFMDGMK-FUHWJXTLSA-N	0	3	316.445	2.573	20	30		DFEDHN
COc1cc(CNC[C@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000281785848	426764221	/nfs/dbraw/zinc/76/42/21/426764221.db2.gz	UAKBQSSMPQBPOF-GOSISDBHSA-N	0	3	309.413	2.959	20	30		DFEDHN
C=CCCCCNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000274626430	426806137	/nfs/dbraw/zinc/80/61/37/426806137.db2.gz	XZYISJCUPFZIRG-UHFFFAOYSA-N	0	3	316.449	2.954	20	30		DFEDHN
CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000274626594	426806145	/nfs/dbraw/zinc/80/61/45/426806145.db2.gz	NXJMJXOIOVVKJI-SMDDNHRTSA-N	0	3	305.353	2.579	20	30		DFEDHN
CCN1CC[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000246187508	426806770	/nfs/dbraw/zinc/80/67/70/426806770.db2.gz	OHCNTFIXCVYNPU-XHDPSFHLSA-N	0	3	321.371	2.639	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)c2cccc(F)c2C#N)c1	ZINC000188988065	426807164	/nfs/dbraw/zinc/80/71/64/426807164.db2.gz	DFVJNRMXJYTNGV-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC	ZINC000267006331	426809686	/nfs/dbraw/zinc/80/96/86/426809686.db2.gz	CEWNHEPGCMPVFC-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267089325	426823220	/nfs/dbraw/zinc/82/32/20/426823220.db2.gz	UMKSHTLTRJNHCF-LBPRGKRZSA-N	0	3	312.339	2.893	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1C#N	ZINC000267189254	426842541	/nfs/dbraw/zinc/84/25/41/426842541.db2.gz	MALBEZFSGOEVHW-XIKOKIGWSA-N	0	3	314.360	2.918	20	30		DFEDHN
Cn1cc(CN2CC[C@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180240178	426845870	/nfs/dbraw/zinc/84/58/70/426845870.db2.gz	QZVDAUARCQILDH-IBGZPJMESA-N	0	3	322.412	2.571	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(F)cc2)s1	ZINC000267213071	426847429	/nfs/dbraw/zinc/84/74/29/426847429.db2.gz	REALOJQSYFMSQV-ZDUSSCGKSA-N	0	3	304.390	2.700	20	30		DFEDHN
C#C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282721927	426921981	/nfs/dbraw/zinc/92/19/81/426921981.db2.gz	KTCNHLROFSLZEI-DOTOQJQBSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000247273476	426924335	/nfs/dbraw/zinc/92/43/35/426924335.db2.gz	JZQLEHCCSQLYRG-GDBMZVCRSA-N	0	3	302.418	2.710	20	30		DFEDHN
COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1C#N	ZINC000282311359	426878641	/nfs/dbraw/zinc/87/86/41/426878641.db2.gz	MZOSXIXHRRMYFH-PBHICJAKSA-N	0	3	310.401	2.846	20	30		DFEDHN
C=CCSCCNC(=O)Nc1ccccc1CCN(C)C	ZINC000275636122	426882692	/nfs/dbraw/zinc/88/26/92/426882692.db2.gz	LIDNAVJLCCVFDH-UHFFFAOYSA-N	0	3	307.463	2.831	20	30		DFEDHN
Cc1nc(CON=C(N)c2ccc(CN(C)C)cc2)sc1C	ZINC000268010112	426890152	/nfs/dbraw/zinc/89/01/52/426890152.db2.gz	QPAMCGLXIOWAOH-UHFFFAOYSA-N	0	3	318.446	2.659	20	30		DFEDHN
CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000291478363	426892058	/nfs/dbraw/zinc/89/20/58/426892058.db2.gz	LEYUUNMGIOTPQS-QGZVFWFLSA-N	0	3	303.381	2.734	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1	ZINC000189694675	426926241	/nfs/dbraw/zinc/92/62/41/426926241.db2.gz	HEQDUIUZCQQCQF-ZDUSSCGKSA-N	0	3	317.437	2.626	20	30		DFEDHN
COc1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)ccc1C#N	ZINC000282419974	426907433	/nfs/dbraw/zinc/90/74/33/426907433.db2.gz	SPODLGOXRFYUEC-WMZOPIPTSA-N	0	3	300.402	2.694	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CSCC#N)[C@H]1c1cccs1	ZINC000247152633	426910308	/nfs/dbraw/zinc/91/03/08/426910308.db2.gz	AFCJCZFIUFQHFS-DOMZBBRYSA-N	0	3	323.487	2.504	20	30		DFEDHN
C=CCC(CC=C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000268201615	426947000	/nfs/dbraw/zinc/94/70/00/426947000.db2.gz	MWDVTFWXBWPEPO-IYBDPMFKSA-N	0	3	308.466	2.760	20	30		DFEDHN
N#Cc1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)[nH]1	ZINC000337737539	426947001	/nfs/dbraw/zinc/94/70/01/426947001.db2.gz	QIJJWRKDYZLLDJ-UHFFFAOYSA-N	0	3	314.433	2.662	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O	ZINC000295421999	426950672	/nfs/dbraw/zinc/95/06/72/426950672.db2.gz	CMSQAUNXAYZHTM-UWWQBHOKSA-N	0	3	319.408	2.900	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN(C2CC2)C1	ZINC000295446851	426962246	/nfs/dbraw/zinc/96/22/46/426962246.db2.gz	APVXEUZLFWNVET-PPYMECGQSA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCn1c(N2CC[C@H](N3CCCCC3)C2)nnc1C(C)(C)C	ZINC000337806286	426978491	/nfs/dbraw/zinc/97/84/91/426978491.db2.gz	HXKDAJCUKGXJSS-HNNXBMFYSA-N	0	3	317.481	2.826	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000276123274	426992020	/nfs/dbraw/zinc/99/20/20/426992020.db2.gz	HDSURABEYZMTDT-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
CN(C(=O)CNC(=O)C1CCN(C2CC2)CC1)C1CCCCC1	ZINC000328744389	426992985	/nfs/dbraw/zinc/99/29/85/426992985.db2.gz	KMTKBWDYRBYMNG-UHFFFAOYSA-N	0	3	321.465	2.608	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337834023	426993181	/nfs/dbraw/zinc/99/31/81/426993181.db2.gz	BEUFHEJCTDMETI-OAHLLOKOSA-N	0	3	305.470	2.583	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C1CC1	ZINC000291806713	426993316	/nfs/dbraw/zinc/99/33/16/426993316.db2.gz	BEORRIOBLIRONG-IAGOWNOFSA-N	0	3	307.397	2.888	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H](CN2CCOCC2)c2ccccc2)C1	ZINC000248890007	427059035	/nfs/dbraw/zinc/05/90/35/427059035.db2.gz	SOLWQDPLDRAYAX-BHIYHBOVSA-N	0	3	313.445	2.732	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)N1CCCCC1	ZINC000329188070	427061205	/nfs/dbraw/zinc/06/12/05/427061205.db2.gz	QYHUQVBEEOYOGP-XJKSGUPXSA-N	0	3	304.438	2.734	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)N1CCCCC1	ZINC000329188070	427061210	/nfs/dbraw/zinc/06/12/10/427061210.db2.gz	QYHUQVBEEOYOGP-XJKSGUPXSA-N	0	3	304.438	2.734	20	30		DFEDHN
CN1CCC(O)(CNC(=O)Nc2cccc3ccsc32)CC1	ZINC000328823635	427001265	/nfs/dbraw/zinc/00/12/65/427001265.db2.gz	PMRZHLZUPNHKSZ-UHFFFAOYSA-N	0	3	319.430	2.684	20	30		DFEDHN
COCCOCCN(CCCSCC#N)Cc1ccccc1	ZINC000268386448	427002745	/nfs/dbraw/zinc/00/27/45/427002745.db2.gz	ZIFCVWFESHAXQR-UHFFFAOYSA-N	0	3	322.474	2.798	20	30		DFEDHN
Cc1nsc(NC2CC2)c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000328844831	427004312	/nfs/dbraw/zinc/00/43/12/427004312.db2.gz	RGXQBUPGQZBNPB-JOYOIKCWSA-N	0	3	308.451	2.813	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCn2cc(C)nc21	ZINC000328850162	427004596	/nfs/dbraw/zinc/00/45/96/427004596.db2.gz	WKPZZJOQXDRUJP-HUUCEWRRSA-N	0	3	304.438	2.900	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccnc(OC3CCC3)c2)CCN1C	ZINC000328853336	427005323	/nfs/dbraw/zinc/00/53/23/427005323.db2.gz	CBLLCSLRGGIMSB-TZMCWYRMSA-N	0	3	303.406	2.800	20	30		DFEDHN
COCC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000337866559	427009472	/nfs/dbraw/zinc/00/94/72/427009472.db2.gz	QMURQTMEXGTCCE-BBRMVZONSA-N	0	3	317.433	2.926	20	30		DFEDHN
N#Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-]	ZINC000268470811	427027680	/nfs/dbraw/zinc/02/76/80/427027680.db2.gz	JECZHOUTCUZDQB-HNNXBMFYSA-N	0	3	323.356	2.548	20	30		DFEDHN
Cc1nc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000291997448	427050062	/nfs/dbraw/zinc/05/00/62/427050062.db2.gz	RBJXKUNPBKTZAF-OKILXGFUSA-N	0	3	302.422	2.563	20	30		DFEDHN
CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)C1	ZINC000329505677	427128355	/nfs/dbraw/zinc/12/83/55/427128355.db2.gz	LJGRRLPLAFLNGW-ZBFHGGJFSA-N	0	3	321.465	2.632	20	30		DFEDHN
C[C@@H]1CC[C@@H](CN2CCCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000190298037	427068071	/nfs/dbraw/zinc/06/80/71/427068071.db2.gz	NKLSEZSMTZOWIP-APWZRJJASA-N	0	3	313.445	2.633	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc2c1OCO2	ZINC000329229294	427070715	/nfs/dbraw/zinc/07/07/15/427070715.db2.gz	CMIIMLKGLGZNDA-STQMWFEESA-N	0	3	317.389	2.519	20	30		DFEDHN
CN1CCN(C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc21	ZINC000268623674	427071833	/nfs/dbraw/zinc/07/18/33/427071833.db2.gz	OFZFBPVWUDSVBF-LJQANCHMSA-N	0	3	307.397	2.544	20	30		DFEDHN
CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21	ZINC000268631552	427075133	/nfs/dbraw/zinc/07/51/33/427075133.db2.gz	BUIAUCSSRMZBNG-VQTJNVASSA-N	0	3	322.408	2.837	20	30		DFEDHN
N#Cc1ccnc(NCc2ccc(CN3CCC(O)CC3)cc2)c1	ZINC000283789054	427075102	/nfs/dbraw/zinc/07/51/02/427075102.db2.gz	RSOXYYRDONIQKH-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
COCCN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000268644432	427077318	/nfs/dbraw/zinc/07/73/18/427077318.db2.gz	UARVTJLAGMOABH-IBGZPJMESA-N	0	3	310.397	2.740	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)C1=CCN(C)CC1	ZINC000329267121	427077955	/nfs/dbraw/zinc/07/79/55/427077955.db2.gz	DCBUPZXBQOUWSK-NUEKZKHPSA-N	0	3	323.481	2.734	20	30		DFEDHN
CC(=O)NCc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)s1	ZINC000329349801	427095568	/nfs/dbraw/zinc/09/55/68/427095568.db2.gz	SUAZOARRERWRPY-LLVKDONJSA-N	0	3	321.446	2.605	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)CCC(=O)N2	ZINC000276566618	427100473	/nfs/dbraw/zinc/10/04/73/427100473.db2.gz	AUAFNXRCMZAUQE-LBPRGKRZSA-N	0	3	308.385	2.632	20	30		DFEDHN
Cc1ocnc1CNC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000329384012	427105328	/nfs/dbraw/zinc/10/53/28/427105328.db2.gz	OVEFSORDVAHTHX-UHFFFAOYSA-N	0	3	320.437	2.595	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@H](C)N1CCC(C)CC1)C2	ZINC000329449831	427117730	/nfs/dbraw/zinc/11/77/30/427117730.db2.gz	DKXAVBWBEROOEN-HOCLYGCPSA-N	0	3	318.465	2.831	20	30		DFEDHN
COCc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292206351	427131139	/nfs/dbraw/zinc/13/11/39/427131139.db2.gz	OBERFAXMRQEPDP-GOSISDBHSA-N	0	3	323.396	2.753	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C12CCCC2	ZINC000329568304	427142927	/nfs/dbraw/zinc/14/29/27/427142927.db2.gz	HZLJDFYRFKGHHM-FPMFFAJLSA-N	0	3	323.437	2.735	20	30		DFEDHN
N#Cc1cccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1	ZINC000277293953	427154604	/nfs/dbraw/zinc/15/46/04/427154604.db2.gz	ZUOLJZVGDSRMJH-SFHVURJKSA-N	0	3	322.412	2.656	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000277301870	427156942	/nfs/dbraw/zinc/15/69/42/427156942.db2.gz	AZYXRVXWXCBHHP-FQEVSTJZSA-N	0	3	322.452	2.820	20	30		DFEDHN
C[C@@H]1CC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H](C)O1	ZINC000329511630	427130731	/nfs/dbraw/zinc/13/07/31/427130731.db2.gz	KRGITKKNUXWNLR-CPUCHLNUSA-N	0	3	323.481	2.711	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@@H](C)N(C2CC2)C1=O)C(C)C	ZINC000277333812	427167080	/nfs/dbraw/zinc/16/70/80/427167080.db2.gz	MRGBSERUUNGEAA-GDBMZVCRSA-N	0	3	319.449	2.500	20	30		DFEDHN
CCc1[nH]ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000284955356	427198928	/nfs/dbraw/zinc/19/89/28/427198928.db2.gz	CAEBFEVOJNJTMM-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
Cc1nc(N2CCC[C@H]3CN(C)CC[C@@H]32)c(Cl)cc1C#N	ZINC000292816755	427202317	/nfs/dbraw/zinc/20/23/17/427202317.db2.gz	ZJUIRHAYVDDDLW-WFASDCNBSA-N	0	3	304.825	2.836	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000253382852	427203145	/nfs/dbraw/zinc/20/31/45/427203145.db2.gz	JLUNTNZRJHPLQK-NUJGCVRESA-N	0	3	316.445	2.919	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(F)cc2)c(F)c1	ZINC000269470334	427205326	/nfs/dbraw/zinc/20/53/26/427205326.db2.gz	ZSSJOMMDEJBPLO-HNNXBMFYSA-N	0	3	316.351	2.777	20	30		DFEDHN
COCC1(C)CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000330662054	427283824	/nfs/dbraw/zinc/28/38/24/427283824.db2.gz	WBAWZELFOVLARE-UHFFFAOYSA-N	0	3	321.446	2.697	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(C)nc2C(C)C)CC1	ZINC000330662247	427285071	/nfs/dbraw/zinc/28/50/71/427285071.db2.gz	SCVNAKSIZHLVJE-UHFFFAOYSA-N	0	3	304.438	2.889	20	30		DFEDHN
COc1ccc(F)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1OC	ZINC000330394063	427228870	/nfs/dbraw/zinc/22/88/70/427228870.db2.gz	QVGWJFORXDCNBE-WDEREUQCSA-N	0	3	310.369	2.630	20	30		DFEDHN
C[C@H]1COCC[C@@H]1NCc1cc(C#N)ccc1Br	ZINC000277566706	427246351	/nfs/dbraw/zinc/24/63/51/427246351.db2.gz	USUTYYCHLCRBBF-HZMBPMFUSA-N	0	3	309.207	2.835	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(Cl)nc2)CC1	ZINC000255238812	427253368	/nfs/dbraw/zinc/25/33/68/427253368.db2.gz	NMZJDACFUUCIDU-XQRVVYSFSA-N	0	3	319.836	2.905	20	30		DFEDHN
N#Cc1cccc(/C=C/C(=O)NC[C@H]2CCCCN2C2CC2)c1	ZINC000277616374	427261161	/nfs/dbraw/zinc/26/11/61/427261161.db2.gz	VUORUYOSIWOGJH-RUJXFNLJSA-N	0	3	309.413	2.705	20	30		DFEDHN
CCc1ccc(NC(=O)NC2CCN(CCOC)CC2)cc1C	ZINC000330614230	427274976	/nfs/dbraw/zinc/27/49/76/427274976.db2.gz	ZXEPNSANKGRYMT-UHFFFAOYSA-N	0	3	319.449	2.994	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN1CC(=O)NC(=O)Nc1ccccc1	ZINC000330615438	427275145	/nfs/dbraw/zinc/27/51/45/427275145.db2.gz	CLMSGXJCBBHBBG-CQSZACIVSA-N	0	3	303.406	2.859	20	30		DFEDHN
C[C@H]1CC[C@H](C(N)=O)CN1CCC(=O)Nc1sccc1C#N	ZINC000330662840	427287347	/nfs/dbraw/zinc/28/73/47/427287347.db2.gz	DMUZSXIDAKKWKX-JQWIXIFHSA-N	0	3	320.418	2.584	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1	ZINC000285587091	427281770	/nfs/dbraw/zinc/28/17/70/427281770.db2.gz	HPMREYBXZCQCFG-NHYWBVRUSA-N	0	3	305.809	2.670	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cccn2)cc1	ZINC000191253170	427301434	/nfs/dbraw/zinc/30/14/34/427301434.db2.gz	NZAGDHLLSYXAPJ-CQSZACIVSA-N	0	3	305.385	2.933	20	30		DFEDHN
C[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)C1=CCN(C)CC1	ZINC000330788939	427304185	/nfs/dbraw/zinc/30/41/85/427304185.db2.gz	RGBQSAWHYVPHIE-GFCCVEGCSA-N	0	3	305.426	2.614	20	30		DFEDHN
C[C@H](NC(=O)Nc1cnn(C(C)(C)C)c1)C1=CCN(C)CC1	ZINC000330788940	427306216	/nfs/dbraw/zinc/30/62/16/427306216.db2.gz	RGBQSAWHYVPHIE-LBPRGKRZSA-N	0	3	305.426	2.614	20	30		DFEDHN
CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC	ZINC000330915434	427312594	/nfs/dbraw/zinc/31/25/94/427312594.db2.gz	UGIBZNYCJUOBMI-TZMCWYRMSA-N	0	3	306.406	2.881	20	30		DFEDHN
COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(OC)c1C	ZINC000330896228	427315419	/nfs/dbraw/zinc/31/54/19/427315419.db2.gz	GULRWMRVZHEZLW-BXUZGUMPSA-N	0	3	306.406	2.800	20	30		DFEDHN
CC(=O)Nc1nc(C(=O)NCCN2CCCC(C)(C)C2)cs1	ZINC000330991726	427324730	/nfs/dbraw/zinc/32/47/30/427324730.db2.gz	SJHVMKOAHRQIOF-UHFFFAOYSA-N	0	3	324.450	2.528	20	30		DFEDHN
N#Cc1ccccc1/C=C/C(=O)NC[C@H]1CCCCN1C1CC1	ZINC000277840307	427335669	/nfs/dbraw/zinc/33/56/69/427335669.db2.gz	ITXOFGUBZPSMID-VEGGFIAOSA-N	0	3	309.413	2.705	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCN(c2ccccc2)C1	ZINC000191380547	427336982	/nfs/dbraw/zinc/33/69/82/427336982.db2.gz	OOKRIBIPSDSSNC-GOSISDBHSA-N	0	3	308.429	2.998	20	30		DFEDHN
COc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1C	ZINC000331083603	427340049	/nfs/dbraw/zinc/34/00/49/427340049.db2.gz	NBKHRLKFRIZMQI-ZWNOBZJWSA-N	0	3	321.377	2.699	20	30		DFEDHN
Cc1noc(C(C)C)c1C(=O)NC[C@]1(N(C)C)CCSC1	ZINC000331083214	427340094	/nfs/dbraw/zinc/34/00/94/427340094.db2.gz	BJHATJMEAQURMN-OAHLLOKOSA-N	0	3	311.451	2.848	20	30		DFEDHN
C=CCCOCCN[C@@H](CN1CCOCC1)c1ccccc1C	ZINC000183817110	427346192	/nfs/dbraw/zinc/34/61/92/427346192.db2.gz	LCORMRCXWTVHAB-IBGZPJMESA-N	0	3	318.461	2.551	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C	ZINC000293499416	427346988	/nfs/dbraw/zinc/34/69/88/427346988.db2.gz	UFKHQZSNNDSZDI-QWRGUYRKSA-N	0	3	303.431	2.777	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1cccc(NC(C)=O)c1	ZINC000330672378	427287746	/nfs/dbraw/zinc/28/77/46/427287746.db2.gz	GKBVKTXOCGQBTJ-MRXNPFEDSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C)n([C@@H](C)CC)n2)CC1	ZINC000330676214	427291334	/nfs/dbraw/zinc/29/13/34/427291334.db2.gz	ACEMUVAVDMQPLQ-ZDUSSCGKSA-N	0	3	319.453	3.139	20	30		DFEDHN
CC(CN(C[C@H](C)C#N)C1CC1)CN(C[C@H](C)C#N)C1CC1	ZINC000338390320	427297595	/nfs/dbraw/zinc/29/75/95/427297595.db2.gz	WCCCQTKEFPLVDI-HUUCEWRRSA-N	0	3	302.466	2.871	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)CC1	ZINC000331200588	427370894	/nfs/dbraw/zinc/37/08/94/427370894.db2.gz	PSXHYMXTJOMHQU-NVXWUHKLSA-N	0	3	323.481	2.592	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)CC1CCC(=O)CC1	ZINC000297257367	427375959	/nfs/dbraw/zinc/37/59/59/427375959.db2.gz	VSBRSHAXDPDQNW-UHFFFAOYSA-N	0	3	300.402	2.766	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000271053842	427390280	/nfs/dbraw/zinc/39/02/80/427390280.db2.gz	QSAJOGUOMADXLE-FUHWJXTLSA-N	0	3	300.402	2.694	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2CCC[C@H](C(N)=O)C2)CCCC1(C)C	ZINC000331297999	427394222	/nfs/dbraw/zinc/39/42/22/427394222.db2.gz	OYILBJTZSMEDTG-GJZGRUSLSA-N	0	3	321.465	2.827	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1Cl	ZINC000331299590	427394391	/nfs/dbraw/zinc/39/43/91/427394391.db2.gz	DPVTZQKFHPNKMS-AWEZNQCLSA-N	0	3	310.825	2.800	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000285989625	427395051	/nfs/dbraw/zinc/39/50/51/427395051.db2.gz	FSMRRKOYIHDBHV-VXGBXAGGSA-N	0	3	309.460	2.822	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C	ZINC000286016698	427402032	/nfs/dbraw/zinc/40/20/32/427402032.db2.gz	RLLFASBFKSKPRR-AVGNSLFASA-N	0	3	300.406	2.800	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000297642246	427419259	/nfs/dbraw/zinc/41/92/59/427419259.db2.gz	ZDOLFAXEBSWJPX-OAHLLOKOSA-N	0	3	307.463	2.839	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C	ZINC000286016701	427404720	/nfs/dbraw/zinc/40/47/20/427404720.db2.gz	RLLFASBFKSKPRR-XQQFMLRXSA-N	0	3	300.406	2.800	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1ccco1)C1CCCC1	ZINC000297611507	427414842	/nfs/dbraw/zinc/41/48/42/427414842.db2.gz	WUXJAZJTMYQPDS-UHFFFAOYSA-N	0	3	317.433	2.689	20	30		DFEDHN
CCN(Cc1cc(C#N)n(C)c1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000191495528	427361874	/nfs/dbraw/zinc/36/18/74/427361874.db2.gz	BTBAMVGZPMTMPQ-LJQANCHMSA-N	0	3	322.456	2.993	20	30		DFEDHN
CC(C)(O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000331177331	427364283	/nfs/dbraw/zinc/36/42/83/427364283.db2.gz	FVAGUEGPFYNYAO-HZPDHXFCSA-N	0	3	300.402	2.521	20	30		DFEDHN
C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cc(C#N)n(C)c1	ZINC000191515860	427366995	/nfs/dbraw/zinc/36/69/95/427366995.db2.gz	CVBWHJKSZMJEAM-SJKOYZFVSA-N	0	3	301.365	2.638	20	30		DFEDHN
CCCCNC(=O)C1(NCc2cc(C#N)n(C)c2)CCCCC1	ZINC000191516877	427367756	/nfs/dbraw/zinc/36/77/56/427367756.db2.gz	GQANWNICGLXXJY-UHFFFAOYSA-N	0	3	316.449	2.606	20	30		DFEDHN
C=CCCCN(C)Cc1ccccc1OCC(=O)NCC1CC1	ZINC000271218308	427456443	/nfs/dbraw/zinc/45/64/43/427456443.db2.gz	XVFRDPCTBRVXOO-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN(C2CCC2)C1	ZINC000293744202	427423439	/nfs/dbraw/zinc/42/34/39/427423439.db2.gz	RRHDQWGRYLBMOR-CYBMUJFWSA-N	0	3	315.392	2.644	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(OC)c(C#N)c1)C2	ZINC000271320373	427493331	/nfs/dbraw/zinc/49/33/31/427493331.db2.gz	SZVKKRZLBDUKSL-INIZCTEOSA-N	0	3	324.380	2.669	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c(C#N)c1	ZINC000184586811	427497349	/nfs/dbraw/zinc/49/73/49/427497349.db2.gz	ZXSVIYOEJHNQEJ-SFHVURJKSA-N	0	3	324.428	2.773	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000298094868	427520698	/nfs/dbraw/zinc/52/06/98/427520698.db2.gz	QNIAWLGOESBRNA-OKILXGFUSA-N	0	3	319.424	2.675	20	30		DFEDHN
C=CCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000279079483	427549704	/nfs/dbraw/zinc/54/97/04/427549704.db2.gz	DULCAGNUQSXISG-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000338789471	427490855	/nfs/dbraw/zinc/49/08/55/427490855.db2.gz	QRUOBGCRFCOCGS-INIZCTEOSA-N	0	3	317.481	2.583	20	30		DFEDHN
Cc1nnc(N[C@@H](C)CN(C)Cc2ccccc2)c(C#N)c1C	ZINC000271867569	427590755	/nfs/dbraw/zinc/59/07/55/427590755.db2.gz	RNWKUSLITNEYBI-ZDUSSCGKSA-N	0	3	309.417	2.898	20	30		DFEDHN
C[C@@H]1CN([C@H](CN[C@H]2CC[C@@H](C#N)C2)c2cccs2)CCO1	ZINC000338973083	427599058	/nfs/dbraw/zinc/59/90/58/427599058.db2.gz	RCBAUWIXVJNPAT-LVQVYYBASA-N	0	3	319.474	2.792	20	30		DFEDHN
CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1cccs1	ZINC000263986894	427625655	/nfs/dbraw/zinc/62/56/55/427625655.db2.gz	SUIFNRBPOIBANI-CYBMUJFWSA-N	0	3	311.414	2.982	20	30		DFEDHN
CC1(C)CN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCC[C@H]21	ZINC000332760721	427625966	/nfs/dbraw/zinc/62/59/66/427625966.db2.gz	LHPGGNZNOWWCCI-CABCVRRESA-N	0	3	303.450	2.840	20	30		DFEDHN
COc1cccc(N2CC[C@H](NCc3cccc(C#N)c3)C2)c1	ZINC000264027579	427639068	/nfs/dbraw/zinc/63/90/68/427639068.db2.gz	ZABSFIVOUWWWST-KRWDZBQOSA-N	0	3	307.397	2.935	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1	ZINC000339042771	427643317	/nfs/dbraw/zinc/64/33/17/427643317.db2.gz	BAJMJOWFFUPAKJ-MRXNPFEDSA-N	0	3	304.365	2.793	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000339076839	427665785	/nfs/dbraw/zinc/66/57/85/427665785.db2.gz	XXWWBNKWGAKMAR-MRXNPFEDSA-N	0	3	312.417	2.854	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCOCCC#N	ZINC000339060126	427656311	/nfs/dbraw/zinc/65/63/11/427656311.db2.gz	NZKJVDWGEFAVBQ-SJORKVTESA-N	0	3	301.434	2.511	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NCc3ccccc3)C2=O)cc1	ZINC000272163401	427657636	/nfs/dbraw/zinc/65/76/36/427657636.db2.gz	DUGDFPJMPVHEGN-SFHVURJKSA-N	0	3	305.381	2.843	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@@H]1NCc1cccc(C#N)c1	ZINC000343394341	272135827	/nfs/dbraw/zinc/13/58/27/272135827.db2.gz	RNLVIWLSSXKVLR-FUHWJXTLSA-N	0	3	310.401	2.955	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2cc(C#N)ccc2F)CC1	ZINC000344095371	272263017	/nfs/dbraw/zinc/26/30/17/272263017.db2.gz	LVWSGRVGVCOAKD-UHFFFAOYSA-N	0	3	303.381	2.576	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2CCO[C@H]2c2cccnc2)cc1C#N	ZINC000344246670	272297008	/nfs/dbraw/zinc/29/70/08/272297008.db2.gz	IBPJKWIXFAAZQU-HKUYNNGSSA-N	0	3	323.396	2.924	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCO[C@@H]2c2cccnc2)cc1C#N	ZINC000344246671	272297160	/nfs/dbraw/zinc/29/71/60/272297160.db2.gz	IBPJKWIXFAAZQU-IEBWSBKVSA-N	0	3	323.396	2.924	20	30		DFEDHN
C=CCCCCCN1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000193337291	427686374	/nfs/dbraw/zinc/68/63/74/427686374.db2.gz	ARDFJHUSNIRAIC-UHFFFAOYSA-N	0	3	304.482	2.901	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)COCc1ccccc1	ZINC000272307840	427705146	/nfs/dbraw/zinc/70/51/46/427705146.db2.gz	REBCCWCAISCJRA-GOSISDBHSA-N	0	3	315.413	2.888	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1	ZINC000193819172	427716582	/nfs/dbraw/zinc/71/65/82/427716582.db2.gz	COGVJVYLLGGWOK-GOSISDBHSA-N	0	3	319.408	2.810	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)Cc1cc(Br)ccc1F	ZINC000339315258	427754630	/nfs/dbraw/zinc/75/46/30/427754630.db2.gz	MEUNKXMDEYLGOE-RKDXNWHRSA-N	0	3	313.170	2.795	20	30		DFEDHN
CN(CCCCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000336845340	427756294	/nfs/dbraw/zinc/75/62/94/427756294.db2.gz	LANSGYRMVJWQEV-CABCVRRESA-N	0	3	314.495	2.994	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccccc2OCC)CC1	ZINC000299155682	427756673	/nfs/dbraw/zinc/75/66/73/427756673.db2.gz	OGHPDXIXBJEHPJ-OAHLLOKOSA-N	0	3	314.429	2.608	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccccc1	ZINC000336875183	427769934	/nfs/dbraw/zinc/76/99/34/427769934.db2.gz	BRTOLTIOFVUCAP-MRXNPFEDSA-N	0	3	311.385	2.964	20	30		DFEDHN
CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000186031993	427742530	/nfs/dbraw/zinc/74/25/30/427742530.db2.gz	DNKLETFMJUHCEU-QGZVFWFLSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1nccs1)C(C)C	ZINC000194476693	427744542	/nfs/dbraw/zinc/74/45/42/427744542.db2.gz	QWKARLUHRCNBHG-AWEZNQCLSA-N	0	3	322.478	2.641	20	30		DFEDHN
Cc1n[nH]c(C)c1CNCCSCc1ccccc1C#N	ZINC000299058309	427744818	/nfs/dbraw/zinc/74/48/18/427744818.db2.gz	RWRGDKPIBXLWGO-UHFFFAOYSA-N	0	3	300.431	2.921	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2c(C#N)cnc3ccccc32)CC1	ZINC000301501656	427800661	/nfs/dbraw/zinc/80/06/61/427800661.db2.gz	FAWYVUCIGBERCW-HNNXBMFYSA-N	0	3	323.444	2.544	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2c(Cl)cccc2C#N)CC1	ZINC000301568554	427806373	/nfs/dbraw/zinc/80/63/73/427806373.db2.gz	ZUKFYOHQGARMPE-ZDUSSCGKSA-N	0	3	306.841	2.650	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)C2(C#N)CCCC2)c1	ZINC000337221436	427817816	/nfs/dbraw/zinc/81/78/16/427817816.db2.gz	MJPGSPXAWUHFPX-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000337231282	427819532	/nfs/dbraw/zinc/81/95/32/427819532.db2.gz	XARCTGBCIVXZKS-WMZOPIPTSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CC[C@H](C)OCc2ccccc2)C1=O	ZINC000337237592	427821019	/nfs/dbraw/zinc/82/10/19/427821019.db2.gz	YQAVWBADWCBMFY-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000355660385	427838098	/nfs/dbraw/zinc/83/80/98/427838098.db2.gz	NNJQBNZPRRNKBE-SFHVURJKSA-N	0	3	313.445	2.874	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1ccc(C#N)nc1	ZINC000301931417	427843937	/nfs/dbraw/zinc/84/39/37/427843937.db2.gz	OUEQRYJXKPONSN-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccccc2Br)CC1	ZINC000355856302	427925085	/nfs/dbraw/zinc/92/50/85/427925085.db2.gz	CYXDLCMSCOHQMD-JTQLQIEISA-N	0	3	307.191	2.757	20	30		DFEDHN
N#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)c1	ZINC000337386390	427879041	/nfs/dbraw/zinc/87/90/41/427879041.db2.gz	FUHPLOTVOLTRSC-ZIAGYGMSSA-N	0	3	323.343	2.637	20	30		DFEDHN
Cc1ccc(NC(=O)c2ccc(C#N)o2)c(OCCN(C)C)c1	ZINC000340589333	427890163	/nfs/dbraw/zinc/89/01/63/427890163.db2.gz	YZELQKMPCVRGOL-UHFFFAOYSA-N	0	3	313.357	2.652	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@H](CO)c1ccc(Cl)cc1	ZINC000359533944	427895264	/nfs/dbraw/zinc/89/52/64/427895264.db2.gz	GGLPDLYEHKGJAA-MRXNPFEDSA-N	0	3	316.788	2.914	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1	ZINC000359555039	427907338	/nfs/dbraw/zinc/90/73/38/427907338.db2.gz	JXBDGQWTNFXRAT-LMSBXDPUSA-N	0	3	305.466	2.941	20	30		DFEDHN
Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)sc1C	ZINC000350037209	427926462	/nfs/dbraw/zinc/92/64/62/427926462.db2.gz	WXQNVVIPPIWFSC-HNNXBMFYSA-N	0	3	324.409	2.630	20	30		DFEDHN
Cc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1C#N	ZINC000302725205	427859296	/nfs/dbraw/zinc/85/92/96/427859296.db2.gz	RMZYAZCWJKHWTC-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CN(CCNC(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000341115729	427995369	/nfs/dbraw/zinc/99/53/69/427995369.db2.gz	VSBBANAHJGVQKG-UHFFFAOYSA-N	0	3	311.360	2.559	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000337599571	427975894	/nfs/dbraw/zinc/97/58/94/427975894.db2.gz	LVLAXQMMMLMMKP-INIZCTEOSA-N	0	3	317.433	2.600	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N[C@H]1CCN(CCOC)C1	ZINC000337600458	427975910	/nfs/dbraw/zinc/97/59/10/427975910.db2.gz	MTEVTOWTJUWJIN-INIZCTEOSA-N	0	3	317.433	2.647	20	30		DFEDHN
Cc1cc(N[C@H]2CN(C(C)C)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413185008	427983662	/nfs/dbraw/zinc/98/36/62/427983662.db2.gz	LAIYUFISCNEKGF-WFASDCNBSA-N	0	3	302.378	2.916	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(C3CC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413194091	427986995	/nfs/dbraw/zinc/98/69/95/427986995.db2.gz	PGJPBBWXHJCIJR-IAQYHMDHSA-N	0	3	300.362	2.670	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000369532379	427992314	/nfs/dbraw/zinc/99/23/14/427992314.db2.gz	SQVWKUKMYZLDEK-DZGCQCFKSA-N	0	3	307.463	2.958	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1c[nH]c(C#N)c1	ZINC000345891912	427941749	/nfs/dbraw/zinc/94/17/49/427941749.db2.gz	TWOSVMORTYQUOD-UHFFFAOYSA-N	0	3	302.422	2.613	20	30		DFEDHN
C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CCN(C2CC2)C1	ZINC000413339481	428025696	/nfs/dbraw/zinc/02/56/96/428025696.db2.gz	YIZMJNMJZPROOE-LLVKDONJSA-N	0	3	324.350	2.893	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376951218	428030382	/nfs/dbraw/zinc/03/03/82/428030382.db2.gz	USSNZQNLTUJYTJ-MSOLQXFVSA-N	0	3	323.440	2.675	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000346156236	428041616	/nfs/dbraw/zinc/04/16/16/428041616.db2.gz	JMLDLDHKRRQIIE-PMUMKWKESA-N	0	3	311.429	2.669	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000346156238	428041745	/nfs/dbraw/zinc/04/17/45/428041745.db2.gz	JMLDLDHKRRQIIE-QWQRMKEZSA-N	0	3	311.429	2.669	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000413439371	428050438	/nfs/dbraw/zinc/05/04/38/428050438.db2.gz	NJNSKJSKQDVQOR-KBAYOESNSA-N	0	3	315.461	2.956	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000369742916	428051251	/nfs/dbraw/zinc/05/12/51/428051251.db2.gz	WAHGJYMSUXEWOA-SJORKVTESA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)CC1	ZINC000413232146	427997644	/nfs/dbraw/zinc/99/76/44/427997644.db2.gz	GMFSHOCKJVJBLE-RDJZCZTQSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)CC1	ZINC000413232147	427998628	/nfs/dbraw/zinc/99/86/28/427998628.db2.gz	GMFSHOCKJVJBLE-WBVHZDCISA-N	0	3	305.466	2.762	20	30		DFEDHN
Cc1cc(N2C[C@H](N3CCCC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413282942	428012390	/nfs/dbraw/zinc/01/23/90/428012390.db2.gz	RBNYAAWQNQAHLI-UKRRQHHQSA-N	0	3	314.389	2.838	20	30		DFEDHN
C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1Cl	ZINC000369614672	428016668	/nfs/dbraw/zinc/01/66/68/428016668.db2.gz	GXJSWSKXZJXVAZ-CFVMTHIKSA-N	0	3	319.836	2.725	20	30		DFEDHN
CN(Cc1nc(C#N)cs1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000356096238	428018737	/nfs/dbraw/zinc/01/87/37/428018737.db2.gz	ZDJMRETUBLTVKR-INIZCTEOSA-N	0	3	312.442	2.721	20	30		DFEDHN
C=CCC1(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CCC1	ZINC000359901093	428068591	/nfs/dbraw/zinc/06/85/91/428068591.db2.gz	NYQBVUNRXIUPBW-HUUCEWRRSA-N	0	3	308.491	2.771	20	30		DFEDHN
Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)s1	ZINC000359920423	428076393	/nfs/dbraw/zinc/07/63/93/428076393.db2.gz	ZORVUBKTPCRGGD-JTQLQIEISA-N	0	3	302.315	2.606	20	30		DFEDHN
Cc1cc(CN2CCC(N(C)Cc3ccccc3C#N)CC2)on1	ZINC000369904053	428085411	/nfs/dbraw/zinc/08/54/11/428085411.db2.gz	HBHAGENDJOTJHP-UHFFFAOYSA-N	0	3	324.428	2.951	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(F)c(C#N)c1	ZINC000352246468	428130487	/nfs/dbraw/zinc/13/04/87/428130487.db2.gz	PYOJWCXBRMLVIL-STQMWFEESA-N	0	3	303.381	2.690	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N[C@H](C)c3cccc(C#N)c3)C2)nn1	ZINC000360063654	428139057	/nfs/dbraw/zinc/13/90/57/428139057.db2.gz	ZWLICVYSLYYXKR-QAPCUYQASA-N	0	3	321.428	2.976	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)C	ZINC000360083777	428151246	/nfs/dbraw/zinc/15/12/46/428151246.db2.gz	QWQUGSSEWKQFJP-BRWVUGGUSA-N	0	3	318.465	2.676	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(CC)C1	ZINC000413843928	428152120	/nfs/dbraw/zinc/15/21/20/428152120.db2.gz	QKOHFTYZWIVJLC-OAHLLOKOSA-N	0	3	305.397	2.618	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CC)C1	ZINC000413843666	428152476	/nfs/dbraw/zinc/15/24/76/428152476.db2.gz	ZTEOCOBQZHZKMF-IRXDYDNUSA-N	0	3	301.434	2.567	20	30		DFEDHN
CNC(=O)c1ccc([C@H]2CCCCN2CCCCC#N)n1C	ZINC000370174703	428152840	/nfs/dbraw/zinc/15/28/40/428152840.db2.gz	RGWWPCHAQGFHNK-OAHLLOKOSA-N	0	3	302.422	2.606	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1	ZINC000341693120	428158197	/nfs/dbraw/zinc/15/81/97/428158197.db2.gz	GMBHBQSNEBHAGZ-UHFFFAOYSA-N	0	3	315.408	2.904	20	30		DFEDHN
Cc1cc(N2CCC[C@H](NCc3ccc(C#N)cc3)C2)nc(C)n1	ZINC000377557102	428159168	/nfs/dbraw/zinc/15/91/68/428159168.db2.gz	RAIRJEWIIZLTKT-SFHVURJKSA-N	0	3	321.428	2.724	20	30		DFEDHN
CC1(C#N)CCN(C/C=C/CN2CCC(C)(C#N)CC2)CC1	ZINC000356448417	428183873	/nfs/dbraw/zinc/18/38/73/428183873.db2.gz	SOGKVGZYPMNUKR-ONEGZZNKSA-N	0	3	300.450	2.794	20	30		DFEDHN
Cc1cncc(CN2CCCN(c3ccc(C#N)cc3)CC2)c1	ZINC000370454743	428215768	/nfs/dbraw/zinc/21/57/68/428215768.db2.gz	JCLKJKFTOUJQMB-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
COCC[C@@H](COC)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356533688	428221657	/nfs/dbraw/zinc/22/16/57/428221657.db2.gz	UYOXZVBAMKMSNW-ZDUSSCGKSA-N	0	3	316.323	2.718	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000341886089	428241080	/nfs/dbraw/zinc/24/10/80/428241080.db2.gz	NGIXKCRNYHZOOH-HUUCEWRRSA-N	0	3	302.418	2.649	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCN(Cc2ccccc2F)CC1	ZINC000370502825	428224382	/nfs/dbraw/zinc/22/43/82/428224382.db2.gz	KVGIORNDNPKSHP-QGZVFWFLSA-N	0	3	306.425	2.661	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CC1	ZINC000370332920	428186889	/nfs/dbraw/zinc/18/68/89/428186889.db2.gz	JCKFHNDUVJRYOI-CRAIPNDOSA-N	0	3	305.466	2.859	20	30		DFEDHN
C[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)c1cccc(C#N)c1	ZINC000360185553	428196421	/nfs/dbraw/zinc/19/64/21/428196421.db2.gz	ZTBXSOIFKKHGLA-YJBOKZPZSA-N	0	3	311.429	2.749	20	30		DFEDHN
C=CCCS(=O)(=O)N(CCN(CC)CC)Cc1ccccc1	ZINC000360190950	428198773	/nfs/dbraw/zinc/19/87/73/428198773.db2.gz	UETMGEHIOQNVNR-UHFFFAOYSA-N	0	3	324.490	2.736	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNc2nccc(C#N)c2Cl)C1	ZINC000342114760	428306543	/nfs/dbraw/zinc/30/65/43/428306543.db2.gz	NGRREVJIRGDSOU-GFCCVEGCSA-N	0	3	306.841	3.529	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cn(-c2cccc(F)c2)nc1C	ZINC000414468137	428308722	/nfs/dbraw/zinc/30/87/22/428308722.db2.gz	JQTFMFNHYPRVAS-SJORKVTESA-N	0	3	301.365	2.753	20	30		DFEDHN
CCN(CCC#N)C(=O)CN(Cc1ccccc1)CC(C)C	ZINC000346793595	428319175	/nfs/dbraw/zinc/31/91/75/428319175.db2.gz	LNCRIMFGIIKBPG-UHFFFAOYSA-N	0	3	301.434	2.907	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000342168714	428332561	/nfs/dbraw/zinc/33/25/61/428332561.db2.gz	QHUICJTTZPOCMM-CZUORRHYSA-N	0	3	319.474	2.928	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1cccc2ccccc21	ZINC000360568803	428352069	/nfs/dbraw/zinc/35/20/69/428352069.db2.gz	RPVZGSBNNVYODE-BLLLJJGKSA-N	0	3	310.353	2.720	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H]2Cn2nc(C)nc2C)cc1	ZINC000371408477	428388232	/nfs/dbraw/zinc/38/82/32/428388232.db2.gz	HMBOMZAQILLBNL-SFHVURJKSA-N	0	3	324.428	2.572	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2OC)CC1	ZINC000371517533	428396231	/nfs/dbraw/zinc/39/62/31/428396231.db2.gz	LPGVAHGTIKBFDQ-HNNXBMFYSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000371655024	428396910	/nfs/dbraw/zinc/39/69/10/428396910.db2.gz	XXOJBIFVKLEUBR-RDJZCZTQSA-N	0	3	316.449	2.557	20	30		DFEDHN
C=CCN(C(=O)COC(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371591949	428398812	/nfs/dbraw/zinc/39/88/12/428398812.db2.gz	XEAAIUFYTLHUCD-SFHVURJKSA-N	0	3	316.445	2.701	20	30		DFEDHN
Cc1noc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000356931279	428362878	/nfs/dbraw/zinc/36/28/78/428362878.db2.gz	XRYHDDKWUBDORQ-AWEZNQCLSA-N	0	3	312.373	2.502	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCCCC2)C1	ZINC000360626108	428374851	/nfs/dbraw/zinc/37/48/51/428374851.db2.gz	DFAJDINDWVYIBC-HUUCEWRRSA-N	0	3	321.465	2.679	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCc2ncnn2C1	ZINC000360648793	428382973	/nfs/dbraw/zinc/38/29/73/428382973.db2.gz	SOIKHXDDMQNINB-DOTOQJQBSA-N	0	3	307.401	2.522	20	30		DFEDHN
C=CCOc1ccc(CN2CCCC[C@H](CO)C2)cc1OC	ZINC000371334781	428382928	/nfs/dbraw/zinc/38/29/28/428382928.db2.gz	ZPFHYEXGINUWMD-INIZCTEOSA-N	0	3	305.418	2.854	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1	ZINC000347074547	428434884	/nfs/dbraw/zinc/43/48/84/428434884.db2.gz	ROZYLQGSRXNCFG-CYBMUJFWSA-N	0	3	314.385	2.893	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2cccc(Br)c2)CC1	ZINC000347090247	428440281	/nfs/dbraw/zinc/44/02/81/428440281.db2.gz	QYGKEMFAWXBHHA-JTQLQIEISA-N	0	3	307.191	2.757	20	30		DFEDHN
COCC[C@@H]1CCCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000342764566	428448026	/nfs/dbraw/zinc/44/80/26/428448026.db2.gz	ZXVZLIRNBFOSAE-RYRKJORJSA-N	0	3	323.481	2.568	20	30		DFEDHN
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(C)C#N)C1	ZINC000347136005	428462243	/nfs/dbraw/zinc/46/22/43/428462243.db2.gz	NMGGULMVPXYEPU-QWHCGFSZSA-N	0	3	305.809	2.751	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000342366980	428418389	/nfs/dbraw/zinc/41/83/89/428418389.db2.gz	WALYBHSGGSISEL-JQHSSLGASA-N	0	3	316.445	2.604	20	30		DFEDHN
CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1	ZINC000353183701	428419313	/nfs/dbraw/zinc/41/93/13/428419313.db2.gz	PXRBVTNJUAUZIK-OAHLLOKOSA-N	0	3	303.381	2.578	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1	ZINC000347041461	428420678	/nfs/dbraw/zinc/42/06/78/428420678.db2.gz	TXYCNQHUZBIPIB-CYBMUJFWSA-N	0	3	304.353	2.801	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000342436484	428426361	/nfs/dbraw/zinc/42/63/61/428426361.db2.gz	MNPNBPGYVOTHSJ-PRHODGIISA-N	0	3	301.173	2.693	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1cccs1)C1CC1	ZINC000342469249	428429319	/nfs/dbraw/zinc/42/93/19/428429319.db2.gz	FUDZBTPRGFWFPV-WBMJQRKESA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCN(CCc1ccccc1)CCN1C[C@H]2CC[C@@H](C1)O2	ZINC000342473884	428429844	/nfs/dbraw/zinc/42/98/44/428429844.db2.gz	UVFZXSGSYMFRRF-KDURUIRLSA-N	0	3	300.446	2.580	20	30		DFEDHN
N#CCCCN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000372850339	428503991	/nfs/dbraw/zinc/50/39/91/428503991.db2.gz	YPZVPECSMBIXCE-CRAIPNDOSA-N	0	3	323.400	2.789	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000372900626	428505201	/nfs/dbraw/zinc/50/52/01/428505201.db2.gz	OKPJAOPQIGCYMR-IRXDYDNUSA-N	0	3	317.408	2.814	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)cc1	ZINC000353372825	428508990	/nfs/dbraw/zinc/50/89/90/428508990.db2.gz	INMSWFMZFFZDTO-WMZOPIPTSA-N	0	3	318.461	2.528	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C	ZINC000397792694	428511914	/nfs/dbraw/zinc/51/19/14/428511914.db2.gz	AMRBYSATOVXXFS-KGLIPLIRSA-N	0	3	319.405	2.933	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)n1	ZINC000398036930	428519775	/nfs/dbraw/zinc/51/97/75/428519775.db2.gz	QGUGCXRFYZIVKD-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
CC1(C)CCCN(CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1	ZINC000343111970	428521081	/nfs/dbraw/zinc/52/10/81/428521081.db2.gz	UTLDZZMTBFWBBS-UHFFFAOYSA-N	0	3	317.393	2.583	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3cc(F)c(F)cc32)CC1	ZINC000361008839	428530258	/nfs/dbraw/zinc/53/02/58/428530258.db2.gz	HMNRZZDSUMWLGC-UHFFFAOYSA-N	0	3	304.344	2.970	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000342870176	428478588	/nfs/dbraw/zinc/47/85/88/428478588.db2.gz	KVEVGDMCVKMAAX-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)c1nc2ccccc2n1C(F)F)C1CC1	ZINC000358095258	428580761	/nfs/dbraw/zinc/58/07/61/428580761.db2.gz	KLWPYJASMJKEAF-KOLCDFICSA-N	0	3	318.327	2.953	20	30		DFEDHN
C=CCN1CC[C@H](N(CCN2CCCCCC2)C2CCC2)C1=O	ZINC000347458984	428583069	/nfs/dbraw/zinc/58/30/69/428583069.db2.gz	SLSSPRRVNWPTMX-SFHVURJKSA-N	0	3	319.493	2.504	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC	ZINC000353552033	428589327	/nfs/dbraw/zinc/58/93/27/428589327.db2.gz	WHBFTIFIOYGNTR-OWLYRPNTSA-N	0	3	316.445	2.618	20	30		DFEDHN
CCOC(=O)CC(C)(C)N(C)Cc1ccc(OC)c(C#N)c1	ZINC000343884108	428590978	/nfs/dbraw/zinc/59/09/78/428590978.db2.gz	CKISAVGSOHQKJH-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCC(=O)N2	ZINC000353435996	428534995	/nfs/dbraw/zinc/53/49/95/428534995.db2.gz	NOERYELLIKZTFD-GFCCVEGCSA-N	0	3	307.353	2.740	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(F)c(F)cc1Br	ZINC000343196587	428535550	/nfs/dbraw/zinc/53/55/50/428535550.db2.gz	MGZZIYMQUIABPP-LURJTMIESA-N	0	3	303.106	2.503	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@H]2C)cc1OC	ZINC000347302242	428535616	/nfs/dbraw/zinc/53/56/16/428535616.db2.gz	MECKUGQWHILKCL-HIFRSBDPSA-N	0	3	319.401	2.643	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@H]2C)cc1OC	ZINC000347302243	428535942	/nfs/dbraw/zinc/53/59/42/428535942.db2.gz	MECKUGQWHILKCL-UKRRQHHQSA-N	0	3	319.401	2.643	20	30		DFEDHN
C=CCc1cc(C)cc(OC)c1OC[C@@H](O)CN(C)C1CC1	ZINC000357455229	428540157	/nfs/dbraw/zinc/54/01/57/428540157.db2.gz	PQJMDOHPZIECML-INIZCTEOSA-N	0	3	305.418	2.566	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CC)CCN1CCCCCC1	ZINC000347319825	428542554	/nfs/dbraw/zinc/54/25/54/428542554.db2.gz	RJEBMEPFGTZFGK-UHFFFAOYSA-N	0	3	309.498	2.609	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@@H]1OC	ZINC000361165600	428543902	/nfs/dbraw/zinc/54/39/02/428543902.db2.gz	KBJJUQRTISFRRW-KURKYZTESA-N	0	3	318.417	2.651	20	30		DFEDHN
CC#CCCNC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000361286469	428552202	/nfs/dbraw/zinc/55/22/02/428552202.db2.gz	DBNWQOPUHBYCBH-UHFFFAOYSA-N	0	3	313.445	2.672	20	30		DFEDHN
CC#CCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000373353572	428553643	/nfs/dbraw/zinc/55/36/43/428553643.db2.gz	JTLLEXIVTVZMCJ-GOSISDBHSA-N	0	3	313.445	2.603	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000361369528	428558832	/nfs/dbraw/zinc/55/88/32/428558832.db2.gz	JNHVLUXKFRDEPD-GOSISDBHSA-N	0	3	313.445	2.845	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000361361847	428560461	/nfs/dbraw/zinc/56/04/61/428560461.db2.gz	MEMDDTGATKPIPH-SFHVURJKSA-N	0	3	313.445	2.754	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1	ZINC000357822889	428564125	/nfs/dbraw/zinc/56/41/25/428564125.db2.gz	JPCNOFNDGGOLTQ-DOMZBBRYSA-N	0	3	305.809	2.753	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1	ZINC000347359741	428564257	/nfs/dbraw/zinc/56/42/57/428564257.db2.gz	WOPXHVLTPNZNRP-PMPSAXMXSA-N	0	3	307.459	2.814	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1	ZINC000357799676	428564973	/nfs/dbraw/zinc/56/49/73/428564973.db2.gz	DVHCRBUNIDWRJL-GFCCVEGCSA-N	0	3	306.793	2.664	20	30		DFEDHN
Cc1ccncc1CN(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000361408498	428566010	/nfs/dbraw/zinc/56/60/10/428566010.db2.gz	BPRPBGHBKQJOIH-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
Cc1ccncc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000357851204	428568037	/nfs/dbraw/zinc/56/80/37/428568037.db2.gz	NPSAGOPONUZICZ-QGZVFWFLSA-N	0	3	318.380	2.603	20	30		DFEDHN
CC1(C)CN(Cc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1	ZINC000361506868	428574043	/nfs/dbraw/zinc/57/40/43/428574043.db2.gz	BOGRYDYTUPHCPB-GOSISDBHSA-N	0	3	300.402	2.523	20	30		DFEDHN
CCc1nc2ccccc2n1C1CCN(C(=O)C(C)C#N)CC1	ZINC000357985225	428574443	/nfs/dbraw/zinc/57/44/43/428574443.db2.gz	WXOXGRSRBUMQEW-CYBMUJFWSA-N	0	3	310.401	2.922	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@H](OC(C)C)C1(C)C	ZINC000361551409	428576231	/nfs/dbraw/zinc/57/62/31/428576231.db2.gz	PEMSNLMGPMFPIK-JYJNAYRXSA-N	0	3	308.466	2.757	20	30		DFEDHN
Cc1cc(C)c(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)[nH]1	ZINC000361543118	428576910	/nfs/dbraw/zinc/57/69/10/428576910.db2.gz	KQQCATVQMKJAAB-LBPRGKRZSA-N	0	3	318.336	2.837	20	30		DFEDHN
CCCN1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000361776211	428596469	/nfs/dbraw/zinc/59/64/69/428596469.db2.gz	SOBCTWKZILXHKK-UHFFFAOYSA-N	0	3	311.429	2.800	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2Cn2cc(C3CC3)nn2)cc1	ZINC000344018746	428608636	/nfs/dbraw/zinc/60/86/36/428608636.db2.gz	UOFVBXVZRFDONB-QGZVFWFLSA-N	0	3	307.401	2.692	20	30		DFEDHN
CN(C[C@@H]1CC=CCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000344064460	428623139	/nfs/dbraw/zinc/62/31/39/428623139.db2.gz	OHEQBRHSMBSWLP-AEFFLSMTSA-N	0	3	309.413	2.952	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C(C)(C)C)[C@H](O)C1	ZINC000347789096	428624595	/nfs/dbraw/zinc/62/45/95/428624595.db2.gz	SHLBHTLZGDGYLL-ARFHVFGLSA-N	0	3	310.482	2.528	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CCCN(C(C)C)C1	ZINC000347951404	428631783	/nfs/dbraw/zinc/63/17/83/428631783.db2.gz	MPGLIHSJSBMMQI-HNNXBMFYSA-N	0	3	302.418	2.854	20	30		DFEDHN
C=CCOCCCN1CCN(c2nc3ccccc3o2)[C@@H](C)C1	ZINC000348044576	428635147	/nfs/dbraw/zinc/63/51/47/428635147.db2.gz	HGLUFJITRPNMKV-HNNXBMFYSA-N	0	3	315.417	2.931	20	30		DFEDHN
C=CCOCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1	ZINC000348040522	428635172	/nfs/dbraw/zinc/63/51/72/428635172.db2.gz	VUZGYUOLVJVAGR-KRWDZBQOSA-N	0	3	318.461	2.967	20	30		DFEDHN
Cn1cc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)cc1C#N	ZINC000373819478	428650068	/nfs/dbraw/zinc/65/00/68/428650068.db2.gz	ZDZBHNJBRGLFDD-RBUKOAKNSA-N	0	3	309.413	2.985	20	30		DFEDHN
CSCC[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356111438	274176238	/nfs/dbraw/zinc/17/62/38/274176238.db2.gz	UNUVVMSTVBRPPI-GFCCVEGCSA-N	0	3	318.364	2.781	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000097473161	274217427	/nfs/dbraw/zinc/21/74/27/274217427.db2.gz	BBVTXCSSRKSICJ-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccccn1	ZINC000358783867	428673423	/nfs/dbraw/zinc/67/34/23/428673423.db2.gz	HFVUSCGNIRZZRU-GFCCVEGCSA-N	0	3	303.435	2.568	20	30		DFEDHN
CN(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1	ZINC000358783836	428674156	/nfs/dbraw/zinc/67/41/56/428674156.db2.gz	STCNETASAGWXTD-LBPRGKRZSA-N	0	3	305.341	2.514	20	30		DFEDHN
C=CCn1c(SC[C@H](C)N(C)C)nc2sccc2c1=O	ZINC000358865678	428711261	/nfs/dbraw/zinc/71/12/61/428711261.db2.gz	YREONSWVXBYABN-JTQLQIEISA-N	0	3	309.460	2.686	20	30		DFEDHN
CC(C)n1cc([C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2CO)cn1	ZINC000344867601	428714668	/nfs/dbraw/zinc/71/46/68/428714668.db2.gz	SXHYSADZOBYDMV-RBUKOAKNSA-N	0	3	324.428	2.544	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1	ZINC000362381326	428725819	/nfs/dbraw/zinc/72/58/19/428725819.db2.gz	XDGJFOHEFAMEQS-WBVHZDCISA-N	0	3	319.449	2.570	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000362380839	428727342	/nfs/dbraw/zinc/72/73/42/428727342.db2.gz	SVERTCBTGSNKSI-JKSUJKDBSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CCN2CCC[C@@H]2C1	ZINC000362398333	428730674	/nfs/dbraw/zinc/73/06/74/428730674.db2.gz	WAGSBGJOWQLGSA-CQSZACIVSA-N	0	3	302.443	2.885	20	30		DFEDHN
C[C@H](NCC1CCN(c2ccccc2C#N)CC1)c1nccn1C	ZINC000362255051	428679113	/nfs/dbraw/zinc/67/91/13/428679113.db2.gz	JJKHIAKPTOYXCC-HNNXBMFYSA-N	0	3	323.444	2.859	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000358803422	428683567	/nfs/dbraw/zinc/68/35/67/428683567.db2.gz	GJXAIYCELXOFEF-HUUCEWRRSA-N	0	3	305.470	2.897	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(CC(=O)N(C)C)CC1	ZINC000358809642	428685778	/nfs/dbraw/zinc/68/57/78/428685778.db2.gz	DVZBEVHVJLRLEY-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)CN([C@H](C)CC)C1=O)C(C)C	ZINC000348479319	428754580	/nfs/dbraw/zinc/75/45/80/428754580.db2.gz	PLRBPXFVQLFGJJ-CVEARBPZSA-N	0	3	321.465	2.748	20	30		DFEDHN
C[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C#N)s1	ZINC000374805893	428756422	/nfs/dbraw/zinc/75/64/22/428756422.db2.gz	CSNLCMOVWXJQOR-WOSRLPQWSA-N	0	3	320.458	2.838	20	30		DFEDHN
C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCCC#N	ZINC000374878547	428773673	/nfs/dbraw/zinc/77/36/73/428773673.db2.gz	IAUKLIUVEBJCLM-FUHWJXTLSA-N	0	3	301.434	2.511	20	30		DFEDHN
Cc1ccsc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348411329	428736178	/nfs/dbraw/zinc/73/61/78/428736178.db2.gz	PXCWTRHUTVPWGB-INIZCTEOSA-N	0	3	323.421	2.969	20	30		DFEDHN
C[C@@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348438979	428745174	/nfs/dbraw/zinc/74/51/74/428745174.db2.gz	FZGTZTBCSFUSNG-GWCFXTLKSA-N	0	3	309.291	2.698	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000358960064	428748462	/nfs/dbraw/zinc/74/84/62/428748462.db2.gz	RQWOFERREASETI-KGLIPLIRSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCOCC2)CN1CCC1(C#N)CCCCC1	ZINC000411724168	428848209	/nfs/dbraw/zinc/84/82/09/428848209.db2.gz	YLBSHCSSJMQIPD-SJORKVTESA-N	0	3	305.466	2.646	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc(C(=O)OC)[nH]2)cc1	ZINC000348679226	428812355	/nfs/dbraw/zinc/81/23/55/428812355.db2.gz	ZELJLKSVGPCGTJ-UHFFFAOYSA-N	0	3	300.358	2.656	20	30		DFEDHN
C[C@@H]1[C@H](N2CCOCC2)CCN1CCC1(C#N)CCCCC1	ZINC000411750173	428853294	/nfs/dbraw/zinc/85/32/94/428853294.db2.gz	MKSYGPUHGSQOEE-IAGOWNOFSA-N	0	3	305.466	2.646	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCc4ccccc4OC3)n2c1	ZINC000375269602	428837250	/nfs/dbraw/zinc/83/72/50/428837250.db2.gz	QUOZYLSCCFOZKO-INIZCTEOSA-N	0	3	318.380	2.689	20	30		DFEDHN
C=CCOc1cccc(CN(CCN(C)C)C[C@H]2CCCO2)c1	ZINC000349041645	428907457	/nfs/dbraw/zinc/90/74/57/428907457.db2.gz	VUOVETHQPAUUMG-LJQANCHMSA-N	0	3	318.461	2.794	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)NCCCCC#N)cc1	ZINC000417517561	428866025	/nfs/dbraw/zinc/86/60/25/428866025.db2.gz	QQILMBYVMLWSLU-MRXNPFEDSA-N	0	3	302.422	2.803	20	30		DFEDHN
N#CC1(NC(=O)CCN2CCc3ccccc3C2)CCCCC1	ZINC000348903603	428872531	/nfs/dbraw/zinc/87/25/31/428872531.db2.gz	ZGGRRRCXOMJYID-UHFFFAOYSA-N	0	3	311.429	2.777	20	30		DFEDHN
C=CCN(Cc1nnc(C)o1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363185000	428877751	/nfs/dbraw/zinc/87/77/51/428877751.db2.gz	NHHUOGXSKCZGEW-QGZVFWFLSA-N	0	3	312.417	2.641	20	30		DFEDHN
C=CCOc1ccccc1CN1CCO[C@@H]2CCN(CC)C[C@@H]21	ZINC000354132568	428878944	/nfs/dbraw/zinc/87/89/44/428878944.db2.gz	XXYCJCUUSPHCHS-PKOBYXMFSA-N	0	3	316.445	2.546	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC[C@H](n3cccn3)C2)cc1	ZINC000363198145	428879481	/nfs/dbraw/zinc/87/94/81/428879481.db2.gz	ABNNMFKXSNVIJK-KRWDZBQOSA-N	0	3	310.401	2.861	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c[nH]1	ZINC000418137756	428885762	/nfs/dbraw/zinc/88/57/62/428885762.db2.gz	CCVMJTRCBRTOSC-MRXNPFEDSA-N	0	3	309.369	2.840	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@@H](N3CCCC3)[C@@H]2C)c1C#N	ZINC000286259193	274663229	/nfs/dbraw/zinc/66/32/29/274663229.db2.gz	CTHKXEPMYYIETP-SWLSCSKDSA-N	0	3	304.825	2.978	20	30		DFEDHN
Cc1c(Cl)cnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N	ZINC000286255739	274663550	/nfs/dbraw/zinc/66/35/50/274663550.db2.gz	GGXUFOPSNGBURE-AAEUAGOBSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1cc(F)ccc1CNC1(CO)C2CC3CC(C2)CC1C3	ZINC000412003216	428905351	/nfs/dbraw/zinc/90/53/51/428905351.db2.gz	OYNYDHRYUYJTNJ-UHFFFAOYSA-N	0	3	314.404	2.974	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1c(C#N)cccc1C#N	ZINC000375518969	428905660	/nfs/dbraw/zinc/90/56/60/428905660.db2.gz	GZEAURJVGVGKHO-OLMNPRSZSA-N	0	3	324.428	2.731	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	ZINC000412086581	428946657	/nfs/dbraw/zinc/94/66/57/428946657.db2.gz	WIPFCPAGSIBNQA-QWQRMKEZSA-N	0	3	323.481	2.613	20	30		DFEDHN
COC(=O)[C@@H]1CSCCN(CCC2(C#N)CCCCC2)C1	ZINC000412088602	428948018	/nfs/dbraw/zinc/94/80/18/428948018.db2.gz	WXKDOWUGEJLZEQ-AWEZNQCLSA-N	0	3	310.463	2.689	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000420260555	428952435	/nfs/dbraw/zinc/95/24/35/428952435.db2.gz	JAQVKLDJEOSIPW-CYBMUJFWSA-N	0	3	301.287	2.715	20	30		DFEDHN
C[C@]1(F)CNCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000420261374	428952559	/nfs/dbraw/zinc/95/25/59/428952559.db2.gz	KRIJJFBNMXFBGO-ZDUSSCGKSA-N	0	3	301.287	2.715	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCN1C	ZINC000420862556	428970666	/nfs/dbraw/zinc/97/06/66/428970666.db2.gz	QOZOYQYCRAGYKT-MSOLQXFVSA-N	0	3	315.461	2.909	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccco1	ZINC000355089132	429027401	/nfs/dbraw/zinc/02/74/01/429027401.db2.gz	VZJZSUXLDUXNMK-STQMWFEESA-N	0	3	306.410	2.558	20	30		DFEDHN
CC(C)(C#N)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000349382629	428977375	/nfs/dbraw/zinc/97/73/75/428977375.db2.gz	KIKLDCANONOLIR-INIZCTEOSA-N	0	3	314.433	2.672	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)n1C	ZINC000451798001	428978651	/nfs/dbraw/zinc/97/86/51/428978651.db2.gz	SCROIEIRKSMSOK-UHFFFAOYSA-N	0	3	316.449	2.625	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccncn1	ZINC000354469552	428988588	/nfs/dbraw/zinc/98/85/88/428988588.db2.gz	RDDFJGWUUBFMEK-HOTGVXAUSA-N	0	3	323.352	2.524	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1ccncn1	ZINC000354469085	428988942	/nfs/dbraw/zinc/98/89/42/428988942.db2.gz	MMDCUJALVOCNPM-LLVKDONJSA-N	0	3	307.231	2.865	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H]1CC(=O)N(CCC)C1	ZINC000421354742	428990165	/nfs/dbraw/zinc/99/01/65/428990165.db2.gz	SKXVTRQNHKUDAQ-OAHLLOKOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C[C@H]1C[C@H](CO)CN(Cc2cccc(OCCCC#N)c2)C1	ZINC000421366448	428991538	/nfs/dbraw/zinc/99/15/38/428991538.db2.gz	VKFKBXNAFGRVRR-RDJZCZTQSA-N	0	3	302.418	2.819	20	30		DFEDHN
N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1ccncn1	ZINC000354482236	428991779	/nfs/dbraw/zinc/99/17/79/428991779.db2.gz	ZIOCFHZVEHNEDS-AWEZNQCLSA-N	0	3	317.308	2.549	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1	ZINC000354485740	428992312	/nfs/dbraw/zinc/99/23/12/428992312.db2.gz	AVVGHTCRCIVXBU-LRDDRELGSA-N	0	3	310.353	2.720	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCC1	ZINC000412276383	429002879	/nfs/dbraw/zinc/00/28/79/429002879.db2.gz	LSZSOXBITHFTHF-DLBZAZTESA-N	0	3	311.429	2.604	20	30		DFEDHN
C=CCOCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1	ZINC000354717207	429004259	/nfs/dbraw/zinc/00/42/59/429004259.db2.gz	AJSZUORMYIJKBE-GOSISDBHSA-N	0	3	316.445	2.778	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1	ZINC000354707348	429005269	/nfs/dbraw/zinc/00/52/69/429005269.db2.gz	CJQPBIMAPVYIAB-OALUTQOASA-N	0	3	317.429	2.661	20	30		DFEDHN
COCCN(CCOc1ccc(C#N)cc1)[C@H]1CCCSC1	ZINC000433203692	429008459	/nfs/dbraw/zinc/00/84/59/429008459.db2.gz	YPJYMQDPTGBOBC-INIZCTEOSA-N	0	3	320.458	2.781	20	30		DFEDHN
C=CC[C@H](CC)N[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000354814703	429011721	/nfs/dbraw/zinc/01/17/21/429011721.db2.gz	ZPDZKZZAAGGHSD-STQMWFEESA-N	0	3	311.223	2.920	20	30		DFEDHN
Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H](N)CCCC#N)c1C	ZINC000424105418	429091306	/nfs/dbraw/zinc/09/13/06/429091306.db2.gz	JODIRRHKUBAKAE-MRXNPFEDSA-N	0	3	312.417	2.731	20	30		DFEDHN
COc1cc2nc(C)sc2cc1NC(=O)[C@@H](N)CCCC#N	ZINC000424115209	429092329	/nfs/dbraw/zinc/09/23/29/429092329.db2.gz	UNDHQVNSIFKHFC-JTQLQIEISA-N	0	3	318.402	2.573	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN(C2CCC2)C1	ZINC000452319390	429093955	/nfs/dbraw/zinc/09/39/55/429093955.db2.gz	DQJPTULXKLKKQU-HNAYVOBHSA-N	0	3	315.461	2.793	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1	ZINC000424124175	429094296	/nfs/dbraw/zinc/09/42/96/429094296.db2.gz	LPZRXYVLMCGVEN-HOTGVXAUSA-N	0	3	303.381	2.900	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	ZINC000424132610	429096321	/nfs/dbraw/zinc/09/63/21/429096321.db2.gz	WJNWRDIPNVIRLW-RYUDHWBXSA-N	0	3	317.286	2.566	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3nccnc3c2)nc(C)n1	ZINC000355300226	429037586	/nfs/dbraw/zinc/03/75/86/429037586.db2.gz	RXBQSDYVPPPJOX-ZDUSSCGKSA-N	0	3	303.325	2.527	20	30		DFEDHN
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)CCCC#N	ZINC000424128914	429096358	/nfs/dbraw/zinc/09/63/58/429096358.db2.gz	RQRQMUCKBIHNJX-LSDHHAIUSA-N	0	3	307.825	2.798	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000376003279	429039503	/nfs/dbraw/zinc/03/95/03/429039503.db2.gz	KHSQCOCHKCPVGL-INIZCTEOSA-N	0	3	323.396	2.712	20	30		DFEDHN
CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1	ZINC000355338178	429039693	/nfs/dbraw/zinc/03/96/93/429039693.db2.gz	QZRBXTRQYACVCR-HUUCEWRRSA-N	0	3	312.373	2.655	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@H]1COC	ZINC000452026787	429043029	/nfs/dbraw/zinc/04/30/29/429043029.db2.gz	CLSLQCNLPWFIMN-ZWKOTPCHSA-N	0	3	319.445	2.656	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)s1)CO2	ZINC000421881949	429043685	/nfs/dbraw/zinc/04/36/85/429043685.db2.gz	PKLLBXMZAPAIRD-GFCCVEGCSA-N	0	3	300.383	2.722	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@H]2CCCCN2C2CC2)c1C#N	ZINC000433807731	429052711	/nfs/dbraw/zinc/05/27/11/429052711.db2.gz	KDIGSBVPRYLHAA-CYBMUJFWSA-N	0	3	304.825	3.344	20	30		DFEDHN
C=C(C)CN(CC)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1	ZINC000355578777	429054533	/nfs/dbraw/zinc/05/45/33/429054533.db2.gz	GBUDBZLXSHPRQF-UHFFFAOYSA-N	0	3	322.361	2.545	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccc(N)c1)C(C)C	ZINC000423350527	429069656	/nfs/dbraw/zinc/06/96/56/429069656.db2.gz	XSBCQUHCLIPQKB-SFHVURJKSA-N	0	3	315.461	2.626	20	30		DFEDHN
Cc1cc(C#N)cc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)n1	ZINC000376172505	429071023	/nfs/dbraw/zinc/07/10/23/429071023.db2.gz	NACOWIZBPUZHNA-XOKHGSTOSA-N	0	3	314.433	2.563	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1	ZINC000452174479	429079193	/nfs/dbraw/zinc/07/91/93/429079193.db2.gz	QFYNHWHBFRKFJO-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN(C2CC2)C1	ZINC000452176771	429079204	/nfs/dbraw/zinc/07/92/04/429079204.db2.gz	VWRLBMVFUOKAAO-OAHLLOKOSA-N	0	3	323.440	2.533	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)oc1C)C(C)C	ZINC000435459661	429143638	/nfs/dbraw/zinc/14/36/38/429143638.db2.gz	OODIOSIHGRCVBQ-KRWDZBQOSA-N	0	3	315.417	2.888	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)C1CCCCC1	ZINC000424498294	429144356	/nfs/dbraw/zinc/14/43/56/429144356.db2.gz	ANLSXMFECWUFHV-SJORKVTESA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]2C2CC2)c(OC)c1	ZINC000453031484	429144408	/nfs/dbraw/zinc/14/44/08/429144408.db2.gz	YUUBUCAROYRGQD-SJORKVTESA-N	0	3	317.429	2.648	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453369229	429147635	/nfs/dbraw/zinc/14/76/35/429147635.db2.gz	SUKZKGVQEVSXKH-HOCLYGCPSA-N	0	3	302.418	2.791	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1	ZINC000453375823	429148115	/nfs/dbraw/zinc/14/81/15/429148115.db2.gz	XLPQKCVQWFQWJI-FQBWVUSXSA-N	0	3	317.429	2.935	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1	ZINC000424532372	429149713	/nfs/dbraw/zinc/14/97/13/429149713.db2.gz	OXNIDUPQIGGKTJ-FPCVCCKLSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453451580	429150064	/nfs/dbraw/zinc/15/00/64/429150064.db2.gz	KJVGKMACXUTLAD-OAHLLOKOSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCCN(C(C)C)CC1	ZINC000453454551	429150302	/nfs/dbraw/zinc/15/03/02/429150302.db2.gz	QGRHLLAIRQLNIQ-UHFFFAOYSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000453444728	429150561	/nfs/dbraw/zinc/15/05/61/429150561.db2.gz	NKOAWDYKJDTDPG-BZUAXINKSA-N	0	3	317.481	2.754	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453452139	429151262	/nfs/dbraw/zinc/15/12/62/429151262.db2.gz	LSCSGJSCXHNJRE-OAHLLOKOSA-N	0	3	305.470	2.897	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN1C	ZINC000413167495	429152984	/nfs/dbraw/zinc/15/29/84/429152984.db2.gz	HUJUMPOATRQORR-IRXDYDNUSA-N	0	3	301.434	2.567	20	30		DFEDHN
CN(CCNc1ncc(C#N)cc1F)Cc1ccc(F)cc1	ZINC000413167016	429153676	/nfs/dbraw/zinc/15/36/76/429153676.db2.gz	HLFSJPDSQKUOPO-UHFFFAOYSA-N	0	3	302.328	2.775	20	30		DFEDHN
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424142693	429099068	/nfs/dbraw/zinc/09/90/68/429099068.db2.gz	VPSUBUHTYQPSST-NWDGAFQWSA-N	0	3	316.430	2.837	20	30		DFEDHN
CC1(C)CC[C@H](CNC(=O)[C@@H](N)CCCC#N)c2ccccc21	ZINC000424165810	429103398	/nfs/dbraw/zinc/10/33/98/429103398.db2.gz	FJJVPPDSYPADGM-PBHICJAKSA-N	0	3	313.445	2.979	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)[C@@H](N)CCCC#N	ZINC000424172932	429104695	/nfs/dbraw/zinc/10/46/95/429104695.db2.gz	ONIKZQZVVDNGKW-HSMVNMDESA-N	0	3	303.381	2.681	20	30		DFEDHN
Cc1ccc(N2CCCN(Cc3ccc(C#N)c(C)c3)CC2)nn1	ZINC000487893581	429171359	/nfs/dbraw/zinc/17/13/59/429171359.db2.gz	ZEJHYQMWOHWFNV-UHFFFAOYSA-N	0	3	321.428	2.677	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000454665234	429170344	/nfs/dbraw/zinc/17/03/44/429170344.db2.gz	JFHLAOKNHXGCBI-JKSUJKDBSA-N	0	3	301.434	2.724	20	30		DFEDHN
CC(C)[C@H]1CN(CCCOc2cccc(C#N)c2)CCN1C	ZINC000487958708	429175743	/nfs/dbraw/zinc/17/57/43/429175743.db2.gz	ZNGZAIVHEYLMKE-GOSISDBHSA-N	0	3	301.434	2.599	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000454961552	429176687	/nfs/dbraw/zinc/17/66/87/429176687.db2.gz	ONIQPWASGLWEKO-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2cccc(C#N)c2)C1	ZINC000436121354	429180917	/nfs/dbraw/zinc/18/09/17/429180917.db2.gz	XXONBDXRNVHYOA-UHFFFAOYSA-N	0	3	300.406	2.802	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CCCC1	ZINC000455466943	429189648	/nfs/dbraw/zinc/18/96/48/429189648.db2.gz	RUEKQGYFOIDKDH-GOSISDBHSA-N	0	3	305.466	2.860	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455477735	429189681	/nfs/dbraw/zinc/18/96/81/429189681.db2.gz	LDGZKAUDCHYGGB-KRWDZBQOSA-N	0	3	313.445	2.727	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N(C)CC(C)(C)C#N	ZINC000455220987	429183465	/nfs/dbraw/zinc/18/34/65/429183465.db2.gz	DKALGXPPQCPVSR-UHFFFAOYSA-N	0	3	302.422	2.804	20	30		DFEDHN
C[C@@H](NCC1(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000495173340	429183603	/nfs/dbraw/zinc/18/36/03/429183603.db2.gz	KZYAYOJZVCUITH-KGLIPLIRSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000488574417	429184776	/nfs/dbraw/zinc/18/47/76/429184776.db2.gz	HLXGJIGOGCMSAS-QGZVFWFLSA-N	0	3	309.413	2.678	20	30		DFEDHN
C=CCn1cccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000488579180	429184992	/nfs/dbraw/zinc/18/49/92/429184992.db2.gz	PSNBGNXUZKRUCU-KRWDZBQOSA-N	0	3	311.429	2.577	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488733487	429193712	/nfs/dbraw/zinc/19/37/12/429193712.db2.gz	JSOMUCWMMFKHJW-WWGRRREGSA-N	0	3	314.389	2.633	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccncc1C#N	ZINC000364382604	429194861	/nfs/dbraw/zinc/19/48/61/429194861.db2.gz	YEGVETWWHPYFBQ-QAPCUYQASA-N	0	3	306.413	2.698	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccncc1C#N	ZINC000364382601	429195125	/nfs/dbraw/zinc/19/51/25/429195125.db2.gz	YEGVETWWHPYFBQ-CRAIPNDOSA-N	0	3	306.413	2.698	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455750717	429207084	/nfs/dbraw/zinc/20/70/84/429207084.db2.gz	HBJYAIBVBPBUOQ-NSHDSACASA-N	0	3	321.812	2.603	20	30		DFEDHN
CN(C)CCN(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455803985	429213395	/nfs/dbraw/zinc/21/33/95/429213395.db2.gz	VOXVBHKWZSTPNR-UHFFFAOYSA-N	0	3	318.421	2.761	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCC1(C#N)CC1	ZINC000495542759	429220490	/nfs/dbraw/zinc/22/04/90/429220490.db2.gz	YJVSRNRJUPTLKM-ZIAGYGMSSA-N	0	3	307.438	2.963	20	30		DFEDHN
Cc1nc(C(=O)NC[C@H]2CCCCN2CC(C)C)ccc1C#N	ZINC000439682048	429220542	/nfs/dbraw/zinc/22/05/42/429220542.db2.gz	PBNJOLOPSIEBHU-MRXNPFEDSA-N	0	3	314.433	2.502	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccccc2C#N)C1	ZINC000495555715	429221990	/nfs/dbraw/zinc/22/19/90/429221990.db2.gz	GPANVKQMQNAAJA-XJKSGUPXSA-N	0	3	301.390	2.515	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455925253	429225020	/nfs/dbraw/zinc/22/50/20/429225020.db2.gz	XEEBQZHQZJMWFP-UHFFFAOYSA-N	0	3	312.417	2.915	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC[C@H](C)C1	ZINC000455927426	429225398	/nfs/dbraw/zinc/22/53/98/429225398.db2.gz	ZZYBUNHNHROLPB-LSDHHAIUSA-N	0	3	314.433	2.995	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@H](O)Cc2ccccc2)ccc1C#N	ZINC000440633356	429226212	/nfs/dbraw/zinc/22/62/12/429226212.db2.gz	DWCVQIWTWMHODI-RDTXWAMCSA-N	0	3	310.397	2.649	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H]([C@@H]2CCOC2)C1	ZINC000441275684	429229243	/nfs/dbraw/zinc/22/92/43/429229243.db2.gz	FSOVGNFYTAIUNL-JKSUJKDBSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@H](CC)C1	ZINC000441624704	429231055	/nfs/dbraw/zinc/23/10/55/429231055.db2.gz	WZWJZQJHFBKSOI-DLBZAZTESA-N	0	3	321.486	2.982	20	30		DFEDHN
C=CCn1cccc1C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000488755455	429197043	/nfs/dbraw/zinc/19/70/43/429197043.db2.gz	XOCLCCMTVTWTFD-UHFFFAOYSA-N	0	3	323.440	2.503	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2ncc(C#N)cc2Cl)C[C@@H](C)C1	ZINC000488757862	429197311	/nfs/dbraw/zinc/19/73/11/429197311.db2.gz	ISHHDUPTDMRVMA-ZOWXZIJZSA-N	0	3	304.825	2.773	20	30		DFEDHN
CC(C)[C@@H]1CN(C)CCN1CCCOc1cccc(C#N)c1	ZINC000436486069	429199991	/nfs/dbraw/zinc/19/99/91/429199991.db2.gz	QFTMJLWBMNZLKL-SFHVURJKSA-N	0	3	301.434	2.599	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc3c(n2)CCCC3)CC1	ZINC000442365686	429233026	/nfs/dbraw/zinc/23/30/26/429233026.db2.gz	PMYDUIJOWGEMFS-UHFFFAOYSA-N	0	3	313.445	2.731	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1	ZINC000442785934	429235289	/nfs/dbraw/zinc/23/52/89/429235289.db2.gz	APWOIVHMBZDCCB-FRFSOERESA-N	0	3	313.401	2.586	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCCCCC1	ZINC000495631142	429235374	/nfs/dbraw/zinc/23/53/74/429235374.db2.gz	LJYOVKHQTPMIKE-CABCVRRESA-N	0	3	321.421	2.540	20	30		DFEDHN
C=CCOCCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000495652083	429240314	/nfs/dbraw/zinc/24/03/14/429240314.db2.gz	OKVZFVIGELECNV-CABCVRRESA-N	0	3	312.454	2.814	20	30		DFEDHN
Cc1cccnc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000456114434	429243459	/nfs/dbraw/zinc/24/34/59/429243459.db2.gz	AKMJDKDEKHWHDX-QGZVFWFLSA-N	0	3	307.397	2.821	20	30		DFEDHN
COc1cc(CNC[C@](C)(CO)Cc2ccccc2)ccc1C#N	ZINC000443069104	429245735	/nfs/dbraw/zinc/24/57/35/429245735.db2.gz	WZIHMYOCCMPGEF-HXUWFJFHSA-N	0	3	324.424	2.898	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COc1cccc2[nH]ccc21	ZINC000489493226	429246525	/nfs/dbraw/zinc/24/65/25/429246525.db2.gz	HELRWTLOWPSMLH-LSDHHAIUSA-N	0	3	300.402	2.948	20	30		DFEDHN
CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C	ZINC000456142525	429248722	/nfs/dbraw/zinc/24/87/22/429248722.db2.gz	NNQISGHEPUYSSD-BHYGNILZSA-N	0	3	300.402	2.642	20	30		DFEDHN
C=CCN1CCC(NCc2cnc(C(F)(F)F)s2)CC1	ZINC000443956486	429257357	/nfs/dbraw/zinc/25/73/57/429257357.db2.gz	GVOASHODEOOYJY-UHFFFAOYSA-N	0	3	305.369	2.902	20	30		DFEDHN
Cc1ccc(C(=O)NCCNCc2ccc(C#N)c(C)c2)cc1	ZINC000443962652	429258365	/nfs/dbraw/zinc/25/83/65/429258365.db2.gz	HGOPABFVNCVVCU-UHFFFAOYSA-N	0	3	307.397	2.695	20	30		DFEDHN
Cc1cc(CN[C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1C#N	ZINC000443994856	429258907	/nfs/dbraw/zinc/25/89/07/429258907.db2.gz	UFLBKCURQNMVKW-IBGZPJMESA-N	0	3	321.424	2.656	20	30		DFEDHN
C=CCOCCN1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000497129991	429319649	/nfs/dbraw/zinc/31/96/49/429319649.db2.gz	KYRHCSNOSPHFOM-UHFFFAOYSA-N	0	3	310.438	2.664	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000448875022	429320730	/nfs/dbraw/zinc/32/07/30/429320730.db2.gz	QAEMALOBEGCGMG-GASCZTMLSA-N	0	3	308.466	2.546	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc3cccnc3c(OC)c2)CC1	ZINC000491127752	429327442	/nfs/dbraw/zinc/32/74/42/429327442.db2.gz	XPEIAJXTHDBMNT-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2)CC1	ZINC000491155164	429329269	/nfs/dbraw/zinc/32/92/69/429329269.db2.gz	OYRCVGNMQDXQPR-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CC(C)(C)N(C)C[C@H](O)COc1ccc(CC=C)cc1OC	ZINC000491209149	429335483	/nfs/dbraw/zinc/33/54/83/429335483.db2.gz	CGGWPJQTAVZHIG-INIZCTEOSA-N	0	3	317.429	2.507	20	30		DFEDHN
CCn1cc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000456702227	429340817	/nfs/dbraw/zinc/34/08/17/429340817.db2.gz	XZXGPLFFJGWUMI-GDBMZVCRSA-N	0	3	310.401	2.853	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C(C)C	ZINC000491276430	429343410	/nfs/dbraw/zinc/34/34/10/429343410.db2.gz	JCDZUKVWZXSNKK-ILXRZTDVSA-N	0	3	305.422	2.666	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H]2CCCc3ccc(F)cc32)CC1	ZINC000491306466	429346210	/nfs/dbraw/zinc/34/62/10/429346210.db2.gz	MYAPGYQTHXYXKY-GOSISDBHSA-N	0	3	314.404	2.665	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000446056993	429296093	/nfs/dbraw/zinc/29/60/93/429296093.db2.gz	YGWHGJOSEVECDR-TXEJJXNPSA-N	0	3	321.371	2.829	20	30		DFEDHN
C#CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000490656449	429298476	/nfs/dbraw/zinc/29/84/76/429298476.db2.gz	KQOIXUMXVQORED-OAHLLOKOSA-N	0	3	302.393	2.566	20	30		DFEDHN
N#CC1(CCN2CC[C@H](CN3CCOC3=O)C2)CCCCC1	ZINC000496085888	429304847	/nfs/dbraw/zinc/30/48/47/429304847.db2.gz	YRIJVUPLXVLKDT-HNNXBMFYSA-N	0	3	305.422	2.625	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccnn2-c2ccccc2)cc1	ZINC000447938817	429309013	/nfs/dbraw/zinc/30/90/13/429309013.db2.gz	CLHZXQDPQVXLKJ-UHFFFAOYSA-N	0	3	318.380	2.913	20	30		DFEDHN
COCC(C)(C)N1CCN(Cc2ccc(C#N)cc2Cl)CC1	ZINC000425506385	429313139	/nfs/dbraw/zinc/31/31/39/429313139.db2.gz	PDECEMDIDCMUOF-UHFFFAOYSA-N	0	3	321.852	2.754	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCc2c(C)oc3ccccc32)CC1	ZINC000490972448	429317295	/nfs/dbraw/zinc/31/72/95/429317295.db2.gz	GCNAKCBFBHZRSH-UHFFFAOYSA-N	0	3	324.424	2.745	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1	ZINC000491699410	429392410	/nfs/dbraw/zinc/39/24/10/429392410.db2.gz	NIFFVARSJGYKEC-UHFFFAOYSA-N	0	3	323.440	2.686	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ccc(C#N)nc2)CC1	ZINC000365884060	429396736	/nfs/dbraw/zinc/39/67/36/429396736.db2.gz	HQQBMPDYFABWOW-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000491736603	429399250	/nfs/dbraw/zinc/39/92/50/429399250.db2.gz	GNHAVPSXGZTNNB-AWEZNQCLSA-N	0	3	319.474	2.623	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000491752252	429403519	/nfs/dbraw/zinc/40/35/19/429403519.db2.gz	LWRHINHKRMXRHN-SOLBZPMBSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCN(C)CCCNC(=S)Nc1cccc(Cl)c1C	ZINC000491758835	429404366	/nfs/dbraw/zinc/40/43/66/429404366.db2.gz	KAHOIIOHYCMLHT-UHFFFAOYSA-N	0	3	309.866	2.890	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(F)ccc1-c1ccoc1	ZINC000491775547	429407276	/nfs/dbraw/zinc/40/72/76/429407276.db2.gz	DRRIEXHKFPPDLH-UHFFFAOYSA-N	0	3	314.360	2.771	20	30		DFEDHN
COCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000425929796	429352614	/nfs/dbraw/zinc/35/26/14/429352614.db2.gz	YGALDLFOXQRXPH-ZDUSSCGKSA-N	0	3	306.381	2.791	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1	ZINC000491426107	429359465	/nfs/dbraw/zinc/35/94/65/429359465.db2.gz	DHBSTZZMMAHHIW-UHFFFAOYSA-N	0	3	312.413	2.809	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](CO)[C@H]2C)cc1OCCCC#N	ZINC000426005243	429359790	/nfs/dbraw/zinc/35/97/90/429359790.db2.gz	XOVLLOQXGVHMQN-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
CC[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1	ZINC000365705485	429360736	/nfs/dbraw/zinc/36/07/36/429360736.db2.gz	AYIOFPPHJFSGLZ-QZTJIDSGSA-N	0	3	324.428	2.865	20	30		DFEDHN
C#CCNC(=O)C1CCN(C[C@H](C)c2cccc(Cl)c2)CC1	ZINC000491438372	429360888	/nfs/dbraw/zinc/36/08/88/429360888.db2.gz	BYFFDYMWBUKFTF-AWEZNQCLSA-N	0	3	318.848	2.905	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCCCC#N)C1	ZINC000365733316	429366421	/nfs/dbraw/zinc/36/64/21/429366421.db2.gz	QPGLTDQZQVHUHQ-QGZVFWFLSA-N	0	3	314.433	2.596	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000426132660	429369028	/nfs/dbraw/zinc/36/90/28/429369028.db2.gz	ALOBIESVDFZRQF-LBPRGKRZSA-N	0	3	306.797	2.817	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(OC)cc2)CC1	ZINC000491545671	429371919	/nfs/dbraw/zinc/37/19/19/429371919.db2.gz	IVFHPHQSBAYWLS-TWGQIWQCSA-N	0	3	314.429	2.865	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@](CO)(c2ccccc2)C1	ZINC000365798239	429373811	/nfs/dbraw/zinc/37/38/11/429373811.db2.gz	JNTJVXZOLUQTOO-HXUWFJFHSA-N	0	3	322.408	2.703	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN1CCCC[C@H]1c1ccco1)C2	ZINC000515384588	429375976	/nfs/dbraw/zinc/37/59/76/429375976.db2.gz	HWBJWSOVAUDMRL-HIFRSBDPSA-N	0	3	311.389	2.617	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN1CCCC[C@@H]1c1ccco1)C2	ZINC000515384589	429376657	/nfs/dbraw/zinc/37/66/57/429376657.db2.gz	HWBJWSOVAUDMRL-UKRRQHHQSA-N	0	3	311.389	2.617	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@H]2CCCC[C@H]21	ZINC000515548569	429378079	/nfs/dbraw/zinc/37/80/79/429378079.db2.gz	HJRYTIREZZPCKP-YFHUEUNASA-N	0	3	305.466	2.941	20	30		DFEDHN
C[C@]12CN(CC(=O)NCc3ccc(C#N)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000515988504	429378872	/nfs/dbraw/zinc/37/88/72/429378872.db2.gz	MLBQYXQCYWFHLI-AJYBTWMASA-N	0	3	323.440	2.542	20	30		DFEDHN
CC(C)[C@H](CO)[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C	ZINC000516186024	429380208	/nfs/dbraw/zinc/38/02/08/429380208.db2.gz	VSLZUQFEWNSCLC-RDJZCZTQSA-N	0	3	319.405	2.845	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@H](c2ccncc2)C1	ZINC000516532305	429380793	/nfs/dbraw/zinc/38/07/93/429380793.db2.gz	LVMQQRLKDYLJTK-KRWDZBQOSA-N	0	3	323.396	2.830	20	30		DFEDHN
Cn1cc([C@@H]2CN(CCOc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000516384497	429380826	/nfs/dbraw/zinc/38/08/26/429380826.db2.gz	NFBKKVVHHLSNFO-SFHVURJKSA-N	0	3	324.428	2.796	20	30		DFEDHN
CN(CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000516837530	429383899	/nfs/dbraw/zinc/38/38/99/429383899.db2.gz	NLOHWWQSXZAVJN-GOSISDBHSA-N	0	3	322.412	2.543	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](CO)[C@@H]2CC)cc(OC)c1O	ZINC000449419759	429410714	/nfs/dbraw/zinc/41/07/14/429410714.db2.gz	HXFYSOLQPLHWST-CVEARBPZSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449520450	429442819	/nfs/dbraw/zinc/44/28/19/429442819.db2.gz	PODGBKURMFGMFE-XFJVYGCCSA-N	0	3	304.390	2.648	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCOC[C@H](C2CCC2)C1	ZINC000366421843	429450666	/nfs/dbraw/zinc/45/06/66/429450666.db2.gz	QUUITSBOLZJMES-DOTOQJQBSA-N	0	3	308.466	2.548	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000277693953	275715737	/nfs/dbraw/zinc/71/57/37/275715737.db2.gz	NXHMKVOTLADPAX-FQEVSTJZSA-N	0	3	322.452	2.911	20	30		DFEDHN
CC[C@H](NCc1cccc(OCCCC#N)c1)[C@@H](O)C(F)F	ZINC000449425137	429413640	/nfs/dbraw/zinc/41/36/40/429413640.db2.gz	RDUAXVGYRDGGPF-LSDHHAIUSA-N	0	3	312.360	2.863	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000491813804	429413830	/nfs/dbraw/zinc/41/38/30/429413830.db2.gz	INFBMLHMYBSXLS-JKSUJKDBSA-N	0	3	313.445	2.875	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491814003	429414133	/nfs/dbraw/zinc/41/41/33/429414133.db2.gz	CAPHXQGXPOHMSI-MEBBXXQBSA-N	0	3	308.784	2.658	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CO)[C@H]2CC)cc1OC	ZINC000449430669	429415886	/nfs/dbraw/zinc/41/58/86/429415886.db2.gz	WIAGRVOHUUFJPR-HZPDHXFCSA-N	0	3	305.418	2.853	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCC2CC(F)(F)C2)cc1	ZINC000457184559	429422301	/nfs/dbraw/zinc/42/23/01/429422301.db2.gz	MUODYDWIVNDGQI-OAHLLOKOSA-N	0	3	317.339	2.792	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(F)c1C#N	ZINC000427000762	429428123	/nfs/dbraw/zinc/42/81/23/429428123.db2.gz	FMOKTNQYGPDZIY-STQMWFEESA-N	0	3	303.381	2.690	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3nccc(C#N)n3)CC2)CC1	ZINC000518901826	429438149	/nfs/dbraw/zinc/43/81/49/429438149.db2.gz	NUGZIGPLLUHAML-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CCC1	ZINC000457501813	429477043	/nfs/dbraw/zinc/47/70/43/429477043.db2.gz	PWGIPUCRLVWPLX-HNNXBMFYSA-N	0	3	313.445	2.885	20	30		DFEDHN
COC(=O)CCCN1CCC(Nc2cccc(CC#N)c2)CC1	ZINC000449692679	429481584	/nfs/dbraw/zinc/48/15/84/429481584.db2.gz	BZLMEFJBJHWXEQ-UHFFFAOYSA-N	0	3	315.417	2.582	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(Br)cc1OC	ZINC000449698604	429482766	/nfs/dbraw/zinc/48/27/66/429482766.db2.gz	ODXQWLHRGBKXPU-ZDUSSCGKSA-N	0	3	314.223	2.874	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(Br)c(OC)s1	ZINC000449700195	429483921	/nfs/dbraw/zinc/48/39/21/429483921.db2.gz	SIAZYDOQRKLPTD-SECBINFHSA-N	0	3	320.252	2.936	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(OC(F)F)c(OC)c1	ZINC000449701845	429484915	/nfs/dbraw/zinc/48/49/15/429484915.db2.gz	TVWIGLYPRHBOSM-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
C[C@@H](O)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1	ZINC000520819569	429530190	/nfs/dbraw/zinc/53/01/90/429530190.db2.gz	FRYKNYZIOAQHME-CYBMUJFWSA-N	0	3	317.389	2.982	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccc3[nH]ccc3c2)CC1	ZINC000492253839	429496805	/nfs/dbraw/zinc/49/68/05/429496805.db2.gz	UQTAAATWDLGJNJ-FNORWQNLSA-N	0	3	321.424	2.785	20	30		DFEDHN
N#Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)o1	ZINC000428185895	429497190	/nfs/dbraw/zinc/49/71/90/429497190.db2.gz	QBMXXHNYMDOVDU-UHFFFAOYSA-N	0	3	323.396	2.588	20	30		DFEDHN
C[C@H](O)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1	ZINC000520819570	429530618	/nfs/dbraw/zinc/53/06/18/429530618.db2.gz	FRYKNYZIOAQHME-ZDUSSCGKSA-N	0	3	317.389	2.982	20	30		DFEDHN
CCC[C@@H]1CN(Cc2cccc(F)c2C#N)CCN1CCOC	ZINC000428283944	429507974	/nfs/dbraw/zinc/50/79/74/429507974.db2.gz	CIPQEUYMYLXKSL-MRXNPFEDSA-N	0	3	319.424	2.630	20	30		DFEDHN
Cc1cc(CNC[C@H](O)COc2ccc(C#N)cc2)ccc1F	ZINC000520617570	429523336	/nfs/dbraw/zinc/52/33/36/429523336.db2.gz	REMDUIQFMBKWIS-INIZCTEOSA-N	0	3	314.360	2.535	20	30		DFEDHN
O=C1C[C@H]([C@@H]2CCCCN2CC#Cc2cccc(Cl)c2)CN1	ZINC000367022755	429559975	/nfs/dbraw/zinc/55/99/75/429559975.db2.gz	URLDHBSKIRCTQH-RDJZCZTQSA-N	0	3	316.832	2.682	20	30		DFEDHN
CCN(C)CCNC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000458020159	429566037	/nfs/dbraw/zinc/56/60/37/429566037.db2.gz	RXQPFTQIDYVZHZ-MRXNPFEDSA-N	0	3	302.422	2.672	20	30		DFEDHN
C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N(C)Cc1ccccc1	ZINC000458368038	429629530	/nfs/dbraw/zinc/62/95/30/429629530.db2.gz	DIIIZNHMFCUGRA-OAHLLOKOSA-N	0	3	316.449	2.698	20	30		DFEDHN
N#Cc1cnc(N[C@@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1	ZINC000450361713	429608766	/nfs/dbraw/zinc/60/87/66/429608766.db2.gz	ONICIWHZWIQLPE-CQSZACIVSA-N	0	3	315.377	2.538	20	30		DFEDHN
Cc1nsc(NC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1C#N	ZINC000459553745	429699772	/nfs/dbraw/zinc/69/97/72/429699772.db2.gz	IJSBUYBWQXBJSW-QWRGUYRKSA-N	0	3	321.450	2.708	20	30		DFEDHN
CCOc1cc(CNCCOc2ccc(C#N)cc2)ccc1O	ZINC000459411646	429697293	/nfs/dbraw/zinc/69/72/93/429697293.db2.gz	FAKDWGWYEKHZFG-UHFFFAOYSA-N	0	3	312.369	2.831	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H](C[C@H]4CCOC4)C3)n2c1	ZINC000367687345	429700379	/nfs/dbraw/zinc/70/03/79/429700379.db2.gz	QGULKPPXPWSDDO-HZPDHXFCSA-N	0	3	324.428	2.845	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccn(C)n1	ZINC000459746311	429702386	/nfs/dbraw/zinc/70/23/86/429702386.db2.gz	ITYKOFXTHREKJP-CQSZACIVSA-N	0	3	309.417	2.611	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H](C)S1	ZINC000526927869	429708266	/nfs/dbraw/zinc/70/82/66/429708266.db2.gz	JZVBUNQNXDBVQV-DVOMOZLQSA-N	0	3	313.426	2.593	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)S1	ZINC000526927871	429708385	/nfs/dbraw/zinc/70/83/85/429708385.db2.gz	JZVBUNQNXDBVQV-XJKCOSOUSA-N	0	3	313.426	2.593	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC[C@@H](C)C1	ZINC000479338377	429719701	/nfs/dbraw/zinc/71/97/01/429719701.db2.gz	ACGQEORTLOMODD-HUUCEWRRSA-N	0	3	308.470	2.736	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2nccc(C#N)n2)CC1	ZINC000450884597	429719886	/nfs/dbraw/zinc/71/98/86/429719886.db2.gz	SLDGMGVWXUNDAF-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000482640717	429725657	/nfs/dbraw/zinc/72/56/57/429725657.db2.gz	HQEHEKILVFREKQ-KRWDZBQOSA-N	0	3	301.434	2.564	20	30		DFEDHN
CCN1CCN(CC(C)(C)Nc2cccc(F)c2C#N)CC1	ZINC000450921350	429731470	/nfs/dbraw/zinc/73/14/70/429731470.db2.gz	HDASBTXMYFRYTL-UHFFFAOYSA-N	0	3	304.413	2.525	20	30		DFEDHN
C[C@@H](NCC1(C#N)CCC1)C1CCN(CC(F)(F)F)CC1	ZINC000450943192	429734910	/nfs/dbraw/zinc/73/49/10/429734910.db2.gz	SEUKSZALAYJZTD-GFCCVEGCSA-N	0	3	303.372	2.933	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]2CNCc2ccc(C#N)cc2)cc1	ZINC000527775776	429797150	/nfs/dbraw/zinc/79/71/50/429797150.db2.gz	ULCWESYULFASGG-LJQANCHMSA-N	0	3	321.424	2.931	20	30		DFEDHN
COC[C@]1(NCc2ccc(C#N)c(C)c2)COc2ccccc2C1	ZINC000527800433	429799565	/nfs/dbraw/zinc/79/95/65/429799565.db2.gz	ORMCOINPRJKCTR-FQEVSTJZSA-N	0	3	322.408	2.977	20	30		DFEDHN
COC[C@@]1(NCc2cc(C#N)cs2)COc2ccccc2C1	ZINC000527798866	429800863	/nfs/dbraw/zinc/80/08/63/429800863.db2.gz	IFMBHNDFXYTQJF-QGZVFWFLSA-N	0	3	314.410	2.730	20	30		DFEDHN
CCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCc2ccccc21	ZINC000527377786	429748169	/nfs/dbraw/zinc/74/81/69/429748169.db2.gz	DOSKJVVCZZQJFR-QGZVFWFLSA-N	0	3	311.429	2.948	20	30		DFEDHN
Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)ccn1	ZINC000527535537	429757283	/nfs/dbraw/zinc/75/72/83/429757283.db2.gz	VTDKOORAAGIRRD-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
COc1cc(CNC[C@]2(C)COc3ccccc3O2)ccc1C#N	ZINC000527735941	429788117	/nfs/dbraw/zinc/78/81/17/429788117.db2.gz	IXFHKOAKSDQVHK-LJQANCHMSA-N	0	3	324.380	2.887	20	30		DFEDHN
O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(CC#Cc2cccc(Cl)c2)C1	ZINC000451303745	429807996	/nfs/dbraw/zinc/80/79/96/429807996.db2.gz	NDQYYKBTIISNMM-KBAYOESNSA-N	0	3	319.832	2.553	20	30		DFEDHN
N#Cc1ccc(/C=C\C(=O)NC[C@H]2CCCCN2C2CC2)cc1	ZINC000493757736	429824108	/nfs/dbraw/zinc/82/41/08/429824108.db2.gz	OUZDHCMMMNHRLE-IBWPDUFMSA-N	0	3	309.413	2.705	20	30		DFEDHN
CO[C@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C	ZINC000451504494	429837614	/nfs/dbraw/zinc/83/76/14/429837614.db2.gz	QPEUJERJELOAEI-STQMWFEESA-N	0	3	321.446	2.578	20	30		DFEDHN
N#Cc1nc(NC[C@@H]2CCN2C2CCCCC2)ccc1Cl	ZINC000528113711	429848576	/nfs/dbraw/zinc/84/85/76/429848576.db2.gz	JDQQWMOANONMAB-ZDUSSCGKSA-N	0	3	304.825	3.426	20	30		DFEDHN
CC#CCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000368443354	429848794	/nfs/dbraw/zinc/84/87/94/429848794.db2.gz	WHXOVEGZGGOTJC-GOEBONIOSA-N	0	3	319.836	2.655	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000451601597	429860834	/nfs/dbraw/zinc/86/08/34/429860834.db2.gz	BAQXUESPXZSCOM-SUHUHFCYSA-N	0	3	324.808	2.609	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC[C@H]1CCN1C1CCCC1	ZINC000528211195	429861252	/nfs/dbraw/zinc/86/12/52/429861252.db2.gz	SCPQHHAJDDCICV-MRXNPFEDSA-N	0	3	306.413	2.957	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1nc2ccc(Br)cc2[nH]1	ZINC000451606861	429861261	/nfs/dbraw/zinc/86/12/61/429861261.db2.gz	JCTWCCYLBICJMM-YPMHNXCESA-N	0	3	322.206	2.759	20	30		DFEDHN
N#Cc1nnc2ccccc2c1NC[C@@H]1CCN1C1CCCC1	ZINC000528212953	429862158	/nfs/dbraw/zinc/86/21/58/429862158.db2.gz	YXDLUUQKJLGLQW-AWEZNQCLSA-N	0	3	307.401	2.930	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](Cc2ccncc2)C1	ZINC000368628015	429880266	/nfs/dbraw/zinc/88/02/66/429880266.db2.gz	ZBKVJGKIIRHNPE-WMZOPIPTSA-N	0	3	313.445	2.535	20	30		DFEDHN
COc1ccccc1[C@H]1CCCN1C[C@H](O)CC1(C#N)CC1	ZINC000528371303	429881079	/nfs/dbraw/zinc/88/10/79/429881079.db2.gz	HLJNEQUCERXUPO-GDBMZVCRSA-N	0	3	300.402	2.887	20	30		DFEDHN
CN(c1ccccc1)C1CCN(C[C@@H](O)CC2(C#N)CC2)CC1	ZINC000528398395	429885507	/nfs/dbraw/zinc/88/55/07/429885507.db2.gz	OUUDWMZSJFDLSV-SFHVURJKSA-N	0	3	313.445	2.642	20	30		DFEDHN
COCc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CC2)o1	ZINC000528452890	429889928	/nfs/dbraw/zinc/88/99/28/429889928.db2.gz	NKJNDUNRYSNKAB-HIFRSBDPSA-N	0	3	304.390	2.618	20	30		DFEDHN
CC#CCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21	ZINC000368772826	429893192	/nfs/dbraw/zinc/89/31/92/429893192.db2.gz	AMSHONGQWIPCOM-HNNXBMFYSA-N	0	3	300.402	2.536	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000368806346	429895940	/nfs/dbraw/zinc/89/59/40/429895940.db2.gz	QXOZVQGHBJRODJ-CQSZACIVSA-N	0	3	322.474	2.810	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)CC1	ZINC000369077891	429910839	/nfs/dbraw/zinc/91/08/39/429910839.db2.gz	XFNZYAPNFBWPHT-SFYZZRBRSA-N	0	3	317.477	2.857	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000528755022	429913191	/nfs/dbraw/zinc/91/31/91/429913191.db2.gz	GCAIJDDLZAKNEC-DJQAVVSRSA-N	0	3	321.808	2.552	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000528755024	429913491	/nfs/dbraw/zinc/91/34/91/429913491.db2.gz	GCAIJDDLZAKNEC-IDYSPNNHSA-N	0	3	321.808	2.552	20	30		DFEDHN
COc1cc(CN2CC[C@H](C3CCOCC3)C2)ccc1C#N	ZINC000369111002	429913514	/nfs/dbraw/zinc/91/35/14/429913514.db2.gz	FDJAHWKUDVRWPM-KRWDZBQOSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@H]1CC(F)(F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000528768900	429915049	/nfs/dbraw/zinc/91/50/49/429915049.db2.gz	PIUVWLSJVQIXPO-DZGCQCFKSA-N	0	3	324.371	2.612	20	30		DFEDHN
COc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccn1	ZINC000528778592	429915302	/nfs/dbraw/zinc/91/53/02/429915302.db2.gz	KFXUXPPMHUQJDC-UHFFFAOYSA-N	0	3	323.396	2.757	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@@H](O)C2CCCCC2)CC1	ZINC000369208571	429919112	/nfs/dbraw/zinc/91/91/12/429919112.db2.gz	ZCJNPKXRLRQXMZ-QGZVFWFLSA-N	0	3	313.445	2.880	20	30		DFEDHN
COc1ccc([C@H](NC[C@H](O)c2ccc(C#N)cc2)C2CC2)cn1	ZINC000528844084	429919644	/nfs/dbraw/zinc/91/96/44/429919644.db2.gz	AEINIGSQTWAXMT-PKOBYXMFSA-N	0	3	323.396	2.736	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1	ZINC000451701445	429874406	/nfs/dbraw/zinc/87/44/06/429874406.db2.gz	QIKBRVZTZDLNGX-VYDXJSESSA-N	0	3	300.402	2.550	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000369486741	429955464	/nfs/dbraw/zinc/95/54/64/429955464.db2.gz	SMVNZLGGLTZHBH-MRXNPFEDSA-N	0	3	321.852	2.950	20	30		DFEDHN
CC#CCCCC(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000557399419	429939377	/nfs/dbraw/zinc/93/93/77/429939377.db2.gz	OXVYOBVAHWLCPN-UHFFFAOYSA-N	0	3	301.434	2.556	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2COC[C@@H]21	ZINC000574377187	430035422	/nfs/dbraw/zinc/03/54/22/430035422.db2.gz	ISPRURUBSPBVGP-IXDOHACOSA-N	0	3	312.413	2.642	20	30		DFEDHN
C=C(C)Cn1c(N2CCN(CC(C)C)CC2)nnc1C(C)(C)C	ZINC000558988491	429996951	/nfs/dbraw/zinc/99/69/51/429996951.db2.gz	LJLXNRNSJIKNAU-UHFFFAOYSA-N	0	3	319.497	2.930	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000573947351	429997375	/nfs/dbraw/zinc/99/73/75/429997375.db2.gz	SNPVHRQHFGBPSW-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637322908	430024367	/nfs/dbraw/zinc/02/43/67/430024367.db2.gz	FFMROQGWIYNUHR-UHFFFAOYSA-N	0	3	319.453	2.874	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N1CCC(CCC#N)CC1	ZINC000575744243	430098967	/nfs/dbraw/zinc/09/89/67/430098967.db2.gz	LCDOLHIYLRXUBH-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OCCCC)C1(C)C	ZINC000561945616	430103708	/nfs/dbraw/zinc/10/37/08/430103708.db2.gz	WXUZUQUZAWYRFB-JKSUJKDBSA-N	0	3	310.482	2.984	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)CN1CCC(C)(C)C1	ZINC000576250148	430103883	/nfs/dbraw/zinc/10/38/83/430103883.db2.gz	FLANDOQJCOVMBT-UHFFFAOYSA-N	0	3	300.446	2.976	20	30		DFEDHN
N#CCc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1	ZINC000576281295	430104422	/nfs/dbraw/zinc/10/44/22/430104422.db2.gz	BGSDPVVSHMPHLO-GOSISDBHSA-N	0	3	311.429	2.776	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(CC#N)cc1	ZINC000576513505	430107269	/nfs/dbraw/zinc/10/72/69/430107269.db2.gz	HTJQYBIJFQOVDU-KRWDZBQOSA-N	0	3	316.449	2.528	20	30		DFEDHN
CCN1C[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000577123402	430111081	/nfs/dbraw/zinc/11/10/81/430111081.db2.gz	LITKCBYVOMYTPI-BQFCYCMXSA-N	0	3	313.445	2.700	20	30		DFEDHN
N#C[C@@H]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1	ZINC000574989935	430054180	/nfs/dbraw/zinc/05/41/80/430054180.db2.gz	YMBIWLOHWGWTCE-APWZRJJASA-N	0	3	313.445	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCOCC1)C(C)C	ZINC000181635025	276890999	/nfs/dbraw/zinc/89/09/99/276890999.db2.gz	SPGWUFJBKYOFNI-SJORKVTESA-N	0	3	323.481	2.553	20	30		DFEDHN
O[C@@H]1C[C@H](C2CC2)N(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000640047889	430071202	/nfs/dbraw/zinc/07/12/02/430071202.db2.gz	XPDUSBROYJEOOK-HZPDHXFCSA-N	0	3	309.331	2.902	20	30		DFEDHN
CCCN(CCN1CCCC1)Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000580957945	430166341	/nfs/dbraw/zinc/16/63/41/430166341.db2.gz	RULJWRHPEZBROX-UHFFFAOYSA-N	0	3	316.405	2.774	20	30		DFEDHN
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](N)CCC(C)C)cc1	ZINC000637903857	430168535	/nfs/dbraw/zinc/16/85/35/430168535.db2.gz	SKVLGCVUQCMKQY-HNNXBMFYSA-N	0	3	318.421	2.696	20	30		DFEDHN
Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1cccc(C#N)c1	ZINC000562703640	430168974	/nfs/dbraw/zinc/16/89/74/430168974.db2.gz	HXXXDBVXTNYZRN-GOSISDBHSA-N	0	3	323.396	2.519	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000538097606	430172784	/nfs/dbraw/zinc/17/27/84/430172784.db2.gz	MBPAEZRFVPRYKJ-CQSZACIVSA-N	0	3	304.394	2.857	20	30		DFEDHN
C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCC[C@H]1C	ZINC000580154153	430130394	/nfs/dbraw/zinc/13/03/94/430130394.db2.gz	NRHGKQFDLMIDST-IIDMSEBBSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000580556087	430134189	/nfs/dbraw/zinc/13/41/89/430134189.db2.gz	COVNYWHPIUHTRN-JKSUJKDBSA-N	0	3	315.373	2.857	20	30		DFEDHN
CCc1nnc(N2CCCN(C(C)(C)C)CC2)c(C#N)c1CC	ZINC000531823488	430149006	/nfs/dbraw/zinc/14/90/06/430149006.db2.gz	JDAKKJDKUZOFQT-UHFFFAOYSA-N	0	3	315.465	2.784	20	30		DFEDHN
CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1ccc(Cl)cc1	ZINC000564202464	430194970	/nfs/dbraw/zinc/19/49/70/430194970.db2.gz	KTJADFQJCVCZHX-XJKSGUPXSA-N	0	3	304.825	2.976	20	30		DFEDHN
C[C@@H](NCCC1CCS(=O)(=O)CC1)c1ccc(C#N)cc1F	ZINC000541904708	430195398	/nfs/dbraw/zinc/19/53/98/430195398.db2.gz	XPTDHCNKUCJUBO-GFCCVEGCSA-N	0	3	324.421	2.563	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1c(C(C)C)nc2sc(C)nn12	ZINC000565344497	430208522	/nfs/dbraw/zinc/20/85/22/430208522.db2.gz	QMRIZJSQNYHWFH-YPMHNXCESA-N	0	3	306.435	2.656	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(C)C	ZINC000567428934	430284712	/nfs/dbraw/zinc/28/47/12/430284712.db2.gz	YODBICDWYAKSCY-IIDMSEBBSA-N	0	3	323.481	2.614	20	30		DFEDHN
CN(C)CCN(Cc1ccc(CC#N)cc1)Cc1ccccn1	ZINC000566425452	430260057	/nfs/dbraw/zinc/26/00/57/430260057.db2.gz	YYMFGWZONXNAAW-UHFFFAOYSA-N	0	3	308.429	2.711	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1F	ZINC000543762663	430264882	/nfs/dbraw/zinc/26/48/82/430264882.db2.gz	DGFOKPFZLDJFFC-YUTCNCBUSA-N	0	3	324.421	2.704	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(C#N)c1	ZINC000544445211	430282282	/nfs/dbraw/zinc/28/22/82/430282282.db2.gz	SPJXOUFCRWKIGS-CABCVRRESA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](COC)C(C)C	ZINC000567520303	430283900	/nfs/dbraw/zinc/28/39/00/430283900.db2.gz	JYGSBTXDTWGISE-GDBMZVCRSA-N	0	3	324.490	2.912	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)[C@]2(C#N)CC23CCCC3)cc1	ZINC000565931490	430231543	/nfs/dbraw/zinc/23/15/43/430231543.db2.gz	KXCCSNODRRMJEM-LJQANCHMSA-N	0	3	311.429	2.838	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@@H](Cc4ccccc4)C3)cnc12	ZINC000582606765	430316357	/nfs/dbraw/zinc/31/63/57/430316357.db2.gz	VLYZPIVQIRGVFP-INIZCTEOSA-N	0	3	317.396	2.666	20	30		DFEDHN
N#Cc1csc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1	ZINC000547256885	430380718	/nfs/dbraw/zinc/38/07/18/430380718.db2.gz	ALZHTHBARJNVAW-PHIMTYICSA-N	0	3	313.386	2.525	20	30		DFEDHN
CC(C)N1CC[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O	ZINC000568702623	430383607	/nfs/dbraw/zinc/38/36/07/430383607.db2.gz	YZCUDBJLQXSNKI-ZWKOTPCHSA-N	0	3	311.429	2.925	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](C)C[C@H]1CCCC(=O)N1	ZINC000638615391	430390475	/nfs/dbraw/zinc/39/04/75/430390475.db2.gz	AWPQVGBMRQYGDT-GDBMZVCRSA-N	0	3	302.418	2.788	20	30		DFEDHN
C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cnc2c(C#N)cnn2c1	ZINC000568765543	430392318	/nfs/dbraw/zinc/39/23/18/430392318.db2.gz	KFANLQPXCRLYAP-KSSFIOAISA-N	0	3	317.396	2.979	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)c1ccn(CCN(C)C)n1	ZINC000583449391	430398152	/nfs/dbraw/zinc/39/81/52/430398152.db2.gz	JOZBLKBCMVQMCT-UHFFFAOYSA-N	0	3	318.465	2.653	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000569248520	430436849	/nfs/dbraw/zinc/43/68/49/430436849.db2.gz	OKXAMYJSMZQLMM-LJQANCHMSA-N	0	3	323.396	2.854	20	30		DFEDHN
C=CCCOCCNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000638812434	430441573	/nfs/dbraw/zinc/44/15/73/430441573.db2.gz	YPNZVTJTVMEOLI-UHFFFAOYSA-N	0	3	317.355	2.921	20	30		DFEDHN
N#Cc1ccncc1N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1	ZINC000569425824	430452256	/nfs/dbraw/zinc/45/22/56/430452256.db2.gz	JGFOAQOXBJRQLL-MOPGFXCFSA-N	0	3	318.424	2.879	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1	ZINC000641768555	430466429	/nfs/dbraw/zinc/46/64/29/430466429.db2.gz	CAOSDUJNZNFBDV-ZBFHGGJFSA-N	0	3	305.418	2.736	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cccc(OCc2ccccn2)c1	ZINC000641768629	430467201	/nfs/dbraw/zinc/46/72/01/430467201.db2.gz	DPLGMLIETISJTP-QGZVFWFLSA-N	0	3	310.397	2.525	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(Br)c(Cl)c1	ZINC000641768261	430467620	/nfs/dbraw/zinc/46/76/20/430467620.db2.gz	YQROZEVQSOCAKW-LLVKDONJSA-N	0	3	316.626	2.966	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn([C@H](C)CC)c2C)CC1	ZINC000584207535	430469439	/nfs/dbraw/zinc/46/94/39/430469439.db2.gz	HDCDGIQHXJEAOT-CYBMUJFWSA-N	0	3	319.453	2.934	20	30		DFEDHN
C=C[C@H](CO)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1	ZINC000641774587	430469670	/nfs/dbraw/zinc/46/96/70/430469670.db2.gz	NAOBYACTWDMOFS-CYBMUJFWSA-N	0	3	311.307	2.732	20	30		DFEDHN
COc1ccccc1[C@H](CNc1ccncc1C#N)N1CCCC1	ZINC000547824211	430425434	/nfs/dbraw/zinc/42/54/34/430425434.db2.gz	JPHVXALXWRQBPF-SFHVURJKSA-N	0	3	322.412	2.633	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NC2CCC(C(N)=O)CC2)cc1	ZINC000569187015	430430610	/nfs/dbraw/zinc/43/06/10/430430610.db2.gz	RAJOLDKMBQPBOU-VMBOVVBDSA-N	0	3	315.417	2.674	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)c2cccc(F)c2C#N)CC1	ZINC000548631417	430486725	/nfs/dbraw/zinc/48/67/25/430486725.db2.gz	FVRADFTVWOAHLC-UHFFFAOYSA-N	0	3	303.381	2.644	20	30		DFEDHN
CC[C@@]1(C(C)C)C[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000569804384	430487526	/nfs/dbraw/zinc/48/75/26/430487526.db2.gz	QWAMXSNEGNYVCC-IRXDYDNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccn2)cc1	ZINC000570140343	430516274	/nfs/dbraw/zinc/51/62/74/430516274.db2.gz	NCZPFJHKWOKENN-LPHOPBHVSA-N	0	3	323.396	2.530	20	30		DFEDHN
CN1CC[C@H](Nc2cc(C#N)nc(C3CC3)n2)[C@H]1c1ccccc1	ZINC000601134395	430537824	/nfs/dbraw/zinc/53/78/24/430537824.db2.gz	BLBGNVXLCOTRPE-FUHWJXTLSA-N	0	3	319.412	3.083	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCC1(C#N)CC1)c1ccsc1	ZINC000570777103	430575235	/nfs/dbraw/zinc/57/52/35/430575235.db2.gz	HZKDYDJRDFHVMU-AWEZNQCLSA-N	0	3	320.462	2.734	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1nnn(-c2ccccc2)c1C1CC1	ZINC000639273326	430594537	/nfs/dbraw/zinc/59/45/37/430594537.db2.gz	AFHWRSKNCPDDNM-YJBOKZPZSA-N	0	3	324.428	2.825	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(N2c3ccccc3C[C@H]2C)CC1	ZINC000643383722	430596143	/nfs/dbraw/zinc/59/61/43/430596143.db2.gz	YDRQYNQFSTXJPV-DNVCBOLYSA-N	0	3	300.446	2.839	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1NCCCC1(C)C	ZINC000644014911	430649923	/nfs/dbraw/zinc/64/99/23/430649923.db2.gz	HQGCPZTVWMLZDF-KRWDZBQOSA-N	0	3	316.445	2.988	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC3CCC2CC3)cc1	ZINC000571234823	430615225	/nfs/dbraw/zinc/61/52/25/430615225.db2.gz	CIAAIOQNBPWGPQ-DQVOVIAYSA-N	0	3	307.397	2.935	20	30		DFEDHN
CN1CCC[C@@H](CNc2nccc(C#N)n2)[C@@H]1c1cccs1	ZINC000571630431	430642286	/nfs/dbraw/zinc/64/22/86/430642286.db2.gz	TWGIPIAAEUBUPW-SWLSCSKDSA-N	0	3	313.430	2.905	20	30		DFEDHN
Cc1c(C#N)c(N[C@H]2C[C@H](C)N(C3CC3)C2)nc2ccccc12	ZINC000571987335	430665882	/nfs/dbraw/zinc/66/58/82/430665882.db2.gz	QWBIBHIOFLVJAY-JSGCOSHPSA-N	0	3	306.413	3.452	20	30		DFEDHN
CO[C@](C)([C@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1	ZINC000572164906	430674769	/nfs/dbraw/zinc/67/47/69/430674769.db2.gz	DCVPWVYYZVTKHC-MEDUHNTESA-N	0	3	303.362	2.760	20	30		DFEDHN
COc1ccccc1OC[C@H](C)CNC[C@H](C#N)CCC#N	ZINC000572386289	430685743	/nfs/dbraw/zinc/68/57/43/430685743.db2.gz	CGRXSVGRCHQQEE-CABCVRRESA-N	0	3	301.390	2.743	20	30		DFEDHN
CS[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1N(C)C	ZINC000271633757	278156633	/nfs/dbraw/zinc/15/66/33/278156633.db2.gz	OJNCMBJGLXVAEG-HZPDHXFCSA-N	0	3	312.442	2.588	20	30		DFEDHN
Cc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)N2CCCC2)cc1	ZINC000572866244	430697575	/nfs/dbraw/zinc/69/75/75/430697575.db2.gz	ZAKMIERSNXJTSN-GOSISDBHSA-N	0	3	321.428	3.214	20	30		DFEDHN
C[C@@H](NC[C@H]1CCCN1c1cccnn1)c1cccc(C#N)c1	ZINC000376179298	278354323	/nfs/dbraw/zinc/35/43/23/278354323.db2.gz	ZKIOUWIKWKTUKY-RHSMWYFYSA-N	0	3	307.401	2.668	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2C[C@H](O)C23CCC3)cc(OC)c1O	ZINC000657706713	430714579	/nfs/dbraw/zinc/71/45/79/430714579.db2.gz	QHKRDLYJHDGYHN-CVEARBPZSA-N	0	3	303.402	2.522	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2O[C@H](C)C3)nc(C)n1	ZINC000651596181	430826442	/nfs/dbraw/zinc/82/64/42/430826442.db2.gz	LQIULGDCELZFJV-IAQYHMDHSA-N	0	3	307.353	2.907	20	30		DFEDHN
C=CCC1(NCC(=O)Nc2nnc(-c3ccco3)o2)CCCC1	ZINC000661852128	430864778	/nfs/dbraw/zinc/86/47/78/430864778.db2.gz	LHRSNYXNHKQXHY-UHFFFAOYSA-N	0	3	316.361	2.747	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@H]2CCCCO2)CC1	ZINC000661871285	430874292	/nfs/dbraw/zinc/87/42/92/430874292.db2.gz	SIHHWMDBZALAOD-FUHWJXTLSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H](C)n2ccnc2CC)CC1	ZINC000648773398	430887048	/nfs/dbraw/zinc/88/70/48/430887048.db2.gz	HNYMCYFOIMOLPF-HNNXBMFYSA-N	0	3	318.465	2.553	20	30		DFEDHN
CC[C@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000293338601	288066874	/nfs/dbraw/zinc/06/68/74/288066874.db2.gz	GLSVJCNVIWICMJ-GVDBMIGSSA-N	0	3	320.458	2.955	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1	ZINC000651843015	430894064	/nfs/dbraw/zinc/89/40/64/430894064.db2.gz	RDDBBZNTDSQKND-KFWWJZLASA-N	0	3	321.442	2.556	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CNCC3)C1	ZINC000659021028	430942180	/nfs/dbraw/zinc/94/21/80/430942180.db2.gz	UTIKEQFKLBFWIP-ZDUSSCGKSA-N	0	3	300.406	2.547	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000652116257	430965325	/nfs/dbraw/zinc/96/53/25/430965325.db2.gz	OABMOXMIXXXDQJ-OAHLLOKOSA-N	0	3	324.852	2.694	20	30		DFEDHN
C=CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000665946850	431072895	/nfs/dbraw/zinc/07/28/95/431072895.db2.gz	YYJJBZLIWGMMPZ-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000665947473	431073407	/nfs/dbraw/zinc/07/34/07/431073407.db2.gz	NSUPQWHOBJQYDJ-UHFFFAOYSA-N	0	3	309.841	2.989	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(OCc2ccccc2OC)CC1	ZINC000649406672	431091365	/nfs/dbraw/zinc/09/13/65/431091365.db2.gz	JLYKSRBQSHDULT-QGZVFWFLSA-N	0	3	305.418	2.613	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CCN(C)C)c1	ZINC000666239357	431162056	/nfs/dbraw/zinc/16/20/56/431162056.db2.gz	YIHUTCFSNBJUKA-HOCLYGCPSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCN(CCc1nnn(C(C)(C)C)n1)CCc1ccccc1	ZINC000659856827	431148703	/nfs/dbraw/zinc/14/87/03/431148703.db2.gz	HVKZCJNSNOMERU-UHFFFAOYSA-N	0	3	313.449	2.701	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(C#N)cc1	ZINC000370537574	279511301	/nfs/dbraw/zinc/51/13/01/279511301.db2.gz	FWDMHGWTOGRKBR-KBXCAEBGSA-N	0	3	320.396	2.519	20	30		DFEDHN
COCCN1CCN(CC#Cc2ccccc2Cl)C(C)(C)C1	ZINC000649850591	431330321	/nfs/dbraw/zinc/33/03/21/431330321.db2.gz	VVHAAKHPCOTMBH-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C=CCCn1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)nn1	ZINC000653669379	431482584	/nfs/dbraw/zinc/48/25/84/431482584.db2.gz	SPROCPMDTLXVKE-KSZLIROESA-N	0	3	318.465	2.760	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](OC)C2CCCC2)CC1	ZINC000660596564	431509868	/nfs/dbraw/zinc/50/98/68/431509868.db2.gz	FQCRCLUCCVWGKV-KRWDZBQOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000660598415	431510495	/nfs/dbraw/zinc/51/04/95/431510495.db2.gz	YRSKDYQZLVJJSF-CYBMUJFWSA-N	0	3	315.408	2.617	20	30		DFEDHN
CCS(=O)(=O)C[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360646363	280001629	/nfs/dbraw/zinc/00/16/29/280001629.db2.gz	IDAJLCKVKRMQRW-DYVFJYSZSA-N	0	3	320.458	2.739	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H]3CN(C)CC[C@H]32)c1C#N	ZINC000273405542	280234311	/nfs/dbraw/zinc/23/43/11/280234311.db2.gz	WVILZRJGIPYQKS-SWLSCSKDSA-N	0	3	304.825	2.836	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H]2CCCO[C@H]2C(C)(C)C)nn1	ZINC000657363742	431702347	/nfs/dbraw/zinc/70/23/47/431702347.db2.gz	BCUBAMZSORXMJJ-GOEBONIOSA-N	0	3	306.454	2.785	20	30		DFEDHN
C=CCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000661043717	431709782	/nfs/dbraw/zinc/70/97/82/431709782.db2.gz	FALPJVDOXBMHGK-SFHVURJKSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1nn2c(nc(C)cc2=O)s1	ZINC000661120150	431739768	/nfs/dbraw/zinc/73/97/68/431739768.db2.gz	ZXHCWMUPDMNZJK-OLZOCXBDSA-N	0	3	318.446	2.684	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCC)C2)cc1	ZINC000661164667	431754977	/nfs/dbraw/zinc/75/49/77/431754977.db2.gz	ISUZPAUBVHALJI-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)OC[C@@H]2CC)CC1	ZINC000650851715	431721494	/nfs/dbraw/zinc/72/14/94/431721494.db2.gz	BHGYBMMVJIBKMQ-IRXDYDNUSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(Cc1cccc(CN2CCOCC2)c1)[C@H](C)COC	ZINC000661240580	431790449	/nfs/dbraw/zinc/79/04/49/431790449.db2.gz	RURGYFXDSLBRQJ-QGZVFWFLSA-N	0	3	318.461	2.542	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1c(C)cccc1C)[C@@H](C)COC	ZINC000661247599	431796392	/nfs/dbraw/zinc/79/63/92/431796392.db2.gz	PJKYJUOKMAZTAW-DLBZAZTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCc1cc(CNCCO[C@@H]2CC2(F)F)cc(OC)c1O	ZINC000657617920	431826506	/nfs/dbraw/zinc/82/65/06/431826506.db2.gz	GJKUTPPZAHBVGM-CQSZACIVSA-N	0	3	313.344	2.643	20	30		DFEDHN
C=CCc1cc(CNCCO[C@H]2CC2(F)F)cc(OC)c1O	ZINC000657617919	431827457	/nfs/dbraw/zinc/82/74/57/431827457.db2.gz	GJKUTPPZAHBVGM-AWEZNQCLSA-N	0	3	313.344	2.643	20	30		DFEDHN
C=CCC1(NCc2cc3c(cc2OC)OCO3)CCOCC1	ZINC000657633596	431830210	/nfs/dbraw/zinc/83/02/10/431830210.db2.gz	RTZTVTKJHZXNNH-UHFFFAOYSA-N	0	3	305.374	2.639	20	30		DFEDHN
C=CC[C@@H]1CCCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000661379341	431836829	/nfs/dbraw/zinc/83/68/29/431836829.db2.gz	WTSULNZFBBMCJE-SJLPKXTDSA-N	0	3	317.429	2.917	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N(C)Cc2ccc(OC)cc2)C1	ZINC000661378593	431837483	/nfs/dbraw/zinc/83/74/83/431837483.db2.gz	JOLSEWLPIHWQPI-INIZCTEOSA-N	0	3	316.445	2.942	20	30		DFEDHN
C[C@H](NCCC(=O)NCc1ccccc1)c1ccc(C#N)cc1	ZINC000154123287	295292405	/nfs/dbraw/zinc/29/24/05/295292405.db2.gz	ARVZPQFXELXJMP-HNNXBMFYSA-N	0	3	307.397	2.915	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNC2CCCCCC2)c1	ZINC000158814376	295367711	/nfs/dbraw/zinc/36/77/11/295367711.db2.gz	SQHRLRMXAZPSPZ-UHFFFAOYSA-N	0	3	306.431	2.644	20	30		DFEDHN
COc1ccc(CNC[C@]2(C)COc3ccccc3O2)cc1C#N	ZINC000527732708	300680784	/nfs/dbraw/zinc/68/07/84/300680784.db2.gz	BFWNALNMRDSVQG-LJQANCHMSA-N	0	3	324.380	2.887	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)c(F)c1	ZINC000537408361	301299536	/nfs/dbraw/zinc/29/95/36/301299536.db2.gz	WPLNGWMDOWCMHI-BBRMVZONSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)CCN1C	ZINC000537588143	301303985	/nfs/dbraw/zinc/30/39/85/301303985.db2.gz	XZPARVQOCCPFOW-FZMZJTMJSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)c(F)c1	ZINC000538508377	301322626	/nfs/dbraw/zinc/32/26/26/301322626.db2.gz	KFQIVSSYIJQSKK-TUKIKUTGSA-N	0	3	324.421	2.704	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CN1C1CC1	ZINC000539783491	301348462	/nfs/dbraw/zinc/34/84/62/301348462.db2.gz	NADMYUOYVPMBPE-ZWNOBZJWSA-N	0	3	303.793	2.567	20	30		DFEDHN
CS[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1N(C)C	ZINC000540296337	301361187	/nfs/dbraw/zinc/36/11/87/301361187.db2.gz	PRNGLHLPPZSOBO-HOTGVXAUSA-N	0	3	312.442	2.588	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000547961729	301554936	/nfs/dbraw/zinc/55/49/36/301554936.db2.gz	MULBKEYUOFLPJH-UHFFFAOYSA-N	0	3	317.820	2.912	20	30		DFEDHN
COc1cccc([C@H](CNc2cncc(C#N)n2)N2CCCC2)c1	ZINC000563614974	302087356	/nfs/dbraw/zinc/08/73/56/302087356.db2.gz	VLVAVPUAPFOMDU-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)c(F)c1	ZINC000564229594	302124652	/nfs/dbraw/zinc/12/46/52/302124652.db2.gz	FGURQYCOVWTXDC-KNXALSJPSA-N	0	3	301.365	2.501	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnccc1C#N)N(C)C	ZINC000362115807	302138898	/nfs/dbraw/zinc/13/88/98/302138898.db2.gz	FOBXRBWQRVBQOP-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN1CCC[C@H]1c1ccsc1)C2	ZINC000564989463	302179852	/nfs/dbraw/zinc/17/98/52/302179852.db2.gz	MGTIHVHEABBTFI-DOMZBBRYSA-N	0	3	313.430	2.695	20	30		DFEDHN
CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000565046867	302188612	/nfs/dbraw/zinc/18/86/12/302188612.db2.gz	CJUYWIBXKCPCPW-COLVAYQJSA-N	0	3	303.362	2.616	20	30		DFEDHN
Cc1csc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1C#N	ZINC000565162098	302199655	/nfs/dbraw/zinc/19/96/55/302199655.db2.gz	LMGYWEYHTGAELW-MRXNPFEDSA-N	0	3	318.446	2.878	20	30		DFEDHN
CN(Cc1ccccc1Cl)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000565302691	302216788	/nfs/dbraw/zinc/21/67/88/302216788.db2.gz	DPFSDXHREVLXQU-GFCCVEGCSA-N	0	3	315.808	2.582	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)C1	ZINC000565676039	302237240	/nfs/dbraw/zinc/23/72/40/302237240.db2.gz	BBXFXYVNCFLBKL-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
C[C@@]1(NCc2cnc3c(C#N)cnn3c2)CCCc2ccccc21	ZINC000566245874	302269921	/nfs/dbraw/zinc/26/99/21/302269921.db2.gz	XLDGKNPYJYGDIT-LJQANCHMSA-N	0	3	317.396	2.942	20	30		DFEDHN
CCN(C[C@H]1CCCN1CC)C(=O)c1ncc(C#N)cc1Cl	ZINC000567776973	302388348	/nfs/dbraw/zinc/38/83/48/302388348.db2.gz	VIWROXSIHDOYDN-CYBMUJFWSA-N	0	3	320.824	2.553	20	30		DFEDHN
CC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(OC)cc1	ZINC000571415540	302617390	/nfs/dbraw/zinc/61/73/90/302617390.db2.gz	ZGIVCMNRUSZTQP-KRWDZBQOSA-N	0	3	321.384	2.850	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@H](O)COc1ccccc1)CC2	ZINC000573491997	302707826	/nfs/dbraw/zinc/70/78/26/302707826.db2.gz	RAINUSUVIDDYJO-QFBILLFUSA-N	0	3	308.381	2.575	20	30		DFEDHN
CC(C)(CCNCCS(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000328471725	316263577	/nfs/dbraw/zinc/26/35/77/316263577.db2.gz	AJSLJAQQAMZFCY-UHFFFAOYSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H](c1ccco1)N(C[C@@H]1CNc2c(C#N)cnn2C1)C1CC1	ZINC000572763827	318002904	/nfs/dbraw/zinc/00/29/04/318002904.db2.gz	CNTJSWZAVUNNNI-OLZOCXBDSA-N	0	3	311.389	2.615	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(CCN1CCCC1)c1ccccc1	ZINC000573316750	318015493	/nfs/dbraw/zinc/01/54/93/318015493.db2.gz	YHCFEKLNJAGFSN-UHFFFAOYSA-N	0	3	322.412	2.937	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](COCc3ccccc3)C2)nc1	ZINC000577646768	318207838	/nfs/dbraw/zinc/20/78/38/318207838.db2.gz	VZAXOBBCIMKZFU-SFHVURJKSA-N	0	3	307.397	2.992	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCOC[C@H]2C)CC1	ZINC000578710351	318279118	/nfs/dbraw/zinc/27/91/18/318279118.db2.gz	GMOQVAFZXPFRLB-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
Cc1ccc(C[C@@H](C)NCc2cnc3c(C#N)cnn3c2)s1	ZINC000578750035	318282369	/nfs/dbraw/zinc/28/23/69/318282369.db2.gz	YMGSMSBKVFHLON-LLVKDONJSA-N	0	3	311.414	2.692	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2cncn2)cc1	ZINC000022816990	323208563	/nfs/dbraw/zinc/20/85/63/323208563.db2.gz	YDCVBRIALYGNAN-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H]1CSCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000190412329	323230738	/nfs/dbraw/zinc/23/07/38/323230738.db2.gz	CHPRLGSCFZJGDV-LLVKDONJSA-N	0	3	309.460	2.633	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCc2ccc(C#N)o2)C1	ZINC000382485013	323300706	/nfs/dbraw/zinc/30/07/06/323300706.db2.gz	ZCILXYREYVMAPC-OLZOCXBDSA-N	0	3	319.405	2.934	20	30		DFEDHN
CC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCCC1	ZINC000389535723	323336090	/nfs/dbraw/zinc/33/60/90/323336090.db2.gz	JFQMPJSYGUGHNU-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399399839	323358760	/nfs/dbraw/zinc/35/87/60/323358760.db2.gz	AAMKIPVELRVABV-MAUKXSAKSA-N	0	3	306.413	2.759	20	30		DFEDHN
CCNC(=O)C(C)(C)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-]	ZINC000157191786	332808435	/nfs/dbraw/zinc/80/84/35/332808435.db2.gz	MNDKDXWNXKTTEB-XDHOZWIPSA-N	0	3	319.449	2.820	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2cccs2)C2CC2)CC1	ZINC000490575175	332830828	/nfs/dbraw/zinc/83/08/28/332830828.db2.gz	NENVOSCFCXUOTH-INIZCTEOSA-N	0	3	302.443	2.661	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000248932788	332886597	/nfs/dbraw/zinc/88/65/97/332886597.db2.gz	YALZEXRHFZYUGP-YCPHGPKFSA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(F)c(OC)c2)CC1	ZINC000187074752	331501922	/nfs/dbraw/zinc/50/19/22/331501922.db2.gz	UQJFATWWLVODRM-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
N#CCCCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000370758754	331503879	/nfs/dbraw/zinc/50/38/79/331503879.db2.gz	WSIYFQTVIHIIFB-KRWDZBQOSA-N	0	3	314.433	2.644	20	30		DFEDHN
C#Cc1ccc(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1	ZINC000297760141	331606608	/nfs/dbraw/zinc/60/66/08/331606608.db2.gz	VQLIIINFSGSPIH-HNNXBMFYSA-N	0	3	313.445	2.540	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000299358431	331687342	/nfs/dbraw/zinc/68/73/42/331687342.db2.gz	XOHXVJWQRLFEOC-AEFFLSMTSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(F)cc2)CC1	ZINC000255376388	331736550	/nfs/dbraw/zinc/73/65/50/331736550.db2.gz	ULZISSUZJAGGLL-YVMONPNESA-N	0	3	302.393	2.996	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccccc2F)C1	ZINC000558634011	331930687	/nfs/dbraw/zinc/93/06/87/331930687.db2.gz	DSQBZYXHKOWIIB-LSDHHAIUSA-N	0	3	300.381	2.685	20	30		DFEDHN
CCSc1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000566107926	331964926	/nfs/dbraw/zinc/96/49/26/331964926.db2.gz	SAONDKCUUMGWAJ-HOCLYGCPSA-N	0	3	321.490	2.656	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)NCCCCC#N	ZINC000084437290	332002303	/nfs/dbraw/zinc/00/23/03/332002303.db2.gz	PFCHTKUKMGOWGW-UHFFFAOYSA-N	0	3	308.451	2.515	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@](C)(O)COC)cc1Cl	ZINC000449383398	332103026	/nfs/dbraw/zinc/10/30/26/332103026.db2.gz	GXLSZADDZWEGLB-INIZCTEOSA-N	0	3	313.825	2.782	20	30		DFEDHN
CC[C@@](C)(C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000559369626	332135745	/nfs/dbraw/zinc/13/57/45/332135745.db2.gz	HHMJQPNNAZTPNJ-GYSYKLTISA-N	0	3	319.371	2.704	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCc1nccs1	ZINC000427088522	332167223	/nfs/dbraw/zinc/16/72/23/332167223.db2.gz	KAVGTTVEWAKFLJ-HNNXBMFYSA-N	0	3	313.426	2.964	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000236755279	332202295	/nfs/dbraw/zinc/20/22/95/332202295.db2.gz	MRHAZZJAGBXBJA-PBHICJAKSA-N	0	3	304.434	2.907	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC(C)(C)C)cn2)CC1	ZINC000293020490	335099531	/nfs/dbraw/zinc/09/95/31/335099531.db2.gz	HWCUKCVCIOOFDM-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](OC(C)C)c2ccccc2)CC1	ZINC000293266187	335102867	/nfs/dbraw/zinc/10/28/67/335102867.db2.gz	ZYQUJFIAXYNMFI-SFHVURJKSA-N	0	3	316.445	2.919	20	30		DFEDHN
COc1ccc(CNC[C@H]2CCCO2)cc1OCCCC#N	ZINC000119988607	332380702	/nfs/dbraw/zinc/38/07/02/332380702.db2.gz	HVYOLPRMBJITJR-OAHLLOKOSA-N	0	3	304.390	2.646	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCNC(=O)C(C)(C)C)c([O-])c1	ZINC000121167854	332392779	/nfs/dbraw/zinc/39/27/79/332392779.db2.gz	BCWQUNXLDQYIDS-CPNJWEJPSA-N	0	3	319.449	2.820	20	30		DFEDHN
C=CCC(F)(F)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000293387657	335108555	/nfs/dbraw/zinc/10/85/55/335108555.db2.gz	FOCDWJCAMVFIDW-UHFFFAOYSA-N	0	3	309.360	2.626	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1	ZINC000293445422	335106358	/nfs/dbraw/zinc/10/63/58/335106358.db2.gz	KHTRDKYMHQRTMJ-BBRMVZONSA-N	0	3	300.402	2.507	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2ccc(OC)cc2)CC1	ZINC000155177670	332445006	/nfs/dbraw/zinc/44/50/06/332445006.db2.gz	DFJCAUNKRIWHDJ-HNNXBMFYSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=CC[C@H](C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1)c1ccccc1	ZINC000427627483	332469824	/nfs/dbraw/zinc/46/98/24/332469824.db2.gz	BCNUOJMQRRVJJE-YESZJQIVSA-N	0	3	318.486	2.850	20	30		DFEDHN
COc1ccc(CN[C@H]2CCO[C@H]2C)cc1OCCCC#N	ZINC000131962017	332563460	/nfs/dbraw/zinc/56/34/60/332563460.db2.gz	IPYWWSCFEUPSKA-ZFWWWQNUSA-N	0	3	304.390	2.645	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)C2(C#N)CCC2)N2CCCC2)cc1	ZINC000134718160	332608708	/nfs/dbraw/zinc/60/87/08/332608708.db2.gz	BFNFUUOKUHGSHP-KRWDZBQOSA-N	0	3	311.429	2.942	20	30		DFEDHN
COc1cc(CNCc2ccc(CC#N)cc2)cc2c1OCCO2	ZINC000570449754	332757226	/nfs/dbraw/zinc/75/72/26/332757226.db2.gz	XKUPUWJHGRODNF-UHFFFAOYSA-N	0	3	324.380	2.822	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(F)cc1F	ZINC000293912745	335115829	/nfs/dbraw/zinc/11/58/29/335115829.db2.gz	GEXKXBUYLZDFDS-CYBMUJFWSA-N	0	3	308.372	2.530	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1cncc(C)c1	ZINC000562990980	333020835	/nfs/dbraw/zinc/02/08/35/333020835.db2.gz	KCWBATRUKDNIGU-SFHVURJKSA-N	0	3	312.413	2.648	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@]2(C1)CCCN(C)C2	ZINC000294073887	335119887	/nfs/dbraw/zinc/11/98/87/335119887.db2.gz	JIEKRYFLHUYABQ-LJQANCHMSA-N	0	3	314.429	2.809	20	30		DFEDHN
COc1ccnc(N2CCN(CCCC(C)(C)C#N)CC2)c1	ZINC000174847758	333091917	/nfs/dbraw/zinc/09/19/17/333091917.db2.gz	RGKWPBNHIFUPDD-UHFFFAOYSA-N	0	3	302.422	2.542	20	30		DFEDHN
C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000177555751	333130278	/nfs/dbraw/zinc/13/02/78/333130278.db2.gz	NBWRWJWBIGMDSJ-SJLPKXTDSA-N	0	3	324.428	2.520	20	30		DFEDHN
Cc1ccccc1[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)C1CC1	ZINC000526057636	333149694	/nfs/dbraw/zinc/14/96/94/333149694.db2.gz	HDXZQTMOJULXLN-RHSMWYFYSA-N	0	3	311.429	2.987	20	30		DFEDHN
N#CCCC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000580322585	333161237	/nfs/dbraw/zinc/16/12/37/333161237.db2.gz	WOSQSGRRULTKHL-UHFFFAOYSA-N	0	3	316.430	2.964	20	30		DFEDHN
CC(C)C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N(C)C	ZINC000180389708	333161339	/nfs/dbraw/zinc/16/13/39/333161339.db2.gz	PWHSCPOAFLUPRH-KRWDZBQOSA-N	0	3	313.445	2.948	20	30		DFEDHN
COC[C@H](Cc1ccccc1)NCc1ccc(OCC#N)cc1	ZINC000180555642	333163119	/nfs/dbraw/zinc/16/31/19/333163119.db2.gz	AIWKSPOTLZYROC-SFHVURJKSA-N	0	3	310.397	2.936	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1	ZINC000181542665	333170039	/nfs/dbraw/zinc/17/00/39/333170039.db2.gz	VOZUFZSXBZADFR-VKJFTORMSA-N	0	3	301.434	2.823	20	30		DFEDHN
C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC#N)cc1	ZINC000181998966	333174385	/nfs/dbraw/zinc/17/43/85/333174385.db2.gz	TXWGMZFSTWGJQX-UKRRQHHQSA-N	0	3	315.417	2.639	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)C[C@H]2CCCN(C)C2)cc1	ZINC000294757226	335127132	/nfs/dbraw/zinc/12/71/32/335127132.db2.gz	AVXZNWFXXGDCQM-KRWDZBQOSA-N	0	3	316.445	2.594	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000294442137	335122873	/nfs/dbraw/zinc/12/28/73/335122873.db2.gz	VGRORRKTGQWMJX-BMFZPTHFSA-N	0	3	316.380	2.604	20	30		DFEDHN
CC1CC(C#N)(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000309796949	333197484	/nfs/dbraw/zinc/19/74/84/333197484.db2.gz	QPEUJDGABQDXIK-URSIVYNOSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000497170560	333199705	/nfs/dbraw/zinc/19/97/05/333199705.db2.gz	RZEAFNAKLPUOJI-ZNMIVQPWSA-N	0	3	312.454	2.691	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2cccc(CN3CCOCC3)c2)C1	ZINC000185712208	333212698	/nfs/dbraw/zinc/21/26/98/333212698.db2.gz	RUHLVDNKQQFKGZ-QFBILLFUSA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccccc2CN2CCCC2=O)C1	ZINC000185774746	333213917	/nfs/dbraw/zinc/21/39/17/333213917.db2.gz	VINNOEITJJKQNC-YJBOKZPZSA-N	0	3	311.429	2.981	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1	ZINC000185824268	333214602	/nfs/dbraw/zinc/21/46/02/333214602.db2.gz	GYHSQWCEFMBDJU-GZBFAFLISA-N	0	3	301.365	2.603	20	30		DFEDHN
CC(=O)Nc1cccc(OCCN[C@H]2CCC[C@H](C#N)C2)c1	ZINC000185817836	333214633	/nfs/dbraw/zinc/21/46/33/333214633.db2.gz	LWRFUUKEUKIFDQ-GJZGRUSLSA-N	0	3	301.390	2.696	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H]1CCC[C@H]1c1ccc(Cl)cc1	ZINC000364117938	333240838	/nfs/dbraw/zinc/24/08/38/333240838.db2.gz	FECOCHMDDWAIMO-RCBQFDQVSA-N	0	3	304.821	2.704	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H](O)Cc1cccc(F)c1	ZINC000295161566	335130607	/nfs/dbraw/zinc/13/06/07/335130607.db2.gz	SGEOZZHIRLEPKC-SFHVURJKSA-N	0	3	313.372	2.531	20	30		DFEDHN
C#CCCCNC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000364282065	333282228	/nfs/dbraw/zinc/28/22/28/333282228.db2.gz	MDFHPAWLRRFZPU-UHFFFAOYSA-N	0	3	313.445	2.626	20	30		DFEDHN
CC(C)(CCC#N)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000364338814	333291315	/nfs/dbraw/zinc/29/13/15/333291315.db2.gz	PNBKULDJYMJDMS-CYBMUJFWSA-N	0	3	305.382	2.758	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000192969601	333296738	/nfs/dbraw/zinc/29/67/38/333296738.db2.gz	NALLKWKTZHOOMV-YNEHKIRRSA-N	0	3	319.355	2.742	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000364427926	333313723	/nfs/dbraw/zinc/31/37/23/333313723.db2.gz	LIAVMBQVLUTXMA-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000111256557	333328301	/nfs/dbraw/zinc/32/83/01/333328301.db2.gz	RAJSIXYJCOANKK-CQSZACIVSA-N	0	3	302.418	2.598	20	30		DFEDHN
CC(C)[C@H](CCN(C)C(=O)C(C)C#N)NC(=O)OC(C)(C)C	ZINC000493074550	333331714	/nfs/dbraw/zinc/33/17/14/333331714.db2.gz	RBYIIPQSHDPLRC-OLZOCXBDSA-N	0	3	311.426	2.544	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)[C@H]1CCCc2cccnc21	ZINC000364999617	333333956	/nfs/dbraw/zinc/33/39/56/333333956.db2.gz	ILWLXDHJZWLMLB-INIZCTEOSA-N	0	3	314.433	2.543	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CCCN(CC)CC2)c1C	ZINC000118827092	333341857	/nfs/dbraw/zinc/34/18/57/333341857.db2.gz	XLJYPIZBPYHXMF-UHFFFAOYSA-N	0	3	303.450	2.501	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCc1ccc2ccccc2c1O	ZINC000295460785	335135169	/nfs/dbraw/zinc/13/51/69/335135169.db2.gz	LTHZZBURUWUMCA-UHFFFAOYSA-N	0	3	324.424	2.549	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(CC#N)cc1)[C@H](N)c1ccccc1	ZINC000563169160	333425092	/nfs/dbraw/zinc/42/50/92/333425092.db2.gz	GEKUOCZKBGNXNE-KDOFPFPSSA-N	0	3	307.397	2.705	20	30		DFEDHN
C[C@@H](C#N)CN(C(=O)Nc1cccc(CN(C)C)c1)C1CC1	ZINC000338239756	333477574	/nfs/dbraw/zinc/47/75/74/333477574.db2.gz	RBHLLNFIXRBPGM-ZDUSSCGKSA-N	0	3	300.406	2.904	20	30		DFEDHN
N#CCCOCCN1CCC(OCCc2ccccc2)CC1	ZINC000338932444	333502790	/nfs/dbraw/zinc/50/27/90/333502790.db2.gz	AHHFCVAKCRBFBE-UHFFFAOYSA-N	0	3	302.418	2.640	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1	ZINC000237208951	333517549	/nfs/dbraw/zinc/51/75/49/333517549.db2.gz	BMJAGQHHDRGXFT-UXHICEINSA-N	0	3	321.424	2.784	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCN(C2CCCCC2)CC1)OCC	ZINC000339507618	333527517	/nfs/dbraw/zinc/52/75/17/333527517.db2.gz	HHUHRLZDOHCGAO-QGZVFWFLSA-N	0	3	308.466	2.835	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@H](C)CCC#N)CC1	ZINC000411279933	333648933	/nfs/dbraw/zinc/64/89/33/333648933.db2.gz	SJYZWLKCLQETMC-OAHLLOKOSA-N	0	3	300.402	2.885	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOCCCC(C)(C)C#N)cc1	ZINC000269343579	334000656	/nfs/dbraw/zinc/00/06/56/334000656.db2.gz	PTIVVUBLNWQXGQ-UHFFFAOYSA-N	0	3	302.422	2.715	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1	ZINC000270242727	334009557	/nfs/dbraw/zinc/00/95/57/334009557.db2.gz	LMKHFUMLYNHZDQ-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1	ZINC000270321488	334011074	/nfs/dbraw/zinc/01/10/74/334011074.db2.gz	YDBUKSKPBHCKCG-IBGZPJMESA-N	0	3	321.424	2.655	20	30		DFEDHN
COc1ccc(CN2CCC(OC)CC2)cc1OCCCC#N	ZINC000271055267	334017676	/nfs/dbraw/zinc/01/76/76/334017676.db2.gz	ZGGIZESAHZJBQV-UHFFFAOYSA-N	0	3	318.417	2.989	20	30		DFEDHN
Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)o1	ZINC000271817165	334027267	/nfs/dbraw/zinc/02/72/67/334027267.db2.gz	BTXSFGAKIBRZDA-BBRMVZONSA-N	0	3	300.358	2.875	20	30		DFEDHN
Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)o1	ZINC000271817167	334027378	/nfs/dbraw/zinc/02/73/78/334027378.db2.gz	BTXSFGAKIBRZDA-CJNGLKHVSA-N	0	3	300.358	2.875	20	30		DFEDHN
C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(OCC#N)cc1	ZINC000271887232	334028393	/nfs/dbraw/zinc/02/83/93/334028393.db2.gz	QZFHXFGFQWXULR-BKTGTZMESA-N	0	3	308.381	2.898	20	30		DFEDHN
N#CCCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000273109569	334043493	/nfs/dbraw/zinc/04/34/93/334043493.db2.gz	GDTNRKUGVXPXBY-CQSZACIVSA-N	0	3	320.462	2.563	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273622465	334048941	/nfs/dbraw/zinc/04/89/41/334048941.db2.gz	VXXAFRAAAQLREJ-DOTOQJQBSA-N	0	3	314.433	2.642	20	30		DFEDHN
COc1ccc(CNCCC(C)(C)O)cc1OCCCC#N	ZINC000274783931	334066507	/nfs/dbraw/zinc/06/65/07/334066507.db2.gz	WESOSMBFUVSWMG-UHFFFAOYSA-N	0	3	306.406	2.628	20	30		DFEDHN
COc1ccc([C@H](CO)N(C)Cc2ccc(CC#N)cc2)cc1	ZINC000343549667	335171679	/nfs/dbraw/zinc/17/16/79/335171679.db2.gz	KHKNAZGYCYFRNR-IBGZPJMESA-N	0	3	310.397	2.927	20	30		DFEDHN
C=CCN(CCOC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000343600005	335176186	/nfs/dbraw/zinc/17/61/86/335176186.db2.gz	JBDCDQZVKDUHBY-OAHLLOKOSA-N	0	3	315.421	2.636	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(NC(=O)Nc3ccccc3)CC2)C1	ZINC000278683327	334099740	/nfs/dbraw/zinc/09/97/40/334099740.db2.gz	RSTWFPVCZMHKBD-PBHICJAKSA-N	0	3	312.417	2.965	20	30		DFEDHN
Cc1ccccc1C(=O)NC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000278759408	334100933	/nfs/dbraw/zinc/10/09/33/334100933.db2.gz	XSBCLGWRXRROSV-NVXWUHKLSA-N	0	3	311.429	2.882	20	30		DFEDHN
CC(C)(C#N)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1	ZINC000279840687	334112270	/nfs/dbraw/zinc/11/22/70/334112270.db2.gz	HMYBDGRERJYFRN-UHFFFAOYSA-N	0	3	311.429	2.844	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280253218	334115761	/nfs/dbraw/zinc/11/57/61/334115761.db2.gz	UKWZGMHFEQSDNX-WMLDXEAASA-N	0	3	313.445	2.900	20	30		DFEDHN
N#CCCCNC(=O)NCc1ccccc1CN1CCCCC1	ZINC000343604897	335176708	/nfs/dbraw/zinc/17/67/08/335176708.db2.gz	NYOXQWKCQGEMIK-UHFFFAOYSA-N	0	3	314.433	2.775	20	30		DFEDHN
Cc1cnc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280283575	334116067	/nfs/dbraw/zinc/11/60/67/334116067.db2.gz	ZAZCVBMESLYDLW-IUODEOHRSA-N	0	3	324.409	2.883	20	30		DFEDHN
CSc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000280940762	334121517	/nfs/dbraw/zinc/12/15/17/334121517.db2.gz	FQQLMHITTFCJET-STQMWFEESA-N	0	3	305.447	2.820	20	30		DFEDHN
C=CCOc1ccc(CNCCc2ncc(C)cn2)cc1OC	ZINC000340106584	334127622	/nfs/dbraw/zinc/12/76/22/334127622.db2.gz	SBFHMOPBVWUNQJ-UHFFFAOYSA-N	0	3	313.401	2.691	20	30		DFEDHN
N#CC1(CCCN2CC[C@@H](Oc3ccccn3)C2)CCOCC1	ZINC000281994598	334130293	/nfs/dbraw/zinc/13/02/93/334130293.db2.gz	NBRWPNABFWHCOR-MRXNPFEDSA-N	0	3	315.417	2.635	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1	ZINC000282196363	334132318	/nfs/dbraw/zinc/13/23/18/334132318.db2.gz	GOAZLATUPQJVGL-BYEZUKCCSA-N	0	3	319.355	2.518	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1	ZINC000282196373	334132326	/nfs/dbraw/zinc/13/23/26/334132326.db2.gz	GOAZLATUPQJVGL-CBDIBXMSSA-N	0	3	319.355	2.518	20	30		DFEDHN
C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(CNC)c1	ZINC000414877916	334148162	/nfs/dbraw/zinc/14/81/62/334148162.db2.gz	YOMZOZHKLVJEJN-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000366641195	334148728	/nfs/dbraw/zinc/14/87/28/334148728.db2.gz	IRSOJVIDEZMJDK-INIZCTEOSA-N	0	3	313.445	2.704	20	30		DFEDHN
CCOC[C@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000286157623	334151500	/nfs/dbraw/zinc/15/15/00/334151500.db2.gz	NYFGFGSTIDNAKV-KRWDZBQOSA-N	0	3	317.433	2.584	20	30		DFEDHN
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C)cc1	ZINC000287335718	334157284	/nfs/dbraw/zinc/15/72/84/334157284.db2.gz	PAUIVFYKUWXNTB-NSHDSACASA-N	0	3	323.418	2.540	20	30		DFEDHN
COc1ccc(CN(C)C[C@H](C)OC)cc1OCCCC#N	ZINC000289577936	334166646	/nfs/dbraw/zinc/16/66/46/334166646.db2.gz	JVNYUOIPHZPZEE-AWEZNQCLSA-N	0	3	306.406	2.844	20	30		DFEDHN
CO[C@H](C)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000289799025	334167919	/nfs/dbraw/zinc/16/79/19/334167919.db2.gz	MODDVOOFUMLECH-OAHLLOKOSA-N	0	3	312.417	2.930	20	30		DFEDHN
C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(OCC#N)cc1	ZINC000290341326	334172511	/nfs/dbraw/zinc/17/25/11/334172511.db2.gz	PLVUEBJYBFIXBJ-SOVGHPHASA-N	0	3	324.380	2.734	20	30		DFEDHN
C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(N2CCCNC2=O)cc1	ZINC000291160443	334176975	/nfs/dbraw/zinc/17/69/75/334176975.db2.gz	IJGZUYRMKFEAGB-OFQRWUPVSA-N	0	3	312.417	2.949	20	30		DFEDHN
C[C@H]1CN(c2cccc(F)c2)CCN1CCCSCC#N	ZINC000292130048	334184783	/nfs/dbraw/zinc/18/47/83/334184783.db2.gz	IJYUPKTZXFYZQM-AWEZNQCLSA-N	0	3	307.438	2.983	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C	ZINC000292402555	334187689	/nfs/dbraw/zinc/18/76/89/334187689.db2.gz	JGAMDTLZPPKYLY-AEFFLSMTSA-N	0	3	316.445	2.859	20	30		DFEDHN
N#CCCOCCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000293828002	334202668	/nfs/dbraw/zinc/20/26/68/334202668.db2.gz	PNJXQFUHTOUVJH-DLBZAZTESA-N	0	3	306.381	2.644	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1CSCC	ZINC000293965082	334203963	/nfs/dbraw/zinc/20/39/63/334203963.db2.gz	LLTPAXDGOMNTTM-UHFFFAOYSA-N	0	3	304.459	2.625	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](O)CC2)cc1OCCCC#N	ZINC000294016795	334204632	/nfs/dbraw/zinc/20/46/32/334204632.db2.gz	NGYIVSGPJHEDBK-INIZCTEOSA-N	0	3	318.417	2.725	20	30		DFEDHN
COc1cc(OC)c(OC)cc1CN[C@H]1CC[C@@H](CC#N)C1	ZINC000294973627	334215093	/nfs/dbraw/zinc/21/50/93/334215093.db2.gz	FYHPTOLNJMJUNP-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CC1(O)CCCCC1)C(C)C	ZINC000340506503	334224460	/nfs/dbraw/zinc/22/44/60/334224460.db2.gz	QYDDBFZUWBTJIJ-QGZVFWFLSA-N	0	3	322.493	2.887	20	30		DFEDHN
C[C@H](C#N)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000297693725	334243101	/nfs/dbraw/zinc/24/31/01/334243101.db2.gz	DLILYXAFYLWEEL-HIFRSBDPSA-N	0	3	321.371	2.514	20	30		DFEDHN
CCN(CCC#N)C(=O)CN(C)CCCCc1ccccc1	ZINC000298748976	334251064	/nfs/dbraw/zinc/25/10/64/334251064.db2.gz	FMDMHKDJGAMCHN-UHFFFAOYSA-N	0	3	301.434	2.703	20	30		DFEDHN
Cc1ncc(CO)c(/C=N/C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[O-]	ZINC000299077643	334252799	/nfs/dbraw/zinc/25/27/99/334252799.db2.gz	QTUVUPVXBZCTDN-KJXPIBEZSA-N	0	3	319.449	2.517	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000299237476	334254200	/nfs/dbraw/zinc/25/42/00/334254200.db2.gz	HVKIUINYUWKNPZ-HNNXBMFYSA-N	0	3	300.406	2.703	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1	ZINC000340996673	334398576	/nfs/dbraw/zinc/39/85/76/334398576.db2.gz	XYDBYHUDTDQLGD-KRWDZBQOSA-N	0	3	314.429	2.952	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1	ZINC000341687440	334470428	/nfs/dbraw/zinc/47/04/28/334470428.db2.gz	NLKYSZPAUZEHPU-UHFFFAOYSA-N	0	3	301.381	2.514	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000341886090	334489785	/nfs/dbraw/zinc/48/97/85/334489785.db2.gz	NGIXKCRNYHZOOH-LSDHHAIUSA-N	0	3	302.418	2.649	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C	ZINC000112368032	334567151	/nfs/dbraw/zinc/56/71/51/334567151.db2.gz	JPSXGJFUHKHTHW-BBRMVZONSA-N	0	3	322.424	2.900	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](COC)C1CCOCC1	ZINC000187997798	334607421	/nfs/dbraw/zinc/60/74/21/334607421.db2.gz	AEJWIXVDQWZPFN-QGZVFWFLSA-N	0	3	305.418	2.783	20	30		DFEDHN
C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000415786972	334622243	/nfs/dbraw/zinc/62/22/43/334622243.db2.gz	PYFZZZWDJWFZHX-WDEREUQCSA-N	0	3	306.797	2.620	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)CN1	ZINC000415786968	334622312	/nfs/dbraw/zinc/62/23/12/334622312.db2.gz	PYFZZZWDJWFZHX-GHMZBOCLSA-N	0	3	306.797	2.620	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3)CC1	ZINC000415868300	334623045	/nfs/dbraw/zinc/62/30/45/334623045.db2.gz	BXSDYTDQNFXYHE-UHFFFAOYSA-N	0	3	314.433	2.817	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)c1ccsc1	ZINC000448694664	338460271	/nfs/dbraw/zinc/46/02/71/338460271.db2.gz	OTPAWLKWRMTGQR-BJJXKVORSA-N	0	3	305.447	2.797	20	30		DFEDHN
O=C(CCC(=O)N1CC[C@H](N2CCCCC2)C1)NC1CCCC1	ZINC000328789214	334757101	/nfs/dbraw/zinc/75/71/01/334757101.db2.gz	PVTXMPFUUQVBMW-INIZCTEOSA-N	0	3	321.465	2.753	20	30		DFEDHN
CN(C)CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000330514767	334786064	/nfs/dbraw/zinc/78/60/64/334786064.db2.gz	DSIWMFQBEQWDNI-UHFFFAOYSA-N	0	3	306.332	2.523	20	30		DFEDHN
C[NH+](C)[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)CCSC1	ZINC000330556976	334789500	/nfs/dbraw/zinc/78/95/00/334789500.db2.gz	ZSCFFJXMUWZESX-CQSZACIVSA-N	0	3	314.838	2.788	20	30		DFEDHN
CCN1CCC(NC(=O)c2sc([C@@H](C)OC)nc2C)CC1	ZINC000331128544	334842267	/nfs/dbraw/zinc/84/22/67/334842267.db2.gz	RZWXFBLQXUXCNQ-LLVKDONJSA-N	0	3	311.451	2.948	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)c(C)c2)CC1	ZINC000444198956	338469663	/nfs/dbraw/zinc/46/96/63/338469663.db2.gz	ACSHTFPOCNJAKT-UHFFFAOYSA-N	0	3	319.424	2.926	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000343830334	335200014	/nfs/dbraw/zinc/20/00/14/335200014.db2.gz	MJOYBSZLNYOVDP-HOCLYGCPSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=CCOc1cccc(CNC2(CO)Cc3ccccc3C2)c1	ZINC000344318665	335240579	/nfs/dbraw/zinc/24/05/79/335240579.db2.gz	PNHIQTGQZNVOPT-UHFFFAOYSA-N	0	3	309.409	2.871	20	30		DFEDHN
C=CCOc1ccc(CNC2(CO)Cc3ccccc3C2)cc1	ZINC000344336315	335242192	/nfs/dbraw/zinc/24/21/92/335242192.db2.gz	AYNPNZWLHZTFPZ-UHFFFAOYSA-N	0	3	309.409	2.871	20	30		DFEDHN
C=CCCCNC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000344456683	335250180	/nfs/dbraw/zinc/25/01/80/335250180.db2.gz	ASEREQVCAIPWOP-UHFFFAOYSA-N	0	3	301.434	2.525	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000344561893	335258562	/nfs/dbraw/zinc/25/85/62/335258562.db2.gz	WHHVYKKPUKIMCC-CZUORRHYSA-N	0	3	307.353	2.642	20	30		DFEDHN
C=CCCS(=O)(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000344910603	335284831	/nfs/dbraw/zinc/28/48/31/335284831.db2.gz	WMMVJBHGCMVEGD-UHFFFAOYSA-N	0	3	314.495	2.623	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(C(F)(F)F)CCC2)CC1	ZINC000345013382	335291478	/nfs/dbraw/zinc/29/14/78/335291478.db2.gz	FFYCBIATFSESRE-UHFFFAOYSA-N	0	3	319.371	2.669	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(Cl)cccc2OC)CC1	ZINC000345316798	335316687	/nfs/dbraw/zinc/31/66/87/335316687.db2.gz	KMNBQBMTRYBUNA-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C)C(C)C	ZINC000345478965	335328565	/nfs/dbraw/zinc/32/85/65/335328565.db2.gz	LCUOSIDGYIJMDU-JFIYKMOQSA-N	0	3	323.481	2.552	20	30		DFEDHN
CC(C#N)C(=O)NCCOCc1ccc(Cl)cc1Cl	ZINC000345742871	335347414	/nfs/dbraw/zinc/34/74/14/335347414.db2.gz	SIZLUJFOYBXVBW-VIFPVBQESA-N	0	3	301.173	2.786	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1	ZINC000345793669	335351539	/nfs/dbraw/zinc/35/15/39/335351539.db2.gz	DJQLWCCCZVVINK-JSGCOSHPSA-N	0	3	310.357	2.950	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2[C@H](c3ccccc3)C2(F)F)CC1	ZINC000345920452	335365463	/nfs/dbraw/zinc/36/54/63/335365463.db2.gz	CKHVHJBIUGNTPC-HOTGVXAUSA-N	0	3	320.383	2.802	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC)N(CC)CC)cc1	ZINC000346007451	335369115	/nfs/dbraw/zinc/36/91/15/335369115.db2.gz	AXKHCDSLRZRWNW-MRXNPFEDSA-N	0	3	317.433	2.661	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000346167576	335384677	/nfs/dbraw/zinc/38/46/77/335384677.db2.gz	GDNUOJDEDSBBTH-MPGHIAIKSA-N	0	3	311.429	2.555	20	30		DFEDHN
CCN(CCc1cccs1)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000346228428	335386234	/nfs/dbraw/zinc/38/62/34/335386234.db2.gz	QOWGEWJVYGWEMX-ZDUSSCGKSA-N	0	3	305.447	2.563	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1	ZINC000347421230	335495340	/nfs/dbraw/zinc/49/53/40/335495340.db2.gz	ZGOWZUOKQRLSON-UHFFFAOYSA-N	0	3	313.361	2.600	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC(C)C)c1cccs1	ZINC000347621021	335511442	/nfs/dbraw/zinc/51/14/42/335511442.db2.gz	YTQLFQKYUAPQEZ-STQMWFEESA-N	0	3	323.462	2.825	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000348041292	335547292	/nfs/dbraw/zinc/54/72/92/335547292.db2.gz	XFZRWRSHQWVFEQ-UHFFFAOYSA-N	0	3	317.433	2.865	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cnc3ccccc3c2)CC1	ZINC000349743165	335695104	/nfs/dbraw/zinc/69/51/04/335695104.db2.gz	KZRNJCDCAAGXAQ-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccccc2OC)CC1	ZINC000106039543	335793248	/nfs/dbraw/zinc/79/32/48/335793248.db2.gz	GNVBHJOAVONNFV-CMDGGOBGSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000106252994	335796680	/nfs/dbraw/zinc/79/66/80/335796680.db2.gz	BLKHKNYKCUARPL-UHFFFAOYSA-N	0	3	317.389	2.577	20	30		DFEDHN
O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1C[C@]12CCOC2	ZINC000329610664	336009999	/nfs/dbraw/zinc/00/99/99/336009999.db2.gz	NUSAKOZTOZZDNE-WMZOPIPTSA-N	0	3	315.417	2.681	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000351115205	336015344	/nfs/dbraw/zinc/01/53/44/336015344.db2.gz	LYHUCPHZKGVIPU-UONOGXRCSA-N	0	3	315.421	2.643	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NCCN2CC[C@@H](C)C2)cc1	ZINC000582220957	336022895	/nfs/dbraw/zinc/02/28/95/336022895.db2.gz	RJVBKEDJYMAFCP-QAPCUYQASA-N	0	3	301.434	2.971	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000351220013	336023198	/nfs/dbraw/zinc/02/31/98/336023198.db2.gz	CKRXVRZUEOCVCS-RYUDHWBXSA-N	0	3	317.355	2.935	20	30		DFEDHN
Cc1ccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)cc1F	ZINC000351488345	336038016	/nfs/dbraw/zinc/03/80/16/336038016.db2.gz	AEMHVWKYRIYRGW-NXEZZACHSA-N	0	3	302.309	2.521	20	30		DFEDHN
C=CCC[C@@H](O)CN(CCC)C[C@@H]1COc2ccccc2O1	ZINC000351615616	336050520	/nfs/dbraw/zinc/05/05/20/336050520.db2.gz	NRYMAWYWHWBZFE-HZPDHXFCSA-N	0	3	305.418	2.866	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCO1	ZINC000329690200	336051481	/nfs/dbraw/zinc/05/14/81/336051481.db2.gz	VYABAWDPNIWZEX-OCCSQVGLSA-N	0	3	320.389	2.593	20	30		DFEDHN
O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CCCCO1	ZINC000329728314	336071144	/nfs/dbraw/zinc/07/11/44/336071144.db2.gz	FMFZDXZSUZFIEK-OAHLLOKOSA-N	0	3	310.438	2.547	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3nc[nH]c3C1)C2	ZINC000329732449	336075174	/nfs/dbraw/zinc/07/51/74/336075174.db2.gz	QDVIKRYJJREDAE-HNNXBMFYSA-N	0	3	310.401	2.548	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3[nH]cnc3C1)C2	ZINC000329732449	336075176	/nfs/dbraw/zinc/07/51/76/336075176.db2.gz	QDVIKRYJJREDAE-HNNXBMFYSA-N	0	3	310.401	2.548	20	30		DFEDHN
CN(C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CCc2ccccc21	ZINC000329751970	336078211	/nfs/dbraw/zinc/07/82/11/336078211.db2.gz	VZJSVIRUKNZQPW-DYVFJYSZSA-N	0	3	310.401	2.800	20	30		DFEDHN
CN(C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1)[C@H]1CCc2ccccc21	ZINC000329751970	336078213	/nfs/dbraw/zinc/07/82/13/336078213.db2.gz	VZJSVIRUKNZQPW-DYVFJYSZSA-N	0	3	310.401	2.800	20	30		DFEDHN
C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C2CCOCC2)CCO1	ZINC000329767515	336079440	/nfs/dbraw/zinc/07/94/40/336079440.db2.gz	ZQGULQVKHIKNHV-BFYDXBDKSA-N	0	3	324.465	2.792	20	30		DFEDHN
Cc1ncc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C2CC2)n1	ZINC000329816385	336085593	/nfs/dbraw/zinc/08/55/93/336085593.db2.gz	VWQHUFVCTGDJKI-GXFFZTMASA-N	0	3	300.406	2.592	20	30		DFEDHN
Cc1c(C(=O)NCCN2CCCCC2)nnn1CC1CCCC1	ZINC000329859643	336090058	/nfs/dbraw/zinc/09/00/58/336090058.db2.gz	OXOVHEGHIAGPSC-UHFFFAOYSA-N	0	3	319.453	2.567	20	30		DFEDHN
O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCCc2n[nH]cc21	ZINC000329948693	336098685	/nfs/dbraw/zinc/09/86/85/336098685.db2.gz	KXSFYVIAXGNNFV-UONOGXRCSA-N	0	3	302.422	2.803	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC(C)(C)C1	ZINC000329958598	336099853	/nfs/dbraw/zinc/09/98/53/336099853.db2.gz	QCPGLDZNQHOVRL-KBPBESRZSA-N	0	3	304.438	2.728	20	30		DFEDHN
CC(C)(C)n1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cn1	ZINC000329962553	336100465	/nfs/dbraw/zinc/10/04/65/336100465.db2.gz	SDQWUTMCCJIHNI-HNNXBMFYSA-N	0	3	304.438	2.960	20	30		DFEDHN
CC(C)c1cc(C(=O)NC[C@H]2CCCCN2C2CC2)nn1C	ZINC000329972541	336101568	/nfs/dbraw/zinc/10/15/68/336101568.db2.gz	YDQVWWWNVDPRQD-CQSZACIVSA-N	0	3	304.438	2.865	20	30		DFEDHN
CN1CC=C(CNC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1	ZINC000330057628	336109764	/nfs/dbraw/zinc/10/97/64/336109764.db2.gz	XTYTWUZAJBGGQU-INIZCTEOSA-N	0	3	321.465	2.634	20	30		DFEDHN
O=C(NCCN1CCCCC1)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330063257	336110511	/nfs/dbraw/zinc/11/05/11/336110511.db2.gz	PXIYDSJGDBRBQY-INIZCTEOSA-N	0	3	323.481	2.858	20	30		DFEDHN
CCOc1cccnc1C(=O)NC1CC(N2CCCCC2)C1	ZINC000330065833	336110648	/nfs/dbraw/zinc/11/06/48/336110648.db2.gz	SJEHIHZVZGZRQF-UHFFFAOYSA-N	0	3	303.406	2.802	20	30		DFEDHN
CC(C(=O)N[C@@H](C)C1CCCC1)S(=O)(=O)C1CCOCC1	ZINC000330102936	336113727	/nfs/dbraw/zinc/11/37/27/336113727.db2.gz	FYYFDXRVYSYZOB-NWDGAFQWSA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)Cn2cc3ccccc3n2)C1	ZINC000330109450	336114101	/nfs/dbraw/zinc/11/41/01/336114101.db2.gz	PEALIPZCCUCFMJ-CQSZACIVSA-N	0	3	300.406	2.725	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330110444	336114423	/nfs/dbraw/zinc/11/44/23/336114423.db2.gz	QNPSLESYHAHDBZ-CVEARBPZSA-N	0	3	323.481	2.856	20	30		DFEDHN
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000330162189	336119486	/nfs/dbraw/zinc/11/94/86/336119486.db2.gz	UIQUKQJERHHMOK-DGCLKSJQSA-N	0	3	314.389	2.832	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1	ZINC000331587389	336141218	/nfs/dbraw/zinc/14/12/18/336141218.db2.gz	PLGPEHMQKZVVON-NSHDSACASA-N	0	3	303.431	2.888	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N[C@](C)(C#N)C2CC2)CCCC1(C)C	ZINC000331899226	336152254	/nfs/dbraw/zinc/15/22/54/336152254.db2.gz	SAWKNNXBJOIOEY-MAUKXSAKSA-N	0	3	303.450	2.862	20	30		DFEDHN
N#C[C@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000332318739	336168057	/nfs/dbraw/zinc/16/80/57/336168057.db2.gz	VKJLEJONOFCXLD-SJORKVTESA-N	0	3	318.465	2.586	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1	ZINC000332321202	336168394	/nfs/dbraw/zinc/16/83/94/336168394.db2.gz	QJTAJFBTJYUNSV-DYVFJYSZSA-N	0	3	315.392	2.712	20	30		DFEDHN
C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCC[C@@H](C)C1	ZINC000333173577	336199288	/nfs/dbraw/zinc/19/92/88/336199288.db2.gz	KVOVSEKWUKMXHL-RVKKMQEKSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2CCC(OC(F)F)CC2)CC1	ZINC000352268832	336209015	/nfs/dbraw/zinc/20/90/15/336209015.db2.gz	CDEPAQAEXOVXLR-UHFFFAOYSA-N	0	3	316.392	2.551	20	30		DFEDHN
C=C(CC)CN1CCC(n2ncc(C(=O)OCC)c2C)CC1	ZINC000352370703	336214673	/nfs/dbraw/zinc/21/46/73/336214673.db2.gz	CLNFLHHUZAGHKL-UHFFFAOYSA-N	0	3	305.422	2.971	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000352468542	336220874	/nfs/dbraw/zinc/22/08/74/336220874.db2.gz	ZHCNRGQGLUKHCJ-LBPRGKRZSA-N	0	3	311.307	2.528	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000352530190	336222883	/nfs/dbraw/zinc/22/28/83/336222883.db2.gz	IITKGJFLSVTEFD-IBGZPJMESA-N	0	3	322.493	2.940	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN(CC#N)C2CC2)CC1	ZINC000352735646	336232891	/nfs/dbraw/zinc/23/28/91/336232891.db2.gz	DDYBLNPFHRAOGR-UHFFFAOYSA-N	0	3	312.461	2.707	20	30		DFEDHN
CC(C)N1CC[C@H](NC(=O)C(C)C#N)[C@@H]1c1ccc(F)c(F)c1	ZINC000352870594	336284723	/nfs/dbraw/zinc/28/47/23/336284723.db2.gz	PEPLQRQOIDTXGS-RLCCDNCMSA-N	0	3	321.371	2.764	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)NCCCCC#N)c1ccco1	ZINC000352907502	336375874	/nfs/dbraw/zinc/37/58/74/336375874.db2.gz	ZMAUGICLXYBJIW-UONOGXRCSA-N	0	3	306.410	2.702	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[C@@H]32)c(OC)c1	ZINC000353054138	336391733	/nfs/dbraw/zinc/39/17/33/336391733.db2.gz	WKDSTRXYLJNKMQ-BBWFWOEESA-N	0	3	317.429	2.648	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000418030114	336393150	/nfs/dbraw/zinc/39/31/50/336393150.db2.gz	MEJRNLJFUTXLAR-MKBNYLNASA-N	0	3	323.387	2.974	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1	ZINC000113337595	336400643	/nfs/dbraw/zinc/40/06/43/336400643.db2.gz	CIXAKOCEOFRNEI-IBGZPJMESA-N	0	3	309.409	2.782	20	30		DFEDHN
CC1CCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000354610595	336476576	/nfs/dbraw/zinc/47/65/76/336476576.db2.gz	YSSRTHGGROQQNL-SFHVURJKSA-N	0	3	313.445	2.922	20	30		DFEDHN
C[C@@H](NC(=O)NCC(C)(C)C#N)[C@H](c1ccccc1)N(C)C	ZINC000355088319	336494305	/nfs/dbraw/zinc/49/43/05/336494305.db2.gz	UWUHWCHMKHCDOY-UKRRQHHQSA-N	0	3	302.422	2.527	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)NCC(C)(C)C#N)c1ccco1	ZINC000355089129	336494311	/nfs/dbraw/zinc/49/43/11/336494311.db2.gz	VZJZSUXLDUXNMK-CHWSQXEVSA-N	0	3	306.410	2.558	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ncc(C)o1)C(C)C	ZINC000355826381	336523703	/nfs/dbraw/zinc/52/37/03/336523703.db2.gz	JJKFXPOKRKSFOJ-AWEZNQCLSA-N	0	3	306.410	2.803	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCCOC1)C(C)C	ZINC000357720943	336595794	/nfs/dbraw/zinc/59/57/94/336595794.db2.gz	HXJQFMVNBPAJIB-SJLPKXTDSA-N	0	3	308.466	2.618	20	30		DFEDHN
C[C@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000357787560	336598583	/nfs/dbraw/zinc/59/85/83/336598583.db2.gz	BFHNVRPBPLDUQA-KGLIPLIRSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CCN(c2ccncc2OC)CC1	ZINC000358287260	336621448	/nfs/dbraw/zinc/62/14/48/336621448.db2.gz	HMNGCAZGEOAUHR-UHFFFAOYSA-N	0	3	315.417	2.507	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)NCCCCC#N	ZINC000358701517	336639750	/nfs/dbraw/zinc/63/97/50/336639750.db2.gz	DGOBOHGTBNPCLF-UHFFFAOYSA-N	0	3	308.470	2.978	20	30		DFEDHN
C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1cccnc1	ZINC000358848507	336644912	/nfs/dbraw/zinc/64/49/12/336644912.db2.gz	BBYXYPYMRSWYNG-LBPRGKRZSA-N	0	3	303.435	2.568	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC(C)(CC)C2)c(OC)c1	ZINC000359511650	336675535	/nfs/dbraw/zinc/67/55/35/336675535.db2.gz	UFHCCUYEBVHKCQ-MRXNPFEDSA-N	0	3	319.445	2.895	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)C2CCC(OC)CC2)CC1	ZINC000360855803	336724550	/nfs/dbraw/zinc/72/45/50/336724550.db2.gz	XDJPFBMXDAGNHO-UHFFFAOYSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OCC)C1(CC)CC	ZINC000360947534	336729011	/nfs/dbraw/zinc/72/90/11/336729011.db2.gz	NUZSEUQUJGBIEV-JKSUJKDBSA-N	0	3	310.482	2.984	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000369741045	336871029	/nfs/dbraw/zinc/87/10/29/336871029.db2.gz	KGUTXBBUXRTOKS-JKSUJKDBSA-N	0	3	313.445	2.923	20	30		DFEDHN
C#CCCCNC(=O)NC1CCN(Cc2cccc(C)c2)CC1	ZINC000372636166	336936501	/nfs/dbraw/zinc/93/65/01/336936501.db2.gz	OLNPYEVHFIZWRN-UHFFFAOYSA-N	0	3	313.445	2.672	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000375727855	337018039	/nfs/dbraw/zinc/01/80/39/337018039.db2.gz	VEONQSPWECTUNA-INIZCTEOSA-N	0	3	305.447	2.769	20	30		DFEDHN
C#C[C@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1F	ZINC000376170107	337028840	/nfs/dbraw/zinc/02/88/40/337028840.db2.gz	DTPLLZQLFKFJHE-HNNXBMFYSA-N	0	3	320.795	2.898	20	30		DFEDHN
CCCC[C@@H](ON=C(C)C)C(=O)N1CCCN(CCC)CC1	ZINC000376309397	337031098	/nfs/dbraw/zinc/03/10/98/337031098.db2.gz	VSMJCCVDTHXREQ-MRXNPFEDSA-N	0	3	311.470	2.902	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000376679024	337039518	/nfs/dbraw/zinc/03/95/18/337039518.db2.gz	JWOCTSLLKMOPCG-NVXWUHKLSA-N	0	3	314.454	2.520	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C3CC3)C2)CC1	ZINC000377384188	337051475	/nfs/dbraw/zinc/05/14/75/337051475.db2.gz	LXTDUTLVJQEFBH-MRXNPFEDSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C3CC3)C2)CC1	ZINC000377384187	337051489	/nfs/dbraw/zinc/05/14/89/337051489.db2.gz	LXTDUTLVJQEFBH-INIZCTEOSA-N	0	3	305.466	2.859	20	30		DFEDHN
CCC[C@]1(CO)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000377838738	337062340	/nfs/dbraw/zinc/06/23/40/337062340.db2.gz	BPQQEBGTOSCGMU-YJBOKZPZSA-N	0	3	302.418	2.962	20	30		DFEDHN
COc1cccc(-n2cc(CNCC(C)(C)CCC#N)nn2)c1	ZINC000377837045	337062449	/nfs/dbraw/zinc/06/24/49/337062449.db2.gz	IGFHXEJPWARMTN-UHFFFAOYSA-N	0	3	313.405	2.695	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccs1	ZINC000377960024	337064495	/nfs/dbraw/zinc/06/44/95/337064495.db2.gz	MXUDPAOHCWFNJW-LPHOPBHVSA-N	0	3	324.449	2.909	20	30		DFEDHN
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCCC2)C1	ZINC000378575772	337075890	/nfs/dbraw/zinc/07/58/90/337075890.db2.gz	XLIKIFFVWMFRIE-HZPDHXFCSA-N	0	3	309.454	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1	ZINC000171694786	337088312	/nfs/dbraw/zinc/08/83/12/337088312.db2.gz	UTLXVVMRTQZJFP-GFCCVEGCSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000171717697	337088798	/nfs/dbraw/zinc/08/87/98/337088798.db2.gz	VNIKGULAHURACS-XHSDSOJGSA-N	0	3	305.466	2.762	20	30		DFEDHN
C[C@H]1CC[C@H](C(N)=O)CN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177278251	337156579	/nfs/dbraw/zinc/15/65/79/337156579.db2.gz	LJPQUNGVKUTZLC-JSGCOSHPSA-N	0	3	324.346	2.643	20	30		DFEDHN
C=CCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000178257465	337161719	/nfs/dbraw/zinc/16/17/19/337161719.db2.gz	UFKHALNCNKVJFE-IYBDPMFKSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)c2ccc(OC)cc2)CC1	ZINC000178114715	337162412	/nfs/dbraw/zinc/16/24/12/337162412.db2.gz	JSEYUHPJBUSRTC-UHFFFAOYSA-N	0	3	316.445	2.739	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1	ZINC000183156765	337190180	/nfs/dbraw/zinc/19/01/80/337190180.db2.gz	BXGHTMSNVQBCNK-KGLIPLIRSA-N	0	3	312.417	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)CO[C@@H]2CCCC[C@H]2CC)CC1	ZINC000184984534	337202169	/nfs/dbraw/zinc/20/21/69/337202169.db2.gz	YPKLVVGJNODXIN-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(CC)nc2C)CC1	ZINC000186225159	337254838	/nfs/dbraw/zinc/25/48/38/337254838.db2.gz	ICTLEWHHMYBNNI-UHFFFAOYSA-N	0	3	301.434	2.723	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(OC)CCCCC2)CC1	ZINC000187837070	337268525	/nfs/dbraw/zinc/26/85/25/337268525.db2.gz	BHHFSAYQXZHMHD-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	ZINC000583715054	337317584	/nfs/dbraw/zinc/31/75/84/337317584.db2.gz	RDBDPWQNQGZGKL-BJLQDIEVSA-N	0	3	324.424	2.929	20	30		DFEDHN
COC(=O)COc1ccc(CNCc2ccc(CC#N)cc2)cc1	ZINC000583813149	337337626	/nfs/dbraw/zinc/33/76/26/337337626.db2.gz	ADOSDIMEZUJYCM-UHFFFAOYSA-N	0	3	324.380	2.594	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccc(C)s2)CC1	ZINC000305069916	337387005	/nfs/dbraw/zinc/38/70/05/337387005.db2.gz	IYZFITHGNHKPGC-OAHLLOKOSA-N	0	3	322.474	2.578	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@H](N)c2ccccc2CC)CC1	ZINC000418651922	337388350	/nfs/dbraw/zinc/38/83/50/337388350.db2.gz	MEVNOHJIGINOGV-KRWDZBQOSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C	ZINC000425612847	337397272	/nfs/dbraw/zinc/39/72/72/337397272.db2.gz	RMLOXXDWAOFDJM-GVDBMIGSSA-N	0	3	318.465	2.676	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CCC3(CCOC3=O)CC2)cc1	ZINC000359883672	337440223	/nfs/dbraw/zinc/44/02/23/337440223.db2.gz	XHESUUWAADPHQH-AWEZNQCLSA-N	0	3	314.385	2.507	20	30		DFEDHN
CSc1ccccc1NC(=O)CCN1CCC(C#N)CC1	ZINC000057879166	337458277	/nfs/dbraw/zinc/45/82/77/337458277.db2.gz	VRQAYHUDLUYMRK-UHFFFAOYSA-N	0	3	303.431	2.973	20	30		DFEDHN
C=CC(C)(C)CN[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000419221837	337476588	/nfs/dbraw/zinc/47/65/88/337476588.db2.gz	AVSDJMPSFDHYCX-LBPRGKRZSA-N	0	3	311.223	2.777	20	30		DFEDHN
N#CCSCCCN1CCN(C/C=C\c2ccccc2)CC1	ZINC000255003018	337601431	/nfs/dbraw/zinc/60/14/31/337601431.db2.gz	RRIXHKURIAKKOG-YWEYNIOJSA-N	0	3	315.486	2.964	20	30		DFEDHN
N=C(NCc1nnc(C2CC2)s1)Nc1cc(F)ccc1F	ZINC000263104200	337624502	/nfs/dbraw/zinc/62/45/02/337624502.db2.gz	KKBWTPQHJSCHFZ-UHFFFAOYSA-N	0	3	309.345	2.621	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1	ZINC000264499632	337632618	/nfs/dbraw/zinc/63/26/18/337632618.db2.gz	PWIVSMIEPOYTNV-UHFFFAOYSA-N	0	3	317.349	2.583	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Br	ZINC000424069910	337731081	/nfs/dbraw/zinc/73/10/81/337731081.db2.gz	VYXYBVHGQXUXLP-ZWNOBZJWSA-N	0	3	324.222	2.647	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)C12CC3CC(CC(C3)C1)C2	ZINC000424071725	337731201	/nfs/dbraw/zinc/73/12/01/337731201.db2.gz	BZPFDESOGDDPBZ-LIFKJRKOSA-N	0	3	303.450	2.729	20	30		DFEDHN
CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c1	ZINC000424082594	337732142	/nfs/dbraw/zinc/73/21/42/337732142.db2.gz	AFHJFOAIZLFJHL-BBRMVZONSA-N	0	3	303.406	2.672	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OCC(F)F	ZINC000424113714	337740915	/nfs/dbraw/zinc/74/09/15/337740915.db2.gz	OENQTFACEVHLRX-GFCCVEGCSA-N	0	3	311.332	2.599	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ncc(-c2ccccc2)o1	ZINC000424135063	337754308	/nfs/dbraw/zinc/75/43/08/337754308.db2.gz	YXIUANDBWFZATD-TZMCWYRMSA-N	0	3	312.373	2.540	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OCc2ccncc2)cc1	ZINC000424156670	337783963	/nfs/dbraw/zinc/78/39/63/337783963.db2.gz	ONVRHIMJSZVXJH-KRWDZBQOSA-N	0	3	324.384	2.620	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(C)cc(CN)c1	ZINC000424426079	337832671	/nfs/dbraw/zinc/83/26/71/337832671.db2.gz	LDFUBZYXLDITNP-GOEBONIOSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000424522979	337847136	/nfs/dbraw/zinc/84/71/36/337847136.db2.gz	VVAKPKYRRHGBJV-ZACQAIPSSA-N	0	3	320.408	2.526	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2c(C)nn(CC)c2C)CC1	ZINC000089473642	337869904	/nfs/dbraw/zinc/86/99/04/337869904.db2.gz	UMFGOMMMTNESEL-UHFFFAOYSA-N	0	3	319.453	2.682	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000424650279	337942912	/nfs/dbraw/zinc/94/29/12/337942912.db2.gz	UKWJTYSHMRKOLE-HOTGVXAUSA-N	0	3	322.493	2.937	20	30		DFEDHN
CCC[C@@]1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426137595	338020963	/nfs/dbraw/zinc/02/09/63/338020963.db2.gz	FXXSIGZWWCYJIY-PKOBYXMFSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2cccs2)no1	ZINC000429721277	338088277	/nfs/dbraw/zinc/08/82/77/338088277.db2.gz	OBEQABGEEWWIFX-UHFFFAOYSA-N	0	3	306.435	2.738	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1	ZINC000432662779	338161945	/nfs/dbraw/zinc/16/19/45/338161945.db2.gz	AXTNLOPOLKIVMV-UHFFFAOYSA-N	0	3	318.421	2.640	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)[C@]2(C#N)C[C@H]2C)CC1	ZINC000448725023	338168576	/nfs/dbraw/zinc/16/85/76/338168576.db2.gz	JMKANYSXCNZVRI-BEFAXECRSA-N	0	3	311.429	2.625	20	30		DFEDHN
Cc1cc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)on1	ZINC000433015030	338176353	/nfs/dbraw/zinc/17/63/53/338176353.db2.gz	IHMMANMYMPUAOS-HNNXBMFYSA-N	0	3	312.373	2.946	20	30		DFEDHN
CS(=O)(=O)CC1(CN[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000433023449	338176878	/nfs/dbraw/zinc/17/68/78/338176878.db2.gz	QAAORDIBXWGIPB-INIZCTEOSA-N	0	3	320.458	2.836	20	30		DFEDHN
CN(C)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433221362	338186363	/nfs/dbraw/zinc/18/63/63/338186363.db2.gz	SUOQUZVKGVVIJK-KRWDZBQOSA-N	0	3	322.412	2.536	20	30		DFEDHN
COC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000433348920	338193565	/nfs/dbraw/zinc/19/35/65/338193565.db2.gz	AFGOQAQYSBJETL-DLBZAZTESA-N	0	3	300.402	2.644	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1	ZINC000434425042	338215855	/nfs/dbraw/zinc/21/58/55/338215855.db2.gz	MNTCSYVYKLUMSE-KRWDZBQOSA-N	0	3	314.429	2.998	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1	ZINC000438240990	338337787	/nfs/dbraw/zinc/33/77/87/338337787.db2.gz	WKHUPHLNJMGXDO-CPUCHLNUSA-N	0	3	316.401	2.588	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1	ZINC000438284933	338338632	/nfs/dbraw/zinc/33/86/32/338338632.db2.gz	UPZBQIDQOAGWOL-INIZCTEOSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000448605081	338347616	/nfs/dbraw/zinc/34/76/16/338347616.db2.gz	KPBZWWXOBXSOQW-ILXRZTDVSA-N	0	3	320.458	2.592	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21	ZINC000438627394	338350369	/nfs/dbraw/zinc/35/03/69/338350369.db2.gz	USGAHGVGBLECKB-SKDRFNHKSA-N	0	3	323.190	2.891	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000439461345	338370200	/nfs/dbraw/zinc/37/02/00/338370200.db2.gz	IHJJPNJVWLSQDO-CQSZACIVSA-N	0	3	319.453	2.934	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000439461344	338370250	/nfs/dbraw/zinc/37/02/50/338370250.db2.gz	IHJJPNJVWLSQDO-AWEZNQCLSA-N	0	3	319.453	2.934	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCCO[C@H](CC)C1	ZINC000439474062	338370698	/nfs/dbraw/zinc/37/06/98/338370698.db2.gz	MVRYSEWSWIKCEG-QZTJIDSGSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=C(C)COCCN[C@@H](CCn1cncn1)c1ccc(C)cc1	ZINC000446928144	338540954	/nfs/dbraw/zinc/54/09/54/338540954.db2.gz	FAUWLAUKJSZIDY-SFHVURJKSA-N	0	3	314.433	2.900	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1Cl	ZINC000447981499	338573602	/nfs/dbraw/zinc/57/36/02/338573602.db2.gz	FTVAFVMUVDTKFZ-ZBFHGGJFSA-N	0	3	311.809	2.534	20	30		DFEDHN
C=CC(C)(C)C(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000448956252	338581045	/nfs/dbraw/zinc/58/10/45/338581045.db2.gz	PNUISWLOUHGUNJ-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H]1n1cccn1	ZINC000449657223	338644762	/nfs/dbraw/zinc/64/47/62/338644762.db2.gz	ODHIZUNOFADQTG-IBEHDNSVSA-N	0	3	302.422	2.662	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453424188	338841168	/nfs/dbraw/zinc/84/11/68/338841168.db2.gz	HRULRHTWEMECIP-LSDHHAIUSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453453535	338843316	/nfs/dbraw/zinc/84/33/16/338843316.db2.gz	OIKQYDPATUBSCP-MRXNPFEDSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1Cl	ZINC000453582715	338849207	/nfs/dbraw/zinc/84/92/07/338849207.db2.gz	BRHNXFJBNLQJQM-MRXNPFEDSA-N	0	3	308.809	2.663	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC2(F)F)CC1	ZINC000454465573	338864407	/nfs/dbraw/zinc/86/44/07/338864407.db2.gz	PENQAOCURADCDY-ZDUSSCGKSA-N	0	3	315.408	2.762	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1cccc(CC#N)c1	ZINC000455927355	338914820	/nfs/dbraw/zinc/91/48/20/338914820.db2.gz	ZTOCRFKKCOPTPV-UHFFFAOYSA-N	0	3	302.422	2.804	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C#N)N(C)C)cc1	ZINC000458042658	338986784	/nfs/dbraw/zinc/98/67/84/338986784.db2.gz	FVVQYKVWQRJKMB-INIZCTEOSA-N	0	3	316.449	2.789	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000458578159	339001208	/nfs/dbraw/zinc/00/12/08/339001208.db2.gz	MMFMGYMTBBDFBD-OAHLLOKOSA-N	0	3	302.422	2.671	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000458660535	339002796	/nfs/dbraw/zinc/00/27/96/339002796.db2.gz	VUOCTAXJVNRIPM-CABCVRRESA-N	0	3	320.462	2.514	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)NCC1(CC#N)CC1	ZINC000458737822	339004322	/nfs/dbraw/zinc/00/43/22/339004322.db2.gz	POOFCQWTQGNOMY-UHFFFAOYSA-N	0	3	320.462	2.515	20	30		DFEDHN
C[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H](c1ccccc1)N(C)C	ZINC000458787635	339005299	/nfs/dbraw/zinc/00/52/99/339005299.db2.gz	XRNVFNYHCGRMCD-ZBFHGGJFSA-N	0	3	316.449	2.917	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000458811606	339006194	/nfs/dbraw/zinc/00/61/94/339006194.db2.gz	PHPLRTSIDKJTDC-BZUAXINKSA-N	0	3	307.482	2.960	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000458815820	339006344	/nfs/dbraw/zinc/00/63/44/339006344.db2.gz	ZDHJCMCEACRKGL-UHFFFAOYSA-N	0	3	318.465	2.757	20	30		DFEDHN
C=CCOCCCN1CCN(c2ccnc3ccccc32)CC1	ZINC000459487048	339032252	/nfs/dbraw/zinc/03/22/52/339032252.db2.gz	UCSMJLYSMSYSBI-UHFFFAOYSA-N	0	3	311.429	2.950	20	30		DFEDHN
N#CCCOCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459658910	339041156	/nfs/dbraw/zinc/04/11/56/339041156.db2.gz	JLGRCWUCWACSJI-ZDUSSCGKSA-N	0	3	320.355	2.598	20	30		DFEDHN
N#CCCCOc1cccc(CNC2(CO)CCSCC2)c1	ZINC000459724134	339044371	/nfs/dbraw/zinc/04/43/71/339044371.db2.gz	JZXBYXGXPDUDNI-UHFFFAOYSA-N	0	3	320.458	2.717	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000460022394	339051905	/nfs/dbraw/zinc/05/19/05/339051905.db2.gz	KZDFDXDVOPACSO-JZXOWHBKSA-N	0	3	312.413	2.589	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C(C)C	ZINC000463821262	339126537	/nfs/dbraw/zinc/12/65/37/339126537.db2.gz	XSKTZHHVUCDOQZ-CHWSQXEVSA-N	0	3	306.372	3.000	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000466012969	339190807	/nfs/dbraw/zinc/19/08/07/339190807.db2.gz	UPUWVIRQZBDVTM-UHFFFAOYSA-N	0	3	315.461	2.693	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)CC1	ZINC000471804518	339354630	/nfs/dbraw/zinc/35/46/30/339354630.db2.gz	NJLZXPZMGTXHIK-AAEUAGOBSA-N	0	3	319.371	2.619	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C	ZINC000471854729	339356132	/nfs/dbraw/zinc/35/61/32/339356132.db2.gz	BGEJTPXSKZMYPL-BHYGNILZSA-N	0	3	316.445	2.651	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC2CC2)CC2CCC2)CC1	ZINC000474331191	339409793	/nfs/dbraw/zinc/40/97/93/339409793.db2.gz	RMEPWCUWLWLGDV-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H](CC)c2ccc(F)cc2)CC1	ZINC000491099602	339848906	/nfs/dbraw/zinc/84/89/06/339848906.db2.gz	BOQSUEWUUIIRDY-KRWDZBQOSA-N	0	3	302.393	2.738	20	30		DFEDHN
C#CCNC(=O)CCNCc1c(OC(C)C)ccc2ccccc21	ZINC000491179022	339852062	/nfs/dbraw/zinc/85/20/62/339852062.db2.gz	CXWKCWIJZNBTRN-UHFFFAOYSA-N	0	3	324.424	2.856	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)Nc1cccc(OCCN(C)C)c1	ZINC000491193466	339852777	/nfs/dbraw/zinc/85/27/77/339852777.db2.gz	ZQAYFPKRMHFUSV-CQSZACIVSA-N	0	3	303.406	2.550	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CC=C)Cc2ccccc2)CC1	ZINC000491673660	339873101	/nfs/dbraw/zinc/87/31/01/339873101.db2.gz	URBSBQNEYZOKBD-IBGZPJMESA-N	0	3	310.441	2.635	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CC=C)Cc2ccccc2)CC1	ZINC000491673662	339873146	/nfs/dbraw/zinc/87/31/46/339873146.db2.gz	URBSBQNEYZOKBD-LJQANCHMSA-N	0	3	310.441	2.635	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2cc(C)cc(C)c2)CC1	ZINC000492368872	339898790	/nfs/dbraw/zinc/89/87/90/339898790.db2.gz	TYRQMPFOVSAAPL-VOTSOKGWSA-N	0	3	310.441	2.921	20	30		DFEDHN
C=C(Br)CN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1	ZINC000495679499	339990042	/nfs/dbraw/zinc/99/00/42/339990042.db2.gz	KMSAXSFTXWBWCA-SNVBAGLBSA-N	0	3	319.243	2.740	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](CCNC[C@H](C#N)CCC#N)C1	ZINC000496290220	340002255	/nfs/dbraw/zinc/00/22/55/340002255.db2.gz	GGCULGPNFOUHHB-GJZGRUSLSA-N	0	3	320.437	2.667	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC2(CC(NCC3(C#N)CCC3)C2)C1	ZINC000496543666	340007548	/nfs/dbraw/zinc/00/75/48/340007548.db2.gz	ANVRGWMLQVDJTA-UHFFFAOYSA-N	0	3	305.422	2.669	20	30		DFEDHN
CC#CCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000496703844	340010906	/nfs/dbraw/zinc/01/09/06/340010906.db2.gz	VIWRBPAQSVERKX-KRWDZBQOSA-N	0	3	300.402	2.648	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1	ZINC000496727271	340011433	/nfs/dbraw/zinc/01/14/33/340011433.db2.gz	XZHXREFZFUNZRC-HNNXBMFYSA-N	0	3	324.465	2.789	20	30		DFEDHN
COc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cn1	ZINC000505410157	340167816	/nfs/dbraw/zinc/16/78/16/340167816.db2.gz	RPECYTJMHJZQBI-LLVKDONJSA-N	0	3	316.386	2.916	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000508874054	340254840	/nfs/dbraw/zinc/25/48/40/340254840.db2.gz	PRJJMEOTZKOWSI-OAHLLOKOSA-N	0	3	319.497	2.829	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000508874052	340254898	/nfs/dbraw/zinc/25/48/98/340254898.db2.gz	PRJJMEOTZKOWSI-HNNXBMFYSA-N	0	3	319.497	2.829	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2Cc3ccccc3C[C@@H]2C)CC1	ZINC000173199771	340360072	/nfs/dbraw/zinc/36/00/72/340360072.db2.gz	UERRGKCFEUITHW-HNNXBMFYSA-N	0	3	313.445	2.793	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc([C@H](C)CCC)[nH]n2)CC1	ZINC000173328828	340362691	/nfs/dbraw/zinc/36/26/91/340362691.db2.gz	BIODGWRFKLUNMO-CYBMUJFWSA-N	0	3	302.422	2.597	20	30		DFEDHN
C=CCCOCCNCc1cccc(OC)c1OC(F)F	ZINC000229880202	340616617	/nfs/dbraw/zinc/61/66/17/340616617.db2.gz	KHVPYNLUWUEAFM-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]21)C(C)C	ZINC000523481422	340625935	/nfs/dbraw/zinc/62/59/35/340625935.db2.gz	YWXBTJOIZYLCLB-GVDBMIGSSA-N	0	3	305.466	2.879	20	30		DFEDHN
N#CCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1	ZINC000542854198	341023799	/nfs/dbraw/zinc/02/37/99/341023799.db2.gz	RBSDFULXDFEGSB-UHFFFAOYSA-N	0	3	324.384	2.931	20	30		DFEDHN
N#CC(=C([O-])c1ccc([C@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446838	341125239	/nfs/dbraw/zinc/12/52/39/341125239.db2.gz	VXJVASHEKBABOO-HOTGVXAUSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446838	341125240	/nfs/dbraw/zinc/12/52/40/341125240.db2.gz	VXJVASHEKBABOO-HOTGVXAUSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CCc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)cc1	ZINC000545842100	341143069	/nfs/dbraw/zinc/14/30/69/341143069.db2.gz	DLTUNHKARVNWBZ-GASCZTMLSA-N	0	3	321.384	2.658	20	30		DFEDHN
N#CC(C(=O)c1ccc(N2CCCCCC2)nc1)c1ccncn1	ZINC000546860103	341183835	/nfs/dbraw/zinc/18/38/35/341183835.db2.gz	ZYUQOJRIPWLUTC-OAHLLOKOSA-N	0	3	321.384	2.742	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000135170265	341232708	/nfs/dbraw/zinc/23/27/08/341232708.db2.gz	XPANDVQCNLFZQI-MAUKXSAKSA-N	0	3	320.433	2.529	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000079440330	341259191	/nfs/dbraw/zinc/25/91/91/341259191.db2.gz	DEOKPBMLUMSFIG-INIZCTEOSA-N	0	3	323.481	2.505	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000079505728	341260386	/nfs/dbraw/zinc/26/03/86/341260386.db2.gz	XXXCITQTJMHWCV-CQSZACIVSA-N	0	3	303.431	2.516	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000079542185	341261036	/nfs/dbraw/zinc/26/10/36/341261036.db2.gz	UARGJFAYLFTPJP-UHFFFAOYSA-N	0	3	315.442	2.682	20	30		DFEDHN
C[C@H](NC[C@@H](C#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000549997635	341308383	/nfs/dbraw/zinc/30/83/83/341308383.db2.gz	OIXVHGFSCBSWNP-QWHCGFSZSA-N	0	3	316.371	2.682	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@@H](C)C1	ZINC000249042446	341392601	/nfs/dbraw/zinc/39/26/01/341392601.db2.gz	NISRPCHMIUABIH-DOTOQJQBSA-N	0	3	321.486	2.840	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2noc3c2CCCCC3)CC1	ZINC000153028601	341519769	/nfs/dbraw/zinc/51/97/69/341519769.db2.gz	KSZWZGBBRIWTNO-UHFFFAOYSA-N	0	3	317.433	2.714	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NCCCNC(=O)C(C)C)cc1	ZINC000573334396	341725314	/nfs/dbraw/zinc/72/53/14/341725314.db2.gz	NYOSVLLSOCZQLQ-KRWDZBQOSA-N	0	3	317.433	2.792	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1F	ZINC000574488376	341760037	/nfs/dbraw/zinc/76/00/37/341760037.db2.gz	YJBHABIKFCDNRP-OCCSQVGLSA-N	0	3	312.772	2.741	20	30		DFEDHN
Cc1ccsc1CNC[C@H](O)COc1ccc(CC#N)cc1	ZINC000580666943	341894980	/nfs/dbraw/zinc/89/49/80/341894980.db2.gz	JCCIJRBBNUPIGN-HNNXBMFYSA-N	0	3	316.426	2.652	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1	ZINC000577769951	341936120	/nfs/dbraw/zinc/93/61/20/341936120.db2.gz	BFKGLLWMMXCWET-PNBKFKSVSA-N	0	3	320.433	2.806	20	30		DFEDHN
COc1cccc([C@H](CNc2ccc(C#N)c(C)n2)N(C)C)c1	ZINC000323313589	533782567	/nfs/dbraw/zinc/78/25/67/533782567.db2.gz	GPEJLEGAKUGXFC-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
CCCNC(=O)C1(NCc2cc(C#N)cs2)CCCCC1	ZINC000154535500	519866337	/nfs/dbraw/zinc/86/63/37/519866337.db2.gz	UMRJRJNGYWVPES-UHFFFAOYSA-N	0	3	305.447	2.938	20	30		DFEDHN
COCC[C@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C	ZINC000338359902	521973295	/nfs/dbraw/zinc/97/32/95/521973295.db2.gz	OUIQOKKSKMLVFL-LBPRGKRZSA-N	0	3	309.435	2.599	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CCCOC(C)C	ZINC000265866184	522041183	/nfs/dbraw/zinc/04/11/83/522041183.db2.gz	LENCCUAATRVCCJ-UHFFFAOYSA-N	0	3	306.406	2.693	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@H]3CCCC[C@H]32)c1	ZINC000331704225	534807040	/nfs/dbraw/zinc/80/70/40/534807040.db2.gz	ZNCJFYAVNGGMGW-QZTJIDSGSA-N	0	3	311.429	2.829	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCCO[C@H]3CCC[C@@H]32)cc1	ZINC000369458775	526673035	/nfs/dbraw/zinc/67/30/35/526673035.db2.gz	RJWRGPXWYAFXPJ-ROUUACIJSA-N	0	3	300.402	2.971	20	30		DFEDHN
N#Cc1ncn(C2CCN(Cc3cnc4ccccc4c3)CC2)n1	ZINC000366282068	526796871	/nfs/dbraw/zinc/79/68/71/526796871.db2.gz	KOMVDUFMRHAZKE-UHFFFAOYSA-N	0	3	318.384	2.535	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1C#N	ZINC000365138129	527221103	/nfs/dbraw/zinc/22/11/03/527221103.db2.gz	OKEJSVOCNQXSJI-MSOLQXFVSA-N	0	3	312.392	2.571	20	30		DFEDHN
CC(C)[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000331880888	527775375	/nfs/dbraw/zinc/77/53/75/527775375.db2.gz	CFBCVHOTZFTZNJ-SFHVURJKSA-N	0	3	313.445	2.933	20	30		DFEDHN
CCC[C@@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301984812	527790272	/nfs/dbraw/zinc/79/02/72/527790272.db2.gz	CHKVWPCCKRDRKU-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000361898373	534928926	/nfs/dbraw/zinc/92/89/26/534928926.db2.gz	BTNJQYCAUXDMLZ-CVEARBPZSA-N	0	3	312.417	2.888	20	30		DFEDHN
CCCc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369382485	535416014	/nfs/dbraw/zinc/41/60/14/535416014.db2.gz	BPCNMJXHFYUEKC-UHFFFAOYSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000681648161	545690750	/nfs/dbraw/zinc/69/07/50/545690750.db2.gz	VZZVOTALLDKDQL-KRWDZBQOSA-N	0	3	301.434	2.726	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCC#Cc1ccccc1	ZINC000683023255	545961075	/nfs/dbraw/zinc/96/10/75/545961075.db2.gz	BEFFJJYQKKWIBE-MOPGFXCFSA-N	0	3	312.457	2.911	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C(C)C)nn(C)c1N(C)C	ZINC000684767818	546276940	/nfs/dbraw/zinc/27/69/40/546276940.db2.gz	TYBSWNRGWNNMKQ-RHSMWYFYSA-N	0	3	320.481	2.680	20	30		DFEDHN
C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[Si](C)(C)C	ZINC000735425826	598538731	/nfs/dbraw/zinc/53/87/31/598538731.db2.gz	IDYSIVBHFAYKPO-UHFFFAOYSA-N	0	3	301.470	2.732	20	30		DFEDHN
C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[Si](C)(C)C	ZINC000735425826	598538733	/nfs/dbraw/zinc/53/87/33/598538733.db2.gz	IDYSIVBHFAYKPO-UHFFFAOYSA-N	0	3	301.470	2.732	20	30		DFEDHN
C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[Si](C)(C)C	ZINC000735425826	598538735	/nfs/dbraw/zinc/53/87/35/598538735.db2.gz	IDYSIVBHFAYKPO-UHFFFAOYSA-N	0	3	301.470	2.732	20	30		DFEDHN
C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[Si](C)(C)C	ZINC000735425826	598538737	/nfs/dbraw/zinc/53/87/37/598538737.db2.gz	IDYSIVBHFAYKPO-UHFFFAOYSA-N	0	3	301.470	2.732	20	30		DFEDHN
C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1	ZINC000820426310	606210098	/nfs/dbraw/zinc/21/00/98/606210098.db2.gz	IBEYWIJKLVVGRJ-JTQLQIEISA-N	0	3	310.386	2.651	20	30		DFEDHN
C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1	ZINC000820425734	606222903	/nfs/dbraw/zinc/22/29/03/606222903.db2.gz	BLCMVYOVODLGQB-SNVBAGLBSA-N	0	3	310.386	2.651	20	30		DFEDHN
C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823887893	608286068	/nfs/dbraw/zinc/28/60/68/608286068.db2.gz	AMSCGGSZWGLJGU-NWDGAFQWSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823887893	608286069	/nfs/dbraw/zinc/28/60/69/608286069.db2.gz	AMSCGGSZWGLJGU-NWDGAFQWSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cnc3ccccc3c2)CC1	ZINC000130752630	334928846	/nfs/dbraw/zinc/92/88/46/334928846.db2.gz	HRVVNVNAPHQAHC-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
CN(C)CCOc1ccc(CNc2c(C#N)cccc2C#N)cc1	ZINC000302860171	230852944	/nfs/dbraw/zinc/85/29/44/230852944.db2.gz	UPFYCVPQVCFWGF-UHFFFAOYSA-N	0	3	320.396	2.982	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN2CC[C@H](O)C2)c1	ZINC000305724822	231027980	/nfs/dbraw/zinc/02/79/80/231027980.db2.gz	GCQQPVRHSPALNY-SFHVURJKSA-N	0	3	308.381	2.704	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)Nc1cccc(CN2CCCCC2)c1	ZINC000278684957	214325777	/nfs/dbraw/zinc/32/57/77/214325777.db2.gz	QMVYTSIDRGJUJF-GOSISDBHSA-N	0	3	302.418	2.938	20	30		DFEDHN
Cc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)cc(C#N)n1	ZINC000308280578	231095017	/nfs/dbraw/zinc/09/50/17/231095017.db2.gz	SSJMWIZQJFWDKX-MRXNPFEDSA-N	0	3	306.413	2.972	20	30		DFEDHN
N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)o1	ZINC000309754375	231105432	/nfs/dbraw/zinc/10/54/32/231105432.db2.gz	BMSLQEZLYMBXAQ-UHFFFAOYSA-N	0	3	309.369	2.546	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccs1	ZINC000065931207	398351236	/nfs/dbraw/zinc/35/12/36/398351236.db2.gz	POZLTDRGMZWUDX-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCOc1ccc(CNCCC(=O)Nc2ccccn2)cc1	ZINC000065977822	398353997	/nfs/dbraw/zinc/35/39/97/398353997.db2.gz	NUWTTYKWYIMPMN-UHFFFAOYSA-N	0	3	311.385	2.765	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CCN(C)[C@H](C(C)C)C3)c2c1	ZINC000591936907	398359015	/nfs/dbraw/zinc/35/90/15/398359015.db2.gz	KOZDCSZDGLAYKU-SFHVURJKSA-N	0	3	324.428	2.891	20	30		DFEDHN
CC(C)Oc1ccc2nccc(N3CC[C@@](O)(CC#N)C3)c2c1	ZINC000591974684	398366675	/nfs/dbraw/zinc/36/66/75/398366675.db2.gz	PHPITHJGFFMLSM-SFHVURJKSA-N	0	3	311.385	2.877	20	30		DFEDHN
CCC(CC)N(CCOC)Cc1cnc2ccc(C#N)cn12	ZINC000092565870	185326396	/nfs/dbraw/zinc/32/63/96/185326396.db2.gz	JUPPXFHSXRYKBM-UHFFFAOYSA-N	0	3	300.406	2.843	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@H]3C[C@H]32)cc1Cl	ZINC000592183322	398398053	/nfs/dbraw/zinc/39/80/53/398398053.db2.gz	YMHIXAMPNHBPMY-PSOPSSQASA-N	0	3	303.793	2.928	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCN(C)C1	ZINC000592256210	398408198	/nfs/dbraw/zinc/40/81/98/398408198.db2.gz	GIQQLWACSYXHNC-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1	ZINC000292933060	529801652	/nfs/dbraw/zinc/80/16/52/529801652.db2.gz	YWNOVTULPQIBJM-MRXNPFEDSA-N	0	3	318.808	2.771	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1	ZINC000592266076	398409541	/nfs/dbraw/zinc/40/95/41/398409541.db2.gz	VRSURMUFZUSYBG-AWEZNQCLSA-N	0	3	323.400	2.595	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC2(CCC2)O1	ZINC000584778631	398411197	/nfs/dbraw/zinc/41/11/97/398411197.db2.gz	RXYKKBBXYQPSHY-CQSZACIVSA-N	0	3	313.401	2.530	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000596487821	398427635	/nfs/dbraw/zinc/42/76/35/398427635.db2.gz	KBPIZEYIMQWCGT-ZDUSSCGKSA-N	0	3	302.378	2.999	20	30		DFEDHN
N#Cc1cnccc1CN1CCNC[C@H]1c1ccccc1Cl	ZINC000592489572	398432612	/nfs/dbraw/zinc/43/26/12/398432612.db2.gz	PIVNZLOBSAEREJ-KRWDZBQOSA-N	0	3	312.804	2.753	20	30		DFEDHN
Cc1nsc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000585706970	398440908	/nfs/dbraw/zinc/44/09/08/398440908.db2.gz	KYHCLUUNISLPEG-TXEJJXNPSA-N	0	3	308.451	2.625	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccccn2)CC1	ZINC000592524201	398441908	/nfs/dbraw/zinc/44/19/08/398441908.db2.gz	YMNBFLRXTSUZNH-QGZVFWFLSA-N	0	3	314.433	2.579	20	30		DFEDHN
Cc1cc(C#N)cc(NC2CCN(CCOC(C)C)CC2)n1	ZINC000585707253	398441033	/nfs/dbraw/zinc/44/10/33/398441033.db2.gz	YOYAMUYCPOVERN-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1	ZINC000585794427	398447599	/nfs/dbraw/zinc/44/75/99/398447599.db2.gz	UBGFLVAHBYBAEM-VWMOJTHMSA-N	0	3	324.428	2.558	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000090884003	334950952	/nfs/dbraw/zinc/95/09/52/334950952.db2.gz	RLMCNDYHZRBZHX-HNNXBMFYSA-N	0	3	322.424	2.906	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](CC(=O)OC(C)(C)C)CC1	ZINC000585797711	398448561	/nfs/dbraw/zinc/44/85/61/398448561.db2.gz	CCGTYQILMLGEPG-LSDHHAIUSA-N	0	3	324.465	2.511	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)c1	ZINC000027208086	398460515	/nfs/dbraw/zinc/46/05/15/398460515.db2.gz	XPYLCGJVVVPOMK-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1Cl	ZINC000089603285	398459191	/nfs/dbraw/zinc/45/91/91/398459191.db2.gz	XSQSDXNJVKJRLY-OAHLLOKOSA-N	0	3	305.809	2.877	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2[nH]nc3ccc(Cl)cc32)CC1	ZINC000284279017	398465849	/nfs/dbraw/zinc/46/58/49/398465849.db2.gz	MXYRMECZVGJGPY-UHFFFAOYSA-N	0	3	318.808	2.597	20	30		DFEDHN
CCN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCN(CC)C1	ZINC000596659363	398473598	/nfs/dbraw/zinc/47/35/98/398473598.db2.gz	WXORSKBLCOJKOW-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2CCC(F)CC2)cc1	ZINC000592721485	398475259	/nfs/dbraw/zinc/47/52/59/398475259.db2.gz	KZSCOEHFBJKNMD-CGZBRXJRSA-N	0	3	313.376	2.885	20	30		DFEDHN
C=CCCOCCNCc1ccc(Cl)cc1-n1cncn1	ZINC000280193660	334961144	/nfs/dbraw/zinc/96/11/44/334961144.db2.gz	HJCAOGANDRQQLI-UHFFFAOYSA-N	0	3	306.797	2.603	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)cc1	ZINC000299427991	398492753	/nfs/dbraw/zinc/49/27/53/398492753.db2.gz	UFZGJGKRCZYPSO-LSDHHAIUSA-N	0	3	302.418	2.935	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000596785297	398501146	/nfs/dbraw/zinc/50/11/46/398501146.db2.gz	UDFUELGRRYOMLF-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=CCC[C@H](C)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000279608708	215001667	/nfs/dbraw/zinc/00/16/67/215001667.db2.gz	FLBHCXBMSUWVTB-GWCFXTLKSA-N	0	3	311.223	2.920	20	30		DFEDHN
CCN(C(=O)Nc1cccc(C#N)c1C)[C@@H]1CCN(CC)C1	ZINC000596803774	398505031	/nfs/dbraw/zinc/50/50/31/398505031.db2.gz	SQKOEDODEASWJG-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000596839552	398510802	/nfs/dbraw/zinc/51/08/02/398510802.db2.gz	RNDFFOUKUVHULQ-ZDUSSCGKSA-N	0	3	316.405	2.561	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCC1(C#N)CCCCC1	ZINC000596857166	398515066	/nfs/dbraw/zinc/51/50/66/398515066.db2.gz	ITXRRPHQFPKOHR-UHFFFAOYSA-N	0	3	320.481	2.978	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596869556	398519161	/nfs/dbraw/zinc/51/91/61/398519161.db2.gz	SYTCBNBMSXTCRN-HZPDHXFCSA-N	0	3	318.465	2.586	20	30		DFEDHN
N#Cc1ccc(CN2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1	ZINC000593031136	398525281	/nfs/dbraw/zinc/52/52/81/398525281.db2.gz	TVUMVENRJFHLSE-HNNXBMFYSA-N	0	3	303.362	2.593	20	30		DFEDHN
CCC1CCC(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000317028929	398533935	/nfs/dbraw/zinc/53/39/35/398533935.db2.gz	SMOJWJLCLABKCS-UHFFFAOYSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000589254880	398540900	/nfs/dbraw/zinc/54/09/00/398540900.db2.gz	ROKFPLRAKMLPQO-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](Cn2ccnn2)C1	ZINC000092070196	398556516	/nfs/dbraw/zinc/55/65/16/398556516.db2.gz	GVTLUYFZIRRBAK-INIZCTEOSA-N	0	3	312.417	2.755	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(C#N)cc1	ZINC000324201868	398562324	/nfs/dbraw/zinc/56/23/24/398562324.db2.gz	MBNGMENIEAQUJP-KBXCAEBGSA-N	0	3	321.380	2.520	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1nccn1CC(F)(F)F	ZINC000280543037	334967897	/nfs/dbraw/zinc/96/78/97/334967897.db2.gz	DBUNQPMSUDKZTQ-WCQYABFASA-N	0	3	303.328	2.516	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N	ZINC000079819618	282614627	/nfs/dbraw/zinc/61/46/27/282614627.db2.gz	ZPSOULHARSNLTE-UHFFFAOYSA-N	0	3	306.385	2.749	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@@H](Nc4ncccn4)C3)cc2)CC1	ZINC000597153830	398576498	/nfs/dbraw/zinc/57/64/98/398576498.db2.gz	JETMIDDSIDWKJM-QGZVFWFLSA-N	0	3	319.412	2.718	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597172422	398581542	/nfs/dbraw/zinc/58/15/42/398581542.db2.gz	FIBDBXLBOMIWNL-TXEJJXNPSA-N	0	3	321.371	2.829	20	30		DFEDHN
COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000597177438	398582383	/nfs/dbraw/zinc/58/23/83/398582383.db2.gz	MIOFXNVDWXHUJN-CABCVRRESA-N	0	3	316.401	2.753	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCC(=O)N1CCOc2ccccc21	ZINC000348167172	398582898	/nfs/dbraw/zinc/58/28/98/398582898.db2.gz	DFURSHMVQRYFDO-OAHLLOKOSA-N	0	3	300.402	2.843	20	30		DFEDHN
COCCC1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000597184008	398583880	/nfs/dbraw/zinc/58/38/80/398583880.db2.gz	QKIXZTQEEBQVFH-UHFFFAOYSA-N	0	3	324.428	2.932	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000590000811	398589731	/nfs/dbraw/zinc/58/97/31/398589731.db2.gz	PGEYCHMYMHGUFB-KBXCAEBGSA-N	0	3	307.397	2.614	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1	ZINC000084187156	192411080	/nfs/dbraw/zinc/41/10/80/192411080.db2.gz	BLASQNYKDYQUKT-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCC1(C#N)CCCC1)c1ccccc1	ZINC000593294526	398591449	/nfs/dbraw/zinc/59/14/49/398591449.db2.gz	MGGYVRHJLJVQHB-INIZCTEOSA-N	0	3	314.433	2.672	20	30		DFEDHN
CCc1nsc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000092681715	398593659	/nfs/dbraw/zinc/59/36/59/398593659.db2.gz	UKURFMJBLYJTAT-UHFFFAOYSA-N	0	3	315.446	2.540	20	30		DFEDHN
CC[C@@H](CNC(=O)CC1(C#N)CC1)N1CCc2ccccc2C1	ZINC000590152478	398601210	/nfs/dbraw/zinc/60/12/10/398601210.db2.gz	HJNAVPZEJJLOAV-KRWDZBQOSA-N	0	3	311.429	2.633	20	30		DFEDHN
CC(C)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000043069009	398612068	/nfs/dbraw/zinc/61/20/68/398612068.db2.gz	OVFFWZQFZAVPJJ-OAHLLOKOSA-N	0	3	316.449	2.676	20	30		DFEDHN
C[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000147732678	186041368	/nfs/dbraw/zinc/04/13/68/186041368.db2.gz	GBEDWZWEGURXSF-XJKSGUPXSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#CC1(CC(=O)NCCN2CCC3(CCCCC3)CC2)CC1	ZINC000590362705	398616951	/nfs/dbraw/zinc/61/69/51/398616951.db2.gz	AAZBZMIVUOEETM-UHFFFAOYSA-N	0	3	303.450	2.843	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1	ZINC000043585762	398626029	/nfs/dbraw/zinc/62/60/29/398626029.db2.gz	VHVAKVKWAFQBPS-UONOGXRCSA-N	0	3	317.433	2.861	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)NCC1(C#N)CCCC1	ZINC000593429457	398626103	/nfs/dbraw/zinc/62/61/03/398626103.db2.gz	GYTAJSRYZMQGPI-HOTGVXAUSA-N	0	3	318.465	2.729	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C#N)CCCCC1	ZINC000597361555	398629039	/nfs/dbraw/zinc/62/90/39/398629039.db2.gz	SZSFTYKGWUIMNR-CVEARBPZSA-N	0	3	303.450	2.936	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000593441868	398630677	/nfs/dbraw/zinc/63/06/77/398630677.db2.gz	XZYYNCSMZLKIRK-HNNXBMFYSA-N	0	3	317.458	2.766	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](CC3CC3)C2)cc1	ZINC000590524474	398629220	/nfs/dbraw/zinc/62/92/20/398629220.db2.gz	ZVXJAIXLSMBRAG-ZWKOTPCHSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CN2CCN(c3nccc4[nH]ccc43)CC2)cc1	ZINC000590570255	398632743	/nfs/dbraw/zinc/63/27/43/398632743.db2.gz	XZPOBUHZTDTDKN-UHFFFAOYSA-N	0	3	317.396	2.757	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN(CCC#N)CC2CC2)C1	ZINC000590602093	398637469	/nfs/dbraw/zinc/63/74/69/398637469.db2.gz	FGQGADFDSDYXDR-MRXNPFEDSA-N	0	3	305.466	2.897	20	30		DFEDHN
COCC1(NCc2ccccc2C(C)(C)C#N)CCOCC1	ZINC000590602207	398637503	/nfs/dbraw/zinc/63/75/03/398637503.db2.gz	XIGNNWUDKOTGAE-UHFFFAOYSA-N	0	3	302.418	2.773	20	30		DFEDHN
CC(C)(C)OC(=O)NCC(C)(C)NCc1ccc(C#N)cc1	ZINC000171440245	186160352	/nfs/dbraw/zinc/16/03/52/186160352.db2.gz	OJNXPNBTTDTZGF-UHFFFAOYSA-N	0	3	303.406	2.951	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3ccncc3)CC2)c(F)c1	ZINC000177856827	186194149	/nfs/dbraw/zinc/19/41/49/186194149.db2.gz	XDSLEXKWBWYAFT-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000362015744	398642475	/nfs/dbraw/zinc/64/24/75/398642475.db2.gz	OPTAVEBBLQQLOQ-IAGOWNOFSA-N	0	3	302.418	2.771	20	30		DFEDHN
CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1ccccc1C	ZINC000593500492	398647408	/nfs/dbraw/zinc/64/74/08/398647408.db2.gz	OXESZKJOMDLGLA-UKRRQHHQSA-N	0	3	302.374	2.655	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1	ZINC000590705723	398655944	/nfs/dbraw/zinc/65/59/44/398655944.db2.gz	JZOJGXMBBHRWMA-AEFFLSMTSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1	ZINC000277206364	213366527	/nfs/dbraw/zinc/36/65/27/213366527.db2.gz	QEXLPQFBJIHLGJ-SFHVURJKSA-N	0	3	322.412	2.656	20	30		DFEDHN
COc1cc(CNC[C@@]2(CO)CCc3ccccc32)ccc1C#N	ZINC000593652542	398665572	/nfs/dbraw/zinc/66/55/72/398665572.db2.gz	GOWDELXIRQHPIO-HXUWFJFHSA-N	0	3	322.408	2.533	20	30		DFEDHN
CCN1CCCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000287235557	219396691	/nfs/dbraw/zinc/39/66/91/219396691.db2.gz	JRYNKVWCXTUDQY-UHFFFAOYSA-N	0	3	322.250	2.848	20	30		DFEDHN
CC[C@H](C#N)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1	ZINC000593687878	398671302	/nfs/dbraw/zinc/67/13/02/398671302.db2.gz	KNQLSTIERGMHET-LSDHHAIUSA-N	0	3	319.474	2.887	20	30		DFEDHN
C[C@@H](CCO)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000593694484	398672369	/nfs/dbraw/zinc/67/23/69/398672369.db2.gz	NIDOTMRDCWFRGT-HNNXBMFYSA-N	0	3	312.417	2.666	20	30		DFEDHN
CCn1nc(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000102115719	398675792	/nfs/dbraw/zinc/67/57/92/398675792.db2.gz	WYOHRPKTPNFUPT-LBPRGKRZSA-N	0	3	307.357	2.588	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nnc1-c1ccccc1OC	ZINC000072645634	191209391	/nfs/dbraw/zinc/20/93/91/191209391.db2.gz	NYMOSZNIRJNXLY-UHFFFAOYSA-N	0	3	318.446	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1	ZINC000172908464	198166372	/nfs/dbraw/zinc/16/63/72/198166372.db2.gz	UXBWSQVKDSRPIL-HUUCEWRRSA-N	0	3	320.383	2.835	20	30		DFEDHN
CN(CCCNC(=O)c1cccc(C#N)c1)Cc1ccccc1	ZINC000045581062	398677938	/nfs/dbraw/zinc/67/79/38/398677938.db2.gz	YUXPACYRBDQSAX-UHFFFAOYSA-N	0	3	307.397	2.810	20	30		DFEDHN
C=CCOCCCC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000173039133	198179434	/nfs/dbraw/zinc/17/94/34/198179434.db2.gz	MHLYJAMYJMXBHR-UHFFFAOYSA-N	0	3	316.445	2.750	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@](C)(C#N)C1	ZINC000590829889	398683158	/nfs/dbraw/zinc/68/31/58/398683158.db2.gz	PJSSKHKLGOXLCW-FUHWJXTLSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCc1ccccc1OCCN(C)C	ZINC000281226446	334978467	/nfs/dbraw/zinc/97/84/67/334978467.db2.gz	OTHOQOCQPPWYQX-MRXNPFEDSA-N	0	3	319.449	2.781	20	30		DFEDHN
CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000597709732	398683682	/nfs/dbraw/zinc/68/36/82/398683682.db2.gz	APQBLIDBJZAHDL-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C)cc(C#N)c1	ZINC000590858396	398688109	/nfs/dbraw/zinc/68/81/09/398688109.db2.gz	OUDGCXXOSLEUTO-HNNXBMFYSA-N	0	3	300.406	2.863	20	30		DFEDHN
Cc1cc(NC(=O)CC2(C#N)CCOCC2)ccc1CN(C)C	ZINC000597763469	398692097	/nfs/dbraw/zinc/69/20/97/398692097.db2.gz	GAQJXZGLRNWGBK-UHFFFAOYSA-N	0	3	315.417	2.706	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](Cc1nc(C)no1)c1ccccc1	ZINC000277126706	213310775	/nfs/dbraw/zinc/31/07/75/213310775.db2.gz	IELGNFJYXOUKAW-JKSUJKDBSA-N	0	3	301.390	2.579	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCCc2ccccn2)CC1	ZINC000106290789	398695868	/nfs/dbraw/zinc/69/58/68/398695868.db2.gz	SCYICRJFMAVJES-UHFFFAOYSA-N	0	3	301.434	2.561	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccc(OC)c2)CC1	ZINC000106034748	398695404	/nfs/dbraw/zinc/69/54/04/398695404.db2.gz	GNXLWAYHENZNGQ-HNNXBMFYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1cccn1C)C(C)C	ZINC000073710609	398695435	/nfs/dbraw/zinc/69/54/35/398695435.db2.gz	UVBNNGXETDWAOY-KRWDZBQOSA-N	0	3	318.465	2.523	20	30		DFEDHN
C[C@H](NCc1ccnc(OCCN(C)C)c1)c1cccc(C#N)c1	ZINC000182091061	199385336	/nfs/dbraw/zinc/38/53/36/199385336.db2.gz	LNMRFEPNILHBGW-HNNXBMFYSA-N	0	3	324.428	2.744	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000107433762	398702879	/nfs/dbraw/zinc/70/28/79/398702879.db2.gz	UENNWCIVZFYBMA-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)nc1	ZINC000107443248	398702668	/nfs/dbraw/zinc/70/26/68/398702668.db2.gz	JPIBQJBSKGFKIC-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
Cc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2C)ccc1C#N	ZINC000332014755	234387822	/nfs/dbraw/zinc/38/78/22/234387822.db2.gz	GHTIBMPLZWPJAS-IRXDYDNUSA-N	0	3	310.401	2.610	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000046380740	398706013	/nfs/dbraw/zinc/70/60/13/398706013.db2.gz	MSEHCKASCCFRKW-CABCVRRESA-N	0	3	314.433	2.650	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000597861846	398706032	/nfs/dbraw/zinc/70/60/32/398706032.db2.gz	XETUAQWBVJINDG-YESZJQIVSA-N	0	3	311.429	2.651	20	30		DFEDHN
Cc1ccnc(NC[C@H]2CCN(Cc3ccc(C#N)cn3)C2)c1	ZINC000593957501	398707846	/nfs/dbraw/zinc/70/78/46/398707846.db2.gz	BJGOCZLKWSHYGS-MRXNPFEDSA-N	0	3	307.401	2.591	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000593961515	398708863	/nfs/dbraw/zinc/70/88/63/398708863.db2.gz	YSWIEAJPXSMNLG-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
CCCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C#N)cc1	ZINC000174821260	198389464	/nfs/dbraw/zinc/38/94/64/198389464.db2.gz	AUFJEGLZPVYIME-UHFFFAOYSA-N	0	3	313.361	2.575	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1	ZINC000108508475	398712346	/nfs/dbraw/zinc/71/23/46/398712346.db2.gz	AHLCNYKDMNKFSH-MRXNPFEDSA-N	0	3	315.417	2.857	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCCC#N	ZINC000593974718	398712393	/nfs/dbraw/zinc/71/23/93/398712393.db2.gz	XLHNQRDFNAMFHA-UHFFFAOYSA-N	0	3	323.387	2.939	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000593984448	398713821	/nfs/dbraw/zinc/71/38/21/398713821.db2.gz	YPMCZIUGZDJOFM-IIDMSEBBSA-N	0	3	313.445	2.678	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1	ZINC000597899855	398715971	/nfs/dbraw/zinc/71/59/71/398715971.db2.gz	QZLKNPQIFRCAEV-WFASDCNBSA-N	0	3	314.385	2.614	20	30		DFEDHN
Cc1ccncc1[C@@H](C)NCCC(=O)Nc1ccccc1C#N	ZINC000591026701	398716959	/nfs/dbraw/zinc/71/69/59/398716959.db2.gz	ZPUKZDHOPAWDSP-CQSZACIVSA-N	0	3	308.385	2.941	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1	ZINC000597912704	398719138	/nfs/dbraw/zinc/71/91/38/398719138.db2.gz	WAQAQSRQVULRFP-ZWKOTPCHSA-N	0	3	311.429	2.803	20	30		DFEDHN
CC(C)N(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC(=O)N1	ZINC000591056104	398719584	/nfs/dbraw/zinc/71/95/84/398719584.db2.gz	BHYWHCISLPSUMW-KRWDZBQOSA-N	0	3	313.445	2.977	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000597920954	398721340	/nfs/dbraw/zinc/72/13/40/398721340.db2.gz	DCCTYOWFQYDWRC-HNNXBMFYSA-N	0	3	324.428	2.767	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000597923122	398721781	/nfs/dbraw/zinc/72/17/81/398721781.db2.gz	LRXRJJXERACKNV-ZDUSSCGKSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@]1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000597925660	398722831	/nfs/dbraw/zinc/72/28/31/398722831.db2.gz	PJNJXPZWCNNMLF-VQIMIIECSA-N	0	3	312.413	2.786	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000597925452	398722664	/nfs/dbraw/zinc/72/26/64/398722664.db2.gz	VLOIGLOTBWODGL-INIZCTEOSA-N	0	3	311.429	2.844	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1	ZINC000281550089	334980497	/nfs/dbraw/zinc/98/04/97/334980497.db2.gz	JGUWJRZIBHWQOK-NSHDSACASA-N	0	3	300.324	2.528	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)CSCC#N)c1ccsc1	ZINC000046945915	398726881	/nfs/dbraw/zinc/72/68/81/398726881.db2.gz	WBYJKRZUTMZVCX-CYBMUJFWSA-N	0	3	311.476	2.504	20	30		DFEDHN
CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCCO1	ZINC000594041073	398728603	/nfs/dbraw/zinc/72/86/03/398728603.db2.gz	CDAATHFLQSWMSZ-HZPDHXFCSA-N	0	3	321.465	2.609	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000074201743	398730718	/nfs/dbraw/zinc/73/07/18/398730718.db2.gz	MPXYWKJDJRNGOC-CQSZACIVSA-N	0	3	302.422	2.650	20	30		DFEDHN
CN1CCC(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000074220464	398732169	/nfs/dbraw/zinc/73/21/69/398732169.db2.gz	MROVYMZGHCOBCX-ZWKOTPCHSA-N	0	3	311.429	2.627	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1CC1CCCC1	ZINC000594052344	398732979	/nfs/dbraw/zinc/73/29/79/398732979.db2.gz	DSPJFKDQBREDEZ-QGZVFWFLSA-N	0	3	316.449	2.687	20	30		DFEDHN
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCN(CC)C1	ZINC000598043792	398742674	/nfs/dbraw/zinc/74/26/74/398742674.db2.gz	VIUVGZVAWBFIGW-MRXNPFEDSA-N	0	3	324.428	2.721	20	30		DFEDHN
C[C@@H](C#N)N(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1	ZINC000598131003	398759263	/nfs/dbraw/zinc/75/92/63/398759263.db2.gz	VXVQMXZMKLWJKO-RDJZCZTQSA-N	0	3	311.429	2.802	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1	ZINC000594195983	398762828	/nfs/dbraw/zinc/76/28/28/398762828.db2.gz	JRPIIJIHUHCOBV-JKSUJKDBSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cncc(N[C@@H](CN2CCCCC2)c2ccccc2)n1	ZINC000591459452	398763442	/nfs/dbraw/zinc/76/34/42/398763442.db2.gz	NVXKWNJRZSXHII-KRWDZBQOSA-N	0	3	307.401	2.987	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000594208567	398766611	/nfs/dbraw/zinc/76/66/11/398766611.db2.gz	GIUSNXZGYXVZME-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1=O	ZINC000281394019	334982342	/nfs/dbraw/zinc/98/23/42/334982342.db2.gz	ZSFGYPKGISBEIT-SMDDNHRTSA-N	0	3	310.344	2.726	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594211983	398766978	/nfs/dbraw/zinc/76/69/78/398766978.db2.gz	JXRWHLUJEVIXRS-QGZVFWFLSA-N	0	3	314.433	2.560	20	30		DFEDHN
Cc1ccc(C)c2sc(NC(=O)[C@@H](N)CCCC#N)nc21	ZINC000591590881	398774379	/nfs/dbraw/zinc/77/43/79/398774379.db2.gz	ULVOOENBVWDTFE-NSHDSACASA-N	0	3	302.403	2.873	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCNC1	ZINC000591598747	398775253	/nfs/dbraw/zinc/77/52/53/398775253.db2.gz	TWDJGPYZLFCLGR-GOSISDBHSA-N	0	3	322.368	2.661	20	30		DFEDHN
CC(C)(C)N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O	ZINC000591611645	398775861	/nfs/dbraw/zinc/77/58/61/398775861.db2.gz	ATWUAUMVNODHIK-IRXDYDNUSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594249776	398774854	/nfs/dbraw/zinc/77/48/54/398774854.db2.gz	OJUJOQFOADIEOU-MAUKXSAKSA-N	0	3	315.461	2.829	20	30		DFEDHN
C[C@@H](NC(=O)[C@]1(C#N)CCNC1)c1cccc(Cl)c1Cl	ZINC000591616860	398776985	/nfs/dbraw/zinc/77/69/85/398776985.db2.gz	VSSAVLHEKCEDIP-OTYXRUKQSA-N	0	3	312.200	2.674	20	30		DFEDHN
C[C@@H](NC(=O)[C@@]1(C#N)CCNC1)c1cccc(Cl)c1Cl	ZINC000591616862	398777056	/nfs/dbraw/zinc/77/70/56/398777056.db2.gz	VSSAVLHEKCEDIP-YMTOWFKASA-N	0	3	312.200	2.674	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCNC1	ZINC000591618625	398777124	/nfs/dbraw/zinc/77/71/24/398777124.db2.gz	IMNDDYMSBUTBMU-KRWDZBQOSA-N	0	3	317.364	2.589	20	30		DFEDHN
CCN1C[C@H](CN(C)CCCSCC#N)Oc2ccccc21	ZINC000074981058	398779059	/nfs/dbraw/zinc/77/90/59/398779059.db2.gz	KXTGHRUGLJQQKO-HNNXBMFYSA-N	0	3	319.474	2.853	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2N[C@@H]2CCCc3cc(C#N)ccc32)cn1	ZINC000591660654	398779346	/nfs/dbraw/zinc/77/93/46/398779346.db2.gz	SGZHKTJPGCWGEK-QRVBRYPASA-N	0	3	322.412	2.789	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594289412	398779707	/nfs/dbraw/zinc/77/97/07/398779707.db2.gz	BDSTWKNGZYZVON-HNNXBMFYSA-N	0	3	311.429	2.503	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC([C@@H]3CCCOC3)CC2)cc1	ZINC000374847891	283187227	/nfs/dbraw/zinc/18/72/27/283187227.db2.gz	UASXSSNTMNVILH-MOPGFXCFSA-N	0	3	314.429	2.730	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)cc1	ZINC000591763695	398785660	/nfs/dbraw/zinc/78/56/60/398785660.db2.gz	CEHLXABTASRVQQ-YLJYHZDGSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#CC1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCCCC1	ZINC000598311036	398789086	/nfs/dbraw/zinc/78/90/86/398789086.db2.gz	UCEKCZFEUZJMDX-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC000594400324	398792653	/nfs/dbraw/zinc/79/26/53/398792653.db2.gz	PSDAJNMVCREORZ-ZDEQEGDKSA-N	0	3	308.422	2.655	20	30		DFEDHN
CC(C)[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1CCCCC1	ZINC000594410094	398794922	/nfs/dbraw/zinc/79/49/22/398794922.db2.gz	ZSUXCTTYBJCMPX-SFHVURJKSA-N	0	3	311.429	2.911	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(OC(C)C)nc2)nc(C)n1	ZINC000049408273	398795238	/nfs/dbraw/zinc/79/52/38/398795238.db2.gz	NWWMEYOSNPLLGE-CQSZACIVSA-N	0	3	310.357	2.766	20	30		DFEDHN
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](N)CCCCC#N	ZINC000594425431	398798134	/nfs/dbraw/zinc/79/81/34/398798134.db2.gz	IWAFFZVBIXUPAD-CQSZACIVSA-N	0	3	311.788	2.849	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1	ZINC000594424874	398797876	/nfs/dbraw/zinc/79/78/76/398797876.db2.gz	DDXYVQDOGCXIKY-MRXNPFEDSA-N	0	3	303.381	2.728	20	30		DFEDHN
CC(C)C(=O)Nc1cccc(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594426461	398797927	/nfs/dbraw/zinc/79/79/27/398797927.db2.gz	CZEWTMSMMKFKFQ-OAHLLOKOSA-N	0	3	316.405	2.631	20	30		DFEDHN
CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594426425	398797933	/nfs/dbraw/zinc/79/79/33/398797933.db2.gz	CUPFAUJXIGONKF-CJNGLKHVSA-N	0	3	303.406	2.674	20	30		DFEDHN
CC(C)c1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594425929	398798032	/nfs/dbraw/zinc/79/80/32/398798032.db2.gz	MWVMTEYDXJCVSX-QGZVFWFLSA-N	0	3	301.434	2.880	20	30		DFEDHN
CCOc1ccccc1[C@@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594427473	398798618	/nfs/dbraw/zinc/79/86/18/398798618.db2.gz	IXVBQVQLFLILIG-UKRRQHHQSA-N	0	3	303.406	2.674	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C(=O)[C@@H](N)CCCCC#N	ZINC000594429475	398798657	/nfs/dbraw/zinc/79/86/57/398798657.db2.gz	QFOFSMULIYLMNR-HNNXBMFYSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccccc21	ZINC000594428353	398798923	/nfs/dbraw/zinc/79/89/23/398798923.db2.gz	YIEIOXCGXYBGBE-UONOGXRCSA-N	0	3	303.431	2.751	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21	ZINC000594429496	398798935	/nfs/dbraw/zinc/79/89/35/398798935.db2.gz	QOENAYSCOTWDGW-KGLIPLIRSA-N	0	3	321.421	2.890	20	30		DFEDHN
COc1ccccc1CN(C(=O)[C@H](N)CCCCC#N)C1CC1	ZINC000594429033	398798958	/nfs/dbraw/zinc/79/89/58/398798958.db2.gz	PULVGNUKCMEYBU-MRXNPFEDSA-N	0	3	315.417	2.597	20	30		DFEDHN
CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H](C)C#N	ZINC000598356653	398799208	/nfs/dbraw/zinc/79/92/08/398799208.db2.gz	UBVYWNGMNYYREJ-HOCLYGCPSA-N	0	3	317.408	2.798	20	30		DFEDHN
COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](N)CCCCC#N	ZINC000594430153	398799799	/nfs/dbraw/zinc/79/97/99/398799799.db2.gz	ZLSYRXSKYNSOCS-IAGOWNOFSA-N	0	3	315.417	2.600	20	30		DFEDHN
C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594429874	398799811	/nfs/dbraw/zinc/79/98/11/398799811.db2.gz	XOVCRAPHRUFUBH-LSDHHAIUSA-N	0	3	314.433	2.517	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl	ZINC000594432031	398800641	/nfs/dbraw/zinc/80/06/41/398800641.db2.gz	VRAIXTDWZWBZSH-GJZGRUSLSA-N	0	3	305.809	2.855	20	30		DFEDHN
Cc1cccc(C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594432182	398800652	/nfs/dbraw/zinc/80/06/52/398800652.db2.gz	ZHVMJOQOYIAJTG-INIZCTEOSA-N	0	3	301.434	2.800	20	30		DFEDHN
Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594432725	398800725	/nfs/dbraw/zinc/80/07/25/398800725.db2.gz	GAMFFJRRBXCOJR-NVXWUHKLSA-N	0	3	301.434	2.762	20	30		DFEDHN
Cc1ccccc1C(C)(C)CNC(=O)[C@@H](N)CCCCC#N	ZINC000594431686	398800445	/nfs/dbraw/zinc/80/04/45/398800445.db2.gz	PRQYGIRDQMNUIE-INIZCTEOSA-N	0	3	301.434	2.800	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1	ZINC000594434868	398801187	/nfs/dbraw/zinc/80/11/87/398801187.db2.gz	VEPNYNHHIDWGHP-AWEZNQCLSA-N	0	3	305.809	2.857	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](Cc2ccccc2)C1	ZINC000594434342	398801488	/nfs/dbraw/zinc/80/14/88/398801488.db2.gz	NUSSWGWRBYLPFD-QZTJIDSGSA-N	0	3	313.445	2.879	20	30		DFEDHN
CC(C)c1ccccc1OCCNC(=O)[C@H](N)CCCCC#N	ZINC000594433836	398801595	/nfs/dbraw/zinc/80/15/95/398801595.db2.gz	HVZQZYDNLUWOHG-MRXNPFEDSA-N	0	3	317.433	2.716	20	30		DFEDHN
Cc1cc(N(C)C)cc(C)c1NC(=O)[C@H](N)CCCCC#N	ZINC000594436797	398802208	/nfs/dbraw/zinc/80/22/08/398802208.db2.gz	JFNSTWSFYIOWPG-OAHLLOKOSA-N	0	3	302.422	2.719	20	30		DFEDHN
CN(Cc1ccc(F)cc1Cl)C(=O)[C@H](N)CCCCC#N	ZINC000594435049	398801660	/nfs/dbraw/zinc/80/16/60/398801660.db2.gz	ZQLXEHXUVVGAKE-CQSZACIVSA-N	0	3	311.788	2.849	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)ccn1	ZINC000290711378	283255967	/nfs/dbraw/zinc/25/59/67/283255967.db2.gz	UIGLHUWPARWXJX-UHFFFAOYSA-N	0	3	314.433	2.681	20	30		DFEDHN
Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)s1	ZINC000594436723	398802121	/nfs/dbraw/zinc/80/21/21/398802121.db2.gz	FXJHEWRBSIVGQX-YPMHNXCESA-N	0	3	308.451	2.691	20	30		DFEDHN
Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N)s1	ZINC000594436721	398802515	/nfs/dbraw/zinc/80/25/15/398802515.db2.gz	FXJHEWRBSIVGQX-DGCLKSJQSA-N	0	3	308.451	2.691	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC(=O)[C@H](N)CCCCC#N	ZINC000594439888	398802957	/nfs/dbraw/zinc/80/29/57/398802957.db2.gz	RVPDQCDKKHNAKZ-HZPDHXFCSA-N	0	3	315.417	2.600	20	30		DFEDHN
CN(C)c1c(Cl)cccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594440429	398803002	/nfs/dbraw/zinc/80/30/02/398803002.db2.gz	CEWGJYAGLGRNIL-LBPRGKRZSA-N	0	3	308.813	2.756	20	30		DFEDHN
CCN(Cc1c(F)cccc1F)C(=O)[C@H](N)CCCCC#N	ZINC000594440152	398803103	/nfs/dbraw/zinc/80/31/03/398803103.db2.gz	VCYHKNQCYFHKLQ-OAHLLOKOSA-N	0	3	309.360	2.725	20	30		DFEDHN
CN(Cc1nc2ccccc2s1)C(=O)[C@@H](N)CCCCC#N	ZINC000594440850	398803162	/nfs/dbraw/zinc/80/31/62/398803162.db2.gz	IRZPYCGDNUEALZ-LBPRGKRZSA-N	0	3	316.430	2.666	20	30		DFEDHN
CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F	ZINC000594442445	398803341	/nfs/dbraw/zinc/80/33/41/398803341.db2.gz	GIMPFIMAIQUFIK-QWRGUYRKSA-N	0	3	307.360	2.881	20	30		DFEDHN
CC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)c1nc(C)cs1	ZINC000594440028	398803427	/nfs/dbraw/zinc/80/34/27/398803427.db2.gz	XYKTUVYCQOUVAQ-IUODEOHRSA-N	0	3	308.451	2.604	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCc1ccc(F)cc1Cl	ZINC000594445053	398804012	/nfs/dbraw/zinc/80/40/12/398804012.db2.gz	OFALIOHLSRJINB-CQSZACIVSA-N	0	3	311.788	2.549	20	30		DFEDHN
Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594442924	398804109	/nfs/dbraw/zinc/80/41/09/398804109.db2.gz	CXWFOCPFJMDNOZ-RDJZCZTQSA-N	0	3	301.434	2.796	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(CC)CC	ZINC000594446505	398804490	/nfs/dbraw/zinc/80/44/90/398804490.db2.gz	UQODIFFZSSDEEE-ARFHVFGLSA-N	0	3	323.481	2.840	20	30		DFEDHN
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594445269	398804554	/nfs/dbraw/zinc/80/45/54/398804554.db2.gz	JANHWRGNNCZYAX-CQSZACIVSA-N	0	3	312.373	3.000	20	30		DFEDHN
COC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594444963	398803695	/nfs/dbraw/zinc/80/36/95/398803695.db2.gz	GWAGUNRTNDWSEX-CABCVRRESA-N	0	3	323.824	2.555	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc2O1	ZINC000594445063	398803860	/nfs/dbraw/zinc/80/38/60/398803860.db2.gz	OMHVWFCFZOXHCU-LSDHHAIUSA-N	0	3	315.417	2.816	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1	ZINC000594446878	398804810	/nfs/dbraw/zinc/80/48/10/398804810.db2.gz	YWOSXMGLEOOBER-KRWDZBQOSA-N	0	3	313.445	2.927	20	30		DFEDHN
CCc1c(NC(=O)[C@H](N)CCCCC#N)onc1C(F)(F)F	ZINC000594468017	398806966	/nfs/dbraw/zinc/80/69/66/398806966.db2.gz	IJDIAKCDHZOXPC-SECBINFHSA-N	0	3	318.299	2.606	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2F)co1	ZINC000594466664	398807107	/nfs/dbraw/zinc/80/71/07/398807107.db2.gz	CIBYQOOHFKZZDV-CYBMUJFWSA-N	0	3	316.336	2.830	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1	ZINC000594506812	398812294	/nfs/dbraw/zinc/81/22/94/398812294.db2.gz	DHBXVDDYFUXUDK-SJORKVTESA-N	0	3	311.429	2.731	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1	ZINC000594510369	398812514	/nfs/dbraw/zinc/81/25/14/398812514.db2.gz	DDZCYJJVLBUQQT-UHFFFAOYSA-N	0	3	322.474	2.791	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000598421208	398810469	/nfs/dbraw/zinc/81/04/69/398810469.db2.gz	DOXHEOSEFHRTHT-KURKYZTESA-N	0	3	305.381	2.950	20	30		DFEDHN
N#Cc1ccc2ncc(CNC[C@@H]3CCC4(CCCC4)O3)n2c1	ZINC000594520792	398815501	/nfs/dbraw/zinc/81/55/01/398815501.db2.gz	BUBJFKGNFXEUGI-INIZCTEOSA-N	0	3	310.401	2.787	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN[C@@H](CCCO)c2ccccc2)cc1	ZINC000179761134	199077508	/nfs/dbraw/zinc/07/75/08/199077508.db2.gz	FIVCOYLFNBXTAA-OALUTQOASA-N	0	3	310.397	2.695	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1	ZINC000051506473	398823187	/nfs/dbraw/zinc/82/31/87/398823187.db2.gz	YBGPPMKPGCSGEJ-QGZVFWFLSA-N	0	3	324.380	2.709	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@H]23)c1	ZINC000594597994	398827706	/nfs/dbraw/zinc/82/77/06/398827706.db2.gz	FSTJVAYALLDFJP-UKRRQHHQSA-N	0	3	300.362	2.895	20	30		DFEDHN
COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000598599859	398839344	/nfs/dbraw/zinc/83/93/44/398839344.db2.gz	ACGOHXQGVRSEBF-DOMZBBRYSA-N	0	3	312.360	2.543	20	30		DFEDHN
COCc1ccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1	ZINC000598604679	398840546	/nfs/dbraw/zinc/84/05/46/398840546.db2.gz	PGFPOVGKNCVQLO-HIFRSBDPSA-N	0	3	306.406	2.864	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c(C)c1OC	ZINC000598615407	398841142	/nfs/dbraw/zinc/84/11/42/398841142.db2.gz	AJCAEPWQGZXTFW-ZIAGYGMSSA-N	0	3	320.433	2.964	20	30		DFEDHN
C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc(C#N)c1	ZINC000594723423	398848853	/nfs/dbraw/zinc/84/88/53/398848853.db2.gz	ANDZHNKKPXYAIZ-AWEZNQCLSA-N	0	3	320.458	2.956	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccc(OC(F)(F)F)cc1	ZINC000598699144	398857275	/nfs/dbraw/zinc/85/72/75/398857275.db2.gz	BPOKJKAXKKPBQN-LBPRGKRZSA-N	0	3	316.323	2.976	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cc(Br)cs1	ZINC000598700979	398857810	/nfs/dbraw/zinc/85/78/10/398857810.db2.gz	SICPTCBOMWRLFH-JTQLQIEISA-N	0	3	317.252	2.901	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C)nc1C)C(C)C	ZINC000180394202	199153732	/nfs/dbraw/zinc/15/37/32/199153732.db2.gz	XDMKLSCOIQJCBE-QGZVFWFLSA-N	0	3	316.449	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n(C(CC)CC)n2)CC1	ZINC000180522444	199171077	/nfs/dbraw/zinc/17/10/77/199171077.db2.gz	FUMUZBOMXJYIBR-UHFFFAOYSA-N	0	3	318.465	2.933	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598721712	398861721	/nfs/dbraw/zinc/86/17/21/398861721.db2.gz	YNOCDROPSSOOGC-GDBMZVCRSA-N	0	3	302.418	2.963	20	30		DFEDHN
C=CCCSCCNCc1cn(-c2ccncc2)nc1C	ZINC000594960325	398881872	/nfs/dbraw/zinc/88/18/72/398881872.db2.gz	NZMUHIHCROULIZ-UHFFFAOYSA-N	0	3	302.447	2.975	20	30		DFEDHN
COCC1(NCc2ccc(C3(C#N)CC3)cc2)CCOCC1	ZINC000594946045	398878945	/nfs/dbraw/zinc/87/89/45/398878945.db2.gz	ZZFJMHJVBPXEFA-UHFFFAOYSA-N	0	3	300.402	2.527	20	30		DFEDHN
CCO[C@H]1COCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000594946595	398879270	/nfs/dbraw/zinc/87/92/70/398879270.db2.gz	QELQLPHRKPCJAZ-IRXDYDNUSA-N	0	3	300.402	2.525	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nccn1C	ZINC000595000455	398889404	/nfs/dbraw/zinc/88/94/04/398889404.db2.gz	JKUKLSVOQQZQNC-CQSZACIVSA-N	0	3	309.417	2.611	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN[C@H]2C[C@H](O)C2)c1	ZINC000595000925	398889448	/nfs/dbraw/zinc/88/94/48/398889448.db2.gz	NFLKUDUEHCGNNE-IYARVYRRSA-N	0	3	308.381	2.750	20	30		DFEDHN
CC#CCN1CCC2(C[C@@H]2N(Cc2ccsc2)C(C)=O)CC1	ZINC000276362411	212828792	/nfs/dbraw/zinc/82/87/92/212828792.db2.gz	IHBZRHAWAUWZND-KRWDZBQOSA-N	0	3	316.470	2.974	20	30		DFEDHN
N#CCN1CCC(NCc2ccsc2Br)CC1	ZINC000598960939	398898001	/nfs/dbraw/zinc/89/80/01/398898001.db2.gz	QCOTXGQTGCGMOP-UHFFFAOYSA-N	0	3	314.252	2.588	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1	ZINC000599053368	398913722	/nfs/dbraw/zinc/91/37/22/398913722.db2.gz	GRZCAZBWFZXSDO-MSOLQXFVSA-N	0	3	314.429	2.950	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)C[C@@H]1NCc3ccccc31)C2	ZINC000595250208	398912991	/nfs/dbraw/zinc/91/29/91/398912991.db2.gz	MQJNEFXWKRLITL-SFHVURJKSA-N	0	3	303.365	2.635	20	30		DFEDHN
C[C@]1(C#N)CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1	ZINC000595265104	398913914	/nfs/dbraw/zinc/91/39/14/398913914.db2.gz	JWVLMJIFZSNCFJ-IEBWSBKVSA-N	0	3	322.412	2.785	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000595287344	398916134	/nfs/dbraw/zinc/91/61/34/398916134.db2.gz	QFYBQICDGNFTIO-KRWDZBQOSA-N	0	3	308.381	2.873	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCC1	ZINC000599164093	398932034	/nfs/dbraw/zinc/93/20/34/398932034.db2.gz	JMUORWMIBYWAOT-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCC1	ZINC000599165736	398932318	/nfs/dbraw/zinc/93/23/18/398932318.db2.gz	RQUQVQWFMJLSSA-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
CO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1	ZINC000595406216	398933342	/nfs/dbraw/zinc/93/33/42/398933342.db2.gz	AXASHRKXGBVCDL-RTBURBONSA-N	0	3	312.413	2.699	20	30		DFEDHN
C[S@](=O)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416346	398933990	/nfs/dbraw/zinc/93/39/90/398933990.db2.gz	ANTPXOFIQXNSGU-GCJKJVERSA-N	0	3	312.438	2.810	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)CC1	ZINC000599260789	398943941	/nfs/dbraw/zinc/94/39/41/398943941.db2.gz	FMXUFMSWTJESLO-HUUCEWRRSA-N	0	3	320.458	2.784	20	30		DFEDHN
CCc1ccc([C@H](C)NCC(=O)N(CC)C[C@@H](C)C#N)cc1	ZINC000154934882	398943984	/nfs/dbraw/zinc/94/39/84/398943984.db2.gz	WGAYELLPHMJCNT-GJZGRUSLSA-N	0	3	301.434	2.908	20	30		DFEDHN
CCN(C[C@H](O)CC1(O)CCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000599270393	398945695	/nfs/dbraw/zinc/94/56/95/398945695.db2.gz	IMWAEYRNZHEVLW-RHSMWYFYSA-N	0	3	302.418	2.607	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)CC2(C#N)CCOCC2)s1	ZINC000599281890	398947191	/nfs/dbraw/zinc/94/71/91/398947191.db2.gz	WXRYHORBAFYQQF-CQSZACIVSA-N	0	3	308.447	2.560	20	30		DFEDHN
CC(C)[C@](C)(NCc1ccc(C#N)cc1C(F)(F)F)C(N)=O	ZINC000595483336	398947783	/nfs/dbraw/zinc/94/77/83/398947783.db2.gz	LKACLSVKQJWSCF-AWEZNQCLSA-N	0	3	313.323	2.567	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCC[C@@H]2c2ccco2)CCOCC1	ZINC000599294889	398949495	/nfs/dbraw/zinc/94/94/95/398949495.db2.gz	SOPQCPYRRYVWPZ-HZPDHXFCSA-N	0	3	318.417	2.878	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCc3ccccc3C2)CCOCC1	ZINC000599298266	398949682	/nfs/dbraw/zinc/94/96/82/398949682.db2.gz	XAGDDPFEOLZMIA-SFHVURJKSA-N	0	3	314.429	2.506	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCSC[C@@H]2c2ccccc2)CC1	ZINC000599294041	398948774	/nfs/dbraw/zinc/94/87/74/398948774.db2.gz	AECXFMCXADZDEJ-HZPDHXFCSA-N	0	3	302.443	2.831	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000272007556	209378991	/nfs/dbraw/zinc/37/89/91/209378991.db2.gz	PKXSADFOHWICRV-KSSFIOAISA-N	0	3	322.412	2.527	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3c(c2)N=S=N3)CC1	ZINC000271983398	209358806	/nfs/dbraw/zinc/35/88/06/209358806.db2.gz	ZMRRZCNPENOWKB-UHFFFAOYSA-N	0	3	302.403	2.793	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)CN(CCC#N)CC(C)(C)C	ZINC000157244777	398953292	/nfs/dbraw/zinc/95/32/92/398953292.db2.gz	FCNJIESTEQMOAI-SFHVURJKSA-N	0	3	317.477	2.741	20	30		DFEDHN
Cc1csc(C2(NC[C@@H](O)CC3(C#N)CC3)CCCC2)n1	ZINC000599331620	398955486	/nfs/dbraw/zinc/95/54/86/398955486.db2.gz	UXSLRBMRUYULKR-ZDUSSCGKSA-N	0	3	305.447	2.865	20	30		DFEDHN
COC(=O)c1cccc2c1CCN(CCc1ccc(C#N)cc1)C2	ZINC000595531318	398957360	/nfs/dbraw/zinc/95/73/60/398957360.db2.gz	WPDUYEIKSPQFSM-UHFFFAOYSA-N	0	3	320.392	2.946	20	30		DFEDHN
N#CC1(C[C@@H](O)CNC2(c3ccc(F)cc3F)CCC2)CC1	ZINC000599357195	398961650	/nfs/dbraw/zinc/96/16/50/398961650.db2.gz	SNYXFHRNXIVRGF-CYBMUJFWSA-N	0	3	306.356	2.988	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595546899	398964591	/nfs/dbraw/zinc/96/45/91/398964591.db2.gz	PLHHMIWFNSZNGJ-JKSUJKDBSA-N	0	3	320.481	2.880	20	30		DFEDHN
C[C@@H]1CN(CCNC2(c3ccc(C#N)cc3)CCC2)C[C@H](C)O1	ZINC000595564043	398973118	/nfs/dbraw/zinc/97/31/18/398973118.db2.gz	YCHVCEAOBZXJRE-IYBDPMFKSA-N	0	3	313.445	2.636	20	30		DFEDHN
Cc1ccc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1C#N	ZINC000599429041	398979542	/nfs/dbraw/zinc/97/95/42/398979542.db2.gz	OKJGLQYDCDNNDM-KRWDZBQOSA-N	0	3	311.429	2.603	20	30		DFEDHN
Cc1ccc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1C#N	ZINC000599427577	398979554	/nfs/dbraw/zinc/97/95/54/398979554.db2.gz	CSWYPTRUNZIFHE-RDTXWAMCSA-N	0	3	307.397	2.614	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1C	ZINC000595574823	398979864	/nfs/dbraw/zinc/97/98/64/398979864.db2.gz	QDOVZWOEEDMBFN-MSOLQXFVSA-N	0	3	310.401	2.528	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000271867014	209280897	/nfs/dbraw/zinc/28/08/97/209280897.db2.gz	LSQJPWQZJXYKAB-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)nc2)CC1	ZINC000281535258	216367071	/nfs/dbraw/zinc/36/70/71/216367071.db2.gz	RKRZDPCTLIZXQG-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1	ZINC000595591214	398988486	/nfs/dbraw/zinc/98/84/86/398988486.db2.gz	KPHREVTVPXJITL-CVEARBPZSA-N	0	3	302.422	2.653	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000595604512	398994655	/nfs/dbraw/zinc/99/46/55/398994655.db2.gz	SBSWOTNIFMIWHY-IUODEOHRSA-N	0	3	317.389	2.918	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H](O)COc2cccc3[nH]ccc32)C1	ZINC000595614756	399000681	/nfs/dbraw/zinc/00/06/81/399000681.db2.gz	NQBGNAKGASPOLV-HUUCEWRRSA-N	0	3	313.401	2.533	20	30		DFEDHN
CC1(C)CCC(C)(C)N(CC(=O)N(CCC#N)CCC#N)C1	ZINC000599538714	399006491	/nfs/dbraw/zinc/00/64/91/399006491.db2.gz	QRTROUGKUFWIHY-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1	ZINC000275503931	212377634	/nfs/dbraw/zinc/37/76/34/212377634.db2.gz	RIHSJIOFVSXUMM-QGZVFWFLSA-N	0	3	313.445	2.877	20	30		DFEDHN
C[C@@H]1CN(c2nccnc2C#N)CCN1CCCC(C)(C)C	ZINC000275478758	212358900	/nfs/dbraw/zinc/35/89/00/212358900.db2.gz	QCRGOVRDUVSEBP-CQSZACIVSA-N	0	3	301.438	2.685	20	30		DFEDHN
Cc1ccsc1CN(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000057158977	399020534	/nfs/dbraw/zinc/02/05/34/399020534.db2.gz	FMNYWKCADCBYNA-OAHLLOKOSA-N	0	3	316.426	2.800	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(OC(F)F)c2)CC1	ZINC000057172610	399021728	/nfs/dbraw/zinc/02/17/28/399021728.db2.gz	KUJVQIVPTVETRF-UHFFFAOYSA-N	0	3	308.328	2.572	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1	ZINC000079201474	399024615	/nfs/dbraw/zinc/02/46/15/399024615.db2.gz	YNJDRJWRSOMKIC-KRWDZBQOSA-N	0	3	317.408	2.595	20	30		DFEDHN
C[C@H]1COC2(CCC2)CN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000595679954	399032069	/nfs/dbraw/zinc/03/20/69/399032069.db2.gz	FQWWZFQKVNBJHB-AWEZNQCLSA-N	0	3	313.401	2.530	20	30		DFEDHN
Cc1csc(C(C#N)=C([O-])c2cnc3n2CCCCC3)n1	ZINC000621705822	399034733	/nfs/dbraw/zinc/03/47/33/399034733.db2.gz	ZAMZMSVYXBHMRA-NSHDSACASA-N	0	3	300.387	2.865	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2cnc3n2CCCCC3)n1	ZINC000621705822	399034737	/nfs/dbraw/zinc/03/47/37/399034737.db2.gz	ZAMZMSVYXBHMRA-NSHDSACASA-N	0	3	300.387	2.865	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cccc(C)c1)C(C)C	ZINC000599627750	399034129	/nfs/dbraw/zinc/03/41/29/399034129.db2.gz	NMNSPVNJUYTJOW-HOCLYGCPSA-N	0	3	317.433	2.682	20	30		DFEDHN
Cc1cc(C(C#N)=C([O-])c2cnc3n2CCCCC3)nc(C)n1	ZINC000621706404	399035267	/nfs/dbraw/zinc/03/52/67/399035267.db2.gz	STFFTHRVOBBPSR-ZDUSSCGKSA-N	0	3	309.373	2.506	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cnc3n2CCCCC3)nc(C)n1	ZINC000621706404	399035274	/nfs/dbraw/zinc/03/52/74/399035274.db2.gz	STFFTHRVOBBPSR-ZDUSSCGKSA-N	0	3	309.373	2.506	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2nc(C)no2)C1	ZINC000091832978	193114497	/nfs/dbraw/zinc/11/44/97/193114497.db2.gz	MTIXHDHHBQAKMH-INIZCTEOSA-N	0	3	311.385	2.770	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@@H](C)C(=O)OC)cc1OC	ZINC000091986231	193137374	/nfs/dbraw/zinc/13/73/74/193137374.db2.gz	DFOCEVGPPMXSGC-CYBMUJFWSA-N	0	3	307.390	2.501	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN[C@H]2CCCC[C@H]2C#N)CC1	ZINC000595695085	399039109	/nfs/dbraw/zinc/03/91/09/399039109.db2.gz	SHNUXPBKOMVBNS-HOTGVXAUSA-N	0	3	305.466	2.943	20	30		DFEDHN
COc1cccc2c1OC[C@@H](NCc1ccc(C#N)c(C)c1)C2	ZINC000618192327	399039549	/nfs/dbraw/zinc/03/95/49/399039549.db2.gz	JAQQXBWUPUSEIE-KRWDZBQOSA-N	0	3	308.381	2.969	20	30		DFEDHN
CCC1(N2CCOCC2)CCN([C@H](C#N)c2ccccc2)CC1	ZINC000599663493	399051755	/nfs/dbraw/zinc/05/17/55/399051755.db2.gz	FNCBEAAWYRETRX-GOSISDBHSA-N	0	3	313.445	2.828	20	30		DFEDHN
C[C@@H]1CCCN1C(=O)CCN1CCc2c(CC#N)cccc2C1	ZINC000599679044	399058907	/nfs/dbraw/zinc/05/89/07/399058907.db2.gz	OEFVLELGUIHVMW-OAHLLOKOSA-N	0	3	311.429	2.512	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000595734017	399062065	/nfs/dbraw/zinc/06/20/65/399062065.db2.gz	SUPODIZNOVLIPK-UHFFFAOYSA-N	0	3	322.408	2.544	20	30		DFEDHN
COC(=O)C1C[C@H](C)N(CCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000599692492	399065588	/nfs/dbraw/zinc/06/55/88/399065588.db2.gz	UHOFLEHDJHKMEG-KBPBESRZSA-N	0	3	300.402	2.763	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC(C)(C)CC(C)(C)C1)C1CC1	ZINC000595752286	399070771	/nfs/dbraw/zinc/07/07/71/399070771.db2.gz	WIUPOBJMCSVLBU-GOSISDBHSA-N	0	3	305.466	2.943	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H](O)COCc3ccccc3)CC2)c1	ZINC000271761857	209192269	/nfs/dbraw/zinc/19/22/69/209192269.db2.gz	HWQYDLBSOSXUCE-LJQANCHMSA-N	0	3	322.408	2.715	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@H]2NCc2cccc(F)c2C#N)cn1	ZINC000595767219	399076642	/nfs/dbraw/zinc/07/66/42/399076642.db2.gz	ANOXLDGYRUETGD-KBXCAEBGSA-N	0	3	312.392	2.932	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccc2OC)CC1	ZINC000092102542	193159473	/nfs/dbraw/zinc/15/94/73/193159473.db2.gz	XZIOKLJLSAEOCF-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
COCCN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1	ZINC000058397643	399081838	/nfs/dbraw/zinc/08/18/38/399081838.db2.gz	ADMKAXUUBQECKI-UHFFFAOYSA-N	0	3	318.417	2.738	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000618351194	399092631	/nfs/dbraw/zinc/09/26/31/399092631.db2.gz	REUUCHYBIUJKDS-QGZVFWFLSA-N	0	3	300.446	2.974	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000338120415	284086554	/nfs/dbraw/zinc/08/65/54/284086554.db2.gz	OLUQEPKGQSNMBS-QGZVFWFLSA-N	0	3	311.429	2.957	20	30		DFEDHN
CCN(C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)C#N	ZINC000595819486	399097796	/nfs/dbraw/zinc/09/77/96/399097796.db2.gz	BPDNNAIFALRGLY-AEFFLSMTSA-N	0	3	301.434	2.511	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCC(c3ccon3)CC2)c1	ZINC000595827725	399100547	/nfs/dbraw/zinc/10/05/47/399100547.db2.gz	GKUVTEKZTOKCMR-UHFFFAOYSA-N	0	3	324.384	2.754	20	30		DFEDHN
CC(C)CC1(N[C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000595829977	399102185	/nfs/dbraw/zinc/10/21/85/399102185.db2.gz	BZNKUBGXKQKKNX-ZDUSSCGKSA-N	0	3	303.431	2.893	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C3CCC3)C2)cc1	ZINC000595830689	399104541	/nfs/dbraw/zinc/10/45/41/399104541.db2.gz	AHIZOIDFMGYZBX-GOSISDBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccnc2OC(C)C)CC1	ZINC000284340553	335011432	/nfs/dbraw/zinc/01/14/32/335011432.db2.gz	RCVVPEOJMCAJRT-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H](C3CCC3)C2)CCCCC1	ZINC000595833744	399105764	/nfs/dbraw/zinc/10/57/64/399105764.db2.gz	LUEDYJATXJLPNQ-INIZCTEOSA-N	0	3	303.450	2.841	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000595845454	399111228	/nfs/dbraw/zinc/11/12/28/399111228.db2.gz	OOTQMBPJIHUCSD-QLFBSQMISA-N	0	3	313.426	2.908	20	30		DFEDHN
CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)CCCCCC#N)C1	ZINC000600662322	399111334	/nfs/dbraw/zinc/11/13/34/399111334.db2.gz	JDUSANZOBRGTQY-IXDOHACOSA-N	0	3	321.465	2.561	20	30		DFEDHN
COc1cc(CNCCOc2ccc(C#N)cc2)cc(OC)c1	ZINC000174559630	399114685	/nfs/dbraw/zinc/11/46/85/399114685.db2.gz	LNLLVVRDOIEQLH-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
C[C@H](Cc1ccc(O)cc1)N(C)Cc1cnc2ccc(C#N)cn12	ZINC000093324687	193232102	/nfs/dbraw/zinc/23/21/02/193232102.db2.gz	ADPVZBPJKMBFLF-CQSZACIVSA-N	0	3	320.396	2.975	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cccc(Cl)c2)CCOCC1	ZINC000600715463	399121653	/nfs/dbraw/zinc/12/16/53/399121653.db2.gz	YTWHJRFNJBHINO-HNNXBMFYSA-N	0	3	308.809	2.501	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(Cl)s2)CCOCC1	ZINC000600715291	399121990	/nfs/dbraw/zinc/12/19/90/399121990.db2.gz	BDOBGJOZVUSNMC-LLVKDONJSA-N	0	3	314.838	2.562	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cc3ccccc3o2)CCOCC1	ZINC000600715104	399122056	/nfs/dbraw/zinc/12/20/56/399122056.db2.gz	DYBGNJDDFOLXDB-OAHLLOKOSA-N	0	3	314.385	2.594	20	30		DFEDHN
C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)o1	ZINC000600717581	399123149	/nfs/dbraw/zinc/12/31/49/399123149.db2.gz	RAPPBTCHZXUUQE-IJEWVQPXSA-N	0	3	318.417	2.564	20	30		DFEDHN
Cc1cc(CNC[C@@H](O)COc2ccccc2C#N)ccc1F	ZINC000600717836	399123001	/nfs/dbraw/zinc/12/30/01/399123001.db2.gz	OFVJLCWXAOMFBT-MRXNPFEDSA-N	0	3	314.360	2.535	20	30		DFEDHN
CO[C@H](CNC[C@@H](O)CC1(C#N)CC1)c1ccccc1Cl	ZINC000600728678	399126599	/nfs/dbraw/zinc/12/65/99/399126599.db2.gz	AZJZBLHWTTZCJR-SWLSCSKDSA-N	0	3	308.809	2.672	20	30		DFEDHN
CC1(C)C[C@@H](NC[C@@H](O)CC2(C#N)CC2)c2ccccc2O1	ZINC000600729115	399127719	/nfs/dbraw/zinc/12/77/19/399127719.db2.gz	DIZNFIDCNSFTND-DZGCQCFKSA-N	0	3	300.402	2.933	20	30		DFEDHN
CO[C@@]1(C)C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093871757	193321059	/nfs/dbraw/zinc/32/10/59/193321059.db2.gz	WMJCDJBUOIFWTM-YJBOKZPZSA-N	0	3	312.417	2.841	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@H](O)COc2ccccc2C#N)c1	ZINC000600745227	399133789	/nfs/dbraw/zinc/13/37/89/399133789.db2.gz	DSLBNPQQAAXFKP-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NC1CCN(CCCOC)CC1	ZINC000180806047	399135409	/nfs/dbraw/zinc/13/54/09/399135409.db2.gz	GULSLYMTBJJJQE-HNNXBMFYSA-N	0	3	311.470	2.531	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccnc(-c3ccccc3)c2)CC1	ZINC000600756954	399136025	/nfs/dbraw/zinc/13/60/25/399136025.db2.gz	IIMJPNBWIZFVOQ-QGZVFWFLSA-N	0	3	307.397	2.893	20	30		DFEDHN
CC(C#N)C(=O)N1CC(Cc2ccccc2Br)C1	ZINC000600755410	399136082	/nfs/dbraw/zinc/13/60/82/399136082.db2.gz	JXPOZJFYPDXODP-JTQLQIEISA-N	0	3	307.191	2.610	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@@H]1CCCc2ccc(Cl)cc21	ZINC000600757853	399136635	/nfs/dbraw/zinc/13/66/35/399136635.db2.gz	AOLVRFIAFWLZOJ-NVXWUHKLSA-N	0	3	321.852	2.513	20	30		DFEDHN
C[C@]1(CN2CCN(c3ccccc3C#N)CC2)CCCS1	ZINC000600113042	399140157	/nfs/dbraw/zinc/14/01/57/399140157.db2.gz	XORGASVEQZXYGZ-QGZVFWFLSA-N	0	3	301.459	2.966	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCC23CC3)cc1	ZINC000600762760	399138917	/nfs/dbraw/zinc/13/89/17/399138917.db2.gz	WOOQGXVUFDNSKQ-OAHLLOKOSA-N	0	3	318.442	2.502	20	30		DFEDHN
CC(C)(C)c1ccc(C2(NCC(=O)NCC#N)CCCC2)cc1	ZINC000181692973	399140760	/nfs/dbraw/zinc/14/07/60/399140760.db2.gz	TYKKICAIJMADJO-UHFFFAOYSA-N	0	3	313.445	2.983	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)C[C@H](N)c2ccccc2)C[C@H]1c1ccccc1	ZINC000595975499	399142856	/nfs/dbraw/zinc/14/28/56/399142856.db2.gz	HXUXUSHHTTWEBP-QYZOEREBSA-N	0	3	319.408	2.842	20	30		DFEDHN
C=CCOCCCNC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000618521675	399144876	/nfs/dbraw/zinc/14/48/76/399144876.db2.gz	YYKLJRFYCWBRHI-UHFFFAOYSA-N	0	3	316.445	2.608	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000607155166	399146078	/nfs/dbraw/zinc/14/60/78/399146078.db2.gz	NURRXMBKAUSSBL-NXHRZFHOSA-N	0	3	322.493	2.937	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)N2CCCC2)cc1	ZINC000182620858	399146903	/nfs/dbraw/zinc/14/69/03/399146903.db2.gz	JLNGLQNZIPRHMM-WBVHZDCISA-N	0	3	314.433	2.591	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C#N)N2CCCC2)cc1	ZINC000182620820	399146932	/nfs/dbraw/zinc/14/69/32/399146932.db2.gz	JLNGLQNZIPRHMM-RDJZCZTQSA-N	0	3	314.433	2.591	20	30		DFEDHN
C=CCN(CCCn1ccnc1)Cc1cccc([N+](=O)[O-])c1	ZINC000182706492	399149512	/nfs/dbraw/zinc/14/95/12/399149512.db2.gz	YFQXINZRSIJAKP-UHFFFAOYSA-N	0	3	300.362	2.870	20	30		DFEDHN
N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](F)[C@H](N)C1	ZINC000596024703	399150029	/nfs/dbraw/zinc/15/00/29/399150029.db2.gz	WPJJNYGAHYORCI-CHWSQXEVSA-N	0	3	304.756	2.635	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2ccccc2C)C2CC2)CC1	ZINC000264897969	204249188	/nfs/dbraw/zinc/24/91/88/204249188.db2.gz	ZRCIPYXHKIBQBG-IBGZPJMESA-N	0	3	310.441	2.908	20	30		DFEDHN
C=CC[NH+](CC=C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C	ZINC000596071533	399163229	/nfs/dbraw/zinc/16/32/29/399163229.db2.gz	QDIONNIVSGSGGU-CQSZACIVSA-N	0	3	320.393	2.806	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614161492	399165545	/nfs/dbraw/zinc/16/55/45/399165545.db2.gz	DYLYBKYPBCNCTK-KRWDZBQOSA-N	0	3	313.445	2.836	20	30		DFEDHN
N#Cc1c(NCCCN2CCC(O)CC2)cccc1C(F)F	ZINC000596085239	399167762	/nfs/dbraw/zinc/16/77/62/399167762.db2.gz	KNHOPOFCGIEQAQ-UHFFFAOYSA-N	0	3	309.360	2.755	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](NCc1ccc(C(C)(C)C#N)cc1)CC2	ZINC000614166841	399168095	/nfs/dbraw/zinc/16/80/95/399168095.db2.gz	ZHSNGQMYSKGATE-MRXNPFEDSA-N	0	3	323.444	2.746	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1CCN(C2CC2)C1	ZINC000596086840	399168437	/nfs/dbraw/zinc/16/84/37/399168437.db2.gz	BQBHKLRDDSRBOJ-CQSZACIVSA-N	0	3	310.376	2.625	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000596086740	399168621	/nfs/dbraw/zinc/16/86/21/399168621.db2.gz	AQWYIIRHLHZOFP-YESZJQIVSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCSC[C@@H]2CCO)cc1	ZINC000614171525	399169220	/nfs/dbraw/zinc/16/92/20/399169220.db2.gz	NLDZPYWTTKQXHL-INIZCTEOSA-N	0	3	304.459	2.788	20	30		DFEDHN
C=CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000284662020	335016282	/nfs/dbraw/zinc/01/62/82/335016282.db2.gz	GDZWBWRPBYTTHX-BZSNNMDCSA-N	0	3	316.445	2.524	20	30		DFEDHN
Cc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ccc1C#N	ZINC000618591491	399173423	/nfs/dbraw/zinc/17/34/23/399173423.db2.gz	ISZSLJOBIXLTCR-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
C=CCNC(=O)CN[C@H](CC)c1ccc(Br)cc1	ZINC000194010746	399178145	/nfs/dbraw/zinc/17/81/45/399178145.db2.gz	LJUIEBDKFASCOH-CYBMUJFWSA-N	0	3	311.223	2.792	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCOCC2(CCCC2)C1	ZINC000614222795	399179915	/nfs/dbraw/zinc/17/99/15/399179915.db2.gz	CCXYLWSIDVOYLS-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
C#CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000271715092	209151229	/nfs/dbraw/zinc/15/12/29/209151229.db2.gz	PCSHWTZWWLQYRQ-AZUAARDMSA-N	0	3	320.392	2.652	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCCC2(CCOCC2)C1	ZINC000266037746	205046422	/nfs/dbraw/zinc/04/64/22/205046422.db2.gz	UZUSHUACEUTNBH-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
CC(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1	ZINC000266188662	205168199	/nfs/dbraw/zinc/16/81/99/205168199.db2.gz	XQSDYAHXPPRNEP-QGZVFWFLSA-N	0	3	320.868	2.896	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1c(C#N)cnn1C	ZINC000596155158	399194332	/nfs/dbraw/zinc/19/43/32/399194332.db2.gz	POXBCXFNPFHWTO-WMLDXEAASA-N	0	3	309.417	2.614	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N(CC=C)CC=C	ZINC000285057680	335019327	/nfs/dbraw/zinc/01/93/27/335019327.db2.gz	JFDMNIKHCRASOH-IEBWSBKVSA-N	0	3	310.441	2.800	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)CC1	ZINC000266452550	205357496	/nfs/dbraw/zinc/35/74/96/205357496.db2.gz	BZRKNCGWVFPPRK-FUHWJXTLSA-N	0	3	313.445	2.567	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1	ZINC000063810359	399209036	/nfs/dbraw/zinc/20/90/36/399209036.db2.gz	NNUWCQJQXXWJAN-ULMZFCMNSA-N	0	3	317.433	2.517	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1	ZINC000081342617	399227909	/nfs/dbraw/zinc/22/79/09/399227909.db2.gz	QRMVKZLYUPIMLB-KRWDZBQOSA-N	0	3	311.360	2.882	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N1CCCCCC1	ZINC000618788908	399236452	/nfs/dbraw/zinc/23/64/52/399236452.db2.gz	CRWUVYHAVQCTDO-KBXCAEBGSA-N	0	3	311.429	2.926	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000267468439	206088398	/nfs/dbraw/zinc/08/83/98/206088398.db2.gz	XABKTSHCWMZVNO-LXZKKBNFSA-N	0	3	315.417	2.536	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C3CC3)n(CC)n2)CC1	ZINC000267484406	206099717	/nfs/dbraw/zinc/09/97/17/206099717.db2.gz	TYWRFUXHQJOMTH-UHFFFAOYSA-N	0	3	317.437	2.552	20	30		DFEDHN
COc1ccccc1C[C@](C)(CO)NCc1cccc(C#N)c1	ZINC000601153572	399242581	/nfs/dbraw/zinc/24/25/81/399242581.db2.gz	QLCBDCCBBADKCD-LJQANCHMSA-N	0	3	310.397	2.650	20	30		DFEDHN
C#CCCOc1ccc(CNCCC(C)(C)C(=O)OC)cc1	ZINC000285391410	335025383	/nfs/dbraw/zinc/02/53/83/335025383.db2.gz	DOFHCZWXPPCHOZ-UHFFFAOYSA-N	0	3	303.402	2.768	20	30		DFEDHN
C=CCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285838875	335029976	/nfs/dbraw/zinc/02/99/76/335029976.db2.gz	APENIHMJANKFLI-HNNXBMFYSA-N	0	3	308.372	2.788	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1	ZINC000601239526	399262693	/nfs/dbraw/zinc/26/26/93/399262693.db2.gz	MJFJELCIRFTCOV-GOEBONIOSA-N	0	3	300.406	2.904	20	30		DFEDHN
COC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCO1	ZINC000618992048	399272540	/nfs/dbraw/zinc/27/25/40/399272540.db2.gz	CQDGWVNYERIIBW-SQNIBIBYSA-N	0	3	300.402	2.719	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OC	ZINC000601549917	399298879	/nfs/dbraw/zinc/29/88/79/399298879.db2.gz	XKULEARYRWMFRP-CQSZACIVSA-N	0	3	319.405	2.834	20	30		DFEDHN
N#CCn1c(C(=O)NC2CCN(C3CC3)CC2)cc2ccccc21	ZINC000609161212	399307314	/nfs/dbraw/zinc/30/73/14/399307314.db2.gz	CSRRWILHTQGFSY-UHFFFAOYSA-N	0	3	322.412	2.521	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)NCc2cccc(C#N)c2)c1	ZINC000042326868	183253886	/nfs/dbraw/zinc/25/38/86/183253886.db2.gz	XEKPAJDKFMCSQA-UHFFFAOYSA-N	0	3	322.412	2.619	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1cc(C)c(C#N)cn1	ZINC000601620089	399309773	/nfs/dbraw/zinc/30/97/73/399309773.db2.gz	GCXAFKHMCGWXIL-UHFFFAOYSA-N	0	3	324.384	2.584	20	30		DFEDHN
CCc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000609287509	399311654	/nfs/dbraw/zinc/31/16/54/399311654.db2.gz	KFZDZCCNHADEDS-UHFFFAOYSA-N	0	3	321.428	2.623	20	30		DFEDHN
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CC#N	ZINC000609413268	399317605	/nfs/dbraw/zinc/31/76/05/399317605.db2.gz	QWDJPGHARAVRQJ-OAHLLOKOSA-N	0	3	315.417	2.535	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000609343103	399314910	/nfs/dbraw/zinc/31/49/10/399314910.db2.gz	OIRJJOIEMKXQJB-WMLDXEAASA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000183698972	335038034	/nfs/dbraw/zinc/03/80/34/335038034.db2.gz	NWNVQTAANXHTNP-UHFFFAOYSA-N	0	3	320.433	2.801	20	30		DFEDHN
CN(C)[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)c1ccccc1	ZINC000601737230	399329597	/nfs/dbraw/zinc/32/95/97/399329597.db2.gz	LXGNFDBFLQKXOJ-HNNXBMFYSA-N	0	3	323.400	2.790	20	30		DFEDHN
CN1CCC(n2cc(NC(=O)CCCCCC#N)cn2)CC1	ZINC000601778622	399334458	/nfs/dbraw/zinc/33/44/58/399334458.db2.gz	OFZOSCMOPMTFGI-UHFFFAOYSA-N	0	3	303.410	2.562	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000287261316	335042603	/nfs/dbraw/zinc/04/26/03/335042603.db2.gz	QBVBIXGGPPPTOF-GJZGRUSLSA-N	0	3	323.396	2.662	20	30		DFEDHN
C[C@@H](O)CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1	ZINC000104684476	194026272	/nfs/dbraw/zinc/02/62/72/194026272.db2.gz	YXARKDKLBUSCTM-CQSZACIVSA-N	0	3	315.417	2.512	20	30		DFEDHN
N#Cc1cccc(OC2CCN(C[C@@H]3CCCCO3)CC2)c1	ZINC000104715487	194030297	/nfs/dbraw/zinc/03/02/97/194030297.db2.gz	LQHDIRDAWBXUMJ-SFHVURJKSA-N	0	3	300.402	2.971	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610177367	399345586	/nfs/dbraw/zinc/34/55/86/399345586.db2.gz	GZYAMSICVJXDGJ-HOCLYGCPSA-N	0	3	324.428	2.577	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](N2CC=CC2)C1	ZINC000610281817	399353446	/nfs/dbraw/zinc/35/34/46/399353446.db2.gz	KKCOJUDCGRYMLU-MRXNPFEDSA-N	0	3	304.397	2.865	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000601953237	399367993	/nfs/dbraw/zinc/36/79/93/399367993.db2.gz	DPEXTZFREPGZSK-RTBURBONSA-N	0	3	316.445	2.682	20	30		DFEDHN
Cn1ccnc1CC1CCN(CCOc2ccccc2C#N)CC1	ZINC000105876711	194154674	/nfs/dbraw/zinc/15/46/74/194154674.db2.gz	AUXJXJGIYXKVQQ-UHFFFAOYSA-N	0	3	324.428	2.625	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cc1cccc(C#N)c1	ZINC000610578137	399382297	/nfs/dbraw/zinc/38/22/97/399382297.db2.gz	QIRHPSPBBWHSGH-MSOLQXFVSA-N	0	3	311.429	2.576	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)Cc1cc(Br)cn1C	ZINC000268488567	206749636	/nfs/dbraw/zinc/74/96/36/206749636.db2.gz	QSUDEIWFHITNDB-CYBMUJFWSA-N	0	3	301.228	2.547	20	30		DFEDHN
C=CCSCCNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1CC	ZINC000610586055	399383886	/nfs/dbraw/zinc/38/38/86/399383886.db2.gz	JPNULQKHSSXSFN-GJZGRUSLSA-N	0	3	311.495	2.564	20	30		DFEDHN
CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CCN(C)CC1	ZINC000285181295	218322092	/nfs/dbraw/zinc/32/20/92/218322092.db2.gz	QIVSNCJTBDQQTH-UHFFFAOYSA-N	0	3	317.408	2.528	20	30		DFEDHN
CCC[C@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCOC1	ZINC000285363437	218398590	/nfs/dbraw/zinc/39/85/90/218398590.db2.gz	ANAGFYQHTJNPJM-INIZCTEOSA-N	0	3	321.808	2.699	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1cccc(C#N)c1	ZINC000610659064	399389719	/nfs/dbraw/zinc/38/97/19/399389719.db2.gz	RFVNOVLQFPVLLV-JKIFEVAISA-N	0	3	314.433	2.601	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H]2C=C[C@H](CO)C2)cc1OC	ZINC000623452056	399393694	/nfs/dbraw/zinc/39/36/94/399393694.db2.gz	VMAHMBCQCMTVOC-GXTWGEPZSA-N	0	3	323.820	2.940	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000610718352	399397535	/nfs/dbraw/zinc/39/75/35/399397535.db2.gz	ZOSSWYGEWOKIQI-AWEZNQCLSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(-n2cnnn2)c1	ZINC000610829887	399410500	/nfs/dbraw/zinc/41/05/00/399410500.db2.gz	RBYTUSXRWZREOZ-UONOGXRCSA-N	0	3	318.384	2.946	20	30		DFEDHN
CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccnc(C#N)c1	ZINC000610994875	399427055	/nfs/dbraw/zinc/42/70/55/399427055.db2.gz	XLPSYRRNJCNEDL-LJQANCHMSA-N	0	3	309.413	2.972	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)[nH]1	ZINC000611030209	399429268	/nfs/dbraw/zinc/42/92/68/399429268.db2.gz	FVWRDFIYVSPBJI-SFHVURJKSA-N	0	3	322.412	2.843	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(C#N)cc2F)C[C@@H](C)O1	ZINC000269043003	207191450	/nfs/dbraw/zinc/19/14/50/207191450.db2.gz	NCVPGRAVCLMCJO-ZIAGYGMSSA-N	0	3	305.397	2.999	20	30		DFEDHN
CC(C)N(CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1	ZINC000611170314	399441212	/nfs/dbraw/zinc/44/12/12/399441212.db2.gz	HTYVLGDURLAENQ-KRWDZBQOSA-N	0	3	320.458	2.593	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000602439623	399444144	/nfs/dbraw/zinc/44/41/44/399444144.db2.gz	GMCZSPOFZDDMJF-HNNXBMFYSA-N	0	3	317.408	2.913	20	30		DFEDHN
CCOc1cccc(N2CCN(C[C@@H](C)CCC#N)CC2)n1	ZINC000602452033	399447577	/nfs/dbraw/zinc/44/75/77/399447577.db2.gz	HCWQDCUBFDDUIM-HNNXBMFYSA-N	0	3	302.422	2.542	20	30		DFEDHN
Cc1cccc(NC[C@@H]2CCN(Cc3cccc(C#N)n3)C2)n1	ZINC000602456930	399449785	/nfs/dbraw/zinc/44/97/85/399449785.db2.gz	CROJLQLVVYSJNE-HNNXBMFYSA-N	0	3	307.401	2.591	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCN(Cc3cccc(C#N)n3)C2)c1	ZINC000602459190	399450485	/nfs/dbraw/zinc/45/04/85/399450485.db2.gz	QRDIMWOEJGJVBF-HNNXBMFYSA-N	0	3	307.401	2.591	20	30		DFEDHN
CN1CCCC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000611247145	399450942	/nfs/dbraw/zinc/45/09/42/399450942.db2.gz	NKPFVEQYDVASBA-GOSISDBHSA-N	0	3	309.413	2.658	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCCN(C(=O)c2ccccc2F)CC1	ZINC000602442757	399445248	/nfs/dbraw/zinc/44/52/48/399445248.db2.gz	XKNUEDXRWYUZED-HNNXBMFYSA-N	0	3	317.408	2.913	20	30		DFEDHN
C[C@@H](N(Cc1ccc(C#N)cc1)C1CC1)C(C)(C)n1cncn1	ZINC000602442104	399445510	/nfs/dbraw/zinc/44/55/10/399445510.db2.gz	UVLHUTWGBHEGEC-CQSZACIVSA-N	0	3	309.417	2.938	20	30		DFEDHN
N#CCCn1cc(CN(CCCO)C2CC2)c(-c2ccccc2)n1	ZINC000611271625	399455270	/nfs/dbraw/zinc/45/52/70/399455270.db2.gz	WNMAHQCNTCYUMM-UHFFFAOYSA-N	0	3	324.428	2.811	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1cccc2c1OCO2	ZINC000602517964	399466509	/nfs/dbraw/zinc/46/65/09/399466509.db2.gz	IJJJCJAGCGNILV-CYBMUJFWSA-N	0	3	302.374	2.604	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CC(F)F	ZINC000602526718	399467746	/nfs/dbraw/zinc/46/77/46/399467746.db2.gz	FSABJBRNPMAWHA-AWEZNQCLSA-N	0	3	309.360	2.525	20	30		DFEDHN
CC(C)(NC(=O)[C@H](N)CCCC#N)c1nc2ccccc2s1	ZINC000602525524	399467778	/nfs/dbraw/zinc/46/77/78/399467778.db2.gz	FFVOXFYQJBPZTP-LLVKDONJSA-N	0	3	316.430	2.669	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000611388728	399469063	/nfs/dbraw/zinc/46/90/63/399469063.db2.gz	SCOJRRGXNBNNPY-DNVCBOLYSA-N	0	3	310.397	2.787	20	30		DFEDHN
CC[C@@H](CCc1ccccc1)NC(=O)[C@H](N)CCCCC#N	ZINC000602533732	399469183	/nfs/dbraw/zinc/46/91/83/399469183.db2.gz	AZSGMVIQZDCVOH-DLBZAZTESA-N	0	3	301.434	2.925	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394696	399470412	/nfs/dbraw/zinc/47/04/12/399470412.db2.gz	WQAXDWHBURUCOK-VFAJRCTISA-N	0	3	309.413	2.535	20	30		DFEDHN
CCn1nc(C)c(CN[C@@H](C)CC2(C#N)CCOCC2)c1C	ZINC000602534930	399470036	/nfs/dbraw/zinc/47/00/36/399470036.db2.gz	VWSAFLPKNXWTKE-ZDUSSCGKSA-N	0	3	304.438	2.708	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000602556893	399474658	/nfs/dbraw/zinc/47/46/58/399474658.db2.gz	XFGMLHBWTROMAL-WFASDCNBSA-N	0	3	305.809	2.975	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(C#N)cc1	ZINC000602560278	399475917	/nfs/dbraw/zinc/47/59/17/399475917.db2.gz	ZDEYMONZWPPJDU-HNNXBMFYSA-N	0	3	313.401	2.626	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F	ZINC000602566538	399477876	/nfs/dbraw/zinc/47/78/76/399477876.db2.gz	FSGCQXTXBLXMRB-CQSZACIVSA-N	0	3	307.369	2.964	20	30		DFEDHN
N#Cc1ccc(OC2CCC(NCc3ccns3)CC2)nc1	ZINC000602575775	399480187	/nfs/dbraw/zinc/48/01/87/399480187.db2.gz	KADAKDNYNSPLAK-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)COC2	ZINC000602576772	399480785	/nfs/dbraw/zinc/48/07/85/399480785.db2.gz	PBNNQGXBHTZNSI-AWEZNQCLSA-N	0	3	300.402	2.905	20	30		DFEDHN
CCOc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCC#N)cc1	ZINC000602578601	399481651	/nfs/dbraw/zinc/48/16/51/399481651.db2.gz	OHSVHQKOJQOQSR-QGZVFWFLSA-N	0	3	315.417	2.849	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CN(C)Cc2ccccc21	ZINC000602582316	399482550	/nfs/dbraw/zinc/48/25/50/399482550.db2.gz	WAFSQHAQJWZDGG-YJBOKZPZSA-N	0	3	313.445	2.862	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1N(C)C	ZINC000602591338	399485858	/nfs/dbraw/zinc/48/58/58/399485858.db2.gz	ACKTUYQKTRAQTK-OAHLLOKOSA-N	0	3	301.434	2.941	20	30		DFEDHN
CC(C)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000602596910	399486484	/nfs/dbraw/zinc/48/64/84/399486484.db2.gz	GHCQXYOGDXMZGS-SJLPKXTDSA-N	0	3	301.434	2.781	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc(C#N)c1	ZINC000611580527	399496320	/nfs/dbraw/zinc/49/63/20/399496320.db2.gz	XFVPOJLUZAYKRA-KBPBESRZSA-N	0	3	312.417	2.569	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F	ZINC000611587540	399497727	/nfs/dbraw/zinc/49/77/27/399497727.db2.gz	HPDFEBAIPSFRGV-DWQUBVKVSA-N	0	3	317.408	2.995	20	30		DFEDHN
COC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)[nH]c1C	ZINC000602641936	399500031	/nfs/dbraw/zinc/50/00/31/399500031.db2.gz	VVBJHWDUTKUJMS-KRWDZBQOSA-N	0	3	309.369	2.759	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000602645056	399500905	/nfs/dbraw/zinc/50/09/05/399500905.db2.gz	GJFXOJFSIAIPCA-BDJLRTHQSA-N	0	3	317.345	2.807	20	30		DFEDHN
Cn1ccnc1[C@@H](NC1CCC(C#N)CC1)C1CCOCC1	ZINC000602650741	399502949	/nfs/dbraw/zinc/50/29/49/399502949.db2.gz	PZOBFTPOXYNRDK-BCLQGDPASA-N	0	3	302.422	2.560	20	30		DFEDHN
COc1cccc(C)c1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000602672593	399514485	/nfs/dbraw/zinc/51/44/85/399514485.db2.gz	QSRNEGCYUQWOBX-MRXNPFEDSA-N	0	3	323.396	2.924	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1	ZINC000119914289	195061092	/nfs/dbraw/zinc/06/10/92/195061092.db2.gz	SULJXLUQGOVOKQ-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#Cc1cccc(CNC2(Cc3ccccc3)CCOCC2)n1	ZINC000602683361	399519651	/nfs/dbraw/zinc/51/96/51/399519651.db2.gz	YEOYAKLZHXMGQY-UHFFFAOYSA-N	0	3	307.397	2.835	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)OCC	ZINC000270018750	208073107	/nfs/dbraw/zinc/07/31/07/208073107.db2.gz	IGLBTOAJBQJGRO-QGZVFWFLSA-N	0	3	320.433	2.937	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NCc1ccccc1CN(C)C)OCC	ZINC000270023449	208078107	/nfs/dbraw/zinc/07/81/07/208078107.db2.gz	BLXLRYWVKBMEGM-QGZVFWFLSA-N	0	3	304.434	2.736	20	30		DFEDHN
C[C@H](CCC#N)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000602706829	399531104	/nfs/dbraw/zinc/53/11/04/399531104.db2.gz	MRQVYOCTUFCTCL-QRQLOZEOSA-N	0	3	313.445	2.511	20	30		DFEDHN
CO[C@@H](CN1CCc2c(CC#N)cccc2C1)C1CCOCC1	ZINC000602728534	399543413	/nfs/dbraw/zinc/54/34/13/399543413.db2.gz	AGWCKTZSDBXZNJ-IBGZPJMESA-N	0	3	314.429	2.552	20	30		DFEDHN
COC(=O)c1cc(C2CCN(CC(C)(C)CCC#N)CC2)no1	ZINC000602749484	399554551	/nfs/dbraw/zinc/55/45/51/399554551.db2.gz	YPWPJNMDNFCPRM-UHFFFAOYSA-N	0	3	319.405	2.971	20	30		DFEDHN
COc1cc2c(cc1OC)CCN(CC1(CC#N)CC1)CC2	ZINC000602761811	399559651	/nfs/dbraw/zinc/55/96/51/399559651.db2.gz	AJFDRPYVRPOLBF-UHFFFAOYSA-N	0	3	300.402	2.798	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2cc(C)n[nH]2)CC1	ZINC000272924757	210311616	/nfs/dbraw/zinc/31/16/16/210311616.db2.gz	JHOFBLKOIYSIJB-HNNXBMFYSA-N	0	3	318.465	2.711	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000617017094	399576575	/nfs/dbraw/zinc/57/65/75/399576575.db2.gz	RPRMBAZAYBLXOL-AWEZNQCLSA-N	0	3	302.418	2.854	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@](C)(C#N)C1	ZINC000612122153	399587103	/nfs/dbraw/zinc/58/71/03/399587103.db2.gz	DBMLCXKHCIUQTH-HLLBOEOZSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN(CCO)[C@H]2CCc3ccccc32)cc1	ZINC000156648585	197130549	/nfs/dbraw/zinc/13/05/49/197130549.db2.gz	KCFCFVASLGFZDD-PMACEKPBSA-N	0	3	322.408	2.573	20	30		DFEDHN
Cn1cc([C@@H]2CCN(CCCOc3cccc(C#N)c3)C2)cn1	ZINC000156421385	197111952	/nfs/dbraw/zinc/11/19/52/197111952.db2.gz	QYYLLUPVEFUARO-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC(C)[C@@H](CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000156358909	197107300	/nfs/dbraw/zinc/10/73/00/197107300.db2.gz	CLSRGYDMSHRGBT-CQSZACIVSA-N	0	3	301.308	2.543	20	30		DFEDHN
COc1ccc(CN2CCCN(c3ccncc3)CC2)cc1C#N	ZINC000602846411	399599914	/nfs/dbraw/zinc/59/99/14/399599914.db2.gz	PSBUDFWHSDTVLN-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
C[C@H]1CN(CCCOCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602853112	399603610	/nfs/dbraw/zinc/60/36/10/399603610.db2.gz	GYOVSLHJTRCUQP-IRXDYDNUSA-N	0	3	301.434	2.511	20	30		DFEDHN
C[C@H]1CN(CCCOc2ccc(F)cc2)C[C@H](C)N1CC#N	ZINC000602857198	399605105	/nfs/dbraw/zinc/60/51/05/399605105.db2.gz	PIQNDGZFVJZULA-GJZGRUSLSA-N	0	3	305.397	2.513	20	30		DFEDHN
CC(C)c1nnc(CC2CCN(C[C@@H](C#N)CCC#N)CC2)[nH]1	ZINC000602859643	399606015	/nfs/dbraw/zinc/60/60/15/399606015.db2.gz	DSUGMGJOLWAOLJ-OAHLLOKOSA-N	0	3	314.437	2.626	20	30		DFEDHN
C=CC[C@@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000625700120	399615417	/nfs/dbraw/zinc/61/54/17/399615417.db2.gz	HTZGBRLVWNTOPB-OAHLLOKOSA-N	0	3	323.458	2.757	20	30		DFEDHN
O[C@@]1(C2CC2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000370079645	335053763	/nfs/dbraw/zinc/05/37/63/335053763.db2.gz	ABVBUBGDFPZNSL-INIZCTEOSA-N	0	3	309.331	2.904	20	30		DFEDHN
Cc1noc(C)c1CCN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602906984	399621868	/nfs/dbraw/zinc/62/18/68/399621868.db2.gz	KEGXLUILEIFDLL-UHFFFAOYSA-N	0	3	310.401	2.980	20	30		DFEDHN
CN(C)C[C@@H]1COC2(CCCC2)CN1CCCC(C)(C)C#N	ZINC000602912262	399623103	/nfs/dbraw/zinc/62/31/03/399623103.db2.gz	HCZBOPCWQYWYSV-MRXNPFEDSA-N	0	3	307.482	2.892	20	30		DFEDHN
COCc1ncc2c(n1)CCN(CCCCC(C)(C)C#N)C2	ZINC000602923766	399629603	/nfs/dbraw/zinc/62/96/03/399629603.db2.gz	DYZZDXJEKNZHJG-UHFFFAOYSA-N	0	3	302.422	2.701	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1	ZINC000288585740	335056981	/nfs/dbraw/zinc/05/69/81/335056981.db2.gz	ODEKGTPLFHINAW-MJGOQNOKSA-N	0	3	311.381	2.836	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C	ZINC000620912718	399631034	/nfs/dbraw/zinc/63/10/34/399631034.db2.gz	RGJLGHVFQIFEON-JKSUJKDBSA-N	0	3	308.466	2.691	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289949614	221335901	/nfs/dbraw/zinc/33/59/01/221335901.db2.gz	WIVBOXPSDYBRTQ-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603074288	399673304	/nfs/dbraw/zinc/67/33/04/399673304.db2.gz	AEQWDMAETYMYHS-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccco1	ZINC000603043674	399664704	/nfs/dbraw/zinc/66/47/04/399664704.db2.gz	NDPFQOSQZRMMRQ-ZIAGYGMSSA-N	0	3	315.417	2.909	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603072767	399673022	/nfs/dbraw/zinc/67/30/22/399673022.db2.gz	KXTQZGMNJUOCJG-HNNXBMFYSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1	ZINC000625896969	399679045	/nfs/dbraw/zinc/67/90/45/399679045.db2.gz	JWLVZXDOUVZADQ-GFCCVEGCSA-N	0	3	303.381	2.901	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1)OCCNC2	ZINC000625940784	399693563	/nfs/dbraw/zinc/69/35/63/399693563.db2.gz	YEOMLTSSVDRGKU-UHFFFAOYSA-N	0	3	303.406	2.892	20	30		DFEDHN
O=C(Nc1nc[n-]n1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000328605013	257265092	/nfs/dbraw/zinc/26/50/92/257265092.db2.gz	LXXDZELTNNBDOD-RHSMWYFYSA-N	0	3	311.389	2.695	20	30		DFEDHN
O=C(Nc1nc[n-]n1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000328605013	257265094	/nfs/dbraw/zinc/26/50/94/257265094.db2.gz	LXXDZELTNNBDOD-RHSMWYFYSA-N	0	3	311.389	2.695	20	30		DFEDHN
CC(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603251406	399723603	/nfs/dbraw/zinc/72/36/03/399723603.db2.gz	PJUZQFHUSAESQP-CQSZACIVSA-N	0	3	323.322	2.873	20	30		DFEDHN
C#C[C@@H](C)N[C@H](C)CC(=O)Nc1cccc(Br)c1	ZINC000289655421	335062346	/nfs/dbraw/zinc/06/23/46/335062346.db2.gz	YIEDGVFWTOQOHC-GHMZBOCLSA-N	0	3	309.207	2.778	20	30		DFEDHN
CCC(CC)(CNCc1ccc(C#N)cc1OC)C(=O)OC	ZINC000121575382	195308970	/nfs/dbraw/zinc/30/89/70/195308970.db2.gz	KJSIEZOFMBYHHF-UHFFFAOYSA-N	0	3	304.390	2.636	20	30		DFEDHN
CCC[C@H]1CN(Cc2cc(F)ccc2C#N)CCN1CCOC	ZINC000121665575	195326684	/nfs/dbraw/zinc/32/66/84/195326684.db2.gz	VCBSVFREOABOGO-SFHVURJKSA-N	0	3	319.424	2.630	20	30		DFEDHN
C#Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1	ZINC000289361221	335062812	/nfs/dbraw/zinc/06/28/12/335062812.db2.gz	YRKZMGXZPLSJLU-UHFFFAOYSA-N	0	3	306.409	2.794	20	30		DFEDHN
CN(CCCNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000123155588	195550148	/nfs/dbraw/zinc/55/01/48/195550148.db2.gz	ZUTQGCXOFFBXKK-UHFFFAOYSA-N	0	3	319.412	2.822	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1Nc1cc(C#N)c(Br)cn1	ZINC000603308304	399739230	/nfs/dbraw/zinc/73/92/30/399739230.db2.gz	GRPYZJKDNOXXBG-NOZJJQNGSA-N	0	3	321.222	2.610	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000272532528	130039649	/nfs/dbraw/zinc/03/96/49/130039649.db2.gz	FWULXKBZCHZNQT-LBPRGKRZSA-N	0	3	318.396	2.891	20	30		DFEDHN
N#CC(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2[nH]1	ZINC000125576804	542601859	/nfs/dbraw/zinc/60/18/59/542601859.db2.gz	KGSIQAZVBDFNJM-NSHDSACASA-N	0	3	305.341	2.586	20	30		DFEDHN
C=CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000617618664	399756665	/nfs/dbraw/zinc/75/66/65/399756665.db2.gz	ZBEHICZSGOQMKD-OAHLLOKOSA-N	0	3	308.372	2.836	20	30		DFEDHN
C/C=C/C[C@@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000603438031	399776547	/nfs/dbraw/zinc/77/65/47/399776547.db2.gz	WBJZNQNVOGKWMA-DCKQQPRJSA-N	0	3	324.428	2.880	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)Cc1ccc(F)cc1Br	ZINC000289738762	335066406	/nfs/dbraw/zinc/06/64/06/335066406.db2.gz	GRRYHEBHWNJPCH-SKDRFNHKSA-N	0	3	302.187	2.656	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)CC1	ZINC000613165995	399809574	/nfs/dbraw/zinc/80/95/74/399809574.db2.gz	SYALUXXWOXDGOX-MNAZLIDISA-N	0	3	318.465	2.585	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CF)c2ccc(F)cc2)CC1	ZINC000633038818	399829016	/nfs/dbraw/zinc/82/90/16/399829016.db2.gz	ALQAAWOPVIDWRN-INIZCTEOSA-N	0	3	323.387	2.786	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CC)[C@@H]2CCN(CC)C2)cc1	ZINC000617924068	399832913	/nfs/dbraw/zinc/83/29/13/399832913.db2.gz	MTUMBWQTNRYBSR-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
C#Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292718815	543016806	/nfs/dbraw/zinc/01/68/06/543016806.db2.gz	FBDWEJMRUQAQTC-SFHVURJKSA-N	0	3	303.365	2.588	20	30		DFEDHN
Cc1cc2c[nH]nc2c(C(=O)NCCN2CCC[C@H](C)C2)c1	ZINC000328697430	543096907	/nfs/dbraw/zinc/09/69/07/543096907.db2.gz	LISBAMLILFUEEN-LBPRGKRZSA-N	0	3	300.406	2.908	20	30		DFEDHN
C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000052160050	425884229	/nfs/dbraw/zinc/88/42/29/425884229.db2.gz	IUASXBRETLKARS-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
C=CCOCCNC[C@@H](O)COc1cc(Cl)ccc1Cl	ZINC000383609073	543298775	/nfs/dbraw/zinc/29/87/75/543298775.db2.gz	RJDMPIHCKGMHTM-GFCCVEGCSA-N	0	3	320.216	2.525	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc3cccc(O)c32)CC1	ZINC000630942700	399951230	/nfs/dbraw/zinc/95/12/30/399951230.db2.gz	MAFHFGLOMIEKRH-UHFFFAOYSA-N	0	3	310.397	2.926	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)[C@@H](C)C2)CC1	ZINC000633637679	399928585	/nfs/dbraw/zinc/92/85/85/399928585.db2.gz	UAUKAILQTYLCHA-ZDUSSCGKSA-N	0	3	315.408	2.714	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCOCC1	ZINC000628543725	400039390	/nfs/dbraw/zinc/03/93/90/400039390.db2.gz	JQYWQUFNDOWLIW-QGZVFWFLSA-N	0	3	320.477	2.883	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCOCC1	ZINC000628543721	400039413	/nfs/dbraw/zinc/03/94/13/400039413.db2.gz	JQYWQUFNDOWLIW-KRWDZBQOSA-N	0	3	320.477	2.883	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@H]1CCN1C1CCCCC1)OCC	ZINC000628544427	400039538	/nfs/dbraw/zinc/03/95/38/400039538.db2.gz	NAQLRCKYCIBBQC-IAGOWNOFSA-N	0	3	308.466	2.881	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCCN1C	ZINC000354615647	147091441	/nfs/dbraw/zinc/09/14/41/147091441.db2.gz	QJDFHINJRZGPTF-WBMJQRKESA-N	0	3	317.408	2.574	20	30		DFEDHN
CCN1C[C@H](C)N(c2cc(C#N)c(Br)cn2)C[C@H]1C	ZINC000603334156	543471645	/nfs/dbraw/zinc/47/16/45/543471645.db2.gz	QIPYDZJVRDZYBA-MNOVXSKESA-N	0	3	323.238	2.635	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)[nH]1)N(C)C	ZINC000357869730	148156542	/nfs/dbraw/zinc/15/65/42/148156542.db2.gz	MRNIMRVNDSLNPD-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccnc(C#N)c1)N(C)C	ZINC000357869287	148156559	/nfs/dbraw/zinc/15/65/59/148156559.db2.gz	MCMWXZBLXIJEEU-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000359824905	148761706	/nfs/dbraw/zinc/76/17/06/148761706.db2.gz	ZQVWVHWBHJKYLJ-CQSZACIVSA-N	0	3	317.389	2.792	20	30		DFEDHN
N#Cc1csc(CNc2cccc(CN3CC[C@@H](O)C3)c2)c1	ZINC000361065111	149021298	/nfs/dbraw/zinc/02/12/98/149021298.db2.gz	IEXVOLYGXNJPAJ-MRXNPFEDSA-N	0	3	313.426	2.798	20	30		DFEDHN
N#Cc1cccc(CNc2cccc(CN3CC[C@H](O)C3)c2)c1	ZINC000361078853	149023784	/nfs/dbraw/zinc/02/37/84/149023784.db2.gz	JPEJDZMXPIMQKU-IBGZPJMESA-N	0	3	307.397	2.737	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@H](C)c1cncc(F)c1	ZINC000361129754	149035278	/nfs/dbraw/zinc/03/52/78/149035278.db2.gz	FCNYPFIFRIVXPA-GFCCVEGCSA-N	0	3	315.348	2.831	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1C#N	ZINC000372785818	150185230	/nfs/dbraw/zinc/18/52/30/150185230.db2.gz	QCFGNUNCYOWZBU-CQSZACIVSA-N	0	3	316.355	2.543	20	30		DFEDHN
Cn1ccnc1[C@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000373107775	150232602	/nfs/dbraw/zinc/23/26/02/150232602.db2.gz	WQVGSAAWTJLQTE-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@]3(CCCCO3)C2)c1	ZINC000373180023	150242852	/nfs/dbraw/zinc/24/28/52/150242852.db2.gz	NDFLSWHICKXCNF-GOSISDBHSA-N	0	3	300.402	2.972	20	30		DFEDHN
CC(C)(C)OC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000374299777	150338963	/nfs/dbraw/zinc/33/89/63/150338963.db2.gz	CGTDWKQYCXFSHB-SFHVURJKSA-N	0	3	314.429	2.823	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1cccc(C#N)c1)[C@H]1COc2ccccc21	ZINC000185619279	158066164	/nfs/dbraw/zinc/06/61/64/158066164.db2.gz	XIDGPEKCFWONKE-CXAGYDPISA-N	0	3	321.380	2.651	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000246339403	158086641	/nfs/dbraw/zinc/08/66/41/158086641.db2.gz	UJNIAJUVXJJERH-FUHWJXTLSA-N	0	3	309.413	2.534	20	30		DFEDHN
C[C@H]1CCN(CCOc2ccccc2C#N)C[C@H]1n1ccnc1	ZINC000247301095	158128186	/nfs/dbraw/zinc/12/81/86/158128186.db2.gz	OZHJTAGDMIUYBV-DOTOQJQBSA-N	0	3	310.401	2.717	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)C1	ZINC000248854051	158204490	/nfs/dbraw/zinc/20/44/90/158204490.db2.gz	KGZRPJLFCCLZMW-ZIAGYGMSSA-N	0	3	300.406	2.800	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NCc2ccc(C#N)o2)CC1	ZINC000131087986	196138285	/nfs/dbraw/zinc/13/82/85/196138285.db2.gz	JKOHZLUJAQGMTO-CQSZACIVSA-N	0	3	310.401	2.861	20	30		DFEDHN
N#Cc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)s1	ZINC000131582719	196181875	/nfs/dbraw/zinc/18/18/75/196181875.db2.gz	VVYXBWXATADLSQ-JJRVBVJISA-N	0	3	301.459	2.926	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000290360814	335072756	/nfs/dbraw/zinc/07/27/56/335072756.db2.gz	QSBBVPVBSQLHEZ-QMIHWGKISA-N	0	3	323.392	2.844	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)Nc1cnc2c(c1)CNCC2	ZINC000667790772	543680234	/nfs/dbraw/zinc/68/02/34/543680234.db2.gz	AQXDBYPCLDYXNU-UHFFFAOYSA-N	0	3	322.412	2.947	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1OC	ZINC000668555306	543826211	/nfs/dbraw/zinc/82/62/11/543826211.db2.gz	VYORNMBFMOPNBK-ZIAGYGMSSA-N	0	3	305.418	2.709	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H]3COC[C@H]3C2)cc(OC)c1O	ZINC000668706458	543850359	/nfs/dbraw/zinc/85/03/59/543850359.db2.gz	SLNFUFAAKBAKRB-JKSUJKDBSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(CO)cc1)C(C)C	ZINC000668682959	543844847	/nfs/dbraw/zinc/84/48/47/543844847.db2.gz	QCAHPWWXJDMMTB-GOSISDBHSA-N	0	3	316.445	2.607	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1conc1CC)C(C)C	ZINC000668682731	543845021	/nfs/dbraw/zinc/84/50/21/543845021.db2.gz	NIKRFUUOWCYCDZ-INIZCTEOSA-N	0	3	305.422	2.665	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1OC	ZINC000668741037	543859519	/nfs/dbraw/zinc/85/95/19/543859519.db2.gz	ZMXGJBRLCFFUBI-KDOFPFPSSA-N	0	3	305.418	2.710	20	30		DFEDHN
C=C(C)COc1cc(CN(C)C2(CO)CCC2)ccc1OC	ZINC000668801974	543871309	/nfs/dbraw/zinc/87/13/09/543871309.db2.gz	CBOQHZJVBJSAGG-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCCOCC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000669622369	543976594	/nfs/dbraw/zinc/97/65/94/543976594.db2.gz	PYRSTALTBZDKTD-UHFFFAOYSA-N	0	3	308.466	2.742	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H]([C@@H]2CNC(=O)C2)C1	ZINC000671444624	544072994	/nfs/dbraw/zinc/07/29/94/544072994.db2.gz	ZJDCUZIMBFNNRK-WBVHZDCISA-N	0	3	314.429	2.600	20	30		DFEDHN
O=C1C[C@H]([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)CN1	ZINC000671453264	544074649	/nfs/dbraw/zinc/07/46/49/544074649.db2.gz	KULHLCVCYXUQTR-CVEARBPZSA-N	0	3	316.832	2.540	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C)C(C)(C)n2cncn2)cc1	ZINC000290640975	335074005	/nfs/dbraw/zinc/07/40/05/335074005.db2.gz	JMNATJQTXJZTCT-AWEZNQCLSA-N	0	3	300.406	2.756	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)OCC	ZINC000290611843	335076269	/nfs/dbraw/zinc/07/62/69/335076269.db2.gz	RUEMPMKLQTTYCF-IAGOWNOFSA-N	0	3	322.424	2.916	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2cccnc2C#N)cc1	ZINC000290673768	221834065	/nfs/dbraw/zinc/83/40/65/221834065.db2.gz	RNJWKPJGYKITTI-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1	ZINC000194773324	335081733	/nfs/dbraw/zinc/08/17/33/335081733.db2.gz	MQDMOBDVLQQIKO-WCVJEAGWSA-N	0	3	302.422	2.795	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1	ZINC000194773292	335081802	/nfs/dbraw/zinc/08/18/02/335081802.db2.gz	MQDMOBDVLQQIKO-FZKCQIBNSA-N	0	3	302.422	2.795	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2ccncc2)CC1	ZINC000674154532	544223431	/nfs/dbraw/zinc/22/34/31/544223431.db2.gz	PCWFFAOWJZXHAB-HNNXBMFYSA-N	0	3	316.449	2.525	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000674306973	544230612	/nfs/dbraw/zinc/23/06/12/544230612.db2.gz	CWDBDEVNXIIZDE-WMZOPIPTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CN(CC)C[C@H]2C)c1	ZINC000674848671	544269843	/nfs/dbraw/zinc/26/98/43/544269843.db2.gz	GDGJIOIBBPYDCO-CZUORRHYSA-N	0	3	303.406	2.713	20	30		DFEDHN
C=C(C)CN1CCC(NCc2cn3cccc(F)c3n2)CC1	ZINC000677321488	544470275	/nfs/dbraw/zinc/47/02/75/544470275.db2.gz	XANUZKNGZYHLJX-UHFFFAOYSA-N	0	3	302.397	2.604	20	30		DFEDHN
CC#CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C	ZINC000677839739	544548918	/nfs/dbraw/zinc/54/89/18/544548918.db2.gz	BKPSOXWSVIBOKY-MRXNPFEDSA-N	0	3	314.429	2.693	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@@H](CCC)C1	ZINC000678903656	544747020	/nfs/dbraw/zinc/74/70/20/544747020.db2.gz	BIWORCDTTLBNJQ-RBUKOAKNSA-N	0	3	302.462	2.910	20	30		DFEDHN
C=CCCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000679823629	544913850	/nfs/dbraw/zinc/91/38/50/544913850.db2.gz	NSSDRRNHGCIGKO-MRXNPFEDSA-N	0	3	308.447	2.859	20	30		DFEDHN
Cc1ccc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)nc1C#N	ZINC000302615307	230320362	/nfs/dbraw/zinc/32/03/62/230320362.db2.gz	FSYVRXAMEVFQEM-RDJZCZTQSA-N	0	3	321.428	2.979	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000057870692	425897186	/nfs/dbraw/zinc/89/71/86/425897186.db2.gz	IAIMMYRRMCZXCB-CQSZACIVSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=CCN(CCc1ccccc1)Cc1cc(=O)n2ccccc2n1	ZINC000065959665	425903352	/nfs/dbraw/zinc/90/33/52/425903352.db2.gz	OOHNWMDPOBRVSP-UHFFFAOYSA-N	0	3	319.408	2.925	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)cc2)C1	ZINC000067203636	425909228	/nfs/dbraw/zinc/90/92/28/425909228.db2.gz	ILYLXRXUHJEMTL-KRWDZBQOSA-N	0	3	305.381	2.691	20	30		DFEDHN
C=C(C)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000067445981	425910318	/nfs/dbraw/zinc/91/03/18/425910318.db2.gz	VWCWLMDBWGXVAV-UHFFFAOYSA-N	0	3	302.374	2.642	20	30		DFEDHN
C#CCOc1ccccc1CNCCCN(C)CC(F)(F)F	ZINC000067693539	425912719	/nfs/dbraw/zinc/91/27/19/425912719.db2.gz	HMWXHIUDYBBMJU-UHFFFAOYSA-N	0	3	314.351	2.672	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000067715145	425912754	/nfs/dbraw/zinc/91/27/54/425912754.db2.gz	KUDRNATUMXPQLF-FCEWJHQRSA-N	0	3	313.445	2.632	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000493021471	269857406	/nfs/dbraw/zinc/85/74/06/269857406.db2.gz	NBIAKFKPBSBAQA-KKTNHOPESA-N	0	3	309.413	2.514	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C	ZINC000353332921	269893522	/nfs/dbraw/zinc/89/35/22/269893522.db2.gz	RBZKMWCMFYSTIR-LRDDRELGSA-N	0	3	317.408	2.574	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000155683280	425924001	/nfs/dbraw/zinc/92/40/01/425924001.db2.gz	PLSGPGLXWBPYDU-YQQAZPJKSA-N	0	3	301.434	2.913	20	30		DFEDHN
N#CC(C(=O)NCc1ccco1)c1ccc(C(F)(F)F)cn1	ZINC000155718026	425925791	/nfs/dbraw/zinc/92/57/91/425925791.db2.gz	YTVGPEDPJVDBBL-NSHDSACASA-N	0	3	309.247	2.617	20	30		DFEDHN
N#Cc1cnc(NCC2CCN(c3ccncc3)CC2)c(F)c1	ZINC000413220925	270000088	/nfs/dbraw/zinc/00/00/88/270000088.db2.gz	HVJIMWRFRRXOHF-UHFFFAOYSA-N	0	3	311.364	2.816	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000415055600	270000162	/nfs/dbraw/zinc/00/01/62/270000162.db2.gz	NKDKNINORXROLR-SFHVURJKSA-N	0	3	320.396	2.875	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)NCc1cccc(C#N)c1	ZINC000417001819	270000390	/nfs/dbraw/zinc/00/03/90/270000390.db2.gz	WKHNUQPYNAANDK-SFHVURJKSA-N	0	3	322.412	2.620	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CNCCC1(F)F	ZINC000423484448	270000842	/nfs/dbraw/zinc/00/08/42/270000842.db2.gz	RDXWNTMZYUKURQ-CVEARBPZSA-N	0	3	305.372	2.913	20	30		DFEDHN
N#Cc1cccc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-]	ZINC000450386768	270001182	/nfs/dbraw/zinc/00/11/82/270001182.db2.gz	GBIYFLOOOZLFGV-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)Cc1cccc(F)c1)CC2	ZINC000453221375	270001685	/nfs/dbraw/zinc/00/16/85/270001685.db2.gz	OPVVHNXHWPTPEI-MJGOQNOKSA-N	0	3	310.372	2.878	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NCCN2CCCC[C@H]2C)c1	ZINC000456014278	270001822	/nfs/dbraw/zinc/00/18/22/270001822.db2.gz	XNEDKUIIALMASX-CQSZACIVSA-N	0	3	300.406	2.863	20	30		DFEDHN
COC(=O)CC1(NCc2cc(C#N)ccc2OC)CCCCC1	ZINC000533526983	270003055	/nfs/dbraw/zinc/00/30/55/270003055.db2.gz	CUPFZTMZAVIAGJ-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3cc[nH]n3)CC2)c1	ZINC000155968638	425931293	/nfs/dbraw/zinc/93/12/93/425931293.db2.gz	WFWCZCYCDBNYEO-UHFFFAOYSA-N	0	3	310.401	2.930	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000156750366	425936231	/nfs/dbraw/zinc/93/62/31/425936231.db2.gz	IBMIVMAARJSQHY-KRWDZBQOSA-N	0	3	301.434	2.699	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)CSc1ccc(C#N)cc1	ZINC000103074740	425935986	/nfs/dbraw/zinc/93/59/86/425935986.db2.gz	ZFFCDMPFJYWZJI-OAHLLOKOSA-N	0	3	319.474	2.743	20	30		DFEDHN
CCCC[C@@H](COC)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280321773	266038741	/nfs/dbraw/zinc/03/87/41/266038741.db2.gz	GTWMPZCHLGQODZ-IRXDYDNUSA-N	0	3	313.401	2.562	20	30		DFEDHN
CCCN(CCN1CCN(CC)CC1)c1cccc(F)c1C#N	ZINC000341048327	266047402	/nfs/dbraw/zinc/04/74/02/266047402.db2.gz	OIYMYEYPIMIIGJ-UHFFFAOYSA-N	0	3	318.440	2.551	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C)CC[C@H]1C	ZINC000340383578	266332639	/nfs/dbraw/zinc/33/26/39/266332639.db2.gz	JZKMDBIZSBJUQY-CYBMUJFWSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCCCN(C)CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455657424	267004368	/nfs/dbraw/zinc/00/43/68/267004368.db2.gz	LSVOWLGRZFZKSD-UHFFFAOYSA-N	0	3	315.461	2.975	20	30		DFEDHN
C[C@@H]1CCSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280148195	267026133	/nfs/dbraw/zinc/02/61/33/267026133.db2.gz	WFSYOHPAIHRHHH-CZUORRHYSA-N	0	3	313.426	2.595	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000345649139	267029449	/nfs/dbraw/zinc/02/94/49/267029449.db2.gz	BMHKRMINWNHRFM-GASCZTMLSA-N	0	3	311.429	2.922	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)CN1C	ZINC000351105914	267054576	/nfs/dbraw/zinc/05/45/76/267054576.db2.gz	WFBNSMSMEJUGGO-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCN(CC)Cc1cccc(NC(=O)Cc2ccc(C#N)nc2)c1	ZINC000527887545	267060013	/nfs/dbraw/zinc/06/00/13/267060013.db2.gz	RUXILAYKWWNZEE-UHFFFAOYSA-N	0	3	322.412	2.976	20	30		DFEDHN
C[C@@H]1[C@@H](NCc2nc(C#N)cs2)CCN1Cc1ccccc1	ZINC000352906426	267105947	/nfs/dbraw/zinc/10/59/47/267105947.db2.gz	VZZXXXRZTQWPPD-CJNGLKHVSA-N	0	3	312.442	2.767	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1	ZINC000451599183	267131859	/nfs/dbraw/zinc/13/18/59/267131859.db2.gz	NUQNJZYOBDYOPW-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
CCO[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000451536853	267156032	/nfs/dbraw/zinc/15/60/32/267156032.db2.gz	IHRIHRQAJRGPHJ-ZBFHGGJFSA-N	0	3	318.417	2.693	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cscc1C#N	ZINC000345497624	267156168	/nfs/dbraw/zinc/15/61/68/267156168.db2.gz	ZBGMNXJOHLSSMT-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
CCO[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000451536852	267156219	/nfs/dbraw/zinc/15/62/19/267156219.db2.gz	IHRIHRQAJRGPHJ-HOCLYGCPSA-N	0	3	318.417	2.693	20	30		DFEDHN
CC[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000414264589	267193738	/nfs/dbraw/zinc/19/37/38/267193738.db2.gz	QLAMKYWYXRMAJJ-OAHLLOKOSA-N	0	3	308.447	2.812	20	30		DFEDHN
CC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1	ZINC000447601202	267194007	/nfs/dbraw/zinc/19/40/07/267194007.db2.gz	PBPWMPYUZVIOAD-HZPDHXFCSA-N	0	3	306.431	2.566	20	30		DFEDHN
CC[C@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)OC	ZINC000419276613	267210248	/nfs/dbraw/zinc/21/02/48/267210248.db2.gz	KTYHHXGCLKSIQV-CQSZACIVSA-N	0	3	306.381	2.966	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)CCc1ccc(C#N)cc1	ZINC000341040794	267214585	/nfs/dbraw/zinc/21/45/85/267214585.db2.gz	OSFYFTUQNOYXRP-HOTGVXAUSA-N	0	3	313.445	2.870	20	30		DFEDHN
C[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1	ZINC000345169745	267222752	/nfs/dbraw/zinc/22/27/52/267222752.db2.gz	HHZRKCGXEAMQNM-YJBOKZPZSA-N	0	3	313.445	2.885	20	30		DFEDHN
CC[C@H](Nc1ccc(N2CCNCC2)cn1)c1ccc(C#N)cc1	ZINC000423232783	267223197	/nfs/dbraw/zinc/22/31/97/267223197.db2.gz	NGTAONZPEVTHBX-SFHVURJKSA-N	0	3	321.428	2.926	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCC1(F)F	ZINC000352026280	267229861	/nfs/dbraw/zinc/22/98/61/267229861.db2.gz	FLBQBRQHOPGIMR-LBPRGKRZSA-N	0	3	307.344	2.864	20	30		DFEDHN
CCc1cc(N2CCN(c3snc(C)c3C#N)CC2)ccn1	ZINC000450533634	267246062	/nfs/dbraw/zinc/24/60/62/267246062.db2.gz	WCQZOLLCMKJMMR-UHFFFAOYSA-N	0	3	313.430	2.607	20	30		DFEDHN
CCc1cc(N2CCN(c3cccc(F)c3C#N)CC2)ccn1	ZINC000450250414	267246178	/nfs/dbraw/zinc/24/61/78/267246178.db2.gz	JVALWEZWZSAZNZ-UHFFFAOYSA-N	0	3	310.376	2.981	20	30		DFEDHN
C[C@H]1[C@H](NCc2nc(C#N)cs2)CCN1Cc1ccccc1	ZINC000352906428	267252468	/nfs/dbraw/zinc/25/24/68/267252468.db2.gz	VZZXXXRZTQWPPD-XJKSGUPXSA-N	0	3	312.442	2.767	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCN1C	ZINC000342337453	267252476	/nfs/dbraw/zinc/25/24/76/267252476.db2.gz	CTNYCZAJJNEFBI-GXTWGEPZSA-N	0	3	317.437	2.719	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)Cc2cccc(C#N)c2)c1	ZINC000530912967	267280708	/nfs/dbraw/zinc/28/07/08/267280708.db2.gz	AXDMANDEIGBXLO-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1	ZINC000490982688	267286606	/nfs/dbraw/zinc/28/66/06/267286606.db2.gz	PQFMGCDOAGPXMS-HSNDNRACSA-N	0	3	319.408	2.991	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(CCC(F)(F)F)CC1	ZINC000449786609	267315620	/nfs/dbraw/zinc/31/56/20/267315620.db2.gz	OYTYOVGYDPEIFR-UHFFFAOYSA-N	0	3	315.339	3.000	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1	ZINC000341817801	267317314	/nfs/dbraw/zinc/31/73/14/267317314.db2.gz	BWFJVTKFJWAWGC-GDBMZVCRSA-N	0	3	307.401	2.904	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)n1	ZINC000341817805	267317385	/nfs/dbraw/zinc/31/73/85/267317385.db2.gz	BWFJVTKFJWAWGC-HOCLYGCPSA-N	0	3	307.401	2.904	20	30		DFEDHN
Cc1cc(CNCc2ccc(Cn3cncn3)cc2)ccc1C#N	ZINC000348171131	267327242	/nfs/dbraw/zinc/32/72/42/267327242.db2.gz	GORQSDSNNZGPMW-UHFFFAOYSA-N	0	3	317.396	2.796	20	30		DFEDHN
CN1CCC(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000416337632	267332299	/nfs/dbraw/zinc/33/22/99/267332299.db2.gz	ASFHUZQTSVOHRJ-GOSISDBHSA-N	0	3	311.429	2.784	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000412230356	267333889	/nfs/dbraw/zinc/33/38/89/267333889.db2.gz	RQZLOKMRVACUMO-ZWKOTPCHSA-N	0	3	323.440	2.749	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N	ZINC000432141316	267334342	/nfs/dbraw/zinc/33/43/42/267334342.db2.gz	DBVSADXKTQYDTA-OAHLLOKOSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc(C#N)cc(N(C)C)c2)nc(C)n1	ZINC000344732061	267360689	/nfs/dbraw/zinc/36/06/89/267360689.db2.gz	QXFPBINMARILFF-MRXNPFEDSA-N	0	3	319.368	2.521	20	30		DFEDHN
COC(=O)COc1cccc(CNCc2ccc(C#N)c(C)c2)c1	ZINC000444003870	267364891	/nfs/dbraw/zinc/36/48/91/267364891.db2.gz	VBWOQQFUFSHUDY-UHFFFAOYSA-N	0	3	324.380	2.708	20	30		DFEDHN
COC(=O)N1CCC(CN[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000495751631	267374676	/nfs/dbraw/zinc/37/46/76/267374676.db2.gz	AUJWTQHDZWKKJC-LBPRGKRZSA-N	0	3	319.380	2.826	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2cccc(F)c2C#N)CC1	ZINC000496539118	267376592	/nfs/dbraw/zinc/37/65/92/267376592.db2.gz	JVQSRLPGZNLWTJ-LBPRGKRZSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000030532779	267394825	/nfs/dbraw/zinc/39/48/25/267394825.db2.gz	AXLFJPIICRELMA-GUYCJALGSA-N	0	3	314.360	2.788	20	30		DFEDHN
COCc1ccc(NC(=O)CCN(C)c2ccncc2)cc1C#N	ZINC000529816147	267496663	/nfs/dbraw/zinc/49/66/63/267496663.db2.gz	IJRMXHJXQHMPDX-UHFFFAOYSA-N	0	3	324.384	2.565	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2nccc(C#N)c2Cl)C[C@@H](C)C1	ZINC000488754419	267779818	/nfs/dbraw/zinc/77/98/18/267779818.db2.gz	UWGWHCUMZXKKQO-SCRDCRAPSA-N	0	3	304.825	2.773	20	30		DFEDHN
CN(CCC(=O)N1CCc2ccccc21)Cc1cccc(C#N)c1	ZINC000026329341	425810963	/nfs/dbraw/zinc/81/09/63/425810963.db2.gz	SJBVRBWYCRUVBY-UHFFFAOYSA-N	0	3	319.408	2.969	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000025865772	425808136	/nfs/dbraw/zinc/80/81/36/425808136.db2.gz	ZASHADHDVMCSBF-MAUKXSAKSA-N	0	3	310.397	2.843	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000046529386	425865506	/nfs/dbraw/zinc/86/55/06/425865506.db2.gz	GPSISKDBYCSETC-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccs1	ZINC000037890351	425849560	/nfs/dbraw/zinc/84/95/60/425849560.db2.gz	MLCJTRWTZAKIHC-JSGCOSHPSA-N	0	3	302.399	2.710	20	30		DFEDHN
Cc1cc(CNC[C@H]2c3ccccc3C(=O)N2C)ccc1C#N	ZINC000527808441	267998820	/nfs/dbraw/zinc/99/88/20/267998820.db2.gz	NNCFKVNSJMDUNR-SFHVURJKSA-N	0	3	305.381	2.783	20	30		DFEDHN
Cc1cc(OC[C@H](O)CN2CCc3ccccc3C2)ccc1C#N	ZINC000434638675	268013179	/nfs/dbraw/zinc/01/31/79/268013179.db2.gz	CIEZDVQSGXHLCI-LJQANCHMSA-N	0	3	322.408	2.665	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)o1	ZINC000525914355	268035383	/nfs/dbraw/zinc/03/53/83/268035383.db2.gz	IWVOFQHQVDTYCP-INIZCTEOSA-N	0	3	307.353	2.501	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N3CCN(CC4CC4)CC3)c2c1	ZINC000488132676	268048864	/nfs/dbraw/zinc/04/88/64/268048864.db2.gz	VTDQYVGZTAACDW-UHFFFAOYSA-N	0	3	306.413	2.947	20	30		DFEDHN
Cc1cccc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000449338275	268051403	/nfs/dbraw/zinc/05/14/03/268051403.db2.gz	UTNPOJJPNDMQLL-SFHVURJKSA-N	0	3	307.397	2.958	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000341200825	268060397	/nfs/dbraw/zinc/06/03/97/268060397.db2.gz	YCCZLVVQXVXXNV-GOSISDBHSA-N	0	3	311.429	2.578	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1F	ZINC000404608531	268072740	/nfs/dbraw/zinc/07/27/40/268072740.db2.gz	NQOBLXPBIAXFEO-UHFFFAOYSA-N	0	3	315.314	2.814	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(O)CCSC2)c(C(F)(F)F)c1	ZINC000352834762	268073826	/nfs/dbraw/zinc/07/38/26/268073826.db2.gz	JCADZYQZLUMHDS-ZDUSSCGKSA-N	0	3	316.348	2.535	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCCN2CCc2ccccc2)o1	ZINC000360022644	268073843	/nfs/dbraw/zinc/07/38/43/268073843.db2.gz	PYZGGEHMGFMZPE-KRWDZBQOSA-N	0	3	309.413	2.948	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccsc3C2)cc1	ZINC000280145989	268083965	/nfs/dbraw/zinc/08/39/65/268083965.db2.gz	RIJYFLDPYHILDZ-INIZCTEOSA-N	0	3	321.405	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCC(F)(F)F)cc1	ZINC000280629599	268089365	/nfs/dbraw/zinc/08/93/65/268089365.db2.gz	YTNSRPVBHPHVMP-CYBMUJFWSA-N	0	3	309.291	2.699	20	30		DFEDHN
Cn1cc(CNCC(C)(C)CC#N)c(-c2ccc(C#N)cc2)n1	ZINC000459738134	268128398	/nfs/dbraw/zinc/12/83/98/268128398.db2.gz	XPAPXDULYRYSQF-UHFFFAOYSA-N	0	3	307.401	2.988	20	30		DFEDHN
Cn1cc(CNC2CC(F)(F)C2)c(-c2ccc(C#N)cc2)n1	ZINC000428647814	268128896	/nfs/dbraw/zinc/12/88/96/268128896.db2.gz	IHRQUILCNUUMPU-UHFFFAOYSA-N	0	3	302.328	2.846	20	30		DFEDHN
N#Cc1ccc(C2(NCc3ccnc(C#N)c3)CCOCC2)cc1	ZINC000528777596	268212118	/nfs/dbraw/zinc/21/21/18/268212118.db2.gz	CFIUHERGCHTLSD-UHFFFAOYSA-N	0	3	318.380	2.620	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](O)COc2ccc(Cl)cc2)s1	ZINC000519595682	268233477	/nfs/dbraw/zinc/23/34/77/268233477.db2.gz	QIXKUUYUJZKVGG-GFCCVEGCSA-N	0	3	322.817	2.803	20	30		DFEDHN
N#Cc1ccc(N2CCN(CC3CCC(F)(F)CC3)CC2)nc1	ZINC000459304710	268235174	/nfs/dbraw/zinc/23/51/74/268235174.db2.gz	OBYWTUBSJKFBHZ-UHFFFAOYSA-N	0	3	320.387	2.901	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(C#N)cc1	ZINC000272207547	268251470	/nfs/dbraw/zinc/25/14/70/268251470.db2.gz	QXWBTOHZAIUROD-XVJNWHFHSA-N	0	3	311.429	2.760	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCOCC12CCCC2	ZINC000270639794	268278658	/nfs/dbraw/zinc/27/86/58/268278658.db2.gz	MYLMAMKVKZRGHU-UHFFFAOYSA-N	0	3	313.401	2.532	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN[C@H]2CCc3c2cccc3O)c1	ZINC000451177732	268279706	/nfs/dbraw/zinc/27/97/06/268279706.db2.gz	JQFUKGNHWBXJCN-KRWDZBQOSA-N	0	3	321.380	2.870	20	30		DFEDHN
N#Cc1cnc(N[C@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1	ZINC000450361712	268313431	/nfs/dbraw/zinc/31/34/31/268313431.db2.gz	ONICIWHZWIQLPE-AWEZNQCLSA-N	0	3	315.377	2.538	20	30		DFEDHN
N#Cc1csc(CNC2CCN(Cc3ccccc3)CC2)n1	ZINC000352844313	268320120	/nfs/dbraw/zinc/32/01/20/268320120.db2.gz	FSONSRMZUIZNSB-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#Cc1ncc(NC(=O)NCCN2CCCCCC2)cc1Cl	ZINC000455748832	268322634	/nfs/dbraw/zinc/32/26/34/268322634.db2.gz	DUCPYTCVDWLFAM-UHFFFAOYSA-N	0	3	321.812	2.604	20	30		DFEDHN
C[C@@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000308696438	268335324	/nfs/dbraw/zinc/33/53/24/268335324.db2.gz	MVHSEXDKIKZDRA-RHSMWYFYSA-N	0	3	320.458	2.890	20	30		DFEDHN
COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1C#N	ZINC000124927745	425945035	/nfs/dbraw/zinc/94/50/35/425945035.db2.gz	FGVJLEYIPLQRTN-UHFFFAOYSA-N	0	3	312.369	2.874	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(C#N)cc1	ZINC000103513027	425951639	/nfs/dbraw/zinc/95/16/39/425951639.db2.gz	GSZMOGXBESGRRZ-CQSZACIVSA-N	0	3	314.433	2.602	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3C)c2)CC1	ZINC000069703838	425954583	/nfs/dbraw/zinc/95/45/83/425954583.db2.gz	SCCAPEPFSBRXAC-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1	ZINC000069806059	425957985	/nfs/dbraw/zinc/95/79/85/425957985.db2.gz	GHFZRBNZNPKBFD-CYBMUJFWSA-N	0	3	323.458	2.590	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@H](c3nccs3)C2)cc1	ZINC000127339920	426061708	/nfs/dbraw/zinc/06/17/08/426061708.db2.gz	MPSMPCYVTNWRMF-JKSUJKDBSA-N	0	3	313.426	2.928	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@@]1(C)CCCO1)C(C)C	ZINC000126347921	426015520	/nfs/dbraw/zinc/01/55/20/426015520.db2.gz	BXVMKCPPGZYLFW-SJLPKXTDSA-N	0	3	323.481	2.553	20	30		DFEDHN
CCN(CC(=O)Nc1ccccc1SCC#N)CC1CC1	ZINC000072632742	426018487	/nfs/dbraw/zinc/01/84/87/426018487.db2.gz	CLSUJIOJCCCKFO-UHFFFAOYSA-N	0	3	303.431	2.973	20	30		DFEDHN
CCC[C@H]1[C@H](C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000072775067	426019553	/nfs/dbraw/zinc/01/95/53/426019553.db2.gz	IYALSYAGKDSRME-CVEARBPZSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)[C@H]1COc2ccccc21	ZINC000163075830	426089251	/nfs/dbraw/zinc/08/92/51/426089251.db2.gz	UMNWZFOUCZTXIQ-HLLBOEOZSA-N	0	3	314.429	2.730	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000127948806	426094061	/nfs/dbraw/zinc/09/40/61/426094061.db2.gz	DEUHIVLNWREYMO-AEFFLSMTSA-N	0	3	300.402	2.564	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NCCCNC(=O)C2CCC2)C1	ZINC000128007578	426096094	/nfs/dbraw/zinc/09/60/94/426096094.db2.gz	PVDVDHPQZVTWRW-UHFFFAOYSA-N	0	3	311.429	2.506	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000163697892	426107248	/nfs/dbraw/zinc/10/72/48/426107248.db2.gz	VFZMTODVUUVNGY-QGZVFWFLSA-N	0	3	301.434	2.959	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCc1cccc(C#N)c1	ZINC000113405654	426113702	/nfs/dbraw/zinc/11/37/02/426113702.db2.gz	QEVDEGKXSALGBV-KRWDZBQOSA-N	0	3	314.433	2.622	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](Nc2ccccc2)C1	ZINC000076757386	426116171	/nfs/dbraw/zinc/11/61/71/426116171.db2.gz	WADPRWTXVZEDGJ-AEFFLSMTSA-N	0	3	313.445	2.762	20	30		DFEDHN
C=CCCCN(C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC000076733702	426116268	/nfs/dbraw/zinc/11/62/68/426116268.db2.gz	SREUNIQFSIDOIG-KRWDZBQOSA-N	0	3	320.408	2.624	20	30		DFEDHN
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1	ZINC000162757174	426075769	/nfs/dbraw/zinc/07/57/69/426075769.db2.gz	VLVQRRJWCDFRGI-TZMCWYRMSA-N	0	3	313.319	2.951	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1cccs1	ZINC000116908841	426201458	/nfs/dbraw/zinc/20/14/58/426201458.db2.gz	GSFYSWRHUMDZFM-GDBMZVCRSA-N	0	3	312.438	2.759	20	30		DFEDHN
CN(C)CCOc1ccccc1C(=O)Nc1ccc(CC#N)cc1	ZINC000129224546	426139474	/nfs/dbraw/zinc/13/94/74/426139474.db2.gz	ORPILVPIJSCBNA-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1	ZINC000170647858	426142526	/nfs/dbraw/zinc/14/25/26/426142526.db2.gz	OJNNPDWXZZPZST-MRXNPFEDSA-N	0	3	315.417	2.905	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@@H]3CCCC(F)(F)C3)CC2)n1	ZINC000338303059	268654404	/nfs/dbraw/zinc/65/44/04/268654404.db2.gz	LNLKQRHXKSBBFF-CQSZACIVSA-N	0	3	320.387	2.901	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCSC[C@H]1c1ccccc1	ZINC000131615948	426165821	/nfs/dbraw/zinc/16/58/21/426165821.db2.gz	SKQCWRBUSHRPMV-INIZCTEOSA-N	0	3	317.458	2.539	20	30		DFEDHN
CN(CCN1CCN(c2ccccc2)CC1)CCC(C)(C)C#N	ZINC000131669187	426165894	/nfs/dbraw/zinc/16/58/94/426165894.db2.gz	JLNCGSXXWNRINV-UHFFFAOYSA-N	0	3	314.477	2.680	20	30		DFEDHN
CN(C(=O)CN(CC1CC1)CC1CC1)C1(C#N)CCCCC1	ZINC000115565042	426167888	/nfs/dbraw/zinc/16/78/88/426167888.db2.gz	XKQPNGDFRJLYQA-UHFFFAOYSA-N	0	3	303.450	2.793	20	30		DFEDHN
N#CCCn1cc(CNC[C@H]2CCCO2)c(-c2ccccc2)n1	ZINC000078409028	426169187	/nfs/dbraw/zinc/16/91/87/426169187.db2.gz	JZVBFLMLIGHIKS-QGZVFWFLSA-N	0	3	310.401	2.732	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2cccs2)CC1	ZINC000078533214	426174213	/nfs/dbraw/zinc/17/42/13/426174213.db2.gz	WJHNQXFZTGPDJJ-UHFFFAOYSA-N	0	3	307.463	2.630	20	30		DFEDHN
C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1	ZINC000115802863	426174721	/nfs/dbraw/zinc/17/47/21/426174721.db2.gz	NRQCQHZGZDOPIO-GDBMZVCRSA-N	0	3	314.433	2.602	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccc(C#N)cc1	ZINC000078614933	426178040	/nfs/dbraw/zinc/17/80/40/426178040.db2.gz	GHWAYSOVADUZOG-QGZVFWFLSA-N	0	3	301.434	2.583	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1	ZINC000084108878	426232650	/nfs/dbraw/zinc/23/26/50/426232650.db2.gz	LPWLQXLQEZBFFI-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cn2)CC1	ZINC000119258489	426274088	/nfs/dbraw/zinc/27/40/88/426274088.db2.gz	KOGPJMZTQRGMRQ-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2cc(C#N)cs2)N(C)C)cc1	ZINC000084183243	426234635	/nfs/dbraw/zinc/23/46/35/426234635.db2.gz	JFQSJTZWXSXLAB-HNNXBMFYSA-N	0	3	313.426	2.961	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@H](C)[C@@H]2C)CC1	ZINC000118481720	426237755	/nfs/dbraw/zinc/23/77/55/426237755.db2.gz	FPFVHZNFJXXHFO-UONOGXRCSA-N	0	3	311.495	2.562	20	30		DFEDHN
CCC(CC)(CC)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000147448610	426260026	/nfs/dbraw/zinc/26/00/26/426260026.db2.gz	UUUNWGWMHZMXTN-UHFFFAOYSA-N	0	3	308.447	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1	ZINC000171730457	426207604	/nfs/dbraw/zinc/20/76/04/426207604.db2.gz	RUIOEMCXDSPJSZ-UHFFFAOYSA-N	0	3	312.457	2.875	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(C)c2)CC1	ZINC000171726873	426207823	/nfs/dbraw/zinc/20/78/23/426207823.db2.gz	NCCJXNLCYMIVJS-OAHLLOKOSA-N	0	3	302.418	2.529	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3oc(C)nc3c2)CC1	ZINC000171740779	426208910	/nfs/dbraw/zinc/20/89/10/426208910.db2.gz	ZQQMZVZPCCCAHZ-UHFFFAOYSA-N	0	3	314.389	2.908	20	30		DFEDHN
N#CC1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)CC1	ZINC000151589275	426303098	/nfs/dbraw/zinc/30/30/98/426303098.db2.gz	ZEJIHDVMPYNDDK-CQSZACIVSA-N	0	3	312.335	2.844	20	30		DFEDHN
CN1C(=O)C[C@H](NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000120023696	426306028	/nfs/dbraw/zinc/30/60/28/426306028.db2.gz	KKMWOQYVHJZFJU-HKUYNNGSSA-N	0	3	323.371	2.759	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](C)c1ccc(CC(C)C)cc1	ZINC000120300071	426310310	/nfs/dbraw/zinc/31/03/10/426310310.db2.gz	NNVUZWPRAOSFFL-CQSZACIVSA-N	0	3	317.433	2.548	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(C#N)c[nH]1	ZINC000175536591	426311799	/nfs/dbraw/zinc/31/17/99/426311799.db2.gz	GLIPBZPCFCBYFU-UHFFFAOYSA-N	0	3	310.401	2.610	20	30		DFEDHN
C[C@@H](c1ccccc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942695	426320495	/nfs/dbraw/zinc/32/04/95/426320495.db2.gz	SGZITUBEPUVQLS-NSHDSACASA-N	0	3	301.369	2.628	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCc1cc(Cl)ccc1OC	ZINC000121155007	426321988	/nfs/dbraw/zinc/32/19/88/426321988.db2.gz	VQMLUEDXYVGXLK-UHFFFAOYSA-N	0	3	310.825	2.863	20	30		DFEDHN
C=CCN(CCOC[C@@H]1CCCO1)Cc1ccc(OC)cc1	ZINC000152179175	426330450	/nfs/dbraw/zinc/33/04/50/426330450.db2.gz	IAVCYBGELJRZLY-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1	ZINC000175866053	426335626	/nfs/dbraw/zinc/33/56/26/426335626.db2.gz	QYPYSXOFWBPHGO-WJONJSRFSA-N	0	3	320.458	2.736	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc([C@H](C)CC)no2)CC1	ZINC000119283334	426275716	/nfs/dbraw/zinc/27/57/16/426275716.db2.gz	YQANGSRRZHKIEQ-CYBMUJFWSA-N	0	3	305.422	2.958	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000153635197	426396206	/nfs/dbraw/zinc/39/62/06/426396206.db2.gz	WXVSTSZUXDOPPC-SJLPKXTDSA-N	0	3	300.402	2.694	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1	ZINC000092538078	426350186	/nfs/dbraw/zinc/35/01/86/426350186.db2.gz	ZXVTUSVITSKZJV-UHFFFAOYSA-N	0	3	302.418	2.694	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCCc2csc(C)n2)CC1	ZINC000176285834	426366603	/nfs/dbraw/zinc/36/66/03/426366603.db2.gz	JSOGPCGCWRCQRX-UHFFFAOYSA-N	0	3	321.490	2.931	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)n(C)n1)C(C)C	ZINC000122659575	426387053	/nfs/dbraw/zinc/38/70/53/426387053.db2.gz	DOXCVZIZOPUZLL-OAHLLOKOSA-N	0	3	319.453	2.549	20	30		DFEDHN
N#Cc1cnc(NC[C@@H]2CCCCN2Cc2ccccc2)cn1	ZINC000122664693	426387339	/nfs/dbraw/zinc/38/73/39/426387339.db2.gz	QNLJXEXCWLNOPY-KRWDZBQOSA-N	0	3	307.401	2.815	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000123040498	426410551	/nfs/dbraw/zinc/41/05/51/426410551.db2.gz	RUCHCUYBVWFXKR-LSDHHAIUSA-N	0	3	302.418	2.806	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](SCC)C2)CC1	ZINC000176755017	426411914	/nfs/dbraw/zinc/41/19/14/426411914.db2.gz	YBZWUIUXROUCNS-HZPDHXFCSA-N	0	3	308.491	2.512	20	30		DFEDHN
CN(C)CCN(C(=O)c1cc(C#N)cs1)C1CCCCC1	ZINC000176992389	426432621	/nfs/dbraw/zinc/43/26/21/426432621.db2.gz	JHNCLZJXUKJYMK-UHFFFAOYSA-N	0	3	305.447	2.956	20	30		DFEDHN
CC#CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000154424498	426440360	/nfs/dbraw/zinc/44/03/60/426440360.db2.gz	CGBPNEZALXIUJX-INIZCTEOSA-N	0	3	324.346	2.581	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@H]1C	ZINC000340965871	269029718	/nfs/dbraw/zinc/02/97/18/269029718.db2.gz	CFAUARMRVSWGGK-CHWSQXEVSA-N	0	3	303.381	2.690	20	30		DFEDHN
CCC[C@H]1CN(Cc2cccc(C#N)c2F)CCN1CCOC	ZINC000341134714	269043895	/nfs/dbraw/zinc/04/38/95/269043895.db2.gz	XVWGNOWXGLTVMG-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1	ZINC000123794419	426453866	/nfs/dbraw/zinc/45/38/66/426453866.db2.gz	YLZFQWULDLABFG-HNNXBMFYSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC000177208143	426453968	/nfs/dbraw/zinc/45/39/68/426453968.db2.gz	KRGVTCNFCGREES-KBPBESRZSA-N	0	3	300.402	2.606	20	30		DFEDHN
C=C(C)CN(CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000123893255	426458477	/nfs/dbraw/zinc/45/84/77/426458477.db2.gz	POSZGSLCFDGQRG-GFCCVEGCSA-N	0	3	307.369	2.760	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccc(OC)cc2)C1	ZINC000155310497	426468392	/nfs/dbraw/zinc/46/83/92/426468392.db2.gz	HVNAPUILCUYGDH-KRWDZBQOSA-N	0	3	314.429	2.685	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccc(OC)cc2)C1	ZINC000155310384	426469144	/nfs/dbraw/zinc/46/91/44/426469144.db2.gz	HVNAPUILCUYGDH-QGZVFWFLSA-N	0	3	314.429	2.685	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000155446527	426471932	/nfs/dbraw/zinc/47/19/32/426471932.db2.gz	OENYGQHOQLWILK-MAUKXSAKSA-N	0	3	301.434	2.915	20	30		DFEDHN
N#Cc1csc(CNCCCNC(=O)c2ccc(F)cc2)c1	ZINC000177698755	426508322	/nfs/dbraw/zinc/50/83/22/426508322.db2.gz	CDWUBNGCRFYVOY-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccccc1C#N	ZINC000177812119	426524709	/nfs/dbraw/zinc/52/47/09/426524709.db2.gz	QRJRURVUSSXGJN-WGDYAQENSA-N	0	3	309.413	2.657	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2c(F)cccc2F)CC1	ZINC000264393828	426547364	/nfs/dbraw/zinc/54/73/64/426547364.db2.gz	KUHQCKZLGVNHLR-LBPRGKRZSA-N	0	3	323.387	2.975	20	30		DFEDHN
Cc1cnn([C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)c1	ZINC000264522681	426568349	/nfs/dbraw/zinc/56/83/49/426568349.db2.gz	AYBDVQMHYSKYLI-KRWDZBQOSA-N	0	3	310.401	2.931	20	30		DFEDHN
COCCN1CC[C@H](Nc2cccc(OCCCC#N)c2)C1	ZINC000273158636	426605616	/nfs/dbraw/zinc/60/56/16/426605616.db2.gz	JUEWCODPBFQBDW-INIZCTEOSA-N	0	3	303.406	2.502	20	30		DFEDHN
N#Cc1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)cc1	ZINC000273175319	426608864	/nfs/dbraw/zinc/60/88/64/426608864.db2.gz	LAYNRDMGCWUUMX-LJQANCHMSA-N	0	3	307.397	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)cc3c[nH]nc32)CC1	ZINC000264462594	426558358	/nfs/dbraw/zinc/55/83/58/426558358.db2.gz	GSIQVHZJMURGNO-UHFFFAOYSA-N	0	3	312.417	2.642	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(OC)cc2)CC1	ZINC000264471290	426559026	/nfs/dbraw/zinc/55/90/26/426559026.db2.gz	IVFHPHQSBAYWLS-RMKNXTFCSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(OCCF)c2)CC1	ZINC000178031606	426559048	/nfs/dbraw/zinc/55/90/48/426559048.db2.gz	IWAMFOIYLPAIOG-UHFFFAOYSA-N	0	3	321.396	2.807	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000264472837	426559467	/nfs/dbraw/zinc/55/94/67/426559467.db2.gz	NZPMABRDTMCUSO-FRRDWIJNSA-N	0	3	317.393	2.640	20	30		DFEDHN
C=CCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1OC	ZINC000280717466	426641292	/nfs/dbraw/zinc/64/12/92/426641292.db2.gz	USFTTZQLBQYDHQ-QFIPXVFZSA-N	0	3	323.458	2.651	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	ZINC000280861744	426672249	/nfs/dbraw/zinc/67/22/49/426672249.db2.gz	ZGYWUXGQUHYCCU-JHJVBQTASA-N	0	3	303.406	2.556	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N1CCN(C2CCCC2)CC1	ZINC000265759112	426685011	/nfs/dbraw/zinc/68/50/11/426685011.db2.gz	FVXWTZSAFBOVDO-UHFFFAOYSA-N	0	3	307.401	2.566	20	30		DFEDHN
CN(CCNC(=O)c1cccc(F)c1C#N)Cc1ccccc1	ZINC000187059130	426623945	/nfs/dbraw/zinc/62/39/45/426623945.db2.gz	IBSUXVHFPZLOCC-UHFFFAOYSA-N	0	3	311.360	2.559	20	30		DFEDHN
C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)c(F)c1	ZINC000290167803	426708833	/nfs/dbraw/zinc/70/88/33/426708833.db2.gz	DPYFFFUBCOPILM-SDDDUWNISA-N	0	3	312.344	2.843	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](COC)C1CCOCC1	ZINC000187997771	426713065	/nfs/dbraw/zinc/71/30/65/426713065.db2.gz	AEJWIXVDQWZPFN-KRWDZBQOSA-N	0	3	305.418	2.783	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)c1ccc(C#N)cc1)CC2	ZINC000265961411	426718765	/nfs/dbraw/zinc/71/87/65/426718765.db2.gz	JDCQMFJFRANDKC-ZTFGCOKTSA-N	0	3	314.429	2.871	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(CCN(C)C)C(C)C	ZINC000188074958	426719712	/nfs/dbraw/zinc/71/97/12/426719712.db2.gz	JCXZNWFDJZOZDP-UHFFFAOYSA-N	0	3	303.406	2.503	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000188651351	426772255	/nfs/dbraw/zinc/77/22/55/426772255.db2.gz	PDTWKBGHGRIHHP-LMMKCTJWSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000188692279	426779300	/nfs/dbraw/zinc/77/93/00/426779300.db2.gz	RHCMGTNSYVPSKZ-APWZRJJASA-N	0	3	318.461	2.852	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCC#N)c2)CCN1C	ZINC000266375213	426724768	/nfs/dbraw/zinc/72/47/68/426724768.db2.gz	LSVWENQOUGARNW-HIFRSBDPSA-N	0	3	316.405	2.535	20	30		DFEDHN
COc1cc(CN(C)Cc2ccc(OCC#N)cc2)ccc1O	ZINC000266949960	426802649	/nfs/dbraw/zinc/80/26/49/426802649.db2.gz	UBPLPVFASXOUKO-UHFFFAOYSA-N	0	3	312.369	2.935	20	30		DFEDHN
CN(C)[C@@]1(CNc2snc(Cl)c2C#N)CCSC1	ZINC000267068415	426819158	/nfs/dbraw/zinc/81/91/58/426819158.db2.gz	IESUMZJFCXTVMJ-LLVKDONJSA-N	0	3	302.856	2.517	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O	ZINC000282101555	426830170	/nfs/dbraw/zinc/83/01/70/426830170.db2.gz	WCYLPSGDNYKHBU-IAGOWNOFSA-N	0	3	302.418	2.769	20	30		DFEDHN
COc1cc(CN2CCC(Cn3cccn3)CC2)ccc1C#N	ZINC000282141877	426838077	/nfs/dbraw/zinc/83/80/77/426838077.db2.gz	CFAPIPCDGAWVFX-UHFFFAOYSA-N	0	3	310.401	2.676	20	30		DFEDHN
C=C(C)CCN1CCN(CCOc2cccc(OC)c2)CC1	ZINC000274790935	426838087	/nfs/dbraw/zinc/83/80/87/426838087.db2.gz	OBISZSOPFMYMDB-UHFFFAOYSA-N	0	3	304.434	2.658	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](C3(C)OCCO3)C2)ccc1C#N	ZINC000282143491	426838413	/nfs/dbraw/zinc/83/84/13/426838413.db2.gz	CFUMYOYWXZSUIK-MRXNPFEDSA-N	0	3	316.401	2.542	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H]1Cn1ccnc1C	ZINC000180129317	426839427	/nfs/dbraw/zinc/83/94/27/426839427.db2.gz	UDOBQSNSSGUMSQ-GOSISDBHSA-N	0	3	309.413	2.868	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1OC	ZINC000189350781	426843219	/nfs/dbraw/zinc/84/32/19/426843219.db2.gz	WCEJLQPRZXJWSE-IRXDYDNUSA-N	0	3	305.418	2.899	20	30		DFEDHN
OCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1	ZINC000275784459	426916382	/nfs/dbraw/zinc/91/63/82/426916382.db2.gz	CTJSXNLGJOESAA-UHFFFAOYSA-N	0	3	313.319	2.784	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CCCCC(=O)OC)C(C)C	ZINC000275559564	426869824	/nfs/dbraw/zinc/86/98/24/426869824.db2.gz	HJVSUTGCBDARDZ-INIZCTEOSA-N	0	3	324.465	2.535	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1Cl	ZINC000282312228	426878386	/nfs/dbraw/zinc/87/83/86/426878386.db2.gz	KNQGVOPAVCFHMO-FZMZJTMJSA-N	0	3	308.809	2.662	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)C#Cc1ccccc1	ZINC000267844614	426887213	/nfs/dbraw/zinc/88/72/13/426887213.db2.gz	OOZWIIDYQKTNDD-UHFFFAOYSA-N	0	3	312.438	2.690	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)[C@H]1COc2ccccc21	ZINC000247008462	426891288	/nfs/dbraw/zinc/89/12/88/426891288.db2.gz	UIKLETWNNVQMJJ-HLLBOEOZSA-N	0	3	316.445	2.954	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2ncccc2C#N)c1	ZINC000189628300	426906455	/nfs/dbraw/zinc/90/64/55/426906455.db2.gz	CHVPSZKAADOAFY-UHFFFAOYSA-N	0	3	310.401	2.530	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1	ZINC000247573774	426951479	/nfs/dbraw/zinc/95/14/79/426951479.db2.gz	XDCKNHCAZZERFJ-ZNZDAUKMSA-N	0	3	308.381	2.725	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(Br)ccc1OC	ZINC000320203363	426963327	/nfs/dbraw/zinc/96/33/27/426963327.db2.gz	DCPSHTAUYOGENO-ZDUSSCGKSA-N	0	3	314.223	2.874	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cccc(OC)c1OC(F)F	ZINC000321500074	426968787	/nfs/dbraw/zinc/96/87/87/426968787.db2.gz	USEPDYVBJKLOMN-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000247971062	426970519	/nfs/dbraw/zinc/97/05/19/426970519.db2.gz	JKNANAVUHXNPTG-WMZOPIPTSA-N	0	3	300.402	2.564	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cn2c(n1)CCCC2	ZINC000328715155	426991165	/nfs/dbraw/zinc/99/11/65/426991165.db2.gz	OIEUEPWXSHKNES-CYBMUJFWSA-N	0	3	302.422	2.541	20	30		DFEDHN
C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1nccs1	ZINC000328726646	426992222	/nfs/dbraw/zinc/99/22/22/426992222.db2.gz	ZSJUIGSOSCPVLE-NXEZZACHSA-N	0	3	308.407	2.751	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C2CC2)no1)C(C)C	ZINC000337838849	426992238	/nfs/dbraw/zinc/99/22/38/426992238.db2.gz	KTYPCIPPCGIWBC-INIZCTEOSA-N	0	3	317.433	2.980	20	30		DFEDHN
COc1ccc(CN(CC2CC2)C(=O)C(C)C#N)c(OC)c1	ZINC000337699446	426929669	/nfs/dbraw/zinc/92/96/69/426929669.db2.gz	SLTZXGCPEBYOBX-LBPRGKRZSA-N	0	3	302.374	2.602	20	30		DFEDHN
CN1CC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1	ZINC000291632829	426934606	/nfs/dbraw/zinc/93/46/06/426934606.db2.gz	BQQDXDIVQPGXOU-CQSZACIVSA-N	0	3	310.323	2.504	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1	ZINC000247450608	426937917	/nfs/dbraw/zinc/93/79/17/426937917.db2.gz	ZGIPNVPIPZNXDP-FUHWJXTLSA-N	0	3	314.429	2.808	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000189760743	426941288	/nfs/dbraw/zinc/94/12/88/426941288.db2.gz	LVPNARHYSRMOPZ-VQIMIIECSA-N	0	3	318.461	2.852	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000329151488	427055322	/nfs/dbraw/zinc/05/53/22/427055322.db2.gz	SJTOFYQXHJFHMA-UHFFFAOYSA-N	0	3	319.453	2.533	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C	ZINC000276420089	427062847	/nfs/dbraw/zinc/06/28/47/427062847.db2.gz	MLLNGFAWJPOPFV-CQSZACIVSA-N	0	3	303.406	2.848	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)N1[C@H](C)CC[C@@H]1C	ZINC000329149303	427055764	/nfs/dbraw/zinc/05/57/64/427055764.db2.gz	QMYTUTCHLCFGAU-YCCFLXJFSA-N	0	3	310.438	2.542	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@H]1COc2ccccc2O1	ZINC000329178116	427058103	/nfs/dbraw/zinc/05/81/03/427058103.db2.gz	CNYOFSFOVGJSPN-XJKSGUPXSA-N	0	3	304.390	2.657	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H]1COc2ccccc2O1	ZINC000329177226	427058145	/nfs/dbraw/zinc/05/81/45/427058145.db2.gz	NBDCLAVHIQZCLI-CXAGYDPISA-N	0	3	316.401	2.800	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3ccc(C)cc32)N(C)C1	ZINC000292019674	427059309	/nfs/dbraw/zinc/05/93/09/427059309.db2.gz	SQHXFLVLHJZGDZ-HOTGVXAUSA-N	0	3	324.428	2.570	20	30		DFEDHN
C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000268587757	427060703	/nfs/dbraw/zinc/06/07/03/427060703.db2.gz	FAURJXZPTOLTPI-GUYCJALGSA-N	0	3	324.380	2.714	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)CCN1C	ZINC000328763881	426997092	/nfs/dbraw/zinc/99/70/92/426997092.db2.gz	GAACYEQGTWGYHB-NQBHXWOUSA-N	0	3	309.435	2.782	20	30		DFEDHN
C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O	ZINC000328806882	426997628	/nfs/dbraw/zinc/99/76/28/426997628.db2.gz	MAWQJGZUFRMQSU-MWQQHZPXSA-N	0	3	318.417	2.525	20	30		DFEDHN
CCN1CCN(C[C@H](C)CNc2cccc(Cl)c2C#N)CC1	ZINC000295556845	427005250	/nfs/dbraw/zinc/00/52/50/427005250.db2.gz	PYEHNLIBLKTHQQ-CQSZACIVSA-N	0	3	320.868	2.897	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OC2CCC2)c1	ZINC000328900906	427009083	/nfs/dbraw/zinc/00/90/83/427009083.db2.gz	YLFPSVHYDOGZFH-MLGOLLRUSA-N	0	3	315.417	2.800	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1sccc1C#N	ZINC000182090903	427012467	/nfs/dbraw/zinc/01/24/67/427012467.db2.gz	COACQXINUYCRMQ-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1sccc1C#N	ZINC000182090884	427014102	/nfs/dbraw/zinc/01/41/02/427014102.db2.gz	COACQXINUYCRMQ-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
COc1ccc(CN2CCCN(c3cc(C#N)ccn3)CC2)cc1	ZINC000283490587	427023904	/nfs/dbraw/zinc/02/39/04/427023904.db2.gz	HUHQDMHABOIQJX-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1noc(C2CC2)n1)N1CCCCC1	ZINC000329028334	427029002	/nfs/dbraw/zinc/02/90/02/427029002.db2.gz	OWHNEJQXELFUQM-CQSZACIVSA-N	0	3	306.410	2.914	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000268485538	427032181	/nfs/dbraw/zinc/03/21/81/427032181.db2.gz	PXIBOUHLWBUDMO-ROUUACIJSA-N	0	3	316.445	2.598	20	30		DFEDHN
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000329060065	427034010	/nfs/dbraw/zinc/03/40/10/427034010.db2.gz	NGNSRPWIBCQFGW-LLVKDONJSA-N	0	3	312.364	2.631	20	30		DFEDHN
Cc1nc([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)n[nH]1	ZINC000268498202	427034308	/nfs/dbraw/zinc/03/43/08/427034308.db2.gz	RQEDDYZMVPQGBS-OAHLLOKOSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1n[nH]c([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)n1	ZINC000268498202	427034311	/nfs/dbraw/zinc/03/43/11/427034311.db2.gz	RQEDDYZMVPQGBS-OAHLLOKOSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)[nH]1	ZINC000268498202	427034317	/nfs/dbraw/zinc/03/43/17/427034317.db2.gz	RQEDDYZMVPQGBS-OAHLLOKOSA-N	0	3	314.820	2.998	20	30		DFEDHN
CCn1nccc1CCN1CCCN(c2ccccc2C#N)CC1	ZINC000276354113	427043133	/nfs/dbraw/zinc/04/31/33/427043133.db2.gz	XAWAMMDDTSQXLU-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
CC1(C)C[C@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000329140070	427051769	/nfs/dbraw/zinc/05/17/69/427051769.db2.gz	JEYZVUVSMSJMDS-HNNXBMFYSA-N	0	3	316.449	2.848	20	30		DFEDHN
CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000329142507	427052410	/nfs/dbraw/zinc/05/24/10/427052410.db2.gz	LHGRHPNATHERQQ-SOUVJXGZSA-N	0	3	309.454	2.607	20	30		DFEDHN
Cc1ncoc1C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000329149865	427055007	/nfs/dbraw/zinc/05/50/07/427055007.db2.gz	RACHEBWGOVHVPM-UHFFFAOYSA-N	0	3	300.362	2.599	20	30		DFEDHN
CN1CC=C(CNC(=O)c2cnc([C@H]3CCCO3)s2)CC1	ZINC000329221295	427067874	/nfs/dbraw/zinc/06/78/74/427067874.db2.gz	UPGBLCBVXYECHW-GFCCVEGCSA-N	0	3	307.419	2.561	20	30		DFEDHN
Cc1ccc(OCCN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000268615073	427069210	/nfs/dbraw/zinc/06/92/10/427069210.db2.gz	LVRLGHZMZMGVIN-LJQANCHMSA-N	0	3	310.397	2.911	20	30		DFEDHN
CN(CCCOc1cccc(C#N)c1)[C@H](CO)c1ccccc1	ZINC000268625700	427070762	/nfs/dbraw/zinc/07/07/62/427070762.db2.gz	AXGBLJBUBYDMCH-LJQANCHMSA-N	0	3	310.397	2.993	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc3nsnc3c2)CN1C1CC1	ZINC000329230145	427070845	/nfs/dbraw/zinc/07/08/45/427070845.db2.gz	JUGJCSYVBVYYLA-MWLCHTKSSA-N	0	3	302.403	2.621	20	30		DFEDHN
CO[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292052623	427071575	/nfs/dbraw/zinc/07/15/75/427071575.db2.gz	BIHNCQGSRSJZLE-MSOLQXFVSA-N	0	3	323.396	2.794	20	30		DFEDHN
N#Cc1cccc(OCCN2CCOC[C@@H](C3CCC3)C2)c1	ZINC000292052273	427072766	/nfs/dbraw/zinc/07/27/66/427072766.db2.gz	BSABMCOZOLTQMC-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
CCc1noc(CC)c1CC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329265760	427075155	/nfs/dbraw/zinc/07/51/55/427075155.db2.gz	CMDPWIDPLMGGCC-GFCCVEGCSA-N	0	3	305.422	2.949	20	30		DFEDHN
O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CCCOCC1	ZINC000329272406	427078501	/nfs/dbraw/zinc/07/85/01/427078501.db2.gz	JQNDXHMCRHEYAO-HNNXBMFYSA-N	0	3	310.438	2.547	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C1CCCC1)C2	ZINC000329292784	427084474	/nfs/dbraw/zinc/08/44/74/427084474.db2.gz	RHOLPAOIDHLBSV-CYBMUJFWSA-N	0	3	304.438	2.942	20	30		DFEDHN
C[C@H](CC(=O)N(C)C[C@@H]1CCCN(C)C1)NC(=O)C1CCCC1	ZINC000329300648	427085465	/nfs/dbraw/zinc/08/54/65/427085465.db2.gz	MOOWLBXUBHTKCP-HUUCEWRRSA-N	0	3	323.481	2.712	20	30		DFEDHN
C=CCC[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccco1	ZINC000276511033	427088295	/nfs/dbraw/zinc/08/82/95/427088295.db2.gz	ZEXPTHBLIRQWCE-CABCVRRESA-N	0	3	307.390	2.799	20	30		DFEDHN
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@H]12	ZINC000182506467	427091458	/nfs/dbraw/zinc/09/14/58/427091458.db2.gz	ZWNDDWKINKYFQJ-OAGGEKHMSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1nccs1	ZINC000329325943	427092457	/nfs/dbraw/zinc/09/24/57/427092457.db2.gz	WJNPSYZTIZSLKA-YPMHNXCESA-N	0	3	308.451	2.748	20	30		DFEDHN
C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)C1=CCN(C)CC1	ZINC000329339377	427096405	/nfs/dbraw/zinc/09/64/05/427096405.db2.gz	NQHWTSFVKJNNBQ-HLLBOEOZSA-N	0	3	323.481	2.736	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1=CCN(C)CC1	ZINC000329356372	427099683	/nfs/dbraw/zinc/09/96/83/427099683.db2.gz	WEWOZBPZHLZDIZ-HOCLYGCPSA-N	0	3	321.465	2.632	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1oc2ccc(OC)cc2c1C	ZINC000268778819	427111616	/nfs/dbraw/zinc/11/16/16/427111616.db2.gz	BIIOQNQVFQTGMW-ZDUSSCGKSA-N	0	3	314.385	2.540	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000249459596	427116497	/nfs/dbraw/zinc/11/64/97/427116497.db2.gz	ONEICNKMHDBXCP-JKSUJKDBSA-N	0	3	313.445	2.804	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCO1	ZINC000329431553	427116832	/nfs/dbraw/zinc/11/68/32/427116832.db2.gz	HWLNVXYQTNERGF-KLZNWCGWSA-N	0	3	323.481	2.709	20	30		DFEDHN
C=CCOCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268593672	427064096	/nfs/dbraw/zinc/06/40/96/427064096.db2.gz	SQWWYOBGAIOZMM-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1	ZINC000329508897	427131027	/nfs/dbraw/zinc/13/10/27/427131027.db2.gz	BIZFMIKVXIJETA-VNQPRFMTSA-N	0	3	319.453	2.579	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C2	ZINC000329520212	427131511	/nfs/dbraw/zinc/13/15/11/427131511.db2.gz	OIFALHPSMYUMRP-DZKIICNBSA-N	0	3	318.465	2.831	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cn(C(C)(C)C)nn1)C(C)C	ZINC000276996897	427132217	/nfs/dbraw/zinc/13/22/17/427132217.db2.gz	XUSGYIAVAPNJFK-QGZVFWFLSA-N	0	3	319.497	2.821	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000292206129	427133026	/nfs/dbraw/zinc/13/30/26/427133026.db2.gz	AUYSULQSEOMHTR-AWEZNQCLSA-N	0	3	311.429	2.813	20	30		DFEDHN
O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@@H](C1CC1)N1CCCC1	ZINC000329523240	427133433	/nfs/dbraw/zinc/13/34/33/427133433.db2.gz	PVQTYEXNXQKYOB-HZPDHXFCSA-N	0	3	322.449	2.546	20	30		DFEDHN
C#CCCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190596465	427145348	/nfs/dbraw/zinc/14/53/48/427145348.db2.gz	ODWJFQQKFOIMRL-GOSISDBHSA-N	0	3	313.445	2.556	20	30		DFEDHN
CCc1ccc([C@H](CNCc2cc(C#N)n(C)c2)N(C)C)cc1	ZINC000190670035	427157522	/nfs/dbraw/zinc/15/75/22/427157522.db2.gz	OVKLOUMRLVSZJC-IBGZPJMESA-N	0	3	310.445	2.852	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](C)[C@@H](OC)C1	ZINC000251947022	427165823	/nfs/dbraw/zinc/16/58/23/427165823.db2.gz	VBAUAWYNYPRICW-SUMDDJOVSA-N	0	3	319.445	2.512	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nnc1-c1ccc(F)cc1	ZINC000253572773	427217773	/nfs/dbraw/zinc/21/77/73/427217773.db2.gz	QOVNPFHGJUFNRC-UHFFFAOYSA-N	0	3	306.410	2.924	20	30		DFEDHN
Cc1cc(N2CCN(C)CC2)ccc1NCc1cc(C#N)n(C)c1	ZINC000190807216	427181715	/nfs/dbraw/zinc/18/17/15/427181715.db2.gz	BUFAYKZPLJVUMT-UHFFFAOYSA-N	0	3	323.444	2.569	20	30		DFEDHN
CC(C)O[C@@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000296502577	427201684	/nfs/dbraw/zinc/20/16/84/427201684.db2.gz	ZFTFSSOPOISNDF-HZPDHXFCSA-N	0	3	315.417	2.678	20	30		DFEDHN
C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000183113521	427202210	/nfs/dbraw/zinc/20/22/10/427202210.db2.gz	DPEZKRXUNFETNK-ZIBATOQPSA-N	0	3	321.808	2.696	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2c1	ZINC000330183329	427203362	/nfs/dbraw/zinc/20/33/62/427203362.db2.gz	PVXPIHAPKGYPTE-UKRRQHHQSA-N	0	3	306.413	2.874	20	30		DFEDHN
Cc1ccc([C@H](CNCc2cc(C#N)n(C)c2)N2CCCC2)o1	ZINC000190921774	427203736	/nfs/dbraw/zinc/20/37/36/427203736.db2.gz	JBUYDNFIFOFAJM-KRWDZBQOSA-N	0	3	312.417	2.725	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285339010	427210516	/nfs/dbraw/zinc/21/05/16/427210516.db2.gz	KKGPGQFMXBSYTJ-UHFFFAOYSA-N	0	3	303.793	2.592	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1F	ZINC000330370258	427222082	/nfs/dbraw/zinc/22/20/82/427222082.db2.gz	DXXQUFPPFIHRTF-HNNXBMFYSA-N	0	3	308.397	2.532	20	30		DFEDHN
COc1ccc(F)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1OC	ZINC000330394062	427227614	/nfs/dbraw/zinc/22/76/14/427227614.db2.gz	QVGWJFORXDCNBE-GHMZBOCLSA-N	0	3	310.369	2.630	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(CCCC)c2CC)CC1	ZINC000277573760	427248186	/nfs/dbraw/zinc/24/81/86/427248186.db2.gz	XXKOZSRFQVTDFS-UHFFFAOYSA-N	0	3	318.465	2.626	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cc(C(C)(C)C)nn2C)C1	ZINC000330554872	427265007	/nfs/dbraw/zinc/26/50/07/427265007.db2.gz	VKBUSEOXIIXUEZ-ZDUSSCGKSA-N	0	3	306.454	2.754	20	30		DFEDHN
COc1ccc(CN(C)C[C@H](O)Cc2ccccc2)cc1C#N	ZINC000293356730	427299024	/nfs/dbraw/zinc/29/90/24/427299024.db2.gz	NZZVSSNKKHHTBA-GOSISDBHSA-N	0	3	310.397	2.602	20	30		DFEDHN
CCCCn1ncc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1C	ZINC000330781275	427301861	/nfs/dbraw/zinc/30/18/61/427301861.db2.gz	FORUPQXUZIMKEM-ZDUSSCGKSA-N	0	3	319.453	2.968	20	30		DFEDHN
CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1F	ZINC000330892183	427312947	/nfs/dbraw/zinc/31/29/47/427312947.db2.gz	DBBVGJNIMURIKX-ZWNOBZJWSA-N	0	3	307.369	2.571	20	30		DFEDHN
CC[C@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(F)c1	ZINC000191299906	427313832	/nfs/dbraw/zinc/31/38/32/427313832.db2.gz	AUWVHLDQMUQZEE-MRXNPFEDSA-N	0	3	301.365	2.983	20	30		DFEDHN
CCOc1ncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1Cl	ZINC000330920345	427316912	/nfs/dbraw/zinc/31/69/12/427316912.db2.gz	ZKWCCJWQHKPVHP-ZYHUDNBSSA-N	0	3	311.813	2.921	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1-n1cccn1	ZINC000191321246	427319999	/nfs/dbraw/zinc/31/99/99/427319999.db2.gz	PVFZLWKFYOFVOR-CQSZACIVSA-N	0	3	305.385	2.933	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C	ZINC000331032280	427327333	/nfs/dbraw/zinc/32/73/33/427327333.db2.gz	UUSAXOPYVAOTOF-ZDUSSCGKSA-N	0	3	315.417	2.908	20	30		DFEDHN
Cc1ccn(-c2ccccc2CNCc2cc(C#N)n(C)c2)n1	ZINC000191355399	427328726	/nfs/dbraw/zinc/32/87/26/427328726.db2.gz	HLVVTRSVSKAGAK-UHFFFAOYSA-N	0	3	305.385	2.681	20	30		DFEDHN
CCC1(CC)[C@@H](NCC(=O)Nc2sccc2C#N)C[C@@H]1OC	ZINC000191369975	427332433	/nfs/dbraw/zinc/33/24/33/427332433.db2.gz	YVXIBIMGDZYHAH-STQMWFEESA-N	0	3	321.446	2.742	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1cc(C#N)n(C)c1	ZINC000191393877	427339051	/nfs/dbraw/zinc/33/90/51/427339051.db2.gz	LEFZHDOHTQDABW-QGZVFWFLSA-N	0	3	322.456	2.993	20	30		DFEDHN
COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1C	ZINC000331083602	427341065	/nfs/dbraw/zinc/34/10/65/427341065.db2.gz	NBKHRLKFRIZMQI-GXFFZTMASA-N	0	3	321.377	2.699	20	30		DFEDHN
C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1Br	ZINC000331133866	427353476	/nfs/dbraw/zinc/35/34/76/427353476.db2.gz	CBLYLSAQRGHYET-GJZGRUSLSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@H]2c2ccncc2)cc1	ZINC000261947239	427345736	/nfs/dbraw/zinc/34/57/36/427345736.db2.gz	FMEXNQCUADMZMW-IBGZPJMESA-N	0	3	309.413	2.793	20	30		DFEDHN
CC[C@@H](C)n1nc(NC(=O)NCCN2CCC(C)CC2)cc1C	ZINC000330676636	427290483	/nfs/dbraw/zinc/29/04/83/427290483.db2.gz	APJKYUYQFQHWQX-CQSZACIVSA-N	0	3	321.469	3.220	20	30		DFEDHN
Cn1cc(CNCCc2ccn(-c3ccc(F)cc3)n2)cc1C#N	ZINC000191222884	427291967	/nfs/dbraw/zinc/29/19/67/427291967.db2.gz	OQGCEPHYUBXRJR-UHFFFAOYSA-N	0	3	323.375	2.554	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)c1ncc(Br)cc1C#N	ZINC000297642110	427419218	/nfs/dbraw/zinc/41/92/18/427419218.db2.gz	XXGLCUXZGBRXSG-CYBMUJFWSA-N	0	3	323.238	2.636	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000297361027	427403215	/nfs/dbraw/zinc/40/32/15/427403215.db2.gz	IMQCSCBQOHTJHX-OAHLLOKOSA-N	0	3	307.463	2.796	20	30		DFEDHN
C#CCCOc1ccc(CN(CCCOC)CCOC)cc1	ZINC000271140319	427416355	/nfs/dbraw/zinc/41/63/55/427416355.db2.gz	WMXMCUFUAPTMOJ-UHFFFAOYSA-N	0	3	305.418	2.574	20	30		DFEDHN
COc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1C#N	ZINC000293580087	427369153	/nfs/dbraw/zinc/36/91/53/427369153.db2.gz	HRPGNEQKCZUBCR-SFHVURJKSA-N	0	3	312.413	2.958	20	30		DFEDHN
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN2C2CCCC2)c1	ZINC000331629688	427462042	/nfs/dbraw/zinc/46/20/42/427462042.db2.gz	PZQDLRJILQCYGF-KRWDZBQOSA-N	0	3	315.392	2.721	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)oc1C	ZINC000286247062	427466663	/nfs/dbraw/zinc/46/66/63/427466663.db2.gz	OYWBMZDOTWZWFU-UHFFFAOYSA-N	0	3	303.406	2.798	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)OC)CC1	ZINC000184284403	427429794	/nfs/dbraw/zinc/42/97/94/427429794.db2.gz	BYBIIXJJQJUIAW-UHFFFAOYSA-N	0	3	317.433	2.800	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000286158939	427440936	/nfs/dbraw/zinc/44/09/36/427440936.db2.gz	PGKICEQCLGAUAA-CYBMUJFWSA-N	0	3	305.809	2.768	20	30		DFEDHN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cn2ccccc2c1C#N	ZINC000286325327	427493640	/nfs/dbraw/zinc/49/36/40/427493640.db2.gz	DMIDKUCDZHDJKU-XBRIKIQZSA-N	0	3	307.397	2.666	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CC[C@H](N2CCCCC2)C1	ZINC000338799411	427496704	/nfs/dbraw/zinc/49/67/04/427496704.db2.gz	HTNGYIRYKBNTBU-INIZCTEOSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=C(CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1ccccc1	ZINC000298000995	427499264	/nfs/dbraw/zinc/49/92/64/427499264.db2.gz	OBSXGLUGIYKVID-IBGZPJMESA-N	0	3	313.445	2.827	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000278923855	427503179	/nfs/dbraw/zinc/50/31/79/427503179.db2.gz	KSUOEQASGTXFSQ-QGZVFWFLSA-N	0	3	306.413	2.585	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1	ZINC000271421121	427531826	/nfs/dbraw/zinc/53/18/26/427531826.db2.gz	MDFMANHILLCGPK-SFHVURJKSA-N	0	3	315.413	2.864	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1	ZINC000271482287	427555704	/nfs/dbraw/zinc/55/57/04/427555704.db2.gz	SRJYCYYCDHKMTI-UHFFFAOYSA-N	0	3	303.362	2.882	20	30		DFEDHN
C#CCSCCN[C@@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000271440723	427539327	/nfs/dbraw/zinc/53/93/27/427539327.db2.gz	DFDZGEARGTZTPI-AWEZNQCLSA-N	0	3	323.458	2.737	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1	ZINC000271465790	427550967	/nfs/dbraw/zinc/55/09/67/427550967.db2.gz	QKXKDYASAKJTRC-UHFFFAOYSA-N	0	3	319.361	2.582	20	30		DFEDHN
COc1cc2c(cc1OC)CCN([C@H]1CC[C@H](C#N)C1)CC2	ZINC000338927092	427564316	/nfs/dbraw/zinc/56/43/16/427564316.db2.gz	WIOMYRBTBKGBJR-BBRMVZONSA-N	0	3	300.402	2.797	20	30		DFEDHN
CSc1ccc([C@H](CNc2nccnc2C#N)N(C)C)cc1	ZINC000294156224	427565783	/nfs/dbraw/zinc/56/57/83/427565783.db2.gz	RGOSPSIDYKGVRI-HNNXBMFYSA-N	0	3	313.430	2.785	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](OCCOC)C1	ZINC000338957370	427588008	/nfs/dbraw/zinc/58/80/08/427588008.db2.gz	NLKBYADCSORLGX-KRWDZBQOSA-N	0	3	305.418	2.879	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CNC1(c2cccc(C#N)c2)CC1	ZINC000271826782	427588706	/nfs/dbraw/zinc/58/87/06/427588706.db2.gz	TUBVNMJHKWHMRM-SFHVURJKSA-N	0	3	322.408	2.885	20	30		DFEDHN
CCn1cnnc1[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000332361803	427592993	/nfs/dbraw/zinc/59/29/93/427592993.db2.gz	VBKDMCIBAWWCRS-KRWDZBQOSA-N	0	3	309.417	2.858	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@@H](CCO)c2ccco2)c1	ZINC000185106926	427594827	/nfs/dbraw/zinc/59/48/27/427594827.db2.gz	MSNPSJSMCYNAQH-INIZCTEOSA-N	0	3	300.358	2.633	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1C	ZINC000263873361	427598573	/nfs/dbraw/zinc/59/85/73/427598573.db2.gz	HGGVAOMCOMNVHP-KRWDZBQOSA-N	0	3	314.433	2.572	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCC[C@H]2CCO)c(Br)c1	ZINC000279219763	427601601	/nfs/dbraw/zinc/60/16/01/427601601.db2.gz	HVYHFCLQJZHJSG-WFASDCNBSA-N	0	3	323.234	2.961	20	30		DFEDHN
N#CCCOCCN1CC[C@H](OCCCc2ccccc2)C1	ZINC000339015646	427626533	/nfs/dbraw/zinc/62/65/33/427626533.db2.gz	AHMXMPFGEWGWFM-SFHVURJKSA-N	0	3	302.418	2.640	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21	ZINC000332750256	427626632	/nfs/dbraw/zinc/62/66/32/427626632.db2.gz	ZRSKHAOVJDSYEL-BSDSXHPESA-N	0	3	312.413	2.833	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C	ZINC000263986239	427627280	/nfs/dbraw/zinc/62/72/80/427627280.db2.gz	ICFZYIPRSULFDW-CYBMUJFWSA-N	0	3	305.381	2.928	20	30		DFEDHN
C=CCCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000279294806	427629238	/nfs/dbraw/zinc/62/92/38/427629238.db2.gz	MURLNWKAXPZGMF-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
Cc1ncc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000279304847	427631808	/nfs/dbraw/zinc/63/18/08/427631808.db2.gz	MOGQWDDYLQYHJA-OAHLLOKOSA-N	0	3	324.409	2.664	20	30		DFEDHN
C=C(C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1	ZINC000279314918	427636738	/nfs/dbraw/zinc/63/67/38/427636738.db2.gz	NMDSYIXPYPZGHI-UHFFFAOYSA-N	0	3	300.362	2.870	20	30		DFEDHN
N#CCCOCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1	ZINC000339042770	427642334	/nfs/dbraw/zinc/64/23/34/427642334.db2.gz	BAJMJOWFFUPAKJ-INIZCTEOSA-N	0	3	304.365	2.793	20	30		DFEDHN
CC(C)(C)[C@@H](CO)NCc1cc(C#N)ccc1Br	ZINC000193096953	427666104	/nfs/dbraw/zinc/66/61/04/427666104.db2.gz	IMAICJGYOSBWTB-CYBMUJFWSA-N	0	3	311.223	2.817	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)[C@H]2C1	ZINC000272180852	427662502	/nfs/dbraw/zinc/66/25/02/427662502.db2.gz	KIMVNPJMLQXXIV-PWSUYJOCSA-N	0	3	310.323	2.502	20	30		DFEDHN
COc1ccc([C@@H](CN(C)C)NC(=O)c2cccc(C#N)c2)cc1	ZINC000342656562	272037555	/nfs/dbraw/zinc/03/75/55/272037555.db2.gz	BWRVHAOUQYECTL-GOSISDBHSA-N	0	3	323.396	2.600	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@H]1NCc1ccc(C#N)cc1	ZINC000343405197	272139122	/nfs/dbraw/zinc/13/91/22/272139122.db2.gz	ZYYUVENMRFHNRW-AEFFLSMTSA-N	0	3	310.401	2.955	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)CSc1ccc(C#N)cc1	ZINC000343564097	272171102	/nfs/dbraw/zinc/17/11/02/272171102.db2.gz	GYOOCZTWUGJCGV-OAHLLOKOSA-N	0	3	317.458	2.641	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccn1	ZINC000287718848	427676442	/nfs/dbraw/zinc/67/64/42/427676442.db2.gz	LBIYMDPPQSLEBO-IBGZPJMESA-N	0	3	322.412	2.656	20	30		DFEDHN
Cc1nsc(N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1C#N	ZINC000287965258	427723062	/nfs/dbraw/zinc/72/30/62/427723062.db2.gz	ZGIKQEZZULIIPL-IYBDPMFKSA-N	0	3	324.453	2.891	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000339132314	427693440	/nfs/dbraw/zinc/69/34/40/427693440.db2.gz	HROXUPPJVHXZOG-ZWKOTPCHSA-N	0	3	319.445	2.656	20	30		DFEDHN
C[C@@H](O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272280911	427695258	/nfs/dbraw/zinc/69/52/58/427695258.db2.gz	MRXGGJLEGHIJCQ-CQSZACIVSA-N	0	3	324.428	2.552	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)COCc1cccs1	ZINC000272311659	427704372	/nfs/dbraw/zinc/70/43/72/427704372.db2.gz	RQGFXWCDKXKWLH-OAHLLOKOSA-N	0	3	321.442	2.949	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)COCC(C)C	ZINC000298787998	427704910	/nfs/dbraw/zinc/70/49/10/427704910.db2.gz	QEXMMRBDPCZWNE-QGZVFWFLSA-N	0	3	307.434	2.717	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1cccc(C#N)c1	ZINC000295142077	427710127	/nfs/dbraw/zinc/71/01/27/427710127.db2.gz	QATNXLHAEXLBES-ZSHCYNCHSA-N	0	3	313.401	2.513	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@](C)(O)CC2)cc(OC)c1O	ZINC000279605922	427712715	/nfs/dbraw/zinc/71/27/15/427712715.db2.gz	FBZAAYULDSQMML-GOSISDBHSA-N	0	3	305.418	2.866	20	30		DFEDHN
COCC1=CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000185839820	427716067	/nfs/dbraw/zinc/71/60/67/427716067.db2.gz	JMRXEFSQGAJZFY-UHFFFAOYSA-N	0	3	322.412	2.737	20	30		DFEDHN
CN(CCCCC(C)(C)C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000336845343	427756607	/nfs/dbraw/zinc/75/66/07/427756607.db2.gz	LANSGYRMVJWQEV-LSDHHAIUSA-N	0	3	314.495	2.994	20	30		DFEDHN
CCN1CC[C@@H]2OCCN(Cc3ccc(C#N)cc3Cl)[C@H]2C1	ZINC000339389335	427765240	/nfs/dbraw/zinc/76/52/40/427765240.db2.gz	GAMGSQVXXKGMMI-IRXDYDNUSA-N	0	3	319.836	2.507	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CCCCC1	ZINC000299438746	427765862	/nfs/dbraw/zinc/76/58/62/427765862.db2.gz	GEZHOLHGSQJMOJ-ZDUSSCGKSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCCCC3)CC2)c1	ZINC000301355411	427791502	/nfs/dbraw/zinc/79/15/02/427791502.db2.gz	LUPQDXWAEAUKHT-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)[C@@H]2C1	ZINC000337030289	427789764	/nfs/dbraw/zinc/78/97/64/427789764.db2.gz	XXYFNVOFKPFSRA-ZWNOBZJWSA-N	0	3	310.323	2.502	20	30		DFEDHN
CC(C)CSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279974201	427726936	/nfs/dbraw/zinc/72/69/36/427726936.db2.gz	HUHWYUVUDDSJRO-INIZCTEOSA-N	0	3	315.442	2.746	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000185980211	427738689	/nfs/dbraw/zinc/73/86/89/427738689.db2.gz	ARJBNFLPMYEPPM-UHFFFAOYSA-N	0	3	317.437	2.673	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194425122	427742957	/nfs/dbraw/zinc/74/29/57/427742957.db2.gz	FOBHCYOFEMRALX-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
CCN(C[C@@H](O)COCC(C)C)[C@@H](C)c1ccc(C#N)cc1	ZINC000299075538	427746585	/nfs/dbraw/zinc/74/65/85/427746585.db2.gz	DHQSUZSISQQYDS-MAUKXSAKSA-N	0	3	304.434	2.975	20	30		DFEDHN
CN(C)CCN(C(=O)CNc1ccc(C#N)cc1)c1ccccc1	ZINC000339281501	427749909	/nfs/dbraw/zinc/74/99/09/427749909.db2.gz	QISHKSJLQJFFPO-UHFFFAOYSA-N	0	3	322.412	2.565	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H](C)N1C	ZINC000339619371	427801846	/nfs/dbraw/zinc/80/18/46/427801846.db2.gz	MJRAIHZQMKFEQU-VXGBXAGGSA-N	0	3	309.360	2.684	20	30		DFEDHN
CC(C)CN(CCN1CCOC[C@H]1C)Cc1ccc(C#N)cc1	ZINC000337147893	427805756	/nfs/dbraw/zinc/80/57/56/427805756.db2.gz	ZNJPPGIKJNONNS-QGZVFWFLSA-N	0	3	315.461	2.737	20	30		DFEDHN
COC(=O)CN(CCCC1(C#N)CCOCC1)C1CCCC1	ZINC000337153820	427806143	/nfs/dbraw/zinc/80/61/43/427806143.db2.gz	MKBOZEWHXKXLGV-UHFFFAOYSA-N	0	3	308.422	2.505	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@@H](OCC)C23CCCCC3)C1=O	ZINC000337188550	427812466	/nfs/dbraw/zinc/81/24/66/427812466.db2.gz	QHZTXHYKOHDPEE-YESZJQIVSA-N	0	3	320.477	2.833	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CCCc2ccc(Cl)cc2)C1=O	ZINC000337239905	427820783	/nfs/dbraw/zinc/82/07/83/427820783.db2.gz	ZYVCFLRNYYUDPJ-INIZCTEOSA-N	0	3	306.837	2.991	20	30		DFEDHN
C=CCCC1(C(=O)NCc2cccc(OCCN(C)C)c2)CC1	ZINC000355619673	427834181	/nfs/dbraw/zinc/83/41/81/427834181.db2.gz	JFIGAJUZBUYYGC-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC(C)(C)CCC#N	ZINC000355645093	427835821	/nfs/dbraw/zinc/83/58/21/427835821.db2.gz	XCFPXXKNIZQMEI-AWEZNQCLSA-N	0	3	308.470	2.736	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OC)C1(CC)CC	ZINC000359422524	427845738	/nfs/dbraw/zinc/84/57/38/427845738.db2.gz	LKFPGUOWJOTIOB-XHSDSOJGSA-N	0	3	310.482	2.983	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000355681656	427847067	/nfs/dbraw/zinc/84/70/67/427847067.db2.gz	ZBEMYNBHKUIERC-KRWDZBQOSA-N	0	3	301.434	2.874	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C1(CC)CC	ZINC000359430500	427848354	/nfs/dbraw/zinc/84/83/54/427848354.db2.gz	JKNGGTNWFUCVBE-ARFHVFGLSA-N	0	3	308.466	2.759	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@H](OC)C1(CC)CC	ZINC000359430502	427848939	/nfs/dbraw/zinc/84/89/39/427848939.db2.gz	JKNGGTNWFUCVBE-HRCADAONSA-N	0	3	308.466	2.759	20	30		DFEDHN
CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1	ZINC000302711966	427856133	/nfs/dbraw/zinc/85/61/33/427856133.db2.gz	IHJPWBBDTCKAAR-HNNXBMFYSA-N	0	3	311.345	2.576	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCCC[C@@H]1C	ZINC000355794961	427897106	/nfs/dbraw/zinc/89/71/06/427897106.db2.gz	ZUBGAYMSMIWMQR-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN1CCN(CCOc2ccccc2C#N)Cc2ccccc21	ZINC000340652093	427916901	/nfs/dbraw/zinc/91/69/01/427916901.db2.gz	YBDVHZANJDORBO-UHFFFAOYSA-N	0	3	307.397	2.889	20	30		DFEDHN
Cc1cccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000349986292	427917212	/nfs/dbraw/zinc/91/72/12/427917212.db2.gz	WXXNICJQKGJEIM-QGZVFWFLSA-N	0	3	318.380	2.603	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H](CCCO)c3ccccc3)n2c1	ZINC000304284734	427923893	/nfs/dbraw/zinc/92/38/93/427923893.db2.gz	KRJBOKOXXWWVIS-SFHVURJKSA-N	0	3	320.396	2.809	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)nc1	ZINC000345951761	427963004	/nfs/dbraw/zinc/96/30/04/427963004.db2.gz	GRHVHMZOSVVNAK-UHFFFAOYSA-N	0	3	314.433	2.680	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCOc2c(Br)cccc21	ZINC000337571551	427963904	/nfs/dbraw/zinc/96/39/04/427963904.db2.gz	ZJDYGXITUNNLKJ-GZMMTYOYSA-N	0	3	309.163	2.549	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000340245054	427965897	/nfs/dbraw/zinc/96/58/97/427965897.db2.gz	ASQHGKCCCLGIPU-NSHDSACASA-N	0	3	306.797	2.770	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)C(F)(F)F)C(C)C	ZINC000350734892	427968179	/nfs/dbraw/zinc/96/81/79/427968179.db2.gz	CHIZXXAUFMFZDU-CHWSQXEVSA-N	0	3	321.387	2.935	20	30		DFEDHN
C=CCn1c(CC2CCCC2)nnc1N1CCCN(CC)CC1	ZINC000350803995	427974790	/nfs/dbraw/zinc/97/47/90/427974790.db2.gz	WTPMCXAQKCDQGH-UHFFFAOYSA-N	0	3	317.481	2.729	20	30		DFEDHN
CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C2CC2)C1	ZINC000356007685	427981222	/nfs/dbraw/zinc/98/12/22/427981222.db2.gz	WIGXRFLSBLESOC-QGZVFWFLSA-N	0	3	311.429	2.796	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1)c1ncc(C#N)cc1F	ZINC000413193566	427985214	/nfs/dbraw/zinc/98/52/14/427985214.db2.gz	PFCXMANZUULVOZ-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(OCCCC)CC2)CC1	ZINC000341086647	427986935	/nfs/dbraw/zinc/98/69/35/427986935.db2.gz	HXEBRNFRMQRGQO-UHFFFAOYSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000369532381	427991494	/nfs/dbraw/zinc/99/14/94/427991494.db2.gz	SQVWKUKMYZLDEK-UKRRQHHQSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)[C@H](C)c1ccc(Cl)cc1	ZINC000350216012	427937613	/nfs/dbraw/zinc/93/76/13/427937613.db2.gz	FSYYOMBBKOYCML-MNOVXSKESA-N	0	3	315.822	2.507	20	30		DFEDHN
CCN1CCN(c2ccccc2CN[C@H]2CCC[C@H]2C#N)CC1	ZINC000350454824	427939229	/nfs/dbraw/zinc/93/92/29/427939229.db2.gz	FYVSJSRKXRVINZ-WMZOPIPTSA-N	0	3	312.461	2.610	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000340850341	427941219	/nfs/dbraw/zinc/94/12/19/427941219.db2.gz	MJRLTOCTWNUCTQ-CDHAZOANSA-N	0	3	315.417	2.678	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000340850344	427941396	/nfs/dbraw/zinc/94/13/96/427941396.db2.gz	MJRLTOCTWNUCTQ-WBHUJUFNSA-N	0	3	315.417	2.678	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000340850342	427941744	/nfs/dbraw/zinc/94/17/44/427941744.db2.gz	MJRLTOCTWNUCTQ-HNJNHCNJSA-N	0	3	315.417	2.678	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000359808003	428027682	/nfs/dbraw/zinc/02/76/82/428027682.db2.gz	XNWGTFUCYXBUJX-LBPRGKRZSA-N	0	3	322.380	2.839	20	30		DFEDHN
COCCOC[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356183190	428056851	/nfs/dbraw/zinc/05/68/51/428056851.db2.gz	NJBXINBPHBPDJH-NSHDSACASA-N	0	3	316.323	2.718	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CC[C@H](CC2CCCC2)C1	ZINC000369559860	428000365	/nfs/dbraw/zinc/00/03/65/428000365.db2.gz	IAZRZBSZALZSPM-QGZVFWFLSA-N	0	3	316.449	2.545	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369571121	428004135	/nfs/dbraw/zinc/00/41/35/428004135.db2.gz	VHVZEUWTEINIIX-FMKPAKJESA-N	0	3	322.474	2.838	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000369875110	428079522	/nfs/dbraw/zinc/07/95/22/428079522.db2.gz	RPWPPXNNGYGYCL-MWDXBVQZSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C(CC)CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000341588093	428116624	/nfs/dbraw/zinc/11/66/24/428116624.db2.gz	QDNKEHKFRUELFE-CQSZACIVSA-N	0	3	308.447	2.843	20	30		DFEDHN
CN(C)CCN(Cc1nc(C#N)cs1)Cc1ccccc1	ZINC000356307945	428118901	/nfs/dbraw/zinc/11/89/01/428118901.db2.gz	STNUXLJBBWBHIE-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000370102746	428134541	/nfs/dbraw/zinc/13/45/41/428134541.db2.gz	OVIBJEGCHSZXOM-OWCLPIDISA-N	0	3	324.465	2.645	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@H]2CCCc3ccccc32)C(N)=O)cc1	ZINC000360059810	428138950	/nfs/dbraw/zinc/13/89/50/428138950.db2.gz	JLXJWGWVXLNIKZ-IEBWSBKVSA-N	0	3	319.408	2.794	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CN1C1CC1	ZINC000356353190	428139131	/nfs/dbraw/zinc/13/91/31/428139131.db2.gz	LIMQOBOCEBTPCV-PVAVHDDUSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCN1CCCC1	ZINC000413821064	428140553	/nfs/dbraw/zinc/14/05/53/428140553.db2.gz	IGTZTCFDMRARHP-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)c(C#N)c1	ZINC000341659810	428145126	/nfs/dbraw/zinc/14/51/26/428145126.db2.gz	JSHRVZWNPMSMKP-OAHLLOKOSA-N	0	3	303.381	2.548	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000352588599	428160841	/nfs/dbraw/zinc/16/08/41/428160841.db2.gz	MHXOOOLRMKNQBR-UHFFFAOYSA-N	0	3	306.797	2.770	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000346416912	428162925	/nfs/dbraw/zinc/16/29/25/428162925.db2.gz	SQEKIOGXWFKCOA-FGTMMUONSA-N	0	3	311.429	2.627	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F	ZINC000413903978	428162989	/nfs/dbraw/zinc/16/29/89/428162989.db2.gz	SEISNTQUSHOBPO-ZDUSSCGKSA-N	0	3	324.396	2.686	20	30		DFEDHN
C=CCN(Cc1cncn1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000370236200	428164769	/nfs/dbraw/zinc/16/47/69/428164769.db2.gz	MYYXJOHTYOBYCU-GOSISDBHSA-N	0	3	310.445	2.683	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F	ZINC000413912267	428167399	/nfs/dbraw/zinc/16/73/99/428167399.db2.gz	IQUSNTAZHOCDGX-INIZCTEOSA-N	0	3	307.369	2.644	20	30		DFEDHN
C=CCOCCCN(C)C[C@H]1OCCN(C)[C@H]1c1ccccc1	ZINC000346454313	428178499	/nfs/dbraw/zinc/17/84/99/428178499.db2.gz	DMWJXSVQGVDDBZ-MOPGFXCFSA-N	0	3	318.461	2.583	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C#N)c1Cl	ZINC000341837015	428223437	/nfs/dbraw/zinc/22/34/37/428223437.db2.gz	ALPXCRFMNUKPIV-FRRDWIJNSA-N	0	3	306.841	3.385	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1	ZINC000370541267	428235827	/nfs/dbraw/zinc/23/58/27/428235827.db2.gz	DGRPQQHSGSVNTG-CQSZACIVSA-N	0	3	315.417	2.987	20	30		DFEDHN
C[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)c1cccc(C#N)c1	ZINC000360185551	428197067	/nfs/dbraw/zinc/19/70/67/428197067.db2.gz	ZTBXSOIFKKHGLA-QAPCUYQASA-N	0	3	311.429	2.749	20	30		DFEDHN
COC(=O)C(C)(C)CNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352822754	428266230	/nfs/dbraw/zinc/26/62/30/428266230.db2.gz	LMOXRYIFWFBHSK-UHFFFAOYSA-N	0	3	314.307	2.866	20	30		DFEDHN
CC(C)[C@H](CNCc1nc(C#N)cs1)N1CCC(C)CC1	ZINC000352833468	428271049	/nfs/dbraw/zinc/27/10/49/428271049.db2.gz	HUENXVDZZKSCRI-HNNXBMFYSA-N	0	3	306.479	2.861	20	30		DFEDHN
C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1=CCN(C)CC1	ZINC000356748867	428292626	/nfs/dbraw/zinc/29/26/26/428292626.db2.gz	VNYCUOJDGITBQL-MAUKXSAKSA-N	0	3	311.429	2.841	20	30		DFEDHN
C=CCOCCCN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000341957848	428261075	/nfs/dbraw/zinc/26/10/75/428261075.db2.gz	URPCUPRMLSVUQC-AWEZNQCLSA-N	0	3	311.447	2.724	20	30		DFEDHN
C[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000360472427	428313463	/nfs/dbraw/zinc/31/34/63/428313463.db2.gz	GGTUFIHXSJBAQZ-RHSMWYFYSA-N	0	3	313.445	2.898	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)[nH]n1	ZINC000370907505	428318455	/nfs/dbraw/zinc/31/84/55/428318455.db2.gz	JITLYOBZWJHWGI-OAHLLOKOSA-N	0	3	320.400	2.617	20	30		DFEDHN
C[C@H](C1CC1)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000346843870	428341074	/nfs/dbraw/zinc/34/10/74/428341074.db2.gz	XUVWTGVYVUAVEJ-OAHLLOKOSA-N	0	3	311.429	2.850	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1cccc2ccccc21	ZINC000360568806	428352839	/nfs/dbraw/zinc/35/28/39/428352839.db2.gz	RPVZGSBNNVYODE-WBMJQRKESA-N	0	3	310.353	2.720	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H](N3CCCC3)C2)c1C#N	ZINC000371691953	428401162	/nfs/dbraw/zinc/40/11/62/428401162.db2.gz	FAHIHZQCMWWTFO-ZDUSSCGKSA-N	0	3	304.825	2.980	20	30		DFEDHN
CC(C#N)C(=O)NC1CCN(c2nc3ccccc3s2)CC1	ZINC000347029284	428412720	/nfs/dbraw/zinc/41/27/20/428412720.db2.gz	AQYQDIPPLOUBSY-NSHDSACASA-N	0	3	314.414	2.541	20	30		DFEDHN
C=CCCN(C)CC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000342731059	428439195	/nfs/dbraw/zinc/43/91/95/428439195.db2.gz	AQUFVGAXOAMGKR-UHFFFAOYSA-N	0	3	316.445	2.702	20	30		DFEDHN
CC(C)C[C@@]1(CO)CCCN1Cc1cnc2ccc(C#N)cn12	ZINC000342703537	428439725	/nfs/dbraw/zinc/43/97/25/428439725.db2.gz	IUXFKDGQNOOCID-GOSISDBHSA-N	0	3	312.417	2.579	20	30		DFEDHN
C=CCOc1ccccc1C(=O)Nc1cnc2c(c1)CNCC2	ZINC000360814057	428449441	/nfs/dbraw/zinc/44/94/41/428449441.db2.gz	ZKZDYDSUSTYRSJ-UHFFFAOYSA-N	0	3	309.369	2.544	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000360850050	428463738	/nfs/dbraw/zinc/46/37/38/428463738.db2.gz	NOSTVDMIVYEHEC-SJORKVTESA-N	0	3	313.445	2.704	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)o1	ZINC000342844138	428468438	/nfs/dbraw/zinc/46/84/38/428468438.db2.gz	SDOSDLNMVFIMRR-GUYCJALGSA-N	0	3	312.369	2.661	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCOc2ccc(Br)cc21	ZINC000347033401	428416790	/nfs/dbraw/zinc/41/67/90/428416790.db2.gz	HDOKXSAWWAGOIO-GZMMTYOYSA-N	0	3	309.163	2.549	20	30		DFEDHN
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C(C)C#N)cc1	ZINC000347050634	428424180	/nfs/dbraw/zinc/42/41/80/428424180.db2.gz	ONHALYINZSBRFC-DZGCQCFKSA-N	0	3	302.374	2.654	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000353325516	428488318	/nfs/dbraw/zinc/48/83/18/428488318.db2.gz	BCGUGHBQZVTLGT-LSDHHAIUSA-N	0	3	305.422	2.502	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](COC(F)F)C1	ZINC000342981114	428499467	/nfs/dbraw/zinc/49/94/67/428499467.db2.gz	BIJBOSBJKAPLMX-CABCVRRESA-N	0	3	322.355	2.847	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000372744885	428499651	/nfs/dbraw/zinc/49/96/51/428499651.db2.gz	VNHBLEDRSCIDAY-KBAYOESNSA-N	0	3	320.477	2.760	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C[C@@H]21	ZINC000372984203	428510145	/nfs/dbraw/zinc/51/01/45/428510145.db2.gz	UUXSMVLQJNSJQH-SQNIBIBYSA-N	0	3	311.429	2.627	20	30		DFEDHN
CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCCCC(C)(C)C#N	ZINC000373105542	428518397	/nfs/dbraw/zinc/51/83/97/428518397.db2.gz	AKWUOVTYJLSGFD-HUUCEWRRSA-N	0	3	310.438	2.749	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H]1C	ZINC000347286001	428528149	/nfs/dbraw/zinc/52/81/49/428528149.db2.gz	NSRZLSMVCLDRJO-YOEHRIQHSA-N	0	3	316.401	2.753	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H]1CCCn2cc(C)nc21	ZINC000372591819	428471468	/nfs/dbraw/zinc/47/14/68/428471468.db2.gz	XQJSDXFRCYGHIC-QGZVFWFLSA-N	0	3	309.413	2.871	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)OCC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372598298	428471651	/nfs/dbraw/zinc/47/16/51/428471651.db2.gz	DUQHEOWTMBEPAR-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C[C@@]1(Cc2ccccc2)CCCN1CC(=O)NC1(C#N)CCC1	ZINC000372610497	428473770	/nfs/dbraw/zinc/47/37/70/428473770.db2.gz	MNJJVKAIOMOMLU-SFHVURJKSA-N	0	3	311.429	2.646	20	30		DFEDHN
Cc1nc(NC[C@@H]2CCCN2Cc2ccccc2)ccc1C#N	ZINC000390658162	428474086	/nfs/dbraw/zinc/47/40/86/428474086.db2.gz	JVBAPVATRNLHDJ-SFHVURJKSA-N	0	3	306.413	3.338	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](C)[C@H](CO)C2)ccc1OC	ZINC000361658288	428586962	/nfs/dbraw/zinc/58/69/62/428586962.db2.gz	FFQHQVVQVVLCAG-HOCLYGCPSA-N	0	3	305.418	2.710	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CCCCC1	ZINC000408021534	428592040	/nfs/dbraw/zinc/59/20/40/428592040.db2.gz	MTXBVOGXLIJFAG-OAGGEKHMSA-N	0	3	305.466	2.943	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)C2(C)C)cc1OCCCC#N	ZINC000361086387	428536319	/nfs/dbraw/zinc/53/63/19/428536319.db2.gz	SVRJBBKLJVJGTK-KRWDZBQOSA-N	0	3	318.417	2.723	20	30		DFEDHN
C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc(OCCCC#N)c1	ZINC000361156224	428541112	/nfs/dbraw/zinc/54/11/12/428541112.db2.gz	RLLZVTMPIDAHMK-JKSUJKDBSA-N	0	3	301.434	2.894	20	30		DFEDHN
CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)c(C)c1	ZINC000343406325	428549863	/nfs/dbraw/zinc/54/98/63/428549863.db2.gz	UXEVEMSMEXSRNW-IRXDYDNUSA-N	0	3	310.401	2.703	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1	ZINC000347359737	428563652	/nfs/dbraw/zinc/56/36/52/428563652.db2.gz	WOPXHVLTPNZNRP-OAGGEKHMSA-N	0	3	307.459	2.814	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000357823811	428564393	/nfs/dbraw/zinc/56/43/93/428564393.db2.gz	ISNRNGIOSCTKIM-DYVFJYSZSA-N	0	3	318.380	2.939	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)c2c(C)noc2C)CC1	ZINC000357823490	428566283	/nfs/dbraw/zinc/56/62/83/428566283.db2.gz	VSWMRULETBLQHP-OAHLLOKOSA-N	0	3	305.422	2.552	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NCC1(SC)CCN(C)CC1	ZINC000357957040	428572538	/nfs/dbraw/zinc/57/25/38/428572538.db2.gz	SUKQEWVEMJBZNV-AWEZNQCLSA-N	0	3	313.511	2.858	20	30		DFEDHN
COc1cnccc1N1CCN(CCCC(C)(C)C#N)CC1	ZINC000361529135	428574371	/nfs/dbraw/zinc/57/43/71/428574371.db2.gz	CZBZGDSXICEIHE-UHFFFAOYSA-N	0	3	302.422	2.542	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000353563277	428594725	/nfs/dbraw/zinc/59/47/25/428594725.db2.gz	MXZJDBGTIHPYGP-SFHVURJKSA-N	0	3	315.417	2.522	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)Cc1ccc(Br)cc1F	ZINC000353573027	428602532	/nfs/dbraw/zinc/60/25/32/428602532.db2.gz	UEAJMNRHAVUUNS-BXKDBHETSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)[C@H](CC)C1	ZINC000353578804	428604067	/nfs/dbraw/zinc/60/40/67/428604067.db2.gz	FAZJDKXZYICYKB-RTBURBONSA-N	0	3	302.462	2.910	20	30		DFEDHN
O=C1C[C@H]([C@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CN1	ZINC000362078854	428614154	/nfs/dbraw/zinc/61/41/54/428614154.db2.gz	NCIYHZJWEZQJGO-DOTOQJQBSA-N	0	3	316.832	2.682	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358636060	428615190	/nfs/dbraw/zinc/61/51/90/428615190.db2.gz	PQHOTVHKXHACRC-YOEHRIQHSA-N	0	3	319.449	2.950	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OCC)C12CCCC2	ZINC000347680504	428620498	/nfs/dbraw/zinc/62/04/98/428620498.db2.gz	AZPIUQZGISPYMZ-CVEARBPZSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(C[C@H]1CC=CCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000344064463	428623157	/nfs/dbraw/zinc/62/31/57/428623157.db2.gz	OHEQBRHSMBSWLP-WMZOPIPTSA-N	0	3	309.413	2.952	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnccc1C#N)N(C)C	ZINC000362115804	428628541	/nfs/dbraw/zinc/62/85/41/428628541.db2.gz	FOBXRBWQRVBQOP-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000362118669	428628806	/nfs/dbraw/zinc/62/88/06/428628806.db2.gz	OYQLFFXXYYASGE-LSDHHAIUSA-N	0	3	313.445	2.850	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000347966360	428633150	/nfs/dbraw/zinc/63/31/50/428633150.db2.gz	MMPBQTUTTWSLTP-UHFFFAOYSA-N	0	3	320.408	2.566	20	30		DFEDHN
C=CCOCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000348024375	428636626	/nfs/dbraw/zinc/63/66/26/428636626.db2.gz	BLYACKSNSVYXLW-GOSISDBHSA-N	0	3	316.445	2.864	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@](C)(CCC)C1=O)C(C)C	ZINC000348143363	428641097	/nfs/dbraw/zinc/64/10/97/428641097.db2.gz	KLYKXOVIQFHALJ-CRAIPNDOSA-N	0	3	321.465	2.796	20	30		DFEDHN
CC[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000348155850	428641345	/nfs/dbraw/zinc/64/13/45/428641345.db2.gz	CHGINUDXWMUKSY-HOCLYGCPSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=CCOCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1	ZINC000348052841	428636381	/nfs/dbraw/zinc/63/63/81/428636381.db2.gz	UTLFJTURXVBYHA-QGZVFWFLSA-N	0	3	303.381	2.831	20	30		DFEDHN
Cn1cc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1C#N	ZINC000373819476	428648324	/nfs/dbraw/zinc/64/83/24/428648324.db2.gz	ZDZBHNJBRGLFDD-MOPGFXCFSA-N	0	3	309.413	2.985	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H]1N1CCCC1	ZINC000275903394	274182499	/nfs/dbraw/zinc/18/24/99/274182499.db2.gz	ZYRMPJQOMODRKQ-ZIAGYGMSSA-N	0	3	322.865	2.623	20	30		DFEDHN
C[C@]1(CNc2cnc(C#N)cn2)CCN(Cc2ccccc2)C1	ZINC000373986798	428657762	/nfs/dbraw/zinc/65/77/62/428657762.db2.gz	TZYIJGFKRFRUCS-GOSISDBHSA-N	0	3	307.401	2.672	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000373991175	428659303	/nfs/dbraw/zinc/65/93/03/428659303.db2.gz	STNKPIJLONMPRL-LPHOPBHVSA-N	0	3	313.445	2.610	20	30		DFEDHN
COC(=O)[C@]1(C)CN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C	ZINC000374379140	428676337	/nfs/dbraw/zinc/67/63/37/428676337.db2.gz	VBRBXMSEZNBNGG-HBUWYVDXSA-N	0	3	316.401	2.608	20	30		DFEDHN
CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(C)C	ZINC000416263443	428704279	/nfs/dbraw/zinc/70/42/79/428704279.db2.gz	RJCRYLQOYVVLAI-DLBZAZTESA-N	0	3	302.418	2.936	20	30		DFEDHN
CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(C)C	ZINC000416263446	428704602	/nfs/dbraw/zinc/70/46/02/428704602.db2.gz	RJCRYLQOYVVLAI-SJORKVTESA-N	0	3	302.418	2.936	20	30		DFEDHN
CCCN(C)[C@H](CNC(=O)[C@H](C)C#N)c1ccc(Cl)cc1	ZINC000358925956	428733973	/nfs/dbraw/zinc/73/39/73/428733973.db2.gz	FCPSJTFMNDSARB-IUODEOHRSA-N	0	3	307.825	2.999	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000362372048	428723441	/nfs/dbraw/zinc/72/34/41/428723441.db2.gz	WUCFIQXAVGNOEP-PBHICJAKSA-N	0	3	301.434	2.697	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(Cc3cccnc3)CC2)cc1	ZINC000374478273	428682330	/nfs/dbraw/zinc/68/23/30/428682330.db2.gz	BRJYUMPMYGVTQH-HXUWFJFHSA-N	0	3	321.424	2.941	20	30		DFEDHN
C=CCOc1cc(OC)ccc1C(=O)C(C#N)c1ccncn1	ZINC000362287571	428688634	/nfs/dbraw/zinc/68/86/34/428688634.db2.gz	OZCKEWPULNBQFN-CQSZACIVSA-N	0	3	309.325	2.540	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2CC(=O)N3CCCC[C@@H]23)cc1	ZINC000374513357	428690810	/nfs/dbraw/zinc/69/08/10/428690810.db2.gz	KDCMYUVRFQOKRJ-WBAXXEDZSA-N	0	3	312.413	2.503	20	30		DFEDHN
CN(C)c1noc([C@@H]2CCCN(CCCC(C)(C)C#N)C2)n1	ZINC000374531942	428693004	/nfs/dbraw/zinc/69/30/04/428693004.db2.gz	UBVIDJARGXUVIW-CYBMUJFWSA-N	0	3	305.426	2.645	20	30		DFEDHN
CC[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1CCOC	ZINC000411247252	428763879	/nfs/dbraw/zinc/76/38/79/428763879.db2.gz	ZXFPFMZOEJRIMP-QGZVFWFLSA-N	0	3	307.482	2.893	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000358995193	428766900	/nfs/dbraw/zinc/76/69/00/428766900.db2.gz	WHHJSBQIMVHXLU-SJLPKXTDSA-N	0	3	322.493	2.984	20	30		DFEDHN
C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000411421619	428793111	/nfs/dbraw/zinc/79/31/11/428793111.db2.gz	MZJGQGQYKCKRMA-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
CCN1CCN(Cc2cccc(OCCCC#N)c2)[C@H](C)C1	ZINC000348551236	428785663	/nfs/dbraw/zinc/78/56/63/428785663.db2.gz	JNRKBUABKXSBEK-MRXNPFEDSA-N	0	3	301.434	2.895	20	30		DFEDHN
C#CCCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000374783836	428751179	/nfs/dbraw/zinc/75/11/79/428751179.db2.gz	RHDSYJVUGJDBQM-MRXNPFEDSA-N	0	3	322.412	2.865	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000363035393	428846823	/nfs/dbraw/zinc/84/68/23/428846823.db2.gz	LVKATDGLCQLJJP-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
C[C@@H](CCC#N)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000411730091	428851184	/nfs/dbraw/zinc/85/11/84/428851184.db2.gz	HFRVLWWNRITULL-JKSUJKDBSA-N	0	3	314.433	2.827	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](OCC)C2=CCCC2)CC1	ZINC000362600477	428794244	/nfs/dbraw/zinc/79/42/44/428794244.db2.gz	PBIOBRDEMHIGCJ-KRWDZBQOSA-N	0	3	306.450	2.659	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN(Cc2ccncc2)C2CC2)c1	ZINC000411422654	428794715	/nfs/dbraw/zinc/79/47/15/428794715.db2.gz	TVTFPLIDOZHGIL-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000362695552	428799361	/nfs/dbraw/zinc/79/93/61/428799361.db2.gz	TYOPJGWNYPSMOK-ZMSDIMECSA-N	0	3	301.434	2.913	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1	ZINC000362726650	428801462	/nfs/dbraw/zinc/80/14/62/428801462.db2.gz	QOSNNEVPYIPUIL-ROUUACIJSA-N	0	3	311.429	2.631	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccc(CO)c1)C(C)C	ZINC000362763777	428803447	/nfs/dbraw/zinc/80/34/47/428803447.db2.gz	WDSMZJIKEBDFKA-GOSISDBHSA-N	0	3	316.445	2.607	20	30		DFEDHN
CC[C@H](N[C@@H](C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000411456926	428803604	/nfs/dbraw/zinc/80/36/04/428803604.db2.gz	VQKPKMYQHMSRFK-HOCLYGCPSA-N	0	3	317.433	2.887	20	30		DFEDHN
CC[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(C#N)cc1	ZINC000353999281	428811923	/nfs/dbraw/zinc/81/19/23/428811923.db2.gz	ZUXYXYTVVWJARC-INIZCTEOSA-N	0	3	320.458	2.956	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)N(C)C	ZINC000348709363	428818860	/nfs/dbraw/zinc/81/88/60/428818860.db2.gz	MJMVPBJUSGTILM-AWEZNQCLSA-N	0	3	322.412	2.982	20	30		DFEDHN
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(CC)CC1	ZINC000359116791	428824038	/nfs/dbraw/zinc/82/40/38/428824038.db2.gz	PSIIDAGVFZXIPZ-HNNXBMFYSA-N	0	3	305.470	2.900	20	30		DFEDHN
Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H](C)CCC#N)cs1	ZINC000411622420	428825573	/nfs/dbraw/zinc/82/55/73/428825573.db2.gz	YSARJZIQLMNFOQ-NOLJZWGESA-N	0	3	324.469	2.988	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N(C(C)C)C1CCCC1	ZINC000411639674	428830051	/nfs/dbraw/zinc/83/00/51/428830051.db2.gz	JBBUWAVFTVUTAL-UHFFFAOYSA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc(Br)cn1	ZINC000411643655	428830956	/nfs/dbraw/zinc/83/09/56/428830956.db2.gz	PNXWNDAIOITKAT-UHFFFAOYSA-N	0	3	312.255	2.784	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCOC2(CCOCC2)CC1	ZINC000375547330	428909905	/nfs/dbraw/zinc/90/99/05/428909905.db2.gz	ZRJLCRKFINFMDO-OAHLLOKOSA-N	0	3	300.402	2.891	20	30		DFEDHN
Cc1n[nH]cc1C1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000375338589	428859005	/nfs/dbraw/zinc/85/90/05/428859005.db2.gz	YQFBJWVSWJIRTB-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
CC#CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000354108244	428865034	/nfs/dbraw/zinc/86/50/34/428865034.db2.gz	ODUPMXRLURQFBO-MRXNPFEDSA-N	0	3	302.393	2.567	20	30		DFEDHN
N#CCN(C(=O)CCN1CCc2ccccc2C1)C1CCCC1	ZINC000348873745	428867951	/nfs/dbraw/zinc/86/79/51/428867951.db2.gz	ZZCCFUKKLDXWMT-UHFFFAOYSA-N	0	3	311.429	2.730	20	30		DFEDHN
C=CCOc1cccc(CN2CCO[C@H]3CCN(CC)C[C@H]32)c1	ZINC000354132387	428878244	/nfs/dbraw/zinc/87/82/44/428878244.db2.gz	WJIANOVWNIQSEW-MOPGFXCFSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@@H]3CCN(CC)C[C@H]32)cc1	ZINC000354142126	428881714	/nfs/dbraw/zinc/88/17/14/428881714.db2.gz	PDJHTOOUQNVEJS-RTBURBONSA-N	0	3	316.445	2.546	20	30		DFEDHN
COC(=O)c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c[nH]1	ZINC000418137749	428885032	/nfs/dbraw/zinc/88/50/32/428885032.db2.gz	CCVMJTRCBRTOSC-INIZCTEOSA-N	0	3	309.369	2.840	20	30		DFEDHN
N#Cc1ccc(OCCN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1	ZINC000411960701	428892301	/nfs/dbraw/zinc/89/23/01/428892301.db2.gz	ZFSHAEVZFXYPFG-PKOBYXMFSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1ccc(OCCN2C[C@H](O)C[C@H]2c2ccccc2)cc1	ZINC000411960699	428892814	/nfs/dbraw/zinc/89/28/14/428892814.db2.gz	ZFSHAEVZFXYPFG-MJGOQNOKSA-N	0	3	308.381	2.745	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000375617837	428926238	/nfs/dbraw/zinc/92/62/38/428926238.db2.gz	KNKWOMDOSKZYTG-HOTGVXAUSA-N	0	3	317.820	2.910	20	30		DFEDHN
CN(C)C1(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1	ZINC000419004495	428926281	/nfs/dbraw/zinc/92/62/81/428926281.db2.gz	FHGQYXSHYRXCDT-UHFFFAOYSA-N	0	3	318.783	2.827	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](N3CCCC3=O)CC2)ccc1C#N	ZINC000412054455	428931059	/nfs/dbraw/zinc/93/10/59/428931059.db2.gz	ILHCZMNZEMSHHW-GOSISDBHSA-N	0	3	311.429	2.844	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)NCC1(C#N)CCC1)c1ccco1	ZINC000419513614	428935426	/nfs/dbraw/zinc/93/54/26/428935426.db2.gz	ZNBBBEOZYOKGSY-UONOGXRCSA-N	0	3	318.421	2.702	20	30		DFEDHN
C#CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000363580853	428947048	/nfs/dbraw/zinc/94/70/48/428947048.db2.gz	SFFAXFKSGUYUFM-GDBMZVCRSA-N	0	3	319.836	2.655	20	30		DFEDHN
N#CCCCOc1cccc(CNCC[C@H](O)C(F)(F)F)c1	ZINC000349298676	428958993	/nfs/dbraw/zinc/95/89/93/428958993.db2.gz	POEQJCQOQARBGV-AWEZNQCLSA-N	0	3	316.323	2.772	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000420819248	428962961	/nfs/dbraw/zinc/96/29/61/428962961.db2.gz	OBMBFAYRWSBCDP-DLBZAZTESA-N	0	3	314.433	2.767	20	30		DFEDHN
N#Cc1ncn(C2CCN(Cc3cccc4cccnc43)CC2)n1	ZINC000375923272	429018707	/nfs/dbraw/zinc/01/87/07/429018707.db2.gz	ZPKGDNLAEKJUKB-UHFFFAOYSA-N	0	3	318.384	2.535	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)[C@@H](c1ccccc1)N(C)C	ZINC000355087710	429026824	/nfs/dbraw/zinc/02/68/24/429026824.db2.gz	ZANMCMBIRLFNFU-SVGFKBNWSA-N	0	3	314.433	2.669	20	30		DFEDHN
COC1([C@@H](C)NCc2ccc(C#N)cc2Cl)CCOCC1	ZINC000421029784	428978063	/nfs/dbraw/zinc/97/80/63/428978063.db2.gz	ISMYBPMANFFSOD-GFCCVEGCSA-N	0	3	308.809	2.885	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](NCc1ccc(C#N)c(F)c1)CC2	ZINC000421328836	428989032	/nfs/dbraw/zinc/98/90/32/428989032.db2.gz	UHWOSEMYSNQQKL-AWEZNQCLSA-N	0	3	313.380	2.517	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1OC	ZINC000421361423	428990414	/nfs/dbraw/zinc/99/04/14/428990414.db2.gz	KXOKKHOWKIJNLA-GOEBONIOSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#CC(C(=O)c1cccc(Oc2cnccn2)c1)c1ccncn1	ZINC000354482237	428991148	/nfs/dbraw/zinc/99/11/48/428991148.db2.gz	ZIOCFHZVEHNEDS-CQSZACIVSA-N	0	3	317.308	2.549	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1	ZINC000354485741	428992423	/nfs/dbraw/zinc/99/24/23/428992423.db2.gz	AVVGHTCRCIVXBU-MLGOLLRUSA-N	0	3	310.353	2.720	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000354687165	429003896	/nfs/dbraw/zinc/00/38/96/429003896.db2.gz	DMSWQJZQFIEXGS-INIZCTEOSA-N	0	3	302.418	2.964	20	30		DFEDHN
C=CCN1CC[C@H](N2CCN(C(C)(C)CC(C)(C)C)CC2)C1=O	ZINC000451904993	429014820	/nfs/dbraw/zinc/01/48/20/429014820.db2.gz	SLQCLAIPUDBFBC-INIZCTEOSA-N	0	3	321.509	2.606	20	30		DFEDHN
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H](N)CCCC#N	ZINC000424096693	429091314	/nfs/dbraw/zinc/09/13/14/429091314.db2.gz	PQEBRYHDUZWWTI-QFQXCOSMSA-N	0	3	303.450	2.682	20	30		DFEDHN
Cc1c(CNC(=O)[C@@H](N)CCCC#N)oc2ccc(F)cc12	ZINC000424104144	429091656	/nfs/dbraw/zinc/09/16/56/429091656.db2.gz	GJVPQQUDGRIFKY-ZDUSSCGKSA-N	0	3	303.337	2.518	20	30		DFEDHN
Cc1cccc(C2(CNC(=O)[C@H](N)CCCC#N)CCCC2)c1	ZINC000424113039	429092380	/nfs/dbraw/zinc/09/23/80/429092380.db2.gz	LSNJULRSRNYTGD-QGZVFWFLSA-N	0	3	313.445	2.944	20	30		DFEDHN
CC(C)(Cc1ccccc1Cl)NC(=O)[C@H](N)CCCC#N	ZINC000424115232	429092729	/nfs/dbraw/zinc/09/27/29/429092729.db2.gz	UOTBAFFIRIBKTJ-CQSZACIVSA-N	0	3	307.825	2.798	20	30		DFEDHN
CCSc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424113616	429092886	/nfs/dbraw/zinc/09/28/86/429092886.db2.gz	NRZNESVPJRPTCD-WFASDCNBSA-N	0	3	305.447	2.997	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Cl	ZINC000424119795	429093903	/nfs/dbraw/zinc/09/39/03/429093903.db2.gz	GFOMBPNOMAQOLX-TZMCWYRMSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CC1(c2ccccc2)CCC(N[C@@H]2CNCCC2(F)F)CC1	ZINC000423478800	429094012	/nfs/dbraw/zinc/09/40/12/429094012.db2.gz	LPBRRBTUYICXKS-AQFXKWCLSA-N	0	3	319.399	2.977	20	30		DFEDHN
CCC[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424123513	429094912	/nfs/dbraw/zinc/09/49/12/429094912.db2.gz	KZTITEMYDLMCLA-IAGOWNOFSA-N	0	3	301.434	2.925	20	30		DFEDHN
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)CCCC#N	ZINC000424128913	429095606	/nfs/dbraw/zinc/09/56/06/429095606.db2.gz	RQRQMUCKBIHNJX-HUUCEWRRSA-N	0	3	307.825	2.798	20	30		DFEDHN
COc1cc(CN2CCC[C@@H]2Cn2ccnc2C)ccc1C#N	ZINC000375999441	429038078	/nfs/dbraw/zinc/03/80/78/429038078.db2.gz	KWEAWYOSLLIQMQ-QGZVFWFLSA-N	0	3	310.401	2.736	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000376003280	429039559	/nfs/dbraw/zinc/03/95/59/429039559.db2.gz	KHSQCOCHKCPVGL-MRXNPFEDSA-N	0	3	323.396	2.712	20	30		DFEDHN
C=CCCC1(C(=O)NCc2ccccc2OCCN(C)C)CC1	ZINC000355353270	429042003	/nfs/dbraw/zinc/04/20/03/429042003.db2.gz	PJJBSOZGGCQYQY-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1	ZINC000452048814	429044237	/nfs/dbraw/zinc/04/42/37/429044237.db2.gz	RDSJZGJWIOIIPU-JMHGAPFMSA-N	0	3	317.477	2.797	20	30		DFEDHN
CC[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000422198836	429049882	/nfs/dbraw/zinc/04/98/82/429049882.db2.gz	CYVQSOYEVXWNFE-HNNXBMFYSA-N	0	3	316.449	2.678	20	30		DFEDHN
COC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000452075401	429050392	/nfs/dbraw/zinc/05/03/92/429050392.db2.gz	DCPGENLONBGTDY-HNNXBMFYSA-N	0	3	318.417	2.694	20	30		DFEDHN
CCCOc1cc(OC)ccc1C(=O)C(C#N)c1ccncn1	ZINC000355530561	429050641	/nfs/dbraw/zinc/05/06/41/429050641.db2.gz	BMOKELCLHRRCCE-CQSZACIVSA-N	0	3	311.341	2.764	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2C2CC2)c1	ZINC000433809891	429052772	/nfs/dbraw/zinc/05/27/72/429052772.db2.gz	BTKHNSOANIZSHM-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OC(F)F)c1	ZINC000355550826	429053042	/nfs/dbraw/zinc/05/30/42/429053042.db2.gz	RMJLGZCEIPYMDY-LLVKDONJSA-N	0	3	319.267	2.577	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN[C@H](C)c1cnccc1N)C(C)C	ZINC000422826233	429053112	/nfs/dbraw/zinc/05/31/12/429053112.db2.gz	BYLPNTJWPTYZGJ-CRAIPNDOSA-N	0	3	302.466	2.843	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(OCCN(C)C)cc1OC	ZINC000412566150	429062118	/nfs/dbraw/zinc/06/21/18/429062118.db2.gz	DWHCKWSNCMFYLN-UHFFFAOYSA-N	0	3	318.417	2.768	20	30		DFEDHN
Cc1cc(C#N)cc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)n1	ZINC000376172504	429070101	/nfs/dbraw/zinc/07/01/01/429070101.db2.gz	NACOWIZBPUZHNA-RRQGHBQHSA-N	0	3	314.433	2.563	20	30		DFEDHN
C[C@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1cccc(C#N)c1	ZINC000452169856	429077841	/nfs/dbraw/zinc/07/78/41/429077841.db2.gz	GPLDXKDXSCYFKJ-CABCVRRESA-N	0	3	311.429	2.604	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2nccs2)c1	ZINC000424057704	429084209	/nfs/dbraw/zinc/08/42/09/429084209.db2.gz	JUPRKIOHNQDKCU-CYBMUJFWSA-N	0	3	300.387	2.770	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000453349908	429147895	/nfs/dbraw/zinc/14/78/95/429147895.db2.gz	JNSXUKINUDDLGT-OLZOCXBDSA-N	0	3	320.824	2.898	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000424522978	429148354	/nfs/dbraw/zinc/14/83/54/429148354.db2.gz	VVAKPKYRRHGBJV-IKGGRYGDSA-N	0	3	320.408	2.526	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(C)c1	ZINC000424518968	429149807	/nfs/dbraw/zinc/14/98/07/429149807.db2.gz	MTKBJUGMWWWZED-SJORKVTESA-N	0	3	302.418	2.976	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453423488	429151115	/nfs/dbraw/zinc/15/11/15/429151115.db2.gz	FBQLNVDYEWJOFC-HNNXBMFYSA-N	0	3	305.470	2.727	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453425695	429151246	/nfs/dbraw/zinc/15/12/46/429151246.db2.gz	OEBCHTVCNOJZQC-HUUCEWRRSA-N	0	3	305.470	2.897	20	30		DFEDHN
C[C@H]1CC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000453638124	429154881	/nfs/dbraw/zinc/15/48/81/429154881.db2.gz	ZFAHDQCHENXGCE-GUYCJALGSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H]1CC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000453638121	429155265	/nfs/dbraw/zinc/15/52/65/429155265.db2.gz	ZFAHDQCHENXGCE-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
CC(C)c1ccc(C[C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424165867	429102704	/nfs/dbraw/zinc/10/27/04/429102704.db2.gz	FMWWRVKJVINNBK-YOEHRIQHSA-N	0	3	301.434	2.878	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-c2cccnc2)cc1	ZINC000424158549	429103417	/nfs/dbraw/zinc/10/34/17/429103417.db2.gz	TVAAOKDUPPXOLH-KBXCAEBGSA-N	0	3	322.412	2.947	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1	ZINC000424197660	429108073	/nfs/dbraw/zinc/10/80/73/429108073.db2.gz	OHSTYAKONORYNH-DOMZBBRYSA-N	0	3	324.384	2.630	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2ccc(Cl)cc2-n2cncn2)C1	ZINC000424198731	429108246	/nfs/dbraw/zinc/10/82/46/429108246.db2.gz	JNGYTHMSIVDNDP-SMDDNHRTSA-N	0	3	301.781	2.703	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C)CC1	ZINC000413049079	429127382	/nfs/dbraw/zinc/12/73/82/429127382.db2.gz	TVFFSSMFILXMIH-KRWDZBQOSA-N	0	3	301.434	2.567	20	30		DFEDHN
CCCOc1ccc(C(=O)C(C#N)c2ccncn2)c(OC)c1	ZINC000453712730	429157176	/nfs/dbraw/zinc/15/71/76/429157176.db2.gz	BGPXVKOONYFYAL-CQSZACIVSA-N	0	3	311.341	2.764	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000452775370	429138118	/nfs/dbraw/zinc/13/81/18/429138118.db2.gz	NYLKUDHAJHVWLI-INIZCTEOSA-N	0	3	317.408	2.938	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@H](c2cccc(Br)c2)C1	ZINC000452856389	429139868	/nfs/dbraw/zinc/13/98/68/429139868.db2.gz	YVUUMXQMDCCFDI-PWSUYJOCSA-N	0	3	307.191	2.925	20	30		DFEDHN
C[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000454253665	429162762	/nfs/dbraw/zinc/16/27/62/429162762.db2.gz	FEWDJTHBFIEXGV-WCVJEAGWSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000454956937	429176849	/nfs/dbraw/zinc/17/68/49/429176849.db2.gz	HUMNSONLCUROAE-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCn1cccc1C(=O)NCCCN1CCc2ccccc2C1	ZINC000488384125	429178244	/nfs/dbraw/zinc/17/82/44/429178244.db2.gz	ISJDBMQDAULOOA-UHFFFAOYSA-N	0	3	323.440	2.852	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N(C)C	ZINC000455446984	429188978	/nfs/dbraw/zinc/18/89/78/429188978.db2.gz	XYTXYGKHIMCFBH-HNNXBMFYSA-N	0	3	316.449	2.676	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H](C)C1	ZINC000488745643	429195842	/nfs/dbraw/zinc/19/58/42/429195842.db2.gz	DUAFQOFTQNBCKY-QMTMVMCOSA-N	0	3	324.472	2.999	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488722049	429190799	/nfs/dbraw/zinc/19/07/99/429190799.db2.gz	NGBKVJSXHIAYBC-WOSRLPQWSA-N	0	3	314.389	2.633	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)N(C)C	ZINC000455793408	429212059	/nfs/dbraw/zinc/21/20/59/429212059.db2.gz	MEYKQHXDXZYECC-GFCCVEGCSA-N	0	3	318.421	2.807	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(C#N)ccc2F)C1	ZINC000495482880	429213412	/nfs/dbraw/zinc/21/34/12/429213412.db2.gz	YUJUUZUOFMAUCN-GXTWGEPZSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCN(C2CCCCC2)CC1	ZINC000489050153	429215448	/nfs/dbraw/zinc/21/54/48/429215448.db2.gz	YDSBPFMNCYDSPK-UHFFFAOYSA-N	0	3	301.434	2.765	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCC1(C#N)CC1	ZINC000495542757	429221025	/nfs/dbraw/zinc/22/10/25/429221025.db2.gz	YJVSRNRJUPTLKM-UONOGXRCSA-N	0	3	307.438	2.963	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(F)cc2C#N)C1	ZINC000495555554	429221876	/nfs/dbraw/zinc/22/18/76/429221876.db2.gz	GJAYCUSMXIGUJX-TZMCWYRMSA-N	0	3	319.380	2.654	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(CC#N)c1	ZINC000455927361	429225068	/nfs/dbraw/zinc/22/50/68/429225068.db2.gz	ZUFVCJFNTBYGOO-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000441266851	429228933	/nfs/dbraw/zinc/22/89/33/429228933.db2.gz	VEQAWTMGRAOKFJ-UGFHNGPFSA-N	0	3	319.405	2.642	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCCN1C	ZINC000455998401	429229535	/nfs/dbraw/zinc/22/95/35/429229535.db2.gz	DFINKJRLMDUPNJ-YOEHRIQHSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1C[C@@H](c2ccccc2)C1(C)C	ZINC000274282758	275433204	/nfs/dbraw/zinc/43/32/04/275433204.db2.gz	PDTWOQRTMZKABY-HOTGVXAUSA-N	0	3	307.459	2.759	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455703277	429201055	/nfs/dbraw/zinc/20/10/55/429201055.db2.gz	MFPDNHSAAGJTAC-LBPRGKRZSA-N	0	3	306.797	2.574	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000275699599	275437731	/nfs/dbraw/zinc/43/77/31/275437731.db2.gz	QHWOVAREQFPGEA-AEFFLSMTSA-N	0	3	304.434	2.634	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)N1CCCCCC1	ZINC000495631143	429235508	/nfs/dbraw/zinc/23/55/08/429235508.db2.gz	LJYOVKHQTPMIKE-GJZGRUSLSA-N	0	3	321.421	2.540	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H]2CCN(CCCc3ccccc3)C2=O)C1	ZINC000442849462	429239333	/nfs/dbraw/zinc/23/93/33/429239333.db2.gz	OAXGWTSPKRSQNC-KURKYZTESA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN(C)[C@@H]2CC2(C)C)c(OC)c1	ZINC000489416832	429241051	/nfs/dbraw/zinc/24/10/51/429241051.db2.gz	WWWWZQCBEXQTGY-CRAIPNDOSA-N	0	3	319.445	2.894	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1OC	ZINC000489448189	429241652	/nfs/dbraw/zinc/24/16/52/429241652.db2.gz	RAQRSQDZVSOPIC-IAGOWNOFSA-N	0	3	305.418	2.613	20	30		DFEDHN
Cc1ncsc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000456097796	429242193	/nfs/dbraw/zinc/24/21/93/429242193.db2.gz	AZGANEPPGHYTOE-OAHLLOKOSA-N	0	3	313.426	2.883	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1OC	ZINC000489448191	429242689	/nfs/dbraw/zinc/24/26/89/429242689.db2.gz	RAQRSQDZVSOPIC-SJORKVTESA-N	0	3	305.418	2.613	20	30		DFEDHN
CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@@H]1C	ZINC000456142531	429248506	/nfs/dbraw/zinc/24/85/06/429248506.db2.gz	NNQISGHEPUYSSD-USXIJHARSA-N	0	3	300.402	2.642	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443521038	429253315	/nfs/dbraw/zinc/25/33/15/429253315.db2.gz	UBESCBLUCLWEAH-MFKMUULPSA-N	0	3	312.339	2.748	20	30		DFEDHN
Cc1cc(CN[C@H]2CC(=O)N(c3ccccc3)C2)ccc1C#N	ZINC000443964189	429258051	/nfs/dbraw/zinc/25/80/51/429258051.db2.gz	JBMDIYTUUFGNLB-KRWDZBQOSA-N	0	3	305.381	2.762	20	30		DFEDHN
COCCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC1	ZINC000490027628	429275109	/nfs/dbraw/zinc/27/51/09/429275109.db2.gz	BDRFSFULIFZOMA-MRXNPFEDSA-N	0	3	302.418	2.725	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000444733349	429276664	/nfs/dbraw/zinc/27/66/64/429276664.db2.gz	QQCRPVMLUIALTF-GJZGRUSLSA-N	0	3	312.335	2.888	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)NCCCC(=O)OCC)CCCC1(C)C	ZINC000444786661	429276986	/nfs/dbraw/zinc/27/69/86/429276986.db2.gz	OKWWWRXGLZKXPE-OAHLLOKOSA-N	0	3	324.465	2.513	20	30		DFEDHN
CC[C@H](C)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000456526844	429318538	/nfs/dbraw/zinc/31/85/38/429318538.db2.gz	IRWUPLGIRFAYNY-WMZOPIPTSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000448810939	429318617	/nfs/dbraw/zinc/31/86/17/429318617.db2.gz	OLBFHYWZUANPQG-HHXXYDBFSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000448828966	429318667	/nfs/dbraw/zinc/31/86/67/429318667.db2.gz	SUBIHMBFKUZRDE-SUMWQHHRSA-N	0	3	317.458	2.626	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000448828964	429319466	/nfs/dbraw/zinc/31/94/66/429319466.db2.gz	SUBIHMBFKUZRDE-DYVFJYSZSA-N	0	3	317.458	2.626	20	30		DFEDHN
C#CC(C)(C)N(C)Cc1ccc(OCCOCCOC)cc1	ZINC000491071024	429322546	/nfs/dbraw/zinc/32/25/46/429322546.db2.gz	HGGPVIKQZARDBM-UHFFFAOYSA-N	0	3	305.418	2.572	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@H](CC)c1ccc(C#N)cc1)CC2	ZINC000365487240	429327811	/nfs/dbraw/zinc/32/78/11/429327811.db2.gz	BZALIOHSBACOLL-JKSUJKDBSA-N	0	3	309.417	2.768	20	30		DFEDHN
C#C[C@@H](NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)C(C)C	ZINC000491127961	429328014	/nfs/dbraw/zinc/32/80/14/429328014.db2.gz	YJRVZYAAOBIRNM-JHJVBQTASA-N	0	3	318.383	2.669	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](CC(F)(F)F)c1ccccc1C	ZINC000491164475	429328990	/nfs/dbraw/zinc/32/89/90/429328990.db2.gz	CALINCVKOHIKIM-CQSZACIVSA-N	0	3	312.335	2.718	20	30		DFEDHN
C#C[C@H](NC(=O)NCCN(C)C1CC1)c1ccc(Cl)cc1F	ZINC000491181091	429332202	/nfs/dbraw/zinc/33/22/02/429332202.db2.gz	QCZASIBIKRGTEM-HNNXBMFYSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#CCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000491232048	429338765	/nfs/dbraw/zinc/33/87/65/429338765.db2.gz	XQGRSDCMMLDBKB-UHFFFAOYSA-N	0	3	317.864	2.560	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000491243801	429339413	/nfs/dbraw/zinc/33/94/13/429339413.db2.gz	ZKTAGRULGNJBJJ-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000449156641	429345029	/nfs/dbraw/zinc/34/50/29/429345029.db2.gz	SVXDWKAFZHKLSN-HOCLYGCPSA-N	0	3	304.438	2.640	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NCC1(N(C)C)CCC1	ZINC000445862803	429291599	/nfs/dbraw/zinc/29/15/99/429291599.db2.gz	SIYMVRPACJJKDT-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
C[C@H](C#N)CN(C(=O)Nc1ccccc1CCN(C)C)C1CC1	ZINC000446577258	429299662	/nfs/dbraw/zinc/29/96/62/429299662.db2.gz	KVDGULZNJJSENZ-CQSZACIVSA-N	0	3	314.433	2.947	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cc(F)ccc2SC)CC1	ZINC000490711600	429302456	/nfs/dbraw/zinc/30/24/56/429302456.db2.gz	AMFLGOQKAUOEIH-UHFFFAOYSA-N	0	3	320.433	2.509	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000448002540	429309791	/nfs/dbraw/zinc/30/97/91/429309791.db2.gz	XZVBAATVTCUPFI-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C[C@@H]1C[C@@H](CNCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C	ZINC000496133360	429310068	/nfs/dbraw/zinc/31/00/68/429310068.db2.gz	LSARZPQQRUMRGJ-KGLIPLIRSA-N	0	3	307.438	2.915	20	30		DFEDHN
CC#CCCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1	ZINC000425510460	429311956	/nfs/dbraw/zinc/31/19/56/429311956.db2.gz	MKQNMMKXGLFISO-LSDHHAIUSA-N	0	3	307.340	2.567	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1CCO	ZINC000448681005	429314707	/nfs/dbraw/zinc/31/47/07/429314707.db2.gz	NNAWXJPYRQMIKD-SJORKVTESA-N	0	3	300.402	2.522	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000448651068	429315314	/nfs/dbraw/zinc/31/53/14/429315314.db2.gz	UYYSZJSZQPEHMY-SFHVURJKSA-N	0	3	322.412	2.762	20	30		DFEDHN
C#CCN(C(=O)N[C@H](C)C1=CCN(C)CC1)C1CCCCC1	ZINC000490948284	429315654	/nfs/dbraw/zinc/31/56/54/429315654.db2.gz	DGHMIOZITCGYEV-OAHLLOKOSA-N	0	3	303.450	2.614	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC000491715809	429395788	/nfs/dbraw/zinc/39/57/88/429395788.db2.gz	LJGMAGNBHBEAHZ-VXGBXAGGSA-N	0	3	310.850	2.576	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000491730818	429399599	/nfs/dbraw/zinc/39/95/99/429399599.db2.gz	IACBRHSRUPISTD-FUHWJXTLSA-N	0	3	313.445	2.795	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(CCc2ccc(O)cc2)CC1	ZINC000517840357	429401781	/nfs/dbraw/zinc/40/17/81/429401781.db2.gz	TVSSHSRREFJGKS-OAHLLOKOSA-N	0	3	316.445	2.728	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1	ZINC000517952650	429404614	/nfs/dbraw/zinc/40/46/14/429404614.db2.gz	RHOCTFQUSRKWTD-LJQANCHMSA-N	0	3	322.412	2.823	20	30		DFEDHN
C[C@H]1[C@H](CO)CCN1Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000425990875	429356052	/nfs/dbraw/zinc/35/60/52/429356052.db2.gz	PREDJIUGSGOBIL-RDJZCZTQSA-N	0	3	324.428	2.666	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](CO)[C@@H]2C)cc1OCCCC#N	ZINC000426005242	429358730	/nfs/dbraw/zinc/35/87/30/429358730.db2.gz	XOVLLOQXGVHMQN-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
C[C@H](Cc1ccoc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000449230546	429363591	/nfs/dbraw/zinc/36/35/91/429363591.db2.gz	KYMKTRHJMJRBTA-RDTXWAMCSA-N	0	3	323.396	2.867	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000514798067	429371470	/nfs/dbraw/zinc/37/14/70/429371470.db2.gz	GRVABMXNRHMIPS-WBVHZDCISA-N	0	3	321.428	2.838	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000515003429	429373020	/nfs/dbraw/zinc/37/30/20/429373020.db2.gz	PZBJKYRJEBQYGA-MOPGFXCFSA-N	0	3	323.440	2.926	20	30		DFEDHN
CS[C@@H]1CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000515348320	429376796	/nfs/dbraw/zinc/37/67/96/429376796.db2.gz	AUEMSZVLOZCARB-ARFHVFGLSA-N	0	3	315.442	2.537	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21	ZINC000515605935	429377366	/nfs/dbraw/zinc/37/73/66/429377366.db2.gz	KRHROQISJHQLEQ-RCCFBDPRSA-N	0	3	324.424	2.786	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](OC(C)C)C1	ZINC000515838219	429379240	/nfs/dbraw/zinc/37/92/40/429379240.db2.gz	RRVVVZGIIPPAQS-ZWKOTPCHSA-N	0	3	319.445	2.654	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl	ZINC000491622313	429380346	/nfs/dbraw/zinc/38/03/46/429380346.db2.gz	HBZONXSPNWBYFK-UHFFFAOYSA-N	0	3	321.783	2.645	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000491632214	429381963	/nfs/dbraw/zinc/38/19/63/429381963.db2.gz	QQKRFICIASQRLD-LSDHHAIUSA-N	0	3	319.474	2.623	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1sc(C2CCCC2)nc1C	ZINC000491628219	429381988	/nfs/dbraw/zinc/38/19/88/429381988.db2.gz	LPRAVXAVRAXQKK-UHFFFAOYSA-N	0	3	319.474	2.794	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)CSc1ccc(C#N)cc1	ZINC000457041296	429382937	/nfs/dbraw/zinc/38/29/37/429382937.db2.gz	GNIZJULFXPWXCT-UHFFFAOYSA-N	0	3	317.458	2.641	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@]1(F)CCN(C(C)(C)C)C1	ZINC000365838712	429383288	/nfs/dbraw/zinc/38/32/88/429383288.db2.gz	LRXCTOMXYCABAK-ZDUSSCGKSA-N	0	3	310.335	2.776	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1CCC(C#N)CC1	ZINC000516948987	429385223	/nfs/dbraw/zinc/38/52/23/429385223.db2.gz	HFLNEPBPFFAYGG-UYSNPLJNSA-N	0	3	320.481	2.736	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)COc2cccc3ccccc32)CC1	ZINC000516966089	429385328	/nfs/dbraw/zinc/38/53/28/429385328.db2.gz	UNRHARFJMHGHQV-MRXNPFEDSA-N	0	3	310.397	2.863	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN(C)C1	ZINC000517088869	429386360	/nfs/dbraw/zinc/38/63/60/429386360.db2.gz	RGHCWJFDSHWCTQ-ROUUACIJSA-N	0	3	315.461	2.815	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc1SC)OCCO2	ZINC000449522202	429442830	/nfs/dbraw/zinc/44/28/30/429442830.db2.gz	UQCNPPNBJLTOCZ-OLZOCXBDSA-N	0	3	307.415	2.613	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000492026697	429453963	/nfs/dbraw/zinc/45/39/63/429453963.db2.gz	UQELVRLHSXHBAC-GXTWGEPZSA-N	0	3	317.389	2.528	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCOC[C@@H](C2CCC2)C1	ZINC000366488166	429461114	/nfs/dbraw/zinc/46/11/14/429461114.db2.gz	IBVUWVINDVVGTE-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000491813799	429413467	/nfs/dbraw/zinc/41/34/67/429413467.db2.gz	INFBMLHMYBSXLS-HZPDHXFCSA-N	0	3	313.445	2.875	20	30		DFEDHN
C[C@@]12CN(Cc3cnc4ccc(C#N)cn34)C[C@H]1[C@@H]1C=C[C@H]2C1	ZINC000449453912	429422888	/nfs/dbraw/zinc/42/28/88/429422888.db2.gz	XYRALLQJRFWLLX-YEWFCNIMSA-N	0	3	304.397	2.850	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)nc1	ZINC000457189283	429423518	/nfs/dbraw/zinc/42/35/18/429423518.db2.gz	WQJJFRQUHJDJRC-KRWDZBQOSA-N	0	3	307.397	2.821	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](OC)[C@@H](C)C2)cc(OC)c1O	ZINC000449493166	429432762	/nfs/dbraw/zinc/43/27/62/429432762.db2.gz	DLAVQOSLCPLNQT-BBRMVZONSA-N	0	3	305.418	2.986	20	30		DFEDHN
N#CCSCCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000519720374	429483188	/nfs/dbraw/zinc/48/31/88/429483188.db2.gz	CCSIKQYGLSLTER-ZDUSSCGKSA-N	0	3	318.364	2.975	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCCO1)C(C)C	ZINC000457566987	429487534	/nfs/dbraw/zinc/48/75/34/429487534.db2.gz	YOLFMPGGJFLNED-FUHWJXTLSA-N	0	3	308.466	2.760	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC(C)CC1	ZINC000519822224	429492277	/nfs/dbraw/zinc/49/22/77/429492277.db2.gz	PTGQGQIDDOHLCJ-MRXNPFEDSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc3[nH]ccc3c2)CC1	ZINC000492278884	429501342	/nfs/dbraw/zinc/50/13/42/429501342.db2.gz	RGBBQNDYYHIUEC-XQRVVYSFSA-N	0	3	309.413	2.948	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@H](C)O1)C(C)C	ZINC000457763537	429523297	/nfs/dbraw/zinc/52/32/97/429523297.db2.gz	ZCWHDUMSVHDUCK-YESZJQIVSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C)O1)C(C)C	ZINC000457763531	429523702	/nfs/dbraw/zinc/52/37/02/429523702.db2.gz	ZCWHDUMSVHDUCK-GVDBMIGSSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000457764883	429524043	/nfs/dbraw/zinc/52/40/43/429524043.db2.gz	MHHVACRHFMTANA-BZUAXINKSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000457919655	429548528	/nfs/dbraw/zinc/54/85/28/429548528.db2.gz	XTNNUWGPEVRMLN-MRXNPFEDSA-N	0	3	303.450	2.671	20	30		DFEDHN
N#Cc1ccccc1CN[C@H](C1CCOCC1)C1(CO)CCC1	ZINC000521615607	429559403	/nfs/dbraw/zinc/55/94/03/429559403.db2.gz	CDWGNXFSUCGPSD-GOSISDBHSA-N	0	3	314.429	2.606	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000458096975	429580405	/nfs/dbraw/zinc/58/04/05/429580405.db2.gz	SGICTNWAHKPIQY-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000522138466	429581276	/nfs/dbraw/zinc/58/12/76/429581276.db2.gz	NEYJAOFJSQMJRN-BXKDBHETSA-N	0	3	312.200	2.626	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCC3)C2)c1	ZINC000367151842	429587182	/nfs/dbraw/zinc/58/71/82/429587182.db2.gz	RHFIMZZEMLPDLV-ZDUSSCGKSA-N	0	3	303.793	2.522	20	30		DFEDHN
C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC[C@H]1C	ZINC000450258157	429587912	/nfs/dbraw/zinc/58/79/12/429587912.db2.gz	PFKAJLHXNYWLKM-VXGBXAGGSA-N	0	3	303.366	2.536	20	30		DFEDHN
N#Cc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1	ZINC000428547170	429532649	/nfs/dbraw/zinc/53/26/49/429532649.db2.gz	NBSSDVRDPDSTFX-MOPGFXCFSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@H]3CCCC[C@H]3O)n2c1	ZINC000366957667	429547370	/nfs/dbraw/zinc/54/73/70/429547370.db2.gz	DXFGBVLMNQEUTN-KZNAEPCWSA-N	0	3	324.428	2.721	20	30		DFEDHN
C#CCn1ccc(CN(CC)c2ccncc2-c2cccnc2)n1	ZINC000367350179	429628602	/nfs/dbraw/zinc/62/86/02/429628602.db2.gz	XUERULKDUMBBLT-UHFFFAOYSA-N	0	3	317.396	3.000	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCN(C)CC1	ZINC000429919932	429639302	/nfs/dbraw/zinc/63/93/02/429639302.db2.gz	FPPSKUPZQLVCIU-UHFFFAOYSA-N	0	3	313.426	2.905	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1cccc(C#N)c1[N+](=O)[O-]	ZINC000450526285	429641511	/nfs/dbraw/zinc/64/15/11/429641511.db2.gz	UOGHRMGSTQPGFM-OCCSQVGLSA-N	0	3	300.362	2.529	20	30		DFEDHN
CN(C)C/C=C\C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000492949056	429651457	/nfs/dbraw/zinc/65/14/57/429651457.db2.gz	HJAVYMMZMGFOLV-ARJAWSKDSA-N	0	3	313.279	2.513	20	30		DFEDHN
Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1C#N	ZINC000367252243	429605744	/nfs/dbraw/zinc/60/57/44/429605744.db2.gz	PVSHASCKRMDCDZ-RBUKOAKNSA-N	0	3	319.408	2.694	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1nccc(C#N)n1	ZINC000450379627	429611922	/nfs/dbraw/zinc/61/19/22/429611922.db2.gz	PGDJPYXLUYEXHB-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000263643558	276162567	/nfs/dbraw/zinc/16/25/67/276162567.db2.gz	ATJDOWRZYRCUIJ-UHFFFAOYSA-N	0	3	317.437	2.674	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CC(OCC)C2)C1	ZINC000367590589	429679457	/nfs/dbraw/zinc/67/94/57/429679457.db2.gz	VGBMPOLPULFHPH-KLHKWILBSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccco1	ZINC000367596366	429680257	/nfs/dbraw/zinc/68/02/57/429680257.db2.gz	PERCZZZFLBONTH-HOCLYGCPSA-N	0	3	300.406	2.889	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000263664654	276185807	/nfs/dbraw/zinc/18/58/07/276185807.db2.gz	IBRXRVOSZIYMHV-AWEZNQCLSA-N	0	3	317.437	2.721	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000450762457	429694177	/nfs/dbraw/zinc/69/41/77/429694177.db2.gz	PQABTSJQXVEWRB-BJZITVGISA-N	0	3	311.429	2.563	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459336168	429695624	/nfs/dbraw/zinc/69/56/24/429695624.db2.gz	AEXURUWPZDQDFD-UKRRQHHQSA-N	0	3	314.389	2.525	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H](C)S1	ZINC000526927870	429708614	/nfs/dbraw/zinc/70/86/14/429708614.db2.gz	JZVBUNQNXDBVQV-IOASZLSFSA-N	0	3	313.426	2.593	20	30		DFEDHN
CC(C)C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000468961821	429710331	/nfs/dbraw/zinc/71/03/31/429710331.db2.gz	MCUBMYOFPWKHCQ-SFHVURJKSA-N	0	3	313.445	2.933	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@@H]3CCC[C@@H](C)C3)CC2)c1C#N	ZINC000471825427	429713263	/nfs/dbraw/zinc/71/32/63/429713263.db2.gz	VXTZYFFPJNQXMY-GDBMZVCRSA-N	0	3	315.465	2.549	20	30		DFEDHN
Cc1cccc(CN2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)c1	ZINC000367769259	429713632	/nfs/dbraw/zinc/71/36/32/429713632.db2.gz	NBSGGWZVGUGESX-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)cc1	ZINC000475366545	429716167	/nfs/dbraw/zinc/71/61/67/429716167.db2.gz	DWBVPRNAPZTJPC-RHSMWYFYSA-N	0	3	303.402	2.882	20	30		DFEDHN
C[C@H](NCC1(CO)COC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000367783660	429716551	/nfs/dbraw/zinc/71/65/51/429716551.db2.gz	NGAAQHPPDDKMHO-HNNXBMFYSA-N	0	3	322.408	2.885	20	30		DFEDHN
CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)c(Cl)c1	ZINC000527048223	429718902	/nfs/dbraw/zinc/71/89/02/429718902.db2.gz	XZHWXSBJOLYONJ-UHFFFAOYSA-N	0	3	321.787	2.721	20	30		DFEDHN
CC#CCCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000482905455	429727927	/nfs/dbraw/zinc/72/79/27/429727927.db2.gz	XMKUJXGCISUOKV-UHFFFAOYSA-N	0	3	322.408	2.718	20	30		DFEDHN
CC(C)C[C@@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1	ZINC000450991744	429746907	/nfs/dbraw/zinc/74/69/07/429746907.db2.gz	XFKQFCFMDUPVFP-IRXDYDNUSA-N	0	3	302.418	2.624	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000451274938	429801505	/nfs/dbraw/zinc/80/15/05/429801505.db2.gz	XXJFHXYDIIWRGB-NRSFXHEJSA-N	0	3	316.445	2.694	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1	ZINC000368188779	429806114	/nfs/dbraw/zinc/80/61/14/429806114.db2.gz	DPKXNQOSXPBVPC-MRXNPFEDSA-N	0	3	303.450	2.611	20	30		DFEDHN
CN(C)C/C=C\C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000493455166	429766887	/nfs/dbraw/zinc/76/68/87/429766887.db2.gz	PKRRUXBEHAWEOP-SREVYHEPSA-N	0	3	301.390	2.792	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)CC1	ZINC000527731888	429789192	/nfs/dbraw/zinc/78/91/92/429789192.db2.gz	YIAAEYZOSNWZNP-JKSUJKDBSA-N	0	3	319.474	2.944	20	30		DFEDHN
CC(C)O[C@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C	ZINC000451492753	429835570	/nfs/dbraw/zinc/83/55/70/429835570.db2.gz	GDUHIBLSLLSQKL-HOTGVXAUSA-N	0	3	315.417	2.678	20	30		DFEDHN
Cc1cocc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000528032685	429840912	/nfs/dbraw/zinc/84/09/12/429840912.db2.gz	HQUPEZGXWJRFTH-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC2(C1)CCCCCC2)C1CC1	ZINC000368399335	429843565	/nfs/dbraw/zinc/84/35/65/429843565.db2.gz	YBHSWWVLCDULSF-KRWDZBQOSA-N	0	3	303.450	2.841	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ccnc(C#N)n1	ZINC000528116936	429850095	/nfs/dbraw/zinc/85/00/95/429850095.db2.gz	VJAFXVHNFCUNMA-QGZVFWFLSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@@H]1CN(c2ncncc2C#N)CCN1Cc1ccccc1	ZINC000528123892	429850635	/nfs/dbraw/zinc/85/06/35/429850635.db2.gz	BEARAULAYDMJFN-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
C#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1	ZINC000368571180	429869476	/nfs/dbraw/zinc/86/94/76/429869476.db2.gz	CXMWJSQLDDJVFN-LJQANCHMSA-N	0	3	310.441	2.939	20	30		DFEDHN
C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1COc2ccccc21	ZINC000368487373	429856868	/nfs/dbraw/zinc/85/68/68/429856868.db2.gz	JBNOCFZFMOWOQR-DYVFJYSZSA-N	0	3	318.380	2.860	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC[C@@H]1CCN1C1CCCC1	ZINC000528211192	429862191	/nfs/dbraw/zinc/86/21/91/429862191.db2.gz	SCPQHHAJDDCICV-INIZCTEOSA-N	0	3	306.413	2.957	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000368554362	429865864	/nfs/dbraw/zinc/86/58/64/429865864.db2.gz	BVODZCDJURGNJK-XVSDVWIESA-N	0	3	324.380	2.562	20	30		DFEDHN
CCc1csc([C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)n1	ZINC000528366248	429879107	/nfs/dbraw/zinc/87/91/07/429879107.db2.gz	ZMPDNXXIKQDQHP-ZFWWWQNUSA-N	0	3	319.474	2.940	20	30		DFEDHN
COc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1C	ZINC000368637251	429882015	/nfs/dbraw/zinc/88/20/15/429882015.db2.gz	KEONJMFLTSGUDF-QGZVFWFLSA-N	0	3	323.396	2.924	20	30		DFEDHN
CC1(C)CN(C[C@H](O)CC2(C#N)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	ZINC000528496281	429893912	/nfs/dbraw/zinc/89/39/12/429893912.db2.gz	ZFRZNMUROVEFEY-OLMMMNRUSA-N	0	3	318.461	2.711	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)Cc2ccccc2O1	ZINC000528502567	429894002	/nfs/dbraw/zinc/89/40/02/429894002.db2.gz	HPZXJCSIADVGOE-HNNXBMFYSA-N	0	3	300.402	2.714	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@H]1Cc1cccc(OC)c1	ZINC000528749044	429912758	/nfs/dbraw/zinc/91/27/58/429912758.db2.gz	KHTBKXSCXGAYOD-KRWDZBQOSA-N	0	3	316.445	2.785	20	30		DFEDHN
Cc1cc(C)n(CCNC2(c3ccc(C#N)cc3)CCOCC2)n1	ZINC000528780339	429915317	/nfs/dbraw/zinc/91/53/17/429915317.db2.gz	CKQKLKLOCKDJEY-UHFFFAOYSA-N	0	3	324.428	2.667	20	30		DFEDHN
C#CCCNC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1	ZINC000369285555	429922676	/nfs/dbraw/zinc/92/26/76/429922676.db2.gz	PMMPIZSHTHHNBB-UHFFFAOYSA-N	0	3	313.445	2.530	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@]1(C#N)CC12CCCC2	ZINC000451690260	429871710	/nfs/dbraw/zinc/87/17/10/429871710.db2.gz	NTXPDEGXEKILTN-IIDMSEBBSA-N	0	3	301.434	2.546	20	30		DFEDHN
N#Cc1cccc(CNc2cnn(CCN3CCCCC3)c2)c1	ZINC000368589764	429872775	/nfs/dbraw/zinc/87/27/75/429872775.db2.gz	JJNWZNZMGINENG-UHFFFAOYSA-N	0	3	309.417	2.853	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000451696993	429873285	/nfs/dbraw/zinc/87/32/85/429873285.db2.gz	BRAQTYPFIXAFKF-LSTHTHJFSA-N	0	3	323.440	2.661	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000451708067	429876111	/nfs/dbraw/zinc/87/61/11/429876111.db2.gz	MDKYXXFEEXQAPZ-PKOBYXMFSA-N	0	3	310.445	2.884	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H](C#N)CCC#N)C1	ZINC000451708065	429876211	/nfs/dbraw/zinc/87/62/11/429876211.db2.gz	MDKYXXFEEXQAPZ-IEBWSBKVSA-N	0	3	310.445	2.884	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H](C#N)CCC#N)C1	ZINC000451708066	429876493	/nfs/dbraw/zinc/87/64/93/429876493.db2.gz	MDKYXXFEEXQAPZ-MJGOQNOKSA-N	0	3	310.445	2.884	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637120809	429987356	/nfs/dbraw/zinc/98/73/56/429987356.db2.gz	MSFWLPSWOSLWEO-CYBMUJFWSA-N	0	3	305.426	2.626	20	30		DFEDHN
C#CCCOc1ccc(CNC2(CO)Cc3ccccc3C2)cc1	ZINC000369379026	429934045	/nfs/dbraw/zinc/93/40/45/429934045.db2.gz	XKZDTPWKPWGTES-UHFFFAOYSA-N	0	3	321.420	2.708	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)Cc2ccccc2OC)CC1	ZINC000369403827	429937512	/nfs/dbraw/zinc/93/75/12/429937512.db2.gz	MSFXZLZQNFRZJC-UHFFFAOYSA-N	0	3	316.445	2.738	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccnc(C#N)c2)[C@@H]1c1cccs1	ZINC000557585389	429947382	/nfs/dbraw/zinc/94/73/82/429947382.db2.gz	JCNIKEAMCIPKDY-SUMWQHHRSA-N	0	3	312.442	2.932	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1	ZINC000637117736	429986528	/nfs/dbraw/zinc/98/65/28/429986528.db2.gz	CACLJUDEPNPCCG-HZMVEIRTSA-N	0	3	323.481	2.624	20	30		DFEDHN
C=CCN(C(=O)NC[C@H]1CCN1C1CCCCC1)[C@@H](C)COC	ZINC000637368000	430037559	/nfs/dbraw/zinc/03/75/59/430037559.db2.gz	NEOWWLHWZYQKFJ-DOTOQJQBSA-N	0	3	323.481	2.626	20	30		DFEDHN
Cc1ccccc1C[C@@H](C)NCc1cnc2c(C#N)cnn2c1	ZINC000559271430	430003543	/nfs/dbraw/zinc/00/35/43/430003543.db2.gz	BOQCFLOBARVFPZ-CQSZACIVSA-N	0	3	305.385	2.630	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	ZINC000639904985	430017516	/nfs/dbraw/zinc/01/75/16/430017516.db2.gz	OZLANDGCGJCYCG-NXHRZFHOSA-N	0	3	314.429	2.695	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000561845904	430101591	/nfs/dbraw/zinc/10/15/91/430101591.db2.gz	GLOKCJIJAJOOEA-LBPRGKRZSA-N	0	3	311.345	2.652	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000576937992	430108896	/nfs/dbraw/zinc/10/88/96/430108896.db2.gz	XVHHPPFKRQVNMU-KGLIPLIRSA-N	0	3	324.808	2.610	20	30		DFEDHN
CCN1C[C@H](C)N(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000577123405	430111199	/nfs/dbraw/zinc/11/11/99/430111199.db2.gz	LITKCBYVOMYTPI-XYJFISCASA-N	0	3	313.445	2.700	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@]2(CC=CCC2)C1	ZINC000530335892	430112523	/nfs/dbraw/zinc/11/25/23/430112523.db2.gz	HHEJPPSYRLCTIJ-WBVHZDCISA-N	0	3	301.434	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CC[C@H]1CCOC1)C(C)C	ZINC000267563859	276891404	/nfs/dbraw/zinc/89/14/04/276891404.db2.gz	HASZVNFQNVTYKI-DLBZAZTESA-N	0	3	308.466	2.618	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCCCC1	ZINC000529718112	430057921	/nfs/dbraw/zinc/05/79/21/430057921.db2.gz	JMIJESAOSJQWHM-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)C[C@H](CC(F)(F)F)[C@H]2C)C1=O	ZINC000640026285	430061791	/nfs/dbraw/zinc/06/17/91/430061791.db2.gz	ZGCOYPJWYVCPBO-LPWJVIDDSA-N	0	3	304.356	2.825	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N[C@H]3CCN(C4CCCC4)C3)CC2)c1	ZINC000532509903	430154152	/nfs/dbraw/zinc/15/41/52/430154152.db2.gz	GXIYLBDMVYTSBF-KRWDZBQOSA-N	0	3	323.440	2.723	20	30		DFEDHN
Cc1nc(NC(=O)C(C#N)c2ccc(C(F)(F)F)cn2)oc1C	ZINC000536622521	430170603	/nfs/dbraw/zinc/17/06/03/430170603.db2.gz	UHZVJYXUOKKADV-SNVBAGLBSA-N	0	3	324.262	2.951	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000562721420	430172911	/nfs/dbraw/zinc/17/29/11/430172911.db2.gz	RNBFWSLRMPBGDW-RDTXWAMCSA-N	0	3	303.450	2.697	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000562721418	430173274	/nfs/dbraw/zinc/17/32/74/430173274.db2.gz	RNBFWSLRMPBGDW-KDOFPFPSSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCc2cccs2)CC1	ZINC000539876082	430180245	/nfs/dbraw/zinc/18/02/45/430180245.db2.gz	FPCJGJKKSIDLDY-UHFFFAOYSA-N	0	3	307.463	2.630	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000577976731	430118283	/nfs/dbraw/zinc/11/82/83/430118283.db2.gz	MMWUNQJLYGYQMF-XZJROXQQSA-N	0	3	300.402	2.910	20	30		DFEDHN
N#Cc1ccc2nc(NC[C@@H]3CCCCN3C3CC3)ccc2c1	ZINC000579309366	430124616	/nfs/dbraw/zinc/12/46/16/430124616.db2.gz	UOOXVKJKXXNUAK-KRWDZBQOSA-N	0	3	306.413	3.535	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@@H]12	ZINC000531588241	430145918	/nfs/dbraw/zinc/14/59/18/430145918.db2.gz	UTMVLDBIAQVOTR-IXDOHACOSA-N	0	3	316.449	2.543	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@H](NC[C@@H](O)CN(C)CCC#N)CC2	ZINC000564873802	430200391	/nfs/dbraw/zinc/20/03/91/430200391.db2.gz	SAJZEFNHPNVDRW-IEBWSBKVSA-N	0	3	315.461	2.593	20	30		DFEDHN
C=CCCCC[C@@H](C)NC[C@H]1CS(=O)(=O)c2ccccc2O1	ZINC000564964781	430201759	/nfs/dbraw/zinc/20/17/59/430201759.db2.gz	CNLXBMJDSPWQCZ-CABCVRRESA-N	0	3	323.458	2.946	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)Cn2cc([C@H](N)CCC)nn2)c1C	ZINC000640799315	430260321	/nfs/dbraw/zinc/26/03/21/430260321.db2.gz	DHNNOJUDDVBBQK-OAHLLOKOSA-N	0	3	315.421	2.565	20	30		DFEDHN
C=CCN1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1	ZINC000566479405	430263484	/nfs/dbraw/zinc/26/34/84/430263484.db2.gz	RYARGWQXCCVFHA-UHFFFAOYSA-N	0	3	307.401	2.806	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000582286914	430285599	/nfs/dbraw/zinc/28/55/99/430285599.db2.gz	HFLMWPNZXHAHTJ-MBNYWOFBSA-N	0	3	303.431	2.953	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNCCO2	ZINC000567713149	430286368	/nfs/dbraw/zinc/28/63/68/430286368.db2.gz	KNKLVNLPQHQFRP-OAHLLOKOSA-N	0	3	301.390	2.741	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN(C)CC(C)(C)C	ZINC000635921462	430411874	/nfs/dbraw/zinc/41/18/74/430411874.db2.gz	ZCWITWBVUAENJZ-UHFFFAOYSA-N	0	3	322.449	2.655	20	30		DFEDHN
N#CCCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000568506024	430364015	/nfs/dbraw/zinc/36/40/15/430364015.db2.gz	JIKITFZKHSZHRT-UHFFFAOYSA-N	0	3	303.362	2.989	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2c(C#N)nnc3ccccc32)C[C@@H](C)C1	ZINC000568581947	430371644	/nfs/dbraw/zinc/37/16/44/430371644.db2.gz	FRKIZFWEDJTGLF-IYOUNJFTSA-N	0	3	321.428	2.668	20	30		DFEDHN
Cc1csc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1C#N	ZINC000583241741	430376257	/nfs/dbraw/zinc/37/62/57/430376257.db2.gz	UOWPELBSMKXHGQ-NEPJUHHUSA-N	0	3	304.419	2.629	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1Cl	ZINC000569064577	430417953	/nfs/dbraw/zinc/41/79/53/430417953.db2.gz	MMKIXRRWDMRIGL-HNNXBMFYSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000583874885	430437388	/nfs/dbraw/zinc/43/73/88/430437388.db2.gz	NTBSRTDEMJAFOX-HNNXBMFYSA-N	0	3	315.373	2.715	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1	ZINC000641768741	430467012	/nfs/dbraw/zinc/46/70/12/430467012.db2.gz	GYJQKEADTKTCHY-CYBMUJFWSA-N	0	3	311.809	2.611	20	30		DFEDHN
CO[C@H]1c2ccccc2C[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000569210474	430432312	/nfs/dbraw/zinc/43/23/12/430432312.db2.gz	YZIBHIJMFHIGTF-MJGOQNOKSA-N	0	3	318.380	2.608	20	30		DFEDHN
C=CCOCCNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000638967425	430483725	/nfs/dbraw/zinc/48/37/25/430483725.db2.gz	BFSHEVRQQOEOBS-UHFFFAOYSA-N	0	3	303.328	2.530	20	30		DFEDHN
CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1	ZINC000590569592	430487094	/nfs/dbraw/zinc/48/70/94/430487094.db2.gz	KAFQXGXZWLLDEW-GFCCVEGCSA-N	0	3	306.822	3.383	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000596053168	430505141	/nfs/dbraw/zinc/50/51/41/430505141.db2.gz	MAMCDNUVJVOQRQ-QGZVFWFLSA-N	0	3	321.428	3.160	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)n1	ZINC000596232554	430511491	/nfs/dbraw/zinc/51/14/91/430511491.db2.gz	VTRBCGXPOJXSFT-AUUYWEPGSA-N	0	3	323.444	3.322	20	30		DFEDHN
CSc1ccc(OC[C@H](O)CN2CCC(CC#N)CC2)cc1	ZINC000570378012	430537320	/nfs/dbraw/zinc/53/73/20/430537320.db2.gz	ZQXKMLSLBQHANW-OAHLLOKOSA-N	0	3	320.458	2.774	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1	ZINC000618568652	430594546	/nfs/dbraw/zinc/59/45/46/430594546.db2.gz	SBFQILALRMHTDZ-NVXWUHKLSA-N	0	3	321.428	3.227	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(N2c3ccccc3C[C@H]2C)CC1	ZINC000643383721	430596684	/nfs/dbraw/zinc/59/66/84/430596684.db2.gz	YDRQYNQFSTXJPV-BEFAXECRSA-N	0	3	300.446	2.839	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1	ZINC000571259391	430615632	/nfs/dbraw/zinc/61/56/32/430615632.db2.gz	PXJFGRKGQMPELP-SFHVURJKSA-N	0	3	312.417	2.816	20	30		DFEDHN
CS[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1N1CCCC1	ZINC000275408879	278168139	/nfs/dbraw/zinc/16/81/39/278168139.db2.gz	FWHOWOOKGOHLHD-HOTGVXAUSA-N	0	3	316.474	2.586	20	30		DFEDHN
NC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184809824	335088950	/nfs/dbraw/zinc/08/89/50/335088950.db2.gz	HECSNNJLKWCUGB-CABCVRRESA-N	0	3	324.346	2.691	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000246021901	278259100	/nfs/dbraw/zinc/25/91/00/278259100.db2.gz	OYIXUUMUINVIQJ-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
COCC#CCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000661428781	430712894	/nfs/dbraw/zinc/71/28/94/430712894.db2.gz	SHKZJYHJIZOQFJ-QGZVFWFLSA-N	0	3	307.821	2.671	20	30		DFEDHN
C=CCC1(NC(=O)NCCCN2CCCO[C@@H](C)C2)CCCC1	ZINC000664756064	430738415	/nfs/dbraw/zinc/73/84/15/430738415.db2.gz	CLADGDACXAFYBC-INIZCTEOSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCCc1ccco1	ZINC000644513022	430740157	/nfs/dbraw/zinc/74/01/57/430740157.db2.gz	AKOMBDMFLKCGTG-MRXNPFEDSA-N	0	3	301.386	2.580	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(OC)o1)C(C)C	ZINC000654781678	430811778	/nfs/dbraw/zinc/81/17/78/430811778.db2.gz	MYHAOURMFQDVON-CQSZACIVSA-N	0	3	306.406	2.717	20	30		DFEDHN
C=CCN(CC(=O)NCCc1c(F)cccc1F)C(C)(C)C	ZINC000661756470	430832321	/nfs/dbraw/zinc/83/23/21/430832321.db2.gz	QBVAWLHQZPVDEH-UHFFFAOYSA-N	0	3	310.388	2.910	20	30		DFEDHN
C=CC[C@H]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1	ZINC000651694561	430850961	/nfs/dbraw/zinc/85/09/61/430850961.db2.gz	HRWLHICKZUIWIK-GOEBONIOSA-N	0	3	302.418	2.847	20	30		DFEDHN
C=CCC1(NCc2csc(CC(=O)N(C)C)n2)CCCC1	ZINC000661847644	430863536	/nfs/dbraw/zinc/86/35/36/430863536.db2.gz	BPEQYJGGZNGNRC-UHFFFAOYSA-N	0	3	307.463	2.752	20	30		DFEDHN
C=CCOCCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000658210929	430842292	/nfs/dbraw/zinc/84/22/92/430842292.db2.gz	YVCKQVJDASQGSH-ZDUSSCGKSA-N	0	3	306.406	2.897	20	30		DFEDHN
C=CCOCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1	ZINC000658210583	430842758	/nfs/dbraw/zinc/84/27/58/430842758.db2.gz	USQADYLOFSCEDT-QGZVFWFLSA-N	0	3	303.381	2.831	20	30		DFEDHN
C=CC[C@H]1CC[C@H](NCC(=O)Nc2cc(OC)cc(OC)c2)C1	ZINC000651834211	430892602	/nfs/dbraw/zinc/89/26/02/430892602.db2.gz	JJZOWEJPKFPWQR-KBPBESRZSA-N	0	3	318.417	2.977	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000665361438	430910421	/nfs/dbraw/zinc/91/04/21/430910421.db2.gz	PGZXJWIPNRHDFM-OAHLLOKOSA-N	0	3	319.449	2.893	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1	ZINC000651955701	430925245	/nfs/dbraw/zinc/92/52/45/430925245.db2.gz	WHUUNQLLBFHKCS-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=C(CC)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425556818	335089251	/nfs/dbraw/zinc/08/92/51/335089251.db2.gz	AHVLPKUTCKLXKV-ZWKOTPCHSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1OC	ZINC000662082768	430951984	/nfs/dbraw/zinc/95/19/84/430951984.db2.gz	XUFYVGXFRUXKOX-CALCHBBNSA-N	0	3	314.429	2.837	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C1CCOCC1	ZINC000659115199	430952375	/nfs/dbraw/zinc/95/23/75/430952375.db2.gz	QLRAPHMSUJBGKC-INIZCTEOSA-N	0	3	324.384	2.737	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOc1cccc(F)c1	ZINC000662083522	430953093	/nfs/dbraw/zinc/95/30/93/430953093.db2.gz	FLMNAVZDYWGDGS-IYBDPMFKSA-N	0	3	318.392	2.504	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(CC)[C@@H]2CCN(C)C2)c1	ZINC000665848648	431050087	/nfs/dbraw/zinc/05/00/87/431050087.db2.gz	YFTBHMNHAWXGMC-OAHLLOKOSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000665901160	431064379	/nfs/dbraw/zinc/06/43/79/431064379.db2.gz	VQCQAJOFODNYRJ-UHFFFAOYSA-N	0	3	319.474	2.976	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000649329704	431068345	/nfs/dbraw/zinc/06/83/45/431068345.db2.gz	AGKRSWYNBUAQHV-ZYHUDNBSSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=C(CNC(=O)N(CCC)[C@@H]1CCN(C)C1)c1ccccc1	ZINC000645505541	431018071	/nfs/dbraw/zinc/01/80/71/431018071.db2.gz	WWXIQBPALIRVSI-QGZVFWFLSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=CCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F	ZINC000665947199	431072407	/nfs/dbraw/zinc/07/24/07/431072407.db2.gz	FWOHOSKLCAGACE-UHFFFAOYSA-N	0	3	311.376	2.614	20	30		DFEDHN
C=CCn1c(N(C)CCN2CCCCC2)nnc1C(C)(C)C	ZINC000652567995	431088494	/nfs/dbraw/zinc/08/84/94/431088494.db2.gz	MCXADVOJJQPQCZ-UHFFFAOYSA-N	0	3	305.470	2.684	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCN(CC2CCOCC2)CC1	ZINC000172424990	279596556	/nfs/dbraw/zinc/59/65/56/279596556.db2.gz	YLDYZCFXMXPTGQ-MRXNPFEDSA-N	0	3	313.445	2.663	20	30		DFEDHN
FC(F)(F)C(F)(F)COCCN1CC[C@@]2(CC2(F)F)C1	ZINC000649908003	431366026	/nfs/dbraw/zinc/36/60/26/431366026.db2.gz	DVWHFKZPDXRUFZ-MRVPVSSYSA-N	0	3	309.225	2.932	20	30		DFEDHN
C=CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](C)COC	ZINC000663416798	431414393	/nfs/dbraw/zinc/41/43/93/431414393.db2.gz	RNCCRPUCJZACIL-NVXWUHKLSA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000660703473	431559521	/nfs/dbraw/zinc/55/95/21/431559521.db2.gz	UDYZIMAKRYIWKY-ZACQAIPSSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000660667539	431542462	/nfs/dbraw/zinc/54/24/62/431542462.db2.gz	MHFMESGCFVWZFJ-CQSZACIVSA-N	0	3	310.388	2.804	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)cc(N(C)C)c2)CC1	ZINC000650436453	431564890	/nfs/dbraw/zinc/56/48/90/431564890.db2.gz	UZPLEZSZYBGLED-UHFFFAOYSA-N	0	3	320.412	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ncccc2SC)CC1	ZINC000650443836	431567764	/nfs/dbraw/zinc/56/77/64/431567764.db2.gz	WGUICAUNHZQBTQ-UHFFFAOYSA-N	0	3	306.435	2.575	20	30		DFEDHN
C=CCCn1cc(CNCCc2cccc3cccnc32)nn1	ZINC000657301997	431658080	/nfs/dbraw/zinc/65/80/80/431658080.db2.gz	LNCRGNKUVCUOGH-UHFFFAOYSA-N	0	3	307.401	2.735	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)CN1CCC[C@H](C)C1	ZINC000660840724	431623200	/nfs/dbraw/zinc/62/32/00/431623200.db2.gz	IWLQCSWMQQQVKM-QSPRXWTASA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C)CCc2ccc(O)cc2)nn1	ZINC000657345912	431689701	/nfs/dbraw/zinc/68/97/01/431689701.db2.gz	AJLQIRWSDFGAHF-AWEZNQCLSA-N	0	3	300.406	2.671	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1cc(=O)n2ccsc2n1	ZINC000661117381	431739840	/nfs/dbraw/zinc/73/98/40/431739840.db2.gz	QLJVPROEBHAPBK-TZMCWYRMSA-N	0	3	303.431	2.981	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(C)OC[C@@H]2CC)CC1	ZINC000650852296	431721428	/nfs/dbraw/zinc/72/14/28/431721428.db2.gz	YKAKFMALBKPPNP-INIZCTEOSA-N	0	3	323.481	2.626	20	30		DFEDHN
C[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000292192617	288258670	/nfs/dbraw/zinc/25/86/70/288258670.db2.gz	GHGOERKFFNYWOC-ZDUSSCGKSA-N	0	3	314.389	2.777	20	30		DFEDHN
C=CCC1(NCc2nccn2CC(F)(F)F)CCOCC1	ZINC000657632885	431830810	/nfs/dbraw/zinc/83/08/10/431830810.db2.gz	ASJAOPBQXXMUJT-UHFFFAOYSA-N	0	3	303.328	2.660	20	30		DFEDHN
C=CCCn1cc(CNCCc2cn(C)c3ccccc23)nn1	ZINC000657661796	431834510	/nfs/dbraw/zinc/83/45/10/431834510.db2.gz	LNYUARBNDCDISX-UHFFFAOYSA-N	0	3	309.417	2.678	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2OC)C1	ZINC000661379052	431836857	/nfs/dbraw/zinc/83/68/57/431836857.db2.gz	RKUZZFIYAHJGIH-MRXNPFEDSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCCc2ccc(F)cc2)C1	ZINC000661376356	431837312	/nfs/dbraw/zinc/83/73/12/431837312.db2.gz	BFHXVXSOKSAMGL-MRXNPFEDSA-N	0	3	304.409	2.773	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCC[C@@H]1CN1CCOCC1	ZINC000075968719	290218721	/nfs/dbraw/zinc/21/87/21/290218721.db2.gz	HRXWFYFUSQHNGA-VQIMIIECSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCC[C@@H]1CN1CCOCC1	ZINC000189907016	290245853	/nfs/dbraw/zinc/24/58/53/290245853.db2.gz	MLBFHFUFWVRNLB-VQIMIIECSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)CCN1C	ZINC000157556019	295350338	/nfs/dbraw/zinc/35/03/38/295350338.db2.gz	MYZPGFQZSFRSNA-FZMZJTMJSA-N	0	3	305.809	2.766	20	30		DFEDHN
CC[C@H](C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163102115	295420374	/nfs/dbraw/zinc/42/03/74/295420374.db2.gz	PMCYHBIHFAMCBE-KBPBESRZSA-N	0	3	308.447	2.746	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)cc2OC)CCCCC1	ZINC000535045782	301245038	/nfs/dbraw/zinc/24/50/38/301245038.db2.gz	PRGXEFANJMPSAI-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
CC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C1CCOCC1	ZINC000539425505	301342503	/nfs/dbraw/zinc/34/25/03/301342503.db2.gz	ULAFJMOBEDIYLB-QGZVFWFLSA-N	0	3	316.401	2.640	20	30		DFEDHN
Cn1cc(CN2CCC(CCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000540914024	301375250	/nfs/dbraw/zinc/37/52/50/301375250.db2.gz	RBHCQJMBDRLOPU-UHFFFAOYSA-N	0	3	324.428	2.553	20	30		DFEDHN
CCN(CC)[C@H](CNc1ccncc1C#N)c1ccsc1	ZINC000548154392	301569971	/nfs/dbraw/zinc/56/99/71/301569971.db2.gz	OBGDYFONKMTYKX-MRXNPFEDSA-N	0	3	300.431	2.932	20	30		DFEDHN
Cc1ccc(NC(=O)CCNC2(c3cccc(C#N)c3)CC2)nc1	ZINC000551412009	301660850	/nfs/dbraw/zinc/66/08/50/301660850.db2.gz	ZWOABRROAFFKTJ-UHFFFAOYSA-N	0	3	320.396	2.869	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000566300245	302276816	/nfs/dbraw/zinc/27/68/16/302276816.db2.gz	KIRQHIYCAQCALS-INIZCTEOSA-N	0	3	317.389	2.887	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000566738714	302308189	/nfs/dbraw/zinc/30/81/89/302308189.db2.gz	NVZVGGINZJXVMV-CYBMUJFWSA-N	0	3	315.808	2.582	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CNCc2ccc(C#N)s2)c1	ZINC000568384537	302445522	/nfs/dbraw/zinc/44/55/22/302445522.db2.gz	MAQJSZHOLCAIPB-CQSZACIVSA-N	0	3	316.426	2.766	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccco2)cc1	ZINC000116290934	303196150	/nfs/dbraw/zinc/19/61/50/303196150.db2.gz	XYEXYEHDPAYUHQ-RDJZCZTQSA-N	0	3	312.369	2.728	20	30		DFEDHN
COc1ccc(C(=O)NCCN[C@H](C)c2cccc(C#N)c2)cc1	ZINC000181921807	316078381	/nfs/dbraw/zinc/07/83/81/316078381.db2.gz	UHKVXLJGJPKXFA-CQSZACIVSA-N	0	3	323.396	2.647	20	30		DFEDHN
CC1(C)C(CNCCS(=O)(=O)c2ccc(C#N)cc2)C1(C)C	ZINC000316783278	316246014	/nfs/dbraw/zinc/24/60/14/316246014.db2.gz	ZAKDGPZNDADNPE-UHFFFAOYSA-N	0	3	320.458	2.604	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000316985720	316246900	/nfs/dbraw/zinc/24/69/00/316246900.db2.gz	KROSBRFEATWRAD-FMKPAKJESA-N	0	3	320.458	2.746	20	30		DFEDHN
CC(C)C(CNCCS(=O)(=O)c1cccc(C#N)c1)C(C)C	ZINC000319285847	316251504	/nfs/dbraw/zinc/25/15/04/316251504.db2.gz	YZQYLSQETLEIDW-UHFFFAOYSA-N	0	3	322.474	2.850	20	30		DFEDHN
C[C@@H](c1ccco1)N(C[C@H]1CNc2c(C#N)cnn2C1)C1CC1	ZINC000572763828	318003200	/nfs/dbraw/zinc/00/32/00/318003200.db2.gz	CNTJSWZAVUNNNI-QWHCGFSZSA-N	0	3	311.389	2.615	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC2(CCC2)O1	ZINC000576276833	318115559	/nfs/dbraw/zinc/11/55/59/318115559.db2.gz	AZFNFIRTVUKSPH-CQSZACIVSA-N	0	3	313.401	2.530	20	30		DFEDHN
Cc1oc(NC(=O)CN(CC2CC2)C2CCC2)c(C#N)c1C	ZINC000576564504	318134521	/nfs/dbraw/zinc/13/45/21/318134521.db2.gz	LAFZQUVLJAHYQH-UHFFFAOYSA-N	0	3	301.390	2.971	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(C2CC2)CC1	ZINC000579450791	318331294	/nfs/dbraw/zinc/33/12/94/318331294.db2.gz	UBLKPKRJKGEBLW-IBGZPJMESA-N	0	3	323.440	2.926	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1ncc(C#N)cc1C	ZINC000579864862	318359629	/nfs/dbraw/zinc/35/96/29/318359629.db2.gz	YFUWMCCJEQBMNG-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1	ZINC000579957407	318365881	/nfs/dbraw/zinc/36/58/81/318365881.db2.gz	AUXXWQHQPREQNY-BMFZPTHFSA-N	0	3	313.357	2.514	20	30		DFEDHN
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1cccc(C#N)c1	ZINC000381066705	323292723	/nfs/dbraw/zinc/29/27/23/323292723.db2.gz	NLCUCLKUZGWDMX-QWHCGFSZSA-N	0	3	303.406	2.950	20	30		DFEDHN
CC1(C)CCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000388935564	323333108	/nfs/dbraw/zinc/33/31/08/323333108.db2.gz	CJORSHSBDKKFIL-HNNXBMFYSA-N	0	3	320.458	2.748	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C#N)n1	ZINC000398063206	323356529	/nfs/dbraw/zinc/35/65/29/323356529.db2.gz	NBURPDRSOXHZQG-BEFAXECRSA-N	0	3	306.413	2.759	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399399842	323358740	/nfs/dbraw/zinc/35/87/40/323358740.db2.gz	AAMKIPVELRVABV-QAPCUYQASA-N	0	3	306.413	2.759	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399399844	323358959	/nfs/dbraw/zinc/35/89/59/323358959.db2.gz	AAMKIPVELRVABV-YJBOKZPZSA-N	0	3	306.413	2.759	20	30		DFEDHN
C[C@H](CCC(C)(C)C)NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000580423091	323383680	/nfs/dbraw/zinc/38/36/80/323383680.db2.gz	DNLOQHZBYKULRT-CYBMUJFWSA-N	0	3	323.462	2.531	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN[C@H]2CCCc3occc32)cc1	ZINC000581721103	323564248	/nfs/dbraw/zinc/56/42/48/323564248.db2.gz	FVYMCZQBTPXQEE-PBHICJAKSA-N	0	3	312.369	2.558	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2ccccc2F)C1	ZINC000558634009	331930707	/nfs/dbraw/zinc/93/07/07/331930707.db2.gz	DSQBZYXHKOWIIB-GJZGRUSLSA-N	0	3	300.381	2.685	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)N1CCCCC1	ZINC000518111204	331991600	/nfs/dbraw/zinc/99/16/00/331991600.db2.gz	LSBMHIVMULLUAC-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)c(C3CC3)c2)CC1	ZINC000490995332	332942580	/nfs/dbraw/zinc/94/25/80/332942580.db2.gz	IULFSLBCKHBDDT-UHFFFAOYSA-N	0	3	300.377	2.987	20	30		DFEDHN
CN(C(=O)CN[C@@H]1CC(C)(C)OC1(C)C)C1(C#N)CCCCC1	ZINC000132509593	332130539	/nfs/dbraw/zinc/13/05/39/332130539.db2.gz	IDGMPFXQJPDMCT-CQSZACIVSA-N	0	3	321.465	2.607	20	30		DFEDHN
C[C@H]1C[C@H](c2ccccc2F)N(CCC(=O)N(C)CCC#N)C1	ZINC000092798053	332131056	/nfs/dbraw/zinc/13/10/56/332131056.db2.gz	JDGSFFOEAGURGX-WMLDXEAASA-N	0	3	317.408	2.971	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)COC	ZINC000427119054	332168876	/nfs/dbraw/zinc/16/88/76/332168876.db2.gz	FEMWKWORXIXVQP-CQSZACIVSA-N	0	3	324.494	2.620	20	30		DFEDHN
N#CCCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000102401762	332225668	/nfs/dbraw/zinc/22/56/68/332225668.db2.gz	HCCLNVHUJWXWMR-OAHLLOKOSA-N	0	3	304.369	2.715	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000184900611	335095764	/nfs/dbraw/zinc/09/57/64/335095764.db2.gz	CMNXFVLBJNWVPG-OAHLLOKOSA-N	0	3	316.449	2.915	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000292910690	335097769	/nfs/dbraw/zinc/09/77/69/335097769.db2.gz	HHROWQMGKYIQQJ-UKRRQHHQSA-N	0	3	303.381	2.989	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCCO1)C(C)C	ZINC000119705474	332277446	/nfs/dbraw/zinc/27/74/46/332277446.db2.gz	ZUDRYXFZZAHLDO-ZACQAIPSSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000115552709	332333453	/nfs/dbraw/zinc/33/34/53/332333453.db2.gz	AFQFBOHGJHFUIP-SJLPKXTDSA-N	0	3	324.428	2.520	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H](O)c1cccc(OC)c1	ZINC000237318475	332337962	/nfs/dbraw/zinc/33/79/62/332337962.db2.gz	KJFGNWKDDDKPBX-SFHVURJKSA-N	0	3	311.381	2.530	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000583358227	332350002	/nfs/dbraw/zinc/35/00/02/332350002.db2.gz	JBMSSUMSNGIKKS-MSOLQXFVSA-N	0	3	313.445	2.861	20	30		DFEDHN
COc1ccc(CN[C@]2(C)CCOC2)cc1OCCCC#N	ZINC000120240722	332384631	/nfs/dbraw/zinc/38/46/31/332384631.db2.gz	FRCCVEMMIUOXKM-QGZVFWFLSA-N	0	3	304.390	2.646	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1	ZINC000246535957	332521065	/nfs/dbraw/zinc/52/10/65/332521065.db2.gz	LNJZXHVHMDRDLD-HLLBOEOZSA-N	0	3	305.466	2.999	20	30		DFEDHN
N#CC1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1	ZINC000151589195	332591389	/nfs/dbraw/zinc/59/13/89/332591389.db2.gz	ZEJIHDVMPYNDDK-AWEZNQCLSA-N	0	3	312.335	2.844	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)CC1	ZINC000188040936	333017778	/nfs/dbraw/zinc/01/77/78/333017778.db2.gz	FHODKEVGDFGFDG-SJORKVTESA-N	0	3	323.481	2.530	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(F)cc1C(F)(F)F	ZINC000294015866	335116916	/nfs/dbraw/zinc/11/69/16/335116916.db2.gz	QCSZWQZOAFQPPT-UHFFFAOYSA-N	0	3	316.298	2.529	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(Oc2ccccc2)o1	ZINC000294024504	335117096	/nfs/dbraw/zinc/11/70/96/335117096.db2.gz	QXKZLZKRMWJTME-UHFFFAOYSA-N	0	3	312.369	2.757	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c[nH]cc1-c1ccc(C)s1	ZINC000294040155	335117239	/nfs/dbraw/zinc/11/72/39/335117239.db2.gz	SJAMUZMJOMAHNG-UHFFFAOYSA-N	0	3	315.442	2.737	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1	ZINC000294070617	335119805	/nfs/dbraw/zinc/11/98/05/335119805.db2.gz	VTWKMVIHWCCMQI-UHFFFAOYSA-N	0	3	313.376	2.506	20	30		DFEDHN
CN1CCC(C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000174695357	333089361	/nfs/dbraw/zinc/08/93/61/333089361.db2.gz	WXHXJTJQSXDTOM-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
Cc1ccc(N2CCCN(CCCC(C)(C)C#N)CC2)nn1	ZINC000174848584	333091904	/nfs/dbraw/zinc/09/19/04/333091904.db2.gz	LBSSFFPVUWGMEU-UHFFFAOYSA-N	0	3	301.438	2.627	20	30		DFEDHN
COC(=O)[C@]1(C)CCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000178546720	333140649	/nfs/dbraw/zinc/14/06/49/333140649.db2.gz	VGWBXJGRAFCTNY-GOSISDBHSA-N	0	3	300.402	2.873	20	30		DFEDHN
COC[C@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000179366639	333149847	/nfs/dbraw/zinc/14/98/47/333149847.db2.gz	XCCQDLLWTUHDLT-HNNXBMFYSA-N	0	3	312.417	2.930	20	30		DFEDHN
C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1	ZINC000180867770	333165665	/nfs/dbraw/zinc/16/56/65/333165665.db2.gz	RYCZFYDUVRXZFW-YOJQOHNYSA-N	0	3	319.792	2.517	20	30		DFEDHN
CCC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000180866026	333165716	/nfs/dbraw/zinc/16/57/16/333165716.db2.gz	SYFSPQFFHHOCOR-DVEDPGPFSA-N	0	3	313.401	2.644	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](Cc1ccccc1)C1CC1	ZINC000181555026	333170127	/nfs/dbraw/zinc/17/01/27/333170127.db2.gz	FIZDNHFOXGWXIR-MAUKXSAKSA-N	0	3	313.445	2.605	20	30		DFEDHN
C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181763988	333172053	/nfs/dbraw/zinc/17/20/53/333172053.db2.gz	DLTGQWIIIZTSCG-ASSNKEHSSA-N	0	3	308.447	2.787	20	30		DFEDHN
C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)c1ccccc1	ZINC000181773061	333172360	/nfs/dbraw/zinc/17/23/60/333172360.db2.gz	NEPVTYZPYGDEIS-LIRRHRJNSA-N	0	3	313.445	2.751	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000185315550	335126894	/nfs/dbraw/zinc/12/68/94/335126894.db2.gz	KTZSABTWSMWZIP-UHFFFAOYSA-N	0	3	311.429	2.642	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC1	ZINC000309656949	333186372	/nfs/dbraw/zinc/18/63/72/333186372.db2.gz	JWQSVQGNDDXETJ-QGZVFWFLSA-N	0	3	311.429	2.709	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000582059503	333193619	/nfs/dbraw/zinc/19/36/19/333193619.db2.gz	PMYUSNXNTCFFNB-DLBZAZTESA-N	0	3	320.481	2.976	20	30		DFEDHN
CCN(CCNC(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1	ZINC000184332110	333195467	/nfs/dbraw/zinc/19/54/67/333195467.db2.gz	GKIPVDYRDUASIB-CYBMUJFWSA-N	0	3	316.405	2.583	20	30		DFEDHN
COc1cc(OC)c(OC)cc1CN[C@@H]1CCC[C@@H](C#N)C1	ZINC000185812744	333214488	/nfs/dbraw/zinc/21/44/88/333214488.db2.gz	RTQZTGRWUINLTR-TZMCWYRMSA-N	0	3	304.390	2.884	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1	ZINC000185824250	333214643	/nfs/dbraw/zinc/21/46/43/333214643.db2.gz	GYHSQWCEFMBDJU-GUTXKFCHSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCc1cc(CN2CC[C@](C)(COC)C2)cc(OC)c1O	ZINC000295028980	335129861	/nfs/dbraw/zinc/12/98/61/335129861.db2.gz	CZWRBHWOAKOJFK-SFHVURJKSA-N	0	3	305.418	2.988	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1OCCCC#N	ZINC000189338417	333257189	/nfs/dbraw/zinc/25/71/89/333257189.db2.gz	LJWSRLOOQGQMOV-IRXDYDNUSA-N	0	3	318.417	2.627	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1	ZINC000295100203	335131987	/nfs/dbraw/zinc/13/19/87/335131987.db2.gz	KGBPIVUTZVNCOJ-CRAIPNDOSA-N	0	3	314.429	2.547	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1	ZINC000194646116	333315127	/nfs/dbraw/zinc/31/51/27/333315127.db2.gz	LOUUTZNLNZRUOO-KCPJHIHWSA-N	0	3	305.809	2.928	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](c1cccnc1)C1CCCCC1	ZINC000364518170	333324024	/nfs/dbraw/zinc/32/40/24/333324024.db2.gz	DNOBGHGHJCPFFC-PBHICJAKSA-N	0	3	301.434	2.983	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1	ZINC000295409261	335134009	/nfs/dbraw/zinc/13/40/09/335134009.db2.gz	SGOWSNGCFUYSFM-OAHLLOKOSA-N	0	3	314.429	2.808	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1cnn(CCN2CCCCC2)c1	ZINC000364940600	333333222	/nfs/dbraw/zinc/33/32/22/333333222.db2.gz	MTCGMJNWMHFKNH-OAHLLOKOSA-N	0	3	304.438	2.910	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	ZINC000364952509	333333369	/nfs/dbraw/zinc/33/33/69/333333369.db2.gz	CYFLYWISKPPQBK-JLJPHGGASA-N	0	3	311.429	2.574	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC000364952708	333333383	/nfs/dbraw/zinc/33/33/83/333333383.db2.gz	CYFLYWISKPPQBK-YSVLISHTSA-N	0	3	311.429	2.574	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000364986501	333333742	/nfs/dbraw/zinc/33/37/42/333333742.db2.gz	YULMZQKSACTSJV-IRXDYDNUSA-N	0	3	301.434	2.822	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)[C@@H]1CCCc2cccnc21	ZINC000364999618	333333952	/nfs/dbraw/zinc/33/39/52/333333952.db2.gz	ILWLXDHJZWLMLB-MRXNPFEDSA-N	0	3	314.433	2.543	20	30		DFEDHN
C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000119340174	333343310	/nfs/dbraw/zinc/34/33/10/333343310.db2.gz	UVRANXMESACQTA-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2CC)cc1	ZINC000295471300	335135265	/nfs/dbraw/zinc/13/52/65/335135265.db2.gz	ZHAYOLBJBNVDKF-KRWDZBQOSA-N	0	3	314.429	2.645	20	30		DFEDHN
C=CCOc1cccc(CN[C@@]2(CO)C[C@@H](OCC)C2(C)C)c1	ZINC000186595652	333375160	/nfs/dbraw/zinc/37/51/60/333375160.db2.gz	OSQXMOCEPWQROI-IEBWSBKVSA-N	0	3	319.445	2.907	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000295928143	335138637	/nfs/dbraw/zinc/13/86/37/335138637.db2.gz	SGGFAAKPAMVAID-RDJZCZTQSA-N	0	3	316.445	2.735	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1	ZINC000295829254	335139945	/nfs/dbraw/zinc/13/99/45/335139945.db2.gz	MJMGGIYCDUWBOU-QAPCUYQASA-N	0	3	314.429	2.501	20	30		DFEDHN
C=CCCC[C@H](C)N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000337441548	333449302	/nfs/dbraw/zinc/44/93/02/333449302.db2.gz	GLLGYFNJLFLUGT-HNNXBMFYSA-N	0	3	314.495	2.621	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1S(C)(=O)=O	ZINC000446899003	333459619	/nfs/dbraw/zinc/45/96/19/333459619.db2.gz	GAAWPEYDUVOUFR-DZGCQCFKSA-N	0	3	306.431	2.571	20	30		DFEDHN
C=C[C@H](CO)N[C@H]1CCc2c1ccc(F)c2Br	ZINC000296133406	335141785	/nfs/dbraw/zinc/14/17/85/335141785.db2.gz	UQAPNOLRZMEFHV-PELKAZGASA-N	0	3	300.171	2.712	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000373824732	333500183	/nfs/dbraw/zinc/50/01/83/333500183.db2.gz	RPQUKSCTZGZEIM-OAHLLOKOSA-N	0	3	322.474	2.708	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1	ZINC000339027192	333506465	/nfs/dbraw/zinc/50/64/65/333506465.db2.gz	BHKMMFXFCXSMHS-CRAIPNDOSA-N	0	3	323.440	2.980	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)OCC	ZINC000339201383	333512912	/nfs/dbraw/zinc/51/29/12/333512912.db2.gz	RPTIBHFZDLBFMV-IAGOWNOFSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)NC1CCN(CC)CC1	ZINC000339519493	333527756	/nfs/dbraw/zinc/52/77/56/333527756.db2.gz	SLYFRWUGJSDUKT-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CC(C)C1)C(C)C	ZINC000531559147	333536571	/nfs/dbraw/zinc/53/65/71/333536571.db2.gz	LRKFBTOTAYLCQQ-PQUAAJSLSA-N	0	3	303.450	2.741	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1	ZINC000297090390	335149310	/nfs/dbraw/zinc/14/93/10/335149310.db2.gz	ZYNHIZDTNMLPCL-QGZVFWFLSA-N	0	3	317.408	2.627	20	30		DFEDHN
CCO[C@H]1C[C@H]1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000563592120	333631937	/nfs/dbraw/zinc/63/19/37/333631937.db2.gz	CDJOGSVEDROPIB-ZBFHGGJFSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000297291494	335152503	/nfs/dbraw/zinc/15/25/03/335152503.db2.gz	HAPFIMXXHDBKFG-OAHLLOKOSA-N	0	3	307.463	2.887	20	30		DFEDHN
N#CC1(CCN2CCN(C[C@H]3CCOC3)CC2)CCCCC1	ZINC000411309080	333652385	/nfs/dbraw/zinc/65/23/85/333652385.db2.gz	LCMJPIJDBYQNHA-QGZVFWFLSA-N	0	3	305.466	2.505	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000411434487	333671219	/nfs/dbraw/zinc/67/12/19/333671219.db2.gz	VWCMBTPQAASRFG-HOTGVXAUSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1cccc(CN2CCCCC2)c1	ZINC000412287258	333744483	/nfs/dbraw/zinc/74/44/83/333744483.db2.gz	IKVNNJUDBKKQEI-UHFFFAOYSA-N	0	3	316.445	2.947	20	30		DFEDHN
CCn1cnnc1[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343410634	335162901	/nfs/dbraw/zinc/16/29/01/335162901.db2.gz	CHLATAPCFNFTHF-KRWDZBQOSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@H]2c2ccnn2C)cc1	ZINC000343383845	335161197	/nfs/dbraw/zinc/16/11/97/335161197.db2.gz	IVSBEDJQGAPBJP-FUHWJXTLSA-N	0	3	313.401	2.605	20	30		DFEDHN
COC(=O)COc1ccccc1[C@H](C)NCC(C)(C)CC#N	ZINC000414160377	333914935	/nfs/dbraw/zinc/91/49/35/333914935.db2.gz	CSRNTINWVPPWIU-ZDUSSCGKSA-N	0	3	304.390	2.829	20	30		DFEDHN
CS(=O)(=O)c1ccc(CNCC2CCC(C#N)CC2)s1	ZINC000414434844	333974192	/nfs/dbraw/zinc/97/41/92/333974192.db2.gz	AASGWQGDCPBHSO-UHFFFAOYSA-N	0	3	312.460	2.571	20	30		DFEDHN
N#Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)s1	ZINC000267226509	333981073	/nfs/dbraw/zinc/98/10/73/333981073.db2.gz	UWNKGHVFVQBLMB-UHFFFAOYSA-N	0	3	313.426	2.746	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)c1ccc(CC#N)cc1	ZINC000270250282	334009811	/nfs/dbraw/zinc/00/98/11/334009811.db2.gz	UNFXDFVOHUKXMZ-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343536014	335170431	/nfs/dbraw/zinc/17/04/31/335170431.db2.gz	RBTMGRXAWFURDU-SFHVURJKSA-N	0	3	313.445	2.737	20	30		DFEDHN
COc1ccc(CN(CCO)C(C)C)cc1OCCCC#N	ZINC000271048266	334017532	/nfs/dbraw/zinc/01/75/32/334017532.db2.gz	SYSSASHOKGSMND-UHFFFAOYSA-N	0	3	306.406	2.580	20	30		DFEDHN
CCCN(CCO)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000271041829	334017639	/nfs/dbraw/zinc/01/76/39/334017639.db2.gz	OUXYWWCYFMPIMG-UHFFFAOYSA-N	0	3	306.406	2.582	20	30		DFEDHN
C=CCOc1cccc(CN2CCSC[C@H](C(=O)OC)C2)c1	ZINC000414570512	334024201	/nfs/dbraw/zinc/02/42/01/334024201.db2.gz	RROIZFAOHJTUFK-OAHLLOKOSA-N	0	3	321.442	2.589	20	30		DFEDHN
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(OCC#N)cc1	ZINC000271870348	334028144	/nfs/dbraw/zinc/02/81/44/334028144.db2.gz	MNAYZZBLOUEYJX-YOEHRIQHSA-N	0	3	316.401	2.925	20	30		DFEDHN
Cc1ccc(N(C)C2CCN(CCC(C)(C)C#N)CC2)nn1	ZINC000272028017	334029646	/nfs/dbraw/zinc/02/96/46/334029646.db2.gz	OMJUNCHQZYCXFE-UHFFFAOYSA-N	0	3	301.438	2.626	20	30		DFEDHN
C[C@H](NCCC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000272004767	334029738	/nfs/dbraw/zinc/02/97/38/334029738.db2.gz	IUMOMYFFLRGCLA-ZDUSSCGKSA-N	0	3	323.462	2.527	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1	ZINC000272073796	334030557	/nfs/dbraw/zinc/03/05/57/334030557.db2.gz	KCWYRJAJFVOWGH-GOSISDBHSA-N	0	3	317.408	2.937	20	30		DFEDHN
C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000353407229	334031814	/nfs/dbraw/zinc/03/18/14/334031814.db2.gz	RLCZVADXSAIKPT-ZIAGYGMSSA-N	0	3	310.463	2.942	20	30		DFEDHN
CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1	ZINC000272316484	334032881	/nfs/dbraw/zinc/03/28/81/334032881.db2.gz	XSHGLIXUXQGAIN-ZACQAIPSSA-N	0	3	320.458	2.977	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccccc1	ZINC000272538699	334037026	/nfs/dbraw/zinc/03/70/26/334037026.db2.gz	CCUKCGWEVWZPFM-MRXNPFEDSA-N	0	3	314.433	2.625	20	30		DFEDHN
CC1(C#N)CCN(C[C@H](O)COCc2ccccc2Cl)CC1	ZINC000272560107	334037141	/nfs/dbraw/zinc/03/71/41/334037141.db2.gz	LPJUXESIEYMSMK-HNNXBMFYSA-N	0	3	322.836	2.843	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC#N	ZINC000273084776	334043111	/nfs/dbraw/zinc/04/31/11/334043111.db2.gz	LUKLVNLQMJTVBA-INIZCTEOSA-N	0	3	314.433	2.596	20	30		DFEDHN
N#CCCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000273209766	334044445	/nfs/dbraw/zinc/04/44/45/334044445.db2.gz	UAXCPPSMQACOCO-KRWDZBQOSA-N	0	3	314.433	2.644	20	30		DFEDHN
C/C=C/C[C@@H](CO)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000274603396	334063827	/nfs/dbraw/zinc/06/38/27/334063827.db2.gz	QRPBCEHEDUERMV-CWDCEQMOSA-N	0	3	318.417	2.794	20	30		DFEDHN
C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000274671682	334064939	/nfs/dbraw/zinc/06/49/39/334064939.db2.gz	YAMDOSLPAGVNMP-GMXVVIOVSA-N	0	3	310.394	2.572	20	30		DFEDHN
CN(CCN(CCC#N)Cc1ccccn1)Cc1ccccc1	ZINC000278658447	334099385	/nfs/dbraw/zinc/09/93/85/334099385.db2.gz	QGPYKYQWZGVVQZ-UHFFFAOYSA-N	0	3	308.429	2.929	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000279716312	334111344	/nfs/dbraw/zinc/11/13/44/334111344.db2.gz	AXGHXVKNGIQEJG-OAHLLOKOSA-N	0	3	313.445	2.902	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038335	334113802	/nfs/dbraw/zinc/11/38/02/334113802.db2.gz	VHOZFLBPVNUKDG-DYVFJYSZSA-N	0	3	311.429	2.700	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280430832	334117346	/nfs/dbraw/zinc/11/73/46/334117346.db2.gz	DNTVCZDCPVEAOU-UHFFFAOYSA-N	0	3	313.445	2.902	20	30		DFEDHN
CC[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](CC)CN1C(C)=O	ZINC000343612322	335177397	/nfs/dbraw/zinc/17/73/97/335177397.db2.gz	OJAXTYAGTJWQRT-RBUKOAKNSA-N	0	3	313.445	2.974	20	30		DFEDHN
C=CCc1cc(CNCCc2ncc(C)cn2)cc(OC)c1O	ZINC000340107544	334127616	/nfs/dbraw/zinc/12/76/16/334127616.db2.gz	GMVQDSMNZZATLV-UHFFFAOYSA-N	0	3	313.401	2.560	20	30		DFEDHN
CN(Cc1nccs1)[C@@H]1CC12CCN(CCCC#N)CC2	ZINC000282723009	334136510	/nfs/dbraw/zinc/13/65/10/334136510.db2.gz	BYZRVWVOEXPEOL-CQSZACIVSA-N	0	3	304.463	2.733	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)[C@@](C)(C#N)CC)N(C)C)cc1	ZINC000284923196	334145085	/nfs/dbraw/zinc/14/50/85/334145085.db2.gz	IONZAWPNEAEOHV-SJLPKXTDSA-N	0	3	301.434	2.908	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)NCCCCC#N)CCN1Cc1ccccc1	ZINC000287395918	334157685	/nfs/dbraw/zinc/15/76/85/334157685.db2.gz	MHAYWXWMOZKPHG-WBVHZDCISA-N	0	3	314.433	2.642	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000290607147	334173737	/nfs/dbraw/zinc/17/37/37/334173737.db2.gz	VWSCESRVOSSESI-QGZVFWFLSA-N	0	3	319.380	2.740	20	30		DFEDHN
COc1cccc([C@@H](CNC(=O)CCCC#N)N2CCCC2)c1	ZINC000290907044	334175100	/nfs/dbraw/zinc/17/51/00/334175100.db2.gz	FWPUQEJXXRIQOU-QGZVFWFLSA-N	0	3	315.417	2.642	20	30		DFEDHN
CN1CCC(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1	ZINC000291537826	334179779	/nfs/dbraw/zinc/17/97/79/334179779.db2.gz	OKFJVNZEQLNLOE-OAHLLOKOSA-N	0	3	305.809	2.753	20	30		DFEDHN
CN1CCC(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1	ZINC000291537824	334179835	/nfs/dbraw/zinc/17/98/35/334179835.db2.gz	OKFJVNZEQLNLOE-HNNXBMFYSA-N	0	3	305.809	2.753	20	30		DFEDHN
CC(C)[C@H]1N(C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C	ZINC000292402559	334187670	/nfs/dbraw/zinc/18/76/70/334187670.db2.gz	JGAMDTLZPPKYLY-SJLPKXTDSA-N	0	3	316.445	2.859	20	30		DFEDHN
N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)C1	ZINC000292703106	334191035	/nfs/dbraw/zinc/19/10/35/334191035.db2.gz	DIGNAYOUZSRDRY-ZFWWWQNUSA-N	0	3	313.401	2.735	20	30		DFEDHN
N#CCCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000292727181	334191353	/nfs/dbraw/zinc/19/13/53/334191353.db2.gz	UIIYFWIBBIPQEQ-UHFFFAOYSA-N	0	3	311.429	2.730	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1	ZINC000292750521	334191605	/nfs/dbraw/zinc/19/16/05/334191605.db2.gz	ICXMCSNLRFTAND-CJNGLKHVSA-N	0	3	313.401	2.735	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)C1	ZINC000292787865	334192352	/nfs/dbraw/zinc/19/23/52/334192352.db2.gz	LGYKQKUCOLNVAC-WQVCFCJDSA-N	0	3	316.380	2.714	20	30		DFEDHN
COc1cccc(CN(CCOCCC#N)C[C@@H]2CCCO2)c1	ZINC000293459167	334198072	/nfs/dbraw/zinc/19/80/72/334198072.db2.gz	LBDJKWAPNPFHCP-SFHVURJKSA-N	0	3	318.417	2.606	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)C1	ZINC000293592943	334199378	/nfs/dbraw/zinc/19/93/78/334199378.db2.gz	OKFNBNJCUBVEJY-BPQIPLTHSA-N	0	3	302.393	2.745	20	30		DFEDHN
N#CCCOCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	ZINC000294106536	334205742	/nfs/dbraw/zinc/20/57/42/334205742.db2.gz	MTDFIXHGSTZKHB-HUUCEWRRSA-N	0	3	312.772	2.829	20	30		DFEDHN
N#CCCn1cc(CN2CCC[C@@H](O)CC2)c(-c2ccccc2)n1	ZINC000294194202	334206860	/nfs/dbraw/zinc/20/68/60/334206860.db2.gz	XLZWQUFOJDYXFW-GOSISDBHSA-N	0	3	324.428	2.811	20	30		DFEDHN
C[C@H](C(=O)Nc1cccc(OCC#N)c1)N1[C@H](C)CC[C@H]1C	ZINC000299660978	334257176	/nfs/dbraw/zinc/25/71/76/334257176.db2.gz	QHXAYVCIQRMINX-MGPQQGTHSA-N	0	3	301.390	2.789	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1	ZINC000042220684	334333169	/nfs/dbraw/zinc/33/31/69/334333169.db2.gz	ZFOYRZODCHLPFY-MNOVXSKESA-N	0	3	311.223	2.790	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1	ZINC000353640608	334349649	/nfs/dbraw/zinc/34/96/49/334349649.db2.gz	BALHMSBIZGRHDX-YPMHNXCESA-N	0	3	321.218	3.000	20	30		DFEDHN
C=CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1	ZINC000111835489	334358216	/nfs/dbraw/zinc/35/82/16/334358216.db2.gz	RYPSZDMUCSXDOR-SFHVURJKSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1	ZINC000111799901	334358879	/nfs/dbraw/zinc/35/88/79/334358879.db2.gz	TVGUGRVLNAARGV-GOSISDBHSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CCCCCCN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000121875013	334367585	/nfs/dbraw/zinc/36/75/85/334367585.db2.gz	UWJWXSXHUZXPJN-MRXNPFEDSA-N	0	3	304.438	2.594	20	30		DFEDHN
C=CCCCCCN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000121874848	334367598	/nfs/dbraw/zinc/36/75/98/334367598.db2.gz	UWJWXSXHUZXPJN-INIZCTEOSA-N	0	3	304.438	2.594	20	30		DFEDHN
CC#CCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000341004552	334399152	/nfs/dbraw/zinc/39/91/52/334399152.db2.gz	LKNYVUFTONNZRY-MRXNPFEDSA-N	0	3	320.383	2.626	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@]1(C)CCCc2ccccc21	ZINC000341685716	334470232	/nfs/dbraw/zinc/47/02/32/334470232.db2.gz	ACQOVHHOLUQIAH-DNVCBOLYSA-N	0	3	313.445	2.836	20	30		DFEDHN
COCC1(C#N)CCN(CCCCCn2cc(C)cn2)CC1	ZINC000341983160	334496945	/nfs/dbraw/zinc/49/69/45/334496945.db2.gz	BSEPWWCGKXCHGW-UHFFFAOYSA-N	0	3	304.438	2.614	20	30		DFEDHN
CNCc1ccccc1NC(=O)NCC1CCC(C#N)CC1	ZINC000415905240	334626699	/nfs/dbraw/zinc/62/66/99/334626699.db2.gz	UECLTQDOPUIBSE-UHFFFAOYSA-N	0	3	300.406	2.857	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)N(C)C	ZINC000416221821	334655102	/nfs/dbraw/zinc/65/51/02/334655102.db2.gz	CPBVDZUDAOBZLD-AOIWGVFYSA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CCCC12CCOCC2	ZINC000328768278	334753055	/nfs/dbraw/zinc/75/30/55/334753055.db2.gz	FYSQKOYZNIEOQF-HZPDHXFCSA-N	0	3	323.481	2.714	20	30		DFEDHN
CC(C)N1CCN(c2cccc(NC(=O)C(C)(C)C#N)c2)CC1	ZINC000162983941	334917491	/nfs/dbraw/zinc/91/74/91/334917491.db2.gz	BSXIJTSXNUVOEJ-UHFFFAOYSA-N	0	3	314.433	2.705	20	30		DFEDHN
C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)NC(=O)CO2	ZINC000343698080	335188785	/nfs/dbraw/zinc/18/87/85/335188785.db2.gz	SLDVWGSKLWRJIR-CYBMUJFWSA-N	0	3	321.380	2.934	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(CC#N)cc2)CCN1CCOC	ZINC000343706415	335189386	/nfs/dbraw/zinc/18/93/86/335189386.db2.gz	ACDFZXDPOZJXLK-IBGZPJMESA-N	0	3	315.461	2.685	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCCN1C	ZINC000343858477	335197906	/nfs/dbraw/zinc/19/79/06/335197906.db2.gz	NATBSXUKDRLXLL-HYVNUMGLSA-N	0	3	314.433	2.813	20	30		DFEDHN
O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]12	ZINC000344062189	335214313	/nfs/dbraw/zinc/21/43/13/335214313.db2.gz	MTPKHLVSYDINAL-NUEKZKHPSA-N	0	3	309.331	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc(C)nc1)C(C)C	ZINC000344086577	335216746	/nfs/dbraw/zinc/21/67/46/335216746.db2.gz	DKDQUWXGTLWPEF-MRXNPFEDSA-N	0	3	317.437	2.605	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000344236436	335230835	/nfs/dbraw/zinc/23/08/35/335230835.db2.gz	MPYRCMPBSFXNAF-HIFRSBDPSA-N	0	3	307.463	2.928	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000344242253	335231410	/nfs/dbraw/zinc/23/14/10/335231410.db2.gz	XHEHPVHPHIIHCS-UHFFFAOYSA-N	0	3	321.352	2.504	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(C(F)F)c2)CC1	ZINC000344424636	335247507	/nfs/dbraw/zinc/24/75/07/335247507.db2.gz	UYMHCHABANLIRJ-UHFFFAOYSA-N	0	3	308.372	2.933	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)OCC	ZINC000344773732	335276439	/nfs/dbraw/zinc/27/64/39/335276439.db2.gz	LNNGDPJVHJOYLY-NVXWUHKLSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1OC)C(C)C	ZINC000344781479	335276683	/nfs/dbraw/zinc/27/66/83/335276683.db2.gz	AHETVXONCRMMQA-MRXNPFEDSA-N	0	3	317.433	2.519	20	30		DFEDHN
C[C@@H](CC[S@@](C)=O)NCc1cccc(OCCCC#N)c1	ZINC000344818823	335280826	/nfs/dbraw/zinc/28/08/26/335280826.db2.gz	FBAQFYSDUMWISF-LHSJRXKWSA-N	0	3	308.447	2.616	20	30		DFEDHN
Cc1cc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c(C)s1	ZINC000345112063	335299043	/nfs/dbraw/zinc/29/90/43/335299043.db2.gz	LANXEXVJJQNRRZ-NWDGAFQWSA-N	0	3	305.447	2.967	20	30		DFEDHN
CC(C#N)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000345459901	335327052	/nfs/dbraw/zinc/32/70/52/335327052.db2.gz	JQBNDKOPKZSMFF-GFCCVEGCSA-N	0	3	300.358	2.503	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@]1(C)CCO[C@H]1C)C(C)C	ZINC000345478967	335328488	/nfs/dbraw/zinc/32/84/88/335328488.db2.gz	LCUOSIDGYIJMDU-JZXOWHBKSA-N	0	3	323.481	2.552	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000345814489	335353058	/nfs/dbraw/zinc/35/30/58/335353058.db2.gz	JNAHUBMMCPLLMV-HNNXBMFYSA-N	0	3	324.428	2.721	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@H](CC)N(CC)CC	ZINC000346093647	335374283	/nfs/dbraw/zinc/37/42/83/335374283.db2.gz	NXTGSFMWHFULFW-INIZCTEOSA-N	0	3	304.434	2.988	20	30		DFEDHN
C[C@H](CN(C)C)NC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000346128991	335378930	/nfs/dbraw/zinc/37/89/30/335378930.db2.gz	FIADQBLNIWIOGR-CQSZACIVSA-N	0	3	312.417	2.625	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@@H](O)CC2CCCC2)CC1	ZINC000367068538	335626237	/nfs/dbraw/zinc/62/62/37/335626237.db2.gz	XTNMEOKNQOHOGY-KRWDZBQOSA-N	0	3	313.445	2.880	20	30		DFEDHN
CN(C)C1(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCC1	ZINC000329237236	335954290	/nfs/dbraw/zinc/95/42/90/335954290.db2.gz	OWMWAXKKLWHLGK-TZMCWYRMSA-N	0	3	324.469	2.508	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CCN(C3CCCC3)CC2)o1	ZINC000329269817	335958046	/nfs/dbraw/zinc/95/80/46/335958046.db2.gz	HCMHXQYXYKQKNO-ZDUSSCGKSA-N	0	3	306.410	2.518	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000351115199	336015238	/nfs/dbraw/zinc/01/52/38/336015238.db2.gz	LYHUCPHZKGVIPU-KBPBESRZSA-N	0	3	315.421	2.643	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000351116206	336015380	/nfs/dbraw/zinc/01/53/80/336015380.db2.gz	NTZDFDKUOWTOMY-GJZGRUSLSA-N	0	3	305.470	2.726	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000329636552	336020985	/nfs/dbraw/zinc/02/09/85/336020985.db2.gz	YEKIQVQRWMKVII-VGVBULKLSA-N	0	3	314.433	2.692	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000329636552	336020987	/nfs/dbraw/zinc/02/09/87/336020987.db2.gz	YEKIQVQRWMKVII-VGVBULKLSA-N	0	3	314.433	2.692	20	30		DFEDHN
Cc1nnc(CNC(=O)[C@@H]2CCCN2C2CCCC2)n1C1CC1	ZINC000329699468	336053032	/nfs/dbraw/zinc/05/30/32/336053032.db2.gz	ZCRKCCHEFDQVID-HNNXBMFYSA-N	0	3	317.437	2.785	20	30		DFEDHN
CNC(=O)C1CCC(NC(=O)[C@H](C2CC2)N2CCCC2)CC1	ZINC000329768112	336079520	/nfs/dbraw/zinc/07/95/20/336079520.db2.gz	DKVDKUMOFBISST-NRXISQOPSA-N	0	3	307.438	2.962	20	30		DFEDHN
Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1	ZINC000329787226	336081502	/nfs/dbraw/zinc/08/15/02/336081502.db2.gz	YKOWNRBCFBYBLF-IUODEOHRSA-N	0	3	300.406	2.905	20	30		DFEDHN
Cc1csc([C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C2CC2)n1	ZINC000329815592	336085144	/nfs/dbraw/zinc/08/51/44/336085144.db2.gz	VIADAXYDCXQDRW-GXTWGEPZSA-N	0	3	320.462	2.643	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)C1	ZINC000329823817	336086733	/nfs/dbraw/zinc/08/67/33/336086733.db2.gz	BGMAEFKNUQYDFP-IPYPFGDCSA-N	0	3	303.406	2.691	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000329923803	336095916	/nfs/dbraw/zinc/09/59/16/336095916.db2.gz	URJWYWLYCNBBJZ-VNHYZAJKSA-N	0	3	301.365	2.603	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CO[C@H](C)C2)CC1	ZINC000329977133	336101901	/nfs/dbraw/zinc/10/19/01/336101901.db2.gz	ZHMYECLRDWLGBW-YCPHGPKFSA-N	0	3	317.433	2.989	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C12CCOCC2	ZINC000329999680	336104446	/nfs/dbraw/zinc/10/44/46/336104446.db2.gz	VDALBFFGWIMFLG-LVQVYYBASA-N	0	3	324.465	2.790	20	30		DFEDHN
O=C(NCCN1CCCCC1)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330063258	336110609	/nfs/dbraw/zinc/11/06/09/336110609.db2.gz	PXIYDSJGDBRBQY-MRXNPFEDSA-N	0	3	323.481	2.858	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Cn1cc2ccccc2n1	ZINC000330116527	336114741	/nfs/dbraw/zinc/11/47/41/336114741.db2.gz	VOZOLRYLHSHKMN-CQSZACIVSA-N	0	3	300.406	2.867	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1C	ZINC000330127288	336116221	/nfs/dbraw/zinc/11/62/21/336116221.db2.gz	MTQROQVYNJWAFU-BJJXKVORSA-N	0	3	319.453	2.734	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C	ZINC000330157543	336119082	/nfs/dbraw/zinc/11/90/82/336119082.db2.gz	PQQLAMHEXWDNIV-HUUCEWRRSA-N	0	3	322.453	2.808	20	30		DFEDHN
Cc1ccc(CNC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)cc1	ZINC000330273830	336132358	/nfs/dbraw/zinc/13/23/58/336132358.db2.gz	ZTSQXLDZTAWGRX-IAOVAPTHSA-N	0	3	302.418	2.997	20	30		DFEDHN
C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000330305409	336146266	/nfs/dbraw/zinc/14/62/66/336146266.db2.gz	QQJHJBDKGGPBEZ-LBPRGKRZSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000330305409	336146267	/nfs/dbraw/zinc/14/62/67/336146267.db2.gz	QQJHJBDKGGPBEZ-LBPRGKRZSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000330305409	336146269	/nfs/dbraw/zinc/14/62/69/336146269.db2.gz	QQJHJBDKGGPBEZ-LBPRGKRZSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000330305409	336146271	/nfs/dbraw/zinc/14/62/71/336146271.db2.gz	QQJHJBDKGGPBEZ-LBPRGKRZSA-N	0	3	314.393	2.719	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCC[C@H](C#N)C2)cn1	ZINC000331858153	336150849	/nfs/dbraw/zinc/15/08/49/336150849.db2.gz	AVZBCGCDLPBXHY-PQEBFOHHSA-N	0	3	302.422	2.795	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000332252786	336165152	/nfs/dbraw/zinc/16/51/52/336165152.db2.gz	CNOVZVJBEBUFTA-ZWKOTPCHSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#C[C@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000332318733	336168015	/nfs/dbraw/zinc/16/80/15/336168015.db2.gz	VKJLEJONOFCXLD-IAGOWNOFSA-N	0	3	318.465	2.586	20	30		DFEDHN
O=C(CN1CC[C@@H](O)C12CCCC2)NC(=O)NC1CCCCC1	ZINC000330339753	336168839	/nfs/dbraw/zinc/16/88/39/336168839.db2.gz	XBQYDPZTXBQOKN-CQSZACIVSA-N	0	3	323.437	2.569	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1	ZINC000330360224	336180880	/nfs/dbraw/zinc/18/08/80/336180880.db2.gz	WWYIBNDYFQWBNS-OIISXLGYSA-N	0	3	324.465	2.647	20	30		DFEDHN
CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O	ZINC000352222678	336203994	/nfs/dbraw/zinc/20/39/94/336203994.db2.gz	SAMRLVGBVNDHIQ-GFCCVEGCSA-N	0	3	301.308	2.639	20	30		DFEDHN
CC1(C)Oc2ccsc2[C@@H](N[C@H]2CCC[C@H](C#N)C2)[C@@H]1O	ZINC000333873159	336211521	/nfs/dbraw/zinc/21/15/21/336211521.db2.gz	PTNNYRWBRNHMRH-MEDZGJRSSA-N	0	3	306.431	2.993	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OC(F)F)c(Br)c1	ZINC000352468554	336220912	/nfs/dbraw/zinc/22/09/12/336220912.db2.gz	ZJIAXBJSBJALNW-SECBINFHSA-N	0	3	322.149	2.687	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3c2cnn3C(C)(C)C)CC1	ZINC000301880938	336335908	/nfs/dbraw/zinc/33/59/08/336335908.db2.gz	KBUZNAOALKWHCP-UHFFFAOYSA-N	0	3	314.437	2.644	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCCC#N)N(C)C	ZINC000352901894	336375393	/nfs/dbraw/zinc/37/53/93/336375393.db2.gz	MKAXOFTUPZNGCJ-NVXWUHKLSA-N	0	3	316.449	2.979	20	30		DFEDHN
C#CCOc1ccc(CNC[C@H](O)c2ccc(OC)cc2)cc1	ZINC000113318529	336400758	/nfs/dbraw/zinc/40/07/58/336400758.db2.gz	XLSZTHMBAXDATP-IBGZPJMESA-N	0	3	311.381	2.530	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000114723947	336401264	/nfs/dbraw/zinc/40/12/64/336401264.db2.gz	VIEWEQTUZHTCGC-UHFFFAOYSA-N	0	3	303.362	2.906	20	30		DFEDHN
C=CCC[C@H](NCCCN(C)S(=O)(=O)CC)c1ccco1	ZINC000353395976	336415334	/nfs/dbraw/zinc/41/53/34/336415334.db2.gz	SEYPZOGRZPQZCQ-AWEZNQCLSA-N	0	3	314.451	2.548	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)Cc1ccc(Br)c(F)c1	ZINC000353580865	336426635	/nfs/dbraw/zinc/42/66/35/336426635.db2.gz	YGCUIXYWCRONGZ-GXSJLCMTSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000354818845	336483537	/nfs/dbraw/zinc/48/35/37/336483537.db2.gz	JSQTXMKSXDLXOA-TVPLGVNVSA-N	0	3	322.493	2.673	20	30		DFEDHN
CN(C)CCNC(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000354949173	336488751	/nfs/dbraw/zinc/48/87/51/336488751.db2.gz	ADVFPKOXZCQWPP-UHFFFAOYSA-N	0	3	307.397	2.770	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1c(C)cccc1C	ZINC000355067257	336493633	/nfs/dbraw/zinc/49/36/33/336493633.db2.gz	UMWSNSWCELHZIF-CZUORRHYSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=CCN(CCOC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000357278838	336579116	/nfs/dbraw/zinc/57/91/16/336579116.db2.gz	FBHKSORLQCHNPF-NVXWUHKLSA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CCN1CCC(N[C@H](c2ccccc2)c2ccncn2)CC1	ZINC000358748817	336641698	/nfs/dbraw/zinc/64/16/98/336641698.db2.gz	FPJSNFALWAFHFM-LJQANCHMSA-N	0	3	308.429	2.806	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccncc2CC)CC1	ZINC000358788931	336643312	/nfs/dbraw/zinc/64/33/12/336643312.db2.gz	MHRWXHMPKWWRQY-AWEZNQCLSA-N	0	3	316.449	2.655	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnccc1C)C(C)C	ZINC000359302186	336666694	/nfs/dbraw/zinc/66/66/94/336666694.db2.gz	WDHMQUIDXDGXBO-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)C2CCOCC2)CC1	ZINC000359459620	336673943	/nfs/dbraw/zinc/67/39/43/336673943.db2.gz	UCIXDSBOHRVFIR-UHFFFAOYSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000359822753	336688805	/nfs/dbraw/zinc/68/88/05/336688805.db2.gz	RBMXSKVCMPRFDN-MRXNPFEDSA-N	0	3	315.392	2.846	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000360066789	336700109	/nfs/dbraw/zinc/70/01/09/336700109.db2.gz	SEWCOJGMHSZHHI-UKRRQHHQSA-N	0	3	320.462	2.514	20	30		DFEDHN
C=C[C@@H](C)N[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000360656724	336717801	/nfs/dbraw/zinc/71/78/01/336717801.db2.gz	JSEXKUPAQQRMDA-ZWNOBZJWSA-N	0	3	316.854	2.863	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1	ZINC000368705785	336851095	/nfs/dbraw/zinc/85/10/95/336851095.db2.gz	FTZYVNRJNWWQOK-QRVBRYPASA-N	0	3	315.413	2.515	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)NCC(C)(C)CCC#N	ZINC000418201515	336905948	/nfs/dbraw/zinc/90/59/48/336905948.db2.gz	HUJIDNWMNLABHI-INIZCTEOSA-N	0	3	316.449	2.878	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1	ZINC000372900625	336942463	/nfs/dbraw/zinc/94/24/63/336942463.db2.gz	OKPJAOPQIGCYMR-IAGOWNOFSA-N	0	3	317.408	2.814	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(C(=O)OC)(c2ccccc2)CC1	ZINC000305075165	337012269	/nfs/dbraw/zinc/01/22/69/337012269.db2.gz	KUFDEZSYEJZMJT-QGZVFWFLSA-N	0	3	317.429	2.520	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000305089111	337013044	/nfs/dbraw/zinc/01/30/44/337013044.db2.gz	OXOXSBLPHJNCKB-HZPDHXFCSA-N	0	3	318.465	2.511	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000375610498	337014461	/nfs/dbraw/zinc/01/44/61/337014461.db2.gz	FTFYJASHEIANAL-ZHALLVOQSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-c3cncnc3)cc2)C1=O	ZINC000375638756	337015352	/nfs/dbraw/zinc/01/53/52/337015352.db2.gz	JDKDZOFGHLKEQK-KBXCAEBGSA-N	0	3	322.412	2.581	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000376251741	337029996	/nfs/dbraw/zinc/02/99/96/337029996.db2.gz	FJPSLBSOIWWIHX-WMZOPIPTSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000377709271	337059325	/nfs/dbraw/zinc/05/93/25/337059325.db2.gz	SYXHQXHCIAOZOJ-ZWKOTPCHSA-N	0	3	313.445	2.988	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1	ZINC000377890264	337063474	/nfs/dbraw/zinc/06/34/74/337063474.db2.gz	TXBGBIYLSSNUEN-GOEBONIOSA-N	0	3	310.401	2.700	20	30		DFEDHN
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000378573819	337075944	/nfs/dbraw/zinc/07/59/44/337075944.db2.gz	ABPWPRFYABUGCN-OWCLPIDISA-N	0	3	309.454	2.653	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1	ZINC000171712919	337088709	/nfs/dbraw/zinc/08/87/09/337088709.db2.gz	GQGYEYYMIHGKHW-RDJZCZTQSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1	ZINC000171712915	337088722	/nfs/dbraw/zinc/08/87/22/337088722.db2.gz	GQGYEYYMIHGKHW-WBVHZDCISA-N	0	3	323.481	2.531	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](O)C12CCCC2	ZINC000582684078	337122865	/nfs/dbraw/zinc/12/28/65/337122865.db2.gz	DEDWUYMBNMVRPC-IRXDYDNUSA-N	0	3	312.413	2.665	20	30		DFEDHN
C#CCCOc1ccc(CNCCNC(=O)OC(C)(C)C)cc1	ZINC000177574176	337156405	/nfs/dbraw/zinc/15/64/05/337156405.db2.gz	SBXUEQAWGLOOMM-UHFFFAOYSA-N	0	3	318.417	2.703	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000180684393	337177248	/nfs/dbraw/zinc/17/72/48/337177248.db2.gz	JTGMFIQLQQCYBY-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
COc1ccc(CN2CC[C@H]([C@@H](C)O)C2)cc1OCCCC#N	ZINC000180855289	337178196	/nfs/dbraw/zinc/17/81/96/337178196.db2.gz	HKCDMBVZQHRMKA-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc(C)cc([C@@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000183488979	337191922	/nfs/dbraw/zinc/19/19/22/337191922.db2.gz	FBSFXIFREUIPKX-DLBZAZTESA-N	0	3	313.445	2.853	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2C(C)(C)O)cc1OC	ZINC000185218732	337203451	/nfs/dbraw/zinc/20/34/51/337203451.db2.gz	RVRWREIUVDVSNA-KRWDZBQOSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2c(F)cccc2OC)CC1	ZINC000186150256	337253998	/nfs/dbraw/zinc/25/39/98/337253998.db2.gz	LBROPRZBFQQZPR-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C=CCOCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459671299	337265769	/nfs/dbraw/zinc/26/57/69/337265769.db2.gz	WJLHUDOSFBFYIB-ZDUSSCGKSA-N	0	3	307.356	2.870	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCCCSC)CC1	ZINC000187836691	337268337	/nfs/dbraw/zinc/26/83/37/337268337.db2.gz	DPTCLUIAUJAXOE-UHFFFAOYSA-N	0	3	313.511	2.859	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCc1ccc2c(c1)CNC2	ZINC000188744733	337274739	/nfs/dbraw/zinc/27/47/39/337274739.db2.gz	CIBIVBAFHNLAIQ-UHFFFAOYSA-N	0	3	308.381	2.785	20	30		DFEDHN
CC1(C)[C@H](O)C[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000189329342	337278695	/nfs/dbraw/zinc/27/86/95/337278695.db2.gz	SGTUBZXNCJERBP-DLBZAZTESA-N	0	3	324.428	2.713	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CCCCC2)CC1	ZINC000189450522	337279890	/nfs/dbraw/zinc/27/98/90/337279890.db2.gz	FJPQOZHHHVXWRF-SFHVURJKSA-N	0	3	308.466	2.692	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000583245030	337286267	/nfs/dbraw/zinc/28/62/67/337286267.db2.gz	OQVFZPPAJPYSMI-MYZZLAAOSA-N	0	3	311.429	2.735	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(OCc2noc(C)n2)cc1	ZINC000191762576	337300011	/nfs/dbraw/zinc/30/00/11/337300011.db2.gz	XRIPEYVNXDKVFE-UHFFFAOYSA-N	0	3	317.389	2.591	20	30		DFEDHN
C[C@H]1Cc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000584530467	337356687	/nfs/dbraw/zinc/35/66/87/337356687.db2.gz	OLTJHXCSSFPATM-YVEFUNNKSA-N	0	3	303.369	2.624	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000418495133	337385610	/nfs/dbraw/zinc/38/56/10/337385610.db2.gz	AOPRRFXGEOAYPY-SUMWQHHRSA-N	0	3	310.401	2.641	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(C)(C#N)CC1	ZINC000418660722	337388466	/nfs/dbraw/zinc/38/84/66/337388466.db2.gz	ZBHGLKWCOWSDHA-INIZCTEOSA-N	0	3	314.433	2.584	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@@H]2CNCCC2(F)F)CCCC1(C)C	ZINC000418749945	337395354	/nfs/dbraw/zinc/39/53/54/337395354.db2.gz	CYCWNUQSNKTSIL-CHWSQXEVSA-N	0	3	315.408	2.760	20	30		DFEDHN
C=CCC1(NC(=O)N[C@H]2CNCCC2(F)F)CCCCC1	ZINC000418752829	337395522	/nfs/dbraw/zinc/39/55/22/337395522.db2.gz	ULFSYUHFCFATRR-LBPRGKRZSA-N	0	3	301.381	2.562	20	30		DFEDHN
COCC(C)(C)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000066996064	337543083	/nfs/dbraw/zinc/54/30/83/337543083.db2.gz	ZDRMZWLQJGYKHG-UHFFFAOYSA-N	0	3	306.406	2.892	20	30		DFEDHN
C=C(C)COCCNC[C@H](O)COc1cc(C)ccc1Cl	ZINC000572235624	337599689	/nfs/dbraw/zinc/59/96/89/337599689.db2.gz	CEVDOBONOWUCON-AWEZNQCLSA-N	0	3	313.825	2.570	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1	ZINC000261947241	337613004	/nfs/dbraw/zinc/61/30/04/337613004.db2.gz	FMEXNQCUADMZMW-LJQANCHMSA-N	0	3	309.413	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)c2ccccc2)CC1	ZINC000264378528	337632600	/nfs/dbraw/zinc/63/26/00/337632600.db2.gz	SZLWKUMCERPHQP-UHFFFAOYSA-N	0	3	301.434	2.871	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc(-c2cccs2)cs1	ZINC000424078647	337731287	/nfs/dbraw/zinc/73/12/87/337731287.db2.gz	QEUZKPQTJURCBA-VIFPVBQESA-N	0	3	306.416	2.831	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000424076054	337731297	/nfs/dbraw/zinc/73/12/97/337731297.db2.gz	KWSAZKQVSVEMSY-LBPRGKRZSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000424080905	337731466	/nfs/dbraw/zinc/73/14/66/337731466.db2.gz	UHFUTSQKZWNHCP-KRWDZBQOSA-N	0	3	307.397	2.913	20	30		DFEDHN
CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H](N)CCCC#N)CC1	ZINC000424120388	337744279	/nfs/dbraw/zinc/74/42/79/337744279.db2.gz	HAKWKAXIUJSTNJ-GQGLESIBSA-N	0	3	321.465	2.594	20	30		DFEDHN
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424122150	337747382	/nfs/dbraw/zinc/74/73/82/337747382.db2.gz	IOTXGWPZYUBCRK-IAGOWNOFSA-N	0	3	301.434	2.796	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H](N)CCCC#N	ZINC000424125001	337749298	/nfs/dbraw/zinc/74/92/98/337749298.db2.gz	NEZZXHFVAGXRTR-SJORKVTESA-N	0	3	301.434	2.877	20	30		DFEDHN
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424125576	337749638	/nfs/dbraw/zinc/74/96/38/337749638.db2.gz	OCNHGBIUOWZOQS-DOMZBBRYSA-N	0	3	307.825	2.751	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@H](N)CCCC#N	ZINC000424125992	337749702	/nfs/dbraw/zinc/74/97/02/337749702.db2.gz	OKASZPHUSXUOIB-LYRGGWFBSA-N	0	3	303.381	2.586	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)C[C@H]2C)CC1	ZINC000527729768	337759332	/nfs/dbraw/zinc/75/93/32/337759332.db2.gz	MDTADYWYYAPTBF-CYBMUJFWSA-N	0	3	315.408	2.856	20	30		DFEDHN
CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)s1	ZINC000424146714	337772783	/nfs/dbraw/zinc/77/27/83/337772783.db2.gz	QDISELPDLQFQNM-RYUDHWBXSA-N	0	3	308.451	2.555	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F	ZINC000424160709	337786252	/nfs/dbraw/zinc/78/62/52/337786252.db2.gz	WVBAILLFNLOTPC-NWDGAFQWSA-N	0	3	305.344	2.635	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21	ZINC000424171154	337791585	/nfs/dbraw/zinc/79/15/85/337791585.db2.gz	LKDVUHKFBKSWBV-KBPBESRZSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1	ZINC000424173241	337794185	/nfs/dbraw/zinc/79/41/85/337794185.db2.gz	OCKRDKXDFROVDN-CQSZACIVSA-N	0	3	323.799	2.648	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(OC(F)F)c1	ZINC000424174255	337794771	/nfs/dbraw/zinc/79/47/71/337794771.db2.gz	LXZRQPBFBFBBOT-SNVBAGLBSA-N	0	3	317.723	2.901	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCc2c(C)cc(C)cc2C)CC1	ZINC000057175783	337856846	/nfs/dbraw/zinc/85/68/46/337856846.db2.gz	IQVCIFAGSUWGCO-UHFFFAOYSA-N	0	3	312.457	2.616	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCOCC1	ZINC000424621710	337925523	/nfs/dbraw/zinc/92/55/23/337925523.db2.gz	WRAHHSNEAVSEJF-MRXNPFEDSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000424652169	337943348	/nfs/dbraw/zinc/94/33/48/337943348.db2.gz	ZZUKATZHLIRWTM-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
CN(CCCC(C)(C)C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000084090345	338000034	/nfs/dbraw/zinc/00/00/34/338000034.db2.gz	GEHYXSWNUBFRCB-KBPBESRZSA-N	0	3	300.468	2.604	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCC1(C#N)CC1)c1ccccc1	ZINC000516230184	338008270	/nfs/dbraw/zinc/00/82/70/338008270.db2.gz	ZNNXIUMVXWJQNH-MRXNPFEDSA-N	0	3	314.433	2.672	20	30		DFEDHN
COCCC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426178304	338022276	/nfs/dbraw/zinc/02/22/76/338022276.db2.gz	ZXAHYPZYKYAVHJ-MRXNPFEDSA-N	0	3	300.402	2.644	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC(C)(C)O1)C(C)C	ZINC000426421764	338031796	/nfs/dbraw/zinc/03/17/96/338031796.db2.gz	SRTVSYYPADFRDZ-CVEARBPZSA-N	0	3	308.466	2.759	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2CCC(OC)CC2)CC1	ZINC000428400333	338050171	/nfs/dbraw/zinc/05/01/71/338050171.db2.gz	JDYGUXMCEQZLDY-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(Cn2cncn2)CC1	ZINC000428475632	338054361	/nfs/dbraw/zinc/05/43/61/338054361.db2.gz	OUBZNEYQDHUABN-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000428541583	338055805	/nfs/dbraw/zinc/05/58/05/338055805.db2.gz	FELRSHCOWYBDBB-YOEHRIQHSA-N	0	3	302.418	2.794	20	30		DFEDHN
COC(=O)[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]1C(C)C	ZINC000429354861	338078399	/nfs/dbraw/zinc/07/83/99/338078399.db2.gz	PMYBTTPORVTEJY-IRXDYDNUSA-N	0	3	303.377	2.697	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cn2cc(Cl)ccc2n1	ZINC000429709065	338088067	/nfs/dbraw/zinc/08/80/67/338088067.db2.gz	OPGLSPMRTJVBEF-UHFFFAOYSA-N	0	3	306.841	2.927	20	30		DFEDHN
C=CCN(CCC#N)Cc1ccccc1N1CCN(CC)CC1	ZINC000430103158	338096640	/nfs/dbraw/zinc/09/66/40/338096640.db2.gz	GLOMJROONFXFAE-UHFFFAOYSA-N	0	3	312.461	2.730	20	30		DFEDHN
N#CCCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000572479940	338142074	/nfs/dbraw/zinc/14/20/74/338142074.db2.gz	SGVHJHOOEZOCKE-UHFFFAOYSA-N	0	3	303.362	2.989	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)[C@@]2(C#N)C[C@H]2C)CC1	ZINC000448725025	338168581	/nfs/dbraw/zinc/16/85/81/338168581.db2.gz	JMKANYSXCNZVRI-DNVCBOLYSA-N	0	3	311.429	2.625	20	30		DFEDHN
N#CCCC[C@@H](NCC(=O)NCC(F)(F)F)c1ccccc1	ZINC000433017003	338176404	/nfs/dbraw/zinc/17/64/04/338176404.db2.gz	WMPNHENNJZTURT-CYBMUJFWSA-N	0	3	313.323	2.690	20	30		DFEDHN
Cn1cc([C@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433341953	338193442	/nfs/dbraw/zinc/19/34/42/338193442.db2.gz	HSDUEFVXHIOCRM-SJLPKXTDSA-N	0	3	322.412	2.856	20	30		DFEDHN
Cc1noc(C)c1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000433353267	338193791	/nfs/dbraw/zinc/19/37/91/338193791.db2.gz	OSPPGCNOZDJSIF-INIZCTEOSA-N	0	3	311.385	2.723	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000433368043	338193855	/nfs/dbraw/zinc/19/38/55/338193855.db2.gz	SJNJRAVSXVXJCL-USXIJHARSA-N	0	3	300.402	2.521	20	30		DFEDHN
CCC1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000433383732	338194398	/nfs/dbraw/zinc/19/43/98/338194398.db2.gz	ISDPWVSALHYLCD-QGZVFWFLSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C(C)C)C(C)C	ZINC000433797744	338202280	/nfs/dbraw/zinc/20/22/80/338202280.db2.gz	BLSISBWIBAQCNG-KURKYZTESA-N	0	3	322.493	2.862	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC(F)(c2ccccc2)CC1	ZINC000434492366	338218296	/nfs/dbraw/zinc/21/82/96/338218296.db2.gz	HDWSKIHILUSTCY-UHFFFAOYSA-N	0	3	317.408	2.709	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnc([C@H](C)CC)nc2)CC1	ZINC000434524872	338219402	/nfs/dbraw/zinc/21/94/02/338219402.db2.gz	CIJUVBDVVRGTKH-CYBMUJFWSA-N	0	3	317.437	2.762	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(Br)cn1	ZINC000435728403	338246352	/nfs/dbraw/zinc/24/63/52/338246352.db2.gz	LJLPYPOLPUKNML-FZMZJTMJSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(Br)s1	ZINC000435733335	338246825	/nfs/dbraw/zinc/24/68/25/338246825.db2.gz	SPJLOVWMKNFYBH-SKDRFNHKSA-N	0	3	317.252	2.976	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCCC2	ZINC000439670857	338375718	/nfs/dbraw/zinc/37/57/18/338375718.db2.gz	IOUPENXMCPCHSK-GVDBMIGSSA-N	0	3	320.477	2.903	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC1CCC(C#N)CC1	ZINC000441042105	338401318	/nfs/dbraw/zinc/40/13/18/338401318.db2.gz	UCUUZTUWPHNRGW-JUVOFCAFSA-N	0	3	320.481	2.878	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000446591203	338531132	/nfs/dbraw/zinc/53/11/32/338531132.db2.gz	RHGAREOQEJTHHB-GDBMZVCRSA-N	0	3	300.406	2.604	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCC2(F)F)CC1	ZINC000448920260	338579905	/nfs/dbraw/zinc/57/99/05/338579905.db2.gz	GISRJVHKLWJNJW-AWEZNQCLSA-N	0	3	300.393	2.969	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C)nc2C(C)C)CC1	ZINC000448924030	338579927	/nfs/dbraw/zinc/57/99/27/338579927.db2.gz	XAXZVAIVNBVIQA-UHFFFAOYSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000449175526	338599440	/nfs/dbraw/zinc/59/94/40/338599440.db2.gz	OKNXTDMOMIXPBP-LSDHHAIUSA-N	0	3	304.438	2.640	20	30		DFEDHN
C=C(CC)CNC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1	ZINC000449732649	338648377	/nfs/dbraw/zinc/64/83/77/338648377.db2.gz	CHNWPFHQGYCIAT-UHFFFAOYSA-N	0	3	311.422	2.594	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C#N)C[C@H]2C)CC1	ZINC000449876762	338656779	/nfs/dbraw/zinc/65/67/79/338656779.db2.gz	MHYUGCUVAIKQTL-SPYBWZPUSA-N	0	3	311.429	2.878	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1	ZINC000450348420	338679224	/nfs/dbraw/zinc/67/92/24/338679224.db2.gz	KVXSKANOJUREDA-UHFFFAOYSA-N	0	3	303.406	2.705	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)cc1Cl	ZINC000451609235	338740339	/nfs/dbraw/zinc/74/03/39/338740339.db2.gz	UYAGOWJSASPFFH-DFBGVHRSSA-N	0	3	308.809	2.909	20	30		DFEDHN
C=C(C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000452721168	338776653	/nfs/dbraw/zinc/77/66/53/338776653.db2.gz	GKFAWQUASTWXFO-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCO[C@H]1CC)C(C)C	ZINC000457736114	338976817	/nfs/dbraw/zinc/97/68/17/338976817.db2.gz	CTGYVEZNLZYKRT-IKGGRYGDSA-N	0	3	323.481	2.552	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000458781794	339005220	/nfs/dbraw/zinc/00/52/20/339005220.db2.gz	TYYCCEBPICYLFZ-RDJZCZTQSA-N	0	3	301.434	2.651	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000458806188	339005933	/nfs/dbraw/zinc/00/59/33/339005933.db2.gz	VTFWLFAJISJLCO-IAGOWNOFSA-N	0	3	314.433	2.767	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000458968222	339009807	/nfs/dbraw/zinc/00/98/07/339009807.db2.gz	AXRKYPXOSRRUCH-HOTGVXAUSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCCC1	ZINC000459044458	339011980	/nfs/dbraw/zinc/01/19/80/339011980.db2.gz	CWHMAPNUJDHFSB-HOTGVXAUSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000466034881	339191350	/nfs/dbraw/zinc/19/13/50/339191350.db2.gz	FREOXINIJMNJPK-WMZOPIPTSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C	ZINC000471854731	339356056	/nfs/dbraw/zinc/35/60/56/339356056.db2.gz	BGEJTPXSKZMYPL-USXIJHARSA-N	0	3	316.445	2.651	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1CCCCCC[C@H]1C(=O)OC	ZINC000481440480	339604459	/nfs/dbraw/zinc/60/44/59/339604459.db2.gz	UVLWMQSRZXOWEX-HZPDHXFCSA-N	0	3	324.465	2.513	20	30		DFEDHN
C=CCCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1	ZINC000489119748	339802134	/nfs/dbraw/zinc/80/21/34/339802134.db2.gz	RNYMZVXJRPLAHE-OAGGEKHMSA-N	0	3	314.495	2.620	20	30		DFEDHN
C=CCCCS(=O)(=O)NC1CCN(CC2CCCC2)CC1	ZINC000489291883	339805160	/nfs/dbraw/zinc/80/51/60/339805160.db2.gz	IQZAERLLWSYLCM-UHFFFAOYSA-N	0	3	314.495	2.527	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC[C@H]2CCc3ccccc32)CC1	ZINC000491647007	339870926	/nfs/dbraw/zinc/87/09/26/339870926.db2.gz	VUKGXFUTIOUBLY-QGZVFWFLSA-N	0	3	310.441	2.568	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(F)cc1	ZINC000491694405	339874356	/nfs/dbraw/zinc/87/43/56/339874356.db2.gz	MFITXHBXKJYMJZ-MRXNPFEDSA-N	0	3	317.408	2.626	20	30		DFEDHN
C#CCNC(=O)C1CCN(C/C=C/c2ccc(Cl)cc2)CC1	ZINC000491710904	339875557	/nfs/dbraw/zinc/87/55/57/339875557.db2.gz	VKRORLJZKKRINW-ONEGZZNKSA-N	0	3	316.832	2.815	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CC(F)F)c2ccccc2)CC1	ZINC000491739952	339877550	/nfs/dbraw/zinc/87/75/50/339877550.db2.gz	XVVGBGRSFLLPMV-INIZCTEOSA-N	0	3	320.383	2.844	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@]1(C)CCO[C@H]1C	ZINC000494258010	339944941	/nfs/dbraw/zinc/94/49/41/339944941.db2.gz	WNEJGLZKQBADNG-GRDNDAEWSA-N	0	3	322.474	2.808	20	30		DFEDHN
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CC1	ZINC000495978960	339995992	/nfs/dbraw/zinc/99/59/92/339995992.db2.gz	DXYBWACEJKCFKU-ZIAGYGMSSA-N	0	3	307.438	2.915	20	30		DFEDHN
CC(C)(CC#N)CN[C@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000496281641	340002125	/nfs/dbraw/zinc/00/21/25/340002125.db2.gz	HBKUZOFPQSYVFT-INIZCTEOSA-N	0	3	315.417	2.927	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1	ZINC000496416800	340004997	/nfs/dbraw/zinc/00/49/97/340004997.db2.gz	JVGKYGVRMUTDLG-DZGCQCFKSA-N	0	3	321.421	2.586	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(C#N)CC2)C1	ZINC000496485834	340006505	/nfs/dbraw/zinc/00/65/05/340006505.db2.gz	JNCNQRQZABNADJ-OAHLLOKOSA-N	0	3	307.438	2.869	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](CN3CCOC3=O)C2)c1	ZINC000496973636	340017293	/nfs/dbraw/zinc/01/72/93/340017293.db2.gz	KJZACXPNZWSNJJ-MRXNPFEDSA-N	0	3	316.401	2.526	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC=C(CN[C@H]2CC[C@H](C#N)C2)CC1	ZINC000497039125	340018843	/nfs/dbraw/zinc/01/88/43/340018843.db2.gz	SVSCLIPFFSHNQM-GJZGRUSLSA-N	0	3	305.422	2.835	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NCCN2CCCCC2)cc1	ZINC000505746001	340176500	/nfs/dbraw/zinc/17/65/00/340176500.db2.gz	QTWPZHDSBCITRW-UHFFFAOYSA-N	0	3	317.433	2.537	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC#N)C1	ZINC000507332381	340217480	/nfs/dbraw/zinc/21/74/80/340217480.db2.gz	ILXQVLIXONGVCE-NVXWUHKLSA-N	0	3	314.433	2.815	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](SCC)C2)CC1	ZINC000176755030	340431007	/nfs/dbraw/zinc/43/10/07/340431007.db2.gz	YBZWUIUXROUCNS-CVEARBPZSA-N	0	3	308.491	2.512	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@H](CC)C1)C(C)C	ZINC000193859935	340584783	/nfs/dbraw/zinc/58/47/83/340584783.db2.gz	PMJOXKRRWGFMIX-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H](CN2CCC(C#N)CC2)C1	ZINC000067378684	340857216	/nfs/dbraw/zinc/85/72/16/340857216.db2.gz	BIXDMBYGTRDMJD-OAHLLOKOSA-N	0	3	307.438	2.869	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NCc1ccccc1CN1CCCCC1	ZINC000541020379	340956304	/nfs/dbraw/zinc/95/63/04/340956304.db2.gz	MBQINMAWLCXBPC-HNNXBMFYSA-N	0	3	314.433	2.631	20	30		DFEDHN
C=CCC1(c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CCC1	ZINC000564269442	341049376	/nfs/dbraw/zinc/04/93/76/341049376.db2.gz	XQUPARHZLZOMDO-STQMWFEESA-N	0	3	300.406	2.923	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccncn1	ZINC000546859573	341183890	/nfs/dbraw/zinc/18/38/90/341183890.db2.gz	LTQAOQBFQUEEEP-JKSUJKDBSA-N	0	3	323.352	2.524	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000133889431	341197771	/nfs/dbraw/zinc/19/77/71/341197771.db2.gz	OZBQOQSVMDVQAX-WBVHZDCISA-N	0	3	314.433	2.672	20	30		DFEDHN
C=C(C)COCCNCc1c[nH]nc1-c1ccc(OC)cc1	ZINC000134501179	341216503	/nfs/dbraw/zinc/21/65/03/341216503.db2.gz	HLOLYESUELWIQM-UHFFFAOYSA-N	0	3	301.390	2.768	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)noc1C)C(C)C	ZINC000078397440	341241489	/nfs/dbraw/zinc/24/14/89/341241489.db2.gz	ILTYONMDSAZHHU-HNNXBMFYSA-N	0	3	305.422	2.720	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(SCC#N)c1	ZINC000079528578	341260714	/nfs/dbraw/zinc/26/07/14/341260714.db2.gz	XFACQXJVRKMGTL-BBRMVZONSA-N	0	3	317.458	2.714	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	ZINC000549807371	341303610	/nfs/dbraw/zinc/30/36/10/341303610.db2.gz	BIRVWLWUXDDXDO-OKZBNKHCSA-N	0	3	312.413	2.833	20	30		DFEDHN
CN(CCCC(C)(C)C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000246085668	341324385	/nfs/dbraw/zinc/32/43/85/341324385.db2.gz	GEHYXSWNUBFRCB-UONOGXRCSA-N	0	3	300.468	2.604	20	30		DFEDHN
C=C(C)[C@H](NCCN1CCOC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000249359883	341396632	/nfs/dbraw/zinc/39/66/32/341396632.db2.gz	AEWCVAFVNANGML-GUYCJALGSA-N	0	3	310.388	2.892	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000332627553	533729527	/nfs/dbraw/zinc/72/95/27/533729527.db2.gz	DUGLQORCWMBFID-MRXNPFEDSA-N	0	3	312.417	2.959	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000294785870	533865739	/nfs/dbraw/zinc/86/57/39/533865739.db2.gz	AWARIBNWBKQMEA-UPJWGTAASA-N	0	3	317.393	2.640	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000363825567	523479103	/nfs/dbraw/zinc/47/91/03/523479103.db2.gz	VIBAHCJYOBEKOW-CEXWTWQISA-N	0	3	313.445	2.540	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)c1	ZINC000331704227	534806081	/nfs/dbraw/zinc/80/60/81/534806081.db2.gz	ZNCJFYAVNGGMGW-ROUUACIJSA-N	0	3	311.429	2.829	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nccnc1C#N	ZINC000302224498	528439700	/nfs/dbraw/zinc/43/97/00/528439700.db2.gz	QIZUCXQRTSZDOI-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3ccc(C#N)nn3)c2)CC1	ZINC000301976401	529045649	/nfs/dbraw/zinc/04/56/49/529045649.db2.gz	WELGUNXZUKKTMQ-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
CCN1CCC[C@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)C1	ZINC000359480669	535569120	/nfs/dbraw/zinc/56/91/20/535569120.db2.gz	LPDKWGHLIMUMDJ-HNNXBMFYSA-N	0	3	312.392	2.872	20	30		DFEDHN
CN(Cc1ccccc1)C1CN(c2ccc(C#N)c([N+](=O)[O-])c2)C1	ZINC000357525865	536480204	/nfs/dbraw/zinc/48/02/04/536480204.db2.gz	FILKAKQSTDTPED-UHFFFAOYSA-N	0	3	322.368	2.787	20	30		DFEDHN
COC1(CNCc2cnc3ccc(C#N)cn23)CCC(C)CC1	ZINC000355411739	536683191	/nfs/dbraw/zinc/68/31/91/536683191.db2.gz	KANKDKONYYCVBP-UHFFFAOYSA-N	0	3	312.417	2.891	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1ccccc1Cl	ZINC000681457827	545642802	/nfs/dbraw/zinc/64/28/02/545642802.db2.gz	KAIRADPAOBDLAF-YJBOKZPZSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)CCOc1ccc(C(F)(F)F)cc1	ZINC000682540357	545870902	/nfs/dbraw/zinc/87/09/02/545870902.db2.gz	PBUZGVLFUZNXNC-AWEZNQCLSA-N	0	3	303.324	2.953	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCN(c2cccc3cnccc32)C[C@H]1C	ZINC000683679936	546076464	/nfs/dbraw/zinc/07/64/64/546076464.db2.gz	WARSLRANOQEBIJ-DNVCBOLYSA-N	0	3	311.429	2.682	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C(C)C)nn(C)c1N(C)C	ZINC000684767816	546276710	/nfs/dbraw/zinc/27/67/10/546276710.db2.gz	TYBSWNRGWNNMKQ-PBHICJAKSA-N	0	3	320.481	2.680	20	30		DFEDHN
C=CCN(CCC(C)(C)C#N)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823903926	608088195	/nfs/dbraw/zinc/08/81/95/608088195.db2.gz	NGTOVQFKJCUSJQ-UHFFFAOYSA-N	0	3	310.405	2.795	20	30		DFEDHN
Cc1c(Cl)cnc(NCCCN2CCCO[C@@H](C)C2)c1C#N	ZINC000278294306	214072417	/nfs/dbraw/zinc/07/24/17/214072417.db2.gz	XKVDHSATNWDUMM-LBPRGKRZSA-N	0	3	322.840	2.828	20	30		DFEDHN
N#Cc1c(F)cccc1N1CCN(C[C@H]2CCSC2)CC1	ZINC000278523487	214211803	/nfs/dbraw/zinc/21/18/03/214211803.db2.gz	YLURHEBVBLGALR-CYBMUJFWSA-N	0	3	305.422	2.572	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1	ZINC000181280235	199274778	/nfs/dbraw/zinc/27/47/78/199274778.db2.gz	MGJRCECCVPPWAP-CYBMUJFWSA-N	0	3	310.401	2.746	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000488802393	398349240	/nfs/dbraw/zinc/34/92/40/398349240.db2.gz	QVUMNRYLBVETJU-SJORKVTESA-N	0	3	309.413	2.502	20	30		DFEDHN
Cc1occc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000065931068	398351225	/nfs/dbraw/zinc/35/12/25/398351225.db2.gz	WKGYQFVAJOQUQN-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000065939382	398352034	/nfs/dbraw/zinc/35/20/34/398352034.db2.gz	LMFNDSXXRMMION-HNNXBMFYSA-N	0	3	322.424	2.697	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CC[C@H](N4CC=CC4)C3)c2c1	ZINC000591915451	398353470	/nfs/dbraw/zinc/35/34/70/398353470.db2.gz	RHWWUIJOMIFXQK-HNNXBMFYSA-N	0	3	320.396	2.566	20	30		DFEDHN
CCCN(CCN1CCCCC1)c1cc(C#N)nc(CC)n1	ZINC000596231128	398363350	/nfs/dbraw/zinc/36/33/50/398363350.db2.gz	FKDQBAYAOKPCTC-UHFFFAOYSA-N	0	3	301.438	2.613	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@@H](C)c3cccc(C#N)c3)cc12	ZINC000237619611	398372664	/nfs/dbraw/zinc/37/26/64/398372664.db2.gz	ZOLUNGCYTWEOSJ-LBPRGKRZSA-N	0	3	305.385	2.999	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000578595188	398374396	/nfs/dbraw/zinc/37/43/96/398374396.db2.gz	LAGGGPIFKXJBTR-WQVCFCJDSA-N	0	3	322.836	2.840	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@H](O)CN2CCCCC2)n1	ZINC000596280242	398375682	/nfs/dbraw/zinc/37/56/82/398375682.db2.gz	VSZSWRMCUDKPGU-HNNXBMFYSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000578809856	398375739	/nfs/dbraw/zinc/37/57/39/398375739.db2.gz	JYZCKKXIOPRIFL-KGLIPLIRSA-N	0	3	303.324	2.656	20	30		DFEDHN
Cc1c2nc(NC(=O)[C@H](N)CCCC#N)sc2ccc1F	ZINC000578879500	398376372	/nfs/dbraw/zinc/37/63/72/398376372.db2.gz	VIJSHNWUCGDSFI-SNVBAGLBSA-N	0	3	306.366	2.704	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c(C#N)c1	ZINC000181309400	199280064	/nfs/dbraw/zinc/28/00/64/199280064.db2.gz	ZUMNTSXPTRTYEX-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
CN(Cc1ccncc1C#N)[C@H]1CCN(Cc2ccccc2)C1	ZINC000592084184	398381047	/nfs/dbraw/zinc/38/10/47/398381047.db2.gz	YUMCSYREENNGNZ-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
C[C@@H]1CCn2ncc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2C1	ZINC000581011487	398386981	/nfs/dbraw/zinc/38/69/81/398386981.db2.gz	UJMIVVPVIZVXAM-VXGBXAGGSA-N	0	3	319.368	2.832	20	30		DFEDHN
CCc1nnc(N[C@H]2CCN(C(C)(C)C)C2)c(C#N)c1CC	ZINC000596334514	398388330	/nfs/dbraw/zinc/38/83/30/398388330.db2.gz	ATXJGANURPXNLW-LBPRGKRZSA-N	0	3	301.438	2.758	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)ccn1	ZINC000592165775	398395661	/nfs/dbraw/zinc/39/56/61/398395661.db2.gz	FOZNNJIQYVVHNA-WOJBJXKFSA-N	0	3	321.424	2.911	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC2(C[C@@H]1C)CCOCC2	ZINC000592185342	398399031	/nfs/dbraw/zinc/39/90/31/398399031.db2.gz	XUVCNEBUNXVUFN-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1	ZINC000066942169	398408212	/nfs/dbraw/zinc/40/82/12/398408212.db2.gz	WDYUBLHWAWSIPB-INIZCTEOSA-N	0	3	304.434	2.558	20	30		DFEDHN
CC1CC(C#N)(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1	ZINC000584824481	398416784	/nfs/dbraw/zinc/41/67/84/398416784.db2.gz	TZKKSLITLUSVFJ-UHFFFAOYSA-N	0	3	319.380	2.644	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)[C@H](CO)c1ccccc1	ZINC000298180212	529871993	/nfs/dbraw/zinc/87/19/93/529871993.db2.gz	RNHIMHAJTUEPAQ-GOSISDBHSA-N	0	3	323.396	2.552	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)C1	ZINC000592524576	398442013	/nfs/dbraw/zinc/44/20/13/398442013.db2.gz	YOHSHTSNWLOYOB-LORHWOILSA-N	0	3	322.412	2.984	20	30		DFEDHN
CC(C)[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CC=CC2	ZINC000592527725	398442560	/nfs/dbraw/zinc/44/25/60/398442560.db2.gz	OCABRWWHXFAAAJ-MRXNPFEDSA-N	0	3	307.401	2.778	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)CCC(F)(F)F)CC1	ZINC000592526849	398442956	/nfs/dbraw/zinc/44/29/56/398442956.db2.gz	POVCGUKRTJHRAK-UHFFFAOYSA-N	0	3	307.360	2.621	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000585765543	398446175	/nfs/dbraw/zinc/44/61/75/398446175.db2.gz	PAZOMFPQXQYACU-BPQIPLTHSA-N	0	3	316.445	2.683	20	30		DFEDHN
CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1	ZINC000302475194	529973720	/nfs/dbraw/zinc/97/37/20/529973720.db2.gz	VEGQETQQZGGXTE-HXUWFJFHSA-N	0	3	321.424	2.631	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)c1ccco1	ZINC000596597521	398457656	/nfs/dbraw/zinc/45/76/56/398457656.db2.gz	AUTDAQPJIZQCEQ-JJRVBVJISA-N	0	3	318.421	2.654	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN(C)Cc2cccc(C#N)c2)c1	ZINC000027208082	398460710	/nfs/dbraw/zinc/46/07/10/398460710.db2.gz	XPYLCGJVVVPOMK-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C#N)c1	ZINC000181729241	199344947	/nfs/dbraw/zinc/34/49/47/199344947.db2.gz	NVIRFZKNKQIVLM-KXBFYZLASA-N	0	3	321.424	2.908	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000596706948	398482275	/nfs/dbraw/zinc/48/22/75/398482275.db2.gz	DANRMYXNMUYTLJ-CYBMUJFWSA-N	0	3	316.405	2.561	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@@H](C)CC#N)c1cccc(OC)c1	ZINC000596711261	398483176	/nfs/dbraw/zinc/48/31/76/398483176.db2.gz	RDYQOMNJIUAHRL-WMLDXEAASA-N	0	3	317.433	2.744	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000596801692	398504247	/nfs/dbraw/zinc/50/42/47/398504247.db2.gz	LKDGUPWOHYLDJK-GFCCVEGCSA-N	0	3	306.797	2.817	20	30		DFEDHN
COc1ccc(CN(CCO)CCc2ccccc2)cc1C#N	ZINC000305245453	398505950	/nfs/dbraw/zinc/50/59/50/398505950.db2.gz	SRJXOYSJUQUMQL-UHFFFAOYSA-N	0	3	310.397	2.604	20	30		DFEDHN
CCN1CCCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1	ZINC000091068346	398507406	/nfs/dbraw/zinc/50/74/06/398507406.db2.gz	QBBZQFSDQSGPOE-UHFFFAOYSA-N	0	3	323.444	2.580	20	30		DFEDHN
Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1	ZINC000091080430	398509114	/nfs/dbraw/zinc/50/91/14/398509114.db2.gz	ZXKYZBSVFSSYDL-SJORKVTESA-N	0	3	310.401	2.769	20	30		DFEDHN
CC(C)Cn1ccc2cc(NC(=O)[C@]3(C#N)CCNC3)ccc21	ZINC000592958022	398511581	/nfs/dbraw/zinc/51/15/81/398511581.db2.gz	TVZLJJFXYDWNFL-SFHVURJKSA-N	0	3	310.401	2.739	20	30		DFEDHN
N#Cc1cc(F)c(N2CCN3CCC[C@@H]3C2)cc1Br	ZINC000311542850	398515135	/nfs/dbraw/zinc/51/51/35/398515135.db2.gz	YROQRZQVQZPPSV-LLVKDONJSA-N	0	3	324.197	2.744	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596853339	398514171	/nfs/dbraw/zinc/51/41/71/398514171.db2.gz	JXDMXOJFHJVIML-DOTOQJQBSA-N	0	3	314.433	2.995	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC[C@H](CC#N)C1	ZINC000596853791	398514199	/nfs/dbraw/zinc/51/41/99/398514199.db2.gz	LBCHCXORNPAQAV-OAHLLOKOSA-N	0	3	314.433	2.948	20	30		DFEDHN
CCCN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CCN(C)C1	ZINC000596859359	398515629	/nfs/dbraw/zinc/51/56/29/398515629.db2.gz	LBCVAUQIBFEJNR-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cccc(CC#N)c1	ZINC000596929383	398531183	/nfs/dbraw/zinc/53/11/83/398531183.db2.gz	OFJIWNHEGKQZCY-HNNXBMFYSA-N	0	3	300.406	2.747	20	30		DFEDHN
CC(C)O[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000593054915	398532855	/nfs/dbraw/zinc/53/28/55/398532855.db2.gz	HRCRBSBCWLZDEK-AWEZNQCLSA-N	0	3	321.446	2.838	20	30		DFEDHN
COc1ccc(CN(C)C[C@H](O)C2CC2)cc1OCCCC#N	ZINC000589196922	398535752	/nfs/dbraw/zinc/53/57/52/398535752.db2.gz	ODFRFWPQEPCZNL-INIZCTEOSA-N	0	3	318.417	2.580	20	30		DFEDHN
N#CC1(CCN2CCC(Cn3cnnc3)CC2)CCCCC1	ZINC000593076674	398538951	/nfs/dbraw/zinc/53/89/51/398538951.db2.gz	DKIAGJSAZOYXBO-UHFFFAOYSA-N	0	3	301.438	2.854	20	30		DFEDHN
CCC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000318388477	398538513	/nfs/dbraw/zinc/53/85/13/398538513.db2.gz	HGCWPIBAUYQODF-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
C[C@H](CC#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000596996624	398543139	/nfs/dbraw/zinc/54/31/39/398543139.db2.gz	VXGQAFPESVGJGA-CYBMUJFWSA-N	0	3	305.447	2.626	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](CCC(N)=O)C3)cc2)CC1	ZINC000596996193	398543342	/nfs/dbraw/zinc/54/33/42/398543342.db2.gz	SALNDHWJTQLKMN-OAHLLOKOSA-N	0	3	311.429	2.719	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(N4CCCC4=O)CC3)cc2)CC1	ZINC000596997082	398543365	/nfs/dbraw/zinc/54/33/65/398543365.db2.gz	XTVVRSPEUAUQQM-UHFFFAOYSA-N	0	3	323.440	2.829	20	30		DFEDHN
CC(C)(C)N1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000069064240	398545958	/nfs/dbraw/zinc/54/59/58/398545958.db2.gz	PISIFOGMGOKYEI-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc(-c3cccc(C#N)n3)n2)cc1	ZINC000589360165	398548053	/nfs/dbraw/zinc/54/80/53/398548053.db2.gz	LIRLPDVMXJPMMW-UHFFFAOYSA-N	0	3	305.341	2.732	20	30		DFEDHN
CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCC[C@@H]1O	ZINC000091899154	398548308	/nfs/dbraw/zinc/54/83/08/398548308.db2.gz	DITXTYFTQARVSM-WMZOPIPTSA-N	0	3	302.418	2.962	20	30		DFEDHN
C[C@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1	ZINC000593184102	398566580	/nfs/dbraw/zinc/56/65/80/398566580.db2.gz	VKKKBSLZXQLGFE-GUYCJALGSA-N	0	3	307.397	2.985	20	30		DFEDHN
CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1	ZINC000597082475	398563098	/nfs/dbraw/zinc/56/30/98/398563098.db2.gz	KTUADORRMVDTPL-KGLIPLIRSA-N	0	3	300.402	2.919	20	30		DFEDHN
Cn1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000597081428	398563172	/nfs/dbraw/zinc/56/31/72/398563172.db2.gz	HFZUCTMHMLYOLE-ZWKOTPCHSA-N	0	3	322.412	2.616	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](n4ccnn4)C3)cc2)CC1	ZINC000597159771	398579482	/nfs/dbraw/zinc/57/94/82/398579482.db2.gz	ZIQVOPKCRUURNQ-QGZVFWFLSA-N	0	3	307.401	2.670	20	30		DFEDHN
COCCOCc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000597175619	398582313	/nfs/dbraw/zinc/58/23/13/398582313.db2.gz	BUKNGJONQGZVEP-MRXNPFEDSA-N	0	3	302.418	2.975	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597178652	398583018	/nfs/dbraw/zinc/58/30/18/398583018.db2.gz	MTOLNBCACOMIOQ-CVEARBPZSA-N	0	3	319.355	2.535	20	30		DFEDHN
COc1ccc(CN2CCC3(COC3)C2)cc1OCCCC#N	ZINC000597228921	398597855	/nfs/dbraw/zinc/59/78/55/398597855.db2.gz	IPXSMJJBALABFY-UHFFFAOYSA-N	0	3	316.401	2.600	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1	ZINC000070790016	398599364	/nfs/dbraw/zinc/59/93/64/398599364.db2.gz	ATZGLRNWTQCJJT-HNNXBMFYSA-N	0	3	311.345	2.576	20	30		DFEDHN
CC[C@H](CNC(=O)CC1(C#N)CC1)N1CCc2ccccc2C1	ZINC000590152479	398601157	/nfs/dbraw/zinc/60/11/57/398601157.db2.gz	HJNAVPZEJJLOAV-QGZVFWFLSA-N	0	3	311.429	2.633	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(CC(=O)NC3CCCC3)CC2)C1	ZINC000590155930	398601335	/nfs/dbraw/zinc/60/13/35/398601335.db2.gz	YXPLJDQJAHHWNG-RDJZCZTQSA-N	0	3	303.450	2.840	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccc(F)cc1	ZINC000092792890	398601351	/nfs/dbraw/zinc/60/13/51/398601351.db2.gz	WUUWIUNABYANQT-MRXNPFEDSA-N	0	3	303.381	2.725	20	30		DFEDHN
N#CC1(CC(=O)NCC2(N3CCSCC3)CCCCC2)CC1	ZINC000590243717	398606975	/nfs/dbraw/zinc/60/69/75/398606975.db2.gz	QJCGNAAWFBKMNK-UHFFFAOYSA-N	0	3	321.490	2.548	20	30		DFEDHN
COCCN1[C@@H](C)CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C	ZINC000092924478	398607886	/nfs/dbraw/zinc/60/78/86/398607886.db2.gz	VNXNJKIUNVOFSA-GJZGRUSLSA-N	0	3	324.428	2.652	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1(C#N)CC1	ZINC000590188367	398604440	/nfs/dbraw/zinc/60/44/40/398604440.db2.gz	XIQMXBXQPBMPJL-UHFFFAOYSA-N	0	3	321.371	2.549	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCCCN1C1CC1)C2	ZINC000593396411	398617870	/nfs/dbraw/zinc/61/78/70/398617870.db2.gz	QPXKKNROOICEKZ-KRWDZBQOSA-N	0	3	324.428	2.600	20	30		DFEDHN
C#CCCCCNCc1c(C)nn(C)c1OCC(F)(F)F	ZINC000150731107	186061083	/nfs/dbraw/zinc/06/10/83/186061083.db2.gz	RBCDXTPPKVUIIT-UHFFFAOYSA-N	0	3	303.328	2.563	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(C3CC3)CC2)cc1	ZINC000590426741	398621992	/nfs/dbraw/zinc/62/19/92/398621992.db2.gz	URBQQZMSHGTAOO-GOSISDBHSA-N	0	3	307.397	2.889	20	30		DFEDHN
CC(C)OCCCN1CCCN(c2ccccc2C#N)CC1	ZINC000171498966	186169572	/nfs/dbraw/zinc/16/95/72/186169572.db2.gz	YIHQNSPVSUIPFQ-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
CN1CCN(Cc2cccc(OCCCC#N)c2)C(C)(C)C1	ZINC000093457280	398638493	/nfs/dbraw/zinc/63/84/93/398638493.db2.gz	ICHPMGXEQJOAQZ-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]2C[C@@H](C)O)cc(OC)c1O	ZINC000093482496	398639893	/nfs/dbraw/zinc/63/98/93/398639893.db2.gz	GVGXIMOZTYCVJZ-CZUORRHYSA-N	0	3	305.418	2.865	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000593475200	398640408	/nfs/dbraw/zinc/64/04/08/398640408.db2.gz	IQUDYKXEXLNZEQ-LLVKDONJSA-N	0	3	309.797	2.769	20	30		DFEDHN
N#Cc1cc(Br)cnc1N[C@H]1CCN(CC2CC2)C1	ZINC000590689600	398651963	/nfs/dbraw/zinc/65/19/63/398651963.db2.gz	CNTHZNGTUDOIMH-ZDUSSCGKSA-N	0	3	321.222	2.612	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc2ccccc2c1	ZINC000593594976	398659176	/nfs/dbraw/zinc/65/91/76/398659176.db2.gz	JGWCBANKIHWMDO-MLGOLLRUSA-N	0	3	310.353	2.720	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc2ccccc2c1	ZINC000593594975	398659535	/nfs/dbraw/zinc/65/95/35/398659535.db2.gz	JGWCBANKIHWMDO-LRDDRELGSA-N	0	3	310.353	2.720	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000045027203	398659768	/nfs/dbraw/zinc/65/97/68/398659768.db2.gz	JYLJJLXZQBGNAZ-SFHVURJKSA-N	0	3	322.412	2.853	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(C)nc2C(C)C)CC1	ZINC000172139922	198045984	/nfs/dbraw/zinc/04/59/84/198045984.db2.gz	VHVLCQHAWJAFNW-UHFFFAOYSA-N	0	3	316.449	2.679	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCc2cccnc2)CC1	ZINC000172155440	198048504	/nfs/dbraw/zinc/04/85/04/198048504.db2.gz	HTYXQQMLDUYLDZ-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)c2nc(C)cs2)CC1	ZINC000172185659	198054299	/nfs/dbraw/zinc/05/42/99/198054299.db2.gz	UPJLSMXRWOQNIW-UHFFFAOYSA-N	0	3	322.478	2.636	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1	ZINC000172290207	198071678	/nfs/dbraw/zinc/07/16/78/198071678.db2.gz	IGPDEEZBAUCIPI-KGLIPLIRSA-N	0	3	320.383	2.835	20	30		DFEDHN
CN(C)CCOc1ccc(CNCC2(C#N)CCCC2)cc1	ZINC000593649448	398665595	/nfs/dbraw/zinc/66/55/95/398665595.db2.gz	FQBQFFLLCVIMGK-UHFFFAOYSA-N	0	3	301.434	2.801	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000597606317	398668667	/nfs/dbraw/zinc/66/86/67/398668667.db2.gz	WNCVOPPVMKHODF-OKZBNKHCSA-N	0	3	311.429	2.604	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1	ZINC000593687876	398671693	/nfs/dbraw/zinc/67/16/93/398671693.db2.gz	KNQLSTIERGMHET-GJZGRUSLSA-N	0	3	319.474	2.887	20	30		DFEDHN
CCn1nccc1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593693142	398672415	/nfs/dbraw/zinc/67/24/15/398672415.db2.gz	QRWAYKANNVSKCZ-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000593702132	398674055	/nfs/dbraw/zinc/67/40/55/398674055.db2.gz	CRBZWKOXZGJEJL-OCCSQVGLSA-N	0	3	307.825	2.651	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1nccn1C	ZINC000593723759	398677177	/nfs/dbraw/zinc/67/71/77/398677177.db2.gz	YIVCXOHRGJZMGY-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000593729128	398678139	/nfs/dbraw/zinc/67/81/39/398678139.db2.gz	NXECUGCNPIKIDP-WFASDCNBSA-N	0	3	305.447	2.677	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(C2(O)CC2)CC1	ZINC000593770083	398683533	/nfs/dbraw/zinc/68/35/33/398683533.db2.gz	PXJXHLWMHXUOBK-MRXNPFEDSA-N	0	3	312.413	2.522	20	30		DFEDHN
CC(C)C[C@@H]1COCCN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000072978594	191262933	/nfs/dbraw/zinc/26/29/33/191262933.db2.gz	IIKYKPZVFIQURG-QGZVFWFLSA-N	0	3	315.417	2.634	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1c2ccccc2CC[C@@H]1CN(C)C	ZINC000331919679	234277541	/nfs/dbraw/zinc/27/75/41/234277541.db2.gz	CCUGZDXGLIOOTF-OAHLLOKOSA-N	0	3	323.396	2.983	20	30		DFEDHN
Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C#N)c(C)c2)cnn1C	ZINC000331934781	234295990	/nfs/dbraw/zinc/29/59/90/234295990.db2.gz	DJKLAGQGRWVPNJ-ZWKOTPCHSA-N	0	3	310.401	2.528	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCOCCC#N	ZINC000404505831	398691604	/nfs/dbraw/zinc/69/16/04/398691604.db2.gz	MRSMCEPAKYKIEP-RCCFBDPRSA-N	0	3	315.461	2.900	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000073722594	398696274	/nfs/dbraw/zinc/69/62/74/398696274.db2.gz	LILSIXRYUOWRDF-PBHICJAKSA-N	0	3	316.449	2.895	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3ccccc3n2C)CC1	ZINC000106034839	398695158	/nfs/dbraw/zinc/69/51/58/398695158.db2.gz	RAMVEDSPANMHBO-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1cccc(C#N)c1	ZINC000590906366	398698938	/nfs/dbraw/zinc/69/89/38/398698938.db2.gz	VBGQAJQSJGDXFY-CQSZACIVSA-N	0	3	311.429	3.000	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)c1ccc(C#N)c(Cl)c1	ZINC000593882800	398699887	/nfs/dbraw/zinc/69/98/87/398699887.db2.gz	MCGUDXXHCQXAFK-UHFFFAOYSA-N	0	3	305.809	2.770	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1F	ZINC000597829027	398702982	/nfs/dbraw/zinc/70/29/82/398702982.db2.gz	MFAUFGGHEQAELO-HZPDHXFCSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1F	ZINC000593917752	398703107	/nfs/dbraw/zinc/70/31/07/398703107.db2.gz	JPCWKGDVFOWATD-RDJZCZTQSA-N	0	3	317.408	2.770	20	30		DFEDHN
C#CCSCCNCc1cnc2ccc(Br)cn12	ZINC000174421410	198332673	/nfs/dbraw/zinc/33/26/73/198332673.db2.gz	CEECVUYJWCFIMK-UHFFFAOYSA-N	0	3	324.247	2.553	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000590944258	398705766	/nfs/dbraw/zinc/70/57/66/398705766.db2.gz	QXGILSFHERYEFE-MWDXBVQZSA-N	0	3	318.465	2.727	20	30		DFEDHN
COc1cc(CN(C)CCOc2ccccc2C#N)ccc1O	ZINC000174541277	198349744	/nfs/dbraw/zinc/34/97/44/198349744.db2.gz	LHBROZBRCJWLEI-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
Cc1ccccc1CN1CCCN(Cc2ccc(C#N)cn2)CC1	ZINC000593942969	398705592	/nfs/dbraw/zinc/70/55/92/398705592.db2.gz	ZVVNXIGDEUJMSD-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
N#CCCCCC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000593961978	398708878	/nfs/dbraw/zinc/70/88/78/398708878.db2.gz	MPXDDHRLIKCGPV-UHFFFAOYSA-N	0	3	309.479	2.548	20	30		DFEDHN
N#CCCCCC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000593962608	398709035	/nfs/dbraw/zinc/70/90/35/398709035.db2.gz	SNDYZBHQQSMUBJ-UHFFFAOYSA-N	0	3	313.445	2.894	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCN(C4CCCCC4)CC3)n2c1	ZINC000126488095	282912627	/nfs/dbraw/zinc/91/26/27/282912627.db2.gz	NIARJTFSYVVHBY-UHFFFAOYSA-N	0	3	323.444	2.656	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)cc1Cl	ZINC000590972521	398711856	/nfs/dbraw/zinc/71/18/56/398711856.db2.gz	YMHIXAMPNHBPMY-DGFSRKRXSA-N	0	3	303.793	2.928	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000593989562	398715636	/nfs/dbraw/zinc/71/56/36/398715636.db2.gz	UIKVVFYTONGIOT-YJBOKZPZSA-N	0	3	313.445	2.680	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000277053920	213265568	/nfs/dbraw/zinc/26/55/68/213265568.db2.gz	VEQAWTMGRAOKFJ-KCPJHIHWSA-N	0	3	319.405	2.642	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000597921978	398721092	/nfs/dbraw/zinc/72/10/92/398721092.db2.gz	IPVNBSCOQONTKJ-MRXNPFEDSA-N	0	3	311.429	2.579	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)/C=C/c2cccc(C#N)c2)cc1	ZINC000129083255	283001548	/nfs/dbraw/zinc/00/15/48/283001548.db2.gz	PONZAPNESSETGW-ZHACJKMWSA-N	0	3	319.408	2.949	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)C1	ZINC000597923207	398721990	/nfs/dbraw/zinc/72/19/90/398721990.db2.gz	MYSHTTFWJYMMNC-AWEZNQCLSA-N	0	3	317.458	2.639	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@@H](OC3CCC3)C2)cc1	ZINC000594026102	398724668	/nfs/dbraw/zinc/72/46/68/398724668.db2.gz	COCMKEVOMAVXEI-GOSISDBHSA-N	0	3	300.402	2.971	20	30		DFEDHN
Cc1occc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000047011119	398732750	/nfs/dbraw/zinc/73/27/50/398732750.db2.gz	URSVPJCCIFACKC-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
Cc1nnc(NC[C@H](Cc2ccccc2)N(C)C)c(C#N)c1C	ZINC000074257854	398734413	/nfs/dbraw/zinc/73/44/13/398734413.db2.gz	FRBVKZGTYVMFSQ-INIZCTEOSA-N	0	3	309.417	2.550	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N2CC[C@H](N3CCCCC3)C2)c(F)c1	ZINC000268003330	283095572	/nfs/dbraw/zinc/09/55/72/283095572.db2.gz	XLSDYJUSFUDDCV-ZDUSSCGKSA-N	0	3	319.355	2.537	20	30		DFEDHN
Cc1csc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1C#N	ZINC000594109799	398745090	/nfs/dbraw/zinc/74/50/90/398745090.db2.gz	LIRKCCODCMSPBC-GFCCVEGCSA-N	0	3	304.419	2.534	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1CCO	ZINC000598066261	398746510	/nfs/dbraw/zinc/74/65/10/398746510.db2.gz	CEUVXJCWUPDLAB-KBAYOESNSA-N	0	3	314.429	2.768	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000177296836	198699824	/nfs/dbraw/zinc/69/98/24/198699824.db2.gz	VUIRFCOAVVHVFP-JQHSSLGASA-N	0	3	309.413	2.505	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCNC1	ZINC000591591452	398774676	/nfs/dbraw/zinc/77/46/76/398774676.db2.gz	DIJRCVQXIAMVCJ-IBGZPJMESA-N	0	3	303.365	2.700	20	30		DFEDHN
CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000594257922	398776281	/nfs/dbraw/zinc/77/62/81/398776281.db2.gz	SNLWDXZJMULYFO-HKUYNNGSSA-N	0	3	313.445	2.953	20	30		DFEDHN
COc1ccccc1[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N	ZINC000591608198	398776300	/nfs/dbraw/zinc/77/63/00/398776300.db2.gz	RUDGVPYJBLECLX-HZPDHXFCSA-N	0	3	315.417	2.770	20	30		DFEDHN
C[C@@H](NC(=O)[C@]1(C#N)CCNC1)c1cc(Cl)ccc1Cl	ZINC000591595292	398774787	/nfs/dbraw/zinc/77/47/87/398774787.db2.gz	XHIOPTXCOFIQHP-OTYXRUKQSA-N	0	3	312.200	2.674	20	30		DFEDHN
CC(C)(CNC(=O)[C@@]1(C#N)CCNC1)Cc1cccc(Cl)c1	ZINC000591622765	398776697	/nfs/dbraw/zinc/77/66/97/398776697.db2.gz	KOOQOVREKKOTQZ-QGZVFWFLSA-N	0	3	319.836	2.528	20	30		DFEDHN
C[C@H](NC(=O)[C@]1(C#N)CCNC1)c1cccc(Cl)c1Cl	ZINC000591616861	398776800	/nfs/dbraw/zinc/77/68/00/398776800.db2.gz	VSSAVLHEKCEDIP-XPTSAGLGSA-N	0	3	312.200	2.674	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2	ZINC000594283172	398778863	/nfs/dbraw/zinc/77/88/63/398778863.db2.gz	DBWVKGSVLDOGMA-ZWKOTPCHSA-N	0	3	324.428	2.600	20	30		DFEDHN
Cc1csc(N2CCCN(CCCSCC#N)CC2)n1	ZINC000074989090	398779520	/nfs/dbraw/zinc/77/95/20/398779520.db2.gz	WXRHANZVKHDXFC-UHFFFAOYSA-N	0	3	310.492	2.611	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594287926	398779791	/nfs/dbraw/zinc/77/97/91/398779791.db2.gz	CHMZWXZTWDOTPP-YJBOKZPZSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#CCC1(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000591764447	398785489	/nfs/dbraw/zinc/78/54/89/398785489.db2.gz	UIALEESVOLXDIX-WMZOPIPTSA-N	0	3	314.429	2.725	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC000594400323	398792359	/nfs/dbraw/zinc/79/23/59/398792359.db2.gz	PSDAJNMVCREORZ-QNWHQSFQSA-N	0	3	308.422	2.655	20	30		DFEDHN
CCc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000123181339	398796685	/nfs/dbraw/zinc/79/66/85/398796685.db2.gz	PEJJSXFFUXUAME-KDOFPFPSSA-N	0	3	301.434	2.954	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCCNC(=O)c2ccccc2)cc1	ZINC000178021065	198806382	/nfs/dbraw/zinc/80/63/82/198806382.db2.gz	JFIZDKOBDLCZCH-INIZCTEOSA-N	0	3	322.408	2.779	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594425509	398797947	/nfs/dbraw/zinc/79/79/47/398797947.db2.gz	KENCZDSNPMDQTK-DLBZAZTESA-N	0	3	315.417	2.770	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccccc21	ZINC000594428350	398798574	/nfs/dbraw/zinc/79/85/74/398798574.db2.gz	YIEIOXCGXYBGBE-KGLIPLIRSA-N	0	3	303.431	2.751	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1cccc(F)c1	ZINC000594429320	398798977	/nfs/dbraw/zinc/79/89/77/398798977.db2.gz	STWUQAKWOCJTIX-DLBZAZTESA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCCSc1ccccc1	ZINC000594427104	398798997	/nfs/dbraw/zinc/79/89/97/398798997.db2.gz	USYVLQVZBWHTBS-HNNXBMFYSA-N	0	3	305.447	2.696	20	30		DFEDHN
CCOc1cccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594431231	398799674	/nfs/dbraw/zinc/79/96/74/398799674.db2.gz	JXCHDPVIMAISMV-CJNGLKHVSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCc1cccc2ccccc21	ZINC000594430043	398799734	/nfs/dbraw/zinc/79/97/34/398799734.db2.gz	XNDPXCZSGHTITD-GOSISDBHSA-N	0	3	309.413	2.910	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)c1ccc(F)c(C#N)c1	ZINC000287347449	283241404	/nfs/dbraw/zinc/24/14/04/283241404.db2.gz	NFIQYTUQAMJUOF-UHFFFAOYSA-N	0	3	303.381	2.645	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1C[C@@H](OCC)C1(C)C	ZINC000594433685	398800691	/nfs/dbraw/zinc/80/06/91/398800691.db2.gz	QQQRNMHDGBFLSE-BZUAXINKSA-N	0	3	323.481	2.840	20	30		DFEDHN
N#Cc1ccc(CN2CCN(CCc3ccccc3)CC2)cc1	ZINC000049971253	398801006	/nfs/dbraw/zinc/80/10/06/398801006.db2.gz	IXQACROUDXGHLS-UHFFFAOYSA-N	0	3	305.425	2.919	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594435045	398801299	/nfs/dbraw/zinc/80/12/99/398801299.db2.gz	ZQLSKPNQVQOLPG-IAQYHMDHSA-N	0	3	309.360	2.596	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1nccs1	ZINC000594438355	398802234	/nfs/dbraw/zinc/80/22/34/398802234.db2.gz	OJMRSFLRTWCMOF-OLZOCXBDSA-N	0	3	306.435	2.608	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(OCC(F)F)cc1	ZINC000594434142	398801667	/nfs/dbraw/zinc/80/16/67/398801667.db2.gz	WSIMTWMIMJHLAF-ZDUSSCGKSA-N	0	3	311.332	2.680	20	30		DFEDHN
CCCCCn1nc(C)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594433917	398801690	/nfs/dbraw/zinc/80/16/90/398801690.db2.gz	UUEYQKLZCYVPJU-CQSZACIVSA-N	0	3	305.426	2.732	20	30		DFEDHN
Cc1cccnc1[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C	ZINC000594438968	398802025	/nfs/dbraw/zinc/80/20/25/398802025.db2.gz	ROTASRZQFNVEBH-LSDHHAIUSA-N	0	3	302.422	2.615	20	30		DFEDHN
CN(CCc1ccc(Cl)cc1)C(=O)[C@H](N)CCCCC#N	ZINC000594436578	398802060	/nfs/dbraw/zinc/80/20/60/398802060.db2.gz	KMGXXGPVZZGQAX-OAHLLOKOSA-N	0	3	307.825	2.752	20	30		DFEDHN
CCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCCC#N	ZINC000594437501	398802151	/nfs/dbraw/zinc/80/21/51/398802151.db2.gz	LVFUKZIAUMTVDJ-IAGOWNOFSA-N	0	3	301.434	2.925	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594438525	398802157	/nfs/dbraw/zinc/80/21/57/398802157.db2.gz	OHQVILUHKQRJLX-HOTGVXAUSA-N	0	3	315.417	2.770	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N	ZINC000594438524	398802613	/nfs/dbraw/zinc/80/26/13/398802613.db2.gz	OHQVILUHKQRJLX-CVEARBPZSA-N	0	3	315.417	2.770	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2Cl)CC1	ZINC000594439020	398802668	/nfs/dbraw/zinc/80/26/68/398802668.db2.gz	ZBXWBQWAMPPTRK-OAHLLOKOSA-N	0	3	319.836	2.899	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccncc1	ZINC000594441597	398803170	/nfs/dbraw/zinc/80/31/70/398803170.db2.gz	TVUPKXQKBCIUAH-MSOLQXFVSA-N	0	3	322.412	2.698	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)c1ccccc1	ZINC000594439323	398803226	/nfs/dbraw/zinc/80/32/26/398803226.db2.gz	PZDIHHIRNNBBQB-GOEBONIOSA-N	0	3	301.434	2.880	20	30		DFEDHN
CSCCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594439343	398803421	/nfs/dbraw/zinc/80/34/21/398803421.db2.gz	QGNLVZOLIDWYBV-OAHLLOKOSA-N	0	3	305.447	2.942	20	30		DFEDHN
Cc1ccccc1C[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N	ZINC000594440337	398803461	/nfs/dbraw/zinc/80/34/61/398803461.db2.gz	XRQKZNQMTBXZMC-QZTJIDSGSA-N	0	3	313.445	2.940	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl	ZINC000594446491	398804577	/nfs/dbraw/zinc/80/45/77/398804577.db2.gz	ULXXSLUUPLWFMQ-GJZGRUSLSA-N	0	3	323.824	2.555	20	30		DFEDHN
CC(C)(C)NC(=O)CCNCc1ccc(C(C)(C)C#N)cc1	ZINC000594498931	398810225	/nfs/dbraw/zinc/81/02/25/398810225.db2.gz	NNFRQNQJGGUKGN-UHFFFAOYSA-N	0	3	301.434	2.882	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(C#N)c[nH]1	ZINC000179239232	199003346	/nfs/dbraw/zinc/00/33/46/199003346.db2.gz	WFUBQIVOBRNOIL-UHFFFAOYSA-N	0	3	310.401	2.527	20	30		DFEDHN
COc1cc(CNC[C@H](C)C(=O)OC(C)(C)C)ccc1C#N	ZINC000594513185	398813817	/nfs/dbraw/zinc/81/38/17/398813817.db2.gz	BWQUCIOYBPEACJ-LBPRGKRZSA-N	0	3	304.390	2.634	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCc2ccco2)cc1	ZINC000598439680	398813834	/nfs/dbraw/zinc/81/38/34/398813834.db2.gz	SEFXDWGPMCJLEJ-MRXNPFEDSA-N	0	3	307.353	2.583	20	30		DFEDHN
COC(=O)c1cc(CNC2(c3ccc(C#N)cc3)CCC2)c[nH]1	ZINC000594522527	398816383	/nfs/dbraw/zinc/81/63/83/398816383.db2.gz	ZIPDPFKMDRSJBS-UHFFFAOYSA-N	0	3	309.369	2.842	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)c2c(F)cccc2F)CC1	ZINC000179668547	199073434	/nfs/dbraw/zinc/07/34/34/199073434.db2.gz	IISXVBBNMDGZOL-GFCCVEGCSA-N	0	3	308.372	2.835	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CCC(C)(C)C2)c(OC)c1	ZINC000076015247	398833647	/nfs/dbraw/zinc/83/36/47/398833647.db2.gz	GONDWYVYROFFOO-INIZCTEOSA-N	0	3	319.445	2.895	20	30		DFEDHN
COCCN(C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1	ZINC000598586655	398835927	/nfs/dbraw/zinc/83/59/27/398835927.db2.gz	KIEDRQNEAQCXOG-WBVHZDCISA-N	0	3	304.434	2.997	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](Cn1cccn1)c1ccccc1	ZINC000598595295	398837492	/nfs/dbraw/zinc/83/74/92/398837492.db2.gz	HZFRECJFWROTOR-DLBZAZTESA-N	0	3	312.417	2.515	20	30		DFEDHN
CC(C)[C@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594656140	398838174	/nfs/dbraw/zinc/83/81/74/398838174.db2.gz	FODAAPFRDLISLO-ZDUSSCGKSA-N	0	3	309.295	2.814	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC(Cc2ccc(F)c(F)c2)C1	ZINC000598599729	398839305	/nfs/dbraw/zinc/83/93/05/398839305.db2.gz	QGUNIMRWPIJJNJ-CQSZACIVSA-N	0	3	308.372	2.740	20	30		DFEDHN
CN(C[C@@H](O)CC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1	ZINC000598620834	398842835	/nfs/dbraw/zinc/84/28/35/398842835.db2.gz	NWKRBBTXAVJTOF-GJZGRUSLSA-N	0	3	310.825	2.606	20	30		DFEDHN
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C[C@@H](O)CC(C)(C)C#N	ZINC000598623052	398842925	/nfs/dbraw/zinc/84/29/25/398842925.db2.gz	UDMJWYDGRSEUSI-ILXRZTDVSA-N	0	3	324.465	2.729	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1cccs1)C1(CO)CCC1	ZINC000598619505	398841764	/nfs/dbraw/zinc/84/17/64/398841764.db2.gz	DNLWZAZIDGGHSE-DZGCQCFKSA-N	0	3	322.474	2.842	20	30		DFEDHN
N#CCC1(CNc2ccccc2CN2CCC(CO)CC2)CC1	ZINC000594699835	398844988	/nfs/dbraw/zinc/84/49/88/398844988.db2.gz	CZTYHHCMFMQISM-UHFFFAOYSA-N	0	3	313.445	2.997	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)c2cccc(CC#N)c2)c1	ZINC000052611116	398847897	/nfs/dbraw/zinc/84/78/97/398847897.db2.gz	VFHMCGFGBTXJBX-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNC[C@H](OC1CCCC1)C(F)(F)F	ZINC000598705204	398858207	/nfs/dbraw/zinc/85/82/07/398858207.db2.gz	GPQHDVAZEXVYOL-YPMHNXCESA-N	0	3	322.371	2.767	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000598705203	398858310	/nfs/dbraw/zinc/85/83/10/398858310.db2.gz	GPQHDVAZEXVYOL-WCQYABFASA-N	0	3	322.371	2.767	20	30		DFEDHN
N#Cc1cc(Br)ccc1N[C@H]1CCN(C2CC2)C1	ZINC000132195387	398855643	/nfs/dbraw/zinc/85/56/43/398855643.db2.gz	XHXPKZSDJKEJRC-LBPRGKRZSA-N	0	3	306.207	2.969	20	30		DFEDHN
CC(C)(C)Oc1cccc(CNC[C@@H](O)CC(C)(C)C#N)n1	ZINC000598727623	398863325	/nfs/dbraw/zinc/86/33/25/398863325.db2.gz	YJYQVTWIQBVDAT-AWEZNQCLSA-N	0	3	305.422	2.649	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2ccccc2-n2ccnc21	ZINC000598730461	398864046	/nfs/dbraw/zinc/86/40/46/398864046.db2.gz	VZVVBFGUWOVMRS-CVEARBPZSA-N	0	3	324.428	2.750	20	30		DFEDHN
N#CC1(c2ccc(CNCCC(=O)N3CCCCC3)cc2)CC1	ZINC000594925545	398873093	/nfs/dbraw/zinc/87/30/93/398873093.db2.gz	NPNMDLBEXUDHHA-UHFFFAOYSA-N	0	3	311.429	2.734	20	30		DFEDHN
C[C@H]1CN(C)c2ccccc2CN1C[C@H](O)CC(C)(C)C#N	ZINC000598797268	398874380	/nfs/dbraw/zinc/87/43/80/398874380.db2.gz	JVZLFQKSGFIEHC-GOEBONIOSA-N	0	3	301.434	2.628	20	30		DFEDHN
C[S@](=O)C1(CNCc2ccc(C3(C#N)CC3)cc2)CCC1	ZINC000594936889	398876387	/nfs/dbraw/zinc/87/63/87/398876387.db2.gz	MNZZTQFZZJECSD-NRFANRHFSA-N	0	3	302.443	2.633	20	30		DFEDHN
N#Cc1ccc(CCNCc2nccn2CC(F)(F)F)cc1	ZINC000594954984	398881043	/nfs/dbraw/zinc/88/10/43/398881043.db2.gz	JEOZRZNETDUANF-UHFFFAOYSA-N	0	3	308.307	2.649	20	30		DFEDHN
COc1ccc(CN[C@H](C)C2(CO)CC2)cc1OCCCC#N	ZINC000594967014	398882955	/nfs/dbraw/zinc/88/29/55/398882955.db2.gz	VAPMNZPBMBFFTB-CQSZACIVSA-N	0	3	318.417	2.628	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000139912239	398887183	/nfs/dbraw/zinc/88/71/83/398887183.db2.gz	FDTCQTSDDHRXMP-HNNXBMFYSA-N	0	3	322.474	2.669	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc(C#N)cc2F)cn1	ZINC000594977921	398885280	/nfs/dbraw/zinc/88/52/80/398885280.db2.gz	CLSKVBLNZJOTJR-YJBOKZPZSA-N	0	3	312.392	2.932	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nccn1C	ZINC000595000731	398889391	/nfs/dbraw/zinc/88/93/91/398889391.db2.gz	MPEKKQLKYGPVIJ-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
N#Cc1ccc(CNCC2(CC(N)=O)CCCCC2)c(F)c1	ZINC000595000283	398889589	/nfs/dbraw/zinc/88/95/89/398889589.db2.gz	JHPUMSMYVNICFS-UHFFFAOYSA-N	0	3	303.381	2.613	20	30		DFEDHN
Cn1cncc1CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000598917929	398892724	/nfs/dbraw/zinc/89/27/24/398892724.db2.gz	LHLRXMIPCJPBCW-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
C=CCN(CCc1cnn(C)c1)Cc1cccc([N+](=O)[O-])c1	ZINC000077272196	398894125	/nfs/dbraw/zinc/89/41/25/398894125.db2.gz	VDUIDJBNVIXNMY-UHFFFAOYSA-N	0	3	300.362	2.559	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1	ZINC000077456862	398904835	/nfs/dbraw/zinc/90/48/35/398904835.db2.gz	XFVSRUCWENYRHZ-NVXWUHKLSA-N	0	3	323.458	2.697	20	30		DFEDHN
C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C	ZINC000187174390	200071449	/nfs/dbraw/zinc/07/14/49/200071449.db2.gz	CMOSHBXYHUSCKV-MGPUTAFESA-N	0	3	321.424	2.908	20	30		DFEDHN
C=CCS(=O)(=O)CCNC[C@@H](C)c1cccc(Cl)c1	ZINC000276275431	212770819	/nfs/dbraw/zinc/77/08/19/212770819.db2.gz	RGXGEDJJQQGYRX-GFCCVEGCSA-N	0	3	301.839	2.634	20	30		DFEDHN
N#CC1(CNC(=O)Nc2ccc3c(c2)CNCC3)CCCCC1	ZINC000595233109	398911586	/nfs/dbraw/zinc/91/15/86/398911586.db2.gz	SPRURPACYMWFAM-UHFFFAOYSA-N	0	3	312.417	2.928	20	30		DFEDHN
Cc1cc(F)ccc1C[C@@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000595255593	398913532	/nfs/dbraw/zinc/91/35/32/398913532.db2.gz	GCLDWHXLGHVBGG-CZUORRHYSA-N	0	3	305.397	2.593	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CCOC	ZINC000187682183	200144421	/nfs/dbraw/zinc/14/44/21/200144421.db2.gz	HVJBEGDLYRLIOX-MAUKXSAKSA-N	0	3	301.434	2.662	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNC2CCCCCC2)cc1	ZINC000147729024	398913121	/nfs/dbraw/zinc/91/31/21/398913121.db2.gz	VNUCYNKHWXCKRY-UHFFFAOYSA-N	0	3	306.431	2.644	20	30		DFEDHN
Cc1ccccc1C(F)(F)CNC(=O)[C@H](N)CCCCC#N	ZINC000595260189	398914218	/nfs/dbraw/zinc/91/42/18/398914218.db2.gz	WTPFPLFDZJDHEI-CQSZACIVSA-N	0	3	309.360	2.614	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@](C)(C#N)C2)cc1	ZINC000595266512	398914717	/nfs/dbraw/zinc/91/47/17/398914717.db2.gz	ADRPSNVCCLEKTA-AEFFLSMTSA-N	0	3	314.433	2.755	20	30		DFEDHN
C=CCCSCCNC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000595271301	398914816	/nfs/dbraw/zinc/91/48/16/398914816.db2.gz	KGVURGYBYCHJEP-MRXNPFEDSA-N	0	3	319.474	2.563	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1	ZINC000599071830	398917488	/nfs/dbraw/zinc/91/74/88/398917488.db2.gz	UKVGZGGDTNGXMS-KMFMINBZSA-N	0	3	319.836	2.827	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCc1ccc(C#N)cc1	ZINC000595295113	398917547	/nfs/dbraw/zinc/91/75/47/398917547.db2.gz	FHOURSXWQPISKP-KSZLIROESA-N	0	3	312.413	2.907	20	30		DFEDHN
CC(C)N(CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595296487	398917560	/nfs/dbraw/zinc/91/75/60/398917560.db2.gz	DVESBUBLXSGPBG-IRXDYDNUSA-N	0	3	315.461	2.878	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H](C)N1	ZINC000599110571	398922478	/nfs/dbraw/zinc/92/24/78/398922478.db2.gz	XXTGDYSAFKZMDM-DTORHVGOSA-N	0	3	320.318	2.710	20	30		DFEDHN
Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)co1	ZINC000189013613	200335990	/nfs/dbraw/zinc/33/59/90/200335990.db2.gz	ZEHDTCNJEZJNOX-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](c2ccc(F)c(C)c2)C2CC2)C1=O	ZINC000281936342	334991457	/nfs/dbraw/zinc/99/14/57/334991457.db2.gz	INCJQDUPVRBRDA-IAGOWNOFSA-N	0	3	302.393	2.962	20	30		DFEDHN
N#Cc1cc2cccnc2nc1NC[C@H]1CCN1C1CCCC1	ZINC000599166717	398932553	/nfs/dbraw/zinc/93/25/53/398932553.db2.gz	YQKLOGLHRLWVCR-MRXNPFEDSA-N	0	3	307.401	2.930	20	30		DFEDHN
C[S@](=O)C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416345	398934482	/nfs/dbraw/zinc/93/44/82/398934482.db2.gz	ANTPXOFIQXNSGU-AVRDEDQJSA-N	0	3	312.438	2.810	20	30		DFEDHN
CCOC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C	ZINC000189795560	200453119	/nfs/dbraw/zinc/45/31/19/200453119.db2.gz	AFCSODINBIAYDI-XJKSGUPXSA-N	0	3	303.406	2.536	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1	ZINC000599202760	398939409	/nfs/dbraw/zinc/93/94/09/398939409.db2.gz	HHLUPAACLHWEIO-MRXNPFEDSA-N	0	3	318.465	2.777	20	30		DFEDHN
C=CCN(C)Cc1cccc(C(=O)OC)c1CN(C)CC=C	ZINC000595446446	398940685	/nfs/dbraw/zinc/94/06/85/398940685.db2.gz	LGMMMSCASZNTRB-UHFFFAOYSA-N	0	3	302.418	2.709	20	30		DFEDHN
C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1	ZINC000595460968	398943107	/nfs/dbraw/zinc/94/31/07/398943107.db2.gz	IYZKGMRXSTVNGL-BBRMVZONSA-N	0	3	314.433	2.791	20	30		DFEDHN
Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1C#N	ZINC000599268004	398944697	/nfs/dbraw/zinc/94/46/97/398944697.db2.gz	VYWXSLNHZHNGDF-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1C#N	ZINC000599266079	398944847	/nfs/dbraw/zinc/94/48/47/398944847.db2.gz	NBNDYEWTWAXGHV-KRWDZBQOSA-N	0	3	311.429	2.605	20	30		DFEDHN
Cc1cc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1C#N	ZINC000595481296	398947031	/nfs/dbraw/zinc/94/70/31/398947031.db2.gz	FHGUINLXHJJKGQ-KBPBESRZSA-N	0	3	300.324	2.904	20	30		DFEDHN
CCN(C[C@@H](O)CC1(O)CCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000599270395	398945762	/nfs/dbraw/zinc/94/57/62/398945762.db2.gz	IMWAEYRNZHEVLW-YOEHRIQHSA-N	0	3	302.418	2.607	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1C#N	ZINC000599291877	398948138	/nfs/dbraw/zinc/94/81/38/398948138.db2.gz	UOPOPPLPQQZCRG-KRWDZBQOSA-N	0	3	311.429	2.701	20	30		DFEDHN
COc1c(C)cc(CN(C)C[C@@H](O)CC2(C#N)CC2)cc1C	ZINC000599280194	398947456	/nfs/dbraw/zinc/94/74/56/398947456.db2.gz	YPAHSTBTDVOOII-INIZCTEOSA-N	0	3	302.418	2.799	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000595496003	398950365	/nfs/dbraw/zinc/95/03/65/398950365.db2.gz	XDZILDIAHGWDJP-UHFFFAOYSA-N	0	3	318.465	2.800	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000272007559	209379895	/nfs/dbraw/zinc/37/98/95/209379895.db2.gz	PKXSADFOHWICRV-RDTXWAMCSA-N	0	3	322.412	2.527	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NCC2=CCN(C)CC2)c1	ZINC000271980456	209357379	/nfs/dbraw/zinc/35/73/79/209357379.db2.gz	OMPJXCRUZNKHPX-UHFFFAOYSA-N	0	3	301.390	2.635	20	30		DFEDHN
Cc1cc([C@H](C)NC[C@H](O)CC2(C#N)CCOCC2)ccc1F	ZINC000599352600	398958941	/nfs/dbraw/zinc/95/89/41/398958941.db2.gz	DEYMSWZONBTBBO-GOEBONIOSA-N	0	3	320.408	2.856	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595546897	398964553	/nfs/dbraw/zinc/96/45/53/398964553.db2.gz	PLHHMIWFNSZNGJ-HOTGVXAUSA-N	0	3	320.481	2.880	20	30		DFEDHN
N#Cc1c(F)cccc1N1CCN(CCC2CCOCC2)CC1	ZINC000292600373	223166761	/nfs/dbraw/zinc/16/67/61/223166761.db2.gz	LDIWNZXIFUNUQR-UHFFFAOYSA-N	0	3	317.408	2.636	20	30		DFEDHN
COCCN(CCC1CCOCC1)Cc1ccc(C#N)cc1	ZINC000292612108	223170744	/nfs/dbraw/zinc/17/07/44/223170744.db2.gz	MCRDQEXAQZLACR-UHFFFAOYSA-N	0	3	302.418	2.823	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H](CO)[C@H](C)c1ccccc1	ZINC000613389394	398968499	/nfs/dbraw/zinc/96/84/99/398968499.db2.gz	MIWROAKCZOMBJP-KDOFPFPSSA-N	0	3	310.397	2.821	20	30		DFEDHN
CO[C@H](CNC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCOC1	ZINC000595561237	398971819	/nfs/dbraw/zinc/97/18/19/398971819.db2.gz	IFDMZOHSLVOJLW-DOTOQJQBSA-N	0	3	300.402	2.579	20	30		DFEDHN
CO[C@H](CNC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCOC1	ZINC000595561238	398971861	/nfs/dbraw/zinc/97/18/61/398971861.db2.gz	IFDMZOHSLVOJLW-NVXWUHKLSA-N	0	3	300.402	2.579	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc(C#N)c1	ZINC000271873226	209286465	/nfs/dbraw/zinc/28/64/65/209286465.db2.gz	NHJAVAQDXLQTIR-GDIGMMSISA-N	0	3	310.397	2.693	20	30		DFEDHN
CN(C)CCn1cc(Nc2nc(C(C)(C)C)ccc2C#N)cn1	ZINC000613417252	398977034	/nfs/dbraw/zinc/97/70/34/398977034.db2.gz	HFABSNRPNKODJZ-UHFFFAOYSA-N	0	3	312.421	2.752	20	30		DFEDHN
COc1cccc([C@H](CNc2nc(C)ccc2C#N)N(C)C)c1	ZINC000194308562	201198894	/nfs/dbraw/zinc/19/88/94/201198894.db2.gz	VVYMBVQTHUCPNY-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@H](CO)Cc1ccccc1	ZINC000595596558	398990600	/nfs/dbraw/zinc/99/06/00/398990600.db2.gz	OKGGHZGHYAVFBW-SFHVURJKSA-N	0	3	310.397	2.602	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000595610291	398996918	/nfs/dbraw/zinc/99/69/18/398996918.db2.gz	VSPGUVHPZLVJLE-ZIAGYGMSSA-N	0	3	308.809	2.705	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000599526770	399003008	/nfs/dbraw/zinc/00/30/08/399003008.db2.gz	RQRYARGOOSNZOA-HNNXBMFYSA-N	0	3	315.417	2.850	20	30		DFEDHN
N#CC[C@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000595615791	399003076	/nfs/dbraw/zinc/00/30/76/399003076.db2.gz	TYXQMOMETUAAMU-CQSZACIVSA-N	0	3	302.374	2.810	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@@H](CO)C2CCC2)c1	ZINC000595617326	399004207	/nfs/dbraw/zinc/00/42/07/399004207.db2.gz	RSGAIKIMDFCLBF-AWEZNQCLSA-N	0	3	309.207	2.571	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000595621427	399005620	/nfs/dbraw/zinc/00/56/20/399005620.db2.gz	UTOLCOMFNKGWHT-GFCCVEGCSA-N	0	3	307.344	2.919	20	30		DFEDHN
Cc1ccc(CN2CC3(CCOCC3)CC[C@@H]2CO)cc1C#N	ZINC000599544378	399007472	/nfs/dbraw/zinc/00/74/72/399007472.db2.gz	FMJJJKHILRDVHX-GOSISDBHSA-N	0	3	314.429	2.620	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cccc(C#N)c1	ZINC000271805432	209232925	/nfs/dbraw/zinc/23/29/25/209232925.db2.gz	LDAIKAMPBCPHKI-SUMWQHHRSA-N	0	3	314.360	2.788	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1	ZINC000057138121	399015850	/nfs/dbraw/zinc/01/58/50/399015850.db2.gz	VVSSINWSTABYPH-IBGZPJMESA-N	0	3	322.408	2.830	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1	ZINC000057137943	399016283	/nfs/dbraw/zinc/01/62/83/399016283.db2.gz	VXGFTEMMQBUARQ-HNNXBMFYSA-N	0	3	314.429	2.526	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1	ZINC000057153934	399018714	/nfs/dbraw/zinc/01/87/14/399018714.db2.gz	ZIUOTQABCSWFCA-UHFFFAOYSA-N	0	3	310.319	2.989	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595659971	399023263	/nfs/dbraw/zinc/02/32/63/399023263.db2.gz	OZBDQOXCEUNTKS-SJLPKXTDSA-N	0	3	309.413	2.952	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2)C1	ZINC000595660452	399025052	/nfs/dbraw/zinc/02/50/52/399025052.db2.gz	QXTNUOWQAZBMED-AWEZNQCLSA-N	0	3	301.390	2.623	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000595660927	399025279	/nfs/dbraw/zinc/02/52/79/399025279.db2.gz	GQPNMUHCDCTTTA-INIZCTEOSA-N	0	3	314.433	2.572	20	30		DFEDHN
C=C(C)CN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000079225349	399026864	/nfs/dbraw/zinc/02/68/64/399026864.db2.gz	JWJWGMQXTAPFOC-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1)OCCNC2	ZINC000599615319	399031090	/nfs/dbraw/zinc/03/10/90/399031090.db2.gz	XIBNWZZNKGSZDJ-UHFFFAOYSA-N	0	3	316.405	2.620	20	30		DFEDHN
CC(C)CC[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000600308024	399030259	/nfs/dbraw/zinc/03/02/59/399030259.db2.gz	ZXHLSNDHKNQOAN-SJORKVTESA-N	0	3	302.418	2.672	20	30		DFEDHN
C=C(C)COc1cc(CN(C)C[C@@H](C)C(=O)OC)ccc1OC	ZINC000091987499	193136909	/nfs/dbraw/zinc/13/69/09/193136909.db2.gz	DCHYLVKWLIXYGR-CQSZACIVSA-N	0	3	321.417	2.891	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCCOc1ccc(Cl)cc1	ZINC000605738764	399040355	/nfs/dbraw/zinc/04/03/55/399040355.db2.gz	PRODOVKADKUFJU-UHFFFAOYSA-N	0	3	310.825	2.733	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000595704986	399047473	/nfs/dbraw/zinc/04/74/73/399047473.db2.gz	UIKUMKLIKVZKGQ-MRXNPFEDSA-N	0	3	314.433	2.572	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000595706141	399047612	/nfs/dbraw/zinc/04/76/12/399047612.db2.gz	GSKZQWRHEAJRAM-OJFPTFHUSA-N	0	3	313.445	2.747	20	30		DFEDHN
COc1ccc([C@@H]2CCN(C[C@@H](O)CC(C)(C)C#N)C2)cc1F	ZINC000599675794	399056061	/nfs/dbraw/zinc/05/60/61/399056061.db2.gz	OTOWDBQSYBRITC-CABCVRRESA-N	0	3	320.408	2.924	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000595730033	399059142	/nfs/dbraw/zinc/05/91/42/399059142.db2.gz	ZIOUVMKGVKALEU-RDJZCZTQSA-N	0	3	311.429	2.588	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCCCC2)C1	ZINC000595732172	399060339	/nfs/dbraw/zinc/06/03/39/399060339.db2.gz	CRUMZDGDBRXUPV-GDBMZVCRSA-N	0	3	303.450	2.840	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(CC#N)cc2)[C@@H](C)C1	ZINC000599694062	399067899	/nfs/dbraw/zinc/06/78/99/399067899.db2.gz	GGTFZAWMHWGWDC-XOIINTDNSA-N	0	3	300.402	2.915	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2cccc(Cl)c2C)CC1	ZINC000172515842	399082266	/nfs/dbraw/zinc/08/22/66/399082266.db2.gz	IZTSUTZKNDTGON-UHFFFAOYSA-N	0	3	322.836	2.794	20	30		DFEDHN
CCC[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000079790219	399085278	/nfs/dbraw/zinc/08/52/78/399085278.db2.gz	KGFMEHUPPTVTLA-ZWKOTPCHSA-N	0	3	313.445	2.885	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H]3COC[C@H]3C2)c(OC(F)F)c1	ZINC000595829014	399102687	/nfs/dbraw/zinc/10/26/87/399102687.db2.gz	GHJGSKHNUVQXOS-UONOGXRCSA-N	0	3	308.328	2.628	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1	ZINC000284339656	335011261	/nfs/dbraw/zinc/01/12/61/335011261.db2.gz	MRRHSCPDRRFGMM-QILLFSRXSA-N	0	3	319.445	2.507	20	30		DFEDHN
Cc1cccnc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000093157689	193209452	/nfs/dbraw/zinc/20/94/52/193209452.db2.gz	NJYSUMRSTORUAN-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1[C@@H]2CC[C@H]1CC(C)C2	ZINC000595856838	399115188	/nfs/dbraw/zinc/11/51/88/399115188.db2.gz	GFMYDRIUEGKIGR-VIYLOZMYSA-N	0	3	303.450	2.980	20	30		DFEDHN
COC(C)(C)CNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000174594208	399115555	/nfs/dbraw/zinc/11/55/55/399115555.db2.gz	MWAHSBILEGZSIH-UHFFFAOYSA-N	0	3	312.417	2.978	20	30		DFEDHN
C[C@H](Cc1ccccc1)N(CC(=O)NCC#N)Cc1ccccc1	ZINC000595866365	399117847	/nfs/dbraw/zinc/11/78/47/399117847.db2.gz	KZVKAFQXKPQDCK-QGZVFWFLSA-N	0	3	321.424	2.760	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl	ZINC000600696040	399118138	/nfs/dbraw/zinc/11/81/38/399118138.db2.gz	OWEWCOCESZTFTN-JTQLQIEISA-N	0	3	312.200	2.689	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CCc2ccccc21	ZINC000595878366	399120039	/nfs/dbraw/zinc/12/00/39/399120039.db2.gz	NPBAGXQQZNKCPE-HOCLYGCPSA-N	0	3	311.429	2.599	20	30		DFEDHN
Cc1ccc(CN2CCC(n3ncc4c3CNC4)CC2)cc1C#N	ZINC000600712697	399120380	/nfs/dbraw/zinc/12/03/80/399120380.db2.gz	ZRAKIJPNXSLNRS-UHFFFAOYSA-N	0	3	321.428	2.504	20	30		DFEDHN
C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cnc2ccc(C#N)cn12	ZINC000093324686	193231681	/nfs/dbraw/zinc/23/16/81/193231681.db2.gz	ADPVZBPJKMBFLF-AWEZNQCLSA-N	0	3	320.396	2.975	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2Cl)CCOCC1	ZINC000600714455	399121892	/nfs/dbraw/zinc/12/18/92/399121892.db2.gz	RYLGPUDUKRZVHL-AWEZNQCLSA-N	0	3	308.809	2.501	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(OC3CCCC3)nc2)CC1	ZINC000600718373	399123358	/nfs/dbraw/zinc/12/33/58/399123358.db2.gz	WYNZURMURKVRGJ-HNNXBMFYSA-N	0	3	315.417	2.547	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1	ZINC000600720454	399124581	/nfs/dbraw/zinc/12/45/81/399124581.db2.gz	PQIYYLXPJCDEGI-ULQDDVLXSA-N	0	3	318.392	2.690	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCSCC(C)C)CC1	ZINC000179138786	399127913	/nfs/dbraw/zinc/12/79/13/399127913.db2.gz	DBRMFFYPXGDWNZ-UHFFFAOYSA-N	0	3	313.511	2.715	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@H](C)C(=O)NC)cc1Cl	ZINC000093898694	193325231	/nfs/dbraw/zinc/32/52/31/193325231.db2.gz	WZJGTUXBMDSVHW-LBPRGKRZSA-N	0	3	310.825	2.719	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CCc1ccccn1)C(C)C	ZINC000263654343	203495258	/nfs/dbraw/zinc/49/52/58/203495258.db2.gz	FHRVVWMMZDYZIK-SFHVURJKSA-N	0	3	315.461	2.829	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000600735180	399129214	/nfs/dbraw/zinc/12/92/14/399129214.db2.gz	ISNIOFAIZLNEDS-JQWIXIFHSA-N	0	3	310.319	2.736	20	30		DFEDHN
Cc1ccc(Br)cc1CNC[C@H](O)CC1(C#N)CC1	ZINC000600733961	399128778	/nfs/dbraw/zinc/12/87/78/399128778.db2.gz	MAVLSBHFSOEUTJ-CQSZACIVSA-N	0	3	323.234	2.902	20	30		DFEDHN
COc1cc(C#N)ccc1CN1C[C@]23COC[C@@]2(C1)CCCC3	ZINC000595910326	399132297	/nfs/dbraw/zinc/13/22/97/399132297.db2.gz	OYHHXYHRCQEFTB-KDURUIRLSA-N	0	3	312.413	2.959	20	30		DFEDHN
N#CC1(CNC(=O)c2cc3c(s2)CCNC3)CCCCC1	ZINC000595943041	399141159	/nfs/dbraw/zinc/14/11/59/399141159.db2.gz	HISSNDFRAKGVLD-UHFFFAOYSA-N	0	3	303.431	2.598	20	30		DFEDHN
COC[C@H](NCCCSCC#N)c1ccc(F)c(F)c1	ZINC000181447188	399140933	/nfs/dbraw/zinc/14/09/33/399140933.db2.gz	JNJFVTBDIIMIDE-AWEZNQCLSA-N	0	3	300.374	2.889	20	30		DFEDHN
CC1(C)CCCN[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000595975488	399142993	/nfs/dbraw/zinc/14/29/93/399142993.db2.gz	HVOVBAFAJLLCHW-IXDOHACOSA-N	0	3	311.429	2.530	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@H]1c1ccccc1	ZINC000595975771	399143276	/nfs/dbraw/zinc/14/32/76/399143276.db2.gz	KTZYSNOCRROHDM-MOPGFXCFSA-N	0	3	317.392	2.669	20	30		DFEDHN
N#C[C@@]1(C(=O)NCc2ccc(-c3cccs3)cc2)CCNC1	ZINC000595962317	399142263	/nfs/dbraw/zinc/14/22/63/399142263.db2.gz	ZRLGSTQCQCYLJK-KRWDZBQOSA-N	0	3	311.410	2.535	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)c2cccc3c2CNC3)C[C@H]1c1ccccc1	ZINC000595977028	399143989	/nfs/dbraw/zinc/14/39/89/399143989.db2.gz	XEGUAWRNEKVOLI-APWZRJJASA-N	0	3	317.392	2.669	20	30		DFEDHN
C[C@](Cc1ccccc1)(NC(=O)[C@@H](N)CCCCC#N)C1CC1	ZINC000595977080	399144224	/nfs/dbraw/zinc/14/42/24/399144224.db2.gz	YWYAUQMLBSMGGF-PKOBYXMFSA-N	0	3	313.445	2.925	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C#N)c1ccsc1	ZINC000182523260	399144644	/nfs/dbraw/zinc/14/46/44/399144644.db2.gz	GYQXJZXHZDDAQJ-JSGCOSHPSA-N	0	3	308.451	2.590	20	30		DFEDHN
CC[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)N(CC)CC	ZINC000600783305	399144736	/nfs/dbraw/zinc/14/47/36/399144736.db2.gz	RUMGIDZAFAWSRO-GOSISDBHSA-N	0	3	313.445	2.758	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000134926801	335014521	/nfs/dbraw/zinc/01/45/21/335014521.db2.gz	VKHAIUGAASBWOC-WMZOPIPTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000182667909	399147985	/nfs/dbraw/zinc/14/79/85/399147985.db2.gz	CXLYTUFMHPUOEB-LSDHHAIUSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccsc1	ZINC000061362669	399154491	/nfs/dbraw/zinc/15/44/91/399154491.db2.gz	IDGUFKLRKGZGBK-DOMZBBRYSA-N	0	3	302.399	2.710	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NCCN(C)C1CC1	ZINC000264816148	204179298	/nfs/dbraw/zinc/17/92/98/204179298.db2.gz	GWNQYVGZPILACL-UHFFFAOYSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CC1	ZINC000183810097	399155339	/nfs/dbraw/zinc/15/53/39/399155339.db2.gz	LBPNEFIEPBRPIQ-USXIJHARSA-N	0	3	305.466	2.857	20	30		DFEDHN
CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000596048925	399155589	/nfs/dbraw/zinc/15/55/89/399155589.db2.gz	GGFWDPDLPNQOBS-LBPRGKRZSA-N	0	3	313.323	2.653	20	30		DFEDHN
C#CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000264897689	204249528	/nfs/dbraw/zinc/24/95/28/204249528.db2.gz	NSSKGTDVHGOHRU-MRXNPFEDSA-N	0	3	324.346	2.581	20	30		DFEDHN
CCn1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)cn1	ZINC000264948476	204295484	/nfs/dbraw/zinc/29/54/84/204295484.db2.gz	UQMHOAMSYGJROH-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
C#CCOc1ccc(CN[C@H](C)COCC(F)(F)F)cc1	ZINC000264949698	204295995	/nfs/dbraw/zinc/29/59/95/204295995.db2.gz	KDQBSYMXDZJLHZ-GFCCVEGCSA-N	0	3	301.308	2.756	20	30		DFEDHN
N#CCCn1cc(CNCCOCCF)c(-c2ccccc2)n1	ZINC000596059156	399158879	/nfs/dbraw/zinc/15/88/79/399158879.db2.gz	VNKXTQCRWPBEGM-UHFFFAOYSA-N	0	3	316.380	2.539	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1	ZINC000264992594	204329156	/nfs/dbraw/zinc/32/91/56/204329156.db2.gz	XGTQJADFFKFLKD-QGZVFWFLSA-N	0	3	308.381	2.966	20	30		DFEDHN
CCN1CCN(CCNc2cccc(C(F)F)c2C#N)CC1	ZINC000596073175	399163634	/nfs/dbraw/zinc/16/36/34/399163634.db2.gz	IFOMPWDKJMAHMK-UHFFFAOYSA-N	0	3	308.376	2.545	20	30		DFEDHN
C#CC[C@@H](NC[C@H](O)COc1ccccc1F)c1ccccc1	ZINC000271746163	209176889	/nfs/dbraw/zinc/17/68/89/209176889.db2.gz	WMYQJVZJFAVBSI-FUHWJXTLSA-N	0	3	313.372	2.920	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)cc1C#N	ZINC000614205731	399175028	/nfs/dbraw/zinc/17/50/28/399175028.db2.gz	AOWJYIRNSKQHGU-SUMWQHHRSA-N	0	3	319.836	2.948	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000271719133	209154901	/nfs/dbraw/zinc/15/49/01/209154901.db2.gz	LBSJCZZNRYYXPY-INWMFGNUSA-N	0	3	318.417	2.774	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000194634449	399181498	/nfs/dbraw/zinc/18/14/98/399181498.db2.gz	KOOBHQYOLLXIIA-OAHLLOKOSA-N	0	3	307.463	2.508	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1OC	ZINC000265960452	205000634	/nfs/dbraw/zinc/00/06/34/205000634.db2.gz	IZWGTEQGCWDGCZ-OAHLLOKOSA-N	0	3	317.385	2.985	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC3(C2)CCCCC3)cc1	ZINC000266055075	205062561	/nfs/dbraw/zinc/06/25/61/205062561.db2.gz	ZVUXBTOHZLTRPY-UHFFFAOYSA-N	0	3	311.429	2.831	20	30		DFEDHN
CC(C)[C@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1	ZINC000266188658	205168634	/nfs/dbraw/zinc/16/86/34/205168634.db2.gz	XQSDYAHXPPRNEP-KRWDZBQOSA-N	0	3	320.868	2.896	20	30		DFEDHN
C=CCN1CCC(Nc2cc(N3CCC[C@H](C)C3)ncn2)CC1	ZINC000266190864	205171626	/nfs/dbraw/zinc/17/16/26/205171626.db2.gz	BXGOHFSOTQTPPB-HNNXBMFYSA-N	0	3	315.465	2.775	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@]2(CC)CO)cc(OC)c1O	ZINC000191956990	335018216	/nfs/dbraw/zinc/01/82/16/335018216.db2.gz	HDTLXQWUWSKMTR-GOSISDBHSA-N	0	3	305.418	2.866	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000266370068	205298292	/nfs/dbraw/zinc/29/82/92/205298292.db2.gz	BVQWUXUOHAIUKE-UKRRQHHQSA-N	0	3	300.406	2.813	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000266460449	205363071	/nfs/dbraw/zinc/36/30/71/205363071.db2.gz	SLYIJZNMZMCTBY-GOEBONIOSA-N	0	3	315.417	2.645	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(Cl)cc1	ZINC000283012503	217387684	/nfs/dbraw/zinc/38/76/84/217387684.db2.gz	SCHHOVMMQCLEOG-HNNXBMFYSA-N	0	3	316.792	2.572	20	30		DFEDHN
C#CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285607859	335023702	/nfs/dbraw/zinc/02/37/02/335023702.db2.gz	PXCJPNMVPOOJDP-HNNXBMFYSA-N	0	3	320.383	2.672	20	30		DFEDHN
N#Cc1cccnc1N1CCCN(CCc2ccccc2)CC1	ZINC000064633425	399229168	/nfs/dbraw/zinc/22/91/68/399229168.db2.gz	JVEIIVJWQGZPDI-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCN(C2CCOCC2)C[C@H]1C	ZINC000618766869	399232673	/nfs/dbraw/zinc/23/26/73/399232673.db2.gz	DFMKPSJFMDTDRU-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
Cc1cc(C#N)cc(N(CCN(C)C)Cc2cccs2)n1	ZINC000601129867	399235494	/nfs/dbraw/zinc/23/54/94/399235494.db2.gz	NMWZBPCYIMTARJ-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000618813380	399240800	/nfs/dbraw/zinc/24/08/00/399240800.db2.gz	UCEKTXZWHLBRMM-KRWDZBQOSA-N	0	3	314.433	2.577	20	30		DFEDHN
N#Cc1cc(N2CCC[C@H]2CN2CCCCC2)nc(C2CC2)n1	ZINC000601146774	399240811	/nfs/dbraw/zinc/24/08/11/399240811.db2.gz	BDVPWHNIBQTGIO-INIZCTEOSA-N	0	3	311.433	2.680	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN[C@H]3C[C@@H](CO)C3)c2)c1	ZINC000601139709	399239695	/nfs/dbraw/zinc/23/96/95/399239695.db2.gz	IEPUEYNRIOFMLY-KDURUIRLSA-N	0	3	322.408	2.998	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000614523096	399242383	/nfs/dbraw/zinc/24/23/83/399242383.db2.gz	FULORGMZHCNRBQ-HOTGVXAUSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@@](CO)(Cc1ccccc1F)NCc1ccc(C#N)cc1F	ZINC000601154167	399243150	/nfs/dbraw/zinc/24/31/50/399243150.db2.gz	ZCYLRJCLIXJYBQ-SFHVURJKSA-N	0	3	316.351	2.920	20	30		DFEDHN
C#CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000286302368	335034645	/nfs/dbraw/zinc/03/46/45/335034645.db2.gz	PYKPLRRAJJJNNZ-HXUWFJFHSA-N	0	3	310.441	2.915	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NC2CCN(CC)CC2)cc1	ZINC000286564153	335035857	/nfs/dbraw/zinc/03/58/57/335035857.db2.gz	FBBGBHUMQURMLL-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](Oc2ccccc2OC)C1	ZINC000286651589	335036448	/nfs/dbraw/zinc/03/64/48/335036448.db2.gz	ZJQZKPKENSXPFY-HOTGVXAUSA-N	0	3	305.418	2.866	20	30		DFEDHN
CC[C@H](NC1CCN(CC#N)CC1)c1cccc(OC)c1OC	ZINC000601267890	399267168	/nfs/dbraw/zinc/26/71/68/399267168.db2.gz	WZEOCKPGPVMFDM-INIZCTEOSA-N	0	3	317.433	2.732	20	30		DFEDHN
CC(=O)N(C[C@@H]1CCCN1Cc1ccc(C#N)cc1C)C1CC1	ZINC000614781662	399267213	/nfs/dbraw/zinc/26/72/13/399267213.db2.gz	ZVRCWNHYNYWPIK-IBGZPJMESA-N	0	3	311.429	2.842	20	30		DFEDHN
N#CCCN1CCN(C2CCC(OC3CCCC3)CC2)CC1	ZINC000601316845	399276292	/nfs/dbraw/zinc/27/62/92/399276292.db2.gz	RAUNGGNIDSMHRR-UHFFFAOYSA-N	0	3	305.466	2.788	20	30		DFEDHN
N#Cc1cccc(N2CCN([C@@H]3CCc4ccccc43)CC2)n1	ZINC000614963838	399286010	/nfs/dbraw/zinc/28/60/10/399286010.db2.gz	LNYIGZCEHJONCF-GOSISDBHSA-N	0	3	304.397	2.763	20	30		DFEDHN
COC[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1	ZINC000619060423	399286534	/nfs/dbraw/zinc/28/65/34/399286534.db2.gz	YTWJDEMQDAQSSL-DLBZAZTESA-N	0	3	302.418	2.771	20	30		DFEDHN
CCC[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000608815969	399297572	/nfs/dbraw/zinc/29/75/72/399297572.db2.gz	QCHOGIYQJBNPCO-DOTOQJQBSA-N	0	3	317.408	2.846	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601602442	399307093	/nfs/dbraw/zinc/30/70/93/399307093.db2.gz	DXMJUOGFTIREIR-HNNXBMFYSA-N	0	3	303.450	2.697	20	30		DFEDHN
CN(Cc1ccsc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619272945	399324727	/nfs/dbraw/zinc/32/47/27/399324727.db2.gz	CZYJJPVPEJKPSK-MRXNPFEDSA-N	0	3	309.394	2.961	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000609574079	399323840	/nfs/dbraw/zinc/32/38/40/399323840.db2.gz	MUVZLMYAFGTJMA-GXFFZTMASA-N	0	3	312.200	2.626	20	30		DFEDHN
C[C@@H](C#N)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1	ZINC000601706516	399325637	/nfs/dbraw/zinc/32/56/37/399325637.db2.gz	XHKFUZGIAUEVNG-GXFFZTMASA-N	0	3	313.323	2.584	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1	ZINC000619297698	399326175	/nfs/dbraw/zinc/32/61/75/399326175.db2.gz	DLKKATMETINEIP-KDOFPFPSSA-N	0	3	318.380	2.555	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCC[C@H]1O	ZINC000601717067	399327870	/nfs/dbraw/zinc/32/78/70/399327870.db2.gz	YSTAUYXIWRWMMG-GVDBMIGSSA-N	0	3	300.402	2.521	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(CC2CC2)C1	ZINC000609670498	399329756	/nfs/dbraw/zinc/32/97/56/399329756.db2.gz	NHZQEIKUKQOFST-LBPRGKRZSA-N	0	3	310.323	2.868	20	30		DFEDHN
Cc1ncc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000601764010	399332233	/nfs/dbraw/zinc/33/22/33/399332233.db2.gz	ATIBOCLZCJKTJB-ABAIWWIYSA-N	0	3	324.409	2.883	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](C(F)F)CC1	ZINC000601825681	399343986	/nfs/dbraw/zinc/34/39/86/399343986.db2.gz	RTXCNPHCFUZEQA-LSDHHAIUSA-N	0	3	322.355	2.642	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2CC#N)CCN1C	ZINC000610178136	399345529	/nfs/dbraw/zinc/34/55/29/399345529.db2.gz	QQLXHGLKPPCTHL-GOEBONIOSA-N	0	3	324.428	2.720	20	30		DFEDHN
COc1ccc(CN2CCCN(c3cccnc3C#N)CC2)cc1	ZINC000273947628	211202714	/nfs/dbraw/zinc/20/27/14/211202714.db2.gz	DRIJSEMWHMYCLV-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
CS[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1N1CCCC1	ZINC000273918181	211173995	/nfs/dbraw/zinc/17/39/95/211173995.db2.gz	BDIJUMNAAIHAAW-SJORKVTESA-N	0	3	319.449	2.709	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)[C@@H](CC(N)=O)c1ccccc1	ZINC000619515843	399355908	/nfs/dbraw/zinc/35/59/08/399355908.db2.gz	IGEPYKGSNPYVPD-SFHVURJKSA-N	0	3	307.397	2.915	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCCC[C@@H]1C)c1cccc(C#N)c1	ZINC000610335271	399357755	/nfs/dbraw/zinc/35/77/55/399357755.db2.gz	ILMQUFSUVXGCRA-LSDHHAIUSA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@H]1CN(C)CCO1	ZINC000619508548	399355061	/nfs/dbraw/zinc/35/50/61/399355061.db2.gz	KPFOKPUHGGHXGT-ZOCIIQOWSA-N	0	3	313.445	2.634	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@H](O)COc2ccccc2C#N)CC12CCC2	ZINC000601958947	399369509	/nfs/dbraw/zinc/36/95/09/399369509.db2.gz	PJOIIBDMXYAHIN-WMZOPIPTSA-N	0	3	314.429	2.808	20	30		DFEDHN
CC(C)[C@H]1N(C[C@H](O)COc2ccccc2C#N)CC12CCC2	ZINC000601958945	399369614	/nfs/dbraw/zinc/36/96/14/399369614.db2.gz	PJOIIBDMXYAHIN-FUHWJXTLSA-N	0	3	314.429	2.808	20	30		DFEDHN
Cn1ccnc1CC1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000105876681	194154146	/nfs/dbraw/zinc/15/41/46/194154146.db2.gz	CCMJVSKXGAGBLM-UHFFFAOYSA-N	0	3	324.428	2.625	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@](F)(C#N)C1	ZINC000615665294	399370431	/nfs/dbraw/zinc/37/04/31/399370431.db2.gz	YJJYSUAMHONFGO-KRWDZBQOSA-N	0	3	315.348	2.572	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285000688	218252448	/nfs/dbraw/zinc/25/24/48/218252448.db2.gz	IAXVDTNUWGWZBB-INIZCTEOSA-N	0	3	317.408	2.575	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(Cn3cccn3)CC2)c1	ZINC000105887193	194158081	/nfs/dbraw/zinc/15/80/81/194158081.db2.gz	DSHZPVHJBBDOPA-UHFFFAOYSA-N	0	3	310.401	2.546	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000601965556	399370691	/nfs/dbraw/zinc/37/06/91/399370691.db2.gz	OUSFSQYCZWUXTL-LBPRGKRZSA-N	0	3	303.189	2.626	20	30		DFEDHN
COc1cc(CNCCN2Cc3ccccc3C2)ccc1C#N	ZINC000619652542	399371592	/nfs/dbraw/zinc/37/15/92/399371592.db2.gz	CMDBVLROOGMSFN-UHFFFAOYSA-N	0	3	307.397	2.672	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)Cc1ccc(C#N)cc1	ZINC000610577979	399382713	/nfs/dbraw/zinc/38/27/13/399382713.db2.gz	JFNNVKPOLJRBJJ-MSOLQXFVSA-N	0	3	311.429	2.576	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C)[C@@H](C)C(=O)OCC)cc1OC	ZINC000273760843	211034210	/nfs/dbraw/zinc/03/42/10/211034210.db2.gz	PXWZJTPLIMWZRC-KGLIPLIRSA-N	0	3	321.417	2.937	20	30		DFEDHN
N#CCSCCCN[C@@H](Cn1cccn1)c1ccccc1	ZINC000610582650	399382990	/nfs/dbraw/zinc/38/29/90/399382990.db2.gz	HYZBTODUFCNMBT-INIZCTEOSA-N	0	3	300.431	2.861	20	30		DFEDHN
COC(C)(C)CCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000615795538	399384185	/nfs/dbraw/zinc/38/41/85/399384185.db2.gz	NFQCYHJCVQHALB-KRWDZBQOSA-N	0	3	319.424	2.823	20	30		DFEDHN
N#Cc1c(F)cccc1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1	ZINC000602022191	399385756	/nfs/dbraw/zinc/38/57/56/399385756.db2.gz	YEAYMFGLMZKTJD-SUMWQHHRSA-N	0	3	314.364	2.678	20	30		DFEDHN
CCc1ncc(CNCCSCc2ccccc2C#N)cn1	ZINC000414272728	269680879	/nfs/dbraw/zinc/68/08/79/269680879.db2.gz	YITOHRZUEFKDAM-UHFFFAOYSA-N	0	3	312.442	2.934	20	30		DFEDHN
N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000619784563	399391679	/nfs/dbraw/zinc/39/16/79/399391679.db2.gz	AOENGRRWTZHNBB-YOEHRIQHSA-N	0	3	319.836	2.559	20	30		DFEDHN
CCN1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1	ZINC000610676410	399392012	/nfs/dbraw/zinc/39/20/12/399392012.db2.gz	KBFSOSIBROXYTH-JSGCOSHPSA-N	0	3	317.437	2.576	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000610690386	399393993	/nfs/dbraw/zinc/39/39/93/399393993.db2.gz	HXCFDOKTNJFSMS-ZBFHGGJFSA-N	0	3	324.428	2.623	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC2(CO)CCC2)cc1OC	ZINC000623453879	399394193	/nfs/dbraw/zinc/39/41/93/399394193.db2.gz	IZSBQQOWWAAWHD-UHFFFAOYSA-N	0	3	311.809	2.918	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(F)c(C#N)c1)CC1CC1	ZINC000610719292	399397627	/nfs/dbraw/zinc/39/76/27/399397627.db2.gz	SXODRTOCVPRDDP-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610720699	399397288	/nfs/dbraw/zinc/39/72/88/399397288.db2.gz	ATOVDRWYQWVULW-YOEHRIQHSA-N	0	3	314.433	2.793	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000610722074	399398323	/nfs/dbraw/zinc/39/83/23/399398323.db2.gz	BEZLZSCNRWVLCZ-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000610722075	399397949	/nfs/dbraw/zinc/39/79/49/399397949.db2.gz	BEZLZSCNRWVLCZ-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000421068457	269690060	/nfs/dbraw/zinc/69/00/60/269690060.db2.gz	ODNIJSYVNHYUDM-LBPRGKRZSA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccc(C#N)c1	ZINC000610830380	399410723	/nfs/dbraw/zinc/41/07/23/399410723.db2.gz	OVALQDGAECMRQB-UONOGXRCSA-N	0	3	318.384	2.946	20	30		DFEDHN
CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCN1C	ZINC000602209664	399409524	/nfs/dbraw/zinc/40/95/24/399409524.db2.gz	QIVPEUDULZDHSA-ZWKOTPCHSA-N	0	3	313.445	2.558	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)c1C	ZINC000610905966	399417152	/nfs/dbraw/zinc/41/71/52/399417152.db2.gz	BBJZHVFQVZPQKQ-HNNXBMFYSA-N	0	3	300.406	2.863	20	30		DFEDHN
CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000602304370	399421447	/nfs/dbraw/zinc/42/14/47/399421447.db2.gz	XNBURQZMYYFHOE-APWZRJJASA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@@H]1COCCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000610990651	399424882	/nfs/dbraw/zinc/42/48/82/399424882.db2.gz	FTTCUCRQNXEOMX-GFCCVEGCSA-N	0	3	321.808	2.651	20	30		DFEDHN
N#Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)ccn1	ZINC000610991944	399426056	/nfs/dbraw/zinc/42/60/56/399426056.db2.gz	XFQOVGXNBUFOMY-CALCHBBNSA-N	0	3	304.397	2.521	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(CCCOCC(F)(F)F)CC1	ZINC000602453846	399448618	/nfs/dbraw/zinc/44/86/18/399448618.db2.gz	KGADPKGKJGIKBA-CQSZACIVSA-N	0	3	321.387	2.513	20	30		DFEDHN
CN(C)[C@H](CNCc1cccc(C#N)n1)c1ccccc1Cl	ZINC000602499240	399461197	/nfs/dbraw/zinc/46/11/97/399461197.db2.gz	QAXPMTUWIYQPAE-QGZVFWFLSA-N	0	3	314.820	2.999	20	30		DFEDHN
COc1ccc(OCCN[C@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602515405	399465575	/nfs/dbraw/zinc/46/55/75/399465575.db2.gz	XJSZZRDUWPAWET-OAHLLOKOSA-N	0	3	318.417	2.763	20	30		DFEDHN
COc1ccc(CCCNCc2cccc(C#N)n2)cc1OC	ZINC000602530693	399468896	/nfs/dbraw/zinc/46/88/96/399468896.db2.gz	PRXJZSQJXKBFKW-UHFFFAOYSA-N	0	3	311.385	2.693	20	30		DFEDHN
N#C[C@@]1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCNC1	ZINC000602526475	399467690	/nfs/dbraw/zinc/46/76/90/399467690.db2.gz	XGJRKZWLLAKYOP-KRWDZBQOSA-N	0	3	317.820	2.582	20	30		DFEDHN
COc1cccc(CN(CC(C)C)C(=O)[C@@H](N)CCCC#N)c1	ZINC000602532520	399469387	/nfs/dbraw/zinc/46/93/87/399469387.db2.gz	VIAYWBHWVFQRNR-KRWDZBQOSA-N	0	3	317.433	2.701	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC[C@H]1CCOC1	ZINC000611392817	399469613	/nfs/dbraw/zinc/46/96/13/399469613.db2.gz	NIPIIHWFQJTGBX-YJBOKZPZSA-N	0	3	300.402	2.578	20	30		DFEDHN
CCCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCCC#N	ZINC000602544369	399471540	/nfs/dbraw/zinc/47/15/40/399471540.db2.gz	AIAPJAXKCUWRGU-KRWDZBQOSA-N	0	3	317.433	2.845	20	30		DFEDHN
C[C@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000602556891	399474597	/nfs/dbraw/zinc/47/45/97/399474597.db2.gz	XFGMLHBWTROMAL-IUODEOHRSA-N	0	3	305.809	2.975	20	30		DFEDHN
CC(C)[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)N1CCCC1	ZINC000611465987	399479026	/nfs/dbraw/zinc/47/90/26/399479026.db2.gz	CEUKYLJVCYZNBX-GUYCJALGSA-N	0	3	317.408	2.995	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)C[C@@H](N)c1ccccc1)C2	ZINC000602578283	399481557	/nfs/dbraw/zinc/48/15/57/399481557.db2.gz	WZHYUWFUFCRVCL-LJQANCHMSA-N	0	3	319.408	2.727	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)C[C@H](N)c1ccccc1)C2	ZINC000602578282	399481705	/nfs/dbraw/zinc/48/17/05/399481705.db2.gz	WZHYUWFUFCRVCL-IBGZPJMESA-N	0	3	319.408	2.727	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2nc(C3CCCCC3)cs2)CCNC1	ZINC000602578273	399480985	/nfs/dbraw/zinc/48/09/85/399480985.db2.gz	MNVGMYVGGJXZST-HNNXBMFYSA-N	0	3	304.419	2.633	20	30		DFEDHN
CC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000602583882	399483105	/nfs/dbraw/zinc/48/31/05/399483105.db2.gz	VCPFTOINCGYJTQ-NVXWUHKLSA-N	0	3	305.397	2.978	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCCN(c3ccccc3F)C2)n1	ZINC000602582928	399483298	/nfs/dbraw/zinc/48/32/98/399483298.db2.gz	YUBLATKYSIXHIO-MRXNPFEDSA-N	0	3	310.376	2.851	20	30		DFEDHN
CSCCc1ccccc1NC(=O)[C@H](N)CCCCC#N	ZINC000602587294	399484679	/nfs/dbraw/zinc/48/46/79/399484679.db2.gz	QMBVPZSRMRONNA-CQSZACIVSA-N	0	3	305.447	2.942	20	30		DFEDHN
Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@H](N)CCCC#N)c1	ZINC000602600744	399487419	/nfs/dbraw/zinc/48/74/19/399487419.db2.gz	JADAZMRVKNNSCD-MJGOQNOKSA-N	0	3	313.445	2.940	20	30		DFEDHN
CNC(=O)c1ccc([C@@H]2CCCCN2C[C@@H](C)CCC#N)n1C	ZINC000602623484	399493330	/nfs/dbraw/zinc/49/33/30/399493330.db2.gz	GYNQYJUCANCCQE-HOCLYGCPSA-N	0	3	316.449	2.852	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](OC(F)F)C1	ZINC000611576461	399495682	/nfs/dbraw/zinc/49/56/82/399495682.db2.gz	AUJIHDZJMXWUKJ-CYBMUJFWSA-N	0	3	323.343	2.590	20	30		DFEDHN
C[C@H](NC(=O)c1cc2ccccc2n1CC#N)C1=CCN(C)CC1	ZINC000611583567	399496918	/nfs/dbraw/zinc/49/69/18/399496918.db2.gz	RDDHJEVYADVZSB-AWEZNQCLSA-N	0	3	322.412	2.545	20	30		DFEDHN
CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)[C@H](C)C1	ZINC000611587816	399497852	/nfs/dbraw/zinc/49/78/52/399497852.db2.gz	SXAXKDIHAZDDJP-PEBVRCNWSA-N	0	3	303.381	2.605	20	30		DFEDHN
N#Cc1cccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)n1	ZINC000602626950	399494832	/nfs/dbraw/zinc/49/48/32/399494832.db2.gz	BWDUXIKJTUNLAT-BXUZGUMPSA-N	0	3	313.323	2.526	20	30		DFEDHN
CC[C@H](C)[C@H](CN1CCC(C#N)(c2ccccn2)CC1)OC	ZINC000602651631	399502859	/nfs/dbraw/zinc/50/28/59/399502859.db2.gz	KBIJRAZHCQFXLG-HOTGVXAUSA-N	0	3	301.434	3.000	20	30		DFEDHN
CN1C(=O)C[C@H](NCc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000120038517	195085529	/nfs/dbraw/zinc/08/55/29/195085529.db2.gz	IDOZHOFZKWPRKN-HKUYNNGSSA-N	0	3	323.371	2.759	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1ccccc1	ZINC000287793274	335048339	/nfs/dbraw/zinc/04/83/39/335048339.db2.gz	BKPVUYKMDAEFQC-RDJZCZTQSA-N	0	3	301.434	2.681	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000193413188	335048388	/nfs/dbraw/zinc/04/83/88/335048388.db2.gz	YUJBVUKTDXLEOG-KBXCAEBGSA-N	0	3	312.413	2.937	20	30		DFEDHN
C[C@]1(NCc2cccc(C#N)n2)CCN(Cc2ccccc2)C1	ZINC000602712891	399533885	/nfs/dbraw/zinc/53/38/85/399533885.db2.gz	PTENYQKSAMRWDZ-IBGZPJMESA-N	0	3	306.413	2.707	20	30		DFEDHN
C=CCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1	ZINC000602710377	399532520	/nfs/dbraw/zinc/53/25/20/399532520.db2.gz	UEUMHPMHQNIKSZ-UHFFFAOYSA-N	0	3	317.345	2.951	20	30		DFEDHN
COc1ccc(C[C@H](C)CN2CCN(CCC#N)CC2)cc1F	ZINC000602748719	399554648	/nfs/dbraw/zinc/55/46/48/399554648.db2.gz	QZRBXAYMWWQUBK-HNNXBMFYSA-N	0	3	319.424	2.544	20	30		DFEDHN
C[C@H]1COc2ccccc2CN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000272910366	210297911	/nfs/dbraw/zinc/29/79/11/210297911.db2.gz	HJPUGNMSEJTNQV-KBXCAEBGSA-N	0	3	308.381	2.875	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000287940251	335050378	/nfs/dbraw/zinc/05/03/78/335050378.db2.gz	KJWWLSRSWHHQPS-QGZVFWFLSA-N	0	3	319.449	2.904	20	30		DFEDHN
C=C(CC)CNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417692838	335050987	/nfs/dbraw/zinc/05/09/87/335050987.db2.gz	YRVFAMBGGDZPFU-UHFFFAOYSA-N	0	3	321.421	2.723	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1Cl	ZINC000193691843	335052058	/nfs/dbraw/zinc/05/20/58/335052058.db2.gz	CPGDSGJETIQCMF-XHDPSFHLSA-N	0	3	308.809	2.519	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000629322518	399571387	/nfs/dbraw/zinc/57/13/87/399571387.db2.gz	MOGICNQOBJQMNE-VVLHAWIVSA-N	0	3	308.466	2.689	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)N3CCc4ccccc43)CC2)CC1	ZINC000602790104	399574463	/nfs/dbraw/zinc/57/44/63/399574463.db2.gz	AQXKYLNSLMUIOF-UHFFFAOYSA-N	0	3	323.440	2.982	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1nn(C)cc1Cl)C(C)C	ZINC000625558017	399586258	/nfs/dbraw/zinc/58/62/58/399586258.db2.gz	SCBFHFURJZDMEN-AWEZNQCLSA-N	0	3	324.856	2.502	20	30		DFEDHN
CO[C@@]1(C)C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156603205	197126815	/nfs/dbraw/zinc/12/68/15/197126815.db2.gz	GZTVGJXVYZWIQU-BQFCYCMXSA-N	0	3	302.418	2.727	20	30		DFEDHN
N#CCC1(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)CC1	ZINC000602844407	399598435	/nfs/dbraw/zinc/59/84/35/399598435.db2.gz	OWACJVNRBONHDH-KRWDZBQOSA-N	0	3	314.429	2.800	20	30		DFEDHN
Cc1cc(C)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1	ZINC000602842972	399599281	/nfs/dbraw/zinc/59/92/81/399599281.db2.gz	WQOABWYGVUBHMT-QGZVFWFLSA-N	0	3	322.412	2.927	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N1CCC(N2CC=CC2)CC1	ZINC000156148151	197090015	/nfs/dbraw/zinc/09/00/15/197090015.db2.gz	DPOAEKHBXNNGCT-UHFFFAOYSA-N	0	3	314.364	2.565	20	30		DFEDHN
Cc1ccccc1OCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602858366	399606289	/nfs/dbraw/zinc/60/62/89/399606289.db2.gz	RMIMNULSDJZMRE-IAGOWNOFSA-N	0	3	301.434	2.682	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2ccc(COCC)cc2)C1	ZINC000625700868	399616970	/nfs/dbraw/zinc/61/69/70/399616970.db2.gz	MQCNYSRWEYBKNW-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
CCC(CC)(CNCc1ccc(OC)c(C#N)c1)C(=O)OC	ZINC000120856466	195251349	/nfs/dbraw/zinc/25/13/49/195251349.db2.gz	KRYITVJONBOECB-UHFFFAOYSA-N	0	3	304.390	2.636	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2COc3ccccc3[C@@H]2O)c1	ZINC000288585731	335056953	/nfs/dbraw/zinc/05/69/53/335056953.db2.gz	ODEKGTPLFHINAW-HKUYNNGSSA-N	0	3	311.381	2.836	20	30		DFEDHN
C=CCCOCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000620927983	399633366	/nfs/dbraw/zinc/63/33/66/399633366.db2.gz	BRQKPJRKLYAQET-UHFFFAOYSA-N	0	3	324.852	2.823	20	30		DFEDHN
Cc1cnn([C@H]2CCN(CCCOc3cccc(C#N)c3)C2)c1	ZINC000289883483	221290196	/nfs/dbraw/zinc/29/01/96/221290196.db2.gz	MLYQFFUVGBMCOV-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
C#C[C@@H](NCc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(C)C	ZINC000289335154	335057953	/nfs/dbraw/zinc/05/79/53/335057953.db2.gz	HEHYBCUEZMSRPT-OAHLLOKOSA-N	0	3	311.385	2.595	20	30		DFEDHN
CCOC1CC2(C1)CCN(Cc1ccc(C#N)c(OC)c1)C2	ZINC000289907076	221308464	/nfs/dbraw/zinc/30/84/64/221308464.db2.gz	WZAGFAKQPSKKNP-UHFFFAOYSA-N	0	3	300.402	2.958	20	30		DFEDHN
COC(=O)c1cc(C2CCN(CCCC(C)(C)C#N)CC2)no1	ZINC000603000647	399655524	/nfs/dbraw/zinc/65/55/24/399655524.db2.gz	IWQGRQPZCJTTDR-UHFFFAOYSA-N	0	3	319.405	2.971	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCC2)CC1	ZINC000602999949	399656253	/nfs/dbraw/zinc/65/62/53/399656253.db2.gz	QASSYQUJECYQCS-GOEBONIOSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccco1	ZINC000603043673	399664502	/nfs/dbraw/zinc/66/45/02/399664502.db2.gz	NDPFQOSQZRMMRQ-UONOGXRCSA-N	0	3	315.417	2.909	20	30		DFEDHN
C[C@H](CN(C)CC(=O)NCc1cccc(C#N)c1)C(C)(C)C	ZINC000603055107	399666971	/nfs/dbraw/zinc/66/69/71/399666971.db2.gz	MKBAUZBIABUOSV-CQSZACIVSA-N	0	3	301.434	2.788	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1	ZINC000625897501	399678978	/nfs/dbraw/zinc/67/89/78/399678978.db2.gz	FXEPGJGIQIGZAE-CYBMUJFWSA-N	0	3	301.390	2.599	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)Nc2ccnc(C#N)c2)N(C)C)cc1	ZINC000603138535	399692194	/nfs/dbraw/zinc/69/21/94/399692194.db2.gz	KDCIWCJHYDRWHC-KRWDZBQOSA-N	0	3	323.400	2.686	20	30		DFEDHN
N#CCCCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145193	399694956	/nfs/dbraw/zinc/69/49/56/399694956.db2.gz	NPNBUXLXBGZBMT-ZIAGYGMSSA-N	0	3	300.324	2.804	20	30		DFEDHN
C=CCN1CCC(Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000603290208	399733575	/nfs/dbraw/zinc/73/35/75/399733575.db2.gz	IUIIJNFLTYNTNF-UHFFFAOYSA-N	0	3	307.401	2.806	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1C[C@@H](O)C1	ZINC000626045887	399733922	/nfs/dbraw/zinc/73/39/22/399733922.db2.gz	GHYGLHOKQFGIBB-OKILXGFUSA-N	0	3	313.319	2.639	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2cc(C#N)c(Br)cn2)CCN1C	ZINC000603296971	399735385	/nfs/dbraw/zinc/73/53/85/399735385.db2.gz	MXUJNVPTAGWECW-JQWIXIFHSA-N	0	3	323.238	2.635	20	30		DFEDHN
Cn1ccnc1CC1CCN(Cc2cc(C#N)cs2)CC1	ZINC000121801830	195350359	/nfs/dbraw/zinc/35/03/59/195350359.db2.gz	RQQDAVCFAJIBQJ-UHFFFAOYSA-N	0	3	300.431	2.808	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)OC1CCOCC1)C(C)C	ZINC000289360933	335062901	/nfs/dbraw/zinc/06/29/01/335062901.db2.gz	ACGJGCDYJUMOGG-MRXNPFEDSA-N	0	3	310.438	2.590	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2cnc(C#N)cn2)CC1	ZINC000124856256	195686802	/nfs/dbraw/zinc/68/68/02/195686802.db2.gz	JNNDYNKXSDZWLT-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3cccc(C#N)n3)CC2)cc1	ZINC000265500544	129062528	/nfs/dbraw/zinc/06/25/28/129062528.db2.gz	HYHAQBUQYBMVDT-UHFFFAOYSA-N	0	3	317.396	2.537	20	30		DFEDHN
Cc1ccnc(N(C)CCCN(C)Cc2ccncc2)c1C#N	ZINC000603402380	399766502	/nfs/dbraw/zinc/76/65/02/399766502.db2.gz	QWDDHUFXBJZYDJ-UHFFFAOYSA-N	0	3	309.417	2.615	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000613145084	399803371	/nfs/dbraw/zinc/80/33/71/399803371.db2.gz	UVWUHRDTWCKXPX-KBPBESRZSA-N	0	3	316.405	2.571	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]12	ZINC000603847283	399808231	/nfs/dbraw/zinc/80/82/31/399808231.db2.gz	NSGXZMVBBBZYFR-GFOCRRMGSA-N	0	3	303.450	2.695	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@@H]12	ZINC000603847284	399808401	/nfs/dbraw/zinc/80/84/01/399808401.db2.gz	NSGXZMVBBBZYFR-GRZALLJUSA-N	0	3	303.450	2.695	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000617914352	399830515	/nfs/dbraw/zinc/83/05/15/399830515.db2.gz	UPDMFWWCPOTXAK-IRXDYDNUSA-N	0	3	322.412	2.888	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ccc1OC	ZINC000272492138	542967896	/nfs/dbraw/zinc/96/78/96/542967896.db2.gz	DXSCWEYPZONLLL-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCC2([S@@](C)=O)CCC2)cc1	ZINC000281021035	542990827	/nfs/dbraw/zinc/99/08/27/542990827.db2.gz	MHTVKLVYECCTLQ-LHSJRXKWSA-N	0	3	305.443	2.650	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21	ZINC000293026479	543019097	/nfs/dbraw/zinc/01/90/97/543019097.db2.gz	KZBYKYKLUTUYKH-IRXDYDNUSA-N	0	3	311.429	2.685	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000309842900	543066223	/nfs/dbraw/zinc/06/62/23/543066223.db2.gz	WWORETJLMJNGGO-OAHLLOKOSA-N	0	3	301.434	2.953	20	30		DFEDHN
N#Cc1cc(N[C@H](CN2CCCCC2)c2ccccc2)ncn1	ZINC000617955629	399847916	/nfs/dbraw/zinc/84/79/16/399847916.db2.gz	RSBKNQIBSRWNAC-QGZVFWFLSA-N	0	3	307.401	2.987	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC2(CC1)OCCc1ccsc12	ZINC000352763972	543232302	/nfs/dbraw/zinc/23/23/02/543232302.db2.gz	SYDHFDZHCJMWLL-HNNXBMFYSA-N	0	3	307.459	2.939	20	30		DFEDHN
N#CCCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000404180479	543313972	/nfs/dbraw/zinc/31/39/72/543313972.db2.gz	JCUXJVAFIYCACG-RTBURBONSA-N	0	3	313.445	2.656	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)[C@@H]2CCCCO2)CC1	ZINC000630943013	399951260	/nfs/dbraw/zinc/95/12/60/399951260.db2.gz	NPHQBILVSHBVGD-INIZCTEOSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cc3c(cc2OCCOC)OCO3)C1	ZINC000628405067	400030532	/nfs/dbraw/zinc/03/05/32/400030532.db2.gz	CFHCRCZTDOFKDU-AWEZNQCLSA-N	0	3	319.401	2.839	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC[C@@H](C)C1	ZINC000246001961	146113445	/nfs/dbraw/zinc/11/34/45/146113445.db2.gz	FUAUQENVUQSPOM-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN(C)C(C)C	ZINC000354499782	147060140	/nfs/dbraw/zinc/06/01/40/147060140.db2.gz	RUINJGFPWUKCDS-UHFFFAOYSA-N	0	3	301.434	2.883	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccnc(C#N)c2)C1	ZINC000355048177	147219714	/nfs/dbraw/zinc/21/97/14/147219714.db2.gz	YFPCXWLRLTXAIH-YOEHRIQHSA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCC(C)(C)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000576759832	543454025	/nfs/dbraw/zinc/45/40/25/543454025.db2.gz	DBPYCNAVSPSLJK-UHFFFAOYSA-N	0	3	303.450	2.964	20	30		DFEDHN
C[C@H](NCCCOC1CCOCC1)c1ccc(C#N)cc1F	ZINC000358573167	148389649	/nfs/dbraw/zinc/38/96/49/148389649.db2.gz	QXFPCYYLCJODRA-ZDUSSCGKSA-N	0	3	306.381	2.934	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360612930	148888045	/nfs/dbraw/zinc/88/80/45/148888045.db2.gz	RIJGINAEWVXYQS-INIZCTEOSA-N	0	3	313.445	2.996	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(CCC)C1	ZINC000660635596	543528712	/nfs/dbraw/zinc/52/87/12/543528712.db2.gz	ZQNDPQQCKVSRLY-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cncc(F)c1	ZINC000361133973	149036197	/nfs/dbraw/zinc/03/61/97/149036197.db2.gz	ATDRETSAGZIIRR-LBPRGKRZSA-N	0	3	312.348	2.772	20	30		DFEDHN
CCN(CCN1CCCOCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000361294872	149077138	/nfs/dbraw/zinc/07/71/38/149077138.db2.gz	BFQBRVCFVFAXBS-INIZCTEOSA-N	0	3	301.434	2.663	20	30		DFEDHN
Cc1cc(CN(C)[C@H](CC(N)=O)c2ccccc2)ccc1C#N	ZINC000361467545	149122980	/nfs/dbraw/zinc/12/29/80/149122980.db2.gz	CQYILFWMAMABHR-GOSISDBHSA-N	0	3	307.397	2.915	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1cnccc1C#N)c1ccccc1	ZINC000362746338	149356928	/nfs/dbraw/zinc/35/69/28/149356928.db2.gz	HFSKLJCUQQMESK-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
N#Cc1cccc(OCCN(CCCO)Cc2ccccc2)c1	ZINC000362961334	149407956	/nfs/dbraw/zinc/40/79/56/149407956.db2.gz	VXRLATBBAPZOMM-UHFFFAOYSA-N	0	3	310.397	2.822	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC([C@@H]3CCOC3)CC2)c1	ZINC000369948919	149860704	/nfs/dbraw/zinc/86/07/04/149860704.db2.gz	SEVIQCUNZNGODR-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
Cc1ccnc(N(C)C2CCN(c3ccncc3)CC2)c1C#N	ZINC000371697074	150082681	/nfs/dbraw/zinc/08/26/81/150082681.db2.gz	SGMWQKDSQRICPS-UHFFFAOYSA-N	0	3	307.401	2.762	20	30		DFEDHN
C[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)s1	ZINC000372515311	150177758	/nfs/dbraw/zinc/17/77/58/150177758.db2.gz	VANIKPBGGZVMNS-MELADBBJSA-N	0	3	305.447	2.524	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)cc1	ZINC000373036395	150218693	/nfs/dbraw/zinc/21/86/93/150218693.db2.gz	LYMSHHKOVAWYIK-GOSISDBHSA-N	0	3	311.429	2.972	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1C#N	ZINC000373104257	150231285	/nfs/dbraw/zinc/23/12/85/150231285.db2.gz	NCFQIYGALAIBOV-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1ccc(OCCN[C@H]2c3ccccc3CC[C@@H]2CO)cc1	ZINC000373815218	150261333	/nfs/dbraw/zinc/26/13/33/150261333.db2.gz	MOLAJMIFNVTXJB-YLJYHZDGSA-N	0	3	322.408	2.823	20	30		DFEDHN
COc1cc(CN[C@@H]2c3ccccc3CC[C@H]2CO)ccc1C#N	ZINC000374147632	150312600	/nfs/dbraw/zinc/31/26/00/150312600.db2.gz	IXZQXBGIZPAIEE-PXNSSMCTSA-N	0	3	322.408	2.952	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000265961410	286411208	/nfs/dbraw/zinc/41/12/08/286411208.db2.gz	JDCQMFJFRANDKC-JCGIZDLHSA-N	0	3	314.429	2.871	20	30		DFEDHN
C[C@@H](CC(=O)OC(C)(C)C)NCCOc1ccc(C#N)cc1	ZINC000183905815	158024698	/nfs/dbraw/zinc/02/46/98/158024698.db2.gz	IXKDQFRUMPNHOY-ZDUSSCGKSA-N	0	3	304.390	2.647	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H]1COc2ccccc21	ZINC000185606982	158064872	/nfs/dbraw/zinc/06/48/72/158064872.db2.gz	ZUFRTJNKKHJCAI-DYVFJYSZSA-N	0	3	321.380	2.651	20	30		DFEDHN
CCN(CCC1CC1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000355066718	158265044	/nfs/dbraw/zinc/26/50/44/158265044.db2.gz	VIZOIYVJOPEYRT-AWEZNQCLSA-N	0	3	303.431	2.847	20	30		DFEDHN
COc1ccccc1/C=C/CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373463862	158741283	/nfs/dbraw/zinc/74/12/83/158741283.db2.gz	BOHLYVRCYRNHKI-GQCTYLIASA-N	0	3	323.400	2.509	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1conc1C1CC1)C(C)C	ZINC000290217915	335070169	/nfs/dbraw/zinc/07/01/69/335070169.db2.gz	WAAJFNJNLVEVNX-MRXNPFEDSA-N	0	3	317.433	2.980	20	30		DFEDHN
CCc1nnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C#N)c1CC	ZINC000129082639	196017551	/nfs/dbraw/zinc/01/75/51/196017551.db2.gz	ZYVRCBOQHLIUKB-BLLLJJGKSA-N	0	3	301.438	2.614	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(CC(=O)NC)CC2)c1	ZINC000129600268	196060497	/nfs/dbraw/zinc/06/04/97/196060497.db2.gz	UWWUWPPPOVICKE-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
CN(C)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000054002623	425889149	/nfs/dbraw/zinc/88/91/49/425889149.db2.gz	JUHMRLUNRITVBS-KRWDZBQOSA-N	0	3	308.385	2.983	20	30		DFEDHN
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1ccc(C#N)cc1	ZINC000134243049	196373565	/nfs/dbraw/zinc/37/35/65/196373565.db2.gz	BGAANCHKLMKSRN-WNYOCNMUSA-N	0	3	322.408	2.916	20	30		DFEDHN
CC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000134500553	196397091	/nfs/dbraw/zinc/39/70/91/196397091.db2.gz	WOTQHUOASNJFJW-UXHICEINSA-N	0	3	324.424	2.865	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000295573868	225001550	/nfs/dbraw/zinc/00/15/50/225001550.db2.gz	RLKGFBIFZMPUEV-LBPRGKRZSA-N	0	3	317.393	2.784	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)c2nc(C)cs2)CC1	ZINC000668370203	543798890	/nfs/dbraw/zinc/79/88/90/543798890.db2.gz	QBFSKUQQGHYPFS-ZDUSSCGKSA-N	0	3	307.463	2.712	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000668732363	543855799	/nfs/dbraw/zinc/85/57/99/543855799.db2.gz	QTWAXZUWSKOEQP-QGZVFWFLSA-N	0	3	316.445	2.988	20	30		DFEDHN
O=C1C[C@@H]([C@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CN1	ZINC000671448818	544074198	/nfs/dbraw/zinc/07/41/98/544074198.db2.gz	HPLZNVKPECWIKD-JKSUJKDBSA-N	0	3	316.832	2.540	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N(CCN(C)C)Cc1ccc(C)o1	ZINC000290626987	335073964	/nfs/dbraw/zinc/07/39/64/335073964.db2.gz	XNXMHZCPHHNXKZ-UHFFFAOYSA-N	0	3	324.424	2.702	20	30		DFEDHN
FC(F)(F)c1ccc(C#CCN2CC[C@@H](c3nc[nH]n3)C2)cc1	ZINC000425549151	335074735	/nfs/dbraw/zinc/07/47/35/335074735.db2.gz	NSBCQKMNAJOHKL-CYBMUJFWSA-N	0	3	320.318	2.665	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000672464042	544138538	/nfs/dbraw/zinc/13/85/38/544138538.db2.gz	FONPBZSRGJVVED-USXIJHARSA-N	0	3	301.434	2.943	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CN(CC)C[C@@H]1C	ZINC000674789146	544259200	/nfs/dbraw/zinc/25/92/00/544259200.db2.gz	BWUOTISKBUNBRT-FUHWJXTLSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCCOC[C@@H]1C)C(C)C	ZINC000676540794	544384862	/nfs/dbraw/zinc/38/48/62/544384862.db2.gz	LQCOCEBHOINJEQ-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@H]2CCCCN2C[C@H]1CC)OCC	ZINC000677314055	544469476	/nfs/dbraw/zinc/46/94/76/544469476.db2.gz	ZUIHKMHEYSNQCC-ZACQAIPSSA-N	0	3	308.466	2.833	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]3CCCC[C@H]32)cc1	ZINC000299348140	229064351	/nfs/dbraw/zinc/06/43/51/229064351.db2.gz	BPWIRVOYVMNNRJ-ZWKOTPCHSA-N	0	3	311.429	2.829	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCN(c2ccncc2)CC1	ZINC000678860380	544738458	/nfs/dbraw/zinc/73/84/58/544738458.db2.gz	LSJQQZUDPVLKDZ-OAHLLOKOSA-N	0	3	302.422	2.658	20	30		DFEDHN
CN(C)[C@@H](CNc1ccc(C#N)nn1)c1ccc(Cl)cc1	ZINC000301956713	230003683	/nfs/dbraw/zinc/00/36/83/230003683.db2.gz	FUGUQIQWEUAZOM-AWEZNQCLSA-N	0	3	301.781	2.716	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1ncncc1Cl	ZINC000302643555	230329340	/nfs/dbraw/zinc/32/93/40/230329340.db2.gz	LTSQABYSWAQKRJ-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
COc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)N(C)C)cc1	ZINC000302701397	230359909	/nfs/dbraw/zinc/35/99/09/230359909.db2.gz	IKRUWIBUEOXQJH-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N(C)CC12CC3CC(CC(C3)C1)C2	ZINC000057979157	425897471	/nfs/dbraw/zinc/89/74/71/425897471.db2.gz	NDLHTTHPDHLRSA-ISOUWHGUSA-N	0	3	317.477	2.895	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)Nc1cccc2c1CN(CCCC)C2	ZINC000066967391	425907680	/nfs/dbraw/zinc/90/76/80/425907680.db2.gz	OXYYOOURKUJTCN-CQSZACIVSA-N	0	3	301.434	2.905	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1	ZINC000067163355	425908916	/nfs/dbraw/zinc/90/89/16/425908916.db2.gz	KWLZAXTVLQBKRP-CGTJXYLNSA-N	0	3	304.478	2.909	20	30		DFEDHN
Cc1cc(N2CC[C@H](N3CCCCC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413130776	269915276	/nfs/dbraw/zinc/91/52/76/269915276.db2.gz	HGLCQYHLDNLYOW-HNNXBMFYSA-N	0	3	314.389	2.840	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN(CCCCC#N)CC1	ZINC000102398098	425920160	/nfs/dbraw/zinc/92/01/60/425920160.db2.gz	LACDJAIMPHBNGL-UHFFFAOYSA-N	0	3	300.402	2.887	20	30		DFEDHN
CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000068845431	425922726	/nfs/dbraw/zinc/92/27/26/425922726.db2.gz	PBSYKLGFLBGZTI-QGZVFWFLSA-N	0	3	314.360	2.569	20	30		DFEDHN
CC#CCCN(Cc1ccccc1)[C@@H](C)CN1CCOCC1	ZINC000155629467	425923093	/nfs/dbraw/zinc/92/30/93/425923093.db2.gz	LHZOOAKHQSFBQO-SFHVURJKSA-N	0	3	300.446	2.623	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N3CCC[C@@H](N4CCCC4)C3)CC2)c1	ZINC000435028091	269970992	/nfs/dbraw/zinc/97/09/92/269970992.db2.gz	OTCKXPHIQDSGAO-GOSISDBHSA-N	0	3	323.440	2.677	20	30		DFEDHN
CCC[C@@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420608726	270000686	/nfs/dbraw/zinc/00/06/86/270000686.db2.gz	IXWURSNFJYGNNA-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
CN(C)CCOC1CCN(c2cccc(Cl)c2C#N)CC1	ZINC000450333028	270001144	/nfs/dbraw/zinc/00/11/44/270001144.db2.gz	WFEULNBZCGMFKT-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C#N)n1C)N(C)C	ZINC000451272880	270001449	/nfs/dbraw/zinc/00/14/49/270001449.db2.gz	VIHGMFLOOKBHHX-RDTXWAMCSA-N	0	3	324.428	2.626	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)c(F)c1	ZINC000533309544	270002579	/nfs/dbraw/zinc/00/25/79/270002579.db2.gz	FXRRMURHUQAATG-AWEZNQCLSA-N	0	3	314.339	2.600	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccccc1	ZINC000534020536	270002788	/nfs/dbraw/zinc/00/27/88/270002788.db2.gz	PMQLLBJMALFKKS-UYAOXDASSA-N	0	3	319.408	2.662	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000156177582	425933828	/nfs/dbraw/zinc/93/38/28/425933828.db2.gz	GNFRKTWIUHCEGU-QGZVFWFLSA-N	0	3	317.433	2.707	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000352655564	266027958	/nfs/dbraw/zinc/02/79/58/266027958.db2.gz	JFHTVOKMHBUSSX-AWEZNQCLSA-N	0	3	302.422	2.650	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)c(C)n1	ZINC000338422494	266032966	/nfs/dbraw/zinc/03/29/66/266032966.db2.gz	AUSSZLOPVSKKGC-INIZCTEOSA-N	0	3	314.433	2.646	20	30		DFEDHN
CCN(CCNCc1cc(C#N)cs1)C(=O)OC(C)(C)C	ZINC000177694819	266124584	/nfs/dbraw/zinc/12/45/84/266124584.db2.gz	XPIQWXPUFCDWHY-UHFFFAOYSA-N	0	3	309.435	2.966	20	30		DFEDHN
CCN1CCC[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)C1	ZINC000341602727	266144125	/nfs/dbraw/zinc/14/41/25/266144125.db2.gz	XQBFMKFTTXTWPG-GFCCVEGCSA-N	0	3	303.797	2.756	20	30		DFEDHN
CCN1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1	ZINC000347138200	266149952	/nfs/dbraw/zinc/14/99/52/266149952.db2.gz	RPONNNVDYCICMV-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N1CCN(C)CC[C@@H]1C	ZINC000340383579	266332904	/nfs/dbraw/zinc/33/29/04/266332904.db2.gz	JZKMDBIZSBJUQY-ZDUSSCGKSA-N	0	3	316.405	2.515	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CCN(C2CCC2)C1	ZINC000344685023	267044063	/nfs/dbraw/zinc/04/40/63/267044063.db2.gz	BIMICKJQWPAHKT-LBPRGKRZSA-N	0	3	303.431	2.566	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCC1(F)F	ZINC000352026279	267048177	/nfs/dbraw/zinc/04/81/77/267048177.db2.gz	FLBQBRQHOPGIMR-GFCCVEGCSA-N	0	3	307.344	2.864	20	30		DFEDHN
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNCc2nc(C#N)cs2)C1	ZINC000352837971	267076353	/nfs/dbraw/zinc/07/63/53/267076353.db2.gz	CPVQVQYQQYBXGU-CHWSQXEVSA-N	0	3	306.479	2.861	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C	ZINC000353332923	267079025	/nfs/dbraw/zinc/07/90/25/267079025.db2.gz	RBZKMWCMFYSTIR-WBMJQRKESA-N	0	3	317.408	2.574	20	30		DFEDHN
C[C@@H]1C[C@H](C)CN(C(C)(C)CNCc2nc(C#N)cs2)C1	ZINC000352837970	267086627	/nfs/dbraw/zinc/08/66/27/267086627.db2.gz	CPVQVQYQQYBXGU-BETUJISGSA-N	0	3	306.479	2.861	20	30		DFEDHN
CCO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C	ZINC000451525517	267147704	/nfs/dbraw/zinc/14/77/04/267147704.db2.gz	MTQDVFJZLOPFSJ-TZMCWYRMSA-N	0	3	321.446	2.695	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)[C@]12CCCO2	ZINC000453386034	267150404	/nfs/dbraw/zinc/15/04/04/267150404.db2.gz	OQWFGDLNHFSIQR-BRWVUGGUSA-N	0	3	304.365	2.514	20	30		DFEDHN
C[C@H](CC[S@@](C)=O)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352844339	267153760	/nfs/dbraw/zinc/15/37/60/267153760.db2.gz	XLPDALZZEFHDJK-LADRHHBVSA-N	0	3	318.364	2.824	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC[C@@H](C)C1	ZINC000353519729	267158842	/nfs/dbraw/zinc/15/88/42/267158842.db2.gz	GJJUCGAKXFZHPB-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000345196293	267206656	/nfs/dbraw/zinc/20/66/56/267206656.db2.gz	KGIUJNBIAAFTJN-CRAIPNDOSA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000342565418	267214808	/nfs/dbraw/zinc/21/48/08/267214808.db2.gz	GQRBVHUTXNDUHD-YJBOKZPZSA-N	0	3	313.445	2.885	20	30		DFEDHN
CC[C@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1	ZINC000517554033	267223585	/nfs/dbraw/zinc/22/35/85/267223585.db2.gz	ASUIKCMEPOTILQ-KSZLIROESA-N	0	3	310.401	2.863	20	30		DFEDHN
C[C@H]1CN(C(=O)c2sccc2C#N)CCN(C2CCC2)C1	ZINC000344716580	267228055	/nfs/dbraw/zinc/22/80/55/267228055.db2.gz	SZXDGBBEHDMPIV-GFCCVEGCSA-N	0	3	303.431	2.566	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1	ZINC000338171738	267277052	/nfs/dbraw/zinc/27/70/52/267277052.db2.gz	CALSWPRURMQEOT-OALUTQOASA-N	0	3	319.408	2.694	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000331199928	267279135	/nfs/dbraw/zinc/27/91/35/267279135.db2.gz	WFFZYGRVBMJVCP-INIZCTEOSA-N	0	3	318.446	2.630	20	30		DFEDHN
CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@]1(CO)CCOC1	ZINC000411508800	267311394	/nfs/dbraw/zinc/31/13/94/267311394.db2.gz	SRFFZKJCMIMNOP-HXUWFJFHSA-N	0	3	322.408	2.808	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000435257808	267339892	/nfs/dbraw/zinc/33/98/92/267339892.db2.gz	OGUAZZOUDZBPFT-FUHWJXTLSA-N	0	3	323.440	2.533	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccccc2C#N)C[C@H]1c1ccccc1	ZINC000449759596	267390929	/nfs/dbraw/zinc/39/09/29/267390929.db2.gz	YUYPWLJFVNTYBE-OALUTQOASA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000030532777	267394714	/nfs/dbraw/zinc/39/47/14/267394714.db2.gz	AXLFJPIICRELMA-DYVFJYSZSA-N	0	3	314.360	2.788	20	30		DFEDHN
COc1ccccc1N1CC[C@H](NCc2ccc(C#N)cc2)C1	ZINC000154404870	267518533	/nfs/dbraw/zinc/51/85/33/267518533.db2.gz	QYWYCGCRYLPKEX-KRWDZBQOSA-N	0	3	307.397	2.935	20	30		DFEDHN
Cc1ccoc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000292671749	267523399	/nfs/dbraw/zinc/52/33/99/267523399.db2.gz	ZMBRFWRVTAWDFE-INIZCTEOSA-N	0	3	307.353	2.801	20	30		DFEDHN
Cc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348205111	267630605	/nfs/dbraw/zinc/63/06/05/267630605.db2.gz	IRURBZNFFZZNJS-ABAIWWIYSA-N	0	3	324.409	2.883	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1	ZINC000027150663	425815209	/nfs/dbraw/zinc/81/52/09/425815209.db2.gz	HOTIDWGNFGHPMS-LJQANCHMSA-N	0	3	321.424	2.910	20	30		DFEDHN
N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000046440554	425865029	/nfs/dbraw/zinc/86/50/29/425865029.db2.gz	UFVGBQRZJHXDJQ-LBPRGKRZSA-N	0	3	306.281	2.961	20	30		DFEDHN
C[C@@H](NC[C@H](O)COCc1ccccc1)c1ccc(C#N)cc1	ZINC000030532613	425831520	/nfs/dbraw/zinc/83/15/20/425831520.db2.gz	DVBQWVHCSQQACT-BEFAXECRSA-N	0	3	310.397	2.787	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)n1	ZINC000041519056	425852078	/nfs/dbraw/zinc/85/20/78/425852078.db2.gz	HSGQTLIAHSQMFF-CYBMUJFWSA-N	0	3	309.354	2.522	20	30		DFEDHN
COC(=O)[C@@](C)(CNCc1cc(C#N)cs1)c1ccccc1	ZINC000191579433	268006563	/nfs/dbraw/zinc/00/65/63/268006563.db2.gz	WESZERSPEFWCND-KRWDZBQOSA-N	0	3	314.410	2.840	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)c1ccnc(C#N)c1	ZINC000192846921	268050756	/nfs/dbraw/zinc/05/07/56/268050756.db2.gz	RZCRKKBFHKUAID-UHFFFAOYSA-N	0	3	314.433	2.537	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000341200837	268059842	/nfs/dbraw/zinc/05/98/42/268059842.db2.gz	YCCZLVVQXVXXNV-SFHVURJKSA-N	0	3	311.429	2.578	20	30		DFEDHN
N#Cc1ccc(CNCCOc2ccc3c(c2)OCO3)c(F)c1	ZINC000343344659	268073684	/nfs/dbraw/zinc/07/36/84/268073684.db2.gz	PKWNWHLLAFMVFT-UHFFFAOYSA-N	0	3	314.316	2.595	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)c(F)c1	ZINC000346837250	268076508	/nfs/dbraw/zinc/07/65/08/268076508.db2.gz	XFMANXONLXGCQI-INIZCTEOSA-N	0	3	302.324	2.530	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCCC3)C2)cc1	ZINC000366822113	268084092	/nfs/dbraw/zinc/08/40/92/268084092.db2.gz	FWHBDXWROSOLIU-KRWDZBQOSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccccc3CO2)cc1	ZINC000377145592	268085764	/nfs/dbraw/zinc/08/57/64/268085764.db2.gz	AYRFKUYVZHJABP-SFHVURJKSA-N	0	3	317.348	2.715	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2(C3CC3)CCC2)cc1	ZINC000280234510	268085855	/nfs/dbraw/zinc/08/58/55/268085855.db2.gz	WGXIAEWDZXCRDC-INIZCTEOSA-N	0	3	307.397	2.937	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CC[C@H](C4CC4)C3)C2=O)cc1	ZINC000352778601	268113637	/nfs/dbraw/zinc/11/36/37/268113637.db2.gz	LDGCRWJIVCVOIT-WMZOPIPTSA-N	0	3	309.413	2.786	20	30		DFEDHN
N#Cc1c(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cn2ccccc12	ZINC000451696420	268158887	/nfs/dbraw/zinc/15/88/87/268158887.db2.gz	AXBMANGSZPGAND-BFYDXBDKSA-N	0	3	309.413	2.794	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000529716259	268161933	/nfs/dbraw/zinc/16/19/33/268161933.db2.gz	AEKVXLXSZQIPBU-AWEZNQCLSA-N	0	3	315.392	2.834	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000529716262	268162040	/nfs/dbraw/zinc/16/20/40/268162040.db2.gz	AEKVXLXSZQIPBU-CQSZACIVSA-N	0	3	315.392	2.834	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)ccc1Cl	ZINC000530025149	268177755	/nfs/dbraw/zinc/17/77/55/268177755.db2.gz	ZIGBBCYFUFHKKP-OAHLLOKOSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1Cl	ZINC000530028368	268201425	/nfs/dbraw/zinc/20/14/25/268201425.db2.gz	OPLHBZRPBIPRRM-OAHLLOKOSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1	ZINC000433350085	268230467	/nfs/dbraw/zinc/23/04/67/268230467.db2.gz	AZYDIMKIHQMLCD-GOSISDBHSA-N	0	3	303.365	2.947	20	30		DFEDHN
N#Cc1cc2c(nc1N1CC[C@H](N3CCCCC3)C1)CCCC2	ZINC000270926666	268236805	/nfs/dbraw/zinc/23/68/05/268236805.db2.gz	HCWHDYRSSBLPLX-KRWDZBQOSA-N	0	3	310.445	2.897	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC3(CCC3)[C@H]3COC[C@@H]32)c1	ZINC000459673904	268283498	/nfs/dbraw/zinc/28/34/98/268283498.db2.gz	MDHIGVFLBFZGOQ-ROUUACIJSA-N	0	3	312.413	2.828	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCN2C2CCCC2)c1	ZINC000530023019	268289107	/nfs/dbraw/zinc/28/91/07/268289107.db2.gz	QYVXWSUYLHDUQD-GBESFXJTSA-N	0	3	323.440	2.795	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCc2occc21	ZINC000530230219	268303736	/nfs/dbraw/zinc/30/37/36/268303736.db2.gz	FTFMXGABBWRDRP-GDBMZVCRSA-N	0	3	312.369	2.558	20	30		DFEDHN
N#Cc1cscc1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000529715288	268320508	/nfs/dbraw/zinc/32/05/08/268320508.db2.gz	CVCPQWMRTRYONI-AWEZNQCLSA-N	0	3	303.431	2.757	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@@H](C2CC2)C2CCC2)c1	ZINC000325052956	268350704	/nfs/dbraw/zinc/35/07/04/268350704.db2.gz	UJJQSIJZYPEVOF-QGZVFWFLSA-N	0	3	318.442	2.500	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000332699809	268362690	/nfs/dbraw/zinc/36/26/90/268362690.db2.gz	VWWVEOPOTRECGG-QGZVFWFLSA-N	0	3	312.417	2.959	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C(C)(C)C)ccc2O)CC1	ZINC000050026398	425881034	/nfs/dbraw/zinc/88/10/34/425881034.db2.gz	URTWAQOPIOFUOC-UHFFFAOYSA-N	0	3	314.429	2.973	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000157618627	425938943	/nfs/dbraw/zinc/93/89/43/425938943.db2.gz	IGFXCEPCLZECOW-SJLPKXTDSA-N	0	3	316.445	2.748	20	30		DFEDHN
COc1ccc([C@H](O)CNC2CC(C#N)(c3ccccc3)C2)cc1	ZINC000125711882	425987252	/nfs/dbraw/zinc/98/72/52/425987252.db2.gz	DFTXTVFQDARVCP-SKINQDTJSA-N	0	3	322.408	2.942	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000107635509	425997260	/nfs/dbraw/zinc/99/72/60/425997260.db2.gz	HCXJZNJYGSNXCV-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](C(=O)NCCC)C2)c1	ZINC000125958493	425998994	/nfs/dbraw/zinc/99/89/94/425998994.db2.gz	CJPXOECJOQFPLS-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCn2cccn2)cc1OC	ZINC000125291179	425963499	/nfs/dbraw/zinc/96/34/99/425963499.db2.gz	WQPYYPQANCNHMZ-UHFFFAOYSA-N	0	3	301.390	2.589	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OC(C)C)nc2)CC1	ZINC000106036374	425970162	/nfs/dbraw/zinc/97/01/62/425970162.db2.gz	FPXDMYMTSYSOJP-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1	ZINC000106037155	425970204	/nfs/dbraw/zinc/97/02/04/425970204.db2.gz	POAQVJZAWWJUSV-UHFFFAOYSA-N	0	3	315.373	2.705	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2csc(C3CC3)n2)CC1	ZINC000106035737	425970436	/nfs/dbraw/zinc/97/04/36/425970436.db2.gz	WRCZBIQKAJNGQX-UHFFFAOYSA-N	0	3	305.447	2.791	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2cccc(F)c2)CC1	ZINC000106036881	425970968	/nfs/dbraw/zinc/97/09/68/425970968.db2.gz	RMHSUVMUFCRMKE-AWEZNQCLSA-N	0	3	320.408	2.750	20	30		DFEDHN
Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)n1	ZINC000109078014	426028072	/nfs/dbraw/zinc/02/80/72/426028072.db2.gz	QKPOJQDUFGWMKG-INIZCTEOSA-N	0	3	322.412	2.726	20	30		DFEDHN
C=CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1OC	ZINC000126700690	426033083	/nfs/dbraw/zinc/03/30/83/426033083.db2.gz	NPSCYQBUGSJCMA-XYPWUTKMSA-N	0	3	303.402	2.748	20	30		DFEDHN
C=CCC[C@@H](O)CN(CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000126782688	426035828	/nfs/dbraw/zinc/03/58/28/426035828.db2.gz	DIKMDENCHYAQPK-QGZVFWFLSA-N	0	3	304.434	2.537	20	30		DFEDHN
CC(C)(C)OC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000127564763	426072416	/nfs/dbraw/zinc/07/24/16/426072416.db2.gz	DIVHQAKQSAJXOC-KRWDZBQOSA-N	0	3	302.418	2.871	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1	ZINC000126378971	426017074	/nfs/dbraw/zinc/01/70/74/426017074.db2.gz	CNCAOMXQNJERJH-CABCVRRESA-N	0	3	301.434	2.628	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H](c2ccccc2)C(C)C)CC1	ZINC000108707415	426020599	/nfs/dbraw/zinc/02/05/99/426020599.db2.gz	QUYKNYIBVJZGEA-IBGZPJMESA-N	0	3	312.457	2.888	20	30		DFEDHN
CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000072837565	426020539	/nfs/dbraw/zinc/02/05/39/426020539.db2.gz	LALHOVVXEXPVBI-ZNMIVQPWSA-N	0	3	311.495	2.601	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21	ZINC000164096350	426111391	/nfs/dbraw/zinc/11/13/91/426111391.db2.gz	XUYDGEIGAMCQDU-NVXWUHKLSA-N	0	3	314.429	2.808	20	30		DFEDHN
C=CCC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000128424309	426116849	/nfs/dbraw/zinc/11/68/49/426116849.db2.gz	GRWHPCAHBOQZQL-IRXDYDNUSA-N	0	3	305.418	2.700	20	30		DFEDHN
C=CCC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000128424309	426116851	/nfs/dbraw/zinc/11/68/51/426116851.db2.gz	GRWHPCAHBOQZQL-IRXDYDNUSA-N	0	3	305.418	2.700	20	30		DFEDHN
C=CC[C@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000164688308	426117365	/nfs/dbraw/zinc/11/73/65/426117365.db2.gz	LZMBEGASEGQHEA-HNNXBMFYSA-N	0	3	316.445	2.585	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000128581762	426123277	/nfs/dbraw/zinc/12/32/77/426123277.db2.gz	QWNDAQDDXFRKEM-QGZVFWFLSA-N	0	3	312.417	2.755	20	30		DFEDHN
CCOC[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000113936237	426124567	/nfs/dbraw/zinc/12/45/67/426124567.db2.gz	SIILSCXBKBSMFX-CYBMUJFWSA-N	0	3	321.446	2.697	20	30		DFEDHN
CCc1cc(N2CCC[C@H](NCc3cccc(C#N)c3)C2)ncn1	ZINC000112505652	426080726	/nfs/dbraw/zinc/08/07/26/426080726.db2.gz	NZDVJSMRHJPKRP-SFHVURJKSA-N	0	3	321.428	2.669	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1	ZINC000075838782	426086719	/nfs/dbraw/zinc/08/67/19/426086719.db2.gz	IKENXUXKMKNEFU-RHSMWYFYSA-N	0	3	301.434	2.580	20	30		DFEDHN
Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000129690757	426140313	/nfs/dbraw/zinc/14/03/13/426140313.db2.gz	FYRPYPVNXBNKFZ-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
Cc1ccc([O-])c(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000129690757	426140315	/nfs/dbraw/zinc/14/03/15/426140315.db2.gz	FYRPYPVNXBNKFZ-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)[C@H](C)C1	ZINC000129758149	426140606	/nfs/dbraw/zinc/14/06/06/426140606.db2.gz	ANPFPALKRWUERM-AEFFLSMTSA-N	0	3	313.445	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2cc(C)cc(C)c2)CC1	ZINC000077582126	426140821	/nfs/dbraw/zinc/14/08/21/426140821.db2.gz	HJAVFKFMQHHGDI-UHFFFAOYSA-N	0	3	315.461	2.796	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000114644088	426140988	/nfs/dbraw/zinc/14/09/88/426140988.db2.gz	BTGPXFZBIRSCMW-WMZOPIPTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@H]1CCN(CCC(=O)N(C)CCC#N)[C@H](c2ccco2)C1	ZINC000131743999	426166432	/nfs/dbraw/zinc/16/64/32/426166432.db2.gz	OFRLVYPWBJCGMS-GJZGRUSLSA-N	0	3	303.406	2.815	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)CSCC#N)CC1	ZINC000116067091	426177722	/nfs/dbraw/zinc/17/77/22/426177722.db2.gz	DSGWHLWSAGRQIH-AWEZNQCLSA-N	0	3	317.458	2.585	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2cccc(OC)c2)CC1	ZINC000171568192	426195482	/nfs/dbraw/zinc/19/54/82/426195482.db2.gz	KPDYHTMDAHHKFW-UHFFFAOYSA-N	0	3	320.458	2.554	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(-n3cccn3)c2)CC1	ZINC000116754189	426196379	/nfs/dbraw/zinc/19/63/79/426196379.db2.gz	GPWCXBYIOKNYGW-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000171907774	426218644	/nfs/dbraw/zinc/21/86/44/426218644.db2.gz	AVLYCRDYJFIXGR-SJLPKXTDSA-N	0	3	313.445	2.740	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)[C@@H]1CCCc2c1cnn2C	ZINC000135558163	426222802	/nfs/dbraw/zinc/22/28/02/426222802.db2.gz	DVVJMYJNDUHWBN-QGZVFWFLSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](N2C[C@@H]3CCCC[C@@H]3C2)C1=O	ZINC000083243486	426229951	/nfs/dbraw/zinc/22/99/51/426229951.db2.gz	NNXGJPISPPCEQZ-QLFBSQMISA-N	0	3	315.442	2.847	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000118393397	426234124	/nfs/dbraw/zinc/23/41/24/426234124.db2.gz	PPMNEHYQGKNEDG-KSSFIOAISA-N	0	3	311.429	2.857	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1CCC(=O)Nc1sccc1C#N	ZINC000118413315	426235131	/nfs/dbraw/zinc/23/51/31/426235131.db2.gz	OGELAZULBGRDMG-MNOVXSKESA-N	0	3	309.460	2.774	20	30		DFEDHN
COC[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000136633081	426243614	/nfs/dbraw/zinc/24/36/14/426243614.db2.gz	HJCHVOLAVULUND-BMIGLBTASA-N	0	3	321.808	2.553	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)cc1F)CC1CC1	ZINC000144477762	426258748	/nfs/dbraw/zinc/25/87/48/426258748.db2.gz	PCCHOPOVEMOTBU-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCO[C@@H](C)CC(C)C)CC1	ZINC000087318120	426270293	/nfs/dbraw/zinc/27/02/93/426270293.db2.gz	SQGXDSDITAPBNZ-INIZCTEOSA-N	0	3	310.482	2.984	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(C)cnc2OC)CC1	ZINC000174966728	426270865	/nfs/dbraw/zinc/27/08/65/426270865.db2.gz	XNLFSKKFFLMCMF-UHFFFAOYSA-N	0	3	318.421	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)c2ccc(F)cc2)CC1	ZINC000171714950	426206872	/nfs/dbraw/zinc/20/68/72/426206872.db2.gz	IYZBYDRHOKDSHH-UHFFFAOYSA-N	0	3	304.409	2.870	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1	ZINC000171726975	426207746	/nfs/dbraw/zinc/20/77/46/426207746.db2.gz	RHDSXXXTNRCPMO-IRXDYDNUSA-N	0	3	317.408	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nnc(CC(C)C)s2)CC1	ZINC000171737130	426207803	/nfs/dbraw/zinc/20/78/03/426207803.db2.gz	LZPRRLWILNIZIP-UHFFFAOYSA-N	0	3	323.466	2.509	20	30		DFEDHN
COCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000171796512	426212903	/nfs/dbraw/zinc/21/29/03/426212903.db2.gz	VFDZCJWMFMWRQU-AWEZNQCLSA-N	0	3	316.382	2.967	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1	ZINC000121192814	426322857	/nfs/dbraw/zinc/32/28/57/426322857.db2.gz	YGBCJASUVFJXTF-YOEHRIQHSA-N	0	3	302.418	2.664	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCSC1	ZINC000121191524	426323292	/nfs/dbraw/zinc/32/32/92/426323292.db2.gz	CEWDDSLVPGXPBL-CVEARBPZSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000090883625	426333845	/nfs/dbraw/zinc/33/38/45/426333845.db2.gz	SPONHLKYOARIGS-CQSZACIVSA-N	0	3	304.390	2.887	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1ccc(N2CCOC2=O)cc1	ZINC000090883624	426333860	/nfs/dbraw/zinc/33/38/60/426333860.db2.gz	SPONHLKYOARIGS-AWEZNQCLSA-N	0	3	304.390	2.887	20	30		DFEDHN
C=CCC(CC=C)C(=O)NC1CCN(CCOC(C)C)CC1	ZINC000151207757	426284553	/nfs/dbraw/zinc/28/45/53/426284553.db2.gz	VPVGEOKVAOVODQ-UHFFFAOYSA-N	0	3	308.466	2.760	20	30		DFEDHN
Cn1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000122814674	426396350	/nfs/dbraw/zinc/39/63/50/426396350.db2.gz	VSMVQXVZXINIFZ-UHFFFAOYSA-N	0	3	308.429	2.605	20	30		DFEDHN
C#CCSCCNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000152957724	426363049	/nfs/dbraw/zinc/36/30/49/426363049.db2.gz	AIMWQDJUOWPOEE-UHFFFAOYSA-N	0	3	324.453	2.920	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)CC(C)(C)OC)CC1	ZINC000176498250	426387597	/nfs/dbraw/zinc/38/75/97/426387597.db2.gz	PBLQGGVUUSJEAP-CQSZACIVSA-N	0	3	311.470	2.530	20	30		DFEDHN
N#Cc1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)cn1	ZINC000122999914	426407358	/nfs/dbraw/zinc/40/73/58/426407358.db2.gz	WESZOZJUHRZLHF-CYBMUJFWSA-N	0	3	313.430	2.734	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)CSc2ccc(C#N)cc2)CCN1C	ZINC000123209701	426420216	/nfs/dbraw/zinc/42/02/16/426420216.db2.gz	UKJGZGADQLZLDT-HIFRSBDPSA-N	0	3	317.458	2.591	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000154439484	426439872	/nfs/dbraw/zinc/43/98/72/426439872.db2.gz	WMMYHOFVBSVLTO-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
Cc1nc(C)c(CCNCc2cnc3ccc(C#N)cn23)s1	ZINC000123695575	426449359	/nfs/dbraw/zinc/44/93/59/426449359.db2.gz	BMQNLZVNTSUPAN-UHFFFAOYSA-N	0	3	311.414	2.612	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000123776207	426452740	/nfs/dbraw/zinc/45/27/40/426452740.db2.gz	IUHAQEPUKWIQBX-INIZCTEOSA-N	0	3	324.428	2.625	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(C#N)cs2)C1	ZINC000177699938	426507397	/nfs/dbraw/zinc/50/73/97/426507397.db2.gz	XRWHZBHRUZGRQU-LBPRGKRZSA-N	0	3	307.419	2.719	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000186344797	426508822	/nfs/dbraw/zinc/50/88/22/426508822.db2.gz	WVDBXEKXDNVZNK-HZPDHXFCSA-N	0	3	321.465	2.512	20	30		DFEDHN
Cc1nsc(NCc2ccccc2OCCN(C)C)c1C#N	ZINC000288137721	426512314	/nfs/dbraw/zinc/51/23/14/426512314.db2.gz	NBANCIGXSYRBKR-UHFFFAOYSA-N	0	3	316.430	2.876	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2ccccc2C#N)CC1	ZINC000186360961	426512650	/nfs/dbraw/zinc/51/26/50/426512650.db2.gz	CAGAGUUBAXNDRQ-ZDUSSCGKSA-N	0	3	301.390	2.515	20	30		DFEDHN
CC(C)N1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000264196296	426514521	/nfs/dbraw/zinc/51/45/21/426514521.db2.gz	RGJBVNSCCMJGFN-UHFFFAOYSA-N	0	3	317.458	2.593	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2cccc(C)c2)CC1	ZINC000264321685	426536914	/nfs/dbraw/zinc/53/69/14/426536914.db2.gz	AKZZXXZYJWBJPK-UHFFFAOYSA-N	0	3	301.434	2.787	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H](C)CN1CCCCC1	ZINC000272513541	426543778	/nfs/dbraw/zinc/54/37/78/426543778.db2.gz	XXTOKHXLEBDYDM-INIZCTEOSA-N	0	3	319.449	2.894	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@@H](COc3ccccc3)C2)cc1	ZINC000272541399	426554048	/nfs/dbraw/zinc/55/40/48/426554048.db2.gz	JPTROYXOFHQSCR-YLJYHZDGSA-N	0	3	322.408	2.993	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1CC	ZINC000186208049	426494611	/nfs/dbraw/zinc/49/46/11/426494611.db2.gz	ZZEGVEAFJPNAHG-IBGZPJMESA-N	0	3	315.461	2.799	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1	ZINC000178094822	426570607	/nfs/dbraw/zinc/57/06/07/426570607.db2.gz	QULHFJXXYACGCK-KBPBESRZSA-N	0	3	302.418	2.652	20	30		DFEDHN
C[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccc(C#N)cc1	ZINC000272723931	426571082	/nfs/dbraw/zinc/57/10/82/426571082.db2.gz	JOJJFMQBNXCMLM-ZIAGYGMSSA-N	0	3	312.417	2.569	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CC[C@@H](N2CC=CC2)C1	ZINC000272853449	426574549	/nfs/dbraw/zinc/57/45/49/426574549.db2.gz	PDJLYAMEUFMXDE-CQSZACIVSA-N	0	3	318.218	2.771	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186688741	426578337	/nfs/dbraw/zinc/57/83/37/426578337.db2.gz	SDJBUIGXPJSEGT-UHFFFAOYSA-N	0	3	323.440	2.747	20	30		DFEDHN
COc1ccc(CN(C)[C@H](CC(N)=O)c2ccccc2)cc1C#N	ZINC000280603459	426613315	/nfs/dbraw/zinc/61/33/15/426613315.db2.gz	VIXVQTZWRZLAFJ-QGZVFWFLSA-N	0	3	323.396	2.615	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	ZINC000264497961	426563279	/nfs/dbraw/zinc/56/32/79/426563279.db2.gz	PNURQLKPDSKQGY-AWEZNQCLSA-N	0	3	320.408	2.750	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCC1(F)F	ZINC000289379658	426640179	/nfs/dbraw/zinc/64/01/79/426640179.db2.gz	CEMKKTTYYBKSEX-LBPRGKRZSA-N	0	3	307.344	2.864	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c(F)cc(C#N)cc1F	ZINC000273320049	426642582	/nfs/dbraw/zinc/64/25/82/426642582.db2.gz	WLYFIIKIKAQXDE-LLVKDONJSA-N	0	3	321.371	2.639	20	30		DFEDHN
CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1	ZINC000289398970	426647437	/nfs/dbraw/zinc/64/74/37/426647437.db2.gz	GFHRGNDYCVRHAZ-UHFFFAOYSA-N	0	3	314.408	2.600	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1C	ZINC000280840287	426666804	/nfs/dbraw/zinc/66/68/04/426666804.db2.gz	PAVIHTYWVUSRME-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1	ZINC000280838885	426667668	/nfs/dbraw/zinc/66/76/68/426667668.db2.gz	XESDGCZFOSZSFN-GFCCVEGCSA-N	0	3	303.406	2.700	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000289678892	426671543	/nfs/dbraw/zinc/67/15/43/426671543.db2.gz	GTWGCFICUTWCRM-KVSKMBFKSA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000265723065	426679630	/nfs/dbraw/zinc/67/96/30/426679630.db2.gz	ZXLZETGQVGSBQA-ITDFMYJTSA-N	0	3	312.200	2.792	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1	ZINC000280639063	426622611	/nfs/dbraw/zinc/62/26/11/426622611.db2.gz	MXHIVLDNGUNJTO-NVXWUHKLSA-N	0	3	317.433	2.851	20	30		DFEDHN
COc1ccc(CN[C@H]2CCCOC2)cc1OCCCC#N	ZINC000237179650	426689670	/nfs/dbraw/zinc/68/96/70/426689670.db2.gz	SFTWEXQMNZEXJM-HNNXBMFYSA-N	0	3	304.390	2.646	20	30		DFEDHN
C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)c(F)c1	ZINC000290167802	426709173	/nfs/dbraw/zinc/70/91/73/426709173.db2.gz	DPYFFFUBCOPILM-PBQZTSCYSA-N	0	3	312.344	2.843	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2cccc(N3CCCC3)c2)C1=O	ZINC000280974887	426698477	/nfs/dbraw/zinc/69/84/77/426698477.db2.gz	HZMRRLFLMCVUBO-QAPCUYQASA-N	0	3	313.445	2.724	20	30		DFEDHN
C=CCN1CC[C@H](SCCN(C)Cc2ccccc2)C1=O	ZINC000281050108	426700280	/nfs/dbraw/zinc/70/02/80/426700280.db2.gz	SGDPCUCXWSDSNE-INIZCTEOSA-N	0	3	304.459	2.639	20	30		DFEDHN
COc1cc(CNC[C@H](O)CCc2ccccc2)ccc1C#N	ZINC000281798953	426768765	/nfs/dbraw/zinc/76/87/65/426768765.db2.gz	VDLDEQMPHWLMAR-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000188651415	426772725	/nfs/dbraw/zinc/77/27/25/426772725.db2.gz	PDTWKBGHGRIHHP-YQVWRLOYSA-N	0	3	316.445	2.777	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1	ZINC000245860186	426776423	/nfs/dbraw/zinc/77/64/23/426776423.db2.gz	HTWLYKNWFOQBJP-CRAIPNDOSA-N	0	3	301.434	2.566	20	30		DFEDHN
CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290492940	426776551	/nfs/dbraw/zinc/77/65/51/426776551.db2.gz	IDRLHBBBRFSBDY-VWYCJHECSA-N	0	3	309.797	2.552	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)cccc2OC)CC1	ZINC000266822609	426784325	/nfs/dbraw/zinc/78/43/25/426784325.db2.gz	IVPVBDKFSDOEGV-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@@H](CSc3ccccc3)C2)C1=O	ZINC000281893932	426786029	/nfs/dbraw/zinc/78/60/29/426786029.db2.gz	FBGOARLPZYJYGM-NVXWUHKLSA-N	0	3	316.470	2.888	20	30		DFEDHN
COc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000281687359	426744907	/nfs/dbraw/zinc/74/49/07/426744907.db2.gz	MVBGHJVAUYSTPW-LJQANCHMSA-N	0	3	321.424	2.931	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1	ZINC000246196544	426809433	/nfs/dbraw/zinc/80/94/33/426809433.db2.gz	LPIXDHRISDUCOD-XYPHTWIQSA-N	0	3	318.442	2.684	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)C1=O	ZINC000282011619	426812567	/nfs/dbraw/zinc/81/25/67/426812567.db2.gz	ONQJGPRTLIRSLZ-LXZKKBNFSA-N	0	3	302.393	2.790	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(OCC#N)c1	ZINC000267099561	426823730	/nfs/dbraw/zinc/82/37/30/426823730.db2.gz	SXBQYAMFRHWQQN-HNNXBMFYSA-N	0	3	316.405	2.537	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnc(C#N)cn1	ZINC000274726480	426826113	/nfs/dbraw/zinc/82/61/13/426826113.db2.gz	YYZJGDXCWNPOFU-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=C(C)[C@H](N[C@@H]1CCN(CCOC)C1)c1ccc(F)c(F)c1	ZINC000274730413	426826143	/nfs/dbraw/zinc/82/61/43/426826143.db2.gz	BYIIXIOSSDUTLV-PBHICJAKSA-N	0	3	310.388	2.892	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCc2ccccc2C1	ZINC000246461310	426834824	/nfs/dbraw/zinc/83/48/24/426834824.db2.gz	YVVDFZOJDYOBFW-HKUYNNGSSA-N	0	3	313.445	2.530	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1	ZINC000246491063	426838822	/nfs/dbraw/zinc/83/88/22/426838822.db2.gz	ANPFPALKRWUERM-WMZOPIPTSA-N	0	3	313.445	2.874	20	30		DFEDHN
C=C(C)CCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000274816056	426841876	/nfs/dbraw/zinc/84/18/76/426841876.db2.gz	WOTISKZKPGZRJH-AWEZNQCLSA-N	0	3	300.324	2.962	20	30		DFEDHN
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1	ZINC000246049875	426793478	/nfs/dbraw/zinc/79/34/78/426793478.db2.gz	ATLZXKZTKHUWKL-VXGBXAGGSA-N	0	3	321.371	2.687	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C	ZINC000246822809	426869262	/nfs/dbraw/zinc/86/92/62/426869262.db2.gz	SQUKOISGBLRPKS-FMKPAKJESA-N	0	3	317.408	2.764	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1CCOC1	ZINC000246894457	426876983	/nfs/dbraw/zinc/87/69/83/426876983.db2.gz	FJIISCQSUHYYLN-HUUCEWRRSA-N	0	3	322.474	2.620	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267698755	426884835	/nfs/dbraw/zinc/88/48/35/426884835.db2.gz	RJZXPBQXLKDCPD-JQWIXIFHSA-N	0	3	312.339	2.748	20	30		DFEDHN
C[C@@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1	ZINC000247022687	426891626	/nfs/dbraw/zinc/89/16/26/426891626.db2.gz	HLZHQCIKMOYHNJ-JKSUJKDBSA-N	0	3	321.428	2.662	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000275699602	426898494	/nfs/dbraw/zinc/89/84/94/426898494.db2.gz	QHWOVAREQFPGEA-SJLPKXTDSA-N	0	3	304.434	2.634	20	30		DFEDHN
N#Cc1cccc(OCCN2CCc3ccccc3[C@@H]2CO)c1	ZINC000268091779	426911707	/nfs/dbraw/zinc/91/17/07/426911707.db2.gz	JBIIQGUOMXOVSH-IBGZPJMESA-N	0	3	308.381	2.529	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1CN(C)C	ZINC000275764809	426913115	/nfs/dbraw/zinc/91/31/15/426913115.db2.gz	VEZFKHVELKAUQF-SFHVURJKSA-N	0	3	304.434	2.593	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc(SCC#N)c2)C1	ZINC000247527953	426947576	/nfs/dbraw/zinc/94/75/76/426947576.db2.gz	ZNXNFFHKBYKNKT-CZUORRHYSA-N	0	3	317.458	2.761	20	30		DFEDHN
C[C@H](NCc1cccnc1-n1ccnc1)c1cccc(C#N)c1	ZINC000181475674	426951625	/nfs/dbraw/zinc/95/16/25/426951625.db2.gz	PMOBTUJVJVGRKH-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000295366107	426926759	/nfs/dbraw/zinc/92/67/59/426926759.db2.gz	GCHXZZBNQWKCMA-AWEZNQCLSA-N	0	3	303.406	2.700	20	30		DFEDHN
C=CCCOCCN[C@H](CCn1cncn1)c1ccc(C)cc1	ZINC000275857016	426932944	/nfs/dbraw/zinc/93/29/44/426932944.db2.gz	MAAVXFIHRMVKMI-GOSISDBHSA-N	0	3	314.433	2.900	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@@H]1C	ZINC000247370799	426933303	/nfs/dbraw/zinc/93/33/03/426933303.db2.gz	NPMYEDWEYYXBCL-GOEBONIOSA-N	0	3	307.459	2.592	20	30		DFEDHN
COCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C	ZINC000337837319	426993487	/nfs/dbraw/zinc/99/34/87/426993487.db2.gz	CTHPDTHYXZAZFE-XJKSGUPXSA-N	0	3	317.433	2.926	20	30		DFEDHN
Cc1cncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000189751994	426939503	/nfs/dbraw/zinc/93/95/03/426939503.db2.gz	ADGHJLRWGAHUMD-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268579993	427055789	/nfs/dbraw/zinc/05/57/89/427055789.db2.gz	QJOHSJZBUCLROI-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](C)C1	ZINC000328781954	426996965	/nfs/dbraw/zinc/99/69/65/426996965.db2.gz	FYOAQTYONWNGBG-MGPQQGTHSA-N	0	3	304.438	2.592	20	30		DFEDHN
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]21	ZINC000248455732	427003642	/nfs/dbraw/zinc/00/36/42/427003642.db2.gz	ZWNDDWKINKYFQJ-BZUAXINKSA-N	0	3	303.450	2.840	20	30		DFEDHN
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCn2cncc2C1	ZINC000328913778	427011907	/nfs/dbraw/zinc/01/19/07/427011907.db2.gz	IKXJMWUZQRWQKO-IAGOWNOFSA-N	0	3	324.428	2.677	20	30		DFEDHN
CCCn1ncc(C(=O)N[C@H]2CCCN(CC)C2)c1C1CC1	ZINC000328940572	427014736	/nfs/dbraw/zinc/01/47/36/427014736.db2.gz	FBBIZCJDCPXGJU-AWEZNQCLSA-N	0	3	304.438	2.959	20	30		DFEDHN
C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000328944915	427016000	/nfs/dbraw/zinc/01/60/00/427016000.db2.gz	GDUDJTOZNIREFC-NOVWEMISSA-N	0	3	324.465	2.526	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H]1CCCS1)C(=O)NCCN1CCCCC1	ZINC000329002255	427025814	/nfs/dbraw/zinc/02/58/14/427025814.db2.gz	LMCMEMIZWHJXNX-OLZOCXBDSA-N	0	3	313.467	2.669	20	30		DFEDHN
C=CCn1c(N2CCN(C)[C@@H](C(C)C)C2)nnc1C(C)(C)C	ZINC000337901924	427026548	/nfs/dbraw/zinc/02/65/48/427026548.db2.gz	JREOQKHGINZNQG-CQSZACIVSA-N	0	3	305.470	2.538	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000268485534	427030616	/nfs/dbraw/zinc/03/06/16/427030616.db2.gz	PXIBOUHLWBUDMO-QZTJIDSGSA-N	0	3	316.445	2.598	20	30		DFEDHN
C=CCCN(C)C(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000276339132	427040898	/nfs/dbraw/zinc/04/08/98/427040898.db2.gz	CDMAHEIKSZRWQB-UHFFFAOYSA-N	0	3	317.433	2.501	20	30		DFEDHN
CCC1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCOCC1	ZINC000329096052	427042299	/nfs/dbraw/zinc/04/22/99/427042299.db2.gz	LCDNWKYBCWXMBX-INIZCTEOSA-N	0	3	324.465	2.793	20	30		DFEDHN
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCCN1C1CCCC1	ZINC000329097964	427042333	/nfs/dbraw/zinc/04/23/33/427042333.db2.gz	CNPQZNHWGBOVDS-QGPMSJSTSA-N	0	3	322.449	2.688	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000248794323	427045742	/nfs/dbraw/zinc/04/57/42/427045742.db2.gz	JCCYQRJRQRNJAE-LZLYRXPVSA-N	0	3	316.445	2.604	20	30		DFEDHN
CC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCO1	ZINC000182299894	427047673	/nfs/dbraw/zinc/04/76/73/427047673.db2.gz	UYYQWVKJXRBYMT-TUKIKUTGSA-N	0	3	319.405	2.642	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCC[C@H]1CN1CCOCC1	ZINC000248931252	427066202	/nfs/dbraw/zinc/06/62/02/427066202.db2.gz	MLBFHFUFWVRNLB-LPHOPBHVSA-N	0	3	313.445	2.806	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1	ZINC000329225851	427067304	/nfs/dbraw/zinc/06/73/04/427067304.db2.gz	GWFRIRNUAJCXEM-UKRRQHHQSA-N	0	3	324.469	2.508	20	30		DFEDHN
CO[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292052628	427070856	/nfs/dbraw/zinc/07/08/56/427070856.db2.gz	BIHNCQGSRSJZLE-ROUUACIJSA-N	0	3	323.396	2.794	20	30		DFEDHN
CC(=O)N1CCC(NC(=O)CN(C)C2CCCCCC2)CC1	ZINC000329241216	427073776	/nfs/dbraw/zinc/07/37/76/427073776.db2.gz	NKBIPXFXKKFEPC-UHFFFAOYSA-N	0	3	309.454	2.608	20	30		DFEDHN
CN(CCCOc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000268643220	427077629	/nfs/dbraw/zinc/07/76/29/427077629.db2.gz	SYWDLBKUAALNEY-IBGZPJMESA-N	0	3	310.397	2.993	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1	ZINC000329271938	427077827	/nfs/dbraw/zinc/07/78/27/427077827.db2.gz	HSMPSIHSTUMLLB-HOTGVXAUSA-N	0	3	321.465	2.608	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCN(Cc2ccc(F)cc2)CC1	ZINC000268672377	427087080	/nfs/dbraw/zinc/08/70/80/427087080.db2.gz	USMDSAVSKJEKQI-SFHVURJKSA-N	0	3	306.425	2.661	20	30		DFEDHN
CC[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)C	ZINC000268721792	427102358	/nfs/dbraw/zinc/10/23/58/427102358.db2.gz	IGNSZCPSXFMUAI-AWEZNQCLSA-N	0	3	312.335	2.513	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C	ZINC000329402133	427106771	/nfs/dbraw/zinc/10/67/71/427106771.db2.gz	WICXZAXOYYRBOR-OFQRWUPVSA-N	0	3	321.465	2.607	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN([C@H]3C[C@@H]3c3ccccc3)C2)nc1	ZINC000292160975	427116521	/nfs/dbraw/zinc/11/65/21/427116521.db2.gz	KYIXVKPURGZDQC-KURKYZTESA-N	0	3	305.381	2.962	20	30		DFEDHN
CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccc(C#N)c2)C1	ZINC000190484638	427121545	/nfs/dbraw/zinc/12/15/45/427121545.db2.gz	KUBVBUZXTVFGTG-FQEVSTJZSA-N	0	3	320.440	2.907	20	30		DFEDHN
O=C(NCCN1CCC2(CCCCC2)CC1)N[C@H]1CCCOC1	ZINC000329508194	427130112	/nfs/dbraw/zinc/13/01/12/427130112.db2.gz	LYSPVLAYLOWQIC-INIZCTEOSA-N	0	3	323.481	2.715	20	30		DFEDHN
COc1cccc2c1CCN(C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000182681654	427126746	/nfs/dbraw/zinc/12/67/46/427126746.db2.gz	VCTWADMEEJXXET-GOSISDBHSA-N	0	3	308.381	2.659	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N(CCN(C)C)Cc1ccco1	ZINC000337963655	427064202	/nfs/dbraw/zinc/06/42/02/427064202.db2.gz	GUVWQPQQJBQVNQ-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCCc2sccc21	ZINC000329538723	427138264	/nfs/dbraw/zinc/13/82/64/427138264.db2.gz	CDHPBMDHODFXSO-ZYHUDNBSSA-N	0	3	316.430	2.910	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1sccc1C#N	ZINC000250284179	427154623	/nfs/dbraw/zinc/15/46/23/427154623.db2.gz	JEYWBHQAHKBTJM-XQQFMLRXSA-N	0	3	305.447	2.716	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)CNc1cccc(C#N)c1	ZINC000164331607	271092126	/nfs/dbraw/zinc/09/21/26/271092126.db2.gz	WEKQSCRJRKACCO-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(N3CCCC3)ncn2)CC1	ZINC000277322312	427164100	/nfs/dbraw/zinc/16/41/00/427164100.db2.gz	DMRGZUKXAHNDKF-UHFFFAOYSA-N	0	3	301.438	2.529	20	30		DFEDHN
N#Cc1csc(CNCc2ccc(Cn3cncn3)cc2)c1	ZINC000177683703	271183298	/nfs/dbraw/zinc/18/32/98/271183298.db2.gz	RQKGZHXLUVWBKM-UHFFFAOYSA-N	0	3	309.398	2.549	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1	ZINC000269440648	427197982	/nfs/dbraw/zinc/19/79/82/427197982.db2.gz	SNYPCNWQCIIQHA-GXZWQRSESA-N	0	3	308.422	2.867	20	30		DFEDHN
COCC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C	ZINC000338377291	427287582	/nfs/dbraw/zinc/28/75/82/427287582.db2.gz	GPTRYMQMTNVODH-AWEZNQCLSA-N	0	3	321.421	2.747	20	30		DFEDHN
COCC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C(C)(C)C	ZINC000338377291	427287586	/nfs/dbraw/zinc/28/75/86/427287586.db2.gz	GPTRYMQMTNVODH-AWEZNQCLSA-N	0	3	321.421	2.747	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000338274057	427227403	/nfs/dbraw/zinc/22/74/03/427227403.db2.gz	KCLZAJJWMIDCLP-QWRGUYRKSA-N	0	3	307.419	2.500	20	30		DFEDHN
COC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000269634626	427235762	/nfs/dbraw/zinc/23/57/62/427235762.db2.gz	WZRCNZZMIYCACN-AWEZNQCLSA-N	0	3	313.319	2.905	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2nccs2)CC1	ZINC000183345010	427250176	/nfs/dbraw/zinc/25/01/76/427250176.db2.gz	ZMFINWDCUWQZJT-CYBMUJFWSA-N	0	3	322.478	2.586	20	30		DFEDHN
CC(C)C[C@@H]1C[C@@H](NC(=O)NCCN2CCCCC2)CCO1	ZINC000330671671	427286804	/nfs/dbraw/zinc/28/68/04/427286804.db2.gz	FNEFFBMKIFKMLN-JKSUJKDBSA-N	0	3	311.470	2.570	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](COC)C1CC1	ZINC000269714861	427257456	/nfs/dbraw/zinc/25/74/56/427257456.db2.gz	RGTKJZSOSUOKRF-CJNGLKHVSA-N	0	3	322.474	2.666	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ncc(C#N)cc1Cl	ZINC000330670542	427286891	/nfs/dbraw/zinc/28/68/91/427286891.db2.gz	LWFLYDYBOWFFOR-LBPRGKRZSA-N	0	3	306.797	2.786	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)COc1ccc2ccccc2c1	ZINC000191143570	427267240	/nfs/dbraw/zinc/26/72/40/427267240.db2.gz	BWHURARNIJWJOS-SFHVURJKSA-N	0	3	315.413	2.714	20	30		DFEDHN
CCC[C@]1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCOC1	ZINC000285540289	427267508	/nfs/dbraw/zinc/26/75/08/427267508.db2.gz	LNQLWYFIABACFX-INIZCTEOSA-N	0	3	321.446	2.724	20	30		DFEDHN
C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000277642773	427271825	/nfs/dbraw/zinc/27/18/25/427271825.db2.gz	DBVJMKVMVKFNLU-ZIBATOQPSA-N	0	3	321.808	2.553	20	30		DFEDHN
Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1Cl	ZINC000330604438	427272500	/nfs/dbraw/zinc/27/25/00/427272500.db2.gz	ITFLJCRYHUANHZ-CQSZACIVSA-N	0	3	310.825	2.800	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](C)[C@H]2CO)ccc1OC	ZINC000191175521	427277536	/nfs/dbraw/zinc/27/75/36/427277536.db2.gz	CNCLRVPRRRGGFV-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\SCc2ccco2)CC1	ZINC000255583900	427281283	/nfs/dbraw/zinc/28/12/83/427281283.db2.gz	UKGBYZWUOCTHTG-GHXNOFRVSA-N	0	3	306.431	2.793	20	30		DFEDHN
CC(C)Oc1cncc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1	ZINC000330766011	427301428	/nfs/dbraw/zinc/30/14/28/427301428.db2.gz	KJWRHLVNEVKIBL-CYBMUJFWSA-N	0	3	303.406	2.824	20	30		DFEDHN
CCc1nc(NC(=O)N[C@H](C)C2=CCN(C)CC2)sc1C	ZINC000330790441	427304787	/nfs/dbraw/zinc/30/47/87/427304787.db2.gz	SPKNQZWRHUKZPI-SNVBAGLBSA-N	0	3	308.451	2.990	20	30		DFEDHN
CC(C)c1ccccc1NC(=O)NCC1(O)CCN(C)CC1	ZINC000330875149	427309351	/nfs/dbraw/zinc/30/93/51/427309351.db2.gz	UHIAPKQPNGACAZ-UHFFFAOYSA-N	0	3	305.422	2.593	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cnn1C(C)(C)C	ZINC000330891593	427314238	/nfs/dbraw/zinc/31/42/38/427314238.db2.gz	CRNKMJFHBPPHBF-CHWSQXEVSA-N	0	3	306.454	2.988	20	30		DFEDHN
CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000330901536	427315506	/nfs/dbraw/zinc/31/55/06/427315506.db2.gz	KLWNIYHADLJPET-CZUORRHYSA-N	0	3	317.433	2.566	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285765717	427331303	/nfs/dbraw/zinc/33/13/03/427331303.db2.gz	MVDWSKZIMUTVCH-CZUORRHYSA-N	0	3	317.820	2.768	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1	ZINC000270375697	427337942	/nfs/dbraw/zinc/33/79/42/427337942.db2.gz	FBOHUDNSVRGLCM-JLSDUUJJSA-N	0	3	311.429	2.533	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1	ZINC000270392011	427343226	/nfs/dbraw/zinc/34/32/26/427343226.db2.gz	XUSQVRSFFUQVJO-FGTMMUONSA-N	0	3	311.429	2.629	20	30		DFEDHN
CC(C)([C@H](NC(=O)CC#N)c1ccc(F)c(F)c1)N1CCCC1	ZINC000331111843	427347319	/nfs/dbraw/zinc/34/73/19/427347319.db2.gz	LLPJBFLTSYZSMR-MRXNPFEDSA-N	0	3	321.371	2.910	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(C#N)ccc1F	ZINC000270412350	427348628	/nfs/dbraw/zinc/34/86/28/427348628.db2.gz	DOYRVAUWUYUPGS-RHSMWYFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C#N)ccc1F	ZINC000270412349	427349033	/nfs/dbraw/zinc/34/90/33/427349033.db2.gz	DOYRVAUWUYUPGS-PBHICJAKSA-N	0	3	304.365	2.909	20	30		DFEDHN
COCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C	ZINC000338377293	427287790	/nfs/dbraw/zinc/28/77/90/427287790.db2.gz	GPTRYMQMTNVODH-CQSZACIVSA-N	0	3	321.421	2.747	20	30		DFEDHN
COCC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C(C)(C)C	ZINC000338377293	427287799	/nfs/dbraw/zinc/28/77/99/427287799.db2.gz	GPTRYMQMTNVODH-CQSZACIVSA-N	0	3	321.421	2.747	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(-n2cccn2)c1	ZINC000183568771	427293895	/nfs/dbraw/zinc/29/38/95/427293895.db2.gz	JROAZRBFQAUYRY-MRXNPFEDSA-N	0	3	324.428	2.724	20	30		DFEDHN
CCn1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C(F)(F)F)n1	ZINC000331214794	427373356	/nfs/dbraw/zinc/37/33/56/427373356.db2.gz	BYGMTGDBEVXSPY-VHSXEESVSA-N	0	3	318.343	2.709	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1	ZINC000184005332	427373536	/nfs/dbraw/zinc/37/35/36/427373536.db2.gz	YHMLFFNDUHADOR-SJORKVTESA-N	0	3	320.436	2.935	20	30		DFEDHN
CCc1ccnc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)c1	ZINC000331249974	427380138	/nfs/dbraw/zinc/38/01/38/427380138.db2.gz	WDNJIZIDIJHICP-MRXNPFEDSA-N	0	3	318.465	2.768	20	30		DFEDHN
C#CCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000271035960	427382366	/nfs/dbraw/zinc/38/23/66/427382366.db2.gz	LWPGJLRMFQDQNN-UHFFFAOYSA-N	0	3	304.397	2.642	20	30		DFEDHN
CC(C)c1ccc(C(=O)NC[C@H]2CCCCN2CCO)c(O)c1	ZINC000331287907	427393468	/nfs/dbraw/zinc/39/34/68/427393468.db2.gz	ANNHDSBVGAUBEH-OAHLLOKOSA-N	0	3	320.433	2.667	20	30		DFEDHN
CCOC(=O)[C@](C)(CNCc1ccc(C#N)o1)c1ccccc1	ZINC000191637042	427394235	/nfs/dbraw/zinc/39/42/35/427394235.db2.gz	XDZZFYSQJHNQKY-GOSISDBHSA-N	0	3	312.369	2.762	20	30		DFEDHN
COC(C)(C)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000331305919	427394554	/nfs/dbraw/zinc/39/45/54/427394554.db2.gz	DVUWMHXKCKVDIE-UONOGXRCSA-N	0	3	313.486	2.814	20	30		DFEDHN
Cc1csc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)n1	ZINC000331312202	427396211	/nfs/dbraw/zinc/39/62/11/427396211.db2.gz	HIRNHJNUEZJTOP-GFCCVEGCSA-N	0	3	310.467	2.576	20	30		DFEDHN
Cc1c(Cl)cccc1C(=O)NC[C@@H]1CCCCN1CCO	ZINC000331319243	427399467	/nfs/dbraw/zinc/39/94/67/427399467.db2.gz	KCIHHPQHQZZWSI-ZDUSSCGKSA-N	0	3	310.825	2.800	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](C(=O)OC)C2)ccc1OC	ZINC000271120189	427410757	/nfs/dbraw/zinc/41/07/57/427410757.db2.gz	XWTVCWVEBVPPRI-OAHLLOKOSA-N	0	3	319.401	2.645	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2c(C)oc3ccccc32)CC1	ZINC000184190707	427414622	/nfs/dbraw/zinc/41/46/22/427414622.db2.gz	QPSLQQBIXQTNMJ-UHFFFAOYSA-N	0	3	310.397	2.703	20	30		DFEDHN
C=CCOc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1	ZINC000277927425	427363019	/nfs/dbraw/zinc/36/30/19/427363019.db2.gz	BLMJDGXJBPUGNN-LLVKDONJSA-N	0	3	314.263	2.629	20	30		DFEDHN
C=CCOc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1	ZINC000277927425	427363024	/nfs/dbraw/zinc/36/30/24/427363024.db2.gz	BLMJDGXJBPUGNN-LLVKDONJSA-N	0	3	314.263	2.629	20	30		DFEDHN
Cn1cc(CN[C@H]2CCCN(c3ccccc3F)C2)cc1C#N	ZINC000191508443	427367693	/nfs/dbraw/zinc/36/76/93/427367693.db2.gz	VDESTXJYLQVWAE-HNNXBMFYSA-N	0	3	312.392	2.794	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@@H](N3CCCC3)[C@H]2C)c1C#N	ZINC000286259190	427473065	/nfs/dbraw/zinc/47/30/65/427473065.db2.gz	CTHKXEPMYYIETP-IUODEOHRSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@@H]2CCC[C@@H]2CCO)c1	ZINC000286296434	427484847	/nfs/dbraw/zinc/48/48/47/427484847.db2.gz	VIHITWFRVQECDH-IUODEOHRSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCN(CCOC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000191763023	427421948	/nfs/dbraw/zinc/42/19/48/427421948.db2.gz	UUJHPEWEYCFPMA-HNNXBMFYSA-N	0	3	312.454	2.768	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](C)C[S@@](C)=O)ccc1OC	ZINC000184266982	427426156	/nfs/dbraw/zinc/42/61/56/427426156.db2.gz	UFCSQVFWFCIMIV-LRTDBIEQSA-N	0	3	311.447	2.507	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000338789473	427491153	/nfs/dbraw/zinc/49/11/53/427491153.db2.gz	QRUOBGCRFCOCGS-MRXNPFEDSA-N	0	3	317.481	2.583	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000298017131	427502019	/nfs/dbraw/zinc/50/20/19/427502019.db2.gz	RCDMBABTCVGERW-SJLPKXTDSA-N	0	3	313.445	2.704	20	30		DFEDHN
Cc1cccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192243399	427508781	/nfs/dbraw/zinc/50/87/81/427508781.db2.gz	BNIYSLBCIJFQON-LJQANCHMSA-N	0	3	319.408	2.757	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)s1	ZINC000271415867	427529348	/nfs/dbraw/zinc/52/93/48/427529348.db2.gz	YLDKUHDNLGGHOE-GFCCVEGCSA-N	0	3	313.430	2.995	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)s1	ZINC000271415867	427529353	/nfs/dbraw/zinc/52/93/53/427529353.db2.gz	YLDKUHDNLGGHOE-GFCCVEGCSA-N	0	3	313.430	2.995	20	30		DFEDHN
N#CCCOCCN1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000338890430	427542125	/nfs/dbraw/zinc/54/21/25/427542125.db2.gz	RHCPKJFQBWWBQV-UHFFFAOYSA-N	0	3	321.852	2.778	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000192496872	427551348	/nfs/dbraw/zinc/55/13/48/427551348.db2.gz	RBSVMHUFHQBQFX-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC[C@@H](C)C1	ZINC000278890066	427489663	/nfs/dbraw/zinc/48/96/63/427489663.db2.gz	OQQCUYNKVOZYDV-CHWSQXEVSA-N	0	3	303.381	2.548	20	30		DFEDHN
CN1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000272041591	427611737	/nfs/dbraw/zinc/61/17/37/427611737.db2.gz	OVECTJZMLKSWHT-WOJBJXKFSA-N	0	3	321.424	2.580	20	30		DFEDHN
CSc1ccc([C@@H](CNc2nccnc2C#N)N(C)C)cc1	ZINC000294156231	427566967	/nfs/dbraw/zinc/56/69/67/427566967.db2.gz	RGOSPSIDYKGVRI-OAHLLOKOSA-N	0	3	313.430	2.785	20	30		DFEDHN
C[C@H](O)CN(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1	ZINC000263784339	427570740	/nfs/dbraw/zinc/57/07/40/427570740.db2.gz	OVLDTTWPVGWHLM-AWEZNQCLSA-N	0	3	315.417	2.512	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@H](CCO)c2ccco2)c1	ZINC000185106939	427596161	/nfs/dbraw/zinc/59/61/61/427596161.db2.gz	MSNPSJSMCYNAQH-MRXNPFEDSA-N	0	3	300.358	2.633	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(C#N)cc3)C2)C1	ZINC000294354949	427634074	/nfs/dbraw/zinc/63/40/74/427634074.db2.gz	YRQDOZNANCHYHU-UCFODXPJSA-N	0	3	309.413	2.516	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)/C=C/c1ccccc1C#N	ZINC000287586225	427646208	/nfs/dbraw/zinc/64/62/08/427646208.db2.gz	XTAMCHAOVIJRAO-MDZDMXLPSA-N	0	3	311.429	2.906	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COCC(C)C	ZINC000298562934	427648038	/nfs/dbraw/zinc/64/80/38/427648038.db2.gz	KOHRCAVZJMFAOH-SFHVURJKSA-N	0	3	304.434	2.804	20	30		DFEDHN
CCOC(=O)COc1ccc(CNCc2cccc(C#N)c2)cc1	ZINC000343277355	272110773	/nfs/dbraw/zinc/11/07/73/272110773.db2.gz	WBLMUXCYCBPSPX-UHFFFAOYSA-N	0	3	324.380	2.790	20	30		DFEDHN
COc1ccc([C@@H]2OCC[C@H]2NCc2ccc(C#N)c(C)c2)cn1	ZINC000343385996	272132606	/nfs/dbraw/zinc/13/26/06/272132606.db2.gz	DZWAQCGBPHIUFU-MJGOQNOKSA-N	0	3	323.396	2.890	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2ccc(F)cc2)c1C#N	ZINC000343504027	272161150	/nfs/dbraw/zinc/16/11/50/272161150.db2.gz	BEMLYLNYQLXNLX-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
CN(CCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279444060	427675546	/nfs/dbraw/zinc/67/55/46/427675546.db2.gz	YUHWZULHLKOUII-LJQANCHMSA-N	0	3	317.392	2.942	20	30		DFEDHN
COC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272254983	427686603	/nfs/dbraw/zinc/68/66/03/427686603.db2.gz	IYANGUXWBIISSI-UHFFFAOYSA-N	0	3	310.401	2.570	20	30		DFEDHN
COC(=O)COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1	ZINC000185647904	427686991	/nfs/dbraw/zinc/68/69/91/427686991.db2.gz	YJXSTBVPRMSIHP-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1	ZINC000272319632	427707576	/nfs/dbraw/zinc/70/75/76/427707576.db2.gz	UCYYBKNSZLZXDD-ABAIWWIYSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=CCOCCN1CCC(N2CCc3cc(F)ccc32)CC1	ZINC000339167568	427713618	/nfs/dbraw/zinc/71/36/18/427713618.db2.gz	YBLCTIPLDIFVHM-UHFFFAOYSA-N	0	3	304.409	2.855	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n1	ZINC000287924942	427716249	/nfs/dbraw/zinc/71/62/49/427716249.db2.gz	QNOJPZWKLXXACK-YOEHRIQHSA-N	0	3	307.401	2.732	20	30		DFEDHN
CCCCN(CCCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000336845326	427756267	/nfs/dbraw/zinc/75/62/67/427756267.db2.gz	KIHNMHBHUMEJNG-OAHLLOKOSA-N	0	3	314.495	2.996	20	30		DFEDHN
CCn1nc(C)c(C(=O)C(C#N)c2nc3ccccc3n2C)c1C	ZINC000339362099	427760366	/nfs/dbraw/zinc/76/03/66/427760366.db2.gz	NGGOWJVCGKWSSA-ZDUSSCGKSA-N	0	3	321.384	2.897	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1C[C@H](N(C)C)Cc2ccccc21)OCC	ZINC000339366964	427760614	/nfs/dbraw/zinc/76/06/14/427760614.db2.gz	QIWYARVAPGLNIC-SJLPKXTDSA-N	0	3	316.445	2.877	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCN(CC2CCOCC2)CC1	ZINC000336861566	427765090	/nfs/dbraw/zinc/76/50/90/427765090.db2.gz	CPVWNWDNKZJJTB-UHFFFAOYSA-N	0	3	307.482	2.751	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1CCCOc1cccc(C#N)c1	ZINC000336867883	427766724	/nfs/dbraw/zinc/76/67/24/427766724.db2.gz	PWDCNJDNRMGSQP-AEFFLSMTSA-N	0	3	313.445	2.886	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1)OCC	ZINC000339399286	427769066	/nfs/dbraw/zinc/76/90/66/427769066.db2.gz	HZQUAHWDTZZUFH-GOSISDBHSA-N	0	3	318.461	2.948	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC1CCN(CC)CC1	ZINC000339523043	427787891	/nfs/dbraw/zinc/78/78/91/427787891.db2.gz	PZEMUBPEGUWDIC-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCC[C@@H]1CN1CCCCC1)OCC	ZINC000339201388	427729921	/nfs/dbraw/zinc/72/99/21/427729921.db2.gz	RPTIBHFZDLBFMV-SJORKVTESA-N	0	3	308.466	2.835	20	30		DFEDHN
Cc1nocc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000339246771	427739803	/nfs/dbraw/zinc/73/98/03/427739803.db2.gz	DFTKDUHIIQJOMB-OAHLLOKOSA-N	0	3	314.364	2.752	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H]2CCCc3ccccc32)CC1	ZINC000299062286	427745254	/nfs/dbraw/zinc/74/52/54/427745254.db2.gz	SDYHFKFRRXDBFL-GOSISDBHSA-N	0	3	310.441	2.568	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1	ZINC000194528892	427747342	/nfs/dbraw/zinc/74/73/42/427747342.db2.gz	VQMMGOCHVLLDQK-UHFFFAOYSA-N	0	3	324.428	2.901	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2c(C#N)cnc3ccccc32)CC1	ZINC000301501657	427801197	/nfs/dbraw/zinc/80/11/97/427801197.db2.gz	FAWYVUCIGBERCW-OAHLLOKOSA-N	0	3	323.444	2.544	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H](C)N1C	ZINC000339617815	427802446	/nfs/dbraw/zinc/80/24/46/427802446.db2.gz	YNRDFFLSEAVWCO-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCN1CC[C@@H](N(CCc2ccccc2)CC(C)C)C1=O	ZINC000337129296	427803044	/nfs/dbraw/zinc/80/30/44/427803044.db2.gz	IHAZYEDHCHXVAC-GOSISDBHSA-N	0	3	300.446	2.974	20	30		DFEDHN
CCN1CCC[C@H]1CN(Cc1ccncc1)c1ccc(C#N)cn1	ZINC000301573738	427806396	/nfs/dbraw/zinc/80/63/96/427806396.db2.gz	SAIMIFZWRSRXLZ-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CCc1nnc(NC[C@H](CC)N2CCCC2)c(C#N)c1CC	ZINC000301612856	427810170	/nfs/dbraw/zinc/81/01/70/427810170.db2.gz	GJSPHDYBCIDCOW-ZDUSSCGKSA-N	0	3	301.438	2.759	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@](CO)(C(C)C)C1	ZINC000339702260	427814952	/nfs/dbraw/zinc/81/49/52/427814952.db2.gz	OTCYFGLGUCDCFJ-GOSISDBHSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)C1=O	ZINC000337206632	427815639	/nfs/dbraw/zinc/81/56/39/427815639.db2.gz	MXTCNJAYEZKGPG-FHLIZLRMSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CC[C@@H](C)OCc2ccccc2)C1=O	ZINC000337237593	427820832	/nfs/dbraw/zinc/82/08/32/427820832.db2.gz	YQAVWBADWCBMFY-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c(Cl)c1	ZINC000337249299	427824203	/nfs/dbraw/zinc/82/42/03/427824203.db2.gz	JHVMRODYPIIJOF-DJIMGWMZSA-N	0	3	320.820	2.573	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000355644752	427834663	/nfs/dbraw/zinc/83/46/63/427834663.db2.gz	WUOFLCYKWUREAM-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000355644749	427835208	/nfs/dbraw/zinc/83/52/08/427835208.db2.gz	WUOFLCYKWUREAM-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCCC[C@H]1C	ZINC000337369240	427868261	/nfs/dbraw/zinc/86/82/61/427868261.db2.gz	OGXNYHOHCPSNFF-IAGOWNOFSA-N	0	3	313.445	2.600	20	30		DFEDHN
N#Cc1cccc(NC(=O)CN[C@H]2CCCC[C@@H]2OC(F)F)c1	ZINC000337386387	427879051	/nfs/dbraw/zinc/87/90/51/427879051.db2.gz	FUHPLOTVOLTRSC-KBPBESRZSA-N	0	3	323.343	2.637	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1	ZINC000359534082	427895865	/nfs/dbraw/zinc/89/58/65/427895865.db2.gz	BFKGLLWMMXCWET-AESZEHBQSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=C(C)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000350724624	427965990	/nfs/dbraw/zinc/96/59/90/427965990.db2.gz	MLUYYWGEJOKGDJ-UHFFFAOYSA-N	0	3	319.371	2.667	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000350729558	427966172	/nfs/dbraw/zinc/96/61/72/427966172.db2.gz	LIHJQXFOUBIHDX-HIFRSBDPSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000350728309	427967020	/nfs/dbraw/zinc/96/70/20/427967020.db2.gz	BJCBPGHRJYFBDD-HUUCEWRRSA-N	0	3	319.497	2.972	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@H]3CCC(F)(F)C3)CC2)nc1	ZINC000340286782	427979962	/nfs/dbraw/zinc/97/99/62/427979962.db2.gz	USVOCDNXWGRKDD-ZDUSSCGKSA-N	0	3	306.360	2.511	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(C(C)C)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413185006	427983772	/nfs/dbraw/zinc/98/37/72/427983772.db2.gz	LAIYUFISCNEKGF-IUODEOHRSA-N	0	3	302.378	2.916	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	ZINC000359616755	427938940	/nfs/dbraw/zinc/93/89/40/427938940.db2.gz	JWKAUVZDLJWMAQ-GWCFXTLKSA-N	0	3	312.291	2.765	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2NCc2cc(C#N)cs2)cn1	ZINC000340176167	427944354	/nfs/dbraw/zinc/94/43/54/427944354.db2.gz	BBXXLNVCKAYWBQ-CVEARBPZSA-N	0	3	316.430	2.846	20	30		DFEDHN
C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)CCN(C2CC2)C1	ZINC000413339483	428024411	/nfs/dbraw/zinc/02/44/11/428024411.db2.gz	YIZMJNMJZPROOE-NSHDSACASA-N	0	3	324.350	2.893	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccccc1OCc1ccccn1	ZINC000341254508	428028432	/nfs/dbraw/zinc/02/84/32/428028432.db2.gz	FOUJQSCCTIYLLL-INIZCTEOSA-N	0	3	312.413	2.935	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000359824903	428033252	/nfs/dbraw/zinc/03/32/52/428033252.db2.gz	ZQVWVHWBHJKYLJ-AWEZNQCLSA-N	0	3	317.389	2.792	20	30		DFEDHN
CC[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000413408580	428042626	/nfs/dbraw/zinc/04/26/26/428042626.db2.gz	IGIVLMCFNORTJY-OLZOCXBDSA-N	0	3	313.323	2.726	20	30		DFEDHN
C[C@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)c(F)c1	ZINC000346159635	428043286	/nfs/dbraw/zinc/04/32/86/428043286.db2.gz	HZARCDVTAYHAGR-ZDUSSCGKSA-N	0	3	314.360	2.919	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC2(CCC2)C[C@H]1C	ZINC000369730379	428045974	/nfs/dbraw/zinc/04/59/74/428045974.db2.gz	FEEFJOOIJFSAPU-CABCVRRESA-N	0	3	303.450	2.982	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC2(CCC2)C[C@@H]1C	ZINC000369730380	428047404	/nfs/dbraw/zinc/04/74/04/428047404.db2.gz	FEEFJOOIJFSAPU-GJZGRUSLSA-N	0	3	303.450	2.982	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)c1ncc(C#N)cc1F	ZINC000413463048	428054518	/nfs/dbraw/zinc/05/45/18/428054518.db2.gz	XZYJVRGPLIAREO-UHFFFAOYSA-N	0	3	304.394	2.722	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369554665	427998384	/nfs/dbraw/zinc/99/83/84/427998384.db2.gz	SLFPWPTTYWUKLN-YPMHNXCESA-N	0	3	313.854	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CC1	ZINC000413232144	427998706	/nfs/dbraw/zinc/99/87/06/427998706.db2.gz	GMFSHOCKJVJBLE-DOTOQJQBSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)OC	ZINC000359746242	428003705	/nfs/dbraw/zinc/00/37/05/428003705.db2.gz	JVZZYLKSYSKVIS-CQSZACIVSA-N	0	3	324.494	2.620	20	30		DFEDHN
C[C@@H](N[C@@H]1CCNC1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359762302	428008584	/nfs/dbraw/zinc/00/85/84/428008584.db2.gz	GEWRGKJLJYNIEA-FZKQIMNGSA-N	0	3	305.381	2.764	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1	ZINC000369590888	428010374	/nfs/dbraw/zinc/01/03/74/428010374.db2.gz	HSEMTXIUOMZPJJ-HZPDHXFCSA-N	0	3	316.470	2.764	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000369875111	428078557	/nfs/dbraw/zinc/07/85/57/428078557.db2.gz	RPWPPXNNGYGYCL-YYIAUSFCSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1	ZINC000356228467	428078988	/nfs/dbraw/zinc/07/89/88/428078988.db2.gz	JWUNAJKGVIPEII-LJQANCHMSA-N	0	3	314.429	2.809	20	30		DFEDHN
CCN1CC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000413567111	428083469	/nfs/dbraw/zinc/08/34/69/428083469.db2.gz	BGRYHPPUARSSSY-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
CCN1CC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000413567107	428084330	/nfs/dbraw/zinc/08/43/30/428084330.db2.gz	BGRYHPPUARSSSY-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC(C)(C)C1	ZINC000351590760	428100643	/nfs/dbraw/zinc/10/06/43/428100643.db2.gz	YNDGKAGTSLYCOU-UHFFFAOYSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360025564	428123407	/nfs/dbraw/zinc/12/34/07/428123407.db2.gz	RFNXIXZDRJCTBE-OAGGEKHMSA-N	0	3	313.445	2.898	20	30		DFEDHN
CC[C@H](N[C@H](CCSC)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000352519901	428137691	/nfs/dbraw/zinc/13/76/91/428137691.db2.gz	SNWRKANPOVMCED-JKSUJKDBSA-N	0	3	319.474	2.809	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CN1C1CC1	ZINC000356352188	428137894	/nfs/dbraw/zinc/13/78/94/428137894.db2.gz	LIMQOBOCEBTPCV-DJIMGWMZSA-N	0	3	311.429	2.815	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000360066787	428140246	/nfs/dbraw/zinc/14/02/46/428140246.db2.gz	SEWCOJGMHSZHHI-DZGCQCFKSA-N	0	3	320.462	2.514	20	30		DFEDHN
CCCC[C@@H](NCC(C)(C)CCC#N)C(=O)Nc1cc(C)on1	ZINC000352270307	428129697	/nfs/dbraw/zinc/12/96/97/428129697.db2.gz	FENBDIIZJRKCPJ-CQSZACIVSA-N	0	3	320.437	3.400	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CC)C1	ZINC000413843669	428152196	/nfs/dbraw/zinc/15/21/96/428152196.db2.gz	ZTEOCOBQZHZKMF-SJORKVTESA-N	0	3	301.434	2.567	20	30		DFEDHN
CCN1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000413846401	428152734	/nfs/dbraw/zinc/15/27/34/428152734.db2.gz	TZXPPXLETRAIML-QGZVFWFLSA-N	0	3	314.433	2.572	20	30		DFEDHN
Cc1nc(NC[C@]2(N(C)C)CCSC2)c(Cl)cc1C#N	ZINC000360086915	428153039	/nfs/dbraw/zinc/15/30/39/428153039.db2.gz	BPDNTPOPQGGCNS-CQSZACIVSA-N	0	3	310.854	2.764	20	30		DFEDHN
Cc1cc(N2CCC[C@@H](NCc3ccc(C#N)cc3)C2)nc(C)n1	ZINC000377557101	428158509	/nfs/dbraw/zinc/15/85/09/428158509.db2.gz	RAIRJEWIIZLTKT-GOSISDBHSA-N	0	3	321.428	2.724	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@]1(C)CCCc2ccccc21	ZINC000341685718	428156090	/nfs/dbraw/zinc/15/60/90/428156090.db2.gz	ACQOVHHOLUQIAH-KXBFYZLASA-N	0	3	313.445	2.836	20	30		DFEDHN
C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1[O-]	ZINC000370336127	428185116	/nfs/dbraw/zinc/18/51/16/428185116.db2.gz	XPHISEUTUTXJFL-CQSZACIVSA-N	0	3	322.412	2.978	20	30		DFEDHN
CC(C)(C)C[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000346438481	428172879	/nfs/dbraw/zinc/17/28/79/428172879.db2.gz	QDMMQIRTOBBYIB-HZPDHXFCSA-N	0	3	302.418	2.672	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H]1N(C)C	ZINC000360130758	428173040	/nfs/dbraw/zinc/17/30/40/428173040.db2.gz	JJJLDAHCQZEBKR-LSDHHAIUSA-N	0	3	309.866	2.689	20	30		DFEDHN
C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)C(=O)NC1(C#N)CCC1	ZINC000346543299	428210843	/nfs/dbraw/zinc/21/08/43/428210843.db2.gz	NUNYZLQCDRTNAA-HUUCEWRRSA-N	0	3	313.445	2.893	20	30		DFEDHN
COc1cc([C@@H](C)NCC(C)(C)CC#N)ccc1S(C)(=O)=O	ZINC000414171357	428224789	/nfs/dbraw/zinc/22/47/89/428224789.db2.gz	USGJUSPGLRPITJ-GFCCVEGCSA-N	0	3	324.446	2.689	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCN(Cc2ccccc2F)CC1	ZINC000370502824	428225083	/nfs/dbraw/zinc/22/50/83/428225083.db2.gz	KVGIORNDNPKSHP-KRWDZBQOSA-N	0	3	306.425	2.661	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1ccnc(C2CC2)n1)C(C)C	ZINC000346591608	428231634	/nfs/dbraw/zinc/23/16/34/428231634.db2.gz	JYDIAOKHTOAVMP-INIZCTEOSA-N	0	3	300.450	3.465	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CC1	ZINC000370332922	428186499	/nfs/dbraw/zinc/18/64/99/428186499.db2.gz	JCKFHNDUVJRYOI-QAPCUYQASA-N	0	3	305.466	2.859	20	30		DFEDHN
CN1CCN(Cc2cccc(C#N)c2)C[C@H]1Cc1ccccc1	ZINC000341995976	428272744	/nfs/dbraw/zinc/27/27/44/428272744.db2.gz	RFGDLDNOVNFXBY-HXUWFJFHSA-N	0	3	305.425	2.917	20	30		DFEDHN
C[C@@H](NCc1nc(C#N)cs1)[C@H](c1ccccc1)N(C)C	ZINC000352861377	428284389	/nfs/dbraw/zinc/28/43/89/428284389.db2.gz	HNRDWVAHFVCTPO-MLGOLLRUSA-N	0	3	300.431	2.796	20	30		DFEDHN
C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1=CCN(C)CC1	ZINC000356748868	428291425	/nfs/dbraw/zinc/29/14/25/428291425.db2.gz	VNYCUOJDGITBQL-QAPCUYQASA-N	0	3	311.429	2.841	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)cc1Cl	ZINC000414493950	428318539	/nfs/dbraw/zinc/31/85/39/428318539.db2.gz	CXFIMPZCQGFPMY-CQSZACIVSA-N	0	3	322.836	2.815	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(C#N)c(F)c3)C[C@H]1CCCC2	ZINC000342175341	428335794	/nfs/dbraw/zinc/33/57/94/428335794.db2.gz	PSEUDFPENORNDN-CRAIPNDOSA-N	0	3	316.376	2.863	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(F)c(C#N)c3)C[C@@H]1CCCC2	ZINC000342178637	428338324	/nfs/dbraw/zinc/33/83/24/428338324.db2.gz	SGSOJMMBCMMWET-MAUKXSAKSA-N	0	3	316.376	2.863	20	30		DFEDHN
C[C@@H](C1CC1)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1	ZINC000346843869	428341868	/nfs/dbraw/zinc/34/18/68/428341868.db2.gz	XUVWTGVYVUAVEJ-HNNXBMFYSA-N	0	3	311.429	2.850	20	30		DFEDHN
CN(CC1(O)CCCC1)C(=O)C(C#N)CCc1ccccc1	ZINC000346861976	428349683	/nfs/dbraw/zinc/34/96/83/428349683.db2.gz	VYYDNZQAFYLQMY-INIZCTEOSA-N	0	3	300.402	2.522	20	30		DFEDHN
C=CCN(C(=O)c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371589940	428397590	/nfs/dbraw/zinc/39/75/90/428397590.db2.gz	JWWIIYQDOKIHQN-IBGZPJMESA-N	0	3	321.424	2.984	20	30		DFEDHN
C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc2c(c1)CCCC2	ZINC000347016385	428409016	/nfs/dbraw/zinc/40/90/16/428409016.db2.gz	OIDOJDKXRIXHCZ-AWEZNQCLSA-N	0	3	311.429	2.778	20	30		DFEDHN
C[C@H]1COCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000371106073	428360727	/nfs/dbraw/zinc/36/07/27/428360727.db2.gz	INVNGGQLEJQWHP-GFCCVEGCSA-N	0	3	321.808	2.509	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	ZINC000347029799	428413203	/nfs/dbraw/zinc/41/32/03/428413203.db2.gz	BKMGEHQBOWPCJW-LLVKDONJSA-N	0	3	304.777	2.921	20	30		DFEDHN
COc1cc2c(c(OC)c1OC)CCN(CCCCC#N)CC2	ZINC000371223882	428377642	/nfs/dbraw/zinc/37/76/42/428377642.db2.gz	SZABOOAMJXBPRS-UHFFFAOYSA-N	0	3	318.417	2.807	20	30		DFEDHN
Cc1cccnc1CN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000378377565	428384204	/nfs/dbraw/zinc/38/42/04/428384204.db2.gz	BZLIAUNJTPVKNP-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C[C@@H](CN1CCCC1=O)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360654970	428384859	/nfs/dbraw/zinc/38/48/59/428384859.db2.gz	BAKKVVOXMSLLHZ-KSSFIOAISA-N	0	3	311.429	2.926	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)c2cccs2)CC1	ZINC000342659524	428438237	/nfs/dbraw/zinc/43/82/37/428438237.db2.gz	VYONPINLMOJFQP-UHFFFAOYSA-N	0	3	307.463	2.933	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000342734323	428441090	/nfs/dbraw/zinc/44/10/90/428441090.db2.gz	JSGVBEKEKFFMAO-KBPBESRZSA-N	0	3	318.417	2.531	20	30		DFEDHN
C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C#N)cc1	ZINC000342729931	428442030	/nfs/dbraw/zinc/44/20/30/428442030.db2.gz	OFUXSYWKVIQUOK-CYBMUJFWSA-N	0	3	301.353	2.928	20	30		DFEDHN
C[C@@H]1OCC[C@@]1(O)CN(CCC(C)(C)C#N)Cc1ccccc1	ZINC000347111453	428452207	/nfs/dbraw/zinc/45/22/07/428452207.db2.gz	YDXMGSZNCYLOCY-QFBILLFUSA-N	0	3	316.445	2.968	20	30		DFEDHN
C=CCN(C(=O)NCC1CC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372487570	428453852	/nfs/dbraw/zinc/45/38/52/428453852.db2.gz	QSQWABMZUMFWQB-GOSISDBHSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=CCOCCNC[C@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000380412453	428454928	/nfs/dbraw/zinc/45/49/28/428454928.db2.gz	HQOIOYZZJIVLAG-NSHDSACASA-N	0	3	320.216	2.525	20	30		DFEDHN
C=CCOCCNC[C@H](O)COc1c(Cl)cccc1Cl	ZINC000380396697	428455066	/nfs/dbraw/zinc/45/50/66/428455066.db2.gz	CFVXTHKDMLBRCL-NSHDSACASA-N	0	3	320.216	2.525	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1	ZINC000357255639	428455971	/nfs/dbraw/zinc/45/59/71/428455971.db2.gz	LWJDZBRXAXABTN-IBGZPJMESA-N	0	3	322.408	2.868	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1ccccc1)CC2	ZINC000353256941	428455959	/nfs/dbraw/zinc/45/59/59/428455959.db2.gz	AOVJYOQEOLJHEX-SFHVURJKSA-N	0	3	305.381	2.565	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)N(CCC)CCN1CCCCC1	ZINC000342797297	428458997	/nfs/dbraw/zinc/45/89/97/428458997.db2.gz	QRERKAYYCUYVTO-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(-n3cncn3)cc1)CC2	ZINC000353272112	428462612	/nfs/dbraw/zinc/46/26/12/428462612.db2.gz	KSQJKPMIGBVJST-IBGZPJMESA-N	0	3	315.380	2.916	20	30		DFEDHN
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(C)C#N)C1	ZINC000347136002	428463678	/nfs/dbraw/zinc/46/36/78/428463678.db2.gz	NMGGULMVPXYEPU-CHWSQXEVSA-N	0	3	305.809	2.751	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cc(C#N)cs3)C[C@H]1CCCC2	ZINC000342829105	428464923	/nfs/dbraw/zinc/46/49/23/428464923.db2.gz	ZTZZNGOJOSNXTG-CZUORRHYSA-N	0	3	304.415	2.785	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCOc2ccc(Br)cc21	ZINC000347033403	428415065	/nfs/dbraw/zinc/41/50/65/428415065.db2.gz	HDOKXSAWWAGOIO-KWQFWETISA-N	0	3	309.163	2.549	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000342366982	428417758	/nfs/dbraw/zinc/41/77/58/428417758.db2.gz	WALYBHSGGSISEL-NXHRZFHOSA-N	0	3	316.445	2.604	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1	ZINC000347042916	428420938	/nfs/dbraw/zinc/42/09/38/428420938.db2.gz	VPJWORYVPVNGON-JTQLQIEISA-N	0	3	306.312	2.546	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN(CC)CC	ZINC000342532519	428430435	/nfs/dbraw/zinc/43/04/35/428430435.db2.gz	LKVNHUBZHBIBLY-UHFFFAOYSA-N	0	3	306.454	2.711	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1ncc(C#N)cc1Cl	ZINC000347196438	428489226	/nfs/dbraw/zinc/48/92/26/428489226.db2.gz	LIKHTKVMYFOIMD-UHFFFAOYSA-N	0	3	304.781	2.768	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(C#N)c1	ZINC000370916468	273819363	/nfs/dbraw/zinc/81/93/63/273819363.db2.gz	HWHILVVDPJYMND-OALUTQOASA-N	0	3	319.408	2.906	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000353364649	428503561	/nfs/dbraw/zinc/50/35/61/428503561.db2.gz	OBEBBBASSXYWMP-FUHWJXTLSA-N	0	3	318.461	2.528	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H]([C@H]2CCOC2)C1	ZINC000347288503	428531671	/nfs/dbraw/zinc/53/16/71/428531671.db2.gz	YZQGKEPMUPZMRO-RDJZCZTQSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)N(C)C1CC1	ZINC000353394951	428517386	/nfs/dbraw/zinc/51/73/86/428517386.db2.gz	MLVMSHYUJUDVQT-CQSZACIVSA-N	0	3	305.422	2.502	20	30		DFEDHN
COc1cc(CN2CCNCc3c(C)cccc32)ccc1C#N	ZINC000415109288	428524844	/nfs/dbraw/zinc/52/48/44/428524844.db2.gz	XWEGWAMMYKEYGE-UHFFFAOYSA-N	0	3	307.397	2.985	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000361023054	428529372	/nfs/dbraw/zinc/52/93/72/428529372.db2.gz	KRZUNOAGNXPQQP-MNOVXSKESA-N	0	3	311.307	2.560	20	30		DFEDHN
C=CCOc1ccc(CN(C)[C@@H]2CCN(C3CC3)C2)cc1OC	ZINC000353305492	428476960	/nfs/dbraw/zinc/47/69/60/428476960.db2.gz	CXFZVROLRZSKCY-QGZVFWFLSA-N	0	3	316.445	2.929	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000358197686	428587214	/nfs/dbraw/zinc/58/72/14/428587214.db2.gz	FXTLGCIPZACDFC-QZTJIDSGSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)C1CC(OCC)C1	ZINC000347473155	428587279	/nfs/dbraw/zinc/58/72/79/428587279.db2.gz	YIIUMUOFUQKNMF-LXPRWKDFSA-N	0	3	319.445	2.654	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)CC[C@@H]2C)cc1OC	ZINC000353444885	428539336	/nfs/dbraw/zinc/53/93/36/428539336.db2.gz	GRGQQZIOMMSHAH-HNNXBMFYSA-N	0	3	304.434	2.786	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2cccc(OCCCC#N)c2)CCN1C	ZINC000361156223	428541698	/nfs/dbraw/zinc/54/16/98/428541698.db2.gz	RLLZVTMPIDAHMK-HZPDHXFCSA-N	0	3	301.434	2.894	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@H](C)CN1C	ZINC000361165507	428543615	/nfs/dbraw/zinc/54/36/15/428543615.db2.gz	JRGKTXCPEPXXAN-HZPDHXFCSA-N	0	3	301.434	2.894	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000361236235	428550662	/nfs/dbraw/zinc/55/06/62/428550662.db2.gz	DAIOQNPGHWCQFI-MRXNPFEDSA-N	0	3	318.417	2.989	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1(O)CCC1	ZINC000353488167	428562167	/nfs/dbraw/zinc/56/21/67/428562167.db2.gz	OAAYKKQQVCERPH-UHFFFAOYSA-N	0	3	313.319	2.784	20	30		DFEDHN
C=CCc1cc(CNC(C)(C)CCC(=O)OC)cc(OC)c1O	ZINC000358293425	428594440	/nfs/dbraw/zinc/59/44/40/428594440.db2.gz	WVZZRQPATUYEMQ-UHFFFAOYSA-N	0	3	321.417	2.951	20	30		DFEDHN
CC(C#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000357804662	428564147	/nfs/dbraw/zinc/56/41/47/428564147.db2.gz	QUTGRRIEPRUHAS-MRVPVSSYSA-N	0	3	314.172	2.550	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000353563270	428594483	/nfs/dbraw/zinc/59/44/83/428594483.db2.gz	MXZJDBGTIHPYGP-GOSISDBHSA-N	0	3	315.417	2.522	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000361462990	428570617	/nfs/dbraw/zinc/57/06/17/428570617.db2.gz	DJKAYICKDLGJCN-OALUTQOASA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000361462994	428570947	/nfs/dbraw/zinc/57/09/47/428570947.db2.gz	DJKAYICKDLGJCN-RTBURBONSA-N	0	3	313.445	2.691	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000404767833	428571803	/nfs/dbraw/zinc/57/18/03/428571803.db2.gz	TZLMMIWJWZWXCF-CQSZACIVSA-N	0	3	319.380	2.796	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000361495046	428573440	/nfs/dbraw/zinc/57/34/40/428573440.db2.gz	BQQXNOHTJKPRBJ-FUHWJXTLSA-N	0	3	313.445	2.610	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCCCC1)C1CCC(F)(F)CC1	ZINC000347596403	428617482	/nfs/dbraw/zinc/61/74/82/428617482.db2.gz	IMLIZNRCCDSXLV-UHFFFAOYSA-N	0	3	313.392	2.839	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C	ZINC000347613004	428621136	/nfs/dbraw/zinc/62/11/36/428621136.db2.gz	ZXNDYJLIBFGXMS-SCTDSRPQSA-N	0	3	302.462	2.908	20	30		DFEDHN
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(C)C#N)cc1	ZINC000347719821	428621402	/nfs/dbraw/zinc/62/14/02/428621402.db2.gz	HZBYQNBYOCGMKA-NVXWUHKLSA-N	0	3	300.402	2.705	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OCC)C12CCCC2	ZINC000347697057	428623377	/nfs/dbraw/zinc/62/33/77/428623377.db2.gz	XSWVABRALKYUMM-CVEARBPZSA-N	0	3	306.450	2.514	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C(C)(C)C)[C@H](O)C1	ZINC000347789097	428625401	/nfs/dbraw/zinc/62/54/01/428625401.db2.gz	SHLBHTLZGDGYLL-HRCADAONSA-N	0	3	310.482	2.528	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C2CC2)C1	ZINC000347902521	428629200	/nfs/dbraw/zinc/62/92/00/428629200.db2.gz	HSHOYGOMZMWCTP-HNNXBMFYSA-N	0	3	300.402	2.560	20	30		DFEDHN
CN(CCC#N)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415953623	428635251	/nfs/dbraw/zinc/63/52/51/428635251.db2.gz	ISXCBLIBCHOXQJ-UHFFFAOYSA-N	0	3	300.284	2.541	20	30		DFEDHN
Cc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000348194425	428650078	/nfs/dbraw/zinc/65/00/78/428650078.db2.gz	RHXPATQJRPPLCB-IBGZPJMESA-N	0	3	317.392	2.908	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC(C)CC1	ZINC000177894745	274222499	/nfs/dbraw/zinc/22/24/99/274222499.db2.gz	MRFSJUVKBDBPLV-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
Cc1nc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348205112	428655870	/nfs/dbraw/zinc/65/58/70/428655870.db2.gz	IRURBZNFFZZNJS-IAQYHMDHSA-N	0	3	324.409	2.883	20	30		DFEDHN
Cc1csc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000348212424	428659435	/nfs/dbraw/zinc/65/94/35/428659435.db2.gz	WNBAAZMRCASOFL-DOMZBBRYSA-N	0	3	324.409	2.883	20	30		DFEDHN
C[C@@H]1CCC[C@H](CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000092800808	274296794	/nfs/dbraw/zinc/29/67/94/274296794.db2.gz	JDXYRZSAGOSFPA-PMPSAXMXSA-N	0	3	313.449	2.685	20	30		DFEDHN
O[C@@H]1CCOC[C@H]1[C@H]1CCCN1CC#Cc1ccc(Cl)cc1	ZINC000374072500	428661871	/nfs/dbraw/zinc/66/18/71/428661871.db2.gz	QKYIISRKTMGEQN-RCCFBDPRSA-N	0	3	319.832	2.553	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1	ZINC000374303397	428672068	/nfs/dbraw/zinc/67/20/68/428672068.db2.gz	UJRMKEMPOYVFQL-KRWDZBQOSA-N	0	3	307.397	2.868	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC([C@@H]2CCOC2)CC1	ZINC000374634010	428719219	/nfs/dbraw/zinc/71/92/19/428719219.db2.gz	XXIGBGRWZISZMA-QGZVFWFLSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000362391984	428728257	/nfs/dbraw/zinc/72/82/57/428728257.db2.gz	ZXWGUIGRLYNQAF-CYBMUJFWSA-N	0	3	302.443	2.931	20	30		DFEDHN
CC(=O)c1ccc2c(c1)CCN(CCCSCC#N)CC2	ZINC000374381485	428677466	/nfs/dbraw/zinc/67/74/66/428677466.db2.gz	VAOYVQPCIQEXDB-UHFFFAOYSA-N	0	3	302.443	2.937	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(c3ccc(F)cc3)CC2)CC1	ZINC000358822632	428692989	/nfs/dbraw/zinc/69/29/89/428692989.db2.gz	ZHLPJRFCRGSPTE-UHFFFAOYSA-N	0	3	317.408	2.764	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@]1(CO)C[C@H](C)CC(C)(C)C1	ZINC000348485344	428757275	/nfs/dbraw/zinc/75/72/75/428757275.db2.gz	QQYWIWCOQZHNNB-CRAIPNDOSA-N	0	3	310.482	2.578	20	30		DFEDHN
CC(C)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348484027	428757402	/nfs/dbraw/zinc/75/74/02/428757402.db2.gz	KMHGMDMCZTVGQN-KGLIPLIRSA-N	0	3	323.318	2.944	20	30		DFEDHN
CC[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1C[C@H](C)O	ZINC000411235754	428764236	/nfs/dbraw/zinc/76/42/36/428764236.db2.gz	GSIWZHMOSULVSH-DLBZAZTESA-N	0	3	307.482	2.628	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCC[C@@H]2OCc2ccccc2)C1=O	ZINC000348520515	428766212	/nfs/dbraw/zinc/76/62/12/428766212.db2.gz	KFEJEGTYTVHWGV-SQNIBIBYSA-N	0	3	314.429	2.501	20	30		DFEDHN
CCN1CCN(Cc2cccc(OCCCC#N)c2)[C@@H](C)C1	ZINC000348551235	428786527	/nfs/dbraw/zinc/78/65/27/428786527.db2.gz	JNRKBUABKXSBEK-INIZCTEOSA-N	0	3	301.434	2.895	20	30		DFEDHN
N#CC[C@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1	ZINC000353826598	428736987	/nfs/dbraw/zinc/73/69/87/428736987.db2.gz	NGBLHCXMYFRHDI-MRXNPFEDSA-N	0	3	311.429	2.817	20	30		DFEDHN
N#CC1(CCN2CCC(NC(=O)C3CC3)CC2)CCCCC1	ZINC000411167130	428750997	/nfs/dbraw/zinc/75/09/97/428750997.db2.gz	NDGPQUOZDZPHLB-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
CN1CC[C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C[C@@H]21	ZINC000375040010	428798703	/nfs/dbraw/zinc/79/87/03/428798703.db2.gz	OHLPNFZVCPCRFK-JQWIXIFHSA-N	0	3	310.323	2.502	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000362703090	428802589	/nfs/dbraw/zinc/80/25/89/428802589.db2.gz	HCUOBLFEBCFBJY-YQQAZPJKSA-N	0	3	301.434	2.771	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1	ZINC000359104628	428818628	/nfs/dbraw/zinc/81/86/28/428818628.db2.gz	RTYXPCJHLNUNTD-GASCZTMLSA-N	0	3	302.418	2.740	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)NCC#Cc1ccccc1	ZINC000416938818	428825203	/nfs/dbraw/zinc/82/52/03/428825203.db2.gz	BLOVIZICTNSFCC-IBGZPJMESA-N	0	3	321.424	2.600	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)ccc1F	ZINC000411635261	428829185	/nfs/dbraw/zinc/82/91/85/428829185.db2.gz	BKMGYDYVTHWWNP-UHFFFAOYSA-N	0	3	308.397	2.552	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(C)cc1F	ZINC000411643684	428831591	/nfs/dbraw/zinc/83/15/91/428831591.db2.gz	PQGJETVYYBMUOS-OAHLLOKOSA-N	0	3	321.440	2.901	20	30		DFEDHN
CN(CCN1CCOC(C)(C)C1)CCC1(C#N)CCCCC1	ZINC000411684491	428838247	/nfs/dbraw/zinc/83/82/47/428838247.db2.gz	INYFCVVIYKHPDP-UHFFFAOYSA-N	0	3	307.482	2.893	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC2(CCOCC2)CC1	ZINC000375272522	428839975	/nfs/dbraw/zinc/83/99/75/428839975.db2.gz	PICULXONSOLXNV-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
N#Cc1ccc(OCCN2C[C@@H](O)C[C@H]2c2ccccc2)cc1	ZINC000411960693	428893463	/nfs/dbraw/zinc/89/34/63/428893463.db2.gz	ZFSHAEVZFXYPFG-HKUYNNGSSA-N	0	3	308.381	2.745	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@H](C)N(CCC)C1=O)C(C)C	ZINC000349038753	428904257	/nfs/dbraw/zinc/90/42/57/428904257.db2.gz	DBOVPLKVBFTYKQ-JKSUJKDBSA-N	0	3	321.465	2.748	20	30		DFEDHN
CCCC[C@H](N[C@H]1CC[C@@H](CC#N)C1)C(=O)Nc1cc(C)on1	ZINC000419259063	428929596	/nfs/dbraw/zinc/92/95/96/428929596.db2.gz	KPYROYMCZGOQQZ-KKUMJFAQSA-N	0	3	318.421	3.152	20	30		DFEDHN
CC(C)(C)OC(=O)CC[C@H]1CCCN(CCOCCC#N)C1	ZINC000412062575	428936415	/nfs/dbraw/zinc/93/64/15/428936415.db2.gz	IIOQDJLZIHWDQJ-OAHLLOKOSA-N	0	3	310.438	2.751	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000349252428	428949808	/nfs/dbraw/zinc/94/98/08/428949808.db2.gz	MKJHADNUIRAVLU-CJNGLKHVSA-N	0	3	304.353	2.513	20	30		DFEDHN
Cc1cnn(C)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000420269436	428951927	/nfs/dbraw/zinc/95/19/27/428951927.db2.gz	HYWQMHKUILQAFU-JTQLQIEISA-N	0	3	308.263	2.632	20	30		DFEDHN
Cc1cnn(C)c1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000420269436	428951932	/nfs/dbraw/zinc/95/19/32/428951932.db2.gz	HYWQMHKUILQAFU-JTQLQIEISA-N	0	3	308.263	2.632	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000420256411	428952941	/nfs/dbraw/zinc/95/29/41/428952941.db2.gz	COONJKJCUHSWRR-CYBMUJFWSA-N	0	3	301.287	2.715	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1ccc(C#N)s1	ZINC000420788836	428963258	/nfs/dbraw/zinc/96/32/58/428963258.db2.gz	LKCWMCVFPXGPSK-CHWSQXEVSA-N	0	3	320.462	2.682	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412153780	428966134	/nfs/dbraw/zinc/96/61/34/428966134.db2.gz	GUIISFSGJJHBCF-OKZBNKHCSA-N	0	3	311.429	2.604	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](C)[C@H](O)C2)ccc1OC	ZINC000349346214	428966100	/nfs/dbraw/zinc/96/61/00/428966100.db2.gz	JTKDYXCHBGWTPC-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
Cn1nccc1[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000375771634	428967435	/nfs/dbraw/zinc/96/74/35/428967435.db2.gz	IJSWOJTWHUQYLD-QGZVFWFLSA-N	0	3	324.428	2.940	20	30		DFEDHN
CC1(C#N)CCN(Cc2ccc(CN3CCOCC3)cc2)CC1	ZINC000420929933	428972580	/nfs/dbraw/zinc/97/25/80/428972580.db2.gz	FBIKCXAHFOQFSH-UHFFFAOYSA-N	0	3	313.445	2.644	20	30		DFEDHN
CC#CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000355167159	429031721	/nfs/dbraw/zinc/03/17/21/429031721.db2.gz	RIOFBBGLLURMRF-NVXWUHKLSA-N	0	3	301.434	2.699	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCCC2)C1	ZINC000420966824	428973992	/nfs/dbraw/zinc/97/39/92/428973992.db2.gz	WIKOHSHQAGGOKI-UWWQBHOKSA-N	0	3	305.466	2.941	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCCC2)C1	ZINC000420966821	428975332	/nfs/dbraw/zinc/97/53/32/428975332.db2.gz	WIKOHSHQAGGOKI-HFTRVMKXSA-N	0	3	305.466	2.941	20	30		DFEDHN
C[C@H]1CN(C(C)(C)CNCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000421333716	428989370	/nfs/dbraw/zinc/98/93/70/428989370.db2.gz	OTBKFSXYVOBEFA-KBPBESRZSA-N	0	3	319.424	2.675	20	30		DFEDHN
CCCN(CC(=O)N(CC)CCC#N)[C@H]1C[C@H](OCC)C1(C)C	ZINC000354467272	428989397	/nfs/dbraw/zinc/98/93/97/428989397.db2.gz	WVKWLNQKVCUYBK-HOTGVXAUSA-N	0	3	323.481	2.664	20	30		DFEDHN
COc1cc(C(=O)C(C#N)c2ccncn2)ccc1OC(F)F	ZINC000354475792	428990071	/nfs/dbraw/zinc/99/00/71/428990071.db2.gz	RRXSDSDZPFEDDF-JTQLQIEISA-N	0	3	319.267	2.577	20	30		DFEDHN
N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccncn1	ZINC000354482359	428990309	/nfs/dbraw/zinc/99/03/09/428990309.db2.gz	ZQXOSHBXHSBWHD-HNNXBMFYSA-N	0	3	316.320	2.526	20	30		DFEDHN
C[C@H](NCC1CCN(c2ccccc2C#N)CC1)c1ncc[nH]1	ZINC000375839136	428993955	/nfs/dbraw/zinc/99/39/55/428993955.db2.gz	LOUIXAQKCPZBBG-AWEZNQCLSA-N	0	3	309.417	2.849	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1C[C@@H](OC)C12CCC2	ZINC000451850329	428996067	/nfs/dbraw/zinc/99/60/67/428996067.db2.gz	LNJJCQGICFZYPX-IAGOWNOFSA-N	0	3	300.402	2.956	20	30		DFEDHN
CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424085914	429090003	/nfs/dbraw/zinc/09/00/03/429090003.db2.gz	CXNBDRGQYHMOBB-XJKSGUPXSA-N	0	3	303.406	2.672	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl	ZINC000424104019	429091282	/nfs/dbraw/zinc/09/12/82/429091282.db2.gz	OABUJSQHEFWQQH-GDBMZVCRSA-N	0	3	319.836	2.895	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCc2cc(OC(F)F)ccc21	ZINC000424102274	429091746	/nfs/dbraw/zinc/09/17/46/429091746.db2.gz	OKEFTYDMKVAPFD-CYBMUJFWSA-N	0	3	323.343	2.588	20	30		DFEDHN
COc1ccc(C2(NC(=O)[C@H](N)CCCC#N)CCCC2)cc1	ZINC000424112617	429092282	/nfs/dbraw/zinc/09/22/82/429092282.db2.gz	KRDUGDHWMWZLAN-MRXNPFEDSA-N	0	3	315.417	2.602	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1	ZINC000424116062	429092841	/nfs/dbraw/zinc/09/28/41/429092841.db2.gz	WRKNMHMRRPXMJE-CQSZACIVSA-N	0	3	305.809	2.509	20	30		DFEDHN
CC(C)COc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424125347	429093740	/nfs/dbraw/zinc/09/37/40/429093740.db2.gz	QTIWPYYQPGFBSM-WMLDXEAASA-N	0	3	317.433	2.920	20	30		DFEDHN
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424125965	429094696	/nfs/dbraw/zinc/09/46/96/429094696.db2.gz	OJSOGFQMRUJOBN-UHOFOFEASA-N	0	3	303.381	2.756	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1	ZINC000424135331	429096429	/nfs/dbraw/zinc/09/64/29/429096429.db2.gz	JHCMOUIYVTWUKG-CVEARBPZSA-N	0	3	303.381	2.804	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCC1(O)CCC1	ZINC000421994010	429046111	/nfs/dbraw/zinc/04/61/11/429046111.db2.gz	NWODAWVBLKYCRB-INIZCTEOSA-N	0	3	300.402	2.570	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)C2CC(OC(C)(C)C)C2)CC1	ZINC000422155598	429049005	/nfs/dbraw/zinc/04/90/05/429049005.db2.gz	DKKYMETYQQYLMY-UHFFFAOYSA-N	0	3	323.481	2.624	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453364275	429147959	/nfs/dbraw/zinc/14/79/59/429147959.db2.gz	RDVWZPQPVSQEHO-TZMCWYRMSA-N	0	3	308.378	2.971	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000424510891	429148808	/nfs/dbraw/zinc/14/88/08/429148808.db2.gz	UPLUITKDUUQHIQ-BDXSIMOUSA-N	0	3	314.429	2.529	20	30		DFEDHN
C=CCn1c(N(C)[C@H]2CCN(C(C)C)C2)nnc1C(C)(C)C	ZINC000453446864	429149376	/nfs/dbraw/zinc/14/93/76/429149376.db2.gz	OPPQDJRFMFYXRY-AWEZNQCLSA-N	0	3	305.470	2.681	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCCN(C(C)C)CC1	ZINC000453455926	429149917	/nfs/dbraw/zinc/14/99/17/429149917.db2.gz	UJDURARIFPQVOE-UHFFFAOYSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453459550	429151349	/nfs/dbraw/zinc/15/13/49/429151349.db2.gz	CVJNIVOGWGJCFI-HNNXBMFYSA-N	0	3	317.481	2.727	20	30		DFEDHN
COCCN(Cc1c(C)nn(C)c1C)CC(C)(C)CCC#N	ZINC000453604116	429152428	/nfs/dbraw/zinc/15/24/28/429152428.db2.gz	BRVCCVMNHNKNHO-UHFFFAOYSA-N	0	3	306.454	2.815	20	30		DFEDHN
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424142695	429099188	/nfs/dbraw/zinc/09/91/88/429099188.db2.gz	VPSUBUHTYQPSST-RYUDHWBXSA-N	0	3	316.430	2.837	20	30		DFEDHN
Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](N)CCCC#N	ZINC000424139635	429099368	/nfs/dbraw/zinc/09/93/68/429099368.db2.gz	ROHQVEWUZASZMR-OAHLLOKOSA-N	0	3	300.406	2.555	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccccn2)n1	ZINC000424170062	429105329	/nfs/dbraw/zinc/10/53/29/429105329.db2.gz	INQLSUNITLXSIW-WFASDCNBSA-N	0	3	301.415	2.886	20	30		DFEDHN
CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](N)CCCC#N)CCC2	ZINC000424176755	429106173	/nfs/dbraw/zinc/10/61/73/429106173.db2.gz	SPCFYOLPDPUMMB-WCQYABFASA-N	0	3	320.462	2.562	20	30		DFEDHN
Cc1cc(CN)cc(NC(=O)NCC2CCC(C#N)CC2)c1	ZINC000424425630	429140385	/nfs/dbraw/zinc/14/03/85/429140385.db2.gz	KHHFNCHHYGMYAZ-UHFFFAOYSA-N	0	3	300.406	2.905	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccsc1	ZINC000487193626	429140675	/nfs/dbraw/zinc/14/06/75/429140675.db2.gz	ZPQUJTVMRDNPJG-GDBMZVCRSA-N	0	3	314.410	2.670	20	30		DFEDHN
C=CCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CCOCC1	ZINC000424606089	429162425	/nfs/dbraw/zinc/16/24/25/429162425.db2.gz	JFJJPWWQBRDVKN-JKSUJKDBSA-N	0	3	308.466	2.596	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)NCCCC#N)CC1	ZINC000454790215	429172191	/nfs/dbraw/zinc/17/21/91/429172191.db2.gz	QGJGDJFSZDDIQR-UHFFFAOYSA-N	0	3	308.470	2.832	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000454788564	429172284	/nfs/dbraw/zinc/17/22/84/429172284.db2.gz	BEHWALYCFLSYEN-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC1CC(C)(F)C1)C(C)C	ZINC000455143739	429181167	/nfs/dbraw/zinc/18/11/67/429181167.db2.gz	QNZIZONVFUQKBZ-CKDBGZEDSA-N	0	3	311.445	2.875	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000488574416	429184887	/nfs/dbraw/zinc/18/48/87/429184887.db2.gz	HLXGJIGOGCMSAS-KRWDZBQOSA-N	0	3	309.413	2.678	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000455521302	429189969	/nfs/dbraw/zinc/18/99/69/429189969.db2.gz	KLMKLRVETXGSFC-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
CCN1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000455581101	429191524	/nfs/dbraw/zinc/19/15/24/429191524.db2.gz	XHDZGTQKFRTQLV-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
C[C@@H]1CN(c2nccc(C#N)c2Cl)CCN(C2CCC2)C1	ZINC000488730923	429193547	/nfs/dbraw/zinc/19/35/47/429193547.db2.gz	KWRPFWVPQCYQRX-LBPRGKRZSA-N	0	3	304.825	2.917	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccncc1C#N	ZINC000364382603	429195017	/nfs/dbraw/zinc/19/50/17/429195017.db2.gz	YEGVETWWHPYFBQ-MAUKXSAKSA-N	0	3	306.413	2.698	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccncc1C#N	ZINC000364382606	429195251	/nfs/dbraw/zinc/19/52/51/429195251.db2.gz	YEGVETWWHPYFBQ-YJBOKZPZSA-N	0	3	306.413	2.698	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000488927068	429206297	/nfs/dbraw/zinc/20/62/97/429206297.db2.gz	CFKONHXGRQXBLI-SJLPKXTDSA-N	0	3	323.440	2.924	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000488927067	429207688	/nfs/dbraw/zinc/20/76/88/429207688.db2.gz	CFKONHXGRQXBLI-FUHWJXTLSA-N	0	3	323.440	2.924	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(C#N)ccc2F)C1	ZINC000495482883	429213087	/nfs/dbraw/zinc/21/30/87/429213087.db2.gz	YUJUUZUOFMAUCN-TZMCWYRMSA-N	0	3	319.380	2.654	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)CC(C)C)c1	ZINC000455980300	429227725	/nfs/dbraw/zinc/22/77/25/429227725.db2.gz	FJFXOTRAFXXEBU-UHFFFAOYSA-N	0	3	302.422	2.918	20	30		DFEDHN
C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC[C@H](C)C1	ZINC000440998954	429229021	/nfs/dbraw/zinc/22/90/21/429229021.db2.gz	NYAKSYHXOHINIC-NJINODPHSA-N	0	3	320.481	2.736	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC[C@@H](C)C1	ZINC000440998956	429229103	/nfs/dbraw/zinc/22/91/03/429229103.db2.gz	NYAKSYHXOHINIC-XNIRIUNOSA-N	0	3	320.481	2.736	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCCC[C@@H]1C	ZINC000441004109	429230060	/nfs/dbraw/zinc/23/00/60/429230060.db2.gz	ZGLYZGMUZZANED-JUVOFCAFSA-N	0	3	320.481	2.878	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(OC(=O)N(C)C)CC1	ZINC000495598481	429230473	/nfs/dbraw/zinc/23/04/73/429230473.db2.gz	RPYABEWHQWPLOU-ZDUSSCGKSA-N	0	3	301.390	2.782	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2ncc(C#N)cc2Cl)C[C@@H](C)C1	ZINC000488757860	429197431	/nfs/dbraw/zinc/19/74/31/429197431.db2.gz	ISHHDUPTDMRVMA-SLEUVZQESA-N	0	3	304.825	2.773	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3(CCC3)[C@H]2C(C)C)CC1	ZINC000488798207	429198780	/nfs/dbraw/zinc/19/87/80/429198780.db2.gz	JHCDPMXAQVVUIZ-MRXNPFEDSA-N	0	3	305.466	2.857	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455729446	429204486	/nfs/dbraw/zinc/20/44/86/429204486.db2.gz	JMHXGZKZQSSKQA-UHFFFAOYSA-N	0	3	320.824	2.964	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H]2CC2(C)C)c(OC)c1	ZINC000489416833	429239860	/nfs/dbraw/zinc/23/98/60/429239860.db2.gz	WWWWZQCBEXQTGY-MAUKXSAKSA-N	0	3	319.445	2.894	20	30		DFEDHN
C=CCOCCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000495652965	429240515	/nfs/dbraw/zinc/24/05/15/429240515.db2.gz	QQHGHNFKDQYAPA-CQSZACIVSA-N	0	3	312.454	2.814	20	30		DFEDHN
C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCCO1	ZINC000364651557	429241282	/nfs/dbraw/zinc/24/12/82/429241282.db2.gz	QKZKVZSDEIUUIZ-GUYCJALGSA-N	0	3	310.401	2.616	20	30		DFEDHN
C=CCOCCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000495662809	429241860	/nfs/dbraw/zinc/24/18/60/429241860.db2.gz	XACJSRBGMGZGRH-HUUCEWRRSA-N	0	3	310.438	2.520	20	30		DFEDHN
Cc1cccnc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000456114433	429243401	/nfs/dbraw/zinc/24/34/01/429243401.db2.gz	AKMJDKDEKHWHDX-KRWDZBQOSA-N	0	3	307.397	2.821	20	30		DFEDHN
CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C	ZINC000456142529	429249270	/nfs/dbraw/zinc/24/92/70/429249270.db2.gz	NNQISGHEPUYSSD-DJIMGWMZSA-N	0	3	300.402	2.642	20	30		DFEDHN
C=C(C)CCN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495799523	429267226	/nfs/dbraw/zinc/26/72/26/429267226.db2.gz	HQLNCJYLNDVLPH-HUUCEWRRSA-N	0	3	310.438	2.663	20	30		DFEDHN
C=CCn1cc(CNC[C@@H](C)Cc2ccc(OC)c(F)c2)nn1	ZINC000425345748	429271524	/nfs/dbraw/zinc/27/15/24/429271524.db2.gz	AQONADIWOFMSGA-ZDUSSCGKSA-N	0	3	318.396	2.580	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)NCCCC(=O)OCC)CCCC1(C)C	ZINC000444786656	429277647	/nfs/dbraw/zinc/27/76/47/429277647.db2.gz	OKWWWRXGLZKXPE-HNNXBMFYSA-N	0	3	324.465	2.513	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000448810934	429318882	/nfs/dbraw/zinc/31/88/82/429318882.db2.gz	OLBFHYWZUANPQG-AYBZRNKSSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(C(F)(F)F)CCC2)CC1	ZINC000448924812	429322264	/nfs/dbraw/zinc/32/22/64/429322264.db2.gz	ZPKLUHGAOKVNMP-UHFFFAOYSA-N	0	3	304.356	2.876	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@H](CC)c1ccc(C#N)cc1)CC2	ZINC000365487237	429327686	/nfs/dbraw/zinc/32/76/86/429327686.db2.gz	BZALIOHSBACOLL-HZPDHXFCSA-N	0	3	309.417	2.768	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](Cc1ccccc1)c1cccs1	ZINC000491165689	429329314	/nfs/dbraw/zinc/32/93/14/429329314.db2.gz	MXNJHOCQKDDVAO-MRXNPFEDSA-N	0	3	312.438	2.761	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H](C)C1	ZINC000491149950	429329898	/nfs/dbraw/zinc/32/98/98/429329898.db2.gz	RWUTUNFLQXTKRM-ARFHVFGLSA-N	0	3	320.481	2.688	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(Cl)c2ncccc12	ZINC000491308822	429347706	/nfs/dbraw/zinc/34/77/06/429347706.db2.gz	WGOKCSZBZBFXCK-UHFFFAOYSA-N	0	3	315.804	2.573	20	30		DFEDHN
C#CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000491308115	429346101	/nfs/dbraw/zinc/34/61/01/429346101.db2.gz	SSFOIUUEJABQTR-HNNXBMFYSA-N	0	3	319.474	2.796	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000491307591	429346324	/nfs/dbraw/zinc/34/63/24/429346324.db2.gz	QXAQLIQTPKOABE-NVXWUHKLSA-N	0	3	301.434	2.733	20	30		DFEDHN
N#Cc1cccc(OCCN[C@@H]2c3ccccc3CC[C@@H]2CO)c1	ZINC000365266167	429290509	/nfs/dbraw/zinc/29/05/09/429290509.db2.gz	LUFQQTIZKYHEQJ-XLIONFOSSA-N	0	3	322.408	2.823	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000490555377	429292460	/nfs/dbraw/zinc/29/24/60/429292460.db2.gz	DYQZBXIMIYQORU-UHFFFAOYSA-N	0	3	308.328	2.572	20	30		DFEDHN
Cc1ccccc1CN1CCCN(Cc2cc(C#N)n(C)c2)CC1	ZINC000365275732	429293922	/nfs/dbraw/zinc/29/39/22/429293922.db2.gz	PDKLOLMRFFTQGN-UHFFFAOYSA-N	0	3	322.456	2.913	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCC2(C#N)CCC2)C1	ZINC000495939924	429296512	/nfs/dbraw/zinc/29/65/12/429296512.db2.gz	FKFYZPIMSYKCKC-GUYCJALGSA-N	0	3	305.422	2.527	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC3(C2)CCCCC3)c1	ZINC000365318544	429301490	/nfs/dbraw/zinc/30/14/90/429301490.db2.gz	JTIKKDQNRRLAJF-UHFFFAOYSA-N	0	3	311.429	2.831	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000490739122	429304041	/nfs/dbraw/zinc/30/40/41/429304041.db2.gz	GSFXLBZMRPUGFO-QZTJIDSGSA-N	0	3	313.445	2.610	20	30		DFEDHN
CCCCCCCCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1	ZINC000365339655	429304713	/nfs/dbraw/zinc/30/47/13/429304713.db2.gz	UHXULCCCFAXOOK-GOSISDBHSA-N	0	3	323.525	2.975	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1	ZINC000496121024	429309338	/nfs/dbraw/zinc/30/93/38/429309338.db2.gz	IALYXWHUPUHVBD-FXUDXRNXSA-N	0	3	319.449	2.867	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000186375095	275591715	/nfs/dbraw/zinc/59/17/15/275591715.db2.gz	YDHNGBFVVSYSIL-IRXDYDNUSA-N	0	3	315.417	2.680	20	30		DFEDHN
C#C[C@@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000491727183	429396896	/nfs/dbraw/zinc/39/68/96/429396896.db2.gz	LFWZTOYAKIFQAX-IUODEOHRSA-N	0	3	303.362	2.559	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000365897887	429398954	/nfs/dbraw/zinc/39/89/54/429398954.db2.gz	ZKLNONPPRJBVGZ-CYBMUJFWSA-N	0	3	323.334	2.503	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000457100222	429401673	/nfs/dbraw/zinc/40/16/73/429401673.db2.gz	WGMZFYGQVSYKAA-QZTJIDSGSA-N	0	3	313.445	2.700	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000491752256	429403498	/nfs/dbraw/zinc/40/34/98/429403498.db2.gz	LWRHINHKRMXRHN-XYJFISCASA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2COC)CC1	ZINC000491773992	429405672	/nfs/dbraw/zinc/40/56/72/429405672.db2.gz	CFBKLOIXNRAXNI-UHFFFAOYSA-N	0	3	320.820	2.770	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(CC)[C@@H](C)c1ccc(F)cc1	ZINC000491765494	429405792	/nfs/dbraw/zinc/40/57/92/429405792.db2.gz	DJLLCFZEFZQHGM-HNNXBMFYSA-N	0	3	319.424	2.873	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000491782095	429407693	/nfs/dbraw/zinc/40/76/93/429407693.db2.gz	MWGGTDNFZRUITB-MRXNPFEDSA-N	0	3	313.445	2.623	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1C#N	ZINC000449413164	429408160	/nfs/dbraw/zinc/40/81/60/429408160.db2.gz	QJEDEVSCVMDWHO-MRXNPFEDSA-N	0	3	313.445	2.980	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1nc2ccccc2cc1Cl	ZINC000491783836	429409001	/nfs/dbraw/zinc/40/90/01/429409001.db2.gz	KEXGPZHSWWTEKM-UHFFFAOYSA-N	0	3	315.804	2.573	20	30		DFEDHN
CC(C)(O)C(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000456794695	429350423	/nfs/dbraw/zinc/35/04/23/429350423.db2.gz	HQZYWVVLIGUOPF-OAHLLOKOSA-N	0	3	302.418	2.672	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	ZINC000491396429	429356529	/nfs/dbraw/zinc/35/65/29/429356529.db2.gz	YDEZPYPMSYTGPN-QWHCGFSZSA-N	0	3	322.811	2.654	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000514798064	429372351	/nfs/dbraw/zinc/37/23/51/429372351.db2.gz	GRVABMXNRHMIPS-DOTOQJQBSA-N	0	3	321.428	2.838	20	30		DFEDHN
N#CC1(C(=O)N2CCc3c2cccc3CN2CCCC2)CCC1	ZINC000365824930	429379070	/nfs/dbraw/zinc/37/90/70/429379070.db2.gz	MDYOMUAJMJCWPP-UHFFFAOYSA-N	0	3	309.413	2.865	20	30		DFEDHN
COC(=O)c1cccc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1C#N	ZINC000516395693	429380287	/nfs/dbraw/zinc/38/02/87/429380287.db2.gz	CJPFSTHBIQQRAR-RCPOKICQSA-N	0	3	322.408	2.989	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000491642652	429383668	/nfs/dbraw/zinc/38/36/68/429383668.db2.gz	XXRSLMZSYGAPPR-RDJZCZTQSA-N	0	3	313.445	2.923	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1cc(C#N)ccc1Cl	ZINC000457045254	429384399	/nfs/dbraw/zinc/38/43/99/429384399.db2.gz	AHUDPUPPIPJCAC-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccncc1Oc1ccccc1	ZINC000491672260	429389405	/nfs/dbraw/zinc/38/94/05/429389405.db2.gz	XZLKBUCGQSIKCF-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000449516844	429441560	/nfs/dbraw/zinc/44/15/60/429441560.db2.gz	CSRJITZSXXOYBE-CVEARBPZSA-N	0	3	316.401	2.811	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/Sc2ccccc2)CC1	ZINC000492054940	429458738	/nfs/dbraw/zinc/45/87/38/429458738.db2.gz	APFYZDGBAATUIM-RVDMUPIBSA-N	0	3	314.454	2.896	20	30		DFEDHN
Cc1nn(C)cc1[C@H]1CCCN1CCOc1cccc(C#N)c1	ZINC000366092951	429417504	/nfs/dbraw/zinc/41/75/04/429417504.db2.gz	GQLOSIFQYLCKGU-GOSISDBHSA-N	0	3	310.401	2.816	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cnc(-c2ccccc2OC)nc1	ZINC000449694085	429480252	/nfs/dbraw/zinc/48/02/52/429480252.db2.gz	APIILJHUCAMNPY-HNNXBMFYSA-N	0	3	313.401	2.569	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C\c1cccc(C#N)c1	ZINC000492297017	429505716	/nfs/dbraw/zinc/50/57/16/429505716.db2.gz	QFNIEAMAUVPLOT-ZPIQOJFGSA-N	0	3	311.429	2.760	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNc2ncncc2C#N)N(C)C)cc1	ZINC000520400747	429513183	/nfs/dbraw/zinc/51/31/83/429513183.db2.gz	QWPMSACSPBWIAW-SFHVURJKSA-N	0	3	323.444	2.683	20	30		DFEDHN
Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ncc1C#N	ZINC000457725722	429515514	/nfs/dbraw/zinc/51/55/14/429515514.db2.gz	ZKGSTLHCFZXCLV-HNNXBMFYSA-N	0	3	322.412	2.512	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](O)CN2CCC(C)CC2)CCCCC1	ZINC000449847550	429524788	/nfs/dbraw/zinc/52/47/88/429524788.db2.gz	BGIQMBLYECKWSM-KRWDZBQOSA-N	0	3	322.493	2.722	20	30		DFEDHN
C[C@H]1[C@H](NCc2cccc(C#N)c2)CC(=O)N1Cc1ccccc1	ZINC000366997874	429554008	/nfs/dbraw/zinc/55/40/08/429554008.db2.gz	OLOAGXIQFNYHLY-HNAYVOBHSA-N	0	3	319.408	2.837	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(C(C)C)nc3ncnn32)CC1	ZINC000521575112	429556824	/nfs/dbraw/zinc/55/68/24/429556824.db2.gz	PKMXMRMDTXMHAQ-UHFFFAOYSA-N	0	3	314.437	2.700	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000450065355	429563114	/nfs/dbraw/zinc/56/31/14/429563114.db2.gz	ITRZKAQHAKLHBY-HZPDHXFCSA-N	0	3	322.493	2.937	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000450108300	429568285	/nfs/dbraw/zinc/56/82/85/429568285.db2.gz	USMFBTGAEWGBSN-DYVFJYSZSA-N	0	3	322.412	2.588	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2cc(F)c(F)c(F)c2)CC1	ZINC000492619667	429580148	/nfs/dbraw/zinc/58/01/48/429580148.db2.gz	QUUYRAJHHDNXCV-ARJAWSKDSA-N	0	3	324.346	2.884	20	30		DFEDHN
C=CCNC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000522226014	429584765	/nfs/dbraw/zinc/58/47/65/429584765.db2.gz	VKRUUHALWUYKGA-KRWDZBQOSA-N	0	3	315.461	2.945	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000457822448	429534789	/nfs/dbraw/zinc/53/47/89/429534789.db2.gz	JDMDPNLRAKYWDT-RHSMWYFYSA-N	0	3	314.433	2.743	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2ccncc2C#N)CC1	ZINC000366942579	429543580	/nfs/dbraw/zinc/54/35/80/429543580.db2.gz	FFWWUOIRDYATOD-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2c1	ZINC000366957668	429546908	/nfs/dbraw/zinc/54/69/08/429546908.db2.gz	DXFGBVLMNQEUTN-RCCFBDPRSA-N	0	3	324.428	2.721	20	30		DFEDHN
CC[C@H](c1ccccc1[O-])[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000367322415	429621709	/nfs/dbraw/zinc/62/17/09/429621709.db2.gz	RGHMCTIOHHATTJ-OAHLLOKOSA-N	0	3	311.389	2.644	20	30		DFEDHN
N#Cc1ncn(C2CCN(Cc3ccc4occc4c3)CC2)n1	ZINC000367320996	429621775	/nfs/dbraw/zinc/62/17/75/429621775.db2.gz	BURBJHATSWKUPZ-UHFFFAOYSA-N	0	3	307.357	2.733	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2Cc3cccc(F)c3C2)CC1	ZINC000458332350	429622289	/nfs/dbraw/zinc/62/22/89/429622289.db2.gz	JJQCCRSWXFEFAB-UHFFFAOYSA-N	0	3	303.381	2.501	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2Cc3cccc(F)c3C2)CC1	ZINC000458324772	429622310	/nfs/dbraw/zinc/62/23/10/429622310.db2.gz	RPHMITOUOBTFNN-UHFFFAOYSA-N	0	3	317.408	2.891	20	30		DFEDHN
N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCNC(=O)CC1	ZINC000450453651	429630093	/nfs/dbraw/zinc/63/00/93/429630093.db2.gz	PXQYJPDCIGNLKH-KBAYOESNSA-N	0	3	311.429	2.674	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCCN(CC3CCCCC3)CC2)o1	ZINC000429814400	429634547	/nfs/dbraw/zinc/63/45/47/429634547.db2.gz	ZZIDYGFQLIAEKB-UHFFFAOYSA-N	0	3	315.417	2.879	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000492902207	429640472	/nfs/dbraw/zinc/64/04/72/429640472.db2.gz	XTLFDDRQCVIRHC-ZBTGYSDGSA-N	0	3	323.440	2.904	20	30		DFEDHN
Cc1n[nH]cc1C1CCN(CCOc2ccccc2C#N)CC1	ZINC000367446273	429650761	/nfs/dbraw/zinc/65/07/61/429650761.db2.gz	CRZMMRFEQFVHEI-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1Cl)c1ccccc1	ZINC000429343930	429601538	/nfs/dbraw/zinc/60/15/38/429601538.db2.gz	JSBWSHWXGFEYCY-CQSZACIVSA-N	0	3	300.793	3.321	20	30		DFEDHN
C[C@H]1CN(CC2CCN(CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000450342355	429604317	/nfs/dbraw/zinc/60/43/17/429604317.db2.gz	RYHKGXXMJQYMPS-HOTGVXAUSA-N	0	3	305.466	2.501	20	30		DFEDHN
Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000367252244	429605966	/nfs/dbraw/zinc/60/59/66/429605966.db2.gz	PVSHASCKRMDCDZ-RTBURBONSA-N	0	3	319.408	2.694	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(C)c1	ZINC000458268975	429612404	/nfs/dbraw/zinc/61/24/04/429612404.db2.gz	RFEXZKTZAYQEPK-IAGOWNOFSA-N	0	3	302.418	2.976	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000367496876	429660997	/nfs/dbraw/zinc/66/09/97/429660997.db2.gz	UMTACFMNQWZYBU-INIZCTEOSA-N	0	3	321.371	2.864	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000493021473	429670606	/nfs/dbraw/zinc/67/06/06/429670606.db2.gz	NBIAKFKPBSBAQA-SBJJXXPASA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccco1	ZINC000367596367	429680014	/nfs/dbraw/zinc/68/00/14/429680014.db2.gz	PERCZZZFLBONTH-ZBFHGGJFSA-N	0	3	300.406	2.889	20	30		DFEDHN
CCOC1CC2(C1)CCN(Cc1cc(C#N)ccc1OC)C2	ZINC000367606575	429684947	/nfs/dbraw/zinc/68/49/47/429684947.db2.gz	KKNTZNNCWZGBBA-UHFFFAOYSA-N	0	3	300.402	2.958	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H](C[C@@H]4CCOC4)C3)n2c1	ZINC000367687343	429699121	/nfs/dbraw/zinc/69/91/21/429699121.db2.gz	QGULKPPXPWSDDO-CVEARBPZSA-N	0	3	324.428	2.845	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2cc(C#N)ccn2)CC1	ZINC000367647533	429692041	/nfs/dbraw/zinc/69/20/41/429692041.db2.gz	YCPMKEXCXAJRCI-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1	ZINC000367658944	429693383	/nfs/dbraw/zinc/69/33/83/429693383.db2.gz	RAABRHBQLPWWBE-MRXNPFEDSA-N	0	3	324.428	3.003	20	30		DFEDHN
Cn1cnc(CCNCc2ccc(C#N)cc2C(F)(F)F)c1	ZINC000459674557	429700571	/nfs/dbraw/zinc/70/05/71/429700571.db2.gz	ZJICDOMAKAOSTR-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)Cc1nc(C#N)cs1	ZINC000459755702	429702367	/nfs/dbraw/zinc/70/23/67/429702367.db2.gz	SMXIMTPFUZVLKK-UHFFFAOYSA-N	0	3	306.460	2.640	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(C)C	ZINC000470869091	429711505	/nfs/dbraw/zinc/71/15/05/429711505.db2.gz	WORFIKQRKZHCLD-OAHLLOKOSA-N	0	3	318.421	3.409	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC	ZINC000472573420	429714766	/nfs/dbraw/zinc/71/47/66/429714766.db2.gz	GWVFEKRAKQVOPE-YESZJQIVSA-N	0	3	309.450	2.757	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCCC[C@@H]1C	ZINC000479336596	429718881	/nfs/dbraw/zinc/71/88/81/429718881.db2.gz	AAULDQYPAOBWGN-GJZGRUSLSA-N	0	3	308.470	2.878	20	30		DFEDHN
C=C(CNC(=O)NCCN1CCCC[C@H]1C)c1ccccc1	ZINC000479370356	429720001	/nfs/dbraw/zinc/72/00/01/429720001.db2.gz	CBTYIYLPFQIIQW-MRXNPFEDSA-N	0	3	301.434	2.873	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1CCCCCC[C@H]1C(=O)OC	ZINC000481440477	429722880	/nfs/dbraw/zinc/72/28/80/429722880.db2.gz	UVLWMQSRZXOWEX-CVEARBPZSA-N	0	3	324.465	2.513	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000483259774	429731846	/nfs/dbraw/zinc/73/18/46/429731846.db2.gz	NNSLBTINPMOHDN-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC#CCCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000483308218	429732195	/nfs/dbraw/zinc/73/21/95/429732195.db2.gz	YSWHHDDXOIIGOW-GOSISDBHSA-N	0	3	315.461	2.856	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccccc2)[C@@H]1C	ZINC000527297566	429741086	/nfs/dbraw/zinc/74/10/86/429741086.db2.gz	ILMCYICNTNMJFH-UXLLHSPISA-N	0	3	311.429	2.815	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)n2c1	ZINC000368131202	429795929	/nfs/dbraw/zinc/79/59/29/429795929.db2.gz	KGUINSLGDMYBTI-NZSAHSFTSA-N	0	3	300.365	2.634	20	30		DFEDHN
CCCCCCC[C@H](C)NCc1cn([C@@H]2COC[C@H]2OC)nn1	ZINC000367941663	429749683	/nfs/dbraw/zinc/74/96/83/429749683.db2.gz	JHHCRCGQEVUHBV-USXIJHARSA-N	0	3	324.469	2.703	20	30		DFEDHN
N#Cc1ccc(CN2CCC(NCc3ncccc3F)CC2)cc1	ZINC000527531197	429757937	/nfs/dbraw/zinc/75/79/37/429757937.db2.gz	REFQBTSKGZIIOR-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)o1	ZINC000527577659	429763006	/nfs/dbraw/zinc/76/30/06/429763006.db2.gz	KZALTMIIWDNEFQ-GDBMZVCRSA-N	0	3	315.417	2.783	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1	ZINC000494350236	429868382	/nfs/dbraw/zinc/86/83/82/429868382.db2.gz	MYLDPEMMFRWTFC-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CC3(C2)CCCCC3)cc1	ZINC000368286575	429824010	/nfs/dbraw/zinc/82/40/10/429824010.db2.gz	VAPFAADRYIWKIS-QGZVFWFLSA-N	0	3	314.429	2.758	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000451420956	429829065	/nfs/dbraw/zinc/82/90/65/429829065.db2.gz	NPCWISXGNZHMSH-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C12CCC2	ZINC000451476260	429833217	/nfs/dbraw/zinc/83/32/17/429833217.db2.gz	ULTLSUFFVXZRGM-XHSDSOJGSA-N	0	3	308.466	2.737	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000451483630	429833804	/nfs/dbraw/zinc/83/38/04/429833804.db2.gz	YJVUONKJHINSAA-UAGQMJEPSA-N	0	3	300.402	2.860	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	ZINC000451483626	429834145	/nfs/dbraw/zinc/83/41/45/429834145.db2.gz	YJVUONKJHINSAA-DJIMGWMZSA-N	0	3	300.402	2.860	20	30		DFEDHN
CO[C@H]1C[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C	ZINC000451504584	429836798	/nfs/dbraw/zinc/83/67/98/429836798.db2.gz	RBFXEVUTLZUFJS-KBPBESRZSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C#N)c(F)c1	ZINC000528015360	429837321	/nfs/dbraw/zinc/83/73/21/429837321.db2.gz	KOAZCGMLCDCYHQ-ZDUSSCGKSA-N	0	3	317.408	2.997	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000451521486	429840765	/nfs/dbraw/zinc/84/07/65/429840765.db2.gz	ZPELJYCFIOEIQB-SZMVWBNQSA-N	0	3	314.429	2.911	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](OC)[C@H](C)C1	ZINC000451542723	429848463	/nfs/dbraw/zinc/84/84/63/429848463.db2.gz	KHCFWDUMBAIWQR-KBAYOESNSA-N	0	3	319.445	2.512	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000494217237	429860157	/nfs/dbraw/zinc/86/01/57/429860157.db2.gz	ULYDEVONXBXNOA-ZWKOTPCHSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(SC)c1	ZINC000451598928	429860379	/nfs/dbraw/zinc/86/03/79/429860379.db2.gz	MIESKNVACQNXQQ-GLQYFDAESA-N	0	3	306.431	2.669	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@]1(C)CCO[C@@H]1C	ZINC000494258012	429863240	/nfs/dbraw/zinc/86/32/40/429863240.db2.gz	WNEJGLZKQBADNG-VBQJREDUSA-N	0	3	322.474	2.808	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(C(=O)c3ccccc3)CC2)CC1	ZINC000528342060	429876950	/nfs/dbraw/zinc/87/69/50/429876950.db2.gz	OVSGDAJDKNHHCY-QGZVFWFLSA-N	0	3	312.413	2.636	20	30		DFEDHN
Cc1nc([C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)sc1C	ZINC000528363153	429879791	/nfs/dbraw/zinc/87/97/91/429879791.db2.gz	LIUKWFKMKJFBRH-GJZGRUSLSA-N	0	3	319.474	2.994	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccccc1C#N	ZINC000528393051	429884514	/nfs/dbraw/zinc/88/45/14/429884514.db2.gz	URVYFEFNZFINLK-BEFAXECRSA-N	0	3	322.408	2.745	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(OCC3CCCC3)CC2)CC1	ZINC000528400539	429885031	/nfs/dbraw/zinc/88/50/31/429885031.db2.gz	OCVBLNUKPLTKTJ-INIZCTEOSA-N	0	3	306.450	2.712	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000368673415	429886197	/nfs/dbraw/zinc/88/61/97/429886197.db2.gz	SRORQVKZPGZBBD-HZPDHXFCSA-N	0	3	300.362	2.529	20	30		DFEDHN
COCc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)o1	ZINC000528452888	429890243	/nfs/dbraw/zinc/89/02/43/429890243.db2.gz	NKJNDUNRYSNKAB-DZGCQCFKSA-N	0	3	304.390	2.618	20	30		DFEDHN
Cc1cc(CN2CC3(CCOCC3)CC[C@H]2CO)ccc1C#N	ZINC000528635638	429903365	/nfs/dbraw/zinc/90/33/65/429903365.db2.gz	ASUMDFZWNJTPPG-SFHVURJKSA-N	0	3	314.429	2.620	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000528755029	429913407	/nfs/dbraw/zinc/91/34/07/429913407.db2.gz	GCAIJDDLZAKNEC-ZSYFIWHWSA-N	0	3	321.808	2.552	20	30		DFEDHN
N#CC1(c2ccccn2)CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1	ZINC000369205980	429919533	/nfs/dbraw/zinc/91/95/33/429919533.db2.gz	LEZANFUNORVKOG-MJGOQNOKSA-N	0	3	319.408	2.597	20	30		DFEDHN
C=CCN(C(=O)c1c[nH]nc1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000369264861	429921813	/nfs/dbraw/zinc/92/18/13/429921813.db2.gz	CVORGFBABPINKK-QGZVFWFLSA-N	0	3	324.428	2.621	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000451675587	429870588	/nfs/dbraw/zinc/87/05/88/429870588.db2.gz	PXOKUUHOOQNIMN-KGLIPLIRSA-N	0	3	308.328	2.983	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000528343927	429876249	/nfs/dbraw/zinc/87/62/49/429876249.db2.gz	ABSAGXTYMNEQTN-RDJZCZTQSA-N	0	3	300.402	2.887	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC3(CC2)c2ccccc2N=C3C)C1=O	ZINC000639729928	429961865	/nfs/dbraw/zinc/96/18/65/429961865.db2.gz	UHYPTXJATRMYKL-GOSISDBHSA-N	0	3	323.440	2.913	20	30		DFEDHN
N#CC(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)C(=O)N1CCCC1	ZINC000528914798	429932588	/nfs/dbraw/zinc/93/25/88/429932588.db2.gz	MKZSFZYZRIDQBG-BZUAXINKSA-N	0	3	314.360	2.651	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1Cc2c1cccc2Cl	ZINC000528922921	429934416	/nfs/dbraw/zinc/93/44/16/429934416.db2.gz	CRJFKKSERTYLNN-KBPBESRZSA-N	0	3	316.788	2.747	20	30		DFEDHN
CN(C)C(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1	ZINC000358741408	276745151	/nfs/dbraw/zinc/74/51/51/276745151.db2.gz	GSUVFCAMYLUXFQ-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
CCN(CCc1ccccc1)Cc1cnc2c(C#N)cnn2c1	ZINC000573445057	429952632	/nfs/dbraw/zinc/95/26/32/429952632.db2.gz	OAMCEWPBWUPGTG-UHFFFAOYSA-N	0	3	305.385	2.666	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)Nc1ccccc1CCN(C)C	ZINC000560415574	430040763	/nfs/dbraw/zinc/04/07/63/430040763.db2.gz	IUVHZNZLIFTZTE-UHFFFAOYSA-N	0	3	308.385	2.618	20	30		DFEDHN
N#CCC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1	ZINC000576265491	430103728	/nfs/dbraw/zinc/10/37/28/430103728.db2.gz	QSKLDZVPMTURSO-UHFFFAOYSA-N	0	3	313.445	2.644	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1	ZINC000637669560	430103669	/nfs/dbraw/zinc/10/36/69/430103669.db2.gz	NPJZUAGXCIAMBT-UHFFFAOYSA-N	0	3	317.437	2.580	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(C)c(C)c1	ZINC000577350359	430112517	/nfs/dbraw/zinc/11/25/17/430112517.db2.gz	UYOJQRISEASWQU-NXHRZFHOSA-N	0	3	316.445	2.804	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1	ZINC000574625728	430050816	/nfs/dbraw/zinc/05/08/16/430050816.db2.gz	VYIAYPWQXZORMF-DOTOQJQBSA-N	0	3	308.385	2.846	20	30		DFEDHN
COCc1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1C#N	ZINC000529817497	430070046	/nfs/dbraw/zinc/07/00/46/430070046.db2.gz	XLGRZMHDABKEDV-HZSPNIEDSA-N	0	3	315.417	2.904	20	30		DFEDHN
CC(C)(CNC[C@@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000561076009	430074121	/nfs/dbraw/zinc/07/41/21/430074121.db2.gz	LNEIDTPXPGVIRJ-MRXNPFEDSA-N	0	3	310.445	2.856	20	30		DFEDHN
C[C@H](CNC[C@@H](C#N)CCC#N)N1CCc2sccc2C1	ZINC000561256279	430083632	/nfs/dbraw/zinc/08/36/32/430083632.db2.gz	ACYTZYFNVIIURP-ZIAGYGMSSA-N	0	3	302.447	2.528	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N[C@@H]3CCN(C4CCCC4)C3)CC2)c1	ZINC000532509904	430154288	/nfs/dbraw/zinc/15/42/88/430154288.db2.gz	GXIYLBDMVYTSBF-QGZVFWFLSA-N	0	3	323.440	2.723	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@]1(C)CCCc2ccccc21)C1CC1	ZINC000538707665	430175429	/nfs/dbraw/zinc/17/54/29/430175429.db2.gz	QSVFHHBBXPQVFZ-MOPGFXCFSA-N	0	3	311.429	2.636	20	30		DFEDHN
CC(C)[C@@](C)(CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000562784918	430177664	/nfs/dbraw/zinc/17/76/64/430177664.db2.gz	LYBHBTODDYTTJK-OAHLLOKOSA-N	0	3	315.335	2.933	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1	ZINC000577769952	430116820	/nfs/dbraw/zinc/11/68/20/430116820.db2.gz	BFKGLLWMMXCWET-QSJFSLAZSA-N	0	3	320.433	2.806	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000562442894	430132558	/nfs/dbraw/zinc/13/25/58/430132558.db2.gz	AIEZGLXUMDUBQT-DYVFJYSZSA-N	0	3	311.429	2.856	20	30		DFEDHN
C[C@H](CNC(=O)Cc1cccc(C#N)c1)N(C)Cc1ccccc1	ZINC000531157247	430133034	/nfs/dbraw/zinc/13/30/34/430133034.db2.gz	CGWIEERJVVORBU-MRXNPFEDSA-N	0	3	321.424	2.737	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NCc1ccccc1CN1CCCCC1	ZINC000541020381	430183254	/nfs/dbraw/zinc/18/32/54/430183254.db2.gz	MBQINMAWLCXBPC-OAHLLOKOSA-N	0	3	314.433	2.631	20	30		DFEDHN
C[C@@H](NC1(C2CC2)CC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000541592877	430190728	/nfs/dbraw/zinc/19/07/28/430190728.db2.gz	GLSYPLDPVKVYGR-CYBMUJFWSA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNC[C@@H](C)C(F)(F)F	ZINC000564075962	430192964	/nfs/dbraw/zinc/19/29/64/430192964.db2.gz	AZGLGGGLFKNOHT-TZMCWYRMSA-N	0	3	317.351	2.943	20	30		DFEDHN
COCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccco1	ZINC000273203156	277236345	/nfs/dbraw/zinc/23/63/45/277236345.db2.gz	AFYINRWBGIQVHS-CVEARBPZSA-N	0	3	300.358	2.552	20	30		DFEDHN
CC(C)(CO)[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000566463802	430261536	/nfs/dbraw/zinc/26/15/36/430261536.db2.gz	KVDHNTJIPXKJHK-IAGOWNOFSA-N	0	3	314.429	2.672	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000567232957	430281767	/nfs/dbraw/zinc/28/17/67/430281767.db2.gz	RRFMICYYOLUKLW-YOEHRIQHSA-N	0	3	301.434	2.999	20	30		DFEDHN
C=CCN(CCC#N)C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000567310737	430282333	/nfs/dbraw/zinc/28/23/33/430282333.db2.gz	JSYIELFKACKVGG-UHFFFAOYSA-N	0	3	316.405	2.690	20	30		DFEDHN
CC[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000581721748	430233431	/nfs/dbraw/zinc/23/34/31/430233431.db2.gz	NMKBHYUSZUQLOZ-HOTGVXAUSA-N	0	3	320.458	2.748	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000641759606	430463275	/nfs/dbraw/zinc/46/32/75/430463275.db2.gz	HPBVZRXSUXWOIW-LLVKDONJSA-N	0	3	317.355	2.655	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(C)nn(C)c1Oc1ccccc1	ZINC000641760044	430463702	/nfs/dbraw/zinc/46/37/02/430463702.db2.gz	MJYZVCXFJDIZIU-HNNXBMFYSA-N	0	3	315.417	2.938	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cnc(-c2ccccc2F)s1	ZINC000641767723	430466802	/nfs/dbraw/zinc/46/68/02/430466802.db2.gz	PTAHLPCLNCYJEM-LBPRGKRZSA-N	0	3	304.390	2.813	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cn(-c2ccccc2Cl)nc1C	ZINC000641768167	430467279	/nfs/dbraw/zinc/46/72/79/430467279.db2.gz	XZNYMVBZZQEMGA-OAHLLOKOSA-N	0	3	317.820	2.698	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cnc(-c2c(F)cccc2F)s1	ZINC000641767687	430467899	/nfs/dbraw/zinc/46/78/99/430467899.db2.gz	OFDWXVKNFVQKOJ-NSHDSACASA-N	0	3	322.380	2.952	20	30		DFEDHN
CCN(C[C@@H]1CCCN1CC)C(=O)c1c(F)cc(C#N)cc1F	ZINC000547797815	430423999	/nfs/dbraw/zinc/42/39/99/430423999.db2.gz	KMPVOOFOTNZSJQ-ZDUSSCGKSA-N	0	3	321.371	2.783	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000590366110	430486014	/nfs/dbraw/zinc/48/60/14/430486014.db2.gz	KJPXDXUAABICIQ-CQSZACIVSA-N	0	3	305.809	2.753	20	30		DFEDHN
CC[C@@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000569804385	430487175	/nfs/dbraw/zinc/48/71/75/430487175.db2.gz	QWAMXSNEGNYVCC-SJORKVTESA-N	0	3	320.458	2.746	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H](CN2CCCC2)c2ccccc2)n1	ZINC000596071544	430505640	/nfs/dbraw/zinc/50/56/40/430505640.db2.gz	QNJDJQMBXZWUTE-QGZVFWFLSA-N	0	3	321.428	3.160	20	30		DFEDHN
CC#CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000570088575	430511978	/nfs/dbraw/zinc/51/19/78/430511978.db2.gz	JHXSCNWVMJBRBT-MRXNPFEDSA-N	0	3	302.393	2.567	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@H]2c2ccccc2)CCOCC1	ZINC000599312778	430529700	/nfs/dbraw/zinc/52/97/00/430529700.db2.gz	BXHKKOIIHUNQDP-IRXDYDNUSA-N	0	3	300.402	2.505	20	30		DFEDHN
N#Cc1cccc(C2(NCCC(=O)Nc3cccnc3)CC2)c1	ZINC000551712256	430561505	/nfs/dbraw/zinc/56/15/05/430561505.db2.gz	AEHCQYGHHTUYLQ-UHFFFAOYSA-N	0	3	306.369	2.561	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(C(C)C)n1)C(C)C	ZINC000264912509	277849787	/nfs/dbraw/zinc/84/97/87/277849787.db2.gz	NQJIEDGFLVEQGI-KRWDZBQOSA-N	0	3	318.465	2.892	20	30		DFEDHN
CN(CCCN(C)C(=O)c1ccc(C#N)cc1)Cc1ccncc1	ZINC000552112510	430584863	/nfs/dbraw/zinc/58/48/63/430584863.db2.gz	GVYQVDGYPSMMJY-UHFFFAOYSA-N	0	3	322.412	2.547	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCCNc2ccc(-c3ccccc3)nn2)C1	ZINC000618568638	430594535	/nfs/dbraw/zinc/59/45/35/430594535.db2.gz	SBFQILALRMHTDZ-DOTOQJQBSA-N	0	3	321.428	3.227	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCCc3occc3C2)c1	ZINC000554747805	430651568	/nfs/dbraw/zinc/65/15/68/430651568.db2.gz	XAOSMVCOGNWELZ-UHFFFAOYSA-N	0	3	309.369	2.928	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNc2ccncc2C#N)N(C)C)cc1	ZINC000571798632	430653991	/nfs/dbraw/zinc/65/39/91/430653991.db2.gz	VCMQZXPIMNRIHW-LJQANCHMSA-N	0	3	324.428	2.877	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@](O)(CC)C2)cc1OC	ZINC000639384814	430629200	/nfs/dbraw/zinc/62/92/00/430629200.db2.gz	KWFWKSMTYPVXLX-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000554217927	430630239	/nfs/dbraw/zinc/63/02/39/430630239.db2.gz	BVTXBMOANIHEEA-LBPRGKRZSA-N	0	3	305.809	2.816	20	30		DFEDHN
CN1CCC[C@H](CNc2nccc(C#N)n2)[C@H]1c1cccs1	ZINC000571630429	430642175	/nfs/dbraw/zinc/64/21/75/430642175.db2.gz	TWGIPIAAEUBUPW-DOMZBBRYSA-N	0	3	313.430	2.905	20	30		DFEDHN
Cn1cncc1CCCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000572301076	430680093	/nfs/dbraw/zinc/68/00/93/430680093.db2.gz	WJZGFYXPKWPFGM-UHFFFAOYSA-N	0	3	324.428	2.768	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1	ZINC000572564929	430690724	/nfs/dbraw/zinc/69/07/24/430690724.db2.gz	NKHGAXPCORHKFU-WOPDTQHZSA-N	0	3	321.783	2.866	20	30		DFEDHN
CS[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1	ZINC000275522476	278167517	/nfs/dbraw/zinc/16/75/17/278167517.db2.gz	WWEBKDAZMJEIKW-CABCVRRESA-N	0	3	323.412	2.852	20	30		DFEDHN
CS[C@H]1CN(c2cccc(F)c2C#N)C[C@@H]1N1CCCC1	ZINC000274695990	278167856	/nfs/dbraw/zinc/16/78/56/278167856.db2.gz	SELLVYPQEOFQKS-HOTGVXAUSA-N	0	3	305.422	2.713	20	30		DFEDHN
C=C(CNC(=O)N(CC)[C@@H]1CCN(CC)C1)c1ccccc1	ZINC000664899236	430773978	/nfs/dbraw/zinc/77/39/78/430773978.db2.gz	RYBAZOWJBHHJTH-QGZVFWFLSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000664902831	430776063	/nfs/dbraw/zinc/77/60/63/430776063.db2.gz	YPIHLGGTYKKPIZ-KRWDZBQOSA-N	0	3	319.449	2.952	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000651541040	430817599	/nfs/dbraw/zinc/81/75/99/430817599.db2.gz	WMJSZILFKQWMGZ-ARFHVFGLSA-N	0	3	317.481	2.583	20	30		DFEDHN
C=C(C)CN(C)C(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000661666902	430798838	/nfs/dbraw/zinc/79/88/38/430798838.db2.gz	GTICPZBLDSPKDU-UHFFFAOYSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2scnc2C(F)(F)F)CC1	ZINC000654747952	430804579	/nfs/dbraw/zinc/80/45/79/430804579.db2.gz	QMGXNCFUUVBCMG-UHFFFAOYSA-N	0	3	319.352	2.542	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2OCc3ccccc32)CC1	ZINC000654748755	430806259	/nfs/dbraw/zinc/80/62/59/430806259.db2.gz	IKXOPEKBBWSGGT-GOSISDBHSA-N	0	3	314.429	2.805	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000661878810	430880971	/nfs/dbraw/zinc/88/09/71/430880971.db2.gz	GKYSJRMRIWHDLB-BZSNNMDCSA-N	0	3	320.477	2.857	20	30		DFEDHN
N#CC1(CCCN2CCC3(CCCC3=O)CC2)CCOCC1	ZINC000661958625	430905112	/nfs/dbraw/zinc/90/51/12/430905112.db2.gz	VTOQGEBRXWOWKA-UHFFFAOYSA-N	0	3	304.434	2.922	20	30		DFEDHN
C=CCCCCCNC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1	ZINC000655247816	430938111	/nfs/dbraw/zinc/93/81/11/430938111.db2.gz	RQZITGMHTYWDAX-SJORKVTESA-N	0	3	308.466	2.596	20	30		DFEDHN
C=CCC1(NC(=O)Nc2cccc3c2CCNC3)CCOCC1	ZINC000659016937	430939947	/nfs/dbraw/zinc/93/99/47/430939947.db2.gz	APPSWFOLRIGHAW-UHFFFAOYSA-N	0	3	315.417	2.579	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cnc2c(c1)CNCC2	ZINC000659019940	430941320	/nfs/dbraw/zinc/94/13/20/430941320.db2.gz	ITGWFGRIAHBEOX-SUMWQHHRSA-N	0	3	314.433	2.984	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(C)C1	ZINC000665702341	431008983	/nfs/dbraw/zinc/00/89/83/431008983.db2.gz	XZKWFCMVIVHMAY-IAGOWNOFSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cc(F)cc(F)c1	ZINC000662083588	430952593	/nfs/dbraw/zinc/95/25/93/430952593.db2.gz	GTRSCYUDFLKDIJ-IYBDPMFKSA-N	0	3	306.356	2.764	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(C)c(F)c1	ZINC000662081584	430953056	/nfs/dbraw/zinc/95/30/56/430953056.db2.gz	VKTVXPKHQDYKCS-IYBDPMFKSA-N	0	3	302.393	2.933	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(CCC)C2)c1	ZINC000665847265	431050209	/nfs/dbraw/zinc/05/02/09/431050209.db2.gz	NBDVDBUVFARKQS-OAHLLOKOSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN(C(C)(C)CC)CC1	ZINC000655618552	431064729	/nfs/dbraw/zinc/06/47/29/431064729.db2.gz	YRHDZPZKIVRNBF-UHFFFAOYSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C3CCC3)C2)CC1	ZINC000665713045	431012645	/nfs/dbraw/zinc/01/26/45/431012645.db2.gz	PDGASQQAQZFVBS-MRXNPFEDSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCC1(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CCOCC1	ZINC000662875825	431222699	/nfs/dbraw/zinc/22/26/99/431222699.db2.gz	XTELXVZOTKTRNR-GDBMZVCRSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=C(CNC(=O)N1CCc2ccccc2[C@@H]1CN)c1ccccc1	ZINC000646194319	431224279	/nfs/dbraw/zinc/22/42/79/431224279.db2.gz	MGNGJCFQVNWSPZ-IBGZPJMESA-N	0	3	321.424	2.968	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000660068348	431255031	/nfs/dbraw/zinc/25/50/31/431255031.db2.gz	FALHDWVVSXJYCO-IYBDPMFKSA-N	0	3	320.458	2.620	20	30		DFEDHN
C=CCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000666735901	431339741	/nfs/dbraw/zinc/33/97/41/431339741.db2.gz	HHTILSFBOWTSAP-UHFFFAOYSA-N	0	3	302.422	2.526	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21	ZINC000646941168	431426088	/nfs/dbraw/zinc/42/60/88/431426088.db2.gz	VEILOXFWOCSXJK-ZFWWWQNUSA-N	0	3	302.443	2.741	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000656542063	431419855	/nfs/dbraw/zinc/41/98/55/431419855.db2.gz	FLLURPGDRFJHPY-QGZVFWFLSA-N	0	3	317.433	2.707	20	30		DFEDHN
C=CCN(C(=O)Nc1ccccc1CCN(C)C)[C@@H](C)COC	ZINC000666839483	431377883	/nfs/dbraw/zinc/37/78/83/431377883.db2.gz	ZMIHLSISDIMVJE-HNNXBMFYSA-N	0	3	319.449	2.846	20	30		DFEDHN
C=CCCn1cc(CN2CCN(C3CCC(C)CC3)CC2)nn1	ZINC000653556950	431434692	/nfs/dbraw/zinc/43/46/92/431434692.db2.gz	RTGNNAIYANDIBF-UHFFFAOYSA-N	0	3	317.481	2.551	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000376262287	279952440	/nfs/dbraw/zinc/95/24/40/279952440.db2.gz	OAJNUFDGMNOXKX-GXTWGEPZSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCCC2	ZINC000286434850	279952956	/nfs/dbraw/zinc/95/29/56/279952956.db2.gz	SCJYAHUCLHEGPW-WMLDXEAASA-N	0	3	310.445	2.895	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000660706228	431557988	/nfs/dbraw/zinc/55/79/88/431557988.db2.gz	IYNKUBAVSKUGST-UHFFFAOYSA-N	0	3	317.433	2.819	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1csc(CC(=O)N(C)C)n1	ZINC000661116685	431740180	/nfs/dbraw/zinc/74/01/80/431740180.db2.gz	KXWQBAQHXKRNSN-DZGCQCFKSA-N	0	3	321.490	2.998	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](CO)C1CCC1	ZINC000661153700	431752263	/nfs/dbraw/zinc/75/22/63/431752263.db2.gz	JQUBGNGYDRUCES-HNNXBMFYSA-N	0	3	320.458	2.654	20	30		DFEDHN
OC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1	ZINC000661151960	431753110	/nfs/dbraw/zinc/75/31/10/431753110.db2.gz	SVZSNGLHVFJMFK-HNNXBMFYSA-N	0	3	313.319	2.687	20	30		DFEDHN
C=CCN(Cc1cccc(CN2CCOCC2)c1)[C@@H](C)COC	ZINC000661240254	431790819	/nfs/dbraw/zinc/79/08/19/431790819.db2.gz	RURGYFXDSLBRQJ-KRWDZBQOSA-N	0	3	318.461	2.542	20	30		DFEDHN
C=CCN(CCC(=O)NCc1ccccc1Cl)[C@H](C)COC	ZINC000661242937	431792219	/nfs/dbraw/zinc/79/22/19/431792219.db2.gz	HDHJOWOMDYXZQC-CQSZACIVSA-N	0	3	324.852	2.869	20	30		DFEDHN
C=CCN(CCc1nc(-c2ccccc2)no1)[C@H](C)COC	ZINC000661243805	431793429	/nfs/dbraw/zinc/79/34/29/431793429.db2.gz	NQZYQODTBRMLCA-CQSZACIVSA-N	0	3	301.390	2.802	20	30		DFEDHN
C=CCN(C[C@H](O)COc1cc(C)cc(C)c1)[C@H](C)COC	ZINC000661247685	431794768	/nfs/dbraw/zinc/79/47/68/431794768.db2.gz	QGWAQNDCWAWIFT-SJORKVTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCN(C[C@H](O)COc1cc(C)cc(C)c1)[C@@H](C)COC	ZINC000661247684	431796533	/nfs/dbraw/zinc/79/65/33/431796533.db2.gz	QGWAQNDCWAWIFT-IRXDYDNUSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1	ZINC000648049641	431799500	/nfs/dbraw/zinc/79/95/00/431799500.db2.gz	ZVCBROKEZIPMDY-MRXNPFEDSA-N	0	3	310.401	2.728	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000661326037	431823298	/nfs/dbraw/zinc/82/32/98/431823298.db2.gz	OOSUDNMJIDCSGF-QZTJIDSGSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCC1(NCc2cn(-c3ccccc3C)nn2)CCOCC1	ZINC000657635077	431831254	/nfs/dbraw/zinc/83/12/54/431831254.db2.gz	UWHNEOFUIVNKRH-UHFFFAOYSA-N	0	3	312.417	2.791	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(COC)cc2)C1	ZINC000661381248	431838491	/nfs/dbraw/zinc/83/84/91/431838491.db2.gz	YIZWULQXVIQGBC-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000091437276	290049489	/nfs/dbraw/zinc/04/94/89/290049489.db2.gz	IWUPVVGOTCNXKJ-RCBQFDQVSA-N	0	3	306.431	2.565	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000180118338	290134415	/nfs/dbraw/zinc/13/44/15/290134415.db2.gz	XSQXJZYUCYGMOH-QUCCMNQESA-N	0	3	319.408	2.662	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2	ZINC000514975696	300282755	/nfs/dbraw/zinc/28/27/55/300282755.db2.gz	HAYWQJLEXZEGMA-DOTOQJQBSA-N	0	3	321.428	2.865	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)CCN1C	ZINC000537588144	301304071	/nfs/dbraw/zinc/30/40/71/301304071.db2.gz	XZPARVQOCCPFOW-RISCZKNCSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)c(F)c1	ZINC000538507852	301322545	/nfs/dbraw/zinc/32/25/45/301322545.db2.gz	HWRRMIBFAGOBQL-GXFFZTMASA-N	0	3	315.314	2.985	20	30		DFEDHN
C[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)c(F)c1	ZINC000538508442	301322742	/nfs/dbraw/zinc/32/27/42/301322742.db2.gz	MCVDACSTLPEJHV-CHWSQXEVSA-N	0	3	302.349	2.792	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000538690025	301327279	/nfs/dbraw/zinc/32/72/79/301327279.db2.gz	OZWIMWFIWIOTTE-LBPRGKRZSA-N	0	3	305.809	2.673	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3C[C@@H]3Cc3ccccc3)n2c1	ZINC000540601070	301366173	/nfs/dbraw/zinc/36/61/73/301366173.db2.gz	PVZUBNGRHXXIEC-FUHWJXTLSA-N	0	3	302.381	2.927	20	30		DFEDHN
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCN(C2CC2)C1	ZINC000541621494	301392502	/nfs/dbraw/zinc/39/25/02/301392502.db2.gz	HPCGNSQLVDLISH-CQSZACIVSA-N	0	3	303.793	2.520	20	30		DFEDHN
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)N1CCCC1	ZINC000545272426	301471555	/nfs/dbraw/zinc/47/15/55/301471555.db2.gz	HIAYXYQFLJYECN-KSSFIOAISA-N	0	3	311.429	2.926	20	30		DFEDHN
CC(C)COC[C@@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21	ZINC000552969729	301700856	/nfs/dbraw/zinc/70/08/56/301700856.db2.gz	WROSIDKVJUGHFR-FUHWJXTLSA-N	0	3	302.418	2.559	20	30		DFEDHN
C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000562978636	302021036	/nfs/dbraw/zinc/02/10/36/302021036.db2.gz	XZKKZJUFPOZVIZ-CQSZACIVSA-N	0	3	311.429	3.000	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC23CCC(CC2)C3)c1	ZINC000562990948	302022279	/nfs/dbraw/zinc/02/22/79/302022279.db2.gz	IUUVBVJLSXAWEA-UHFFFAOYSA-N	0	3	318.442	2.502	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCC(=O)N1CCCCCC1)CC2	ZINC000564429314	302134371	/nfs/dbraw/zinc/13/43/71/302134371.db2.gz	RGJCCSMLIVMWPE-GOSISDBHSA-N	0	3	311.429	2.928	20	30		DFEDHN
N#Cc1c(C(F)F)cccc1N1CCN(C2CCOCC2)CC1	ZINC000564616284	302144389	/nfs/dbraw/zinc/14/43/89/302144389.db2.gz	HDCHLSHIHBUUTN-UHFFFAOYSA-N	0	3	321.371	2.797	20	30		DFEDHN
Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)c(C#N)cn1	ZINC000564877038	302167852	/nfs/dbraw/zinc/16/78/52/302167852.db2.gz	KFKPCAHXXMAYTJ-OAHLLOKOSA-N	0	3	321.428	2.716	20	30		DFEDHN
Cn1cc(CN2CC3(C2)CCOCC3)c(-c2ccc(C#N)cc2)n1	ZINC000565702806	302238805	/nfs/dbraw/zinc/23/88/05/302238805.db2.gz	SJMWWBNAANFWLQ-UHFFFAOYSA-N	0	3	322.412	2.571	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccccc1	ZINC000567828136	302391067	/nfs/dbraw/zinc/39/10/67/302391067.db2.gz	AEILJWZLTKRGLJ-WBVHZDCISA-N	0	3	321.384	2.520	20	30		DFEDHN
Cc1ccc(CC[C@H](C)NCc2cnc3c(C#N)cnn3c2)o1	ZINC000567887272	302396784	/nfs/dbraw/zinc/39/67/84/302396784.db2.gz	GMUCNZYVONXLNL-LBPRGKRZSA-N	0	3	309.373	2.613	20	30		DFEDHN
Cc1ccc(NCc2cnc3c(C#N)cnn3c2)c(CN(C)C)c1	ZINC000567896454	302397211	/nfs/dbraw/zinc/39/72/11/302397211.db2.gz	OVKYGBZDHFMEGX-UHFFFAOYSA-N	0	3	320.400	2.583	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1	ZINC000292602707	335092329	/nfs/dbraw/zinc/09/23/29/335092329.db2.gz	LJZRIQSNMPIVBX-GOSISDBHSA-N	0	3	315.417	2.811	20	30		DFEDHN
CCc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)s1	ZINC000319014088	316250680	/nfs/dbraw/zinc/25/06/80/316250680.db2.gz	CAMYNZIHJSTHDC-AWEZNQCLSA-N	0	3	316.426	2.712	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COc1ccccc1C#N	ZINC000530231077	317777568	/nfs/dbraw/zinc/77/75/68/317777568.db2.gz	LYGOTSPASOLBRT-MJGOQNOKSA-N	0	3	322.408	2.884	20	30		DFEDHN
CC1(C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC000575049406	318059437	/nfs/dbraw/zinc/05/94/37/318059437.db2.gz	AOAIUOCEFPXSCG-IMJJTQAJSA-N	0	3	315.373	2.760	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](N[C@@H]2CC3CCC2CC3)C1=O	ZINC000576217078	318111432	/nfs/dbraw/zinc/11/14/32/318111432.db2.gz	JEULALHDBAWSRA-BBNOBNGHSA-N	0	3	315.442	2.893	20	30		DFEDHN
N#Cc1cnn2cc(CNCC[C@H]3CCc4ccccc43)cnc12	ZINC000576466782	318128221	/nfs/dbraw/zinc/12/82/21/318128221.db2.gz	XXRVEHGZYITOSE-MRXNPFEDSA-N	0	3	317.396	2.811	20	30		DFEDHN
C[C@@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1cc2ccccc2o1	ZINC000576704386	318144411	/nfs/dbraw/zinc/14/44/11/318144411.db2.gz	OGWOGCBVEKOXGI-OLZOCXBDSA-N	0	3	321.384	2.893	20	30		DFEDHN
N#Cc1ccc(CNCC[C@H]2COc3ccccc3O2)s1	ZINC000579152416	318311103	/nfs/dbraw/zinc/31/11/03/318311103.db2.gz	BJUMAWRIBRENBB-LBPRGKRZSA-N	0	3	300.383	2.939	20	30		DFEDHN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000579487909	318334453	/nfs/dbraw/zinc/33/44/53/318334453.db2.gz	PUBJSCUKTQPBFD-CYBMUJFWSA-N	0	3	321.380	2.610	20	30		DFEDHN
COc1ccc([C@H](CN2CCCC2)Nc2cc(C#N)ncn2)cc1	ZINC000579667636	318345722	/nfs/dbraw/zinc/34/57/22/318345722.db2.gz	AHIDTVHLSFDZMN-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@@H]3Cc3ccccc3)cnc12	ZINC000580075764	318373590	/nfs/dbraw/zinc/37/35/90/318373590.db2.gz	ZCAOKELBKWFTGG-GOSISDBHSA-N	0	3	317.396	2.808	20	30		DFEDHN
CC(C)(C)OC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000194539792	323270049	/nfs/dbraw/zinc/27/00/49/323270049.db2.gz	JEYYBRWUGYNIPW-QGZVFWFLSA-N	0	3	302.418	2.699	20	30		DFEDHN
CC[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000388238326	323329271	/nfs/dbraw/zinc/32/92/71/323329271.db2.gz	ZFMXUASSCMMSJC-ZBFHGGJFSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@]1(CNc2ccncc2C#N)CCCN1Cc1ccccc1	ZINC000399432053	323359664	/nfs/dbraw/zinc/35/96/64/323359664.db2.gz	IMIZGZOZACAIQR-IBGZPJMESA-N	0	3	306.413	2.842	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2cnccn12	ZINC000580632636	323413850	/nfs/dbraw/zinc/41/38/50/323413850.db2.gz	XMQWLMCIXPJTHH-QGZVFWFLSA-N	0	3	303.369	2.768	20	30		DFEDHN
CC#CCN1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000497123336	331472322	/nfs/dbraw/zinc/47/23/22/331472322.db2.gz	COGPPFIDTXIPIR-UHFFFAOYSA-N	0	3	300.402	2.648	20	30		DFEDHN
C=CCCOCCNCc1ccccc1N1CCO[C@@H](C)C1	ZINC000297634860	331602846	/nfs/dbraw/zinc/60/28/46/331602846.db2.gz	MGJDSBLAMBOCOY-INIZCTEOSA-N	0	3	304.434	2.594	20	30		DFEDHN
N#CCSCCCN1CCC(NC(=O)c2ccccc2)CC1	ZINC000074981074	331946375	/nfs/dbraw/zinc/94/63/75/331946375.db2.gz	AEKIIFOLVOIANA-UHFFFAOYSA-N	0	3	317.458	2.528	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000558989907	331964752	/nfs/dbraw/zinc/96/47/52/331964752.db2.gz	CSTJYUZNYIEJJB-INIZCTEOSA-N	0	3	317.481	2.871	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CC(C)(C)c2ccc(C)cc2)C1=O	ZINC000410394407	332121917	/nfs/dbraw/zinc/12/19/17/332121917.db2.gz	AQNRMLMQBLNFHF-QGZVFWFLSA-N	0	3	300.446	2.991	20	30		DFEDHN
CN(C(=O)CN[C@H]1CC(C)(C)OC1(C)C)C1(C#N)CCCCC1	ZINC000132509392	332130421	/nfs/dbraw/zinc/13/04/21/332130421.db2.gz	IDGMPFXQJPDMCT-AWEZNQCLSA-N	0	3	321.465	2.607	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1	ZINC000292776659	335094748	/nfs/dbraw/zinc/09/47/48/335094748.db2.gz	KDHZRVUVFCKVPK-UHFFFAOYSA-N	0	3	306.381	2.679	20	30		DFEDHN
Cc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)c(C#N)cn1	ZINC000584287757	332214888	/nfs/dbraw/zinc/21/48/88/332214888.db2.gz	FRCZNOYUEMMOHU-QGZVFWFLSA-N	0	3	308.385	2.812	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@H](CC(C)(C)C)NC)cc1	ZINC000387509950	332269455	/nfs/dbraw/zinc/26/94/55/332269455.db2.gz	FHZCYULZBUGIIV-HNNXBMFYSA-N	0	3	317.433	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3c(c2)CCCC3=O)CC1	ZINC000292977326	335098816	/nfs/dbraw/zinc/09/88/16/335098816.db2.gz	CSEYSPGKUZPWAQ-UHFFFAOYSA-N	0	3	312.413	2.586	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000370916200	332299938	/nfs/dbraw/zinc/29/99/38/332299938.db2.gz	GNSGEINWJDNRPR-SJORKVTESA-N	0	3	311.429	2.804	20	30		DFEDHN
CC(C)Oc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000112530026	332314086	/nfs/dbraw/zinc/31/40/86/332314086.db2.gz	IHPDMBZHUYAZBJ-GJZGRUSLSA-N	0	3	317.433	2.885	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)cc1	ZINC000293127237	335100938	/nfs/dbraw/zinc/10/09/38/335100938.db2.gz	IPNLBIHJPRQLIT-LPHOPBHVSA-N	0	3	312.457	2.789	20	30		DFEDHN
CN(CCCC#N)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000116403239	332338737	/nfs/dbraw/zinc/33/87/37/332338737.db2.gz	VACDSYKHPIEMMN-LBPRGKRZSA-N	0	3	316.323	2.681	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2	ZINC000154348106	332431373	/nfs/dbraw/zinc/43/13/73/332431373.db2.gz	GPTVVTDERXOOTR-HNNXBMFYSA-N	0	3	313.445	2.978	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1	ZINC000154605119	332436280	/nfs/dbraw/zinc/43/62/80/332436280.db2.gz	MXZLVISZVGSKTB-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1cccs1)Cc1cccs1	ZINC000293484765	335110813	/nfs/dbraw/zinc/11/08/13/335110813.db2.gz	MOOOTCRABYMPMW-UHFFFAOYSA-N	0	3	318.467	2.951	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1	ZINC000293623400	335113320	/nfs/dbraw/zinc/11/33/20/335113320.db2.gz	WHOXPAWZYZPILR-LBPRGKRZSA-N	0	3	312.335	2.838	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c(C)o1	ZINC000408381668	332503521	/nfs/dbraw/zinc/50/35/21/332503521.db2.gz	MVOUQLNHALIJCY-GOEBONIOSA-N	0	3	315.417	2.783	20	30		DFEDHN
CCc1ccc(C#CC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1	ZINC000293681294	335112413	/nfs/dbraw/zinc/11/24/13/335112413.db2.gz	KVYBGKACLNQBMI-OALUTQOASA-N	0	3	310.441	2.543	20	30		DFEDHN
Cc1occc1C(=O)NC1CCN(CCC(C)(C)C#N)CC1	ZINC000131444133	332556050	/nfs/dbraw/zinc/55/60/50/332556050.db2.gz	JMXVKBHDEGNUEP-UHFFFAOYSA-N	0	3	303.406	2.722	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C	ZINC000562552176	332603602	/nfs/dbraw/zinc/60/36/02/332603602.db2.gz	ASOYMVFGBXPKCN-HIFRSBDPSA-N	0	3	308.809	2.910	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCCCOc1cccc(C)c1	ZINC000293934192	335115705	/nfs/dbraw/zinc/11/57/05/335115705.db2.gz	IHARWTPNTKMTEO-UHFFFAOYSA-N	0	3	316.445	2.615	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(CCC#N)CC1	ZINC000567729354	333033558	/nfs/dbraw/zinc/03/35/58/333033558.db2.gz	VZCFWMXOJSJDDW-MRXNPFEDSA-N	0	3	308.470	2.688	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)Nc2ccn(CCC#N)n2)c1	ZINC000172220884	333060121	/nfs/dbraw/zinc/06/01/21/333060121.db2.gz	YLVINIPIAWVWKN-UHFFFAOYSA-N	0	3	312.377	2.502	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000294093147	335119865	/nfs/dbraw/zinc/11/98/65/335119865.db2.gz	XSCLUDWYABQHPN-QGZVFWFLSA-N	0	3	316.445	2.614	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)C#N	ZINC000175278122	333097036	/nfs/dbraw/zinc/09/70/36/333097036.db2.gz	SIWGQWZARPFBKM-KRWDZBQOSA-N	0	3	313.445	2.907	20	30		DFEDHN
Cc1ccccc1[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)C1CC1	ZINC000526057638	333149708	/nfs/dbraw/zinc/14/97/08/333149708.db2.gz	HDXZQTMOJULXLN-YOEHRIQHSA-N	0	3	311.429	2.987	20	30		DFEDHN
N#CCSCCCN[C@H](CN1CCCC1=O)c1ccccc1	ZINC000179569381	333152880	/nfs/dbraw/zinc/15/28/80/333152880.db2.gz	QDQWIWFKGZLHHB-MRXNPFEDSA-N	0	3	317.458	2.587	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000294674304	335125298	/nfs/dbraw/zinc/12/52/98/335125298.db2.gz	SAXYXROUMSLIPP-WFASDCNBSA-N	0	3	304.390	2.649	20	30		DFEDHN
CCc1ccc(C(C)(C)NCC(=O)N(CC)CCC#N)cc1	ZINC000180095850	333158432	/nfs/dbraw/zinc/15/84/32/333158432.db2.gz	LDBAOKZBPNGKCG-UHFFFAOYSA-N	0	3	301.434	2.836	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180168650	333159132	/nfs/dbraw/zinc/15/91/32/333159132.db2.gz	QRABEVQWXRZJID-KRWDZBQOSA-N	0	3	313.445	2.948	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N2CCCN(C(C)C)CC2)cc1	ZINC000294569702	335125772	/nfs/dbraw/zinc/12/57/72/335125772.db2.gz	LMPOPEXWCBXQRB-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
N#CCCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1	ZINC000181522211	333169926	/nfs/dbraw/zinc/16/99/26/333169926.db2.gz	NYKFYKTUNKEMKN-UHFFFAOYSA-N	0	3	307.760	2.843	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)C(C)(C)c1ccccc1	ZINC000181777443	333172430	/nfs/dbraw/zinc/17/24/30/333172430.db2.gz	STCITISJTNPBCB-DNVCBOLYSA-N	0	3	315.461	2.997	20	30		DFEDHN
C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181805189	333172652	/nfs/dbraw/zinc/17/26/52/333172652.db2.gz	DKQZZKHJWMDJSU-ZDUSSCGKSA-N	0	3	304.390	2.971	20	30		DFEDHN
CSCCON=C(N)c1ccccc1CN1CCCCC1	ZINC000181882274	333173324	/nfs/dbraw/zinc/17/33/24/333173324.db2.gz	UKDNCEUFJHLDFG-UHFFFAOYSA-N	0	3	307.463	2.672	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363818882	333178437	/nfs/dbraw/zinc/17/84/37/333178437.db2.gz	JXWLDHFYJIAKSH-AEFFLSMTSA-N	0	3	313.445	2.704	20	30		DFEDHN
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C1CC1	ZINC000184617795	333199290	/nfs/dbraw/zinc/19/92/90/333199290.db2.gz	JIFUKAPPTWACOQ-CYBMUJFWSA-N	0	3	316.405	2.535	20	30		DFEDHN
C[C@]1(CNC(=O)C2(C#N)CCC2)CCN(Cc2ccccc2)C1	ZINC000309891901	333205650	/nfs/dbraw/zinc/20/56/50/333205650.db2.gz	MPXOCCMXXHUELU-GOSISDBHSA-N	0	3	311.429	2.709	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1	ZINC000185814234	333214559	/nfs/dbraw/zinc/21/45/59/333214559.db2.gz	PBYCFLZSCHSETN-MAUKXSAKSA-N	0	3	311.429	2.981	20	30		DFEDHN
C[C@H](C#N)Oc1ccccc1NC(=O)C1CCN(C2CC2)CC1	ZINC000192816950	333293364	/nfs/dbraw/zinc/29/33/64/333293364.db2.gz	FQAJXSGJFQGDGE-CYBMUJFWSA-N	0	3	313.401	2.790	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1cnn(Cc2ccccc2)c1	ZINC000295131576	335132539	/nfs/dbraw/zinc/13/25/39/335132539.db2.gz	ZZSDUQXRVKZVCP-QGZVFWFLSA-N	0	3	310.445	2.537	20	30		DFEDHN
NC(=NOCc1cccnc1)c1cccc(CN2CCCCC2)c1	ZINC000193589835	333304637	/nfs/dbraw/zinc/30/46/37/333304637.db2.gz	QHUGKHUSVHTBTQ-UHFFFAOYSA-N	0	3	324.428	2.905	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1	ZINC000118821295	333341783	/nfs/dbraw/zinc/34/17/83/333341783.db2.gz	AFTYJPGRDMBTKJ-OAHLLOKOSA-N	0	3	315.417	2.504	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000295287907	335134704	/nfs/dbraw/zinc/13/47/04/335134704.db2.gz	JANFUXUULQMKFT-CQSZACIVSA-N	0	3	321.490	2.944	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)NCCCCC#N	ZINC000521418403	333376943	/nfs/dbraw/zinc/37/69/43/333376943.db2.gz	SLNTURFUIJMOTD-UHFFFAOYSA-N	0	3	304.394	2.572	20	30		DFEDHN
CC(C)[C@H]1C[C@@H](NC[C@@H](O)CN(C)CCC#N)c2ccccc21	ZINC000521427668	333381765	/nfs/dbraw/zinc/38/17/65/333381765.db2.gz	NDZNDZFLEIDBAZ-ATZDWAIDSA-N	0	3	315.461	2.667	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000296018529	335139460	/nfs/dbraw/zinc/13/94/60/335139460.db2.gz	YXQICBYYWXIGMO-DOTOQJQBSA-N	0	3	314.429	2.643	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]2CCC2CCCC2)CCC1	ZINC000525886015	335141000	/nfs/dbraw/zinc/14/10/00/335141000.db2.gz	DSKNHUMCPXMTCA-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000320811011	335146069	/nfs/dbraw/zinc/14/60/69/335146069.db2.gz	XCDKIALTXHSFHY-GXTWGEPZSA-N	0	3	309.406	2.690	20	30		DFEDHN
C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000433870478	333604255	/nfs/dbraw/zinc/60/42/55/333604255.db2.gz	QSFLQEUPRFXZGN-CQSZACIVSA-N	0	3	310.463	2.771	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(SC)cc1	ZINC000296928113	335150188	/nfs/dbraw/zinc/15/01/88/335150188.db2.gz	OOZSKIQEMHYOOR-AWEZNQCLSA-N	0	3	319.474	2.724	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC(c2ccsc2)CC1	ZINC000296968152	335150327	/nfs/dbraw/zinc/15/03/27/335150327.db2.gz	RHXBLZWAHPSRRO-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccccc1Cl	ZINC000296983291	335150604	/nfs/dbraw/zinc/15/06/04/335150604.db2.gz	SERCVOSIMODBEQ-AWEZNQCLSA-N	0	3	321.852	2.998	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)c(F)c1	ZINC000185834404	335154132	/nfs/dbraw/zinc/15/41/32/335154132.db2.gz	DDNQXXUODFIPIL-XJKSGUPXSA-N	0	3	323.387	2.928	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1	ZINC000412046451	333723532	/nfs/dbraw/zinc/72/35/32/333723532.db2.gz	UBCKKANYQODZMQ-WMZOPIPTSA-N	0	3	302.393	2.638	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@H]2c2nccn2C)cc1	ZINC000343396855	335161937	/nfs/dbraw/zinc/16/19/37/335161937.db2.gz	IVQMTUBRVSLTQL-IAGOWNOFSA-N	0	3	313.401	2.605	20	30		DFEDHN
C#CCSCCNCc1ccc(OC)c(OCCCC#N)c1	ZINC000265753050	333968318	/nfs/dbraw/zinc/96/83/18/333968318.db2.gz	HYVHJBRUENKANT-UHFFFAOYSA-N	0	3	318.442	2.834	20	30		DFEDHN
N#CCCn1cc(CN2CCC[C@H](CO)C2)c(-c2ccccc2)n1	ZINC000269332944	334000282	/nfs/dbraw/zinc/00/02/82/334000282.db2.gz	CRIPAEDWOODQAS-INIZCTEOSA-N	0	3	324.428	2.668	20	30		DFEDHN
N#CCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000270289092	334010381	/nfs/dbraw/zinc/01/03/81/334010381.db2.gz	NUDOQJGZQGTPTO-LJQANCHMSA-N	0	3	319.408	2.757	20	30		DFEDHN
CC[C@@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1O	ZINC000271246875	334020430	/nfs/dbraw/zinc/02/04/30/334020430.db2.gz	CNTCFDNGAOAQNF-HZPDHXFCSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc([C@@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000271773591	334026705	/nfs/dbraw/zinc/02/67/05/334026705.db2.gz	AHXDFZROPIARLE-DYVFJYSZSA-N	0	3	317.408	2.935	20	30		DFEDHN
CCOc1ccccc1[C@@H](CC)NCCC(=O)N(C)CCC#N	ZINC000271790567	334026997	/nfs/dbraw/zinc/02/69/97/334026997.db2.gz	QMBVMNXQJWGZDN-MRXNPFEDSA-N	0	3	317.433	2.888	20	30		DFEDHN
CC(C)(C#N)CCN[C@@H](CN1CCOCC1)c1ccccc1	ZINC000272020793	334029752	/nfs/dbraw/zinc/02/97/52/334029752.db2.gz	MWQHYRVDFVTVFU-KRWDZBQOSA-N	0	3	301.434	2.589	20	30		DFEDHN
CC1(C#N)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1	ZINC000272537997	334037002	/nfs/dbraw/zinc/03/70/02/334037002.db2.gz	OMAQWMVSXKQOOQ-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
CC1(C#N)CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000272608516	334038092	/nfs/dbraw/zinc/03/80/92/334038092.db2.gz	SAURHZMSHAQDDT-AWEZNQCLSA-N	0	3	313.401	2.533	20	30		DFEDHN
CCc1ccc([C@H](CN2CCOCC2)NCCCC#N)cc1	ZINC000273182136	334044256	/nfs/dbraw/zinc/04/42/56/334044256.db2.gz	FGIWBYDGSHMOBD-SFHVURJKSA-N	0	3	301.434	2.516	20	30		DFEDHN
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ncnn1C	ZINC000276701036	334084710	/nfs/dbraw/zinc/08/47/10/334084710.db2.gz	VTVJPLIUZVQELW-MXWWQKGMSA-N	0	3	309.417	2.870	20	30		DFEDHN
COc1ccc(CN(C)CCCCO)cc1OCCCC#N	ZINC000276723213	334084803	/nfs/dbraw/zinc/08/48/03/334084803.db2.gz	WUNOLZFGUKNFOT-UHFFFAOYSA-N	0	3	306.406	2.582	20	30		DFEDHN
CN1C(=O)C[C@@H](NCCC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1	ZINC000276957566	334085788	/nfs/dbraw/zinc/08/57/88/334085788.db2.gz	PNCWLFZQCDDECC-ZBFHGGJFSA-N	0	3	321.371	2.766	20	30		DFEDHN
CN1C(=O)C[C@H](NCCC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1	ZINC000276957563	334085857	/nfs/dbraw/zinc/08/58/57/334085857.db2.gz	PNCWLFZQCDDECC-HOCLYGCPSA-N	0	3	321.371	2.766	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(CC#N)cc2)C[C@H]1CC	ZINC000343554566	335172017	/nfs/dbraw/zinc/17/20/17/335172017.db2.gz	QDERCEIYDORGMI-LJQANCHMSA-N	0	3	315.461	2.685	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC(C)(C)C#N	ZINC000278257198	334093954	/nfs/dbraw/zinc/09/39/54/334093954.db2.gz	CROOFVPZTMZDIF-UHFFFAOYSA-N	0	3	323.387	2.795	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)Nc3ccccc3)CC2)C1	ZINC000278683330	334099582	/nfs/dbraw/zinc/09/95/82/334099582.db2.gz	RSTWFPVCZMHKBD-RHSMWYFYSA-N	0	3	312.417	2.965	20	30		DFEDHN
CC(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1	ZINC000279100813	334105664	/nfs/dbraw/zinc/10/56/64/334105664.db2.gz	OGTLJPSKXWHKMM-CYBMUJFWSA-N	0	3	324.384	2.793	20	30		DFEDHN
CCCN(CC(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279322350	334107753	/nfs/dbraw/zinc/10/77/53/334107753.db2.gz	OFXXEUZBDTVNHI-CQSZACIVSA-N	0	3	305.328	2.744	20	30		DFEDHN
CC1(C#N)CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1	ZINC000280573991	334118296	/nfs/dbraw/zinc/11/82/96/334118296.db2.gz	WFRLLVKKRJPUOT-UHFFFAOYSA-N	0	3	311.429	2.661	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000353447377	334120825	/nfs/dbraw/zinc/12/08/25/334120825.db2.gz	KETOSMOYWCXPBB-IBGZPJMESA-N	0	3	321.509	2.606	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1	ZINC000340069935	334122071	/nfs/dbraw/zinc/12/20/71/334122071.db2.gz	XIEGFHCAPJEFML-SFHVURJKSA-N	0	3	307.397	2.785	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@@H]2C1	ZINC000281097183	334123038	/nfs/dbraw/zinc/12/30/38/334123038.db2.gz	GIPFMNVSPZEWEU-RHSMWYFYSA-N	0	3	311.429	2.654	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000282281012	334132971	/nfs/dbraw/zinc/13/29/71/334132971.db2.gz	KZTGKLDLRHPSCL-LCSDZXHASA-N	0	3	317.820	2.894	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000282281006	334133143	/nfs/dbraw/zinc/13/31/43/334133143.db2.gz	KZTGKLDLRHPSCL-FIUQPQMISA-N	0	3	317.820	2.894	20	30		DFEDHN
O=C1CC2(CCCCC2)CC(=O)C1=CNNc1ncccc1F	ZINC000284937763	334145002	/nfs/dbraw/zinc/14/50/02/334145002.db2.gz	CSMYADWJJOCWEV-UHFFFAOYSA-N	0	3	317.364	2.904	20	30		DFEDHN
C[C@H](CC#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285351041	334147251	/nfs/dbraw/zinc/14/72/51/334147251.db2.gz	ZFWLYKRSKDUETI-UKRRQHHQSA-N	0	3	321.371	2.562	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC(C)(C)[C@H]1c1cccs1	ZINC000286662492	334154017	/nfs/dbraw/zinc/15/40/17/334154017.db2.gz	AUWRMXFTAQHBPW-OAHLLOKOSA-N	0	3	305.447	2.893	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1N(C)C	ZINC000343584371	335179455	/nfs/dbraw/zinc/17/94/55/335179455.db2.gz	OEURUKZZBRXBEF-JKSUJKDBSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1	ZINC000289945538	334169787	/nfs/dbraw/zinc/16/97/87/334169787.db2.gz	WDODQPLOJIJXKY-MWLCHTKSSA-N	0	3	300.196	2.655	20	30		DFEDHN
CCc1ccc([C@@H](C#N)NC(=O)C2CCN(C3CC3)CC2)cc1	ZINC000290111171	334171015	/nfs/dbraw/zinc/17/10/15/334171015.db2.gz	FOVBZKDOBCKIAJ-GOSISDBHSA-N	0	3	311.429	2.804	20	30		DFEDHN
C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000290341318	334172462	/nfs/dbraw/zinc/17/24/62/334172462.db2.gz	PLVUEBJYBFIXBJ-IRWQIABSSA-N	0	3	324.380	2.734	20	30		DFEDHN
COCCOCc1ccc(CN2CCC(C)(C#N)CC2)cc1	ZINC000290343877	334172497	/nfs/dbraw/zinc/17/24/97/334172497.db2.gz	LGUFACHILUCEIM-UHFFFAOYSA-N	0	3	302.418	2.975	20	30		DFEDHN
CC1(C)C[C@@]1(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000291612778	334180223	/nfs/dbraw/zinc/18/02/23/334180223.db2.gz	HKVUKWPQYWQXNO-IBGZPJMESA-N	0	3	311.429	2.707	20	30		DFEDHN
CCc1ccc([C@@H](C#N)NC(=O)[C@H](C2CC2)N2CCCC2)cc1	ZINC000293320180	334197105	/nfs/dbraw/zinc/19/71/05/334197105.db2.gz	JAYXVDBMFJAOLO-MSOLQXFVSA-N	0	3	311.429	2.804	20	30		DFEDHN
COc1cccc(CN(CCOCCC#N)C[C@H]2CCCO2)c1	ZINC000293459160	334198123	/nfs/dbraw/zinc/19/81/23/334198123.db2.gz	LBDJKWAPNPFHCP-GOSISDBHSA-N	0	3	318.417	2.606	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(C(=O)CCCC#N)CC1	ZINC000293504289	334198515	/nfs/dbraw/zinc/19/85/15/334198515.db2.gz	ZEJHTCVHYXZLLV-KRWDZBQOSA-N	0	3	314.433	2.588	20	30		DFEDHN
COc1ccccc1COC1CCN(CCOCCC#N)CC1	ZINC000293743970	334201673	/nfs/dbraw/zinc/20/16/73/334201673.db2.gz	HYCPJGSHPGMBBJ-UHFFFAOYSA-N	0	3	318.417	2.606	20	30		DFEDHN
N#CC1CCC(C[NH2+][C@H](c2nnc[n-]2)c2ccc(F)cc2)CC1	ZINC000294425678	334209690	/nfs/dbraw/zinc/20/96/90/334209690.db2.gz	UNRWSNXSNLWAAC-ZUEPYMLJSA-N	0	3	313.380	2.953	20	30		DFEDHN
C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CC[C@@H](CC#N)C1	ZINC000294931680	334214300	/nfs/dbraw/zinc/21/43/00/334214300.db2.gz	BOMYPPIOWVDOHD-ILXRZTDVSA-N	0	3	306.431	2.521	20	30		DFEDHN
COCOc1ccc(OC)cc1CN[C@H]1CC[C@@H](CC#N)C1	ZINC000295006810	334215514	/nfs/dbraw/zinc/21/55/14/334215514.db2.gz	JBFUKIWSDCYQPS-ZFWWWQNUSA-N	0	3	304.390	2.850	20	30		DFEDHN
CN(C)c1ncccc1O[C@@H]1CCN(CCC(C)(C)C#N)C1	ZINC000295945185	334228678	/nfs/dbraw/zinc/22/86/78/334228678.db2.gz	LJJNMZGPBYNMGX-CQSZACIVSA-N	0	3	302.422	2.541	20	30		DFEDHN
Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@H](C)CCC#N	ZINC000298346285	334247881	/nfs/dbraw/zinc/24/78/81/334247881.db2.gz	BQWWKLZSYZKLAV-SNPRPXQTSA-N	0	3	324.469	2.988	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000298786657	334251462	/nfs/dbraw/zinc/25/14/62/334251462.db2.gz	YEAHJSIOZUJTNK-AWEZNQCLSA-N	0	3	317.408	2.846	20	30		DFEDHN
C[C@@H]1CCC[C@](C/N=C/c2ccc(O)c([O-])c2O)([NH+](C)C)C1	ZINC000299011779	334252235	/nfs/dbraw/zinc/25/22/35/334252235.db2.gz	DAAUUSMUGXTCCU-BANARVHJSA-N	0	3	306.406	2.733	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(Nc3cccnn3)CC2)cc1	ZINC000120310097	334315492	/nfs/dbraw/zinc/31/54/92/334315492.db2.gz	FUNGNICFXBRSLD-UHFFFAOYSA-N	0	3	322.412	2.565	20	30		DFEDHN
C=CCCS(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000120322470	334315545	/nfs/dbraw/zinc/31/55/45/334315545.db2.gz	VQDPUYDKTXLWCZ-CQSZACIVSA-N	0	3	310.463	2.611	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)CC1	ZINC000111693113	334355032	/nfs/dbraw/zinc/35/50/32/334355032.db2.gz	YDGBJDXVINNWBD-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1	ZINC000111835487	334358257	/nfs/dbraw/zinc/35/82/57/334358257.db2.gz	RYPSZDMUCSXDOR-GOSISDBHSA-N	0	3	315.461	2.767	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC1(CCO)CCCC1	ZINC000340747594	334384529	/nfs/dbraw/zinc/38/45/29/334384529.db2.gz	QRQOWILUVQWCTQ-MRXNPFEDSA-N	0	3	300.402	2.570	20	30		DFEDHN
C=CCOCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000340778516	334385283	/nfs/dbraw/zinc/38/52/83/334385283.db2.gz	NQCLWHJLDWVUPQ-OAHLLOKOSA-N	0	3	302.418	2.531	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC#Cc1ccccc1	ZINC000341106228	334409385	/nfs/dbraw/zinc/40/93/85/334409385.db2.gz	WDARDOXNWBXSBP-IRXDYDNUSA-N	0	3	313.445	2.600	20	30		DFEDHN
C=CC[C@H](CO)CN[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000341886087	334489844	/nfs/dbraw/zinc/48/98/44/334489844.db2.gz	NGIXKCRNYHZOOH-CABCVRRESA-N	0	3	302.418	2.649	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCN3)CC1	ZINC000415862775	334622738	/nfs/dbraw/zinc/62/27/38/334622738.db2.gz	KTGMXIYFPLKWAL-UHFFFAOYSA-N	0	3	314.433	2.817	20	30		DFEDHN
C[C@@H]1C[C@@H](C(=O)NCC2(N3CCCC3)CCOCC2)CCC1=O	ZINC000328894630	334764080	/nfs/dbraw/zinc/76/40/80/334764080.db2.gz	AXPSQBHEFYUOGK-CABCVRRESA-N	0	3	322.449	2.593	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCCCC#N)c1cccc(OC)c1	ZINC000344050568	335213274	/nfs/dbraw/zinc/21/32/74/335213274.db2.gz	HOWSKMXWMXHADI-QGZVFWFLSA-N	0	3	304.390	2.757	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000344236435	335230860	/nfs/dbraw/zinc/23/08/60/335230860.db2.gz	MPYRCMPBSFXNAF-DZGCQCFKSA-N	0	3	307.463	2.928	20	30		DFEDHN
C=CCCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000344286589	335236766	/nfs/dbraw/zinc/23/67/66/335236766.db2.gz	MLQDAXOQZCIZKX-UHFFFAOYSA-N	0	3	315.461	2.623	20	30		DFEDHN
COC(=O)c1cc2c(o1)c(OC)ccc2CNCCCC#N	ZINC000344330823	335241445	/nfs/dbraw/zinc/24/14/45/335241445.db2.gz	VYHCNYFVFSOYQJ-UHFFFAOYSA-N	0	3	302.330	2.621	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C(C)C)C(F)(F)F)CC1	ZINC000344400095	335245888	/nfs/dbraw/zinc/24/58/88/335245888.db2.gz	RGLIPOBENBYYNA-CYBMUJFWSA-N	0	3	321.387	2.913	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1Cn1ccnn1	ZINC000344419207	335247400	/nfs/dbraw/zinc/24/74/00/335247400.db2.gz	OFLOGXYSBCDAEA-MRXNPFEDSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1	ZINC000113231738	335264265	/nfs/dbraw/zinc/26/42/65/335264265.db2.gz	RHNLRWTZCAYSTL-GDBMZVCRSA-N	0	3	300.402	2.560	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)n1C)C(C)C	ZINC000344792332	335277702	/nfs/dbraw/zinc/27/77/02/335277702.db2.gz	UDIZBSYMUUMFNS-QGZVFWFLSA-N	0	3	303.450	2.762	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(C(F)(F)F)c2)nc(C)n1	ZINC000344858271	335285450	/nfs/dbraw/zinc/28/54/50/335285450.db2.gz	ZFVBGFZAFAUJSS-GFCCVEGCSA-N	0	3	320.274	2.997	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc2cc(Br)ccc2[nH]1	ZINC000345026967	335293164	/nfs/dbraw/zinc/29/31/64/335293164.db2.gz	ZCRAVNVDJYELOQ-MRVPVSSYSA-N	0	3	306.163	2.706	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1	ZINC000345109555	335298948	/nfs/dbraw/zinc/29/89/48/335298948.db2.gz	HDDLRDFEEUOYEZ-JTQLQIEISA-N	0	3	312.200	2.802	20	30		DFEDHN
CC(C)N1C(=O)N[C@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21	ZINC000345557073	335334667	/nfs/dbraw/zinc/33/46/67/335334667.db2.gz	ODASOMCDPKCFCN-GJZGRUSLSA-N	0	3	306.454	2.583	20	30		DFEDHN
Cc1c([C@@H](C)NC(=O)C(C)C#N)cnn1-c1ccc(F)cc1	ZINC000345776973	335350628	/nfs/dbraw/zinc/35/06/28/335350628.db2.gz	KQHFXJKUQFFXLR-GHMZBOCLSA-N	0	3	300.337	2.657	20	30		DFEDHN
Cc1c([C@H](C)NC(=O)C(C)C#N)cnn1-c1ccc(F)cc1	ZINC000345777793	335350893	/nfs/dbraw/zinc/35/08/93/335350893.db2.gz	KQHFXJKUQFFXLR-QWRGUYRKSA-N	0	3	300.337	2.657	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1ccncn1	ZINC000345999714	335368758	/nfs/dbraw/zinc/36/87/58/335368758.db2.gz	XFNQFPVAQRHCCD-SECBINFHSA-N	0	3	307.231	2.707	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1	ZINC000346094661	335374540	/nfs/dbraw/zinc/37/45/40/335374540.db2.gz	ZNFZFFAECZZSCX-CYBMUJFWSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccccc2SC)CC1	ZINC000347523903	335502137	/nfs/dbraw/zinc/50/21/37/335502137.db2.gz	SOBNVVJSYYUVDE-UHFFFAOYSA-N	0	3	304.459	2.718	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)c2cccnc2)CC1	ZINC000350768756	335781265	/nfs/dbraw/zinc/78/12/65/335781265.db2.gz	RKUIHHGVPQEPMB-UHFFFAOYSA-N	0	3	301.434	2.516	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)NCC1(c2cccc(OC)c2)CCCC1	ZINC000108407225	335837949	/nfs/dbraw/zinc/83/79/49/335837949.db2.gz	PCCDCRMBRLQWNX-OAHLLOKOSA-N	0	3	316.445	2.787	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1ccc2nsnc2c1	ZINC000329080585	335938103	/nfs/dbraw/zinc/93/81/03/335938103.db2.gz	CQBOGUDEGJHRHE-NSHDSACASA-N	0	3	304.419	2.870	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NCCN2CC[C@H](C)C2)cc1	ZINC000582220956	336022846	/nfs/dbraw/zinc/02/28/46/336022846.db2.gz	RJVBKEDJYMAFCP-MAUKXSAKSA-N	0	3	301.434	2.971	20	30		DFEDHN
C=CCN(CCn1nc2ccccn2c1=O)CC1CCCCC1	ZINC000351811532	336069639	/nfs/dbraw/zinc/06/96/39/336069639.db2.gz	RTBFQIIEIMFIEB-UHFFFAOYSA-N	0	3	314.433	2.564	20	30		DFEDHN
C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000329764017	336079256	/nfs/dbraw/zinc/07/92/56/336079256.db2.gz	VFTQUMIORGKXPW-DNMXQMFDSA-N	0	3	317.433	2.503	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCOc3ccccc32)CCN1C	ZINC000329787927	336081732	/nfs/dbraw/zinc/08/17/32/336081732.db2.gz	ZELZJBSZEIRASS-RBSFLKMASA-N	0	3	317.433	2.539	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21	ZINC000329879318	336091808	/nfs/dbraw/zinc/09/18/08/336091808.db2.gz	MBJXYILZOMERJZ-ZOWXZIJZSA-N	0	3	303.406	2.994	20	30		DFEDHN
C[C@H](C(=O)NC[C@H](C)N1CCCCC1=O)N1CCCCCC1	ZINC000329892128	336092849	/nfs/dbraw/zinc/09/28/49/336092849.db2.gz	AAZWJWFTPLHKTD-LSDHHAIUSA-N	0	3	309.454	2.608	20	30		DFEDHN
C[C@H](C(=O)NC[C@H]1CCc2nccn2C1)N1CCCCCC1	ZINC000329923057	336095735	/nfs/dbraw/zinc/09/57/35/336095735.db2.gz	UGEALKUUQYYNLH-HUUCEWRRSA-N	0	3	304.438	2.667	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000329923801	336095865	/nfs/dbraw/zinc/09/58/65/336095865.db2.gz	URJWYWLYCNBBJZ-NFAWXSAZSA-N	0	3	301.365	2.603	20	30		DFEDHN
CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)N1CCCC1=O	ZINC000329948588	336098545	/nfs/dbraw/zinc/09/85/45/336098545.db2.gz	KVHIFDTXTMDPRT-DOTOQJQBSA-N	0	3	321.465	2.607	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)NC1CCN(c2cc(C)[nH]n2)CC1	ZINC000329950136	336098970	/nfs/dbraw/zinc/09/89/70/336098970.db2.gz	HQORIJMIDWWWSV-OAHLLOKOSA-N	0	3	319.453	2.518	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	ZINC000329950907	336098995	/nfs/dbraw/zinc/09/89/95/336098995.db2.gz	MOILQZLMWBOFJK-MYPMTAMASA-N	0	3	320.437	2.561	20	30		DFEDHN
CCC[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1	ZINC000329957358	336099621	/nfs/dbraw/zinc/09/96/21/336099621.db2.gz	PKAHDTBGWUEDIX-HUUCEWRRSA-N	0	3	304.438	2.872	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)CCc2cccc3c2OCO3)CCN1C	ZINC000329962720	336100388	/nfs/dbraw/zinc/10/03/88/336100388.db2.gz	PJSGFINNIJBELT-TZMCWYRMSA-N	0	3	304.390	2.787	20	30		DFEDHN
COC1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCC(C)CC1	ZINC000329996696	336104341	/nfs/dbraw/zinc/10/43/41/336104341.db2.gz	PHAXUXHIJMOXPR-NWPKHEMWSA-N	0	3	323.481	2.711	20	30		DFEDHN
CN(C)C1(CNC(=O)Cc2ccc3c(c2)NC(=O)C3)CCC1	ZINC000329999336	336104558	/nfs/dbraw/zinc/10/45/58/336104558.db2.gz	UORZDJXPRWWBGP-UHFFFAOYSA-N	0	3	301.390	2.814	20	30		DFEDHN
CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)C1	ZINC000330199454	336123589	/nfs/dbraw/zinc/12/35/89/336123589.db2.gz	VLPXCFKLVGPYDT-QLFBSQMISA-N	0	3	304.438	2.916	20	30		DFEDHN
CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1	ZINC000330199454	336123590	/nfs/dbraw/zinc/12/35/90/336123590.db2.gz	VLPXCFKLVGPYDT-QLFBSQMISA-N	0	3	304.438	2.916	20	30		DFEDHN
COCCn1nc(C)c(NC(=O)C2CCN(C3CC3)CC2)c1C	ZINC000330217941	336125685	/nfs/dbraw/zinc/12/56/85/336125685.db2.gz	IYTYRBACYBHUOY-UHFFFAOYSA-N	0	3	320.437	2.609	20	30		DFEDHN
Cc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000330257891	336130729	/nfs/dbraw/zinc/13/07/29/336130729.db2.gz	LZGMAXZTOUKEDY-IAOVAPTHSA-N	0	3	302.418	2.997	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(C(=O)NCc3ccccc3)CC2)C1	ZINC000331958813	336154436	/nfs/dbraw/zinc/15/44/36/336154436.db2.gz	PZKLNRKFONCGFB-FUHWJXTLSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCC[C@@H](C)C1	ZINC000333173578	336199251	/nfs/dbraw/zinc/19/92/51/336199251.db2.gz	KVOVSEKWUKMXHL-VKJFTORMSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333214984	336199856	/nfs/dbraw/zinc/19/98/56/336199856.db2.gz	QMBAIMJTJXVSDH-RKVPGOIHSA-N	0	3	303.450	2.697	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncn1	ZINC000352304284	336211221	/nfs/dbraw/zinc/21/12/21/336211221.db2.gz	GIFVCBFDGZRPGY-NSHDSACASA-N	0	3	322.246	2.621	20	30		DFEDHN
C=C(C)CCN1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000352420834	336217552	/nfs/dbraw/zinc/21/75/52/336217552.db2.gz	HKARSPUQSMMPRQ-IRXDYDNUSA-N	0	3	312.413	2.602	20	30		DFEDHN
Cc1nnc(CCNCc2cccc(OCCCC#N)c2)s1	ZINC000352465407	336220673	/nfs/dbraw/zinc/22/06/73/336220673.db2.gz	JMWVBTTVMGMWDT-UHFFFAOYSA-N	0	3	316.430	2.861	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(CNC(C)=O)CC1	ZINC000352682247	336230120	/nfs/dbraw/zinc/23/01/20/336230120.db2.gz	OSTGXXIXKVUSCQ-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC2CC(C(F)(F)F)C2)CC1	ZINC000352825067	336259545	/nfs/dbraw/zinc/25/95/45/336259545.db2.gz	ICTUGWHWJSKJNF-UHFFFAOYSA-N	0	3	319.371	2.667	20	30		DFEDHN
C=CCN(CCc1ccco1)Cc1ccc2c(c1)oc(=O)n2C	ZINC000352826137	336262459	/nfs/dbraw/zinc/26/24/59/336262459.db2.gz	AGTZAHPOBIXDOS-UHFFFAOYSA-N	0	3	312.369	2.955	20	30		DFEDHN
C=C(CC)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000352885833	336330862	/nfs/dbraw/zinc/33/08/62/336330862.db2.gz	DUZSVYFQLSPYIY-FQEVSTJZSA-N	0	3	313.489	2.845	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2C(C)C)c(OC)c1	ZINC000353027636	336380532	/nfs/dbraw/zinc/38/05/32/336380532.db2.gz	OLRSMAIKSZBOLU-DLBZAZTESA-N	0	3	319.445	2.894	20	30		DFEDHN
CC(C)NC(=O)NCCN[C@@H](CCCC#N)c1ccccc1	ZINC000571674002	336382991	/nfs/dbraw/zinc/38/29/91/336382991.db2.gz	LRGPNLKCDSSPNF-INIZCTEOSA-N	0	3	302.422	2.719	20	30		DFEDHN
C=CCCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000353044718	336390093	/nfs/dbraw/zinc/39/00/93/336390093.db2.gz	UGDKJCOMOLANNR-KRWDZBQOSA-N	0	3	303.450	2.815	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[C@@H]32)c(OC)c1	ZINC000353054141	336391749	/nfs/dbraw/zinc/39/17/49/336391749.db2.gz	WKDSTRXYLJNKMQ-ZACQAIPSSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=CCOc1ccc(CNCCc2cc(C)no2)cc1OC	ZINC000353090624	336400316	/nfs/dbraw/zinc/40/03/16/336400316.db2.gz	UOPBKVAYLMFGRU-UHFFFAOYSA-N	0	3	302.374	2.889	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(SC)n2)CC1	ZINC000353133019	336404029	/nfs/dbraw/zinc/40/40/29/336404029.db2.gz	YLJMLAVCAYOIDY-UHFFFAOYSA-N	0	3	320.462	2.966	20	30		DFEDHN
C=CCC[C@@H](NC1CCN(C(=O)COC)CC1)c1ccco1	ZINC000353392602	336415010	/nfs/dbraw/zinc/41/50/10/336415010.db2.gz	GLUUQBZINYTXCS-OAHLLOKOSA-N	0	3	306.406	2.514	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)C1CCN(Cc2cccnc2)CC1	ZINC000367166331	336453534	/nfs/dbraw/zinc/45/35/34/336453534.db2.gz	ZESIUMJGKISPRA-QGZVFWFLSA-N	0	3	301.434	2.765	20	30		DFEDHN
C=C(C)COCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000354332612	336467111	/nfs/dbraw/zinc/46/71/11/336467111.db2.gz	AQMXZDDSFCDECH-WBVHZDCISA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CC[C@H](CC)N[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000354814700	336483394	/nfs/dbraw/zinc/48/33/94/336483394.db2.gz	ZPDZKZZAAGGHSD-QWHCGFSZSA-N	0	3	311.223	2.920	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1c(C)cccc1C	ZINC000355067256	336493628	/nfs/dbraw/zinc/49/36/28/336493628.db2.gz	UMWSNSWCELHZIF-CJNGLKHVSA-N	0	3	301.434	2.962	20	30		DFEDHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1cc2cccc(F)c2o1	ZINC000355732959	336520416	/nfs/dbraw/zinc/52/04/16/336520416.db2.gz	RPJDAJOONGKCRL-GFCCVEGCSA-N	0	3	317.364	2.985	20	30		DFEDHN
CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CN2CCC1CC2	ZINC000355998791	336531550	/nfs/dbraw/zinc/53/15/50/336531550.db2.gz	LPEJZDARZLIMBB-MSOLQXFVSA-N	0	3	311.429	2.627	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000356262601	336543251	/nfs/dbraw/zinc/54/32/51/336543251.db2.gz	YCBFNEYUVKDWLB-DKIMLUQUSA-N	0	3	316.445	2.775	20	30		DFEDHN
C=C(C)COCCN[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1	ZINC000357459464	336585887	/nfs/dbraw/zinc/58/58/87/336585887.db2.gz	NYURSENKASJAMO-KZNAEPCWSA-N	0	3	305.418	2.794	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)C(=O)NCC(C)(C)C#N)c1	ZINC000358628050	336637351	/nfs/dbraw/zinc/63/73/51/336637351.db2.gz	PSTJVESBGNIIEH-UHFFFAOYSA-N	0	3	316.449	2.618	20	30		DFEDHN
C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccccn1	ZINC000358783870	336643240	/nfs/dbraw/zinc/64/32/40/336643240.db2.gz	HFVUSCGNIRZZRU-LBPRGKRZSA-N	0	3	303.435	2.568	20	30		DFEDHN
C=C[C@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000362494510	336800487	/nfs/dbraw/zinc/80/04/87/336800487.db2.gz	MGZRQSFGTHVKLK-HNNXBMFYSA-N	0	3	316.449	2.833	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000369748114	336871086	/nfs/dbraw/zinc/87/10/86/336871086.db2.gz	IEDMVCCPGZNLLL-MRXNPFEDSA-N	0	3	313.445	2.670	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](c2ccccc2)C2CCOCC2)C1=O	ZINC000370242969	336880561	/nfs/dbraw/zinc/88/05/61/336880561.db2.gz	UDYHWOBCYMJMDM-ZWKOTPCHSA-N	0	3	314.429	2.531	20	30		DFEDHN
C#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000370426015	336884810	/nfs/dbraw/zinc/88/48/10/336884810.db2.gz	VULUYCABYDANIF-ROUUACIJSA-N	0	3	313.445	2.707	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(C)nc1)C(C)C	ZINC000120085407	336895737	/nfs/dbraw/zinc/89/57/37/336895737.db2.gz	VWTRMMVLRVGWIC-SFHVURJKSA-N	0	3	315.461	2.747	20	30		DFEDHN
C[C@H](CCCOc1ccccc1C(N)=O)NCC1(C#N)CCC1	ZINC000418145926	336896896	/nfs/dbraw/zinc/89/68/96/336896896.db2.gz	ZNYHJWSTVNHDPZ-CQSZACIVSA-N	0	3	315.417	2.616	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@H]2CCc3nccn3C2)cc1	ZINC000373027555	336946175	/nfs/dbraw/zinc/94/61/75/336946175.db2.gz	FPOITBLAMNLCGD-RDJZCZTQSA-N	0	3	310.401	2.841	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21	ZINC000375143013	337004372	/nfs/dbraw/zinc/00/43/72/337004372.db2.gz	USOQDUWQGWMCLT-CABCVRRESA-N	0	3	302.418	2.945	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375350290	337008604	/nfs/dbraw/zinc/00/86/04/337008604.db2.gz	UUDIUFSSCWYCBI-HNNXBMFYSA-N	0	3	310.388	2.804	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	ZINC000375610500	337014539	/nfs/dbraw/zinc/01/45/39/337014539.db2.gz	FTFYJASHEIANAL-ZIFCJYIRSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1	ZINC000305722936	337034166	/nfs/dbraw/zinc/03/41/66/337034166.db2.gz	KNQDQQVPCXTIRR-CVEARBPZSA-N	0	3	312.417	2.936	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1CCCC1(C#N)CCOCC1	ZINC000377115925	337047043	/nfs/dbraw/zinc/04/70/43/337047043.db2.gz	UMHAEEQBDOMNMH-IAGOWNOFSA-N	0	3	305.466	2.646	20	30		DFEDHN
C=C(C)CCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377555024	337055044	/nfs/dbraw/zinc/05/50/44/337055044.db2.gz	QDUZWBWLHZKJLH-INIZCTEOSA-N	0	3	323.481	2.580	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000377882786	337063195	/nfs/dbraw/zinc/06/31/95/337063195.db2.gz	DRZYUXTVTYSORR-IRXDYDNUSA-N	0	3	313.445	2.704	20	30		DFEDHN
CC(C)[C@@]1(CO)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000378128191	337066882	/nfs/dbraw/zinc/06/68/82/337066882.db2.gz	JJGUYELUOWNVAY-QAPCUYQASA-N	0	3	302.418	2.818	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1OC	ZINC000378315043	337069666	/nfs/dbraw/zinc/06/96/66/337069666.db2.gz	OMGPIGNBXPAJRZ-QAPCUYQASA-N	0	3	303.402	2.917	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@H](C)C1	ZINC000170901467	337085317	/nfs/dbraw/zinc/08/53/17/337085317.db2.gz	JTLKYRCFTSLFSR-ZBFHGGJFSA-N	0	3	307.459	2.592	20	30		DFEDHN
Cc1nsc(N2CCCN(CCCC(C)(C)C#N)CC2)n1	ZINC000174879208	337145177	/nfs/dbraw/zinc/14/51/77/337145177.db2.gz	SOVZYHMIJKGPMG-UHFFFAOYSA-N	0	3	307.467	2.689	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000177517419	337156535	/nfs/dbraw/zinc/15/65/35/337156535.db2.gz	QWTDESWCDFDHID-HRCADAONSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(CCOCC)CCC2)CC1	ZINC000178775092	337165035	/nfs/dbraw/zinc/16/50/35/337165035.db2.gz	ZXXKGFIXZHDPIP-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C#CCCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000179978242	337172992	/nfs/dbraw/zinc/17/29/92/337172992.db2.gz	QQZYSTUUBCBRMY-IAGOWNOFSA-N	0	3	320.477	2.528	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000181302023	337181003	/nfs/dbraw/zinc/18/10/03/337181003.db2.gz	SXYVQUCVCATGSF-OAHLLOKOSA-N	0	3	321.490	2.725	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN[C@@H](C)c1cccnc1	ZINC000181633248	337183483	/nfs/dbraw/zinc/18/34/83/337183483.db2.gz	LZANRLLEWQTWLM-MAUKXSAKSA-N	0	3	312.413	2.901	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)C[C@H]2C(C)C)cc(OC)c1O	ZINC000184738530	337199150	/nfs/dbraw/zinc/19/91/50/337199150.db2.gz	PQFPEZVAKWWBAZ-KRWDZBQOSA-N	0	3	318.461	2.901	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)C[C@@H]2C(C)C)cc(OC)c1O	ZINC000184738546	337199201	/nfs/dbraw/zinc/19/92/01/337199201.db2.gz	PQFPEZVAKWWBAZ-QGZVFWFLSA-N	0	3	318.461	2.901	20	30		DFEDHN
C[C@@H](NCC(=O)NCC#N)c1ccc(Cl)c2ccccc21	ZINC000185384836	337204656	/nfs/dbraw/zinc/20/46/56/337204656.db2.gz	DSPWFERTJGQIRB-LLVKDONJSA-N	0	3	301.777	2.784	20	30		DFEDHN
C#CCC(C)(C)C(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000185537451	337248946	/nfs/dbraw/zinc/24/89/46/337248946.db2.gz	YVMVKQJEPFJYMS-UHFFFAOYSA-N	0	3	322.518	2.904	20	30		DFEDHN
CN1CCN(Cc2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)CC1	ZINC000185729018	337250881	/nfs/dbraw/zinc/25/08/81/337250881.db2.gz	HOQFMXFHIFDIBK-AEFFLSMTSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)noc1CC)C(C)C	ZINC000186248756	337254966	/nfs/dbraw/zinc/25/49/66/337254966.db2.gz	NJGDBLSTOVCCPZ-HNNXBMFYSA-N	0	3	319.449	2.974	20	30		DFEDHN
C[C@H](CC#N)Sc1ccccc1NC[C@H](O)CN(C)C1CC1	ZINC000583318182	337314771	/nfs/dbraw/zinc/31/47/71/337314771.db2.gz	WOXYLUNIKREORV-HIFRSBDPSA-N	0	3	319.474	2.948	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000106790526	337387233	/nfs/dbraw/zinc/38/72/33/337387233.db2.gz	AURGUUVUOOJTDS-HNNXBMFYSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(NC)ccc2Cl)CC1	ZINC000425171783	337432699	/nfs/dbraw/zinc/43/26/99/337432699.db2.gz	WOZAAKQUCGODHD-UHFFFAOYSA-N	0	3	307.825	2.762	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@@H](C)N2CCC(C)CC2)s1	ZINC000136222841	337453960	/nfs/dbraw/zinc/45/39/60/337453960.db2.gz	IPLGNGQIVJYAQV-CYBMUJFWSA-N	0	3	322.478	2.591	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1	ZINC000248884315	337568191	/nfs/dbraw/zinc/56/81/91/337568191.db2.gz	LPEYOKIQMRWYKH-OIISXLGYSA-N	0	3	315.392	2.599	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(CC)CC	ZINC000249452714	337570352	/nfs/dbraw/zinc/57/03/52/337570352.db2.gz	OTZJRXZTNWVFBF-BFYDXBDKSA-N	0	3	323.481	2.614	20	30		DFEDHN
N#CCSc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1	ZINC000079540432	337623605	/nfs/dbraw/zinc/62/36/05/337623605.db2.gz	ZNSQIVFIXRCMHW-HNNXBMFYSA-N	0	3	315.442	2.613	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(C(=O)N(C)C)CC1	ZINC000162600682	337645078	/nfs/dbraw/zinc/64/50/78/337645078.db2.gz	AZPNKMJHGUZMSD-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cncc(C)c1)C(C)C	ZINC000080250147	337665878	/nfs/dbraw/zinc/66/58/78/337665878.db2.gz	AQATUFAUYUQROX-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2nccs2)cc1	ZINC000424066425	337731022	/nfs/dbraw/zinc/73/10/22/337731022.db2.gz	NGXBYUIOTHEJPJ-CYBMUJFWSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1	ZINC000424116058	337741607	/nfs/dbraw/zinc/74/16/07/337741607.db2.gz	WRKNMHMRRPXMJE-AWEZNQCLSA-N	0	3	305.809	2.509	20	30		DFEDHN
CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424123710	337748438	/nfs/dbraw/zinc/74/84/38/337748438.db2.gz	MZRNOXWSJQDMSO-GJZGRUSLSA-N	0	3	309.360	2.799	20	30		DFEDHN
CC(C)(C)c1cccc(OCCNC(=O)[C@@H](N)CCCC#N)c1	ZINC000424135019	337753519	/nfs/dbraw/zinc/75/35/19/337753519.db2.gz	YTUQFMFXIPPLCZ-INIZCTEOSA-N	0	3	317.433	2.500	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ncc(-c2ccccc2)o1	ZINC000424135062	337754310	/nfs/dbraw/zinc/75/43/10/337754310.db2.gz	YXIUANDBWFZATD-OCCSQVGLSA-N	0	3	312.373	2.540	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2cnn(C)c2)n1	ZINC000527703336	337757738	/nfs/dbraw/zinc/75/77/38/337757738.db2.gz	NPPYUVCBRQZSLD-IUODEOHRSA-N	0	3	318.446	2.614	20	30		DFEDHN
CC(C)(C)c1ccccc1OCCNC(=O)[C@H](N)CCCC#N	ZINC000424143280	337767517	/nfs/dbraw/zinc/76/75/17/337767517.db2.gz	QPEZHMFAAWFGTA-OAHLLOKOSA-N	0	3	317.433	2.500	20	30		DFEDHN
CC1(C)CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)c2ccccc21	ZINC000424165820	337789582	/nfs/dbraw/zinc/78/95/82/337789582.db2.gz	FJJVPPDSYPADGM-YOEHRIQHSA-N	0	3	313.445	2.979	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1nc2ccc(OC)cc2s1	ZINC000424178905	337799386	/nfs/dbraw/zinc/79/93/86/337799386.db2.gz	XDYMULAIHAEOAR-FZMZJTMJSA-N	0	3	304.415	2.986	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)CCc2ccc(OC)cc2)nn1	ZINC000424299504	337817333	/nfs/dbraw/zinc/81/73/33/337817333.db2.gz	VKYUYDYZZCUIHX-AWEZNQCLSA-N	0	3	300.406	2.584	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC2(CC1)CCS(=O)(=O)CC2	ZINC000428701102	338058770	/nfs/dbraw/zinc/05/87/70/338058770.db2.gz	PZCAEVZXMZUYOE-UHFFFAOYSA-N	0	3	312.479	2.607	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@H](C)c1ccccc1	ZINC000429714804	338087925	/nfs/dbraw/zinc/08/79/25/338087925.db2.gz	HESCRESCJSSOGD-IAGOWNOFSA-N	0	3	317.477	2.692	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Cl)cc1	ZINC000429713830	338088097	/nfs/dbraw/zinc/08/80/97/338088097.db2.gz	WERAXKVJAVPVTE-UHFFFAOYSA-N	0	3	309.841	2.718	20	30		DFEDHN
C=CCN(C(=O)CNCC1CC1)c1nc2c(s1)CCCC2	ZINC000429759221	338089137	/nfs/dbraw/zinc/08/91/37/338089137.db2.gz	OZVNPKKYIDBPPN-UHFFFAOYSA-N	0	3	305.447	2.541	20	30		DFEDHN
C=C(C)COCCNCc1ccnn1-c1ccccc1OC	ZINC000430047589	338094413	/nfs/dbraw/zinc/09/44/13/338094413.db2.gz	SYRUHRQNYKANMB-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
CCN(CCC#N)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000432418019	338155754	/nfs/dbraw/zinc/15/57/54/338155754.db2.gz	XZVBJCSTYRAYSN-VXGBXAGGSA-N	0	3	319.371	2.657	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1	ZINC000433018511	338176532	/nfs/dbraw/zinc/17/65/32/338176532.db2.gz	ICBANXKHFSBBSH-MJGOQNOKSA-N	0	3	324.428	2.820	20	30		DFEDHN
N#CCCC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1	ZINC000433022281	338176752	/nfs/dbraw/zinc/17/67/52/338176752.db2.gz	JOBQDWSPBTXFJP-MRXNPFEDSA-N	0	3	310.401	2.574	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000433300707	338190339	/nfs/dbraw/zinc/19/03/39/338190339.db2.gz	DXTFWQKOPIMPCF-HNNXBMFYSA-N	0	3	323.352	2.984	20	30		DFEDHN
CN(CCc1ccncc1)C(=O)C(C#N)CCc1ccccc1	ZINC000433306202	338190770	/nfs/dbraw/zinc/19/07/70/338190770.db2.gz	RTOZCGDTLNHVHB-SFHVURJKSA-N	0	3	307.397	2.855	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC(=O)Nc1ccccc1	ZINC000433314587	338191840	/nfs/dbraw/zinc/19/18/40/338191840.db2.gz	VLZHKGHJXKBZON-MRXNPFEDSA-N	0	3	321.380	2.514	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CCO)c1ccccc1	ZINC000433380858	338194323	/nfs/dbraw/zinc/19/43/23/338194323.db2.gz	FZIBLCAWAGQRJW-RBUKOAKNSA-N	0	3	322.408	2.999	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cccc(CO)c1	ZINC000433378849	338194364	/nfs/dbraw/zinc/19/43/64/338194364.db2.gz	RMTOWGVEWURUBT-GOSISDBHSA-N	0	3	308.381	2.568	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1	ZINC000435930421	338253182	/nfs/dbraw/zinc/25/31/82/338253182.db2.gz	XJNHEGDJYFIHQS-OAHLLOKOSA-N	0	3	318.380	2.952	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C	ZINC000436724611	338284343	/nfs/dbraw/zinc/28/43/43/338284343.db2.gz	ORSVVUKEQMEPBK-NVXWUHKLSA-N	0	3	316.445	2.877	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000448604408	338346252	/nfs/dbraw/zinc/34/62/52/338346252.db2.gz	HYHYTYITJZLIFV-KURKYZTESA-N	0	3	314.429	2.531	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000439625966	338374938	/nfs/dbraw/zinc/37/49/38/338374938.db2.gz	PATBQIKZEBSXMU-CAOSSQGBSA-N	0	3	308.466	2.593	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCCC2	ZINC000439670860	338375660	/nfs/dbraw/zinc/37/56/60/338375660.db2.gz	IOUPENXMCPCHSK-YESZJQIVSA-N	0	3	320.477	2.903	20	30		DFEDHN
C=CCC[C@H](O)CNC1(c2cccc(OC)c2F)CCOCC1	ZINC000447363384	338550589	/nfs/dbraw/zinc/55/05/89/338550589.db2.gz	KHOGJSVHDLJOJO-AWEZNQCLSA-N	0	3	323.408	2.757	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCC[C@H](N3CCCC3)C2)CC12CCCC2	ZINC000448932603	338580222	/nfs/dbraw/zinc/58/02/22/338580222.db2.gz	KGTOJISDQVNCDM-MAUKXSAKSA-N	0	3	301.434	2.547	20	30		DFEDHN
CC[C@@H](NCc1cccc(OCCCC#N)c1)[C@H](O)C(F)F	ZINC000449425131	338623307	/nfs/dbraw/zinc/62/33/07/338623307.db2.gz	RDUAXVGYRDGGPF-CABCVRRESA-N	0	3	312.360	2.863	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449520449	338634017	/nfs/dbraw/zinc/63/40/17/338634017.db2.gz	PODGBKURMFGMFE-PEYYIBSZSA-N	0	3	304.390	2.648	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(Br)ccc1OC	ZINC000449520133	338634022	/nfs/dbraw/zinc/63/40/22/338634022.db2.gz	OHFSBCYRQVOXDD-OLZOCXBDSA-N	0	3	312.207	2.891	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000451605307	338740197	/nfs/dbraw/zinc/74/01/97/338740197.db2.gz	JOORVOHWVVFQDA-CVEARBPZSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=C(C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000454130043	338853760	/nfs/dbraw/zinc/85/37/60/338853760.db2.gz	ARECJYSIJNRTES-UHFFFAOYSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1[C@H](C)CCC[C@H]1C	ZINC000457550179	338968953	/nfs/dbraw/zinc/96/89/53/338968953.db2.gz	MLSLYKDNNZZGND-QBPKDAKJSA-N	0	3	308.466	2.737	20	30		DFEDHN
CN1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccccc1	ZINC000458565997	339000993	/nfs/dbraw/zinc/00/09/93/339000993.db2.gz	BTWYQFNBUHADTM-HOTGVXAUSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC#CCCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000458648071	339002551	/nfs/dbraw/zinc/00/25/51/339002551.db2.gz	GRRZWTGGFIVNMV-KRWDZBQOSA-N	0	3	313.445	2.563	20	30		DFEDHN
CC#CCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000458963992	339009685	/nfs/dbraw/zinc/00/96/85/339009685.db2.gz	BZRPZXYREAPPJO-UHFFFAOYSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCC)CCN1CCCCC1	ZINC000459040554	339011899	/nfs/dbraw/zinc/01/18/99/339011899.db2.gz	KOZLRSGTSVLTLL-SJORKVTESA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CC[C@H](CO)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1	ZINC000459483283	339032018	/nfs/dbraw/zinc/03/20/18/339032018.db2.gz	MQBKPLAUFVLKMO-XLNGHYISSA-N	0	3	307.459	2.851	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C(F)(F)F)C(C)C	ZINC000463821264	339126531	/nfs/dbraw/zinc/12/65/31/339126531.db2.gz	XSKTZHHVUCDOQZ-QWHCGFSZSA-N	0	3	306.372	3.000	20	30		DFEDHN
C=C(C)CN1CCC(C(=O)NCc2ccc(OC)cc2)CC1	ZINC000472330769	339369940	/nfs/dbraw/zinc/36/99/40/339369940.db2.gz	WCQMVAJLTRSELS-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000487982150	339767411	/nfs/dbraw/zinc/76/74/11/339767411.db2.gz	FFHIUEZUHDMDPN-VNQPRFMTSA-N	0	3	302.418	2.513	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(CC(C)C)cc2)CC1	ZINC000491048326	339847004	/nfs/dbraw/zinc/84/70/04/339847004.db2.gz	XTEWFOIJTAFKMZ-UHFFFAOYSA-N	0	3	312.457	2.847	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(Cl)cc2C)CC1	ZINC000491103509	339849110	/nfs/dbraw/zinc/84/91/10/339849110.db2.gz	PGPKDAUQKVXJAB-UHFFFAOYSA-N	0	3	304.821	2.610	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000491620351	339868801	/nfs/dbraw/zinc/86/88/01/339868801.db2.gz	GEAHBFLRVHCWGE-UXLLHSPISA-N	0	3	301.434	2.649	20	30		DFEDHN
C=CCOCCN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000496414446	340004959	/nfs/dbraw/zinc/00/49/59/340004959.db2.gz	HRZVQYSJLNIHIY-GOSISDBHSA-N	0	3	324.465	2.912	20	30		DFEDHN
C=CCN1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1	ZINC000496640778	340009506	/nfs/dbraw/zinc/00/95/06/340009506.db2.gz	DCHJAJPYSPNXIC-HZPDHXFCSA-N	0	3	324.465	2.957	20	30		DFEDHN
COC(=O)[C@]1(C)CN(CC#Cc2cccc(Cl)c2)C[C@H]1C	ZINC000503242270	340123751	/nfs/dbraw/zinc/12/37/51/340123751.db2.gz	OPKVGRTUMMSXOV-CXAGYDPISA-N	0	3	305.805	2.823	20	30		DFEDHN
C=C(CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1	ZINC000512679117	340372744	/nfs/dbraw/zinc/37/27/44/340372744.db2.gz	WGHIMSFCWWKZQH-UHFFFAOYSA-N	0	3	313.445	2.970	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000177502686	340441115	/nfs/dbraw/zinc/44/11/15/340441115.db2.gz	HKQIWCLCTREIQJ-OAHLLOKOSA-N	0	3	312.454	2.645	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCC#Cc2ccc(F)cc2)CC1	ZINC000186400708	340512288	/nfs/dbraw/zinc/51/22/88/340512288.db2.gz	PVVAXOUHVORCJE-AWEZNQCLSA-N	0	3	318.392	2.634	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](CC)C1)C(C)C	ZINC000193859979	340584803	/nfs/dbraw/zinc/58/48/03/340584803.db2.gz	PMJOXKRRWGFMIX-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](F)C1)C(C)C	ZINC000572528969	340676167	/nfs/dbraw/zinc/67/61/67/340676167.db2.gz	DAVQUVWMSACRFY-HZPDHXFCSA-N	0	3	311.445	2.829	20	30		DFEDHN
COC[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(C)C	ZINC000541596148	340976818	/nfs/dbraw/zinc/97/68/18/340976818.db2.gz	IZWAFSZFERQKCJ-BNQMIIOLSA-N	0	3	323.481	2.566	20	30		DFEDHN
C[C@H](C#N)CN[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O	ZINC000546035329	341152187	/nfs/dbraw/zinc/15/21/87/341152187.db2.gz	USMGQQLGMFODJI-KGLIPLIRSA-N	0	3	313.401	2.591	20	30		DFEDHN
CN(CCCSCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005709	341159784	/nfs/dbraw/zinc/15/97/84/341159784.db2.gz	XPSQBWFUXNSVNR-CYBMUJFWSA-N	0	3	313.467	2.574	20	30		DFEDHN
N#CC(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccncn1	ZINC000546860923	341183876	/nfs/dbraw/zinc/18/38/76/341183876.db2.gz	VSNYUUZWBJVPRU-HOTGVXAUSA-N	0	3	307.353	2.861	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2)C(C)(C)C1	ZINC000134270801	341211705	/nfs/dbraw/zinc/21/17/05/341211705.db2.gz	RHKWEPCMUWQBOJ-KRWDZBQOSA-N	0	3	313.445	2.874	20	30		DFEDHN
C=CCCCN(C)CC(=O)NC(=O)Nc1cccc(C)c1C	ZINC000076734598	341213191	/nfs/dbraw/zinc/21/31/91/341213191.db2.gz	YQFLKGCRQCUVAP-UHFFFAOYSA-N	0	3	303.406	2.850	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCc3cccc(O)c32)CC1	ZINC000550381466	341316098	/nfs/dbraw/zinc/31/60/98/341316098.db2.gz	IMUOPCQMGGCENP-INIZCTEOSA-N	0	3	314.429	2.579	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1	ZINC000246026885	341322279	/nfs/dbraw/zinc/32/22/79/341322279.db2.gz	VOZUFZSXBZADFR-MPGHIAIKSA-N	0	3	301.434	2.823	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000246795266	341357081	/nfs/dbraw/zinc/35/70/81/341357081.db2.gz	PFLNKVJRIWZKEZ-IEBWSBKVSA-N	0	3	313.445	2.748	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](OC)C1)C(C)C	ZINC000248944287	341390469	/nfs/dbraw/zinc/39/04/69/341390469.db2.gz	BZHVNWMATNPNRB-BRWVUGGUSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@H](C)CC1	ZINC000249109062	341394105	/nfs/dbraw/zinc/39/41/05/341394105.db2.gz	VSEPBFAWXCMENL-NVXWUHKLSA-N	0	3	321.486	2.982	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C	ZINC000249515643	341398581	/nfs/dbraw/zinc/39/85/81/341398581.db2.gz	CPVIDBDGMIVIRT-BRWVUGGUSA-N	0	3	323.481	2.504	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(CC#N)cc1)C2	ZINC000566220276	341551209	/nfs/dbraw/zinc/55/12/09/341551209.db2.gz	JEPAQWXOUMXESV-KRWDZBQOSA-N	0	3	308.381	2.855	20	30		DFEDHN
Cc1nn(C)c2ncc(CNCc3ccc(CC#N)cc3)cc12	ZINC000566737422	341566732	/nfs/dbraw/zinc/56/67/32/341566732.db2.gz	IHVPODNMOVUKHY-UHFFFAOYSA-N	0	3	305.385	2.633	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1	ZINC000577769950	341936038	/nfs/dbraw/zinc/93/60/38/341936038.db2.gz	BFKGLLWMMXCWET-KLZNWCGWSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CNCC=C(C)C)c(OC)c1	ZINC000578007242	341969129	/nfs/dbraw/zinc/96/91/29/341969129.db2.gz	HGQKCCVHJWPSCB-INIZCTEOSA-N	0	3	305.418	2.719	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)N(C)CCC#N	ZINC000070788574	500642082	/nfs/dbraw/zinc/64/20/82/500642082.db2.gz	ARFFGEALZRXHMF-LSDHHAIUSA-N	0	3	313.445	2.977	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C1CCCC1	ZINC000331403859	533989995	/nfs/dbraw/zinc/98/99/95/533989995.db2.gz	NSZVENZIUWPVPG-SMDDNHRTSA-N	0	3	303.431	2.893	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1cnccc1C	ZINC000567697487	517340832	/nfs/dbraw/zinc/34/08/32/517340832.db2.gz	ZRPLMKIVACREGF-SFHVURJKSA-N	0	3	312.413	2.648	20	30		DFEDHN
COCC[C@@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C	ZINC000338359894	521856074	/nfs/dbraw/zinc/85/60/74/521856074.db2.gz	OUIQOKKSKMLVFL-GFCCVEGCSA-N	0	3	309.435	2.599	20	30		DFEDHN
COc1ccc(CN2CCCN(c3cnccc3C#N)CC2)cc1	ZINC000364849078	524027917	/nfs/dbraw/zinc/02/79/17/524027917.db2.gz	FCPJBUXDUGAGSU-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
C[C@H](SCCN(C)C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000157687722	525977095	/nfs/dbraw/zinc/97/70/95/525977095.db2.gz	GDZVIZOPJDNLSG-JTQLQIEISA-N	0	3	323.487	2.730	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCCO[C@@H]3CCC[C@@H]32)cc1	ZINC000369458776	526673562	/nfs/dbraw/zinc/67/35/62/526673562.db2.gz	RJWRGPXWYAFXPJ-ZWKOTPCHSA-N	0	3	300.402	2.971	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCCC3)C2)c1	ZINC000364921370	526689309	/nfs/dbraw/zinc/68/93/09/526689309.db2.gz	CTJMOZYSUJHUJS-OAHLLOKOSA-N	0	3	314.389	2.921	20	30		DFEDHN
N#Cc1cccc(CN2CCCN(c3cncc(F)c3)CC2)c1	ZINC000368451909	526704382	/nfs/dbraw/zinc/70/43/82/526704382.db2.gz	VZOYRFKLGHDWOQ-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
Cn1cc(-c2ccccc2CNCc2cc(C#N)n(C)c2)cn1	ZINC000365144354	527136719	/nfs/dbraw/zinc/13/67/19/527136719.db2.gz	YORQKVYKBQIMAD-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
CC(C)(NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000299631186	527292248	/nfs/dbraw/zinc/29/22/48/527292248.db2.gz	LDBCUXUCOSKZOG-QGZVFWFLSA-N	0	3	310.397	2.823	20	30		DFEDHN
CC(C)[C@@]1(CO)CCCN(CCOc2cccc(C#N)c2)C1	ZINC000292936103	528894927	/nfs/dbraw/zinc/89/49/27/528894927.db2.gz	CXRKURDZSIUDQF-SFHVURJKSA-N	0	3	302.418	2.668	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](Nc2ncc(Br)cc2C#N)C1	ZINC000297371260	529091452	/nfs/dbraw/zinc/09/14/52/529091452.db2.gz	CUAARLMMGXNIDI-ZWNOBZJWSA-N	0	3	323.238	2.856	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1CC(F)(F)F	ZINC000680617572	545519954	/nfs/dbraw/zinc/51/99/54/545519954.db2.gz	VTQHMJMNSCJZOF-GFCCVEGCSA-N	0	3	322.290	2.947	20	30		DFEDHN
C=CCOCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1	ZINC000681054098	545589363	/nfs/dbraw/zinc/58/93/63/545589363.db2.gz	HOBDVRWRMXTGBA-IRXDYDNUSA-N	0	3	324.852	2.504	20	30		DFEDHN
C=C(C)[C@@H](NCCCCS(C)(=O)=O)c1ccc(F)c(F)c1	ZINC000681464580	545643802	/nfs/dbraw/zinc/64/38/02/545643802.db2.gz	FAEYLIIWTIKARQ-OAHLLOKOSA-N	0	3	317.401	2.996	20	30		DFEDHN
C=CC[C@H](C(=O)NCCN1CCC(OC)CC1)c1ccccc1	ZINC000681735275	545709857	/nfs/dbraw/zinc/70/98/57/545709857.db2.gz	XQUZHFUAYTYVBK-SFHVURJKSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819739707	606498412	/nfs/dbraw/zinc/49/84/12/606498412.db2.gz	DPKKHUXXQQIYHG-UHFFFAOYSA-N	0	3	323.347	2.866	20	30		DFEDHN
C=CCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F	ZINC000819739707	606498414	/nfs/dbraw/zinc/49/84/14/606498414.db2.gz	DPKKHUXXQQIYHG-UHFFFAOYSA-N	0	3	323.347	2.866	20	30		DFEDHN
COCCSCCCN(CCOC)Cc1ccc(C#N)cc1	ZINC000278506950	214198673	/nfs/dbraw/zinc/19/86/73/214198673.db2.gz	MGMJVHBNQPNCJV-UHFFFAOYSA-N	0	3	322.474	2.776	20	30		DFEDHN
CN(C)C[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2O1	ZINC000370503910	282139406	/nfs/dbraw/zinc/13/94/06/282139406.db2.gz	AJJFHMAOLKGLMA-INIZCTEOSA-N	0	3	321.380	2.528	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000278642658	214296542	/nfs/dbraw/zinc/29/65/42/214296542.db2.gz	NZRGGENRNOENCE-AEFFLSMTSA-N	0	3	304.434	2.513	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000079340373	185165828	/nfs/dbraw/zinc/16/58/28/185165828.db2.gz	YFELHNBKDMRULP-OAHLLOKOSA-N	0	3	322.474	2.984	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C(C)(F)F)nc2)CC1	ZINC000448921545	398345800	/nfs/dbraw/zinc/34/58/00/398345800.db2.gz	NPOAFWDFSAGNFR-UHFFFAOYSA-N	0	3	309.360	2.574	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)N(CCN1CCCC1)c1ccccc1	ZINC000081547896	398357330	/nfs/dbraw/zinc/35/73/30/398357330.db2.gz	JXRBZDLZUGZFJW-UHFFFAOYSA-N	0	3	322.412	2.639	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000488802390	398349261	/nfs/dbraw/zinc/34/92/61/398349261.db2.gz	QVUMNRYLBVETJU-IAGOWNOFSA-N	0	3	309.413	2.502	20	30		DFEDHN
CCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCN(C)C1	ZINC000591971211	398365779	/nfs/dbraw/zinc/36/57/79/398365779.db2.gz	FRZZXCITIIQVQI-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)CCc1ccc(C#N)cc1	ZINC000010762095	398379528	/nfs/dbraw/zinc/37/95/28/398379528.db2.gz	IRUGVVMHOMCDDQ-UHFFFAOYSA-N	0	3	321.424	2.869	20	30		DFEDHN
CN1CCc2ncnc(Sc3cccc(F)c3C#N)c2C1	ZINC000596306394	398381613	/nfs/dbraw/zinc/38/16/13/398381613.db2.gz	PTNLXDBSLOVUCJ-UHFFFAOYSA-N	0	3	300.362	2.626	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596332956	398388361	/nfs/dbraw/zinc/38/83/61/398388361.db2.gz	SYQCRAOSKUHVCE-OAGGEKHMSA-N	0	3	306.454	2.632	20	30		DFEDHN
Cc1cccc(C2(NCC(=O)N(CCC#N)CCC#N)CCC2)c1	ZINC000592146050	398391611	/nfs/dbraw/zinc/39/16/11/398391611.db2.gz	LUNVEOJDCODJPY-UHFFFAOYSA-N	0	3	324.428	2.620	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@H]([C@H]2CCCC2(C)C)C1)C1CC1	ZINC000592154277	398393877	/nfs/dbraw/zinc/39/38/77/398393877.db2.gz	NYEXPGSRJCULQV-ZSZQSSIHSA-N	0	3	317.477	2.943	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2OC)[C@@H]1SC	ZINC000592173672	398396389	/nfs/dbraw/zinc/39/63/89/398396389.db2.gz	ZOKAGQQVBHIMER-BMFZPTHFSA-N	0	3	306.431	2.565	20	30		DFEDHN
Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C#N)c1C	ZINC000592180291	398397502	/nfs/dbraw/zinc/39/75/02/398397502.db2.gz	CRDBQFJPCYNUIE-MUYACECFSA-N	0	3	301.390	2.873	20	30		DFEDHN
N#CC1(NC(=O)CN2CCCC[C@@H]2C2CCC2)CCCCC1	ZINC000592198747	398399963	/nfs/dbraw/zinc/39/99/63/398399963.db2.gz	RKOKLVVJDIEJSC-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCN(C)C1	ZINC000592235384	398406151	/nfs/dbraw/zinc/40/61/51/398406151.db2.gz	QQTMTSFOSQBLMW-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCc2ccccc2)CC1	ZINC000592291767	398411353	/nfs/dbraw/zinc/41/13/53/398411353.db2.gz	SSPQEHVXFYQAJZ-UHFFFAOYSA-N	0	3	315.461	2.959	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(CCOC3CCC3)CC2)cc1	ZINC000286694342	219113610	/nfs/dbraw/zinc/11/36/10/219113610.db2.gz	BUCFFOLPHJSJTD-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C#N)c1	ZINC000596464455	398420383	/nfs/dbraw/zinc/42/03/83/398420383.db2.gz	SMYFICRFKXZCON-HOCLYGCPSA-N	0	3	300.406	2.952	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C#N)c1	ZINC000596476502	398423558	/nfs/dbraw/zinc/42/35/58/398423558.db2.gz	RVRGCGMLAOAKGX-AWEZNQCLSA-N	0	3	300.406	2.800	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(Cl)c2N(C)C)CC1	ZINC000067202349	398423052	/nfs/dbraw/zinc/42/30/52/398423052.db2.gz	SUXUIZMPIGEMNV-UHFFFAOYSA-N	0	3	319.836	2.690	20	30		DFEDHN
CN(CCNc1nc2ccccn2c1C#N)Cc1ccccc1	ZINC000302115085	529918169	/nfs/dbraw/zinc/91/81/69/529918169.db2.gz	VTATXJOGMMGYAA-UHFFFAOYSA-N	0	3	305.385	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCCc2ccccc2)CC1	ZINC000592479730	398431811	/nfs/dbraw/zinc/43/18/11/398431811.db2.gz	HUEBMBUUWWTGAS-UHFFFAOYSA-N	0	3	315.461	2.959	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)C2CC2)cc1	ZINC000025259137	398438424	/nfs/dbraw/zinc/43/84/24/398438424.db2.gz	OMKHTNQAPGNWCJ-LJQANCHMSA-N	0	3	322.408	2.963	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1cccc(F)c1	ZINC000592506420	398437032	/nfs/dbraw/zinc/43/70/32/398437032.db2.gz	WFFYEYPGQAULBV-UHFFFAOYSA-N	0	3	323.375	2.807	20	30		DFEDHN
Cc1ccc2c(c1)[C@@H](NCc1cnc3c(C#N)cnn3c1)[C@H](C)C2	ZINC000592505407	398437139	/nfs/dbraw/zinc/43/71/39/398437139.db2.gz	SYAPOZCNZVVTKA-ACJLOTCBSA-N	0	3	317.396	2.933	20	30		DFEDHN
COCC[C@H](C)ON=C(N)c1cccc(CN2CCCCC2)c1	ZINC000088519739	398437457	/nfs/dbraw/zinc/43/74/57/398437457.db2.gz	OMDGZDOMBHVYBD-HNNXBMFYSA-N	0	3	319.449	2.734	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000585765545	398446169	/nfs/dbraw/zinc/44/61/69/398446169.db2.gz	PAZOMFPQXQYACU-KBAYOESNSA-N	0	3	316.445	2.683	20	30		DFEDHN
C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)[C@@H](c1ccccc1)N(C)C	ZINC000596597678	398457330	/nfs/dbraw/zinc/45/73/30/398457330.db2.gz	XCMQEHDQOWHTMC-ZVZYQTTQSA-N	0	3	314.433	2.623	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)n1	ZINC000592661533	398463554	/nfs/dbraw/zinc/46/35/54/398463554.db2.gz	BMKTTZIVWLNOIA-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000596657931	398473406	/nfs/dbraw/zinc/47/34/06/398473406.db2.gz	DLLHPYWBJYCFKU-OAHLLOKOSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C#N)c1	ZINC000181729258	199344258	/nfs/dbraw/zinc/34/42/58/199344258.db2.gz	NVIRFZKNKQIVLM-BEFAXECRSA-N	0	3	321.424	2.908	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1ccc(CCNC(C)=O)cc1	ZINC000090450815	398487179	/nfs/dbraw/zinc/48/71/79/398487179.db2.gz	HVDZVSBLRZEQDW-OAHLLOKOSA-N	0	3	304.434	2.609	20	30		DFEDHN
CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCN(C)C1	ZINC000592828149	398491308	/nfs/dbraw/zinc/49/13/08/398491308.db2.gz	DHNKTIPIZRQIAJ-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
CCCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(C)C1	ZINC000592828148	398491463	/nfs/dbraw/zinc/49/14/63/398491463.db2.gz	DHNKTIPIZRQIAJ-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
CC[C@H](C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592870523	398502141	/nfs/dbraw/zinc/50/21/41/398502141.db2.gz	HPQVJXIUFMNLQK-UAGQMJEPSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000030532683	398503176	/nfs/dbraw/zinc/50/31/76/398503176.db2.gz	MTXPCQDMQRCQHD-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCCC[C@H]1C	ZINC000596799641	398503747	/nfs/dbraw/zinc/50/37/47/398503747.db2.gz	ZCJHXZHVWWOSEF-NEPJUHHUSA-N	0	3	321.371	2.829	20	30		DFEDHN
COC(=O)COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000181967873	199368866	/nfs/dbraw/zinc/36/88/66/199368866.db2.gz	VOPMZQSGFUGAFT-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
COc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1C#N	ZINC000181975171	199369413	/nfs/dbraw/zinc/36/94/13/199369413.db2.gz	MQPXXVOXZFMWOK-UHFFFAOYSA-N	0	3	310.397	2.870	20	30		DFEDHN
Cc1cc(NC(=O)[C@@]2(C#N)CCNC2)ccc1Oc1cccnc1	ZINC000592955671	398511402	/nfs/dbraw/zinc/51/14/02/398511402.db2.gz	BXYDFCJRGQKKKU-GOSISDBHSA-N	0	3	322.368	2.624	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCNC1	ZINC000592964427	398511898	/nfs/dbraw/zinc/51/18/98/398511898.db2.gz	KBHRMCGTWWRQFC-SFHVURJKSA-N	0	3	312.417	2.509	20	30		DFEDHN
C[C@@H]1CN(C(=O)NCC2(C#N)CCCCC2)CCN(C2CC2)C1	ZINC000596858209	398515467	/nfs/dbraw/zinc/51/54/67/398515467.db2.gz	YHACTGOTYVDDFY-HNNXBMFYSA-N	0	3	318.465	2.586	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(C#N)CCCCC1	ZINC000596861984	398517179	/nfs/dbraw/zinc/51/71/79/398517179.db2.gz	UCOKYUKHJQSNQP-CVEARBPZSA-N	0	3	318.465	2.729	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1(C#N)CCCCC1	ZINC000596867864	398518813	/nfs/dbraw/zinc/51/88/13/398518813.db2.gz	GWXZSKGNKZLMMJ-HNNXBMFYSA-N	0	3	320.481	2.832	20	30		DFEDHN
Cc1nsc(NC(=O)N[C@@H](C)CN2CCC(C)CC2)c1C#N	ZINC000596903778	398526154	/nfs/dbraw/zinc/52/61/54/398526154.db2.gz	FPJVWLATLDVMCU-NSHDSACASA-N	0	3	321.450	2.565	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000596911274	398527801	/nfs/dbraw/zinc/52/78/01/398527801.db2.gz	OEBMVPDBBCFJEF-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
CC[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000317001892	398533500	/nfs/dbraw/zinc/53/35/00/398533500.db2.gz	NQOSKIQQQJTCKT-ZBFHGGJFSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000091506499	398534317	/nfs/dbraw/zinc/53/43/17/398534317.db2.gz	MWTVMLCCPNFQKO-ZWKOTPCHSA-N	0	3	321.509	2.750	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](O)C1CC1	ZINC000589197995	398537379	/nfs/dbraw/zinc/53/73/79/398537379.db2.gz	KASLCUUIQDFVCO-GOSISDBHSA-N	0	3	324.428	2.666	20	30		DFEDHN
C[C@H]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000318812650	398539646	/nfs/dbraw/zinc/53/96/46/398539646.db2.gz	IWIIBBANHRUHHH-GOEBONIOSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2[C@@H](C)C1	ZINC000593090949	398542377	/nfs/dbraw/zinc/54/23/77/398542377.db2.gz	KYXKJDLDWOPWGJ-GJZGRUSLSA-N	0	3	311.429	2.599	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN(CCC#N)CC1CC1	ZINC000596996308	398543396	/nfs/dbraw/zinc/54/33/96/398543396.db2.gz	RHRJOQQTYZZRBV-JKSUJKDBSA-N	0	3	302.422	2.513	20	30		DFEDHN
CC(=O)N(C)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000596996123	398543517	/nfs/dbraw/zinc/54/35/17/398543517.db2.gz	PUGRRTZDNICDAD-UHFFFAOYSA-N	0	3	311.429	2.684	20	30		DFEDHN
C[C@@H](CC#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000597006640	398545839	/nfs/dbraw/zinc/54/58/39/398545839.db2.gz	UPJYLCKYUCXPPG-KBPBESRZSA-N	0	3	305.447	2.626	20	30		DFEDHN
N#Cc1ccc(CNCC2(CN3CCOCC3)CCCCC2)o1	ZINC000083476696	192371269	/nfs/dbraw/zinc/37/12/69/192371269.db2.gz	PGGKBLVOBGBVLT-UHFFFAOYSA-N	0	3	317.433	2.524	20	30		DFEDHN
CC(C)[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCC1	ZINC000589342396	398547346	/nfs/dbraw/zinc/54/73/46/398547346.db2.gz	PMFRIJWUDNNNRQ-ROUUACIJSA-N	0	3	311.429	2.782	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NC[C@H](O)COc1ccccc1C#N	ZINC000320350926	398547352	/nfs/dbraw/zinc/54/73/52/398547352.db2.gz	FMADPKLBFRWLLN-WBVHZDCISA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)c(F)c1	ZINC000589344867	398547361	/nfs/dbraw/zinc/54/73/61/398547361.db2.gz	UVZHAHHJAWOMPK-LBPRGKRZSA-N	0	3	311.360	2.576	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(C(=O)C3CCCC3)C1)CC2	ZINC000589341839	398547400	/nfs/dbraw/zinc/54/74/00/398547400.db2.gz	ALEDFWFQTDAGHP-HKUYNNGSSA-N	0	3	323.440	2.926	20	30		DFEDHN
Cc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1C#N	ZINC000320350921	398547499	/nfs/dbraw/zinc/54/74/99/398547499.db2.gz	FMADPKLBFRWLLN-DOTOQJQBSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#CC1(c2ccc(CN3CCS[C@@H]4COCC[C@H]43)cc2)CC1	ZINC000597028409	398551011	/nfs/dbraw/zinc/55/10/11/398551011.db2.gz	YDOUWZBRDOYQNL-IAGOWNOFSA-N	0	3	314.454	2.948	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1ccc(CC#N)cc1	ZINC000593139065	398556060	/nfs/dbraw/zinc/55/60/60/398556060.db2.gz	UAADRYHTJDUUNP-UHFFFAOYSA-N	0	3	300.406	2.702	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2nc(C#N)cs2)C1	ZINC000589503471	398556852	/nfs/dbraw/zinc/55/68/52/398556852.db2.gz	RNOILBIMXCTDGB-MRXNPFEDSA-N	0	3	312.442	2.721	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(C#N)n1)N(C)C	ZINC000589518577	398558797	/nfs/dbraw/zinc/55/87/97/398558797.db2.gz	WNTQARKYURGHDW-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@H](CC#N)C(=O)Nc1ccccc1NC1CCN(C)CC1	ZINC000597078672	398562190	/nfs/dbraw/zinc/56/21/90/398562190.db2.gz	QLYMFDPWWQZNQY-CYBMUJFWSA-N	0	3	300.406	2.681	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NCCCN(C)Cc1ccccc1	ZINC000069330985	398564861	/nfs/dbraw/zinc/56/48/61/398564861.db2.gz	USUSJFNCJDNZTD-INIZCTEOSA-N	0	3	304.434	2.606	20	30		DFEDHN
C[C@@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C#N)cc1	ZINC000593183800	398566655	/nfs/dbraw/zinc/56/66/55/398566655.db2.gz	JYRKTCVKLZUSLT-DYVFJYSZSA-N	0	3	307.397	2.985	20	30		DFEDHN
CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1	ZINC000597082474	398563163	/nfs/dbraw/zinc/56/31/63/398563163.db2.gz	KTUADORRMVDTPL-KBPBESRZSA-N	0	3	300.402	2.919	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1nccn1CC(F)(F)F	ZINC000280543034	334968102	/nfs/dbraw/zinc/96/81/02/334968102.db2.gz	DBUNQPMSUDKZTQ-DGCLKSJQSA-N	0	3	303.328	2.516	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000041573979	398569833	/nfs/dbraw/zinc/56/98/33/398569833.db2.gz	JNMROKMGOFVKGP-OAHLLOKOSA-N	0	3	308.341	2.542	20	30		DFEDHN
Cc1noc([C@@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)n1	ZINC000597123843	398570237	/nfs/dbraw/zinc/57/02/37/398570237.db2.gz	DDYSLEFXQIHORY-OAHLLOKOSA-N	0	3	308.385	2.923	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)CCN2CCCCC2)c1	ZINC000593219688	398573547	/nfs/dbraw/zinc/57/35/47/398573547.db2.gz	MHUXMIPZYQCNIL-UHFFFAOYSA-N	0	3	300.406	2.816	20	30		DFEDHN
COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)n(C)c1C	ZINC000589732242	398573276	/nfs/dbraw/zinc/57/32/76/398573276.db2.gz	DNFCDWADDWGNQS-GFCCVEGCSA-N	0	3	311.385	2.843	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@@H]([C@H](O)C(F)(F)F)C3)cc2)CC1	ZINC000597142776	398575278	/nfs/dbraw/zinc/57/52/78/398575278.db2.gz	WUOKKRRHNBPTSH-HIFRSBDPSA-N	0	3	324.346	2.987	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1F	ZINC000597171135	398581340	/nfs/dbraw/zinc/58/13/40/398581340.db2.gz	BMESYZGBRWEDHL-ZDUSSCGKSA-N	0	3	319.355	2.537	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597172421	398581501	/nfs/dbraw/zinc/58/15/01/398581501.db2.gz	FIBDBXLBOMIWNL-RYUDHWBXSA-N	0	3	321.371	2.829	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597178653	398583147	/nfs/dbraw/zinc/58/31/47/398583147.db2.gz	MTOLNBCACOMIOQ-HOTGVXAUSA-N	0	3	319.355	2.535	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c(F)c1	ZINC000589939220	398584290	/nfs/dbraw/zinc/58/42/90/398584290.db2.gz	ZQFJHMBECYLREG-DGCLKSJQSA-N	0	3	302.271	2.633	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN[C@H]2CCCC[C@@H]2C#N)cn1	ZINC000597197771	398588150	/nfs/dbraw/zinc/58/81/50/398588150.db2.gz	YVRFOWQLNCQIIM-YQFWSFKMSA-N	0	3	302.422	2.653	20	30		DFEDHN
CN1CCC[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000590071961	398594542	/nfs/dbraw/zinc/59/45/42/398594542.db2.gz	SQBJHCAFOXTYIM-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)NCC2(C#N)CCCC2)c1	ZINC000593308043	398594990	/nfs/dbraw/zinc/59/49/90/398594990.db2.gz	ZSXKMJQVQFAWIO-UHFFFAOYSA-N	0	3	314.433	2.631	20	30		DFEDHN
Cc1ccc(NC(=O)CC2(C#N)CCOCC2)c(CN(C)C)c1	ZINC000597233517	398598604	/nfs/dbraw/zinc/59/86/04/398598604.db2.gz	JBFXSMRTPQOFOG-UHFFFAOYSA-N	0	3	315.417	2.706	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C(=O)CC2(C#N)CC2)CC1	ZINC000590153725	398601242	/nfs/dbraw/zinc/60/12/42/398601242.db2.gz	ZBKJDSAEYHAGHW-UHFFFAOYSA-N	0	3	311.429	2.723	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)o1	ZINC000590162058	398601998	/nfs/dbraw/zinc/60/19/98/398601998.db2.gz	DFLRRYAKSRLJAC-HRCADAONSA-N	0	3	316.449	2.996	20	30		DFEDHN
C[C@H]1Cc2ccccc2N1C1CCN(CCOCCC#N)CC1	ZINC000590165164	398602343	/nfs/dbraw/zinc/60/23/43/398602343.db2.gz	PDEHLOFIJCDSTP-INIZCTEOSA-N	0	3	313.445	2.832	20	30		DFEDHN
COc1ccc([C@H](CNc2nccnc2C#N)N2CCCC2)cc1	ZINC000072082101	191035221	/nfs/dbraw/zinc/03/52/21/191035221.db2.gz	XWFDGTSDGUTSRP-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000590289793	398610689	/nfs/dbraw/zinc/61/06/89/398610689.db2.gz	SGVXZQIDGAUUIG-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000593397173	398618279	/nfs/dbraw/zinc/61/82/79/398618279.db2.gz	TXGHNOGBKCJLCU-RHSMWYFYSA-N	0	3	317.433	2.744	20	30		DFEDHN
N#Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1	ZINC000043329918	398619077	/nfs/dbraw/zinc/61/90/77/398619077.db2.gz	AZVHQDBVICEBRS-GOSISDBHSA-N	0	3	320.396	2.954	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1OC	ZINC000280740545	334970189	/nfs/dbraw/zinc/97/01/89/334970189.db2.gz	WULQLHLMBMQALF-UGSOOPFHSA-N	0	3	321.417	2.783	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000593440678	398630499	/nfs/dbraw/zinc/63/04/99/398630499.db2.gz	LIDYMYDYHGLVDW-UONOGXRCSA-N	0	3	305.447	2.626	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1ccc(SC)cc1	ZINC000593449938	398632757	/nfs/dbraw/zinc/63/27/57/398632757.db2.gz	HTBMCCHVQVOSSQ-BXUZGUMPSA-N	0	3	320.414	2.679	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C#N)CCCCC2)C1	ZINC000597409283	398636892	/nfs/dbraw/zinc/63/68/92/398636892.db2.gz	CQZVFUCJIUUKOT-HOTGVXAUSA-N	0	3	303.450	2.793	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597462285	398644901	/nfs/dbraw/zinc/64/49/01/398644901.db2.gz	LEBCXIQZBDDAMK-UHFFFAOYSA-N	0	3	319.355	2.537	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](COCCOC)C2)cc1	ZINC000093754108	398643556	/nfs/dbraw/zinc/64/35/56/398643556.db2.gz	BHYVMINAEZHNIV-QGZVFWFLSA-N	0	3	305.418	2.736	20	30		DFEDHN
N#CCCCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000363209546	398644132	/nfs/dbraw/zinc/64/41/32/398644132.db2.gz	QRKHERUHGJPIGD-OAHLLOKOSA-N	0	3	301.438	2.878	20	30		DFEDHN
C=CCOc1ccc(CN(CC(C)(C)O)C2CC2)cc1OC	ZINC000189944602	186252642	/nfs/dbraw/zinc/25/26/42/186252642.db2.gz	YIRMJZFXYJUXAC-UHFFFAOYSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ncccc1F)C(C)C	ZINC000281045308	334971755	/nfs/dbraw/zinc/97/17/55/334971755.db2.gz	XNZFGGPGGSPMJN-QGZVFWFLSA-N	0	3	319.424	2.578	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1	ZINC000073011370	398655257	/nfs/dbraw/zinc/65/52/57/398655257.db2.gz	OETNAPBAFKVZMX-SFHVURJKSA-N	0	3	316.445	2.988	20	30		DFEDHN
COc1cccc2c1OC[C@H](NCc1ccc(C#N)c(F)c1)C2	ZINC000590780079	398673065	/nfs/dbraw/zinc/67/30/65/398673065.db2.gz	NWDMAAIYUSSMDD-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1ncc(-c2ccccc2)n1C	ZINC000590777811	398673129	/nfs/dbraw/zinc/67/31/29/398673129.db2.gz	LHFBIGVXXDOWPE-OAHLLOKOSA-N	0	3	323.444	2.726	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000593729125	398678156	/nfs/dbraw/zinc/67/81/56/398678156.db2.gz	NXECUGCNPIKIDP-DOMZBBRYSA-N	0	3	305.447	2.677	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)CCc2cccs2)CC1	ZINC000173198787	198194111	/nfs/dbraw/zinc/19/41/11/198194111.db2.gz	VOUQYYVZEFSOIL-UHFFFAOYSA-N	0	3	307.463	2.582	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1=O	ZINC000281199963	334977345	/nfs/dbraw/zinc/97/73/45/334977345.db2.gz	CKJVSPXDRRYTQF-HRCADAONSA-N	0	3	320.820	2.547	20	30		DFEDHN
CCN1CCN(C[C@H](C)CNc2cc(Cl)ccc2C#N)CC1	ZINC000277131791	213314771	/nfs/dbraw/zinc/31/47/71/213314771.db2.gz	PLLPNZZNGLJVHP-CQSZACIVSA-N	0	3	320.868	2.897	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000277126704	213312012	/nfs/dbraw/zinc/31/20/12/213312012.db2.gz	IELGNFJYXOUKAW-HOTGVXAUSA-N	0	3	301.390	2.579	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)c2c(C)noc2C)CC1	ZINC000106035217	398695333	/nfs/dbraw/zinc/69/53/33/398695333.db2.gz	YMLDMDSDRAAVPW-GFCCVEGCSA-N	0	3	305.422	2.552	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000073722592	398696478	/nfs/dbraw/zinc/69/64/78/398696478.db2.gz	LILSIXRYUOWRDF-WMLDXEAASA-N	0	3	316.449	2.895	20	30		DFEDHN
COC(=O)COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000174099875	198291425	/nfs/dbraw/zinc/29/14/25/198291425.db2.gz	YQAODROXDBZRPY-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C2(CCC2)CO1	ZINC000593847451	398697088	/nfs/dbraw/zinc/69/70/88/398697088.db2.gz	GQBGTVMOXDKDER-WBVHZDCISA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1	ZINC000593859143	398698340	/nfs/dbraw/zinc/69/83/40/398698340.db2.gz	PUGPRVNSRURCST-YOEHRIQHSA-N	0	3	300.402	2.690	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000593884201	398699651	/nfs/dbraw/zinc/69/96/51/398699651.db2.gz	UYTURGSRRZQYQB-ZWKOTPCHSA-N	0	3	311.429	2.606	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000046373222	398705018	/nfs/dbraw/zinc/70/50/18/398705018.db2.gz	WEZGUTCXCNFBOE-GJZGRUSLSA-N	0	3	314.433	2.793	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1F	ZINC000593917750	398703101	/nfs/dbraw/zinc/70/31/01/398703101.db2.gz	JPCWKGDVFOWATD-DOTOQJQBSA-N	0	3	317.408	2.770	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000590944257	398705655	/nfs/dbraw/zinc/70/56/55/398705655.db2.gz	QXGILSFHERYEFE-LUKYLMHMSA-N	0	3	318.465	2.727	20	30		DFEDHN
COC1CC(CCNC(=O)C(C#N)CCc2ccccc2)C1	ZINC000597861425	398705712	/nfs/dbraw/zinc/70/57/12/398705712.db2.gz	LVRDXNLLDQWCQY-CGZBRXJRSA-N	0	3	300.402	2.690	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000597861443	398705729	/nfs/dbraw/zinc/70/57/29/398705729.db2.gz	UJXTZNLBPHHXDG-LBPRGKRZSA-N	0	3	305.809	2.814	20	30		DFEDHN
N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)nc1	ZINC000593946732	398706181	/nfs/dbraw/zinc/70/61/81/398706181.db2.gz	JPQGTGNJDMSMFT-CALCHBBNSA-N	0	3	304.397	2.521	20	30		DFEDHN
C=CCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000174616157	198359899	/nfs/dbraw/zinc/35/98/99/198359899.db2.gz	CMNFODCFLPGCFJ-KRWDZBQOSA-N	0	3	301.434	2.726	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(F)cc1	ZINC000046529333	398711920	/nfs/dbraw/zinc/71/19/20/398711920.db2.gz	MBMFNJKKWGGAMR-QGZVFWFLSA-N	0	3	314.360	2.569	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1Cl	ZINC000108497389	398712166	/nfs/dbraw/zinc/71/21/66/398712166.db2.gz	HDDCLSZSBQBYFB-CQSZACIVSA-N	0	3	318.808	2.817	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1Cl	ZINC000108497392	398712741	/nfs/dbraw/zinc/71/27/41/398712741.db2.gz	HDDCLSZSBQBYFB-AWEZNQCLSA-N	0	3	318.808	2.817	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1	ZINC000597899853	398715920	/nfs/dbraw/zinc/71/59/20/398715920.db2.gz	QZLKNPQIFRCAEV-IUODEOHRSA-N	0	3	314.385	2.614	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](N2CCCC2=O)CC1	ZINC000591053778	398719340	/nfs/dbraw/zinc/71/93/40/398719340.db2.gz	WJTMJSGNTWHVMS-GOSISDBHSA-N	0	3	311.429	2.844	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1	ZINC000591054946	398719377	/nfs/dbraw/zinc/71/93/77/398719377.db2.gz	WYLCUAMWZNRBPC-MRXNPFEDSA-N	0	3	302.418	2.808	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](C4CCC4)C3)C2=O)cc1	ZINC000591062027	398720623	/nfs/dbraw/zinc/72/06/23/398720623.db2.gz	RXFKCPZMTWLRKK-SJLPKXTDSA-N	0	3	309.413	2.786	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000597920897	398721436	/nfs/dbraw/zinc/72/14/36/398721436.db2.gz	CHNBDHIHFMEACG-DLBZAZTESA-N	0	3	313.445	2.748	20	30		DFEDHN
Cc1cnc(OC2CCN(CCCC(C)(C)C#N)CC2)nc1	ZINC000594021145	398723983	/nfs/dbraw/zinc/72/39/83/398723983.db2.gz	NZQCFZPXGVPLBU-UHFFFAOYSA-N	0	3	302.422	2.958	20	30		DFEDHN
CCC(C)(C)N1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000594020920	398723824	/nfs/dbraw/zinc/72/38/24/398723824.db2.gz	NRTIGXRFAGTEGV-UHFFFAOYSA-N	0	3	301.434	2.743	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H]1CCCCN1CC	ZINC000110997149	398725256	/nfs/dbraw/zinc/72/52/56/398725256.db2.gz	WCKOWBGEZGGCAP-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1CC	ZINC000110997152	398725349	/nfs/dbraw/zinc/72/53/49/398725349.db2.gz	WCKOWBGEZGGCAP-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
N#CCc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000594060595	398735560	/nfs/dbraw/zinc/73/55/60/398735560.db2.gz	VLQRXLDGKNBEKS-SJORKVTESA-N	0	3	312.417	2.891	20	30		DFEDHN
N#Cc1c(N2CC[C@H](N3CCCC3)C2)nc2cc(Cl)ccn12	ZINC000376220648	283079999	/nfs/dbraw/zinc/07/99/99/283079999.db2.gz	JYSMGPKHQJEWHK-ZDUSSCGKSA-N	0	3	315.808	2.534	20	30		DFEDHN
CCN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCN(CC)C1	ZINC000598044158	398742268	/nfs/dbraw/zinc/74/22/68/398742268.db2.gz	YTHCVTGHTCHDHB-HNNXBMFYSA-N	0	3	317.458	2.593	20	30		DFEDHN
C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc2ccccc2c1	ZINC000591241587	398741603	/nfs/dbraw/zinc/74/16/03/398741603.db2.gz	LDIAGPZMDQIDIE-BEFAXECRSA-N	0	3	311.429	2.697	20	30		DFEDHN
C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc2ccccc2c1	ZINC000591241589	398741730	/nfs/dbraw/zinc/74/17/30/398741730.db2.gz	LDIAGPZMDQIDIE-HNAYVOBHSA-N	0	3	311.429	2.697	20	30		DFEDHN
CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCN(CC)C1	ZINC000598039669	398742027	/nfs/dbraw/zinc/74/20/27/398742027.db2.gz	LTJKMNUHHYNWAT-ZDUSSCGKSA-N	0	3	305.809	2.768	20	30		DFEDHN
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(CC)C1	ZINC000598042815	398742845	/nfs/dbraw/zinc/74/28/45/398742845.db2.gz	YNARDLRWBFLXEN-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1	ZINC000591377348	398754094	/nfs/dbraw/zinc/75/40/94/398754094.db2.gz	PJPYKSBPBZUKEF-XNRPHZJLSA-N	0	3	315.442	2.537	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C(C)C	ZINC000047633761	398755611	/nfs/dbraw/zinc/75/56/11/398755611.db2.gz	YSHSOVAHHUWHFI-CYBMUJFWSA-N	0	3	321.377	2.616	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594229531	398769812	/nfs/dbraw/zinc/76/98/12/398769812.db2.gz	GBLDOVPQJHMQSJ-JKSUJKDBSA-N	0	3	313.445	2.727	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000594250155	398774750	/nfs/dbraw/zinc/77/47/50/398774750.db2.gz	DJDPMDLIUPKSSY-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN1CCN(CCOc2cccc(C#N)c2)C2(CCCCC2)C1	ZINC000081598483	192299424	/nfs/dbraw/zinc/29/94/24/192299424.db2.gz	YOVIHJKSDYXSRE-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
CC(C)N1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594275754	398778471	/nfs/dbraw/zinc/77/84/71/398778471.db2.gz	DKIMQPOPOYPYJL-MRXNPFEDSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1	ZINC000081687333	192313688	/nfs/dbraw/zinc/31/36/88/192313688.db2.gz	ZYHJCUJACCYOMF-ONEGZZNKSA-N	0	3	302.393	2.996	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2	ZINC000594282863	398779154	/nfs/dbraw/zinc/77/91/54/398779154.db2.gz	ANHDERDSWVIZFA-QZTJIDSGSA-N	0	3	324.428	2.600	20	30		DFEDHN
N#CCSCCCN1CCN(CCc2cccs2)CC1	ZINC000074982190	398779386	/nfs/dbraw/zinc/77/93/86/398779386.db2.gz	ZZMQITZBWDHFEV-UHFFFAOYSA-N	0	3	309.504	2.555	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@@H]1CCc2cc(C#N)ccc21	ZINC000591763744	398785514	/nfs/dbraw/zinc/78/55/14/398785514.db2.gz	GUQSMYOUMCCZAL-IEBWSBKVSA-N	0	3	322.408	2.884	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000594342102	398785100	/nfs/dbraw/zinc/78/51/00/398785100.db2.gz	XZTVMJBRRNGTAZ-CABCVRRESA-N	0	3	311.429	2.503	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCCC[C@@H]1C	ZINC000048981670	398789672	/nfs/dbraw/zinc/78/96/72/398789672.db2.gz	ANAUYUQIRYKJCO-GJZGRUSLSA-N	0	3	314.433	2.620	20	30		DFEDHN
C[C@H](Cc1ccccn1)NC(=O)C(C#N)CCc1ccccc1	ZINC000594402924	398793242	/nfs/dbraw/zinc/79/32/42/398793242.db2.gz	UZSAWUAXAMCFBO-WBVHZDCISA-N	0	3	307.397	2.901	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000594424584	398797776	/nfs/dbraw/zinc/79/77/76/398797776.db2.gz	GISOYZUFYSWTOQ-GFCCVEGCSA-N	0	3	315.295	2.935	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)s1)c1ccc(NC(N)=O)cc1	ZINC000135692077	283228305	/nfs/dbraw/zinc/22/83/05/283228305.db2.gz	PDRGGLDCJXMGDZ-SNVBAGLBSA-N	0	3	300.387	2.961	20	30		DFEDHN
CCCCCc1nnc(NC(=O)[C@H](N)CCCCC#N)s1	ZINC000594425517	398797915	/nfs/dbraw/zinc/79/79/15/398797915.db2.gz	KJXQHBLEEQRPPW-LLVKDONJSA-N	0	3	309.439	2.621	20	30		DFEDHN
CC(C)Oc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594427192	398798806	/nfs/dbraw/zinc/79/88/06/398798806.db2.gz	GSCHVUVOJSRGFQ-OAHLLOKOSA-N	0	3	303.406	2.501	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1	ZINC000594429321	398798818	/nfs/dbraw/zinc/79/88/18/398798818.db2.gz	STWUQAKWOCJTIX-IAGOWNOFSA-N	0	3	317.408	2.770	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1Cl	ZINC000594426924	398798838	/nfs/dbraw/zinc/79/88/38/398798838.db2.gz	HRGQXJIPADMDJD-OCCSQVGLSA-N	0	3	323.824	2.635	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1	ZINC000594428467	398798855	/nfs/dbraw/zinc/79/88/55/398798855.db2.gz	YSIMAMSRGZMFRM-DLBZAZTESA-N	0	3	317.433	2.920	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccccc1C(F)(F)F	ZINC000594427216	398798966	/nfs/dbraw/zinc/79/89/66/398798966.db2.gz	HGGJVOOHUIHVBH-CYBMUJFWSA-N	0	3	313.323	2.733	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000594430348	398799556	/nfs/dbraw/zinc/79/95/56/398799556.db2.gz	ZUNGUAZFEIFBLT-WOPDTQHZSA-N	0	3	305.344	2.635	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1	ZINC000594429723	398799679	/nfs/dbraw/zinc/79/96/79/398799679.db2.gz	VSCFWZNFIYNZDZ-JKSUJKDBSA-N	0	3	303.381	2.900	20	30		DFEDHN
Cc1c(CNC(=O)[C@H](N)CCCCC#N)oc2ccc(F)cc12	ZINC000594432203	398800281	/nfs/dbraw/zinc/80/02/81/398800281.db2.gz	ZPXGEVNIIAUNJN-CQSZACIVSA-N	0	3	317.364	2.908	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Sc1ccccc1	ZINC000594433292	398800330	/nfs/dbraw/zinc/80/03/30/398800330.db2.gz	NJLXWKQTTDEUPV-HIFRSBDPSA-N	0	3	305.447	2.695	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1-c1ncco1	ZINC000594433046	398800170	/nfs/dbraw/zinc/80/01/70/398800170.db2.gz	JZLOCPMNNRJBGU-HNNXBMFYSA-N	0	3	312.373	3.000	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)CC(F)F	ZINC000594433602	398800230	/nfs/dbraw/zinc/80/02/30/398800230.db2.gz	PONQETXBXRMDRD-AWEZNQCLSA-N	0	3	309.360	2.692	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1F	ZINC000594433227	398800679	/nfs/dbraw/zinc/80/06/79/398800679.db2.gz	MJJAMQZAJBODFP-UKRRQHHQSA-N	0	3	321.396	2.511	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C12CCCCC2	ZINC000594433765	398801222	/nfs/dbraw/zinc/80/12/22/398801222.db2.gz	SHQUIYMEDRHWLX-ARFHVFGLSA-N	0	3	321.465	2.642	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCc2cc(Cl)ccc2C1	ZINC000594437288	398802108	/nfs/dbraw/zinc/80/21/08/398802108.db2.gz	MVTBFDWQHNNOQT-HNNXBMFYSA-N	0	3	305.809	2.636	20	30		DFEDHN
Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594437739	398802434	/nfs/dbraw/zinc/80/24/34/398802434.db2.gz	OWJDWQCXGXOWAC-HNNXBMFYSA-N	0	3	311.389	2.531	20	30		DFEDHN
CC[C@](C)(NC(=O)[C@H](N)CCCCC#N)c1nc(C)cs1	ZINC000594440027	398802950	/nfs/dbraw/zinc/80/29/50/398802950.db2.gz	XYKTUVYCQOUVAQ-DOMZBBRYSA-N	0	3	308.451	2.604	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)c1ccccc1	ZINC000594439322	398802980	/nfs/dbraw/zinc/80/29/80/398802980.db2.gz	PZDIHHIRNNBBQB-GDBMZVCRSA-N	0	3	301.434	2.880	20	30		DFEDHN
CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F	ZINC000594442444	398803297	/nfs/dbraw/zinc/80/32/97/398803297.db2.gz	GIMPFIMAIQUFIK-MNOVXSKESA-N	0	3	307.360	2.881	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCOc2cc(F)ccc21	ZINC000594441998	398803348	/nfs/dbraw/zinc/80/33/48/398803348.db2.gz	AZAMOXWNDDNJRI-LSDHHAIUSA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1CCC(C(F)(F)F)CC1	ZINC000594443480	398803916	/nfs/dbraw/zinc/80/39/16/398803916.db2.gz	IGZVMSAVZITZFT-BPCQOVAHSA-N	0	3	319.371	2.883	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCS[C@H](c2ccccc2)C1	ZINC000594444484	398804148	/nfs/dbraw/zinc/80/41/48/398804148.db2.gz	NMYGLCYDVWJRNP-HOTGVXAUSA-N	0	3	317.458	2.714	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCS[C@@H](c2ccccc2)C1	ZINC000594444485	398804181	/nfs/dbraw/zinc/80/41/81/398804181.db2.gz	NMYGLCYDVWJRNP-HZPDHXFCSA-N	0	3	317.458	2.714	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1C	ZINC000594445749	398804561	/nfs/dbraw/zinc/80/45/61/398804561.db2.gz	LHZGONOKVDGEPF-HOTGVXAUSA-N	0	3	317.433	2.680	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F	ZINC000594445420	398804697	/nfs/dbraw/zinc/80/46/97/398804697.db2.gz	FGTASKDQXIFMMO-RYUDHWBXSA-N	0	3	305.344	2.635	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1C	ZINC000594445751	398804887	/nfs/dbraw/zinc/80/48/87/398804887.db2.gz	LHZGONOKVDGEPF-JKSUJKDBSA-N	0	3	317.433	2.680	20	30		DFEDHN
COc1cccc2nc(NC(=O)[C@@H](N)CCCCC#N)sc21	ZINC000594450377	398805494	/nfs/dbraw/zinc/80/54/94/398805494.db2.gz	JVGHYWCYNQVEBL-JTQLQIEISA-N	0	3	318.402	2.655	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc([N+](=O)[O-])c1	ZINC000594445534	398804818	/nfs/dbraw/zinc/80/48/18/398804818.db2.gz	HCCZVGBVJDKIKM-HUUCEWRRSA-N	0	3	318.377	2.573	20	30		DFEDHN
CCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)Cc1ccsc1	ZINC000594456816	398806614	/nfs/dbraw/zinc/80/66/14/398806614.db2.gz	RZHWWPWSCYZHEV-DZGCQCFKSA-N	0	3	307.463	2.939	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1cccc2ccsc21	ZINC000594453178	398805988	/nfs/dbraw/zinc/80/59/88/398805988.db2.gz	LHWSNRMZUGIHKA-CQSZACIVSA-N	0	3	301.415	2.929	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@H](N)CCCCC#N)Nc1ccccc1	ZINC000594463650	398806991	/nfs/dbraw/zinc/80/69/91/398806991.db2.gz	JGOBFTXQBLIPFK-SJORKVTESA-N	0	3	316.449	2.651	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@H](N)CCCCC#N)Nc1ccccc1	ZINC000594463648	398807114	/nfs/dbraw/zinc/80/71/14/398807114.db2.gz	JGOBFTXQBLIPFK-IAGOWNOFSA-N	0	3	316.449	2.651	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCC(C)(C)S(C)(=O)=O)cc1	ZINC000594506607	398811948	/nfs/dbraw/zinc/81/19/48/398811948.db2.gz	DANGHXHUWMTWDV-UHFFFAOYSA-N	0	3	322.474	2.791	20	30		DFEDHN
CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594506008	398812015	/nfs/dbraw/zinc/81/20/15/398812015.db2.gz	IMOVDRXHJFIBHQ-SJORKVTESA-N	0	3	318.461	2.735	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)c(OC)c2)CC1	ZINC000179344057	199018252	/nfs/dbraw/zinc/01/82/52/199018252.db2.gz	FXZNOILFOHFLKT-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
COC[C@@H](CC(C)(C)C)NCc1cnc2ccc(C#N)cn12	ZINC000594515603	398814524	/nfs/dbraw/zinc/81/45/24/398814524.db2.gz	OITLMTQQRIUKJB-CQSZACIVSA-N	0	3	300.406	2.747	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)CNCC3)C2	ZINC000594539351	398817571	/nfs/dbraw/zinc/81/75/71/398817571.db2.gz	ZXBPFECVLVWQCY-UHFFFAOYSA-N	0	3	318.380	2.752	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594596966	398827531	/nfs/dbraw/zinc/82/75/31/398827531.db2.gz	BQCNBGSXZQFYTL-KBPBESRZSA-N	0	3	300.362	2.895	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2	ZINC000051589217	398825000	/nfs/dbraw/zinc/82/50/00/398825000.db2.gz	WVOBWUJGVBYMJC-UHFFFAOYSA-N	0	3	324.380	2.840	20	30		DFEDHN
CCc1nnc(N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)c1CC	ZINC000594602390	398828945	/nfs/dbraw/zinc/82/89/45/398828945.db2.gz	QLBJXEFOOBUPCV-IAGOWNOFSA-N	0	3	313.449	2.902	20	30		DFEDHN
CC#CCN1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000075926147	398829013	/nfs/dbraw/zinc/82/90/13/398829013.db2.gz	PVLMWVKXANFABG-CYBMUJFWSA-N	0	3	304.356	2.523	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(NC(=O)C3CC3)CC2)c1	ZINC000179911880	199093462	/nfs/dbraw/zinc/09/34/62/199093462.db2.gz	ABLFYSVWCFMQAS-UHFFFAOYSA-N	0	3	314.429	2.742	20	30		DFEDHN
C[C@@]1(C(F)F)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000598571374	398833431	/nfs/dbraw/zinc/83/34/31/398833431.db2.gz	GUTLTAQFODQQII-PBHICJAKSA-N	0	3	322.355	2.642	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)Nc1nncs1)c1ccccc1	ZINC000180044485	199111469	/nfs/dbraw/zinc/11/14/69/199111469.db2.gz	NCQMKGFBIBJULS-CYBMUJFWSA-N	0	3	302.403	2.774	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](CN1CCCC1)c1ccccc1	ZINC000598603568	398839831	/nfs/dbraw/zinc/83/98/31/398839831.db2.gz	WAVWZYZXSMVYHA-ROUUACIJSA-N	0	3	315.461	2.714	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@]2(C1)OCc1ccccc12	ZINC000598606363	398840443	/nfs/dbraw/zinc/84/04/43/398840443.db2.gz	FAWRZYYYCLSEHO-VQIMIIECSA-N	0	3	314.429	2.809	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1[N+](=O)[O-]	ZINC000598601363	398839146	/nfs/dbraw/zinc/83/91/46/398839146.db2.gz	JSKXMIAPVMAWDA-OCCSQVGLSA-N	0	3	305.378	2.855	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](c1cccs1)C(C)(C)CO	ZINC000598616199	398842244	/nfs/dbraw/zinc/84/22/44/398842244.db2.gz	KFWDLEFZIUTEGJ-TZMCWYRMSA-N	0	3	310.463	2.698	20	30		DFEDHN
CCOC[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180241599	199135066	/nfs/dbraw/zinc/13/50/66/199135066.db2.gz	QVXILLKPOKAEID-MRXNPFEDSA-N	0	3	324.428	2.817	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(C#N)cn1C	ZINC000152875912	283343398	/nfs/dbraw/zinc/34/33/98/283343398.db2.gz	AVUPQNWCLDQRBP-UHFFFAOYSA-N	0	3	324.428	2.537	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCCc1ccccc1	ZINC000052802612	398851873	/nfs/dbraw/zinc/85/18/73/398851873.db2.gz	MKTQEBVTQWLZDE-LPHOPBHVSA-N	0	3	315.461	2.994	20	30		DFEDHN
COc1ccccc1[C@@H]1CNCCN1Cc1ccccc1C#N	ZINC000598680513	398854545	/nfs/dbraw/zinc/85/45/45/398854545.db2.gz	YVFWDTGBENHDHW-SFHVURJKSA-N	0	3	307.397	2.713	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C)nc1C)C(C)C	ZINC000180394183	199153800	/nfs/dbraw/zinc/15/38/00/199153800.db2.gz	XDMKLSCOIQJCBE-KRWDZBQOSA-N	0	3	316.449	2.522	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000180498728	199167209	/nfs/dbraw/zinc/16/72/09/199167209.db2.gz	TVVYBVKPJSXQQJ-CJNGLKHVSA-N	0	3	309.417	2.939	20	30		DFEDHN
CO[C@@H](CNC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598718214	398860421	/nfs/dbraw/zinc/86/04/21/398860421.db2.gz	CTEBLRFQBOGHGW-GJZGRUSLSA-N	0	3	310.825	2.918	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1cccc(C#N)c1	ZINC000076800091	398870062	/nfs/dbraw/zinc/87/00/62/398870062.db2.gz	KLGJUCVKXWWSHD-CQSZACIVSA-N	0	3	314.433	2.602	20	30		DFEDHN
CN(C)CCn1cc(NCc2ccc(C3(C#N)CC3)cc2)cn1	ZINC000594920465	398871876	/nfs/dbraw/zinc/87/18/76/398871876.db2.gz	AJJSZTMVCCOOHH-UHFFFAOYSA-N	0	3	309.417	2.612	20	30		DFEDHN
CCc1nnc2n1C[C@H](NCc1ccc(C3(C#N)CC3)cc1)CC2	ZINC000594921362	398871543	/nfs/dbraw/zinc/87/15/43/398871543.db2.gz	BVXANPRZZGSYJK-MRXNPFEDSA-N	0	3	321.428	2.500	20	30		DFEDHN
COC(=O)C(C)(C)CCNCc1ccc(C2(C#N)CC2)cc1	ZINC000594941056	398877811	/nfs/dbraw/zinc/87/78/11/398877811.db2.gz	QGJLUJFEAKBUGE-UHFFFAOYSA-N	0	3	300.402	2.921	20	30		DFEDHN
C[C@H](CO[C@@H]1CCOC1)NCc1ccc(C2(C#N)CC2)cc1	ZINC000594933195	398874903	/nfs/dbraw/zinc/87/49/03/398874903.db2.gz	ZZZFBROINDUCRR-RHSMWYFYSA-N	0	3	300.402	2.525	20	30		DFEDHN
C=CCCSCCNCc1ccc(C(=O)NC2CC2)cc1	ZINC000594960362	398881725	/nfs/dbraw/zinc/88/17/25/398881725.db2.gz	OXUMHHZGAHYFHQ-UHFFFAOYSA-N	0	3	304.459	2.978	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000594946593	398879168	/nfs/dbraw/zinc/87/91/68/398879168.db2.gz	QELQLPHRKPCJAZ-IAGOWNOFSA-N	0	3	300.402	2.525	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2NCc2ccc(C3(C#N)CC3)cc2)cn1	ZINC000594949623	398879678	/nfs/dbraw/zinc/87/96/78/398879678.db2.gz	GOWKUHFUGCDHCD-MSOLQXFVSA-N	0	3	322.412	2.595	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(C(F)(F)F)c1	ZINC000594988275	398887262	/nfs/dbraw/zinc/88/72/62/398887262.db2.gz	OPCGXBNQSOBBLA-ZIAGYGMSSA-N	0	3	310.319	2.970	20	30		DFEDHN
COc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cn1	ZINC000594982310	398886250	/nfs/dbraw/zinc/88/62/50/398886250.db2.gz	CIRCXERWRXUBCS-UHFFFAOYSA-N	0	3	323.396	2.757	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2CNCC2(C#N)CCCCC2)cn1	ZINC000594982117	398886485	/nfs/dbraw/zinc/88/64/85/398886485.db2.gz	ZDYSBHMFUGBPPE-GOEBONIOSA-N	0	3	302.422	2.561	20	30		DFEDHN
CCS(=O)(=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000594995894	398888788	/nfs/dbraw/zinc/88/87/88/398888788.db2.gz	LNUAOKSVEPFABU-UHFFFAOYSA-N	0	3	320.458	2.545	20	30		DFEDHN
CC1CCC2(CC1)OC[C@@H](CNCc1ccc(C#N)cc1)O2	ZINC000181088585	199251304	/nfs/dbraw/zinc/25/13/04/199251304.db2.gz	FMEKTZVKZZCUHY-ZCDVPAHGSA-N	0	3	300.402	2.970	20	30		DFEDHN
COc1cc(CN[C@@H]2CCO[C@H]2c2ccncc2)ccc1C#N	ZINC000598998137	398905692	/nfs/dbraw/zinc/90/56/92/398905692.db2.gz	OKYDLJCDVVJBOF-AEFFLSMTSA-N	0	3	309.369	2.582	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000077498251	398907207	/nfs/dbraw/zinc/90/72/07/398907207.db2.gz	GVEPLHMRJKLFSP-UHFFFAOYSA-N	0	3	304.369	2.645	20	30		DFEDHN
COC(=O)CC1CCC(NCc2ccc(C#N)cc2F)CC1	ZINC000599028734	398909722	/nfs/dbraw/zinc/90/97/22/398909722.db2.gz	WUQALSMTTVNEEF-UHFFFAOYSA-N	0	3	304.365	2.909	20	30		DFEDHN
N#Cc1cccc(CNCC[C@@H](O)COCc2ccccc2)c1	ZINC000599023393	398909329	/nfs/dbraw/zinc/90/93/29/398909329.db2.gz	SDWCQTDTCRCCJQ-LJQANCHMSA-N	0	3	310.397	2.616	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCCC2CCCC2)cc1	ZINC000147740549	398913581	/nfs/dbraw/zinc/91/35/81/398913581.db2.gz	PRFBXXMVEOWXEP-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)C[C@H]1NCc3ccccc31)C2	ZINC000595250207	398912928	/nfs/dbraw/zinc/91/29/28/398912928.db2.gz	MQJNEFXWKRLITL-GOSISDBHSA-N	0	3	303.365	2.635	20	30		DFEDHN
CCOC(=O)CCN(C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000595308544	398920518	/nfs/dbraw/zinc/92/05/18/398920518.db2.gz	KBOLEXHUZONYAP-UHFFFAOYSA-N	0	3	314.307	2.962	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(OCC#N)c1	ZINC000077747676	398922147	/nfs/dbraw/zinc/92/21/47/398922147.db2.gz	XJUQPRBQIYZXBQ-AWEZNQCLSA-N	0	3	316.405	2.585	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(OCC#N)c1	ZINC000077747678	398922299	/nfs/dbraw/zinc/92/22/99/398922299.db2.gz	XJUQPRBQIYZXBQ-CQSZACIVSA-N	0	3	316.405	2.585	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ccc(C#N)cc1	ZINC000595339636	398924217	/nfs/dbraw/zinc/92/42/17/398924217.db2.gz	ZOPNBCDRDOCESW-MOPGFXCFSA-N	0	3	313.445	2.822	20	30		DFEDHN
N#Cc1cnc(NC[C@@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1	ZINC000599128311	398925126	/nfs/dbraw/zinc/92/51/26/398925126.db2.gz	WJYSDMLUIMXYMN-AWEZNQCLSA-N	0	3	315.377	2.680	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1	ZINC000599149719	398929220	/nfs/dbraw/zinc/92/92/20/398929220.db2.gz	UXKUQQNMBAJYGC-AEFFLSMTSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-]	ZINC000599163632	398931894	/nfs/dbraw/zinc/93/18/94/398931894.db2.gz	GADTVKFPYMWSGM-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
C#C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C	ZINC000282216760	334990623	/nfs/dbraw/zinc/99/06/23/334990623.db2.gz	MLEDYSHWIBOSKL-GOSISDBHSA-N	0	3	313.445	2.608	20	30		DFEDHN
N#Cc1ccc(CCN2CCC(OC[C@H]3CCOC3)CC2)cc1	ZINC000595400823	398932843	/nfs/dbraw/zinc/93/28/43/398932843.db2.gz	NVHCOZKQXNUUSY-SFHVURJKSA-N	0	3	314.429	2.618	20	30		DFEDHN
C[S@@](=O)C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416347	398934359	/nfs/dbraw/zinc/93/43/59/398934359.db2.gz	ANTPXOFIQXNSGU-PGRDOPGGSA-N	0	3	312.438	2.810	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1	ZINC000595428878	398936642	/nfs/dbraw/zinc/93/66/42/398936642.db2.gz	OXSNYWRSYFXMIX-ZTFGCOKTSA-N	0	3	317.408	2.575	20	30		DFEDHN
C[C@@H]1CN(CCCNc2nc(Cl)c(C#N)s2)CCCO1	ZINC000287958999	219834541	/nfs/dbraw/zinc/83/45/41/219834541.db2.gz	YYEYOVNTNBDQOB-SNVBAGLBSA-N	0	3	314.842	2.581	20	30		DFEDHN
C[C@@H](c1cccs1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599263125	398944153	/nfs/dbraw/zinc/94/41/53/398944153.db2.gz	CMULEWCDHXMPJM-UONOGXRCSA-N	0	3	308.447	2.812	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCO[C@H](c3ccccc3)C2)CC1	ZINC000599285753	398948029	/nfs/dbraw/zinc/94/80/29/398948029.db2.gz	YDROPYARHQVRJY-IRXDYDNUSA-N	0	3	300.402	2.505	20	30		DFEDHN
COCCCN1CCCN(c2c(Cl)cccc2C#N)CC1	ZINC000078302355	398947486	/nfs/dbraw/zinc/94/74/86/398947486.db2.gz	COAJRPWCGRPEGP-UHFFFAOYSA-N	0	3	307.825	2.760	20	30		DFEDHN
CC(C)[C@@](C)(NCc1ccc(C#N)cc1C(F)(F)F)C(N)=O	ZINC000595483339	398947757	/nfs/dbraw/zinc/94/77/57/398947757.db2.gz	LKACLSVKQJWSCF-CQSZACIVSA-N	0	3	313.323	2.567	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@H](Oc3ccccc3)C2)CC1	ZINC000599292866	398948806	/nfs/dbraw/zinc/94/88/06/398948806.db2.gz	JCNOGKSMFRKUNX-RDJZCZTQSA-N	0	3	300.402	2.585	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@H](CC#N)C1	ZINC000595503015	398951032	/nfs/dbraw/zinc/95/10/32/398951032.db2.gz	YULOUUBSLSVIEM-BZUAXINKSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000272003804	209375518	/nfs/dbraw/zinc/37/55/18/209375518.db2.gz	RXKBSRAHLGGIJA-MRXNPFEDSA-N	0	3	304.434	2.606	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1OC	ZINC000271973379	209352018	/nfs/dbraw/zinc/35/20/18/209352018.db2.gz	CPRJJXMLKKDZRD-QAPCUYQASA-N	0	3	316.401	2.778	20	30		DFEDHN
CC[C@@H](c1ccncc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599337963	398956094	/nfs/dbraw/zinc/95/60/94/398956094.db2.gz	NLEJFEJOFGKWOO-IRXDYDNUSA-N	0	3	317.433	2.536	20	30		DFEDHN
CCn1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000271907145	209313931	/nfs/dbraw/zinc/31/39/31/209313931.db2.gz	WZFCJXCORYLWLT-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C[C@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000158821132	398960880	/nfs/dbraw/zinc/96/08/80/398960880.db2.gz	WTWSTUVOEMVGFP-ZFWWWQNUSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1	ZINC000599365393	398964490	/nfs/dbraw/zinc/96/44/90/398964490.db2.gz	AYZYAYNGKCKVHC-JSGCOSHPSA-N	0	3	304.438	2.652	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCCCC#N	ZINC000078557747	398965739	/nfs/dbraw/zinc/96/57/39/398965739.db2.gz	UXNIUXGKTIOGIE-UHFFFAOYSA-N	0	3	319.478	2.888	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000281413269	216283116	/nfs/dbraw/zinc/28/31/16/216283116.db2.gz	XIQXAZNWJILSFX-SJKOYZFVSA-N	0	3	311.385	2.881	20	30		DFEDHN
CCN(CCC#N)C(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000078611429	398972555	/nfs/dbraw/zinc/97/25/55/398972555.db2.gz	CSJCXHFZLXUIPL-UHFFFAOYSA-N	0	3	318.421	2.703	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CCCOC1	ZINC000600164570	398981517	/nfs/dbraw/zinc/98/15/17/398981517.db2.gz	IAPLRICGGHOFQT-DLBZAZTESA-N	0	3	300.402	2.692	20	30		DFEDHN
CC[C@@H](C)C[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163102479	398984836	/nfs/dbraw/zinc/98/48/36/398984836.db2.gz	USYJWSFECHCUPZ-KGLIPLIRSA-N	0	3	308.447	2.746	20	30		DFEDHN
C[C@H]1CN(C[C@@H](O)CC2(C#N)CC2)CCc2ccc(F)cc21	ZINC000599453542	398986413	/nfs/dbraw/zinc/98/64/13/398986413.db2.gz	UOGRSOOBBFPZNS-BBRMVZONSA-N	0	3	302.393	2.842	20	30		DFEDHN
COc1cccc([C@]2(C)CCN(C[C@H](O)CC3(C#N)CC3)C2)c1	ZINC000599467657	398988978	/nfs/dbraw/zinc/98/89/78/398988978.db2.gz	IYXDUJHXBFAEGR-SJLPKXTDSA-N	0	3	314.429	2.713	20	30		DFEDHN
Cc1cc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c(C)o1	ZINC000195269231	201369225	/nfs/dbraw/zinc/36/92/25/201369225.db2.gz	HZBNYBJUAWTRIZ-BBRMVZONSA-N	0	3	314.385	2.859	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000595609133	398996733	/nfs/dbraw/zinc/99/67/33/398996733.db2.gz	GQCXOXYSTFJCRG-DLBZAZTESA-N	0	3	302.418	2.669	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000595609173	398996763	/nfs/dbraw/zinc/99/67/63/398996763.db2.gz	HMUQSRCOSDUVHG-IRXDYDNUSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H](O)COCc2ccccc2Cl)C1	ZINC000595610335	398997814	/nfs/dbraw/zinc/99/78/14/398997814.db2.gz	WOIAPEQLJBKEGM-ZBFHGGJFSA-N	0	3	322.836	2.843	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)C1(F)F	ZINC000599512869	399000248	/nfs/dbraw/zinc/00/02/48/399000248.db2.gz	OQJOXGVCZVKWJN-NFAWXSAZSA-N	0	3	324.371	2.521	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H](O)COc2cccc3[nH]ccc32)C1	ZINC000595614754	399000733	/nfs/dbraw/zinc/00/07/33/399000733.db2.gz	NQBGNAKGASPOLV-CABCVRRESA-N	0	3	313.401	2.533	20	30		DFEDHN
C=CC[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1	ZINC000599526298	399002265	/nfs/dbraw/zinc/00/22/65/399002265.db2.gz	KCUBHTREVWFLLD-CYBMUJFWSA-N	0	3	306.362	2.880	20	30		DFEDHN
C=CC[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000599530504	399003610	/nfs/dbraw/zinc/00/36/10/399003610.db2.gz	YVSYVDSRZUWXFN-SJLPKXTDSA-N	0	3	309.413	2.952	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCOCCC#N	ZINC000599536645	399006448	/nfs/dbraw/zinc/00/64/48/399006448.db2.gz	NJISRFIABZINQM-LJQANCHMSA-N	0	3	315.461	2.759	20	30		DFEDHN
CSc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000595623266	399005924	/nfs/dbraw/zinc/00/59/24/399005924.db2.gz	LNTOUEUTXCBILE-GJZGRUSLSA-N	0	3	320.458	2.774	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@H](CC#N)C2)C1	ZINC000595623393	399008122	/nfs/dbraw/zinc/00/81/22/399008122.db2.gz	OQSVOQMAGZCVLL-HZPDHXFCSA-N	0	3	305.466	2.897	20	30		DFEDHN
CC(C)(NC[C@@H](O)COc1ccccc1)c1cccc(C#N)c1	ZINC000595642166	399016216	/nfs/dbraw/zinc/01/62/16/399016216.db2.gz	PVHDMGQYNWEDLL-QGZVFWFLSA-N	0	3	310.397	2.823	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1N1CCCC1	ZINC000275382944	212301050	/nfs/dbraw/zinc/30/10/50/212301050.db2.gz	BQQPWHBRZONBPG-JKSUJKDBSA-N	0	3	305.422	2.713	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1cccc(C)c1)C(C)C	ZINC000599627748	399033097	/nfs/dbraw/zinc/03/30/97/399033097.db2.gz	NMNSPVNJUYTJOW-GDBMZVCRSA-N	0	3	317.433	2.682	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C)[C@H](CO)C2)cc(OC)c1O	ZINC000621737488	399057343	/nfs/dbraw/zinc/05/73/43/399057343.db2.gz	RGEJFMPROLAZPG-BBRMVZONSA-N	0	3	305.418	2.580	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000600469494	399058507	/nfs/dbraw/zinc/05/85/07/399058507.db2.gz	BNFPYUOEAQPVFE-ZANVPECISA-N	0	3	314.216	2.872	20	30		DFEDHN
COC(=O)C1C[C@H](C)N(Cc2ccc(CC#N)cc2)[C@@H](C)C1	ZINC000599694061	399067605	/nfs/dbraw/zinc/06/76/05/399067605.db2.gz	GGTFZAWMHWGWDC-KBPBESRZSA-N	0	3	300.402	2.915	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)c2ccccc2Cl)cc1	ZINC000172122716	399066725	/nfs/dbraw/zinc/06/67/25/399066725.db2.gz	QQAWGWGFSZUQJT-UHFFFAOYSA-N	0	3	313.788	2.731	20	30		DFEDHN
N#Cc1cccc(C2(NCCOCC3CC3)CCOCC2)c1	ZINC000595764658	399074948	/nfs/dbraw/zinc/07/49/48/399074948.db2.gz	KNHFSYILFPUVHS-UHFFFAOYSA-N	0	3	300.402	2.580	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@H]2NCc2cc(C#N)ccc2F)cn1	ZINC000595768025	399076846	/nfs/dbraw/zinc/07/68/46/399076846.db2.gz	FCHTXQZBIIZAES-MAUKXSAKSA-N	0	3	312.392	2.932	20	30		DFEDHN
CO[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000275247895	212222347	/nfs/dbraw/zinc/22/23/47/212222347.db2.gz	PTSIWUJZKZOAHW-HIFRSBDPSA-N	0	3	321.808	2.697	20	30		DFEDHN
CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000079790213	399084708	/nfs/dbraw/zinc/08/47/08/399084708.db2.gz	KGFMEHUPPTVTLA-MSOLQXFVSA-N	0	3	313.445	2.885	20	30		DFEDHN
N#CCCOCCN1CCC2(CCc3ccccc3O2)CC1	ZINC000595827692	399100489	/nfs/dbraw/zinc/10/04/89/399100489.db2.gz	FKOUOBZTZHYTGY-UHFFFAOYSA-N	0	3	300.402	2.776	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C1(C#N)CCCCC1	ZINC000595841110	399109527	/nfs/dbraw/zinc/10/95/27/399109527.db2.gz	HZXIIWIDWBMANI-IYBDPMFKSA-N	0	3	301.434	2.854	20	30		DFEDHN
C[C@]1(C#N)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000595844371	399111088	/nfs/dbraw/zinc/11/10/88/399111088.db2.gz	SDJRNNXAVXORAE-RBUKOAKNSA-N	0	3	313.445	2.513	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CCc2ccccc21	ZINC000595878364	399120445	/nfs/dbraw/zinc/12/04/45/399120445.db2.gz	NPBAGXQQZNKCPE-GDBMZVCRSA-N	0	3	311.429	2.599	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCCOc3ccc(F)cc32)CC1	ZINC000600717986	399123261	/nfs/dbraw/zinc/12/32/61/399123261.db2.gz	DQQLYEWVLSUPOF-HIFRSBDPSA-N	0	3	304.365	2.684	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccnc(OC3CCCC3)c2)CC1	ZINC000600717381	399123376	/nfs/dbraw/zinc/12/33/76/399123376.db2.gz	LEJJWGQHCQFLAW-HNNXBMFYSA-N	0	3	315.417	2.547	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(Br)cc2)CC1	ZINC000600722095	399123997	/nfs/dbraw/zinc/12/39/97/399123997.db2.gz	XOHHRCSDTOPPOZ-ZDUSSCGKSA-N	0	3	309.207	2.593	20	30		DFEDHN
COc1ccc2ccccc2c1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600719344	399122958	/nfs/dbraw/zinc/12/29/58/399122958.db2.gz	VESOUYGXBFMUCP-HNNXBMFYSA-N	0	3	310.397	2.993	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093605213	193272572	/nfs/dbraw/zinc/27/25/72/193272572.db2.gz	GRJCMKNOVIUSCM-JKSUJKDBSA-N	0	3	312.417	2.841	20	30		DFEDHN
CCO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093605216	193273266	/nfs/dbraw/zinc/27/32/66/193273266.db2.gz	GRJCMKNOVIUSCM-CVEARBPZSA-N	0	3	312.417	2.841	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2nc3ccccc3n2C2CC2)CC1	ZINC000600733014	399129238	/nfs/dbraw/zinc/12/92/38/399129238.db2.gz	AEZZNJTUKANEOP-AWEZNQCLSA-N	0	3	310.401	2.516	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2nccnc2C#N)CCN1Cc1ccccc1	ZINC000080231197	399129301	/nfs/dbraw/zinc/12/93/01/399129301.db2.gz	GLIKVCCVBDQXIC-GDBMZVCRSA-N	0	3	307.401	2.813	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(C(F)F)cc2)CCOCC1	ZINC000600734863	399129049	/nfs/dbraw/zinc/12/90/49/399129049.db2.gz	KZXZNFWJYASEOI-HNNXBMFYSA-N	0	3	324.371	2.785	20	30		DFEDHN
Cc1ccc(Br)c(CNC[C@@H](O)CC2(C#N)CC2)c1	ZINC000600736824	399130213	/nfs/dbraw/zinc/13/02/13/399130213.db2.gz	RKOXKYMSZBRXMK-ZDUSSCGKSA-N	0	3	323.234	2.902	20	30		DFEDHN
C=CCC[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1	ZINC000180036362	399132092	/nfs/dbraw/zinc/13/20/92/399132092.db2.gz	IQTFKZIGGXEMQX-INIZCTEOSA-N	0	3	308.385	2.820	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000181896661	399141719	/nfs/dbraw/zinc/14/17/19/399141719.db2.gz	DYZIPRKSYWSONB-CQSZACIVSA-N	0	3	313.323	2.632	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000182660882	399148515	/nfs/dbraw/zinc/14/85/15/399148515.db2.gz	JDKXMHGVNWNRDQ-UONOGXRCSA-N	0	3	302.422	2.575	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)C#Cc2ccccc2)o1	ZINC000080609834	399162644	/nfs/dbraw/zinc/16/26/44/399162644.db2.gz	INVDWIAOUYBDJT-UHFFFAOYSA-N	0	3	310.397	2.530	20	30		DFEDHN
C#CC[C@@H](NC[C@@H](O)COc1ccccc1F)c1ccccc1	ZINC000271746166	209176848	/nfs/dbraw/zinc/17/68/48/209176848.db2.gz	WMYQJVZJFAVBSI-SJLPKXTDSA-N	0	3	313.372	2.920	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000271739306	209170357	/nfs/dbraw/zinc/17/03/57/209170357.db2.gz	BVKZOUVZKOFISQ-QGZVFWFLSA-N	0	3	323.352	2.779	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(C)no1	ZINC000284925900	335015526	/nfs/dbraw/zinc/01/55/26/335015526.db2.gz	AGYZFBBPESPSNB-HOCLYGCPSA-N	0	3	311.385	2.534	20	30		DFEDHN
C#CCN(C(=O)NC1CCN(C2CC2)CC1)C1CCCCC1	ZINC000062477307	399170399	/nfs/dbraw/zinc/17/03/99/399170399.db2.gz	GEHOQLAZPUGCGQ-UHFFFAOYSA-N	0	3	303.450	2.591	20	30		DFEDHN
CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000596101279	399174221	/nfs/dbraw/zinc/17/42/21/399174221.db2.gz	GDJBUWKSTSIEEJ-ZACQAIPSSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)cc1C#N	ZINC000614205730	399174584	/nfs/dbraw/zinc/17/45/84/399174584.db2.gz	AOWJYIRNSKQHGU-GUYCJALGSA-N	0	3	319.836	2.948	20	30		DFEDHN
C=CCSCCNC(=O)c1cccc(CN2CCCC2)c1	ZINC000194476562	399179051	/nfs/dbraw/zinc/17/90/51/399179051.db2.gz	OWVBRDUGGZKSGS-UHFFFAOYSA-N	0	3	304.459	2.931	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1cc(C#N)ccc1F)N1CCCCC1	ZINC000080791637	399181153	/nfs/dbraw/zinc/18/11/53/399181153.db2.gz	YCYZKLGPALHTTP-QGZVFWFLSA-N	0	3	317.408	2.824	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(Cl)cc1	ZINC000282756847	217228288	/nfs/dbraw/zinc/22/82/88/217228288.db2.gz	BRMRVRAEFMIQER-HNNXBMFYSA-N	0	3	316.792	2.572	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)C(C)C	ZINC000596139403	399188181	/nfs/dbraw/zinc/18/81/81/399188181.db2.gz	TWSNZJJAROUMEG-SJLPKXTDSA-N	0	3	318.465	2.630	20	30		DFEDHN
COc1ccc(CN[C@H](C)COCC(F)(F)F)cc1C#N	ZINC000266212993	205187078	/nfs/dbraw/zinc/18/70/78/205187078.db2.gz	OZNVFXGTIXEVEW-SNVBAGLBSA-N	0	3	302.296	2.624	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3c(C#N)cnn3C)CC2)CC1	ZINC000596154703	399194656	/nfs/dbraw/zinc/19/46/56/399194656.db2.gz	MTZBNOJBOUZHAW-UHFFFAOYSA-N	0	3	315.465	2.629	20	30		DFEDHN
C=CCc1cc(CNC[C@@](C)(O)c2ccco2)cc(OC)c1O	ZINC000266176838	205160463	/nfs/dbraw/zinc/16/04/63/205160463.db2.gz	TYGUQROSUXPAGW-GOSISDBHSA-N	0	3	317.385	2.720	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596152175	399192920	/nfs/dbraw/zinc/19/29/20/399192920.db2.gz	IPQWJOCBFBHCGC-RHSMWYFYSA-N	0	3	309.417	2.757	20	30		DFEDHN
COc1ccc(CNC[C@](C)(O)c2ccsc2)cc1C#N	ZINC000266187501	205168672	/nfs/dbraw/zinc/16/86/72/205168672.db2.gz	XLBDRYIMADDACK-INIZCTEOSA-N	0	3	302.399	2.626	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596158756	399196054	/nfs/dbraw/zinc/19/60/54/399196054.db2.gz	IXOHDFYQUPNJBC-IAGOWNOFSA-N	0	3	321.428	2.955	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000266370065	205298945	/nfs/dbraw/zinc/29/89/45/205298945.db2.gz	BVQWUXUOHAIUKE-HIFRSBDPSA-N	0	3	300.406	2.813	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)N(C)C)cc1	ZINC000601020410	399204603	/nfs/dbraw/zinc/20/46/03/399204603.db2.gz	OQMUDFUBRNKPHY-MRXNPFEDSA-N	0	3	311.429	2.798	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000266476613	205374760	/nfs/dbraw/zinc/37/47/60/205374760.db2.gz	OZQJODZQFUWLDS-HNNXBMFYSA-N	0	3	307.397	2.947	20	30		DFEDHN
Cc1nnc(N2CCN(CC3CCCCC3)CC2)c(C#N)c1C	ZINC000064129146	399216938	/nfs/dbraw/zinc/21/69/38/399216938.db2.gz	VJKOECZHDFZIRK-UHFFFAOYSA-N	0	3	313.449	2.667	20	30		DFEDHN
C#CCCCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000192036273	335022676	/nfs/dbraw/zinc/02/26/76/335022676.db2.gz	LCYVNPXDYBPWPE-GOSISDBHSA-N	0	3	314.429	2.752	20	30		DFEDHN
CC(C)CN1CCN(c2ncc(C#N)c3ccsc32)CC1	ZINC000601100456	399226529	/nfs/dbraw/zinc/22/65/29/399226529.db2.gz	LIPBVCDWSKQFPO-UHFFFAOYSA-N	0	3	300.431	2.946	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000267380510	206025003	/nfs/dbraw/zinc/02/50/03/206025003.db2.gz	LHDBZOSSUUSFJI-CZUORRHYSA-N	0	3	321.852	2.949	20	30		DFEDHN
N#Cc1ccc(NCC2(N3CCSCC3)CCCC2)cn1	ZINC000267407215	206043227	/nfs/dbraw/zinc/04/32/27/206043227.db2.gz	QSVUIAWPFBUACD-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)c1cc(C#N)nc(C2CC2)n1	ZINC000601130331	399235381	/nfs/dbraw/zinc/23/53/81/399235381.db2.gz	SWYLABGARHQANR-UHFFFAOYSA-N	0	3	321.428	2.794	20	30		DFEDHN
N#Cc1ccc(N2CCN([C@@H]3CCc4ccccc43)CC2)nc1	ZINC000614485003	399239137	/nfs/dbraw/zinc/23/91/37/399239137.db2.gz	JRMOXSSCTCSBJE-GOSISDBHSA-N	0	3	304.397	2.763	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN[C@H]2C[C@@H](CO)C2)c1	ZINC000601139714	399239292	/nfs/dbraw/zinc/23/92/92/399239292.db2.gz	IFKJTHFKEIKENT-UWUNEBHHSA-N	0	3	322.408	2.998	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@@H]1CCC[C@@H]1CCO	ZINC000287967436	294871173	/nfs/dbraw/zinc/87/11/73/294871173.db2.gz	ZCTLLIGPZDTQFR-IAQYHMDHSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCOc1ccc(CNCC2(C)OCCCO2)cc1OC	ZINC000192251912	335024396	/nfs/dbraw/zinc/02/43/96/335024396.db2.gz	IQZISQTWKYIMEC-UHFFFAOYSA-N	0	3	307.390	2.503	20	30		DFEDHN
Cc1cc(CNc2cnn(C3CCN(C)CC3)c2)ccc1C#N	ZINC000601149522	399241832	/nfs/dbraw/zinc/24/18/32/399241832.db2.gz	NNNYOMUUBFTFPQ-UHFFFAOYSA-N	0	3	309.417	2.942	20	30		DFEDHN
C(#Cc1ccccc1)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1	ZINC000192138973	335026338	/nfs/dbraw/zinc/02/63/38/335026338.db2.gz	VRPJDYACPOHEQY-QGZVFWFLSA-N	0	3	306.413	2.913	20	30		DFEDHN
C(#Cc1ccccc1)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	ZINC000192138973	335026340	/nfs/dbraw/zinc/02/63/40/335026340.db2.gz	VRPJDYACPOHEQY-QGZVFWFLSA-N	0	3	306.413	2.913	20	30		DFEDHN
Cn1cc(CN[C@@H]2C[C@H]2C(F)(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000601160682	399244169	/nfs/dbraw/zinc/24/41/69/399244169.db2.gz	YQMBURUQRGKXQO-ZIAGYGMSSA-N	0	3	320.318	2.999	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC000618847771	399245183	/nfs/dbraw/zinc/24/51/83/399245183.db2.gz	RBZUJDKHOKZTLG-QGZVFWFLSA-N	0	3	314.433	2.527	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O	ZINC000295739665	296225801	/nfs/dbraw/zinc/22/58/01/296225801.db2.gz	WMPSIDGJGQSPAQ-QILLFSRXSA-N	0	3	319.408	2.900	20	30		DFEDHN
N#Cc1csc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000614660613	399257021	/nfs/dbraw/zinc/25/70/21/399257021.db2.gz	OXYJNACFXRXEAP-KRWDZBQOSA-N	0	3	309.394	2.716	20	30		DFEDHN
C#CCOc1ccc(F)cc1NC(=O)C1CCN(C2CC2)CC1	ZINC000192605529	335033956	/nfs/dbraw/zinc/03/39/56/335033956.db2.gz	BDPNLXLWGLDJHH-UHFFFAOYSA-N	0	3	316.376	2.651	20	30		DFEDHN
C=CCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000286852151	335036973	/nfs/dbraw/zinc/03/69/73/335036973.db2.gz	AOTSIRMSPYYCNU-INIZCTEOSA-N	0	3	305.422	2.562	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000267967947	206365664	/nfs/dbraw/zinc/36/56/64/206365664.db2.gz	VAHKWECWAAWCQL-UHFFFAOYSA-N	0	3	316.401	2.555	20	30		DFEDHN
COc1ccc([C@H](C)[C@@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601314921	399275580	/nfs/dbraw/zinc/27/55/80/399275580.db2.gz	BSJPWSPOWQXPMA-HZPDHXFCSA-N	0	3	301.434	2.718	20	30		DFEDHN
C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)[C@H](c1ccccc1)N(C)C	ZINC000601456615	399291364	/nfs/dbraw/zinc/29/13/64/399291364.db2.gz	QIWFPJIGJWUQFT-GOEBONIOSA-N	0	3	311.429	2.878	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000609163520	399307646	/nfs/dbraw/zinc/30/76/46/399307646.db2.gz	IIMNTYIVDCUWBM-OAHLLOKOSA-N	0	3	324.428	2.769	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2ccccc2n1CC#N	ZINC000609664390	399328957	/nfs/dbraw/zinc/32/89/57/399328957.db2.gz	FLIJXSQNWRXJHO-HNNXBMFYSA-N	0	3	324.428	2.579	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1	ZINC000192937890	335037831	/nfs/dbraw/zinc/03/78/31/335037831.db2.gz	URDDHHMYADGEGA-UHFFFAOYSA-N	0	3	301.365	2.687	20	30		DFEDHN
N#Cc1cnc2c(F)ccc(F)c2c1NCCN1CCCCC1	ZINC000610275080	399352136	/nfs/dbraw/zinc/35/21/36/399352136.db2.gz	ZZFJDCYIYDQQQE-UHFFFAOYSA-N	0	3	316.355	2.704	20	30		DFEDHN
CN1CCC(N(C(=O)c2ccnc(C#N)c2)c2ccccc2)CC1	ZINC000619516879	399356503	/nfs/dbraw/zinc/35/65/03/399356503.db2.gz	GRUPKWQIMGFIID-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
COc1ccc(CN2CCC3(CCOCC3)CC2)cc1C#N	ZINC000284806157	218185127	/nfs/dbraw/zinc/18/51/27/218185127.db2.gz	PYKRAPHVBVJTHY-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
C[S@@](=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CCC1	ZINC000619554533	399361576	/nfs/dbraw/zinc/36/15/76/399361576.db2.gz	RQRRKMBIUIUQCG-HRAATJIYSA-N	0	3	302.443	2.826	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN[C@H]2CCc3ccccc32)cc1	ZINC000619558353	399362368	/nfs/dbraw/zinc/36/23/68/399362368.db2.gz	HQAURRSBMCHMEF-PXNSSMCTSA-N	0	3	322.408	2.769	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000619578206	399364147	/nfs/dbraw/zinc/36/41/47/399364147.db2.gz	CWEMTWOMMKDITA-OAHLLOKOSA-N	0	3	317.458	2.593	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1	ZINC000610408269	399365076	/nfs/dbraw/zinc/36/50/76/399365076.db2.gz	QVCDKIFMAVYMMC-GRDNDAEWSA-N	0	3	314.433	2.743	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000601953234	399367939	/nfs/dbraw/zinc/36/79/39/399367939.db2.gz	DPEXTZFREPGZSK-OALUTQOASA-N	0	3	316.445	2.682	20	30		DFEDHN
Cc1cnn([C@@H]2CCCN(CCOc3ccccc3C#N)C2)c1	ZINC000105901613	194165585	/nfs/dbraw/zinc/16/55/85/194165585.db2.gz	WQBFSKJLQJJJAY-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
CCOc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000615697545	399374640	/nfs/dbraw/zinc/37/46/40/399374640.db2.gz	KAQCLGPQVGNNPI-UONOGXRCSA-N	0	3	315.417	2.687	20	30		DFEDHN
COc1cc(CN2CCC[C@H](c3cnn(C)c3)C2)ccc1C#N	ZINC000619674422	399374857	/nfs/dbraw/zinc/37/48/57/399374857.db2.gz	LPRUDYVLMIRCCN-INIZCTEOSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1c(F)cccc1CNCCc1ccc2c(c1)OCCO2	ZINC000601995590	399378017	/nfs/dbraw/zinc/37/80/17/399378017.db2.gz	GLEAVKYAVDAPTQ-UHFFFAOYSA-N	0	3	312.344	2.801	20	30		DFEDHN
CC(C)(C(=O)NCCN1CCCCC1)c1cc(F)cc(C#N)c1	ZINC000285066449	218277197	/nfs/dbraw/zinc/27/71/97/218277197.db2.gz	GSTLAHDPOPYWAB-UHFFFAOYSA-N	0	3	317.408	2.577	20	30		DFEDHN
CN(C)[C@H](CNCc1cccc(F)c1C#N)Cc1ccccc1	ZINC000602000512	399379955	/nfs/dbraw/zinc/37/99/55/399379955.db2.gz	ZRFJDYNMKMQFMD-KRWDZBQOSA-N	0	3	311.404	2.960	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)ccn1	ZINC000619722858	399383273	/nfs/dbraw/zinc/38/32/73/399383273.db2.gz	GJFZSMHTMIIHKO-MRXNPFEDSA-N	0	3	321.428	2.866	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1CCOc1ccc(C#N)cc1	ZINC000610583002	399383390	/nfs/dbraw/zinc/38/33/90/399383390.db2.gz	KKJYQHZKLLDJSU-QZTJIDSGSA-N	0	3	313.445	2.886	20	30		DFEDHN
C=CCSCCNC(=O)N1C[C@H]2CCCCN2C[C@@H]1CC	ZINC000610586057	399384000	/nfs/dbraw/zinc/38/40/00/399384000.db2.gz	JPNULQKHSSXSFN-LSDHHAIUSA-N	0	3	311.495	2.564	20	30		DFEDHN
COC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)n1C	ZINC000602027934	399387446	/nfs/dbraw/zinc/38/74/46/399387446.db2.gz	JOPQHGVPERBLMR-UHFFFAOYSA-N	0	3	323.396	2.852	20	30		DFEDHN
CCCCN(C)CCNC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619759680	399388432	/nfs/dbraw/zinc/38/84/32/399388432.db2.gz	XMKAOEMAZSKCPP-UHFFFAOYSA-N	0	3	322.840	2.743	20	30		DFEDHN
C[C@H](CNC(=O)c1sccc1C#N)N(C)Cc1ccccc1	ZINC000110352972	194325098	/nfs/dbraw/zinc/32/50/98/194325098.db2.gz	PCNGOONCEDCWDF-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
C[C@@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)C(C)(C)C	ZINC000619844439	399395886	/nfs/dbraw/zinc/39/58/86/399395886.db2.gz	RCZOEMIBMPEIHR-UONOGXRCSA-N	0	3	301.438	2.541	20	30		DFEDHN
CC(C#N)C(=O)NCCCCc1nc(-c2ccccn2)cs1	ZINC000602179883	399406660	/nfs/dbraw/zinc/40/66/60/399406660.db2.gz	SRVPFALPXOZUOA-LBPRGKRZSA-N	0	3	314.414	2.804	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000610877525	399415173	/nfs/dbraw/zinc/41/51/73/399415173.db2.gz	LVVQCZDJCFLUKM-QMTHXVAHSA-N	0	3	306.797	2.673	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC23CC3)CC1	ZINC000623579234	399421214	/nfs/dbraw/zinc/42/12/14/399421214.db2.gz	SIFMQXYZJIWPEN-HNNXBMFYSA-N	0	3	305.466	2.906	20	30		DFEDHN
C[C@H](CCN1CCN(CCC#N)CC1)OCc1ccccc1	ZINC000616111253	399422531	/nfs/dbraw/zinc/42/25/31/399422531.db2.gz	AXRKTTAPZHYTOW-QGZVFWFLSA-N	0	3	301.434	2.513	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCN(Cc3ccnc(C#N)c3)C2)c1	ZINC000610992871	399425742	/nfs/dbraw/zinc/42/57/42/399425742.db2.gz	PEHRCUAYWKNOLH-INIZCTEOSA-N	0	3	307.401	2.591	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1	ZINC000623634864	399432731	/nfs/dbraw/zinc/43/27/31/399432731.db2.gz	CDKDNMIZSQYNMA-CHWSQXEVSA-N	0	3	315.408	2.570	20	30		DFEDHN
CO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CCOCC1	ZINC000602439379	399444431	/nfs/dbraw/zinc/44/44/31/399444431.db2.gz	DBWCTVUUDWZUQR-LJQANCHMSA-N	0	3	314.429	2.964	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(CCOc2ccccc2)CC1	ZINC000602432520	399442442	/nfs/dbraw/zinc/44/24/42/399442442.db2.gz	MQJLBLRDQPTIFO-KRWDZBQOSA-N	0	3	301.434	2.623	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)Cc1cccn(C(F)F)c1=O	ZINC000602439890	399444788	/nfs/dbraw/zinc/44/47/88/399444788.db2.gz	QISXMLSNGSRQOE-UHFFFAOYSA-N	0	3	303.312	2.747	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)Cc1cccn(C(F)F)c1=O	ZINC000602439946	399445544	/nfs/dbraw/zinc/44/55/44/399445544.db2.gz	HVRGOSZVLXWMRY-UHFFFAOYSA-N	0	3	303.312	2.747	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1COc2ccccc2O1	ZINC000602502019	399461936	/nfs/dbraw/zinc/46/19/36/399461936.db2.gz	JPGGKFYOAIJKLR-CABCVRRESA-N	0	3	316.401	2.515	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1COc2ccccc2O1	ZINC000602502021	399462060	/nfs/dbraw/zinc/46/20/60/399462060.db2.gz	JPGGKFYOAIJKLR-HUUCEWRRSA-N	0	3	316.401	2.515	20	30		DFEDHN
COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1OC	ZINC000602505924	399463438	/nfs/dbraw/zinc/46/34/38/399463438.db2.gz	PTXHINOTGJPWKT-CQSZACIVSA-N	0	3	318.417	2.892	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2CCN(C)[C@@H](C)[C@@H]2C)c1C#N	ZINC000611349371	399464678	/nfs/dbraw/zinc/46/46/78/399464678.db2.gz	FVFQMTWRYAUSNX-HOTGVXAUSA-N	0	3	323.444	2.577	20	30		DFEDHN
C=CC[C@H]1CC[C@H](NCC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000623779884	399464763	/nfs/dbraw/zinc/46/47/63/399464763.db2.gz	SWISNYPDPXJBTG-KBPBESRZSA-N	0	3	316.401	2.731	20	30		DFEDHN
C[C@H](NCCN1C(=O)c2ccccc2C1=O)c1cccc(C#N)c1	ZINC000611387169	399468686	/nfs/dbraw/zinc/46/86/86/399468686.db2.gz	FZNNJDLFVXWAMV-ZDUSSCGKSA-N	0	3	319.364	2.505	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1	ZINC000287668379	335046574	/nfs/dbraw/zinc/04/65/74/335046574.db2.gz	VRQJZWGJZCZYLH-DLBZAZTESA-N	0	3	323.458	2.697	20	30		DFEDHN
C=C(C)CNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000287411216	335045925	/nfs/dbraw/zinc/04/59/25/335045925.db2.gz	ZJYFRWVMCYJFCB-IBGZPJMESA-N	0	3	313.445	2.870	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@@H](NCc1cccc(C#N)n1)C2	ZINC000602527396	399467980	/nfs/dbraw/zinc/46/79/80/399467980.db2.gz	QGXDWNFDVFFGOE-OAHLLOKOSA-N	0	3	309.417	2.552	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CNC2(c3ccccc3)CC2)cc1	ZINC000611385905	399468042	/nfs/dbraw/zinc/46/80/42/399468042.db2.gz	NSKWTCOWQLNKTH-GOSISDBHSA-N	0	3	322.408	2.771	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCNC(=O)c1ccccc1	ZINC000611392190	399469716	/nfs/dbraw/zinc/46/97/16/399469716.db2.gz	JJZKEJYMYUZAOH-LJQANCHMSA-N	0	3	319.408	2.955	20	30		DFEDHN
COc1cccc(N2CCC[C@H](NCc3cccc(C#N)n3)C2)c1	ZINC000602552548	399473764	/nfs/dbraw/zinc/47/37/64/399473764.db2.gz	UUBAYMIGRVYQNL-KRWDZBQOSA-N	0	3	322.412	2.720	20	30		DFEDHN
COc1ccc(C[C@H](C)NCc2cccc(C#N)n2)cc1OC	ZINC000602548265	399473311	/nfs/dbraw/zinc/47/33/11/399473311.db2.gz	DBMYCUXJBHVZSO-ZDUSSCGKSA-N	0	3	311.385	2.691	20	30		DFEDHN
CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)[C@@H](N)CCCC#N	ZINC000602555562	399474490	/nfs/dbraw/zinc/47/44/90/399474490.db2.gz	IUAXYPDWAYZNAE-CVEARBPZSA-N	0	3	317.408	2.941	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000602556892	399474574	/nfs/dbraw/zinc/47/45/74/399474574.db2.gz	XFGMLHBWTROMAL-SWLSCSKDSA-N	0	3	305.809	2.975	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(C#N)cc1	ZINC000602560279	399475645	/nfs/dbraw/zinc/47/56/45/399475645.db2.gz	ZDEYMONZWPPJDU-OAHLLOKOSA-N	0	3	313.401	2.626	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1Cl	ZINC000611489909	399481226	/nfs/dbraw/zinc/48/12/26/399481226.db2.gz	AYOKNNJBUMWNJD-OAHLLOKOSA-N	0	3	317.820	2.912	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@H]1CN(C)Cc2ccccc21	ZINC000602582315	399482121	/nfs/dbraw/zinc/48/21/21/399482121.db2.gz	WAFSQHAQJWZDGG-QAPCUYQASA-N	0	3	313.445	2.862	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21	ZINC000602583476	399483059	/nfs/dbraw/zinc/48/30/59/399483059.db2.gz	XNYRJQPBYUQHMM-HUUCEWRRSA-N	0	3	305.809	2.855	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CCNC1	ZINC000602586489	399483709	/nfs/dbraw/zinc/48/37/09/399483709.db2.gz	RSTAUVMOGHZJRV-UXHICEINSA-N	0	3	323.440	2.575	20	30		DFEDHN
C[C@H](CCC#N)CNCc1nnc2n1CCC[C@@H]2C(F)(F)F	ZINC000602607065	399488969	/nfs/dbraw/zinc/48/89/69/399488969.db2.gz	REJIUPXNNSYKRZ-MNOVXSKESA-N	0	3	315.343	2.747	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(C#N)n1	ZINC000602619675	399492700	/nfs/dbraw/zinc/49/27/00/399492700.db2.gz	ZLJUPYZNKQKSNL-KXBFYZLASA-N	0	3	306.413	2.563	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(C#N)n1	ZINC000602619674	399492771	/nfs/dbraw/zinc/49/27/71/399492771.db2.gz	ZLJUPYZNKQKSNL-HNAYVOBHSA-N	0	3	306.413	2.563	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNCc1cccc(C#N)n1)C1CC1	ZINC000602623678	399493880	/nfs/dbraw/zinc/49/38/80/399493880.db2.gz	YUYILTLMJFOVIQ-HXUWFJFHSA-N	0	3	320.440	2.953	20	30		DFEDHN
C=CCOc1ccc(CNCc2cc(C(=O)OC)c(C)[nH]2)cc1	ZINC000602651226	399502879	/nfs/dbraw/zinc/50/28/79/399502879.db2.gz	RTEUIPAYOXXWAT-UHFFFAOYSA-N	0	3	314.385	2.964	20	30		DFEDHN
CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000602659430	399505259	/nfs/dbraw/zinc/50/52/59/399505259.db2.gz	PZBFDKMYKMJHMR-INIZCTEOSA-N	0	3	308.809	2.743	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)Cc1cccc(C#N)n1	ZINC000602663846	399508333	/nfs/dbraw/zinc/50/83/33/399508333.db2.gz	UDRKNNQHZWGQHU-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
CCCC(O)(CCC)CNCc1cnc2ccc(C#N)cn12	ZINC000119716208	195024993	/nfs/dbraw/zinc/02/49/93/195024993.db2.gz	LJMAHTJZDOOPAQ-UHFFFAOYSA-N	0	3	300.406	2.627	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc([S@@](C)=O)cc1	ZINC000602672641	399514906	/nfs/dbraw/zinc/51/49/06/399514906.db2.gz	ZDYIIQDBCBXYCM-JLCFBVMHSA-N	0	3	320.458	2.613	20	30		DFEDHN
C=CC(C)(C)CCNS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000625327168	399522852	/nfs/dbraw/zinc/52/28/52/399522852.db2.gz	DRVJEDAXOFLVQS-UHFFFAOYSA-N	0	3	310.463	2.629	20	30		DFEDHN
CC1(C)Oc2ccsc2[C@@H](NC2CCC(C#N)CC2)[C@@H]1O	ZINC000602692123	399523214	/nfs/dbraw/zinc/52/32/14/399523214.db2.gz	UIGKYTOYINYPCT-CHYWNLSLSA-N	0	3	306.431	2.993	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)OCC	ZINC000270106161	208164210	/nfs/dbraw/zinc/16/42/10/208164210.db2.gz	HZWJAICFBOFZPG-ZWKOTPCHSA-N	0	3	316.445	2.748	20	30		DFEDHN
C#CCCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000287825897	335048382	/nfs/dbraw/zinc/04/83/82/335048382.db2.gz	BEDZBSHVCCPABE-DOTOQJQBSA-N	0	3	301.434	2.781	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)OCC	ZINC000270147820	208207190	/nfs/dbraw/zinc/20/71/90/208207190.db2.gz	UTPZZXDYGHGZQI-IRXDYDNUSA-N	0	3	304.434	2.777	20	30		DFEDHN
C[C@H](NC1(c2ccc(C#N)cc2)CCC1)C(C)(C)n1cncn1	ZINC000602711825	399533796	/nfs/dbraw/zinc/53/37/96/399533796.db2.gz	RIQMHDDURFHCPS-AWEZNQCLSA-N	0	3	309.417	2.942	20	30		DFEDHN
Cc1cccc2c1C[C@H](N[C@H](C)CC1(C#N)CCOCC1)CO2	ZINC000602720706	399538945	/nfs/dbraw/zinc/53/89/45/399538945.db2.gz	MBEQGCKTFTVXDV-CVEARBPZSA-N	0	3	314.429	2.987	20	30		DFEDHN
Cc1cc(C#N)nc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000288611440	220286310	/nfs/dbraw/zinc/28/63/10/220286310.db2.gz	ZLYFZNHACADLFL-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCOC(=O)C1CCC(NCc2cccc(F)c2C#N)CC1	ZINC000602752708	399556007	/nfs/dbraw/zinc/55/60/07/399556007.db2.gz	ZZUPTGYSFAABKR-UHFFFAOYSA-N	0	3	304.365	2.909	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000158690668	197294969	/nfs/dbraw/zinc/29/49/69/197294969.db2.gz	TXTQAHVYFVXIHC-GOSISDBHSA-N	0	3	313.445	2.926	20	30		DFEDHN
CCN(C[C@H](O)C[C@](C)(O)C1CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000602762297	399559751	/nfs/dbraw/zinc/55/97/51/399559751.db2.gz	FMUOEXIZCOLIQN-ZMYBRWDISA-N	0	3	316.445	2.853	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000120253865	195127677	/nfs/dbraw/zinc/12/76/77/195127677.db2.gz	PAPFWZAVMAQMBB-CQSZACIVSA-N	0	3	313.430	2.511	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288081756	335049531	/nfs/dbraw/zinc/04/95/31/335049531.db2.gz	FZYWVGKFYNXEAE-LZLYRXPVSA-N	0	3	316.445	2.747	20	30		DFEDHN
N#Cc1cccc(OC2CCN(Cc3cc[nH]c(=O)c3)CC2)c1	ZINC000602771317	399564794	/nfs/dbraw/zinc/56/47/94/399564794.db2.gz	CJSSOHWJYYYSGY-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000158180285	197250176	/nfs/dbraw/zinc/25/01/76/197250176.db2.gz	GNVSTBOGIVJMNF-LLVKDONJSA-N	0	3	323.824	2.631	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000287940248	335050327	/nfs/dbraw/zinc/05/03/27/335050327.db2.gz	KJWWLSRSWHHQPS-KRWDZBQOSA-N	0	3	319.449	2.904	20	30		DFEDHN
C=C(CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccccc1	ZINC000287945654	335050375	/nfs/dbraw/zinc/05/03/75/335050375.db2.gz	GHSCBNGVGPDPPI-MSOLQXFVSA-N	0	3	313.445	2.826	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1Cl	ZINC000193691860	335051931	/nfs/dbraw/zinc/05/19/31/335051931.db2.gz	CPGDSGJETIQCMF-ABAIWWIYSA-N	0	3	308.809	2.519	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccsc1	ZINC000157687139	197207496	/nfs/dbraw/zinc/20/74/96/197207496.db2.gz	XVXZJWVQGXNTTF-OAHLLOKOSA-N	0	3	316.430	2.761	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCC1	ZINC000612094546	399579705	/nfs/dbraw/zinc/57/97/05/399579705.db2.gz	JYBOWPHFSUNLII-KRWDZBQOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1(N(C)C)CC1	ZINC000602806988	399582317	/nfs/dbraw/zinc/58/23/17/399582317.db2.gz	GSWPJXXQVRUHIZ-UHFFFAOYSA-N	0	3	316.405	2.561	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H]3COc4ccccc4O3)CC2)c1	ZINC000602808796	399583399	/nfs/dbraw/zinc/58/33/99/399583399.db2.gz	ZNBHOVURCQCSFW-MRXNPFEDSA-N	0	3	306.365	2.977	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1nn(C)cc1Cl)C(C)C	ZINC000625558019	399586154	/nfs/dbraw/zinc/58/61/54/399586154.db2.gz	SCBFHFURJZDMEN-CQSZACIVSA-N	0	3	324.856	2.502	20	30		DFEDHN
N#CC1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000157169376	197167431	/nfs/dbraw/zinc/16/74/31/197167431.db2.gz	UEQCXKKWIMWNJM-HNNXBMFYSA-N	0	3	312.335	2.844	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCCC(=O)N[C@H](C)CC)cc1	ZINC000156524034	197120335	/nfs/dbraw/zinc/12/03/35/197120335.db2.gz	DCQPFVMEEGBDST-CABCVRRESA-N	0	3	302.418	2.654	20	30		DFEDHN
C[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1n1ccnc1	ZINC000156443052	197113863	/nfs/dbraw/zinc/11/38/63/197113863.db2.gz	YLWJBFCTVPFFPZ-YJBOKZPZSA-N	0	3	310.401	2.717	20	30		DFEDHN
Cn1cc(C2CCN(CCCOc3cccc(C#N)c3)CC2)cn1	ZINC000155962411	197077653	/nfs/dbraw/zinc/07/76/53/197077653.db2.gz	PMJXVJMBJJBPEQ-UHFFFAOYSA-N	0	3	324.428	2.940	20	30		DFEDHN
Cc1cc(-n2ccnc2)ccc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602855480	399605328	/nfs/dbraw/zinc/60/53/28/399605328.db2.gz	VKGXWPYVOFPPPB-CALCHBBNSA-N	0	3	323.444	2.599	20	30		DFEDHN
Cc1ccc(OCCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1C	ZINC000602855889	399604838	/nfs/dbraw/zinc/60/48/38/399604838.db2.gz	JIEYCVSRPPSILT-HDICACEKSA-N	0	3	315.461	2.991	20	30		DFEDHN
N#CC1(CCN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CCCCC1	ZINC000602858793	399605886	/nfs/dbraw/zinc/60/58/86/399605886.db2.gz	BTYCUOTWBXOSQL-CYBMUJFWSA-N	0	3	316.405	2.541	20	30		DFEDHN
CN1CCN(CCOc2ccccc2C#N)C[C@@H]1C(C)(C)C	ZINC000602874103	399611241	/nfs/dbraw/zinc/61/12/41/399611241.db2.gz	NGBMFMXYRARVTM-QGZVFWFLSA-N	0	3	301.434	2.599	20	30		DFEDHN
Cn1ccnc1[C@@H](NCCCCC(C)(C)C#N)C(C)(C)CO	ZINC000602883354	399614989	/nfs/dbraw/zinc/61/49/89/399614989.db2.gz	SVZVWAWXYHIETR-CQSZACIVSA-N	0	3	306.454	2.789	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2cccc(OCC)c2)C1	ZINC000625699930	399615999	/nfs/dbraw/zinc/61/59/99/399615999.db2.gz	FCDSNVWQQVRGJZ-OAHLLOKOSA-N	0	3	302.418	2.600	20	30		DFEDHN
Cc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C#N	ZINC000602891797	399617421	/nfs/dbraw/zinc/61/74/21/399617421.db2.gz	PFXWGWUXNBMEDD-ROUUACIJSA-N	0	3	314.429	2.667	20	30		DFEDHN
CCn1nccc1CCN1CCC(Nc2ccccc2C#N)CC1	ZINC000602893746	399618597	/nfs/dbraw/zinc/61/85/97/399618597.db2.gz	FXINLNZYWVBPJA-UHFFFAOYSA-N	0	3	323.444	2.894	20	30		DFEDHN
CCC(CC)(CNCc1cc(C#N)ccc1OC)C(=O)OC	ZINC000120906161	195262030	/nfs/dbraw/zinc/26/20/30/195262030.db2.gz	WLPAGMRBOJNADJ-UHFFFAOYSA-N	0	3	304.390	2.636	20	30		DFEDHN
CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc(C#N)cc1	ZINC000602905186	399622125	/nfs/dbraw/zinc/62/21/25/399622125.db2.gz	CLSJBBXTZWGFIF-GOSISDBHSA-N	0	3	313.445	2.633	20	30		DFEDHN
CN(C)C[C@H]1COC2(CCCC2)CN1Cc1ccccc1C#N	ZINC000602905711	399622392	/nfs/dbraw/zinc/62/23/92/399622392.db2.gz	GNZPORDUQSVWHO-SFHVURJKSA-N	0	3	313.445	2.633	20	30		DFEDHN
CC[C@@](C)(NCCC(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000602923859	399629095	/nfs/dbraw/zinc/62/90/95/399629095.db2.gz	KGCSFRPPMUHQOP-QGZVFWFLSA-N	0	3	305.397	2.803	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	ZINC000625747995	399630793	/nfs/dbraw/zinc/63/07/93/399630793.db2.gz	XAUBSYHVGIQYRN-UMVBOHGHSA-N	0	3	315.335	2.838	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1	ZINC000289767855	221213068	/nfs/dbraw/zinc/21/30/68/221213068.db2.gz	ZORIYTSKJLBSDU-FGTMMUONSA-N	0	3	312.413	2.625	20	30		DFEDHN
C#Cc1ccc(CNC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1	ZINC000289350806	335058261	/nfs/dbraw/zinc/05/82/61/335058261.db2.gz	XJKBCMSGUIQDBL-IBGZPJMESA-N	0	3	324.424	2.732	20	30		DFEDHN
CN(CCc1nc(-c2ccccc2)no1)Cc1cc(C#N)n(C)c1	ZINC000289926406	221322874	/nfs/dbraw/zinc/32/28/74/221322874.db2.gz	XQWUMOLLELBPME-UHFFFAOYSA-N	0	3	321.384	2.621	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(Oc2ccccc2F)CC1	ZINC000602949119	399636659	/nfs/dbraw/zinc/63/66/59/399636659.db2.gz	UZUVMLZSOMWIPL-CQSZACIVSA-N	0	3	320.408	2.970	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1C#N	ZINC000602997193	399654771	/nfs/dbraw/zinc/65/47/71/399654771.db2.gz	FPDNUCKFUGJLCC-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603067487	399670330	/nfs/dbraw/zinc/67/03/30/399670330.db2.gz	UUOAIRWFYLIMJR-CQSZACIVSA-N	0	3	304.369	2.692	20	30		DFEDHN
N#CCN1CCC(N[C@@H](c2ccc(F)cc2)c2cccnc2)CC1	ZINC000612409707	399646029	/nfs/dbraw/zinc/64/60/29/399646029.db2.gz	PCBIGQJVTNXVLK-IBGZPJMESA-N	0	3	324.403	2.888	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1	ZINC000625801666	399648803	/nfs/dbraw/zinc/64/88/03/399648803.db2.gz	WAOYBKURBGPNIB-HNAYVOBHSA-N	0	3	315.413	2.814	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N2CCC(N3CC=CC3)CC2)c1	ZINC000603073095	399673108	/nfs/dbraw/zinc/67/31/08/399673108.db2.gz	MQGAAMDQQZQOPJ-UHFFFAOYSA-N	0	3	314.364	2.565	20	30		DFEDHN
N#CC1(CCN2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCCCC1	ZINC000602988200	399650558	/nfs/dbraw/zinc/65/05/58/399650558.db2.gz	BMNIGZWVCIBGKJ-QWHCGFSZSA-N	0	3	304.356	2.953	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1	ZINC000625900161	399679678	/nfs/dbraw/zinc/67/96/78/399679678.db2.gz	MBKKQEPMDHHMSJ-RHSMWYFYSA-N	0	3	315.417	2.777	20	30		DFEDHN
N#CCCCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145189	399695268	/nfs/dbraw/zinc/69/52/68/399695268.db2.gz	NPNBUXLXBGZBMT-KGLIPLIRSA-N	0	3	300.324	2.804	20	30		DFEDHN
C#C[C@@H](NCc1ccc(OC(=O)C2CC2)c(OC)c1)C(C)C	ZINC000289120342	335060362	/nfs/dbraw/zinc/06/03/62/335060362.db2.gz	DMVMBYXHSQGPAX-OAHLLOKOSA-N	0	3	301.386	2.758	20	30		DFEDHN
C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1	ZINC000295160522	224479205	/nfs/dbraw/zinc/47/92/05/224479205.db2.gz	SCWZSUQJGJEKPA-LBPRGKRZSA-N	0	3	307.394	2.934	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21	ZINC000612829071	399732611	/nfs/dbraw/zinc/73/26/11/399732611.db2.gz	MAWYPQXIWMBCRK-RCCFBDPRSA-N	0	3	300.402	2.719	20	30		DFEDHN
Cn1ccnc1CC1CCN(Cc2ccc(C#N)s2)CC1	ZINC000121795341	195348772	/nfs/dbraw/zinc/34/87/72/195348772.db2.gz	IPGKOXWKWMYTMO-UHFFFAOYSA-N	0	3	300.431	2.808	20	30		DFEDHN
CC(=O)c1ccc2c(c1)CCN(C[C@@H](O)CC(C)(C)C#N)CC2	ZINC000621269873	399739194	/nfs/dbraw/zinc/73/91/94/399739194.db2.gz	GWLAFEAEBLBFEG-SFHVURJKSA-N	0	3	314.429	2.591	20	30		DFEDHN
C[C@]12CCCC[C@H]1CN2CC#CCN1C(=O)c2ccccc2C1=O	ZINC000626103288	399753727	/nfs/dbraw/zinc/75/37/27/399753727.db2.gz	SMZXUUFZKCFJCF-YWZLYKJASA-N	0	3	322.408	2.551	20	30		DFEDHN
N#CC(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2[nH]1	ZINC000125577005	542601925	/nfs/dbraw/zinc/60/19/25/542601925.db2.gz	KGSIQAZVBDFNJM-LLVKDONJSA-N	0	3	305.341	2.586	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000624783965	399776450	/nfs/dbraw/zinc/77/64/50/399776450.db2.gz	CPBPGWNSNFESCT-BBWFWOEESA-N	0	3	303.450	2.896	20	30		DFEDHN
C=C(C)[C@H](NC[C@@H](O)CN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000289573375	335064670	/nfs/dbraw/zinc/06/46/70/335064670.db2.gz	QQTLFNLWQQDHJR-PBHICJAKSA-N	0	3	310.388	2.627	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000147001348	542661486	/nfs/dbraw/zinc/66/14/86/542661486.db2.gz	HGWONRZARCBGLA-SFHVURJKSA-N	0	3	316.445	2.532	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)c1	ZINC000603589787	399792337	/nfs/dbraw/zinc/79/23/37/399792337.db2.gz	CJZWEMOZQJGLMG-UHFFFAOYSA-N	0	3	309.369	2.881	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1	ZINC000289812936	335065659	/nfs/dbraw/zinc/06/56/59/335065659.db2.gz	LTBDTMXNXSMZOY-AWEZNQCLSA-N	0	3	319.426	2.972	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1	ZINC000617783821	399798930	/nfs/dbraw/zinc/79/89/30/399798930.db2.gz	HOWJUAGIQARERC-KRWDZBQOSA-N	0	3	320.477	2.836	20	30		DFEDHN
Cc1cnc([C@@H](C)NC(=O)N2CCN(C3CCCC3)CC2)o1	ZINC000329269816	543102001	/nfs/dbraw/zinc/10/20/01/543102001.db2.gz	HCMHXQYXYKQKNO-CYBMUJFWSA-N	0	3	306.410	2.518	20	30		DFEDHN
CCCCOc1ccccc1CNC1CCN(CC#N)CC1	ZINC000613333450	399851107	/nfs/dbraw/zinc/85/11/07/399851107.db2.gz	WRFSXWRABCSGMC-UHFFFAOYSA-N	0	3	301.434	2.943	20	30		DFEDHN
CC#CCCCC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000617975745	399854782	/nfs/dbraw/zinc/85/47/82/399854782.db2.gz	BNQVBXSXXZXYGX-UHFFFAOYSA-N	0	3	313.445	2.603	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(CCc3cccnc3)CC2)cc1	ZINC000172072301	145289533	/nfs/dbraw/zinc/28/95/33/145289533.db2.gz	WRHLYTXMGJRWKU-UHFFFAOYSA-N	0	3	320.440	2.704	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000172416791	145302647	/nfs/dbraw/zinc/30/26/47/145302647.db2.gz	WCDMCDNZYARYMZ-UHFFFAOYSA-N	0	3	303.431	2.710	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000174403782	145379336	/nfs/dbraw/zinc/37/93/36/145379336.db2.gz	UDPUFMQHGYSAJA-KSSFIOAISA-N	0	3	310.401	2.546	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1cn(C[C@@H]2CCOC2)nn1	ZINC000631170410	399995080	/nfs/dbraw/zinc/99/50/80/399995080.db2.gz	BASMQJRISZOXDU-ZMSDIMECSA-N	0	3	304.438	2.539	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H]2C[C@@H](CO)C2)cc1OC	ZINC000631201272	400002403	/nfs/dbraw/zinc/00/24/03/400002403.db2.gz	ZLVHOMPHTSKMST-BETUJISGSA-N	0	3	311.809	2.774	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)c1cnn(CCN(C)C)c1	ZINC000631252502	400013126	/nfs/dbraw/zinc/01/31/26/400013126.db2.gz	ZDMFWEWGRKAOEE-UHFFFAOYSA-N	0	3	318.465	2.653	20	30		DFEDHN
CN(CCCOc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N	ZINC000424092457	543342366	/nfs/dbraw/zinc/34/23/66/543342366.db2.gz	PELFJUNARFQQQZ-HNNXBMFYSA-N	0	3	323.824	2.588	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443505837	543357279	/nfs/dbraw/zinc/35/72/79/543357279.db2.gz	ATXQYDANJPMUGC-LLVKDONJSA-N	0	3	312.339	2.750	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCS[C@H]3COCC[C@H]32)c1	ZINC000246592656	146144946	/nfs/dbraw/zinc/14/49/46/146144946.db2.gz	CSZXISAHDXTKRO-SJORKVTESA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@H](Cc1ccccc1)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000361164178	149043385	/nfs/dbraw/zinc/04/33/85/149043385.db2.gz	DRTTYAIRDHLCCP-QGZVFWFLSA-N	0	3	320.440	2.954	20	30		DFEDHN
Cc1cc(CN(C)[C@@H](CC(N)=O)c2ccccc2)ccc1C#N	ZINC000361467546	149123439	/nfs/dbraw/zinc/12/34/39/149123439.db2.gz	CQYILFWMAMABHR-SFHVURJKSA-N	0	3	307.397	2.915	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000361500861	149132908	/nfs/dbraw/zinc/13/29/08/149132908.db2.gz	JUNFPQVVSFWUJX-SFHVURJKSA-N	0	3	308.429	2.603	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1CCN(C)C	ZINC000667152225	543554847	/nfs/dbraw/zinc/55/48/47/543554847.db2.gz	HRDBBHQCYIMMLV-GJZGRUSLSA-N	0	3	319.453	2.701	20	30		DFEDHN
CCC(CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000361784930	149218933	/nfs/dbraw/zinc/21/89/33/149218933.db2.gz	DAPFFLMTAPJSGG-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000361841307	149235004	/nfs/dbraw/zinc/23/50/04/149235004.db2.gz	CUIPMHBNVAWOKL-LJQANCHMSA-N	0	3	322.408	2.665	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](c2ccnn2C)C1	ZINC000362053977	149286140	/nfs/dbraw/zinc/28/61/40/149286140.db2.gz	RSVITTHTKXZQID-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1ccc2ncc(CN(CCO)CC3CCCCC3)n2c1	ZINC000362529294	149297906	/nfs/dbraw/zinc/29/79/06/149297906.db2.gz	RDSFARFXKBSHHU-UHFFFAOYSA-N	0	3	312.417	2.581	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1	ZINC000362905015	149393759	/nfs/dbraw/zinc/39/37/59/149393759.db2.gz	QAKCQIVCQOHNPT-AWEZNQCLSA-N	0	3	313.426	2.522	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)o1	ZINC000371800182	150097622	/nfs/dbraw/zinc/09/76/22/150097622.db2.gz	ZNSPZDYJTSYQEQ-HNNXBMFYSA-N	0	3	306.369	2.782	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@H](C2CCOCC2)C1	ZINC000372213440	150150338	/nfs/dbraw/zinc/15/03/38/150150338.db2.gz	WGPBZIJAAMSQIV-INIZCTEOSA-N	0	3	300.402	2.815	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1	ZINC000372855867	150193263	/nfs/dbraw/zinc/19/32/63/150193263.db2.gz	HHTSDCHYJQAAJJ-RBUKOAKNSA-N	0	3	319.408	2.694	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1C#N	ZINC000373104256	150231839	/nfs/dbraw/zinc/23/18/39/150231839.db2.gz	NCFQIYGALAIBOV-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
Cc1nnc2n1C[C@@H](N[C@H](C)c1ccc(C#N)cc1Cl)CC2	ZINC000373898711	150274559	/nfs/dbraw/zinc/27/45/59/150274559.db2.gz	QXQSDCCWYIHYNL-MFKMUULPSA-N	0	3	315.808	2.777	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000373903562	150276166	/nfs/dbraw/zinc/27/61/66/150276166.db2.gz	LFRABROCKDFNNA-AWEZNQCLSA-N	0	3	301.390	2.550	20	30		DFEDHN
C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CCN(Cc2ccccc2)C1	ZINC000374162701	150315466	/nfs/dbraw/zinc/31/54/66/150315466.db2.gz	NNTKBACYGCCRHF-LJQANCHMSA-N	0	3	322.412	2.528	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)o2)N(C)C)cc1	ZINC000429826770	296760563	/nfs/dbraw/zinc/76/05/63/296760563.db2.gz	PQIZQZWOWOJHIK-MRXNPFEDSA-N	0	3	311.385	2.746	20	30		DFEDHN
C[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1n1ccnc1	ZINC000247740696	158150090	/nfs/dbraw/zinc/15/00/90/158150090.db2.gz	VYVAYGXHHDRVIP-CRAIPNDOSA-N	0	3	310.401	2.717	20	30		DFEDHN
CCN(CCC1CC1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000355066723	158264723	/nfs/dbraw/zinc/26/47/23/158264723.db2.gz	VIZOIYVJOPEYRT-CQSZACIVSA-N	0	3	303.431	2.847	20	30		DFEDHN
N#Cc1cccc(N2CCN(CCCc3cccc(F)c3)CC2)n1	ZINC000355076574	158267825	/nfs/dbraw/zinc/26/78/25/158267825.db2.gz	DHRTUYNYEYIXBR-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(-c3ccc(C#N)[nH]3)n2)c1	ZINC000356558202	158303485	/nfs/dbraw/zinc/30/34/85/158303485.db2.gz	BQFWVDJXJJQKPK-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
C[C@H](NCCCOC[C@H]1CCOC1)c1ccc(C#N)cc1F	ZINC000358594732	158392556	/nfs/dbraw/zinc/39/25/56/158392556.db2.gz	TVTRNUAADNMXLS-DZGCQCFKSA-N	0	3	306.381	2.791	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1	ZINC000131962389	196214428	/nfs/dbraw/zinc/21/44/28/196214428.db2.gz	POBDWYNLDHQRFE-RTBURBONSA-N	0	3	307.397	2.606	20	30		DFEDHN
CN1CC[C@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1	ZINC000132721377	196278284	/nfs/dbraw/zinc/27/82/84/196278284.db2.gz	MZBXYCQMQBNTAT-IRXDYDNUSA-N	0	3	317.339	2.964	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(Cc2ccccc2)CC1	ZINC000134173910	196367741	/nfs/dbraw/zinc/36/77/41/196367741.db2.gz	AOZUFSSRQZUBKR-UHFFFAOYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@H](O)c1ccc(C#N)cc1	ZINC000134243090	196374143	/nfs/dbraw/zinc/37/41/43/196374143.db2.gz	BGAANCHKLMKSRN-HEFCMCLBSA-N	0	3	322.408	2.916	20	30		DFEDHN
C=CCC[C@H](NCC(C)(C)N1CCN(C)CC1)c1ccco1	ZINC000671740366	544104697	/nfs/dbraw/zinc/10/46/97/544104697.db2.gz	ORTMKTQDJYDGJN-INIZCTEOSA-N	0	3	305.466	2.903	20	30		DFEDHN
C=CCCCCCN(C)C(=O)Nc1cnn(CCN(C)C)c1	ZINC000673869857	544204301	/nfs/dbraw/zinc/20/43/01/544204301.db2.gz	DVIBURNBUGBFSG-UHFFFAOYSA-N	0	3	307.442	2.655	20	30		DFEDHN
C=CCOc1ccc(CNCCc2nncn2CC)cc1Cl	ZINC000673891192	544205325	/nfs/dbraw/zinc/20/53/25/544205325.db2.gz	NZFBVBOSGLMOEB-UHFFFAOYSA-N	0	3	320.824	2.849	20	30		DFEDHN
Cc1nsc(NC(=O)NC[C@H](C)N2CCC(C)CC2)c1C#N	ZINC000297492934	227241569	/nfs/dbraw/zinc/24/15/69/227241569.db2.gz	UESZTXDJCUXGBH-NSHDSACASA-N	0	3	321.450	2.565	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(CC)C[C@@H]1C	ZINC000674886066	544274341	/nfs/dbraw/zinc/27/43/41/544274341.db2.gz	JEAQZKFYXPFBCC-DOTOQJQBSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000675498039	544316190	/nfs/dbraw/zinc/31/61/90/544316190.db2.gz	YWFWDXOGNOGDFV-HOTGVXAUSA-N	0	3	321.465	2.631	20	30		DFEDHN
C=C[C@H](CC(=O)N[C@@H]1CCCN(CCOC)C1)c1ccccc1	ZINC000677541714	544503570	/nfs/dbraw/zinc/50/35/70/544503570.db2.gz	SXLQOFRGCCVWBU-SJLPKXTDSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cnn(Cc2ccccc2Cl)c1	ZINC000678732243	544713509	/nfs/dbraw/zinc/71/35/09/544713509.db2.gz	JCPSWGATTYXPIP-CQSZACIVSA-N	0	3	319.836	2.859	20	30		DFEDHN
CCC#C[C@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000678741328	544714128	/nfs/dbraw/zinc/71/41/28/544714128.db2.gz	BJFNEDRXIRVNNX-GJZGRUSLSA-N	0	3	314.429	2.797	20	30		DFEDHN
COCC#CCN[C@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000678743436	544714681	/nfs/dbraw/zinc/71/46/81/544714681.db2.gz	UWNLYRXLBGJUGU-MRXNPFEDSA-N	0	3	310.397	2.961	20	30		DFEDHN
C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000299715341	229354991	/nfs/dbraw/zinc/35/49/91/229354991.db2.gz	RHFSDMVKJBQFKG-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000679174915	544795620	/nfs/dbraw/zinc/79/56/20/544795620.db2.gz	QUUWPGAXKQTSTQ-CVEARBPZSA-N	0	3	312.417	2.588	20	30		DFEDHN
CN(C)[C@H](CNc1ccc(C#N)nn1)c1ccc(Cl)cc1	ZINC000301956714	230003194	/nfs/dbraw/zinc/00/31/94/230003194.db2.gz	FUGUQIQWEUAZOM-CQSZACIVSA-N	0	3	301.781	2.716	20	30		DFEDHN
COCCCN1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1	ZINC000302045561	230059532	/nfs/dbraw/zinc/05/95/32/230059532.db2.gz	KIIMNALWOQZUBZ-UHFFFAOYSA-N	0	3	315.417	2.674	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCCN(CC)C2)c1	ZINC000056752868	425895830	/nfs/dbraw/zinc/89/58/30/425895830.db2.gz	HBLBCYKVJGIUHX-HNNXBMFYSA-N	0	3	303.406	2.857	20	30		DFEDHN
Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413337354	269914610	/nfs/dbraw/zinc/91/46/10/269914610.db2.gz	WHQNHVJORCQGIX-GFCCVEGCSA-N	0	3	314.389	2.695	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)cc1)C(C)C	ZINC000046018398	263968743	/nfs/dbraw/zinc/96/87/43/263968743.db2.gz	QSOTZFMBAJCMNG-GOSISDBHSA-N	0	3	311.429	2.987	20	30		DFEDHN
CCN1CCC(N(C)C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000351824532	269999159	/nfs/dbraw/zinc/99/91/59/269999159.db2.gz	RLFDHSWJHAXFKD-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#Cc1ccc(CN2CCC(NCC3(C#N)CCC3)CC2)cc1	ZINC000418143479	270000432	/nfs/dbraw/zinc/00/04/32/270000432.db2.gz	PPIPJAVOPBVKNK-UHFFFAOYSA-N	0	3	308.429	2.806	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)NCc1cccc(C#N)c1	ZINC000417001818	270000468	/nfs/dbraw/zinc/00/04/68/270000468.db2.gz	WKHNUQPYNAANDK-GOSISDBHSA-N	0	3	322.412	2.620	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CNCCC1(F)F	ZINC000423484450	270000765	/nfs/dbraw/zinc/00/07/65/270000765.db2.gz	RDXWNTMZYUKURQ-HZPDHXFCSA-N	0	3	305.372	2.913	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)n1C)N(C)C	ZINC000451272875	270001421	/nfs/dbraw/zinc/00/14/21/270001421.db2.gz	VIHGMFLOOKBHHX-KBXCAEBGSA-N	0	3	324.428	2.626	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(NCCN3CC=C(C)CC3)c2c1	ZINC000487753191	270002026	/nfs/dbraw/zinc/00/20/26/270002026.db2.gz	AWJDBWBBSOZUKL-UHFFFAOYSA-N	0	3	306.413	2.901	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1	ZINC000124690072	425932867	/nfs/dbraw/zinc/93/28/67/425932867.db2.gz	BMOLPEXAFRQAHL-GDBMZVCRSA-N	0	3	302.418	2.806	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)CSc1ccc(C#N)cc1	ZINC000103069983	425935142	/nfs/dbraw/zinc/93/51/42/425935142.db2.gz	CATCAIYJXNBQNV-AWEZNQCLSA-N	0	3	317.458	2.641	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c(C)n1	ZINC000338422495	266032575	/nfs/dbraw/zinc/03/25/75/266032575.db2.gz	AUSSZLOPVSKKGC-MRXNPFEDSA-N	0	3	314.433	2.646	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)nc1	ZINC000345327476	266046443	/nfs/dbraw/zinc/04/64/43/266046443.db2.gz	PRTJOHBGCMZYOM-UHFFFAOYSA-N	0	3	314.433	2.681	20	30		DFEDHN
CCC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000295370230	266069061	/nfs/dbraw/zinc/06/90/61/266069061.db2.gz	SGNDQSLEFKRJAS-CQSZACIVSA-N	0	3	306.381	2.702	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1cscc1C#N	ZINC000410860190	266126609	/nfs/dbraw/zinc/12/66/09/266126609.db2.gz	AQBKWCQNETXSGE-UHFFFAOYSA-N	0	3	305.447	2.958	20	30		DFEDHN
CCN(Cc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280086529	266139160	/nfs/dbraw/zinc/13/91/60/266139160.db2.gz	OEDXDLDZPLRRFJ-KRWDZBQOSA-N	0	3	318.380	2.684	20	30		DFEDHN
CCN1C[C@@H](C)N(CCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000346162228	266157372	/nfs/dbraw/zinc/15/73/72/266157372.db2.gz	KLXZPSSSTJVTAY-JKSUJKDBSA-N	0	3	301.434	2.742	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H](CC)O1	ZINC000398552088	266378091	/nfs/dbraw/zinc/37/80/91/266378091.db2.gz	YCCJCEPTMYHZPZ-IAGOWNOFSA-N	0	3	315.417	2.776	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000343055227	266586328	/nfs/dbraw/zinc/58/63/28/266586328.db2.gz	SBYCVGIOOZUJNR-CQSZACIVSA-N	0	3	317.393	2.581	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)ccn2)C1	ZINC000352039816	267003323	/nfs/dbraw/zinc/00/33/23/267003323.db2.gz	JLKXTRKYHTWIFF-WMLDXEAASA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc(F)c2C#N)C1	ZINC000188572125	267014568	/nfs/dbraw/zinc/01/45/68/267014568.db2.gz	XLRGLOXPFXWGKX-CYBMUJFWSA-N	0	3	317.408	2.938	20	30		DFEDHN
CCN(CC)[C@@H](CNc1cncc(C#N)n1)c1ccsc1	ZINC000420583583	267060873	/nfs/dbraw/zinc/06/08/73/267060873.db2.gz	JTQYDBUZXKFNPG-AWEZNQCLSA-N	0	3	301.419	2.905	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCCN1C	ZINC000345098413	267105942	/nfs/dbraw/zinc/10/59/42/267105942.db2.gz	OYADRPPTIWLLPY-MFKMUULPSA-N	0	3	306.797	2.816	20	30		DFEDHN
CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)c(OC)c1	ZINC000442884462	267115618	/nfs/dbraw/zinc/11/56/18/267115618.db2.gz	KRXQARCTTKMKFG-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C[C@@]1(CO)CCC[C@H]1NCc1ccc(Br)cc1C#N	ZINC000347218949	267116111	/nfs/dbraw/zinc/11/61/11/267116111.db2.gz	BZHZBWHJAMJKRZ-CABCVRRESA-N	0	3	323.234	2.961	20	30		DFEDHN
C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCC(C)CC1	ZINC000346378894	267160014	/nfs/dbraw/zinc/16/00/14/267160014.db2.gz	SGSNIRYDTCQMKT-MRXNPFEDSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)N(C)C	ZINC000348709364	267160518	/nfs/dbraw/zinc/16/05/18/267160518.db2.gz	MJMVPBJUSGTILM-CQSZACIVSA-N	0	3	322.412	2.982	20	30		DFEDHN
C[C@H](NCCNC(=O)c1ccccc1)c1ccc(C#N)c(F)c1	ZINC000346200062	267181360	/nfs/dbraw/zinc/18/13/60/267181360.db2.gz	QYEMMJMGYXSRNJ-ZDUSSCGKSA-N	0	3	311.360	2.778	20	30		DFEDHN
C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1	ZINC000348142625	267181563	/nfs/dbraw/zinc/18/15/63/267181563.db2.gz	GCSUMRQAKQUFIK-WCQYABFASA-N	0	3	321.808	2.555	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC1(C)C	ZINC000419322538	267194562	/nfs/dbraw/zinc/19/45/62/267194562.db2.gz	SJKOBJVNOXSVLA-JKSUJKDBSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000518365329	267202127	/nfs/dbraw/zinc/20/21/27/267202127.db2.gz	HXTGNUZGDBCYDK-HZPDHXFCSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000345196352	267208577	/nfs/dbraw/zinc/20/85/77/267208577.db2.gz	KGIUJNBIAAFTJN-QAPCUYQASA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@]1(CNC(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1	ZINC000347458348	267261351	/nfs/dbraw/zinc/26/13/51/267261351.db2.gz	XXRONQKXQXBMDD-LJQANCHMSA-N	0	3	323.396	2.936	20	30		DFEDHN
C[C@]1(CNc2cncc(C#N)n2)CCCN1Cc1ccccc1	ZINC000401203666	267262416	/nfs/dbraw/zinc/26/24/16/267262416.db2.gz	QAYHMPJESNZBLC-GOSISDBHSA-N	0	3	307.401	2.815	20	30		DFEDHN
CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)Cc1ccccc1	ZINC000421333681	267289467	/nfs/dbraw/zinc/28/94/67/267289467.db2.gz	OPCLUVCNPYQMGS-SFHVURJKSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000421710008	267308884	/nfs/dbraw/zinc/30/88/84/267308884.db2.gz	IHGLJUGNVZUDAI-QGZVFWFLSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)CC1(O)CCCC1	ZINC000443867031	267314455	/nfs/dbraw/zinc/31/44/55/267314455.db2.gz	IYVFJMLECSFQPO-UHFFFAOYSA-N	0	3	310.344	2.897	20	30		DFEDHN
Cc1cc(N2CCN(CCc3cccs3)CC2)cc(C#N)n1	ZINC000341835998	267338928	/nfs/dbraw/zinc/33/89/28/267338928.db2.gz	CDGFVTAJCPSLCH-UHFFFAOYSA-N	0	3	312.442	2.688	20	30		DFEDHN
CN1C[C@@H]2CCCN(c3cc(C(F)(F)F)cnc3C#N)[C@@H]2C1	ZINC000425284302	267342849	/nfs/dbraw/zinc/34/28/49/267342849.db2.gz	NIXLJSXWXPVATB-IINYFYTJSA-N	0	3	310.323	2.502	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1c1ccccc1	ZINC000449759595	267389837	/nfs/dbraw/zinc/38/98/37/267389837.db2.gz	YUYPWLJFVNTYBE-MOPGFXCFSA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000514798065	267784978	/nfs/dbraw/zinc/78/49/78/267784978.db2.gz	GRVABMXNRHMIPS-NVXWUHKLSA-N	0	3	321.428	2.838	20	30		DFEDHN
CN(CCC(=O)N1CCc2ccccc21)Cc1ccc(C#N)cc1	ZINC000046529209	425865776	/nfs/dbraw/zinc/86/57/76/425865776.db2.gz	VEAXTXXIZNLJRK-UHFFFAOYSA-N	0	3	319.408	2.969	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000037856730	425849624	/nfs/dbraw/zinc/84/96/24/425849624.db2.gz	UVIKSTOJOUFNLX-GXTWGEPZSA-N	0	3	302.399	2.710	20	30		DFEDHN
COC(=O)[C@@](C)(CNCc1ccc(C#N)s1)c1ccccc1	ZINC000191577735	268006383	/nfs/dbraw/zinc/00/63/83/268006383.db2.gz	GJDYWYIRILNZNS-KRWDZBQOSA-N	0	3	314.410	2.840	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(C#N)nc1	ZINC000528781552	268037219	/nfs/dbraw/zinc/03/72/19/268037219.db2.gz	HLLPRRUSTZPLKM-UHFFFAOYSA-N	0	3	308.385	2.505	20	30		DFEDHN
Cc1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1C#N	ZINC000515018400	268069271	/nfs/dbraw/zinc/06/92/71/268069271.db2.gz	FYBNASVCSYQFSU-LJQANCHMSA-N	0	3	309.413	2.959	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)n1	ZINC000487912231	268074536	/nfs/dbraw/zinc/07/45/36/268074536.db2.gz	OLQFIWVGHYZVQM-SFHVURJKSA-N	0	3	323.444	2.987	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)C2CCCC2)c(OC(F)F)c1	ZINC000352706832	268076548	/nfs/dbraw/zinc/07/65/48/268076548.db2.gz	OVTVUXOMKHYZNA-CQSZACIVSA-N	0	3	310.344	2.800	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC(F)(F)C2)cc1	ZINC000348335696	268092352	/nfs/dbraw/zinc/09/23/52/268092352.db2.gz	BZKHFLYKKFTBCX-CABCVRRESA-N	0	3	317.339	2.935	20	30		DFEDHN
N#Cc1cc(NC(=O)C2CN(C3CCCCC3)C2)ccc1F	ZINC000457539548	268187017	/nfs/dbraw/zinc/18/70/17/268187017.db2.gz	YEVUZBQMEGLOGV-UHFFFAOYSA-N	0	3	301.365	2.900	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000269624482	268189283	/nfs/dbraw/zinc/18/92/83/268189283.db2.gz	NWHJUWMWMBRDNZ-GOSISDBHSA-N	0	3	319.408	2.871	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCCN1C1CC1	ZINC000432152153	268192090	/nfs/dbraw/zinc/19/20/90/268192090.db2.gz	INBSEBGFMIGJCN-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1F	ZINC000456848149	268231490	/nfs/dbraw/zinc/23/14/90/268231490.db2.gz	WESVKYPHHYFZJM-QGZVFWFLSA-N	0	3	315.392	2.721	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)o1	ZINC000428536013	268232963	/nfs/dbraw/zinc/23/29/63/268232963.db2.gz	LVLWCWWQYVNIGG-DLBZAZTESA-N	0	3	300.333	2.546	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1	ZINC000433795740	268248573	/nfs/dbraw/zinc/24/85/73/268248573.db2.gz	ZPBAKRNQNRARGQ-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc(CNCc2cccc(CN3CCOCC3)c2)cc1	ZINC000048745608	425877000	/nfs/dbraw/zinc/87/70/00/425877000.db2.gz	WRRUUQAKKFDCDG-UHFFFAOYSA-N	0	3	321.424	2.680	20	30		DFEDHN
N#Cc1cccc(OCCN(CCO)Cc2cccc(F)c2)c1	ZINC000494268973	268285105	/nfs/dbraw/zinc/28/51/05/268285105.db2.gz	TWTYSDALEDZAEQ-UHFFFAOYSA-N	0	3	314.360	2.571	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1	ZINC000425229922	268293392	/nfs/dbraw/zinc/29/33/92/268293392.db2.gz	QYWZOOVEHDSBNK-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2occc21	ZINC000530230221	268299111	/nfs/dbraw/zinc/29/91/11/268299111.db2.gz	FTFMXGABBWRDRP-HOCLYGCPSA-N	0	3	312.369	2.558	20	30		DFEDHN
N#Cc1cnc(N2CCCN(Cc3ccccc3)CC2)c(F)c1	ZINC000413037417	268311889	/nfs/dbraw/zinc/31/18/89/268311889.db2.gz	RYQIAKXWLSWPIX-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1cc(C#N)cs1	ZINC000300218462	268320988	/nfs/dbraw/zinc/32/09/88/268320988.db2.gz	TYVKJTJUEFOSKD-WDNDVIMCSA-N	0	3	319.430	2.575	20	30		DFEDHN
CN(C)CC(C)(C)NCc1ccc(Br)cc1C#N	ZINC000308635664	268335167	/nfs/dbraw/zinc/33/51/67/268335167.db2.gz	JIYXPAHMJSADEO-UHFFFAOYSA-N	0	3	310.239	2.751	20	30		DFEDHN
COc1cc(CN2CCNC[C@@H]2c2ccccc2)ccc1C#N	ZINC000313321924	268339886	/nfs/dbraw/zinc/33/98/86/268339886.db2.gz	KONPCIDVGQFEAY-GOSISDBHSA-N	0	3	307.397	2.713	20	30		DFEDHN
CCc1cccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320214482	268347947	/nfs/dbraw/zinc/34/79/47/268347947.db2.gz	SIZSEMLUFHLDBV-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2cnccc2C#N)C1	ZINC000323750962	268350316	/nfs/dbraw/zinc/35/03/16/268350316.db2.gz	DMTWMWOZXBNRKM-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000157474318	425938256	/nfs/dbraw/zinc/93/82/56/425938256.db2.gz	JNTPSXQEWHJWQW-GOSISDBHSA-N	0	3	301.434	2.869	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1cnc(C#N)cn1	ZINC000125120461	425954067	/nfs/dbraw/zinc/95/40/67/425954067.db2.gz	DYFXDGXUJJDEIK-QAPCUYQASA-N	0	3	321.428	2.695	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccccc2)CC1	ZINC000106039304	425970222	/nfs/dbraw/zinc/97/02/22/425970222.db2.gz	CTLVYYILSTWFMH-OAHLLOKOSA-N	0	3	302.418	2.611	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccccc2CC)CC1	ZINC000106040651	425970452	/nfs/dbraw/zinc/97/04/52/425970452.db2.gz	INGUMLBXDUHRLS-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000106034151	425970753	/nfs/dbraw/zinc/97/07/53/425970753.db2.gz	ZSSQSMJBOANACS-UHFFFAOYSA-N	0	3	321.352	2.504	20	30		DFEDHN
C[C@@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)N(C)CCC#N	ZINC000070788577	425976010	/nfs/dbraw/zinc/97/60/10/425976010.db2.gz	ARFFGEALZRXHMF-HUUCEWRRSA-N	0	3	313.445	2.977	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000126996431	426046691	/nfs/dbraw/zinc/04/66/91/426046691.db2.gz	CEZMYQNQQSUVDK-GOSISDBHSA-N	0	3	314.429	2.742	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[nH]1	ZINC000162049616	426050731	/nfs/dbraw/zinc/05/07/31/426050731.db2.gz	SACPFIBULDMFPG-KRWDZBQOSA-N	0	3	322.412	2.671	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1cnc(C#N)cn1	ZINC000127087927	426050834	/nfs/dbraw/zinc/05/08/34/426050834.db2.gz	KNHYFHFVXFFZAI-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
COCCN(CCCn1ccnc1C)Cc1ccc(C#N)cc1	ZINC000127323815	426061260	/nfs/dbraw/zinc/06/12/60/426061260.db2.gz	WOZYHYDVJIZSBU-UHFFFAOYSA-N	0	3	312.417	2.602	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1	ZINC000127329604	426061773	/nfs/dbraw/zinc/06/17/73/426061773.db2.gz	IHBKXNOAKBYCBP-QKKBWIMNSA-N	0	3	307.459	2.896	20	30		DFEDHN
CCc1nccn1[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000127477471	426068008	/nfs/dbraw/zinc/06/80/08/426068008.db2.gz	JTEUWIZCVOCLEG-MSOLQXFVSA-N	0	3	324.428	2.688	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCSc2ccc(C)cc2)CC1	ZINC000108709121	426020540	/nfs/dbraw/zinc/02/05/40/426020540.db2.gz	FKPIQJHDSZDRQI-UHFFFAOYSA-N	0	3	316.470	2.549	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000127951320	426094512	/nfs/dbraw/zinc/09/45/12/426094512.db2.gz	JKNANAVUHXNPTG-SJLPKXTDSA-N	0	3	300.402	2.564	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)cc1	ZINC000113364731	426112968	/nfs/dbraw/zinc/11/29/68/426112968.db2.gz	UYZKJTMKGNCSCI-INIZCTEOSA-N	0	3	300.406	2.944	20	30		DFEDHN
COc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)cc1C#N	ZINC000128349012	426113063	/nfs/dbraw/zinc/11/30/63/426113063.db2.gz	ICSBZZIYMHTDFH-MRXNPFEDSA-N	0	3	316.401	2.732	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN1CCCCC[C@@H]1c1ccccc1	ZINC000076748104	426116810	/nfs/dbraw/zinc/11/68/10/426116810.db2.gz	WCUWNBPCPXDTMY-MRXNPFEDSA-N	0	3	315.417	2.616	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000128484956	426119462	/nfs/dbraw/zinc/11/94/62/426119462.db2.gz	DEOIUTKMOYEVHD-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000114188458	426129412	/nfs/dbraw/zinc/12/94/12/426129412.db2.gz	OQFGOFJFRHHEFF-ZDUSSCGKSA-N	0	3	303.324	2.953	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000128748189	426131196	/nfs/dbraw/zinc/13/11/96/426131196.db2.gz	PFLNKVJRIWZKEZ-MJGOQNOKSA-N	0	3	313.445	2.748	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](COc1ccccc1F)C(C)(C)C	ZINC000112368036	426076008	/nfs/dbraw/zinc/07/60/08/426076008.db2.gz	JPSXGJFUHKHTHW-XJKSGUPXSA-N	0	3	322.424	2.900	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C	ZINC000112644362	426086070	/nfs/dbraw/zinc/08/60/70/426086070.db2.gz	MECDLJKVVHSUMF-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
C#CCCOc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1	ZINC000116921488	426201956	/nfs/dbraw/zinc/20/19/56/426201956.db2.gz	WGRZCGMNUBAAIW-NRFANRHFSA-N	0	3	307.459	2.726	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C(C)=O)cc2)CC1	ZINC000171680362	426204434	/nfs/dbraw/zinc/20/44/34/426204434.db2.gz	MZEWHUUBSZQSFT-UHFFFAOYSA-N	0	3	301.390	2.661	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@H](C)C1	ZINC000129758347	426139644	/nfs/dbraw/zinc/13/96/44/426139644.db2.gz	ANPFPALKRWUERM-SJLPKXTDSA-N	0	3	313.445	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1	ZINC000171716730	426206785	/nfs/dbraw/zinc/20/67/85/426206785.db2.gz	UGYIIBZGHIWBNC-UHFFFAOYSA-N	0	3	304.409	2.870	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1	ZINC000171719393	426206792	/nfs/dbraw/zinc/20/67/92/426206792.db2.gz	AYWRVXLDNPRVOA-UHFFFAOYSA-N	0	3	316.232	2.712	20	30		DFEDHN
C#CCNC(=O)[C@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2	ZINC000170789949	426149768	/nfs/dbraw/zinc/14/97/68/426149768.db2.gz	DBGITWYGTXBUGD-LSDHHAIUSA-N	0	3	313.445	2.597	20	30		DFEDHN
CCc1nc(C)c([C@H](C)N(C)CCC(=O)N(C)CCC#N)s1	ZINC000131687206	426166604	/nfs/dbraw/zinc/16/66/04/426166604.db2.gz	WOPXRURWXWVVNU-ZDUSSCGKSA-N	0	3	322.478	2.769	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCN(C2CCC(C)CC2)CC1	ZINC000115565800	426168168	/nfs/dbraw/zinc/16/81/68/426168168.db2.gz	NZVUOWOQXYYMBU-UHFFFAOYSA-N	0	3	321.509	2.607	20	30		DFEDHN
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000078419941	426169300	/nfs/dbraw/zinc/16/93/00/426169300.db2.gz	YXOSPVIEPVBNGP-GOEBONIOSA-N	0	3	317.408	2.798	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)NCCN(CC)C1CC1	ZINC000171249841	426179978	/nfs/dbraw/zinc/17/99/78/426179978.db2.gz	LEUFDELCPFSPSQ-UHFFFAOYSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#CC1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCC1	ZINC000134719021	426193138	/nfs/dbraw/zinc/19/31/38/426193138.db2.gz	CTFQLBGYYORYPO-UHFFFAOYSA-N	0	3	317.458	2.770	20	30		DFEDHN
Cc1nc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1C#N	ZINC000171880681	426217875	/nfs/dbraw/zinc/21/78/75/426217875.db2.gz	BXRMTZBYSWZQAS-CQSZACIVSA-N	0	3	322.412	2.512	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CCc3ccccc32)CC1	ZINC000171907835	426218378	/nfs/dbraw/zinc/21/83/78/426218378.db2.gz	FPINSXPGTPUBLL-MRXNPFEDSA-N	0	3	313.445	2.666	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSC(C)(C)C1	ZINC000083418570	426230095	/nfs/dbraw/zinc/23/00/95/426230095.db2.gz	UNVGHVIZEONLIH-UHFFFAOYSA-N	0	3	306.431	2.773	20	30		DFEDHN
N#Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1	ZINC000118639764	426240507	/nfs/dbraw/zinc/24/05/07/426240507.db2.gz	QZVQHRGJOCRWGY-UHFFFAOYSA-N	0	3	313.401	2.532	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2C)CC1	ZINC000171716571	426206976	/nfs/dbraw/zinc/20/69/76/426206976.db2.gz	MUPVRYUNSPMARC-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000171755553	426209613	/nfs/dbraw/zinc/20/96/13/426209613.db2.gz	IKYRYSQDUGYGPR-LSDHHAIUSA-N	0	3	320.383	2.835	20	30		DFEDHN
Cc1nc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1C#N	ZINC000171880685	426217530	/nfs/dbraw/zinc/21/75/30/426217530.db2.gz	BXRMTZBYSWZQAS-AWEZNQCLSA-N	0	3	322.412	2.512	20	30		DFEDHN
CCN1CC[C@H]2OCCN(Cc3ccc(Cl)cc3C#N)[C@@H]2C1	ZINC000339394209	268806730	/nfs/dbraw/zinc/80/67/30/268806730.db2.gz	NSXFLVWWTMWREU-IAGOWNOFSA-N	0	3	319.836	2.507	20	30		DFEDHN
N#Cc1cccc(CNCCNc2nccc(C(F)(F)F)n2)c1	ZINC000119537816	426295291	/nfs/dbraw/zinc/29/52/91/426295291.db2.gz	ADCPKCWFMUSQDH-UHFFFAOYSA-N	0	3	321.306	2.569	20	30		DFEDHN
C=CCCS(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000119710743	426300555	/nfs/dbraw/zinc/30/05/55/426300555.db2.gz	FAXSEAWWXNAUMD-KRWDZBQOSA-N	0	3	322.474	2.537	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1	ZINC000175553924	426313506	/nfs/dbraw/zinc/31/35/06/426313506.db2.gz	SMOHEXKCQRVDHP-ZDUSSCGKSA-N	0	3	310.401	2.746	20	30		DFEDHN
C#CCN(C(=O)NC1CCN(CC(=C)C)CC1)C1CCCC1	ZINC000120620425	426314137	/nfs/dbraw/zinc/31/41/37/426314137.db2.gz	JXXKRRVDQQWACG-UHFFFAOYSA-N	0	3	303.450	2.614	20	30		DFEDHN
CN(CCN1CCCC1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000089898234	426317501	/nfs/dbraw/zinc/31/75/01/426317501.db2.gz	IQQINYCVJITFNC-UHFFFAOYSA-N	0	3	320.824	2.827	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000175747865	426325413	/nfs/dbraw/zinc/32/54/13/426325413.db2.gz	BTSMGJOVQVTBDI-OAHLLOKOSA-N	0	3	300.406	2.672	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc([C@@H](C)CC)no2)CC1	ZINC000119283446	426275545	/nfs/dbraw/zinc/27/55/45/426275545.db2.gz	YQANGSRRZHKIEQ-ZDUSSCGKSA-N	0	3	305.422	2.958	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cc(C#N)cc1F	ZINC000119413552	426286209	/nfs/dbraw/zinc/28/62/09/426286209.db2.gz	QPFXAMOGXMVCMZ-OLZOCXBDSA-N	0	3	319.355	2.535	20	30		DFEDHN
Cc1cccc([C@@H](C)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000153622793	426395726	/nfs/dbraw/zinc/39/57/26/426395726.db2.gz	SZKOGGNGOYGXKH-KBXCAEBGSA-N	0	3	307.397	2.786	20	30		DFEDHN
C[C@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1n1ccnc1	ZINC000122872701	426399719	/nfs/dbraw/zinc/39/97/19/426399719.db2.gz	OZHJTAGDMIUYBV-RDJZCZTQSA-N	0	3	310.401	2.717	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)s1	ZINC000152510215	426344048	/nfs/dbraw/zinc/34/40/48/426344048.db2.gz	PNVDCQVMGDEBFX-CQSZACIVSA-N	0	3	317.458	2.891	20	30		DFEDHN
CCN(Cc1ccccc1N1CCN(CC)CC1)C[C@H](C)C#N	ZINC000091983735	426347093	/nfs/dbraw/zinc/34/70/93/426347093.db2.gz	CMQCYBXSHIVVFD-QGZVFWFLSA-N	0	3	314.477	2.810	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H]1CN1CCOCC1	ZINC000092218123	426348220	/nfs/dbraw/zinc/34/82/20/426348220.db2.gz	LVMOTNYXWJXORF-GOSISDBHSA-N	0	3	316.445	2.548	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC=C(c2cccs2)CC1	ZINC000092797240	426352393	/nfs/dbraw/zinc/35/23/93/426352393.db2.gz	JLSCUPFIUCLRKL-UHFFFAOYSA-N	0	3	303.431	2.599	20	30		DFEDHN
CC(C)(CCC#N)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000093534934	426355857	/nfs/dbraw/zinc/35/58/57/426355857.db2.gz	LILLALDCRXWDTG-ZDUSSCGKSA-N	0	3	317.393	2.806	20	30		DFEDHN
CC#CCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	ZINC000121946060	426356783	/nfs/dbraw/zinc/35/67/83/426356783.db2.gz	ANBDNNAWGCJZDX-UHFFFAOYSA-N	0	3	310.441	2.913	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](C)c2ccc(OC)cc2)CC1	ZINC000176285327	426366258	/nfs/dbraw/zinc/36/62/58/426366258.db2.gz	GBYWFHBNPXNKRB-OAHLLOKOSA-N	0	3	316.445	2.955	20	30		DFEDHN
C[C@]1(CNC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1	ZINC000122423996	426374373	/nfs/dbraw/zinc/37/43/73/426374373.db2.gz	YNGDWHKZWPBDOI-LJQANCHMSA-N	0	3	322.412	2.671	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1	ZINC000122612029	426384957	/nfs/dbraw/zinc/38/49/57/426384957.db2.gz	KKAOHDHPARCNMT-UHFFFAOYSA-N	0	3	301.434	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)Oc2ccccc2C)CC1	ZINC000176523075	426390445	/nfs/dbraw/zinc/39/04/45/426390445.db2.gz	HUFDMJQUIQHGRV-KRWDZBQOSA-N	0	3	316.445	2.919	20	30		DFEDHN
CCN(CCc1ccccc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000154076045	426423277	/nfs/dbraw/zinc/42/32/77/426423277.db2.gz	COYBPRTYDIMUAS-LPHOPBHVSA-N	0	3	315.461	2.994	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000176943878	426427412	/nfs/dbraw/zinc/42/74/12/426427412.db2.gz	LGMIJBFSWXJPSU-BETUJISGSA-N	0	3	307.463	2.597	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000340712173	269003303	/nfs/dbraw/zinc/00/33/03/269003303.db2.gz	LYDKCMYEWYHXNB-QGZVFWFLSA-N	0	3	311.360	2.730	20	30		DFEDHN
CCC(CC)[C@@H](CNCc1cc(C#N)cs1)N1CCOCC1	ZINC000177684152	426506346	/nfs/dbraw/zinc/50/63/46/426506346.db2.gz	ADAKCKJAMFURQV-QGZVFWFLSA-N	0	3	321.490	2.846	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2cc(C)cc(C)c2)CC1	ZINC000264443950	426554467	/nfs/dbraw/zinc/55/44/67/426554467.db2.gz	AWXFMVVKJUJAJW-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CNC2(c3ccccc3)CCC2)cc1	ZINC000264205587	426517209	/nfs/dbraw/zinc/51/72/09/426517209.db2.gz	QXZWHJAURBTAHS-UHFFFAOYSA-N	0	3	319.408	2.843	20	30		DFEDHN
Cn1nccc1C1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000195504058	426529911	/nfs/dbraw/zinc/52/99/11/426529911.db2.gz	FXMQXDHFHXPZDP-UHFFFAOYSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc(OCC)c2)CC1	ZINC000264351475	426541790	/nfs/dbraw/zinc/54/17/90/426541790.db2.gz	BMYAEOQMOBDPPG-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@H]2C1	ZINC000272514670	426544654	/nfs/dbraw/zinc/54/46/54/426544654.db2.gz	XLUPJKWDCXUPQZ-WFASDCNBSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccccc2OC)CC1	ZINC000264382409	426546402	/nfs/dbraw/zinc/54/64/02/426546402.db2.gz	LLOODTITMNTOGG-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OC)cc2)CC1	ZINC000264419774	426549541	/nfs/dbraw/zinc/54/95/41/426549541.db2.gz	QSGQSHNPTUARRK-CQSZACIVSA-N	0	3	317.433	2.706	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000186206488	426494476	/nfs/dbraw/zinc/49/44/76/426494476.db2.gz	MGCACFGOEJFCMI-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C#N)cc1C)CC2	ZINC000186239610	426496902	/nfs/dbraw/zinc/49/69/02/426496902.db2.gz	ARTAHPSIPCVPSR-MSOLQXFVSA-N	0	3	314.429	2.619	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCOCC2	ZINC000186324592	426504721	/nfs/dbraw/zinc/50/47/21/426504721.db2.gz	DGUNWZFUMJVGPU-IRXDYDNUSA-N	0	3	318.392	2.761	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOc2ccccc2F)CC1	ZINC000264527033	426567975	/nfs/dbraw/zinc/56/79/75/426567975.db2.gz	YVKWWIBFTUTEPX-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)ncc2Cl)CC1	ZINC000186688163	426579582	/nfs/dbraw/zinc/57/95/82/426579582.db2.gz	UODGLYAETRAINO-UHFFFAOYSA-N	0	3	314.216	2.769	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(F)cc1C#N	ZINC000289113857	426586197	/nfs/dbraw/zinc/58/61/97/426586197.db2.gz	QUQWUTFHDUPQJI-DOMZBBRYSA-N	0	3	316.380	2.788	20	30		DFEDHN
C=C(C)CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000280520592	426593331	/nfs/dbraw/zinc/59/33/31/426593331.db2.gz	FRFCXIZQGUXKGC-WBVHZDCISA-N	0	3	322.474	2.535	20	30		DFEDHN
C[C@@H](Cc1ccccc1)CN1CCN(c2ccc(C#N)cn2)CC1	ZINC000186878024	426602865	/nfs/dbraw/zinc/60/28/65/426602865.db2.gz	MIENOEJSHXPWCB-KRWDZBQOSA-N	0	3	320.440	2.954	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)cc1	ZINC000186598642	426561728	/nfs/dbraw/zinc/56/17/28/426561728.db2.gz	MRXVQBJPAYJMPE-PMACEKPBSA-N	0	3	320.392	2.723	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C(=O)NC1CC1)c1ccccc1	ZINC000280696142	426635777	/nfs/dbraw/zinc/63/57/77/426635777.db2.gz	RYEBKQULTKIYBM-JQHSSLGASA-N	0	3	314.429	2.577	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1	ZINC000178508661	426643885	/nfs/dbraw/zinc/64/38/85/426643885.db2.gz	SLYAWPOXWAPDGK-OAHLLOKOSA-N	0	3	316.401	2.601	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(OCCC)c2)CC1	ZINC000178524018	426646952	/nfs/dbraw/zinc/64/69/52/426646952.db2.gz	KWUISBWAYUGZCN-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	ZINC000265663366	426671476	/nfs/dbraw/zinc/67/14/76/426671476.db2.gz	FGRITWFEYBQOBI-RPTYSRGTSA-N	0	3	312.200	2.792	20	30		DFEDHN
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C/CN(C)C	ZINC000265695677	426675745	/nfs/dbraw/zinc/67/57/45/426675745.db2.gz	OSARRCNPJPBRPQ-PPGNKHEKSA-N	0	3	303.431	2.995	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1	ZINC000178692282	426677509	/nfs/dbraw/zinc/67/75/09/426677509.db2.gz	UGFRRZBZUPRSRF-LSDHHAIUSA-N	0	3	304.459	2.927	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1	ZINC000290054426	426682201	/nfs/dbraw/zinc/68/22/01/426682201.db2.gz	DPLKCDDEVGNLOM-GOSISDBHSA-N	0	3	317.408	2.729	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnn2-c2ccccc2)CC1	ZINC000280921038	426685668	/nfs/dbraw/zinc/68/56/68/426685668.db2.gz	OGKYLZAVDJIWLF-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CN(C)C)c1	ZINC000280639069	426623264	/nfs/dbraw/zinc/62/32/64/426623264.db2.gz	MXHIVLDNGUNJTO-WBVHZDCISA-N	0	3	317.433	2.851	20	30		DFEDHN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(CC)CC	ZINC000274138594	426716679	/nfs/dbraw/zinc/71/66/79/426716679.db2.gz	JLTQNZBHJNPLNZ-INIZCTEOSA-N	0	3	317.433	2.661	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000188068700	426720712	/nfs/dbraw/zinc/72/07/12/426720712.db2.gz	GLQUUNYKCUFGHI-HUUCEWRRSA-N	0	3	315.417	2.645	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000280983921	426697981	/nfs/dbraw/zinc/69/79/81/426697981.db2.gz	MBNDLBRMFTWRKN-MRXNPFEDSA-N	0	3	319.449	2.781	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000281053034	426700326	/nfs/dbraw/zinc/70/03/26/426700326.db2.gz	RBOCSIYRYQMTBA-KSZLIROESA-N	0	3	320.477	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N(Cc2ccc(F)cc2)CC2CC2)C1=O	ZINC000281136384	426702536	/nfs/dbraw/zinc/70/25/36/426702536.db2.gz	AEVKUVHWYPZSQI-KRWDZBQOSA-N	0	3	302.393	2.825	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000245732324	426768745	/nfs/dbraw/zinc/76/87/45/426768745.db2.gz	WEZMJQUZQZDTJX-IKGGRYGDSA-N	0	3	318.465	2.579	20	30		DFEDHN
C=CCOc1ccc(CNCC2(C(=O)OC)CC2)cc1Cl	ZINC000188690157	426778476	/nfs/dbraw/zinc/77/84/76/426778476.db2.gz	VDLPOAOAOODRRF-UHFFFAOYSA-N	0	3	309.793	2.948	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000245918682	426783412	/nfs/dbraw/zinc/78/34/12/426783412.db2.gz	PUNVSWFYRJYRAO-RHSMWYFYSA-N	0	3	311.429	2.654	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000245941089	426785585	/nfs/dbraw/zinc/78/55/85/426785585.db2.gz	UMCIIWLBPDKJQX-CVEARBPZSA-N	0	3	304.434	2.604	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C	ZINC000274282764	426734762	/nfs/dbraw/zinc/73/47/62/426734762.db2.gz	PDTWOQRTMZKABY-JKSUJKDBSA-N	0	3	307.459	2.759	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)ccc1C#N	ZINC000281651933	426737263	/nfs/dbraw/zinc/73/72/63/426737263.db2.gz	JYDSLRATVRQRGX-XIKOKIGWSA-N	0	3	314.360	2.918	20	30		DFEDHN
COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2)ccc1C#N	ZINC000281674315	426742650	/nfs/dbraw/zinc/74/26/50/426742650.db2.gz	LUOGCQYFMJGGKJ-GOSISDBHSA-N	0	3	314.360	2.703	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(Cc3ccccc3F)CC2)CC1	ZINC000188454824	426753645	/nfs/dbraw/zinc/75/36/45/426753645.db2.gz	LGPUTHQTGZXFQS-UHFFFAOYSA-N	0	3	316.420	2.915	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C#N)c([N+](=O)[O-])c2)CC1	ZINC000290649833	426811981	/nfs/dbraw/zinc/81/19/81/426811981.db2.gz	OSSHZKMDMGNSIG-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
CS[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1N1CCCC1	ZINC000274695994	426817994	/nfs/dbraw/zinc/81/79/94/426817994.db2.gz	SELLVYPQEOFQKS-JKSUJKDBSA-N	0	3	305.422	2.713	20	30		DFEDHN
CCc1nn(C)cc1CNCCSCc1ccccc1C#N	ZINC000180073945	426833426	/nfs/dbraw/zinc/83/34/26/426833426.db2.gz	MNVVTRLOYLXESG-UHFFFAOYSA-N	0	3	314.458	2.877	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000246511799	426840202	/nfs/dbraw/zinc/84/02/02/426840202.db2.gz	QQAONZIEELYACF-ZWKOTPCHSA-N	0	3	316.445	2.657	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1C#N	ZINC000267189247	426840885	/nfs/dbraw/zinc/84/08/85/426840885.db2.gz	MALBEZFSGOEVHW-KZULUSFZSA-N	0	3	314.360	2.918	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1OC	ZINC000189350821	426843270	/nfs/dbraw/zinc/84/32/70/426843270.db2.gz	WCEJLQPRZXJWSE-DLBZAZTESA-N	0	3	305.418	2.899	20	30		DFEDHN
Cc1cncc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1	ZINC000180349865	426854729	/nfs/dbraw/zinc/85/47/29/426854729.db2.gz	XEVLQRYGXPJYPR-UHFFFAOYSA-N	0	3	317.396	2.952	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](Nc2ccccc2)C1	ZINC000246036713	426793506	/nfs/dbraw/zinc/79/35/06/426793506.db2.gz	WADPRWTXVZEDGJ-FUHWJXTLSA-N	0	3	313.445	2.762	20	30		DFEDHN
C#CCSCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000181100554	426915022	/nfs/dbraw/zinc/91/50/22/426915022.db2.gz	WZSNHPKISVXBLJ-AWEZNQCLSA-N	0	3	322.449	2.679	20	30		DFEDHN
C=C(C)CN(C)C(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000180476004	426864243	/nfs/dbraw/zinc/86/42/43/426864243.db2.gz	HPJZHPGNEPQJKN-UHFFFAOYSA-N	0	3	315.461	2.623	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)Cc1ccc(C#N)cc1	ZINC000275823908	426925137	/nfs/dbraw/zinc/92/51/37/426925137.db2.gz	KTICSPPDNNDLML-UHFFFAOYSA-N	0	3	307.397	2.844	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)COc1ccc(C#N)cc1	ZINC000275821599	426925172	/nfs/dbraw/zinc/92/51/72/426925172.db2.gz	KQSLWDOOMRZRKU-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000275934108	426952619	/nfs/dbraw/zinc/95/26/19/426952619.db2.gz	CUUDEJJRCNVVJB-HKUYNNGSSA-N	0	3	315.461	2.964	20	30		DFEDHN
CCOC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)C	ZINC000189795575	426952885	/nfs/dbraw/zinc/95/28/85/426952885.db2.gz	AFCSODINBIAYDI-CJNGLKHVSA-N	0	3	303.406	2.536	20	30		DFEDHN
CCc1nnc(N2CC[C@@H](N3CCCCC3)C2)c(C#N)c1CC	ZINC000268250605	426964556	/nfs/dbraw/zinc/96/45/56/426964556.db2.gz	ZGTYIMSXZBMKMO-CQSZACIVSA-N	0	3	313.449	2.538	20	30		DFEDHN
N#Cc1ccc(CNCc2ccccc2Cn2cncn2)s1	ZINC000337804610	426976856	/nfs/dbraw/zinc/97/68/56/426976856.db2.gz	GYUHPPGAEPEFIZ-UHFFFAOYSA-N	0	3	309.398	2.549	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000181939812	426994844	/nfs/dbraw/zinc/99/48/44/426994844.db2.gz	IIBZPSQPRSOJRB-CJNGLKHVSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnc(OC(C)C)c2)CC1	ZINC000268311344	426983223	/nfs/dbraw/zinc/98/32/23/426983223.db2.gz	BTRQIZLHLTZYFO-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)c1ncccc1C#N	ZINC000268315261	426986180	/nfs/dbraw/zinc/98/61/80/426986180.db2.gz	LDZOCMVVTXIWHD-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)N[C@H]2CCCC23CCOCC3)C1	ZINC000328690299	426987125	/nfs/dbraw/zinc/98/71/25/426987125.db2.gz	DHLGSIQSXWJHPU-CVEARBPZSA-N	0	3	323.481	2.571	20	30		DFEDHN
Cc1cc(CNCc2ccccc2Cn2cncn2)ccc1C#N	ZINC000337830991	426990190	/nfs/dbraw/zinc/99/01/90/426990190.db2.gz	ZCMXJXSQTQASIE-UHFFFAOYSA-N	0	3	317.396	2.796	20	30		DFEDHN
Cn1cc(C(=O)NC[C@H]2CCCN2C)c(C2CCCCC2)n1	ZINC000328717249	426991217	/nfs/dbraw/zinc/99/12/17/426991217.db2.gz	FGFIUCHZRXYDII-CQSZACIVSA-N	0	3	304.438	2.867	20	30		DFEDHN
COCCN1CCC(Nc2c(C#N)cnc3ccc(C)cc32)CC1	ZINC000291612518	426928834	/nfs/dbraw/zinc/92/88/34/426928834.db2.gz	JSNVCOMGASOCNW-UHFFFAOYSA-N	0	3	324.428	2.938	20	30		DFEDHN
COc1ccc(CN(CC2CC2)C(=O)C(C)C#N)c(OC)c1	ZINC000337699445	426929883	/nfs/dbraw/zinc/92/98/83/426929883.db2.gz	SLTZXGCPEBYOBX-GFCCVEGCSA-N	0	3	302.374	2.602	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccs1	ZINC000247390664	426932574	/nfs/dbraw/zinc/93/25/74/426932574.db2.gz	LZWCNLTYXBOMEC-TZMCWYRMSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCC[C@H]1CN1CCOCC1	ZINC000247453755	426939845	/nfs/dbraw/zinc/93/98/45/426939845.db2.gz	HRXWFYFUSQHNGA-APWZRJJASA-N	0	3	313.445	2.806	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)NCCc2cccc3[nH]ccc32)C1	ZINC000328731301	426993588	/nfs/dbraw/zinc/99/35/88/426993588.db2.gz	WXAJFDBVJHUIAS-HNNXBMFYSA-N	0	3	314.433	2.698	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2CCCC23CCN(C)CC3)c1C	ZINC000329152603	427055344	/nfs/dbraw/zinc/05/53/44/427055344.db2.gz	TVHCXXSHAPNNKV-UHFFFAOYSA-N	0	3	319.453	2.626	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1	ZINC000248890016	427059146	/nfs/dbraw/zinc/05/91/46/427059146.db2.gz	SOLWQDPLDRAYAX-QRQLOZEOSA-N	0	3	313.445	2.732	20	30		DFEDHN
CCn1nc(C)c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1C	ZINC000329194593	427060997	/nfs/dbraw/zinc/06/09/97/427060997.db2.gz	UUFJNOBOLOCRML-AWEZNQCLSA-N	0	3	304.438	2.841	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(Cl)c(C#N)n2)C[C@@H](C)O1	ZINC000268363912	426999173	/nfs/dbraw/zinc/99/91/73/426999173.db2.gz	XJZGMZFDGFTWEQ-CHWSQXEVSA-N	0	3	322.840	2.908	20	30		DFEDHN
CC(C)[C@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC12CCC2	ZINC000291828009	427001739	/nfs/dbraw/zinc/00/17/39/427001739.db2.gz	CVVFMXUVPDDWSJ-FUHWJXTLSA-N	0	3	314.429	2.808	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CC[C@H](N2CCCCC2)C1	ZINC000337853848	427002665	/nfs/dbraw/zinc/00/26/65/427002665.db2.gz	KKHBFCXDXKJTFS-HNNXBMFYSA-N	0	3	303.454	2.652	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000337855160	427004323	/nfs/dbraw/zinc/00/43/23/427004323.db2.gz	KWTPNHPOHPXKOR-SFHVURJKSA-N	0	3	307.397	2.899	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NCCN(C)Cc1ccccc1	ZINC000337867094	427009487	/nfs/dbraw/zinc/00/94/87/427009487.db2.gz	LJCJNVQXTJRBGE-UHFFFAOYSA-N	0	3	307.397	2.729	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21	ZINC000328909650	427009402	/nfs/dbraw/zinc/00/94/02/427009402.db2.gz	MYNSWGAYVHYVGG-LSDHHAIUSA-N	0	3	303.406	2.996	20	30		DFEDHN
CNC(=O)c1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1	ZINC000328903829	427010209	/nfs/dbraw/zinc/01/02/09/427010209.db2.gz	IKZCLDRNNVKJQK-GDBMZVCRSA-N	0	3	301.390	2.608	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(Cc2ccc(C#N)s2)C1	ZINC000182090816	427011852	/nfs/dbraw/zinc/01/18/52/427011852.db2.gz	JXAODACQXVXNBV-CYBMUJFWSA-N	0	3	300.431	2.808	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337876065	427013061	/nfs/dbraw/zinc/01/30/61/427013061.db2.gz	YUXRRWYRSMDCBP-OAHLLOKOSA-N	0	3	303.454	2.508	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337876064	427013415	/nfs/dbraw/zinc/01/34/15/427013415.db2.gz	YUXRRWYRSMDCBP-HNNXBMFYSA-N	0	3	303.454	2.508	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000329196524	427062014	/nfs/dbraw/zinc/06/20/14/427062014.db2.gz	TUFIVNUXUFXMLI-UICACZKSSA-N	0	3	303.406	2.741	20	30		DFEDHN
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCCN1CCCCC1	ZINC000329017469	427027834	/nfs/dbraw/zinc/02/78/34/427027834.db2.gz	RDBGNKRDKWMQBA-UKRRQHHQSA-N	0	3	324.469	2.510	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000268485542	427030491	/nfs/dbraw/zinc/03/04/91/427030491.db2.gz	PXIBOUHLWBUDMO-ZWKOTPCHSA-N	0	3	316.445	2.598	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)CO[C@H]1CCCc2ccccc21	ZINC000248690983	427032501	/nfs/dbraw/zinc/03/25/01/427032501.db2.gz	AHHAAMGYRYGBQT-HKUYNNGSSA-N	0	3	319.445	2.576	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000268520976	427041298	/nfs/dbraw/zinc/04/12/98/427041298.db2.gz	FSQVDULNYKEWOC-KRWDZBQOSA-N	0	3	317.433	2.600	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000248853867	427053488	/nfs/dbraw/zinc/05/34/88/427053488.db2.gz	PDCGAYYAVUFQHX-KURKYZTESA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCCN(C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1	ZINC000276429877	427064514	/nfs/dbraw/zinc/06/45/14/427064514.db2.gz	NJBGHJUMMRWBIU-UHFFFAOYSA-N	0	3	302.418	2.694	20	30		DFEDHN
N#Cc1csc(CN2C[C@H](CO)[C@H](c3ccsc3)C2)c1	ZINC000190291943	427065003	/nfs/dbraw/zinc/06/50/03/427065003.db2.gz	MSDFLBQDUBKEBE-HIFRSBDPSA-N	0	3	304.440	2.889	20	30		DFEDHN
C[C@@H]1CC[C@H](CN2CCCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000190297999	427066731	/nfs/dbraw/zinc/06/67/31/427066731.db2.gz	NKLSEZSMTZOWIP-VQIMIIECSA-N	0	3	313.445	2.633	20	30		DFEDHN
CN(CCCOc1cccc(C#N)c1)[C@@H](CO)c1ccccc1	ZINC000268625699	427071298	/nfs/dbraw/zinc/07/12/98/427071298.db2.gz	AXGBLJBUBYDMCH-IBGZPJMESA-N	0	3	310.397	2.993	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)C1=CCN(C)CC1	ZINC000329267120	427079413	/nfs/dbraw/zinc/07/94/13/427079413.db2.gz	DCBUPZXBQOUWSK-IMJJTQAJSA-N	0	3	323.481	2.734	20	30		DFEDHN
O=C(CC1CCCC1)NCC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000329292016	427083964	/nfs/dbraw/zinc/08/39/64/427083964.db2.gz	NPNCXCNIKAOWOE-MRXNPFEDSA-N	0	3	321.465	2.610	20	30		DFEDHN
C=CCCN(C)CC(=O)N(CC)Cc1ccc(OC)c(OC)c1	ZINC000276523516	427090914	/nfs/dbraw/zinc/09/09/14/427090914.db2.gz	ZAVUPYGMOWDPBL-UHFFFAOYSA-N	0	3	320.433	2.560	20	30		DFEDHN
C=C(C)[C@H](NCCN1CCO[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000249274062	427101529	/nfs/dbraw/zinc/10/15/29/427101529.db2.gz	KKGCMHDDTOBVLO-DYVFJYSZSA-N	0	3	310.388	2.892	20	30		DFEDHN
Cc1cnccc1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000296189084	427105485	/nfs/dbraw/zinc/10/54/85/427105485.db2.gz	YKAVWDMOYJJUJZ-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000276582226	427106614	/nfs/dbraw/zinc/10/66/14/427106614.db2.gz	BQLZJZYSKGXEFK-SJCJKPOMSA-N	0	3	301.365	2.902	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCn2cncc2C1	ZINC000329393545	427107994	/nfs/dbraw/zinc/10/79/94/427107994.db2.gz	WFUYGLBFNHBAHE-LSDHHAIUSA-N	0	3	304.438	2.667	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)C(C)C	ZINC000329404042	427108936	/nfs/dbraw/zinc/10/89/36/427108936.db2.gz	ZYKSYYBMTWZYGU-CVEARBPZSA-N	0	3	323.481	2.854	20	30		DFEDHN
CC(C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)[C@H]1CCCOC1	ZINC000329412123	427109474	/nfs/dbraw/zinc/10/94/74/427109474.db2.gz	ATAMLNPFXPFAHX-RFGFWPKPSA-N	0	3	317.451	2.504	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H](CO)Cc1ccc(F)cc1	ZINC000276611416	427115428	/nfs/dbraw/zinc/11/54/28/427115428.db2.gz	FMQFSMVPNQIFMO-SFHVURJKSA-N	0	3	313.372	2.531	20	30		DFEDHN
Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000329467243	427122774	/nfs/dbraw/zinc/12/27/74/427122774.db2.gz	WLISWRSLRDWYIE-IINYFYTJSA-N	0	3	320.437	2.513	20	30		DFEDHN
C[C@@H]1Oc2c(cccc2C(=O)NCC2=CCN(C)CC2)NC1=O	ZINC000329214444	427063546	/nfs/dbraw/zinc/06/35/46/427063546.db2.gz	LDRIYJWQGGUKQL-NSHDSACASA-N	0	3	315.373	2.622	20	30		DFEDHN
CN1CC=C(CNC(=O)CSc2nccn2C(C)(C)C)CC1	ZINC000329214290	427063870	/nfs/dbraw/zinc/06/38/70/427063870.db2.gz	KXVDHYOBSDNLMU-UHFFFAOYSA-N	0	3	322.478	2.949	20	30		DFEDHN
C=CCCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000190538084	427132178	/nfs/dbraw/zinc/13/21/78/427132178.db2.gz	JKLHVUROPKJCDD-AWEZNQCLSA-N	0	3	307.463	2.698	20	30		DFEDHN
C[C@](O)(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000329554420	427141313	/nfs/dbraw/zinc/14/13/13/427141313.db2.gz	BEXVQOLAGZJMPG-APWZRJJASA-N	0	3	316.445	2.954	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000268998089	427143619	/nfs/dbraw/zinc/14/36/19/427143619.db2.gz	OHUARHADKOKBAL-AEFFLSMTSA-N	0	3	300.402	2.716	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1	ZINC000268998095	427145164	/nfs/dbraw/zinc/14/51/64/427145164.db2.gz	OHUARHADKOKBAL-WMZOPIPTSA-N	0	3	300.402	2.716	20	30		DFEDHN
Cn1cc(CNC[C@H](c2cccs2)N2CCCC2)cc1C#N	ZINC000190670479	427156444	/nfs/dbraw/zinc/15/64/44/427156444.db2.gz	SFWXOXGQCNKLCB-MRXNPFEDSA-N	0	3	314.458	2.885	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(N2CCOC2=O)c1	ZINC000190880508	271224119	/nfs/dbraw/zinc/22/41/19/271224119.db2.gz	LWPKVGUAOXXAKN-ZDUSSCGKSA-N	0	3	324.384	2.704	20	30		DFEDHN
Cc1nc(N2CC[C@H](N3CCCCC3)C2)c(Cl)cc1C#N	ZINC000292767793	427198130	/nfs/dbraw/zinc/19/81/30/427198130.db2.gz	WNEBRHKOGIHTQP-AWEZNQCLSA-N	0	3	304.825	2.980	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3ccccc3C2)c(F)c1	ZINC000269450061	427199000	/nfs/dbraw/zinc/19/90/00/427199000.db2.gz	VOOQAALPWMMQIQ-UHFFFAOYSA-N	0	3	309.388	2.845	20	30		DFEDHN
Cc1nc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c(Cl)cc1C#N	ZINC000292815034	427201359	/nfs/dbraw/zinc/20/13/59/427201359.db2.gz	ZJUIRHAYVDDDLW-DOMZBBRYSA-N	0	3	304.825	2.836	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N[C@H]3C[C@@H](C)N(C4CC4)C3)c2c1	ZINC000330183327	427204176	/nfs/dbraw/zinc/20/41/76/427204176.db2.gz	PVXPIHAPKGYPTE-HIFRSBDPSA-N	0	3	306.413	2.874	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)C1	ZINC000296517761	427207806	/nfs/dbraw/zinc/20/78/06/427207806.db2.gz	OPFPVBLWDQWHEP-KRWDZBQOSA-N	0	3	316.380	2.647	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1F	ZINC000330370259	427223448	/nfs/dbraw/zinc/22/34/48/427223448.db2.gz	DXXQUFPPFIHRTF-OAHLLOKOSA-N	0	3	308.397	2.532	20	30		DFEDHN
C#CCCCC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC	ZINC000277586943	427251206	/nfs/dbraw/zinc/25/12/06/427251206.db2.gz	ZYARVURJCFVISH-GOSISDBHSA-N	0	3	313.445	2.698	20	30		DFEDHN
C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)(F)F	ZINC000293235345	427255699	/nfs/dbraw/zinc/25/56/99/427255699.db2.gz	KWWFEDOKKNBOKQ-ZDUSSCGKSA-N	0	3	323.387	2.740	20	30		DFEDHN
CC(C)c1nn(C)cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1	ZINC000330565368	427264261	/nfs/dbraw/zinc/26/42/61/427264261.db2.gz	KMGJPJYLPUYQMQ-ZIAGYGMSSA-N	0	3	306.454	2.969	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1	ZINC000330796384	427305164	/nfs/dbraw/zinc/30/51/64/427305164.db2.gz	XOZACLIPHUHUDD-LBPRGKRZSA-N	0	3	301.390	2.600	20	30		DFEDHN
CNC(=O)c1cccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1	ZINC000330880624	427311101	/nfs/dbraw/zinc/31/11/01/427311101.db2.gz	ZBQJBNRVKGEPSB-JKSUJKDBSA-N	0	3	304.434	2.850	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2)cc1C#N	ZINC000191306801	427313987	/nfs/dbraw/zinc/31/39/87/427313987.db2.gz	WMXNFWDCDQGURK-ZDUSSCGKSA-N	0	3	316.355	2.543	20	30		DFEDHN
CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC	ZINC000330915433	427314762	/nfs/dbraw/zinc/31/47/62/427314762.db2.gz	UGIBZNYCJUOBMI-GXTWGEPZSA-N	0	3	306.406	2.881	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@H](CCO)C1CCCCC1	ZINC000183703433	427323023	/nfs/dbraw/zinc/32/30/23/427323023.db2.gz	ANMYHTGSXKJEOP-QGZVFWFLSA-N	0	3	302.418	2.988	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000277811749	427328159	/nfs/dbraw/zinc/32/81/59/427328159.db2.gz	PNDAPVMZXBVYBA-VXGBXAGGSA-N	0	3	317.355	2.935	20	30		DFEDHN
COc1cc(F)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC	ZINC000331018452	427328554	/nfs/dbraw/zinc/32/85/54/427328554.db2.gz	ZKVSIQHUDBRGMP-WDEREUQCSA-N	0	3	310.369	2.630	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](C2(C)OCCO2)C1	ZINC000183824103	427348354	/nfs/dbraw/zinc/34/83/54/427348354.db2.gz	DIQXKYDLHDPMJD-MRXNPFEDSA-N	0	3	316.401	2.542	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(C#N)ccc1F	ZINC000270412351	427348560	/nfs/dbraw/zinc/34/85/60/427348560.db2.gz	DOYRVAUWUYUPGS-WMLDXEAASA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C#N)o1	ZINC000277878610	427349433	/nfs/dbraw/zinc/34/94/33/427349433.db2.gz	NXRDKFJCIDMSOV-SWLSCSKDSA-N	0	3	319.405	2.886	20	30		DFEDHN
N#Cc1ccnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000277892528	427350063	/nfs/dbraw/zinc/35/00/63/427350063.db2.gz	NRXNBMXWTMHUCI-QGZVFWFLSA-N	0	3	320.396	2.804	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)NCCN2CCCC[C@@H]2C)cc1C	ZINC000330679493	427290787	/nfs/dbraw/zinc/29/07/87/427290787.db2.gz	DPGDUZMGZRMVQC-KBPBESRZSA-N	0	3	321.469	3.363	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1F	ZINC000330673165	427290983	/nfs/dbraw/zinc/29/09/83/427290983.db2.gz	OYQKHZBPMADMLW-RHSMWYFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
CC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CCOCC1	ZINC000330694722	427292725	/nfs/dbraw/zinc/29/27/25/427292725.db2.gz	TVDBLVFJURSMCN-OAHLLOKOSA-N	0	3	319.405	2.501	20	30		DFEDHN
CCc1nnc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[n-]1	ZINC000285963771	427388453	/nfs/dbraw/zinc/38/84/53/427388453.db2.gz	FPHZUFZJSDXCTP-ZDUSSCGKSA-N	0	3	324.432	2.558	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1Cl	ZINC000331299591	427395272	/nfs/dbraw/zinc/39/52/72/427395272.db2.gz	DPVTZQKFHPNKMS-CQSZACIVSA-N	0	3	310.825	2.800	20	30		DFEDHN
COc1cc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC	ZINC000331323384	427400284	/nfs/dbraw/zinc/40/02/84/427400284.db2.gz	MCCKFNJCRMKMJB-CHWSQXEVSA-N	0	3	306.406	2.800	20	30		DFEDHN
Cc1cc(C)c(NC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)n1	ZINC000331352970	427401385	/nfs/dbraw/zinc/40/13/85/427401385.db2.gz	ZSWZIAKXTGGOOY-CYBMUJFWSA-N	0	3	302.422	2.983	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1ccc(C)s1)C(C)C	ZINC000297577771	427413444	/nfs/dbraw/zinc/41/34/44/427413444.db2.gz	TXLLHOGEDGTNPF-UHFFFAOYSA-N	0	3	321.490	2.932	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)c1ncc(Br)cc1C#N	ZINC000297642117	427417948	/nfs/dbraw/zinc/41/79/48/427417948.db2.gz	XXGLCUXZGBRXSG-ZDUSSCGKSA-N	0	3	323.238	2.636	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccccc1	ZINC000270440318	427359213	/nfs/dbraw/zinc/35/92/13/427359213.db2.gz	QQLYDVLRVQRCNC-GOSISDBHSA-N	0	3	313.445	2.734	20	30		DFEDHN
C=CCc1cc(CN2CCN(C3CCC3)CC2)cc(OC)c1O	ZINC000271207613	427449384	/nfs/dbraw/zinc/44/93/84/427449384.db2.gz	WYEPGPQAFPIMRG-UHFFFAOYSA-N	0	3	316.445	2.799	20	30		DFEDHN
C=CCc1cc(CN2CCC(O)(CC)CC2)cc(OC)c1O	ZINC000271215351	427456703	/nfs/dbraw/zinc/45/67/03/427456703.db2.gz	WKJBWJJTIQVXHS-UHFFFAOYSA-N	0	3	305.418	2.866	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)/C=C/c3cccc(C#N)c3)C2)C1	ZINC000293837624	427456761	/nfs/dbraw/zinc/45/67/61/427456761.db2.gz	CHJADNJAJHIUMV-GHOSXJJBSA-N	0	3	309.413	2.516	20	30		DFEDHN
N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN2C2CCCC2)c1	ZINC000331629692	427462983	/nfs/dbraw/zinc/46/29/83/427462983.db2.gz	PZQDLRJILQCYGF-QGZVFWFLSA-N	0	3	315.392	2.721	20	30		DFEDHN
C=C(C)Cn1c(CCC(C)C)nnc1N1CCN2CCC[C@@H]2C1	ZINC000338802285	427496204	/nfs/dbraw/zinc/49/62/04/427496204.db2.gz	AIENJXVSTUZVEC-MRXNPFEDSA-N	0	3	317.481	2.727	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@H](CO)c3ccccc3)CC2)cc1	ZINC000286358650	427501240	/nfs/dbraw/zinc/50/12/40/427501240.db2.gz	ZCFSLQPNNITDRF-HXUWFJFHSA-N	0	3	321.424	2.850	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000298017134	427503134	/nfs/dbraw/zinc/50/31/34/427503134.db2.gz	RCDMBABTCVGERW-WMZOPIPTSA-N	0	3	313.445	2.704	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000286367605	427503910	/nfs/dbraw/zinc/50/39/10/427503910.db2.gz	YMZCUPVTHRHVMW-LSDHHAIUSA-N	0	3	303.431	2.761	20	30		DFEDHN
N#Cc1nccnc1NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000263929314	427613205	/nfs/dbraw/zinc/61/32/05/427613205.db2.gz	WEHKEVHXJNNGLC-ZDUSSCGKSA-N	0	3	313.430	2.734	20	30		DFEDHN
C=CCC[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)C1CC1	ZINC000272069569	427621666	/nfs/dbraw/zinc/62/16/66/427621666.db2.gz	JPUHCEPKQUHZKR-GXTWGEPZSA-N	0	3	317.355	2.504	20	30		DFEDHN
N#Cc1nccnc1NC[C@H]1CCCCN1Cc1ccccc1	ZINC000263756019	427559924	/nfs/dbraw/zinc/55/99/24/427559924.db2.gz	FVAMGRCNUGVMFN-MRXNPFEDSA-N	0	3	307.401	2.815	20	30		DFEDHN
CC(C)[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000185006475	427576651	/nfs/dbraw/zinc/57/66/51/427576651.db2.gz	DXOUWVGDRXZDKU-ZWKOTPCHSA-N	0	3	313.445	2.741	20	30		DFEDHN
C=CCC[C@H](CCC)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F	ZINC000272077632	427625435	/nfs/dbraw/zinc/62/54/35/427625435.db2.gz	KJOONBIKEULUMH-GXTWGEPZSA-N	0	3	319.371	2.895	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc3c2OCC3(C)C)CC1	ZINC000279312420	427633848	/nfs/dbraw/zinc/63/38/48/427633848.db2.gz	WOYVUBKSZJHKAC-UHFFFAOYSA-N	0	3	314.429	2.737	20	30		DFEDHN
C=CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000279408289	427665118	/nfs/dbraw/zinc/66/51/18/427665118.db2.gz	XCIRJKAJWJMGPS-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000279435315	427671320	/nfs/dbraw/zinc/67/13/20/427671320.db2.gz	MTYOQJKHXCKJDI-KBXCAEBGSA-N	0	3	304.434	2.559	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc(C)on1)CCc1ccco1	ZINC000272227663	427678312	/nfs/dbraw/zinc/67/83/12/427678312.db2.gz	DEBGPEXWXJFVBF-UHFFFAOYSA-N	0	3	303.362	2.635	20	30		DFEDHN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@H]1CC[C@@H](C#N)C1	ZINC000339111582	427678704	/nfs/dbraw/zinc/67/87/04/427678704.db2.gz	UOBFHCFJUNARGJ-QPSCCSFWSA-N	0	3	322.453	2.680	20	30		DFEDHN
CO[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C	ZINC000272236378	427680510	/nfs/dbraw/zinc/68/05/10/427680510.db2.gz	GJKJMYGIJTWWTD-QGZVFWFLSA-N	0	3	312.417	2.719	20	30		DFEDHN
CO[C@H]1C[C@H](CO)N(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000344731972	272362680	/nfs/dbraw/zinc/36/26/80/272362680.db2.gz	VWUBUHDQUKGSMP-MOPGFXCFSA-N	0	3	322.408	2.807	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[C@@H](C#N)C1	ZINC000339190775	427723176	/nfs/dbraw/zinc/72/31/76/427723176.db2.gz	PZBNXHHOBUZTMH-OQIJWPOYSA-N	0	3	313.445	2.682	20	30		DFEDHN
C=CC[N@@H+](CCc1ccco1)Cc1cc2c(cc1[O-])OCO2	ZINC000272278897	427695067	/nfs/dbraw/zinc/69/50/67/427695067.db2.gz	OIURGFODNPQJNE-UHFFFAOYSA-N	0	3	301.342	2.945	20	30		DFEDHN
C=CC[N@H+](CCc1ccco1)Cc1cc2c(cc1[O-])OCO2	ZINC000272278897	427695072	/nfs/dbraw/zinc/69/50/72/427695072.db2.gz	OIURGFODNPQJNE-UHFFFAOYSA-N	0	3	301.342	2.945	20	30		DFEDHN
O=C(C#Cc1ccccc1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000193770075	427711651	/nfs/dbraw/zinc/71/16/51/427711651.db2.gz	VCXDDMBZEYWYMT-FQEVSTJZSA-N	0	3	318.420	2.676	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1	ZINC000299143629	427755479	/nfs/dbraw/zinc/75/54/79/427755479.db2.gz	JTNRZXVVZCXTSU-LJQANCHMSA-N	0	3	310.441	2.908	20	30		DFEDHN
C=CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000299644394	427766418	/nfs/dbraw/zinc/76/64/18/427766418.db2.gz	VSOLEROMEKYCGF-HNNXBMFYSA-N	0	3	312.335	2.743	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C(=O)NCC)C(C)C)cc1OC	ZINC000339432413	427774027	/nfs/dbraw/zinc/77/40/27/427774027.db2.gz	DITDCSWNJIUNFZ-QGZVFWFLSA-N	0	3	320.433	2.510	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)NCCCC#N)[C@H]1c1cccs1	ZINC000334035909	427732011	/nfs/dbraw/zinc/73/20/11/427732011.db2.gz	AFPHPVBOMYKMHZ-ZFWWWQNUSA-N	0	3	320.462	2.734	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccco2)C1	ZINC000339225962	427736954	/nfs/dbraw/zinc/73/69/54/427736954.db2.gz	RDXUYRBKURHHJC-SJLPKXTDSA-N	0	3	324.380	2.952	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@]1(C)Cc1ccccc1	ZINC000186057446	427743435	/nfs/dbraw/zinc/74/34/35/427743435.db2.gz	HWQHMYSISFWXQT-IBGZPJMESA-N	0	3	313.445	2.846	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)cc1	ZINC000299130370	427753353	/nfs/dbraw/zinc/75/33/53/427753353.db2.gz	ICOOFPJJWOFRAY-KBPBESRZSA-N	0	3	300.406	2.800	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccc(Cl)cc2)C1=O	ZINC000337189193	427812705	/nfs/dbraw/zinc/81/27/05/427812705.db2.gz	QZGUWARZPLAADO-CJNGLKHVSA-N	0	3	306.837	2.990	20	30		DFEDHN
N#CC1(CCCN2CCOC[C@H]2CC2CCC2)CCOCC1	ZINC000339773316	427826690	/nfs/dbraw/zinc/82/66/90/427826690.db2.gz	VYPYDNGMVCGSFD-QGZVFWFLSA-N	0	3	306.450	2.978	20	30		DFEDHN
CN(C)CCOc1cc(CNc2cccc(F)c2C#N)ccn1	ZINC000301895603	427834070	/nfs/dbraw/zinc/83/40/70/427834070.db2.gz	UDOPGNVWKOQLGO-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
CCCN(C)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000355637161	427835853	/nfs/dbraw/zinc/83/58/53/427835853.db2.gz	LJKKLKCHHZCXRZ-ZDUSSCGKSA-N	0	3	313.323	2.728	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000355677449	427846226	/nfs/dbraw/zinc/84/62/26/427846226.db2.gz	SGWRIVSKXJVEOY-UHFFFAOYSA-N	0	3	301.434	2.902	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000349836352	427875094	/nfs/dbraw/zinc/87/50/94/427875094.db2.gz	RZPRMPSFABPMHH-NEPJUHHUSA-N	0	3	306.797	2.508	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000339940259	427878807	/nfs/dbraw/zinc/87/88/07/427878807.db2.gz	XIJGFELPRLAHGJ-WMLDXEAASA-N	0	3	321.380	2.512	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000350728307	427967295	/nfs/dbraw/zinc/96/72/95/427967295.db2.gz	BJCBPGHRJYFBDD-CABCVRRESA-N	0	3	319.497	2.972	20	30		DFEDHN
CN(C)CCN(Cc1cccc(F)c1)c1ncc(C#N)cc1F	ZINC000413191115	427986288	/nfs/dbraw/zinc/98/62/88/427986288.db2.gz	KWXGTHQRBMBDLT-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCCc2cccc(C#N)c2)c1	ZINC000340106617	427927314	/nfs/dbraw/zinc/92/73/14/427927314.db2.gz	QQCHIGZPROJLLP-UHFFFAOYSA-N	0	3	307.397	2.592	20	30		DFEDHN
COc1cc(CN(C)C(=O)C(C)C#N)c(SC)cc1OC	ZINC000355867045	427928769	/nfs/dbraw/zinc/92/87/69/427928769.db2.gz	SCXDUIJFELIWGC-SNVBAGLBSA-N	0	3	308.403	2.544	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCCC2)C[C@@H]1c1ccccc1	ZINC000355895537	427939872	/nfs/dbraw/zinc/93/98/72/427939872.db2.gz	VWAQXSXMYWFPCA-GUDVDZBRSA-N	0	3	323.440	2.627	20	30		DFEDHN
CNC(=O)CCCN(C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000356110914	428025967	/nfs/dbraw/zinc/02/59/67/428025967.db2.gz	MQNBBZOEEWJDNA-UHFFFAOYSA-N	0	3	313.323	2.535	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(C)nn(Cc2ccccc2)c1C	ZINC000341326443	428034079	/nfs/dbraw/zinc/03/40/79/428034079.db2.gz	XEVJSJBEUPKRAY-GOSISDBHSA-N	0	3	313.445	2.822	20	30		DFEDHN
C[C@@H]1CN(C2CCOCC2)CCN1CCCCC(C)(C)C#N	ZINC000369735793	428049573	/nfs/dbraw/zinc/04/95/73/428049573.db2.gz	JPRLNIXOXJVTMM-MRXNPFEDSA-N	0	3	307.482	2.892	20	30		DFEDHN
N#Cc1ccc(CN2CCC(CCN3CCOCC3)CC2)s1	ZINC000359883930	428059672	/nfs/dbraw/zinc/05/96/72/428059672.db2.gz	XWRXYQBLPUYSQY-UHFFFAOYSA-N	0	3	319.474	2.554	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413256613	428001769	/nfs/dbraw/zinc/00/17/69/428001769.db2.gz	CZYZNAAYHHYPNB-MRXNPFEDSA-N	0	3	302.378	2.551	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccs1	ZINC000369570255	428004005	/nfs/dbraw/zinc/00/40/05/428004005.db2.gz	QLHCFQKUAFSWSX-GXTWGEPZSA-N	0	3	303.431	2.551	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C2(C#N)CCCC2)[C@H]1c1cccs1	ZINC000369571692	428005380	/nfs/dbraw/zinc/00/53/80/428005380.db2.gz	YCLXRSKCANWQLY-ZFWWWQNUSA-N	0	3	317.458	2.941	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H](c3ccccc3)[C@@H]2C)CC1	ZINC000369831564	428070781	/nfs/dbraw/zinc/07/07/81/428070781.db2.gz	QPRYWOCPNRDHBE-ZYSHUDEJSA-N	0	3	310.441	2.640	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)C1	ZINC000356221374	428074424	/nfs/dbraw/zinc/07/44/24/428074424.db2.gz	BMFANAPKSDWZNF-LJQANCHMSA-N	0	3	323.440	2.534	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000369875108	428080164	/nfs/dbraw/zinc/08/01/64/428080164.db2.gz	RPWPPXNNGYGYCL-LTIDMASMSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](N3CCOCC3)[C@H]2C)cc1	ZINC000356256545	428091808	/nfs/dbraw/zinc/09/18/08/428091808.db2.gz	JVNJPFMFFSXXNJ-APWZRJJASA-N	0	3	316.445	2.546	20	30		DFEDHN
C#CCCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000369990933	428103830	/nfs/dbraw/zinc/10/38/30/428103830.db2.gz	KYZLNPFVPHDMQZ-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000413828375	428144090	/nfs/dbraw/zinc/14/40/90/428144090.db2.gz	UTNLVOYHDXELGT-QZTJIDSGSA-N	0	3	313.445	2.663	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1	ZINC000341659809	428145169	/nfs/dbraw/zinc/14/51/69/428145169.db2.gz	JSHRVZWNPMSMKP-HNNXBMFYSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC)C1	ZINC000413845436	428152715	/nfs/dbraw/zinc/15/27/15/428152715.db2.gz	RZTUGELXCTULAB-QGZVFWFLSA-N	0	3	301.434	2.521	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(OCCN(C)C)cc1F	ZINC000413901620	428162974	/nfs/dbraw/zinc/16/29/74/428162974.db2.gz	NBQJZOBXGGISPF-UHFFFAOYSA-N	0	3	306.381	2.898	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F	ZINC000413903975	428165045	/nfs/dbraw/zinc/16/50/45/428165045.db2.gz	SEISNTQUSHOBPO-CYBMUJFWSA-N	0	3	324.396	2.686	20	30		DFEDHN
CC(C)(C)C[C@H](O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000346438479	428171025	/nfs/dbraw/zinc/17/10/25/428171025.db2.gz	QDMMQIRTOBBYIB-HOTGVXAUSA-N	0	3	302.418	2.672	20	30		DFEDHN
CC(C)(C)C[C@H](O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000346438477	428172107	/nfs/dbraw/zinc/17/21/07/428172107.db2.gz	QDMMQIRTOBBYIB-CVEARBPZSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=CCOCCCN(C)C[C@H]1OCCN(C)[C@@H]1c1ccccc1	ZINC000346454322	428178959	/nfs/dbraw/zinc/17/89/59/428178959.db2.gz	DMWJXSVQGVDDBZ-RTBURBONSA-N	0	3	318.461	2.583	20	30		DFEDHN
COC[C@]1(CNCc2cccc(C#N)c2)OCCc2ccccc21	ZINC000377731572	428212548	/nfs/dbraw/zinc/21/25/48/428212548.db2.gz	GBDUSUBRJRNKME-FQEVSTJZSA-N	0	3	322.408	2.762	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1cccs1)C1CC1	ZINC000341843269	428225666	/nfs/dbraw/zinc/22/56/66/428225666.db2.gz	MPJVURSCJIQTLB-HOTGVXAUSA-N	0	3	305.447	2.843	20	30		DFEDHN
C=CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](OC)CN1C)c1ccccc1	ZINC000346697704	428280193	/nfs/dbraw/zinc/28/01/93/428280193.db2.gz	GDZWBWRPBYTTHX-KURKYZTESA-N	0	3	316.445	2.524	20	30		DFEDHN
C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)C1=CCN(C)CC1	ZINC000356748869	428292489	/nfs/dbraw/zinc/29/24/89/428292489.db2.gz	VNYCUOJDGITBQL-YJBOKZPZSA-N	0	3	311.429	2.841	20	30		DFEDHN
C=CC[C@H](CO)CN[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000341892991	428243760	/nfs/dbraw/zinc/24/37/60/428243760.db2.gz	XMRCACPFPMFFBI-OLZOCXBDSA-N	0	3	320.824	2.756	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000370607119	428251058	/nfs/dbraw/zinc/25/10/58/428251058.db2.gz	UFOSWDJCBIZUGQ-CRAIPNDOSA-N	0	3	324.465	2.789	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn(CC(C)C)c2C)CC1	ZINC000346745846	428299107	/nfs/dbraw/zinc/29/91/07/428299107.db2.gz	CEDUVTBQAXKKNS-UHFFFAOYSA-N	0	3	319.453	2.619	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCCCN2Cc2ccccc2)ccn1	ZINC000341939191	428256599	/nfs/dbraw/zinc/25/65/99/428256599.db2.gz	YZDKUROWQKDLGR-IBGZPJMESA-N	0	3	306.413	2.842	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cccc(C#N)c3F)C[C@@H]1CCCC2	ZINC000342124484	428310288	/nfs/dbraw/zinc/31/02/88/428310288.db2.gz	PAJKBAZXWVQVLT-MAUKXSAKSA-N	0	3	316.376	2.863	20	30		DFEDHN
CC1=CCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000356800227	428313348	/nfs/dbraw/zinc/31/33/48/428313348.db2.gz	FOJAGOACPZIASG-SFHVURJKSA-N	0	3	311.429	2.842	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000346790176	428317456	/nfs/dbraw/zinc/31/74/56/428317456.db2.gz	XNXRPKVOEFCRGR-DLBZAZTESA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000371655023	428397681	/nfs/dbraw/zinc/39/76/81/428397681.db2.gz	XXOJBIFVKLEUBR-NVXWUHKLSA-N	0	3	316.449	2.557	20	30		DFEDHN
C=CCOCCNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000371637056	428398330	/nfs/dbraw/zinc/39/83/30/428398330.db2.gz	GAFUPZJAIRHIRT-UHFFFAOYSA-N	0	3	310.401	2.756	20	30		DFEDHN
COC(=O)C[C@](C)(NCCCSCC#N)c1cccc(F)c1	ZINC000353140966	428401209	/nfs/dbraw/zinc/40/12/09/428401209.db2.gz	BVVVJVIBGAHTMG-INIZCTEOSA-N	0	3	324.421	2.840	20	30		DFEDHN
COc1cc(CNC[C@](C)(CO)c2ccccc2)ccc1C#N	ZINC000342245207	428367704	/nfs/dbraw/zinc/36/77/04/428367704.db2.gz	ZAGQZCHCAFLCEU-LJQANCHMSA-N	0	3	310.397	2.607	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000298437331	273727835	/nfs/dbraw/zinc/72/78/35/273727835.db2.gz	GUKKYLPRYHHWKU-KWCYVHTRSA-N	0	3	303.431	2.893	20	30		DFEDHN
C[C@H](CN1CCCC1=O)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360654971	428385440	/nfs/dbraw/zinc/38/54/40/428385440.db2.gz	BAKKVVOXMSLLHZ-RDTXWAMCSA-N	0	3	311.429	2.926	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(C(=O)c2ccccn2)CC1	ZINC000371403890	428387738	/nfs/dbraw/zinc/38/77/38/428387738.db2.gz	DKBVKGKGFXAUAA-UHFFFAOYSA-N	0	3	314.433	2.559	20	30		DFEDHN
CN(CC[C@H]1CCCO1)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000342587668	428433805	/nfs/dbraw/zinc/43/38/05/428433805.db2.gz	KVBJTTZCSUEMAC-GOSISDBHSA-N	0	3	324.428	2.960	20	30		DFEDHN
COc1cccc(Oc2ccc(CNC(=O)C(C)C#N)cn2)c1	ZINC000347074580	428435079	/nfs/dbraw/zinc/43/50/79/428435079.db2.gz	RRODBKWVRINCIN-LBPRGKRZSA-N	0	3	311.341	2.658	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000342746244	428444156	/nfs/dbraw/zinc/44/41/56/428444156.db2.gz	FUQZDFQTJYAALA-HKUYNNGSSA-N	0	3	323.440	2.728	20	30		DFEDHN
CCOC(=O)c1sc2ccsc2c1CNC(=O)C(C)C#N	ZINC000347107203	428449327	/nfs/dbraw/zinc/44/93/27/428449327.db2.gz	MSYQMFJFQAQMBA-QMMMGPOBSA-N	0	3	322.411	2.915	20	30		DFEDHN
Cc1noc(C)c1C[C@H](C)NCc1cnc2ccc(C#N)cn12	ZINC000342768786	428449723	/nfs/dbraw/zinc/44/97/23/428449723.db2.gz	NJSZZLSFWBAOEC-NSHDSACASA-N	0	3	309.373	2.532	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1	ZINC000357255640	428456213	/nfs/dbraw/zinc/45/62/13/428456213.db2.gz	LWJDZBRXAXABTN-LJQANCHMSA-N	0	3	322.408	2.868	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1	ZINC000347120172	428457108	/nfs/dbraw/zinc/45/71/08/428457108.db2.gz	XJHDFPVPMUMCNL-JVWICGRDSA-N	0	3	301.390	2.815	20	30		DFEDHN
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(C)C#N)C1	ZINC000347136006	428463921	/nfs/dbraw/zinc/46/39/21/428463921.db2.gz	NMGGULMVPXYEPU-STQMWFEESA-N	0	3	305.809	2.751	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)CC2	ZINC000353279238	428465042	/nfs/dbraw/zinc/46/50/42/428465042.db2.gz	VEGQELFAPLWKED-MJGOQNOKSA-N	0	3	310.372	2.878	20	30		DFEDHN
C[C@@H]1[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CCCN1C	ZINC000342837072	428466234	/nfs/dbraw/zinc/46/62/34/428466234.db2.gz	VTXQIRPZTGBIKP-ZYHUDNBSSA-N	0	3	303.797	2.754	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(SCC#N)c1	ZINC000342463605	428428701	/nfs/dbraw/zinc/42/87/01/428428701.db2.gz	CRCNXQHUBQZZQX-MLGOLLRUSA-N	0	3	315.442	2.515	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCCO1)C(C)C	ZINC000342900101	428484952	/nfs/dbraw/zinc/48/49/52/428484952.db2.gz	YWJFHTVSSCHSAC-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCc1cc(CN(C)[C@@H]2CCN(C3CC3)C2)cc(OC)c1O	ZINC000353331829	428489858	/nfs/dbraw/zinc/48/98/58/428489858.db2.gz	WPLCVKXPZRJCMM-QGZVFWFLSA-N	0	3	316.445	2.798	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000347201395	428491518	/nfs/dbraw/zinc/49/15/18/428491518.db2.gz	DXLTUTMZFYCROQ-UHFFFAOYSA-N	0	3	314.345	2.628	20	30		DFEDHN
N#CCCCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000372847696	428502676	/nfs/dbraw/zinc/50/26/76/428502676.db2.gz	OMJVNKUETYEDCJ-RHSMWYFYSA-N	0	3	300.406	2.679	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C[C@H]21	ZINC000372984199	428511172	/nfs/dbraw/zinc/51/11/72/428511172.db2.gz	UUXSMVLQJNSJQH-KZNAEPCWSA-N	0	3	311.429	2.627	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)CC1CCCCC1	ZINC000347260721	428517185	/nfs/dbraw/zinc/51/71/85/428517185.db2.gz	ZFPJDRNDWMDJHO-MRXNPFEDSA-N	0	3	310.482	2.938	20	30		DFEDHN
C=CCC[C@@H](NCCCN(C)S(=O)(=O)CC)c1ccco1	ZINC000353395977	428518495	/nfs/dbraw/zinc/51/84/95/428518495.db2.gz	SEYPZOGRZPQZCQ-CQSZACIVSA-N	0	3	314.451	2.548	20	30		DFEDHN
CC(C#N)C(=O)NCCc1ccc(Br)cc1Cl	ZINC000360986653	428527327	/nfs/dbraw/zinc/52/73/27/428527327.db2.gz	VJLSEHCZWHPRLE-QMMMGPOBSA-N	0	3	315.598	2.921	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)c1nc2ccccc2n1C(F)F)C1CC1	ZINC000358095260	428581652	/nfs/dbraw/zinc/58/16/52/428581652.db2.gz	KLWPYJASMJKEAF-MWLCHTKSSA-N	0	3	318.327	2.953	20	30		DFEDHN
CN(CCN(C)C1CC1)c1cccc(Br)c1C#N	ZINC000357441889	428537706	/nfs/dbraw/zinc/53/77/06/428537706.db2.gz	OUNOMGRZBAKKNF-UHFFFAOYSA-N	0	3	308.223	2.851	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNC(=O)c1cscc1C#N	ZINC000343339077	428545417	/nfs/dbraw/zinc/54/54/17/428545417.db2.gz	KXAIQOQNSUQCAT-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@]1(C)CCCOC1)C(C)C	ZINC000357569900	428549361	/nfs/dbraw/zinc/54/93/61/428549361.db2.gz	MDADLLSEDLGBDU-AEFFLSMTSA-N	0	3	323.481	2.553	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2cc[nH]c2n1	ZINC000347332735	428550172	/nfs/dbraw/zinc/55/01/72/428550172.db2.gz	OUTBCWQDUYSUHM-LBPRGKRZSA-N	0	3	315.336	2.940	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000358307922	428594059	/nfs/dbraw/zinc/59/40/59/428594059.db2.gz	LDMMGLRCVJQXSP-WRWORJQWSA-N	0	3	320.698	2.668	20	30		DFEDHN
C=CCC1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CCC1	ZINC000357780874	428562461	/nfs/dbraw/zinc/56/24/61/428562461.db2.gz	RDHUISCUWRHVKU-KRWDZBQOSA-N	0	3	320.477	2.836	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1	ZINC000357831092	428565642	/nfs/dbraw/zinc/56/56/42/428565642.db2.gz	OJTYGTLZNYEJHX-SMDDNHRTSA-N	0	3	323.799	2.892	20	30		DFEDHN
C=CCN(Cc1cccn1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000353505103	428566632	/nfs/dbraw/zinc/56/66/32/428566632.db2.gz	VATCSLLUWNELQA-HNNXBMFYSA-N	0	3	322.416	2.750	20	30		DFEDHN
CC#CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000361453202	428570512	/nfs/dbraw/zinc/57/05/12/428570512.db2.gz	CIECHKHDQYOSIY-INIZCTEOSA-N	0	3	313.445	2.925	20	30		DFEDHN
CC(C)(C)OC(=O)NCCCNCc1ccc(C#N)c(F)c1	ZINC000404599165	428571456	/nfs/dbraw/zinc/57/14/56/428571456.db2.gz	GRPBJMGFHOAYDH-UHFFFAOYSA-N	0	3	307.369	2.702	20	30		DFEDHN
COc1ccc(CN(CCc2ccccn2)C(=O)C(C)C#N)cc1	ZINC000358017747	428576801	/nfs/dbraw/zinc/57/68/01/428576801.db2.gz	PEGACDWQBYVRDU-HNNXBMFYSA-N	0	3	323.396	2.821	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CCC(C)(C)C#N)on1	ZINC000373439711	428577237	/nfs/dbraw/zinc/57/72/37/428577237.db2.gz	JBYRCERHYAASDT-GJZGRUSLSA-N	0	3	322.428	2.767	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)cc1	ZINC000344018742	428608943	/nfs/dbraw/zinc/60/89/43/428608943.db2.gz	UOFVBXVZRFDONB-KRWDZBQOSA-N	0	3	307.401	2.692	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCC(=O)OC(C)(C)C	ZINC000344073799	428622407	/nfs/dbraw/zinc/62/24/07/428622407.db2.gz	PXQGDPVLWVBDSE-UHFFFAOYSA-N	0	3	318.417	2.738	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1C#N	ZINC000373634173	428625082	/nfs/dbraw/zinc/62/50/82/428625082.db2.gz	MNIVNTUSRZVSAF-CRAIPNDOSA-N	0	3	308.381	2.877	20	30		DFEDHN
C=CC1CCN(C(=O)c2ccccc2OCCN(C)C)CC1	ZINC000347833807	428626761	/nfs/dbraw/zinc/62/67/61/428626761.db2.gz	PRJXUHNYHRREFF-UHFFFAOYSA-N	0	3	302.418	2.665	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2CCO[C@H]2c2cccnc2)ccc1C#N	ZINC000344300696	428628877	/nfs/dbraw/zinc/62/88/77/428628877.db2.gz	PWEMZZFBROFJGY-MJGOQNOKSA-N	0	3	323.396	2.924	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1	ZINC000353640605	428633098	/nfs/dbraw/zinc/63/30/98/428633098.db2.gz	BALHMSBIZGRHDX-AAEUAGOBSA-N	0	3	321.218	3.000	20	30		DFEDHN
Cc1noc(CCCN2CC=C(c3ccc(C#N)cc3)CC2)n1	ZINC000347975626	428633226	/nfs/dbraw/zinc/63/32/26/428633226.db2.gz	VZMUWELRSGBXRK-UHFFFAOYSA-N	0	3	308.385	2.972	20	30		DFEDHN
COC[C@@]1(CNCc2cccc(C#N)c2)OCCc2ccccc21	ZINC000377731573	274047320	/nfs/dbraw/zinc/04/73/20/274047320.db2.gz	GBDUSUBRJRNKME-HXUWFJFHSA-N	0	3	322.408	2.762	20	30		DFEDHN
Cc1ncsc1CN1C[C@H](F)C[C@@H]1CN(C)CCCC#N	ZINC000348183203	428643943	/nfs/dbraw/zinc/64/39/43/428643943.db2.gz	SUIFMJMXNZKDTD-ZIAGYGMSSA-N	0	3	310.442	2.600	20	30		DFEDHN
Cc1nc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348192819	428650154	/nfs/dbraw/zinc/65/01/54/428650154.db2.gz	JLMXFHYRXHXYDG-OAHLLOKOSA-N	0	3	324.409	2.664	20	30		DFEDHN
Cc1nc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348192818	428650516	/nfs/dbraw/zinc/65/05/16/428650516.db2.gz	JLMXFHYRXHXYDG-HNNXBMFYSA-N	0	3	324.409	2.664	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000344457917	428650644	/nfs/dbraw/zinc/65/06/44/428650644.db2.gz	JIISWDYLFJFUBP-NOXHYTERSA-N	0	3	315.417	2.534	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3cccc(C)c3)C2)CC1	ZINC000373776608	428647655	/nfs/dbraw/zinc/64/76/55/428647655.db2.gz	HXZJTJUCTQJRAJ-WGSAOQKQSA-N	0	3	310.441	2.702	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353568799	274218464	/nfs/dbraw/zinc/21/84/64/274218464.db2.gz	BMSMSTIHFIIXBV-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000373991176	428660918	/nfs/dbraw/zinc/66/09/18/428660918.db2.gz	STNKPIJLONMPRL-QFBILLFUSA-N	0	3	313.445	2.610	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@H](CCO)C2)c(-c2ccccc2)n1	ZINC000353710903	428671342	/nfs/dbraw/zinc/67/13/42/428671342.db2.gz	UJVQIYVWGYPEJH-MRXNPFEDSA-N	0	3	324.428	2.668	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCOC)C[C@H]1CC=CCC1	ZINC000362243882	428673393	/nfs/dbraw/zinc/67/33/93/428673393.db2.gz	GGQPTTFUPPSWFY-KRWDZBQOSA-N	0	3	308.466	2.716	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCC#Cc1cccc(F)c1)c1ccccc1	ZINC000416243615	428698664	/nfs/dbraw/zinc/69/86/64/428698664.db2.gz	PDBRJZYCHSDYFM-LJQANCHMSA-N	0	3	324.399	2.986	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@H](c2ccc(C)cc2C)C1	ZINC000348304253	428699282	/nfs/dbraw/zinc/69/92/82/428699282.db2.gz	GSSKEEPFIKPLEQ-KRWDZBQOSA-N	0	3	313.445	2.855	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)CCN2CCc3ccccc3C2)C1	ZINC000416249347	428699392	/nfs/dbraw/zinc/69/93/92/428699392.db2.gz	XFGVEOQCWBSESW-YJBOKZPZSA-N	0	3	311.429	2.633	20	30		DFEDHN
C=CCCCC(=O)Nc1ccnc(OC2CCN(C)CC2)c1	ZINC000374581518	428703799	/nfs/dbraw/zinc/70/37/99/428703799.db2.gz	AFDXFHYNIYZXTP-UHFFFAOYSA-N	0	3	303.406	2.849	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NCC1(N(C)C)CC1	ZINC000416309018	428716188	/nfs/dbraw/zinc/71/61/88/428716188.db2.gz	TZVWGYCPCMMJAE-UHFFFAOYSA-N	0	3	313.426	2.905	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)CN1[C@H](C)CC[C@H]1C	ZINC000344946594	428727359	/nfs/dbraw/zinc/72/73/59/428727359.db2.gz	XCYULGCJNAPGCD-HZPDHXFCSA-N	0	3	311.429	2.946	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000358800434	428680619	/nfs/dbraw/zinc/68/06/19/428680619.db2.gz	BNKADNFXMQZLRP-HOTGVXAUSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000358803423	428684406	/nfs/dbraw/zinc/68/44/06/428684406.db2.gz	GJXAIYCELXOFEF-LSDHHAIUSA-N	0	3	305.470	2.897	20	30		DFEDHN
CC(=O)N1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000359015363	428774422	/nfs/dbraw/zinc/77/44/22/428774422.db2.gz	MYKYFDADOBSMQF-WFASDCNBSA-N	0	3	303.381	2.606	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000359021137	428778232	/nfs/dbraw/zinc/77/82/32/428778232.db2.gz	TYESGEJWCXDYFE-YQQAZPJKSA-N	0	3	301.434	2.913	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1OCCCC#N	ZINC000348545027	428780040	/nfs/dbraw/zinc/78/00/40/428780040.db2.gz	CHVDHZQJEKRLJW-HZPDHXFCSA-N	0	3	318.417	2.723	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)NC(CC)(CC)C1=O)C(C)C	ZINC000359031085	428780884	/nfs/dbraw/zinc/78/08/84/428780884.db2.gz	URSPIVLJSAOXMQ-HNNXBMFYSA-N	0	3	321.465	2.796	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@H](N2CCOCC2)C[C@H]1C	ZINC000348553037	428785144	/nfs/dbraw/zinc/78/51/44/428785144.db2.gz	WOBRGVKGZDAVGM-SJLPKXTDSA-N	0	3	316.445	2.546	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348468268	428751346	/nfs/dbraw/zinc/75/13/46/428751346.db2.gz	XNBQVVYQISDMFM-STQMWFEESA-N	0	3	309.291	2.698	20	30		DFEDHN
CC[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000353970552	428798267	/nfs/dbraw/zinc/79/82/67/428798267.db2.gz	FIIIBOIOGFFXMM-WFASDCNBSA-N	0	3	306.431	2.565	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1	ZINC000411680405	428838364	/nfs/dbraw/zinc/83/83/64/428838364.db2.gz	USINXGIOUOLVEL-WOJBJXKFSA-N	0	3	322.408	2.855	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)COc2ccccc2)CC1	ZINC000348786165	428838465	/nfs/dbraw/zinc/83/84/65/428838465.db2.gz	JQKQDBNMYHQQJP-INIZCTEOSA-N	0	3	316.445	2.858	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N3CCC[C@@H](N4CCCC4)C3)CC2)cc1	ZINC000375276384	428839788	/nfs/dbraw/zinc/83/97/88/428839788.db2.gz	SFSGZLIPHNLRCN-GOSISDBHSA-N	0	3	323.440	2.677	20	30		DFEDHN
N#Cc1cccc(CNC2(CO)C3CC4CC(C3)CC2C4)c1F	ZINC000412009054	428906873	/nfs/dbraw/zinc/90/68/73/428906873.db2.gz	ZULAFJZSRDVLDJ-UHFFFAOYSA-N	0	3	314.404	2.974	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000363352827	428908288	/nfs/dbraw/zinc/90/82/88/428908288.db2.gz	PMXAZZPOCSVUQQ-RYRKJORJSA-N	0	3	313.445	2.608	20	30		DFEDHN
CCNc1ccc(C#N)cc1NC(=O)C1CCN(C2CC2)CC1	ZINC000354106916	428864652	/nfs/dbraw/zinc/86/46/52/428864652.db2.gz	MNCDAQCCCLNGSJ-UHFFFAOYSA-N	0	3	312.417	2.803	20	30		DFEDHN
C[C@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C#N)cc1F	ZINC000417383505	428865071	/nfs/dbraw/zinc/86/50/71/428865071.db2.gz	OVGWCCPBXXIUFX-ZDUSSCGKSA-N	0	3	320.408	2.916	20	30		DFEDHN
COC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)[nH]1	ZINC000418144209	428888187	/nfs/dbraw/zinc/88/81/87/428888187.db2.gz	KAZKXDDSJIPRIJ-INIZCTEOSA-N	0	3	309.369	2.840	20	30		DFEDHN
CC(C)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000411973135	428894720	/nfs/dbraw/zinc/89/47/20/428894720.db2.gz	POHMPCOYLCJHEP-ZWKOTPCHSA-N	0	3	311.429	2.604	20	30		DFEDHN
CC#CCN(C[C@H](O)COc1ccccc1SC)C(C)C	ZINC000411981657	428902192	/nfs/dbraw/zinc/90/21/92/428902192.db2.gz	JCWKTWCPYAENPE-HNNXBMFYSA-N	0	3	307.459	2.882	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1	ZINC000419259018	428929616	/nfs/dbraw/zinc/92/96/16/428929616.db2.gz	KJWXTROBNUTVLZ-AFAVFJNCSA-N	0	3	315.392	2.817	20	30		DFEDHN
CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@H]1C(C)(C)C	ZINC000419331405	428930654	/nfs/dbraw/zinc/93/06/54/428930654.db2.gz	ROXYTUJFYNNKCQ-HZPDHXFCSA-N	0	3	318.465	2.789	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@H](c3nc[nH]n3)C2)c1	ZINC000363512531	428931381	/nfs/dbraw/zinc/93/13/81/428931381.db2.gz	VQTKWFLDUIAWJB-AWEZNQCLSA-N	0	3	300.793	2.689	20	30		DFEDHN
Cc1ncccc1OC[C@@H]1CCCN1CCCSCC#N	ZINC000419402492	428931851	/nfs/dbraw/zinc/93/18/51/428931851.db2.gz	QKBIUOCXSGTSDG-HNNXBMFYSA-N	0	3	305.447	2.880	20	30		DFEDHN
Cc1cnn(C)c1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000420236849	428950481	/nfs/dbraw/zinc/95/04/81/428950481.db2.gz	QCLFRMFTIJHSJL-SNVBAGLBSA-N	0	3	308.263	2.632	20	30		DFEDHN
Cc1cnn(C)c1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000420236847	428951252	/nfs/dbraw/zinc/95/12/52/428951252.db2.gz	QCLFRMFTIJHSJL-JTQLQIEISA-N	0	3	308.263	2.632	20	30		DFEDHN
C[C@H](N[C@H](CCO)C1CCOCC1)c1ccc(C#N)cc1F	ZINC000359388362	428951625	/nfs/dbraw/zinc/95/16/25/428951625.db2.gz	FHRZVCOQAUQYSA-YVEFUNNKSA-N	0	3	306.381	2.526	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000420261373	428953259	/nfs/dbraw/zinc/95/32/59/428953259.db2.gz	KRIJJFBNMXFBGO-CYBMUJFWSA-N	0	3	301.287	2.715	20	30		DFEDHN
C[C@]1(F)CNCCN(c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000420256412	428953394	/nfs/dbraw/zinc/95/33/94/428953394.db2.gz	COONJKJCUHSWRR-ZDUSSCGKSA-N	0	3	301.287	2.715	20	30		DFEDHN
C=CCCCCNC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000354283478	428955486	/nfs/dbraw/zinc/95/54/86/428955486.db2.gz	JXZBTGWJANMUQS-UHFFFAOYSA-N	0	3	315.461	2.915	20	30		DFEDHN
C[C@@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000349295869	428957868	/nfs/dbraw/zinc/95/78/68/428957868.db2.gz	KPWNCPLZNQFCKC-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2cncc(C#N)n2)CC1	ZINC000420598272	428958072	/nfs/dbraw/zinc/95/80/72/428958072.db2.gz	JNRXGHGKGYTOBC-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@@H](O)C(F)(F)F)cc1OC	ZINC000349316793	428961063	/nfs/dbraw/zinc/96/10/63/428961063.db2.gz	OWBWUXFFRLRRAP-CQSZACIVSA-N	0	3	319.323	2.663	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C#N)s1	ZINC000420801239	428963846	/nfs/dbraw/zinc/96/38/46/428963846.db2.gz	KCCCDSBFXVRFGS-OLZOCXBDSA-N	0	3	320.462	2.539	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](C)[C@@H](O)C2)ccc1OC	ZINC000349346218	428966586	/nfs/dbraw/zinc/96/65/86/428966586.db2.gz	JTKDYXCHBGWTPC-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@H]1C[C@H](Nc2ccncc2C#N)CCN1Cc1ccccc1	ZINC000363689403	428970247	/nfs/dbraw/zinc/97/02/47/428970247.db2.gz	BRDPDNJPHYAZSA-MAUKXSAKSA-N	0	3	306.413	2.840	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000412363461	429023805	/nfs/dbraw/zinc/02/38/05/429023805.db2.gz	IGCRBLHXWKXUTD-MDASCCDHSA-N	0	3	323.440	2.604	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000355089592	429026886	/nfs/dbraw/zinc/02/68/86/429026886.db2.gz	JKQGZUXKEHSEAI-JKSUJKDBSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000355197937	429032458	/nfs/dbraw/zinc/03/24/58/429032458.db2.gz	SKLFLDLXCNORDI-KRWDZBQOSA-N	0	3	319.449	2.953	20	30		DFEDHN
COc1ccc([C@@H](CO)CNCc2ccc(C#N)c(F)c2)cc1	ZINC000421387029	428991849	/nfs/dbraw/zinc/99/18/49/428991849.db2.gz	SIUYGDCEGILLOF-MRXNPFEDSA-N	0	3	314.360	2.572	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1ccccc1OC1CCCC1	ZINC000424102917	429090918	/nfs/dbraw/zinc/09/09/18/429090918.db2.gz	RMUTWVCYBUESCP-MRXNPFEDSA-N	0	3	315.417	2.645	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Br)cc1	ZINC000424103262	429091544	/nfs/dbraw/zinc/09/15/44/429091544.db2.gz	CYZWYDQADSYUMK-ZWNOBZJWSA-N	0	3	324.222	2.647	20	30		DFEDHN
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424113391	429092345	/nfs/dbraw/zinc/09/23/45/429092345.db2.gz	NOCVUECXEICUTL-HOCLYGCPSA-N	0	3	301.434	2.880	20	30		DFEDHN
Cc1cccc(C2(CNC(=O)[C@@H](N)CCCC#N)CCCC2)c1	ZINC000424113037	429092827	/nfs/dbraw/zinc/09/28/27/429092827.db2.gz	LSNJULRSRNYTGD-KRWDZBQOSA-N	0	3	313.445	2.944	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1cccc(F)c1	ZINC000424122796	429094761	/nfs/dbraw/zinc/09/47/61/429094761.db2.gz	JFWOXHSELHXMNP-UHOFOFEASA-N	0	3	303.381	2.756	20	30		DFEDHN
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424125578	429095333	/nfs/dbraw/zinc/09/53/33/429095333.db2.gz	OCNHGBIUOWZOQS-IUODEOHRSA-N	0	3	307.825	2.751	20	30		DFEDHN
CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424123706	429095360	/nfs/dbraw/zinc/09/53/60/429095360.db2.gz	MZRNOXWSJQDMSO-CABCVRRESA-N	0	3	309.360	2.799	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cc[nH]c(=O)c1	ZINC000355305818	429037934	/nfs/dbraw/zinc/03/79/34/429037934.db2.gz	VAFXDUDXDMNWFP-BBRMVZONSA-N	0	3	309.369	2.737	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1COC	ZINC000452026784	429041499	/nfs/dbraw/zinc/04/14/99/429041499.db2.gz	CLSLQCNLPWFIMN-MSOLQXFVSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCCC[C@H]1COC	ZINC000452026786	429042713	/nfs/dbraw/zinc/04/27/13/429042713.db2.gz	CLSLQCNLPWFIMN-ROUUACIJSA-N	0	3	319.445	2.656	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(C#N)s1)CO2	ZINC000421881961	429043665	/nfs/dbraw/zinc/04/36/65/429043665.db2.gz	PKLLBXMZAPAIRD-LBPRGKRZSA-N	0	3	300.383	2.722	20	30		DFEDHN
C[C@@H](Nc1ccc(N2CCNCC2)cn1)c1cccc(C#N)c1	ZINC000423224794	429054809	/nfs/dbraw/zinc/05/48/09/429054809.db2.gz	CQSAXDDIVFWUED-CQSZACIVSA-N	0	3	307.401	2.536	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(Cl)cc(Br)c1	ZINC000412628743	429072607	/nfs/dbraw/zinc/07/26/07/429072607.db2.gz	ZFUFMPLUEIABJR-ZETCQYMHSA-N	0	3	301.571	2.878	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCCC2)C1	ZINC000264629096	274921093	/nfs/dbraw/zinc/92/10/93/274921093.db2.gz	TVOZYBIPCVRMHP-OAHLLOKOSA-N	0	3	300.362	2.531	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000453349909	429148558	/nfs/dbraw/zinc/14/85/58/429148558.db2.gz	JNSXUKINUDDLGT-QWHCGFSZSA-N	0	3	320.824	2.898	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453428729	429149787	/nfs/dbraw/zinc/14/97/87/429149787.db2.gz	AJDVCPNLBSEPDW-INIZCTEOSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453431891	429151033	/nfs/dbraw/zinc/15/10/33/429151033.db2.gz	FHAZAHHWZIZRSD-OAHLLOKOSA-N	0	3	305.470	2.582	20	30		DFEDHN
Cc1csc([C@@H]2CCCCN2C(=O)[C@H](N)CCCC#N)n1	ZINC000424139973	429098157	/nfs/dbraw/zinc/09/81/57/429098157.db2.gz	ATSWVLRYBTXESM-OLZOCXBDSA-N	0	3	306.435	2.526	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)s1	ZINC000452345489	429098719	/nfs/dbraw/zinc/09/87/19/429098719.db2.gz	RGLWPQJUAWRUEW-ZDUSSCGKSA-N	0	3	305.447	2.860	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21	ZINC000424172473	429103821	/nfs/dbraw/zinc/10/38/21/429103821.db2.gz	OCSDNLWUXMQSLE-UONOGXRCSA-N	0	3	321.808	2.691	20	30		DFEDHN
CC(C)[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000434867208	429114120	/nfs/dbraw/zinc/11/41/20/429114120.db2.gz	ZOHSDAVUGZDVOG-ROUUACIJSA-N	0	3	322.412	2.509	20	30		DFEDHN
Cn1cc(CN2CCCC[C@H]2CCO)c(-c2ccc(C#N)cc2)n1	ZINC000376498756	429123735	/nfs/dbraw/zinc/12/37/35/429123735.db2.gz	BGSDXPNWCYXJKS-SFHVURJKSA-N	0	3	324.428	2.696	20	30		DFEDHN
Cc1cc(N2CCN(C3CCCC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413050137	429127941	/nfs/dbraw/zinc/12/79/41/429127941.db2.gz	VEVWRPCEDIBVSX-UHFFFAOYSA-N	0	3	314.389	2.840	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCC2(F)F)cc1	ZINC000452834237	429138997	/nfs/dbraw/zinc/13/89/97/429138997.db2.gz	WQJQTJRCTIWEFG-GJZGRUSLSA-N	0	3	317.339	2.792	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000454314832	429163761	/nfs/dbraw/zinc/16/37/61/429163761.db2.gz	AUQMGKSGWIWIEW-UHFFFAOYSA-N	0	3	316.449	2.859	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2ccc(C#N)c(C)n2)c1	ZINC000487730081	429165538	/nfs/dbraw/zinc/16/55/38/429165538.db2.gz	NETYBWLAACGXJM-UHFFFAOYSA-N	0	3	324.428	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(COC)CCCC2)CC1	ZINC000454454848	429166132	/nfs/dbraw/zinc/16/61/32/429166132.db2.gz	BKIIIPRBMWUQIL-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CCC1(CNC(=O)NC[C@H]2CCCN2CCOC)CCCC1	ZINC000454528456	429166832	/nfs/dbraw/zinc/16/68/32/429166832.db2.gz	OPJFEWUHIVIZGH-MRXNPFEDSA-N	0	3	323.481	2.533	20	30		DFEDHN
CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000487907804	429173116	/nfs/dbraw/zinc/17/31/16/429173116.db2.gz	IESKDCIPRLXQMA-QGZVFWFLSA-N	0	3	313.445	2.995	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1CC	ZINC000487933616	429174504	/nfs/dbraw/zinc/17/45/04/429174504.db2.gz	VJDWFJZVCVMXIS-LJQANCHMSA-N	0	3	315.461	2.799	20	30		DFEDHN
Cc1nc(N[C@H](CN2CCCC2)c2ccccc2)ccc1C#N	ZINC000487927530	429175646	/nfs/dbraw/zinc/17/56/46/429175646.db2.gz	SZODZJIHRUWELN-GOSISDBHSA-N	0	3	306.413	3.511	20	30		DFEDHN
C[C@H](NCC1(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000495173336	429183969	/nfs/dbraw/zinc/18/39/69/429183969.db2.gz	KZYAYOJZVCUITH-KBPBESRZSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCCCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495281442	429195843	/nfs/dbraw/zinc/19/58/43/429195843.db2.gz	NEJIVESJAGWZEK-CABCVRRESA-N	0	3	312.454	2.957	20	30		DFEDHN
CN1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455750119	429206700	/nfs/dbraw/zinc/20/67/00/429206700.db2.gz	LFBYWDJVYGHMDC-UHFFFAOYSA-N	0	3	306.797	2.622	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C	ZINC000455749205	429206812	/nfs/dbraw/zinc/20/68/12/429206812.db2.gz	DIERORSOPFHXQA-WMLDXEAASA-N	0	3	313.445	2.726	20	30		DFEDHN
N#Cc1ccc(CN(CCCCO)C2CC2)c(OC(F)F)c1	ZINC000437886441	429211145	/nfs/dbraw/zinc/21/11/45/429211145.db2.gz	FPGQZRXPSFAZOH-UHFFFAOYSA-N	0	3	310.344	2.897	20	30		DFEDHN
CC(=O)N(C[C@@H]1CCCN1Cc1ccc(C#N)c(C)c1)C1CC1	ZINC000489035502	429215269	/nfs/dbraw/zinc/21/52/69/429215269.db2.gz	FIENATQIDDFOQR-IBGZPJMESA-N	0	3	311.429	2.842	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1	ZINC000439691181	429220144	/nfs/dbraw/zinc/22/01/44/429220144.db2.gz	FQTSDOHRICINGL-CQSZACIVSA-N	0	3	305.447	2.860	20	30		DFEDHN
COc1cccc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)n1	ZINC000364578970	429228162	/nfs/dbraw/zinc/22/81/62/429228162.db2.gz	LNBZKZGEWKNSNL-QGZVFWFLSA-N	0	3	322.412	2.720	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCCN1C	ZINC000455998398	429229482	/nfs/dbraw/zinc/22/94/82/429229482.db2.gz	DFINKJRLMDUPNJ-PBHICJAKSA-N	0	3	313.445	2.726	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C2CC2)CC1	ZINC000425106365	429233420	/nfs/dbraw/zinc/23/34/20/429233420.db2.gz	HDMCRMYKHHBXOP-CQSZACIVSA-N	0	3	311.429	2.952	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C2CC2)CC1	ZINC000425106364	429233956	/nfs/dbraw/zinc/23/39/56/429233956.db2.gz	HDMCRMYKHHBXOP-AWEZNQCLSA-N	0	3	311.429	2.952	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C1CC1)N1CCCC1	ZINC000425127339	429236358	/nfs/dbraw/zinc/23/63/58/429236358.db2.gz	IUZPOSMPTFXKLN-KBXCAEBGSA-N	0	3	311.429	2.952	20	30		DFEDHN
C[S@@](=O)C1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000442822592	429236914	/nfs/dbraw/zinc/23/69/14/429236914.db2.gz	OWHCBTZOGHOXGQ-IIBYNOLFSA-N	0	3	302.443	2.826	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(OCC)cc1	ZINC000489431148	429240811	/nfs/dbraw/zinc/24/08/11/429240811.db2.gz	PRFDCOLGJCGLQF-HOTGVXAUSA-N	0	3	305.418	2.866	20	30		DFEDHN
Cc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C#N)cn1	ZINC000425255139	429253006	/nfs/dbraw/zinc/25/30/06/429253006.db2.gz	MRPUDHZLOBASQI-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
Cc1cc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1C#N	ZINC000443964190	429258376	/nfs/dbraw/zinc/25/83/76/429258376.db2.gz	JBMDIYTUUFGNLB-QGZVFWFLSA-N	0	3	305.381	2.762	20	30		DFEDHN
Cc1cc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)ccc1C#N	ZINC000444002477	429262629	/nfs/dbraw/zinc/26/26/29/429262629.db2.gz	JTANLQXDMXCODG-ZWKOTPCHSA-N	0	3	310.401	2.610	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br	ZINC000456281800	429270055	/nfs/dbraw/zinc/27/00/55/429270055.db2.gz	WCAYERAILCVUHD-WRWORJQWSA-N	0	3	311.154	2.851	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000444733351	429277209	/nfs/dbraw/zinc/27/72/09/429277209.db2.gz	QQCRPVMLUIALTF-LSDHHAIUSA-N	0	3	312.335	2.888	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COCc1ccco1	ZINC000425536623	429318247	/nfs/dbraw/zinc/31/82/47/429318247.db2.gz	IXTNVMNUDTUEKS-YOEHRIQHSA-N	0	3	314.385	2.722	20	30		DFEDHN
CN(C)c1cc2c(nn1)CCN(CCCCC(C)(C)C#N)C2	ZINC000365444098	429320630	/nfs/dbraw/zinc/32/06/30/429320630.db2.gz	QYSNRRUEOFBNEB-UHFFFAOYSA-N	0	3	301.438	2.621	20	30		DFEDHN
C#C[C@@H](NC1CCC(CS(C)(=O)=O)CC1)c1ccc(F)cc1	ZINC000491071089	429323280	/nfs/dbraw/zinc/32/32/80/429323280.db2.gz	HZOCOYBXVMKSFC-QWFMPGPPSA-N	0	3	323.433	2.693	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1Cl	ZINC000365477963	429325637	/nfs/dbraw/zinc/32/56/37/429325637.db2.gz	PFXFMVFJVIKLIP-MLGOLLRUSA-N	0	3	324.783	2.778	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H](C)C1	ZINC000491149953	429328886	/nfs/dbraw/zinc/32/88/86/429328886.db2.gz	RWUTUNFLQXTKRM-JYJNAYRXSA-N	0	3	320.481	2.688	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](Cc1ccccc1)c1cccs1	ZINC000491165688	429329849	/nfs/dbraw/zinc/32/98/49/429329849.db2.gz	MXNJHOCQKDDVAO-INIZCTEOSA-N	0	3	312.438	2.761	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1	ZINC000491202059	429333157	/nfs/dbraw/zinc/33/31/57/429333157.db2.gz	LLTGYTSZVWJUPQ-UHFFFAOYSA-N	0	3	306.409	2.801	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]2(CCOC2)C1	ZINC000456699008	429339089	/nfs/dbraw/zinc/33/90/89/429339089.db2.gz	SCQVSPJLZNNPEU-PKOBYXMFSA-N	0	3	312.413	2.788	20	30		DFEDHN
N#Cc1c(F)ccc(CNC[C@H]2CCn3ccnc3C2)c1Cl	ZINC000365556904	429340557	/nfs/dbraw/zinc/34/05/57/429340557.db2.gz	OIRVQUFJMSXRNO-NSHDSACASA-N	0	3	318.783	2.899	20	30		DFEDHN
CC[C@H]1CN(CC)CCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456369783	429290181	/nfs/dbraw/zinc/29/01/81/429290181.db2.gz	GBCXGLJPEVIFOW-ROUUACIJSA-N	0	3	313.445	2.702	20	30		DFEDHN
Cc1ncccc1O[C@@H]1CCN(CCOc2cccc(C#N)c2)C1	ZINC000365279832	429292237	/nfs/dbraw/zinc/29/22/37/429292237.db2.gz	ZKWDGJADBAGGQF-GOSISDBHSA-N	0	3	323.396	2.794	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000490780613	429306136	/nfs/dbraw/zinc/30/61/36/429306136.db2.gz	MSRVXBNIVXMLID-SJLPKXTDSA-N	0	3	313.445	2.562	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(N(C)C)CCC1	ZINC000425515412	429314781	/nfs/dbraw/zinc/31/47/81/429314781.db2.gz	WVIVRIJYPSUIKY-CQSZACIVSA-N	0	3	314.433	2.745	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000448608704	429315024	/nfs/dbraw/zinc/31/50/24/429315024.db2.gz	XAMNPEYXHMEQBL-GOSISDBHSA-N	0	3	322.412	2.762	20	30		DFEDHN
C#C[C@H](NCc1ccc(OCCOC)c(OC)c1)C(C)(C)C	ZINC000491694058	429392936	/nfs/dbraw/zinc/39/29/36/429392936.db2.gz	ABBDGAUACQXLQP-KRWDZBQOSA-N	0	3	305.418	2.858	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](N)c1ccccc1CC)C1CCCC1	ZINC000491733284	429398892	/nfs/dbraw/zinc/39/88/92/429398892.db2.gz	DDOKKCIPMLTGJU-SFHVURJKSA-N	0	3	313.445	2.836	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)N(CCC#N)CC(F)(F)F)C1	ZINC000365897888	429399086	/nfs/dbraw/zinc/39/90/86/429399086.db2.gz	ZKLNONPPRJBVGZ-ZDUSSCGKSA-N	0	3	323.334	2.503	20	30		DFEDHN
C#CCN(C)CCCNC(=O)/C=C\c1cnc(C(C)(C)C)s1	ZINC000491746397	429402059	/nfs/dbraw/zinc/40/20/59/429402059.db2.gz	OKWKEIFPXMQZQP-HJWRWDBZSA-N	0	3	319.474	2.525	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc3c(c2)CCCC3)CC1	ZINC000491788976	429408173	/nfs/dbraw/zinc/40/81/73/429408173.db2.gz	TZSWAZZUURJGTI-UHFFFAOYSA-N	0	3	310.441	2.527	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1ccc(SC(C)C)cc1	ZINC000491785939	429409470	/nfs/dbraw/zinc/40/94/70/429409470.db2.gz	SXXCLZZWFDMOOH-CQSZACIVSA-N	0	3	304.459	2.977	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C1CC1	ZINC000491396112	429355861	/nfs/dbraw/zinc/35/58/61/429355861.db2.gz	WSNOPAYUGLLBSM-UKRRQHHQSA-N	0	3	303.406	2.516	20	30		DFEDHN
C[C@@H]1[C@@H](CO)CCN1Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000425990874	429357280	/nfs/dbraw/zinc/35/72/80/429357280.db2.gz	PREDJIUGSGOBIL-NVXWUHKLSA-N	0	3	324.428	2.666	20	30		DFEDHN
Cc1csc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1C#N	ZINC000514611101	429366151	/nfs/dbraw/zinc/36/61/51/429366151.db2.gz	ISBZJNXHJVWDTR-NSHDSACASA-N	0	3	304.419	2.700	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc2cc(C)ccc2nc1C	ZINC000491513298	429367593	/nfs/dbraw/zinc/36/75/93/429367593.db2.gz	BJYXVXQESKOHOP-UHFFFAOYSA-N	0	3	309.413	2.537	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)n1)N(C)Cc1ccccc1	ZINC000514789268	429371404	/nfs/dbraw/zinc/37/14/04/429371404.db2.gz	HIQGSDZHZQKUBE-AWEZNQCLSA-N	0	3	323.400	2.595	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000514982681	429373680	/nfs/dbraw/zinc/37/36/80/429373680.db2.gz	NOGLJCBKRPMCBH-HQJJXPTPSA-N	0	3	323.440	2.925	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@@H]2CCCC[C@H]21	ZINC000515548566	429377170	/nfs/dbraw/zinc/37/71/70/429377170.db2.gz	HJRYTIREZZPCKP-KYHPRHEASA-N	0	3	305.466	2.941	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)C[C@H]1CCCN1CC)c1ccc(F)cc1	ZINC000491646294	429384914	/nfs/dbraw/zinc/38/49/14/429384914.db2.gz	SOEVESGZULUUON-IAGOWNOFSA-N	0	3	317.408	2.626	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1C#N	ZINC000449553605	429447835	/nfs/dbraw/zinc/44/78/35/429447835.db2.gz	MEUPQBIMQSDJHH-BFYDXBDKSA-N	0	3	300.402	2.550	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CCN(CC)C2	ZINC000366349239	429449209	/nfs/dbraw/zinc/44/92/09/429449209.db2.gz	XYYPJAZAPFUNCC-AWEZNQCLSA-N	0	3	302.418	2.984	20	30		DFEDHN
COc1cc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)ccc1C#N	ZINC000449633627	429464404	/nfs/dbraw/zinc/46/44/04/429464404.db2.gz	PWHDJVBXFKSFAK-DLBZAZTESA-N	0	3	300.402	2.956	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1	ZINC000457440703	429464845	/nfs/dbraw/zinc/46/48/45/429464845.db2.gz	COVVHUVJYBMTTM-QBPKDAKJSA-N	0	3	308.466	2.594	20	30		DFEDHN
C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCC1	ZINC000457441073	429465641	/nfs/dbraw/zinc/46/56/41/429465641.db2.gz	AKPBRBNHZYIQQJ-HNNXBMFYSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](OC)[C@@H](C)C2)cc(OC)c1O	ZINC000449493169	429433888	/nfs/dbraw/zinc/43/38/88/429433888.db2.gz	DLAVQOSLCPLNQT-XJKSGUPXSA-N	0	3	305.418	2.986	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1C[C@H](c2ccccc2)C1(C)C	ZINC000274282761	275748494	/nfs/dbraw/zinc/74/84/94/275748494.db2.gz	PDTWOQRTMZKABY-HZPDHXFCSA-N	0	3	307.459	2.759	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000449874831	429529519	/nfs/dbraw/zinc/52/95/19/429529519.db2.gz	XPQGWHDNOIIFBI-QGZVFWFLSA-N	0	3	322.412	2.589	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1[C@H](C)CCC[C@@H]1C	ZINC000457550180	429484837	/nfs/dbraw/zinc/48/48/37/429484837.db2.gz	MLSLYKDNNZZGND-YYIAUSFCSA-N	0	3	308.466	2.737	20	30		DFEDHN
COc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1OCCCC#N	ZINC000449767019	429503080	/nfs/dbraw/zinc/50/30/80/429503080.db2.gz	PMAPNLOGHKFUHL-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000520355628	429511950	/nfs/dbraw/zinc/51/19/50/429511950.db2.gz	DTIGBWJRHTTXGF-HXUWFJFHSA-N	0	3	318.420	2.910	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNc2ncncc2C#N)N(C)C)cc1	ZINC000520400746	429512988	/nfs/dbraw/zinc/51/29/88/429512988.db2.gz	QWPMSACSPBWIAW-GOSISDBHSA-N	0	3	323.444	2.683	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]1C1CC1)C(C)C	ZINC000457759115	429522232	/nfs/dbraw/zinc/52/22/32/429522232.db2.gz	VOPHENBDAJJVRE-IRXDYDNUSA-N	0	3	305.466	2.879	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1	ZINC000457767814	429523831	/nfs/dbraw/zinc/52/38/31/429523831.db2.gz	SDSXCSGQFQMYJS-HOTGVXAUSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CCCCC1	ZINC000449847551	429524613	/nfs/dbraw/zinc/52/46/13/429524613.db2.gz	BGIQMBLYECKWSM-QGZVFWFLSA-N	0	3	322.493	2.722	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000449889725	429533333	/nfs/dbraw/zinc/53/33/33/429533333.db2.gz	DTRBMCOXXNWFMQ-BDJLRTHQSA-N	0	3	321.808	2.769	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000457817332	429533899	/nfs/dbraw/zinc/53/38/99/429533899.db2.gz	QVXCPKIWTXSZLV-CWQOZTLDSA-N	0	3	320.477	2.546	20	30		DFEDHN
CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000366922024	429539604	/nfs/dbraw/zinc/53/96/04/429539604.db2.gz	FOXZLWXJMRCCKS-KBXCAEBGSA-N	0	3	324.428	2.958	20	30		DFEDHN
C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N(C)Cc1ccccc1	ZINC000458368033	429628707	/nfs/dbraw/zinc/62/87/07/429628707.db2.gz	DIIIZNHMFCUGRA-HNNXBMFYSA-N	0	3	316.449	2.698	20	30		DFEDHN
C#Cc1ccc(CN[C@@H]2CCCc3cnn(CCOC)c32)cc1	ZINC000367376831	429633945	/nfs/dbraw/zinc/63/39/45/429633945.db2.gz	DFEKFRGBGNCWRL-GOSISDBHSA-N	0	3	309.413	2.678	20	30		DFEDHN
N#Cc1cccc(CCNCc2cc(-c3cccnc3)n[nH]2)c1	ZINC000367198939	429596077	/nfs/dbraw/zinc/59/60/77/429596077.db2.gz	HKMGEIATOYRGCN-UHFFFAOYSA-N	0	3	303.369	2.676	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1	ZINC000458269982	429612202	/nfs/dbraw/zinc/61/22/02/429612202.db2.gz	HLEIYVAZMMPZIB-MRXNPFEDSA-N	0	3	307.369	2.644	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCS[C@@H](c2ccccc2)C1	ZINC000367502595	429660391	/nfs/dbraw/zinc/66/03/91/429660391.db2.gz	JTKYJWOJFSIPFX-MRXNPFEDSA-N	0	3	317.458	2.539	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000493021472	429671258	/nfs/dbraw/zinc/67/12/58/429671258.db2.gz	NBIAKFKPBSBAQA-PXTSUWAFSA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccco1	ZINC000367596365	429679341	/nfs/dbraw/zinc/67/93/41/429679341.db2.gz	PERCZZZFLBONTH-GOEBONIOSA-N	0	3	300.406	2.889	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@H]1CCCN1CCc1ccccc1	ZINC000367686612	429699386	/nfs/dbraw/zinc/69/93/86/429699386.db2.gz	JFHFOJZPMHKLIA-IEBWSBKVSA-N	0	3	313.445	2.750	20	30		DFEDHN
COc1ccc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)cc1C#N	ZINC000459780471	429702215	/nfs/dbraw/zinc/70/22/15/429702215.db2.gz	VNFNYCWXFPLRSO-ZDUSSCGKSA-N	0	3	318.417	2.976	20	30		DFEDHN
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccn(C)n1	ZINC000459762628	429702260	/nfs/dbraw/zinc/70/22/60/429702260.db2.gz	UBCMFEWFRNXZLN-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000493185636	429706555	/nfs/dbraw/zinc/70/65/55/429706555.db2.gz	GJNYLQRFVFZVKX-KQDVGUJWSA-N	0	3	323.440	2.760	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1	ZINC000475366547	429716565	/nfs/dbraw/zinc/71/65/65/429716565.db2.gz	DWBVPRNAPZTJPC-WMLDXEAASA-N	0	3	303.402	2.882	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000483308219	429732147	/nfs/dbraw/zinc/73/21/47/429732147.db2.gz	YSWHHDDXOIIGOW-SFHVURJKSA-N	0	3	315.461	2.856	20	30		DFEDHN
CC#CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000483427885	429734384	/nfs/dbraw/zinc/73/43/84/429734384.db2.gz	SXSYECXGEOLSGW-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCN(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCCCC1	ZINC000484494859	429740678	/nfs/dbraw/zinc/74/06/78/429740678.db2.gz	ZWHLNUJCRFHADF-GOSISDBHSA-N	0	3	303.450	2.863	20	30		DFEDHN
CC(C)[C@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C	ZINC000431122869	429743805	/nfs/dbraw/zinc/74/38/05/429743805.db2.gz	VYFWYVYWMSKTMB-NVXWUHKLSA-N	0	3	302.418	2.664	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2ccc(F)c(Br)c2C1	ZINC000527627893	429769089	/nfs/dbraw/zinc/76/90/89/429769089.db2.gz	IXTSWPIXVXUJKL-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCC(O)CC2)CC1	ZINC000451147453	429776551	/nfs/dbraw/zinc/77/65/51/429776551.db2.gz	QWCGESHRQBKJQV-INIZCTEOSA-N	0	3	322.493	2.817	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1Cl	ZINC000527758187	429793360	/nfs/dbraw/zinc/79/33/60/429793360.db2.gz	MWQCUGUIMPMKCG-GOEBONIOSA-N	0	3	311.809	2.534	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000368395988	429841039	/nfs/dbraw/zinc/84/10/39/429841039.db2.gz	XYVBUTZSLRSOPM-QGZVFWFLSA-N	0	3	321.509	2.606	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC2(C1)CCCCCC2)C1CC1	ZINC000368399336	429842896	/nfs/dbraw/zinc/84/28/96/429842896.db2.gz	YBHSWWVLCDULSF-QGZVFWFLSA-N	0	3	303.450	2.841	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cscc1C#N	ZINC000432877907	429847490	/nfs/dbraw/zinc/84/74/90/429847490.db2.gz	OFPLUCSVSRZRNI-XQQFMLRXSA-N	0	3	305.447	2.716	20	30		DFEDHN
CCC(C#N)(CC)c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000528154427	429855647	/nfs/dbraw/zinc/85/56/47/429855647.db2.gz	QJCJPZKQWUXENB-RYUDHWBXSA-N	0	3	301.394	2.506	20	30		DFEDHN
CCCCCCCN1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000368522572	429861618	/nfs/dbraw/zinc/86/16/18/429861618.db2.gz	PLJUWJIFZXTJES-QGZVFWFLSA-N	0	3	310.482	2.964	20	30		DFEDHN
CCc1nnc(NC[C@H]2CCN2C2CCCC2)c(C#N)c1CC	ZINC000528206736	429861592	/nfs/dbraw/zinc/86/15/92/429861592.db2.gz	DVZWTSJNQDODKO-CQSZACIVSA-N	0	3	313.449	2.902	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1	ZINC000494365455	429868032	/nfs/dbraw/zinc/86/80/32/429868032.db2.gz	RORUCCIXKONYOR-CYBMUJFWSA-N	0	3	323.437	2.642	20	30		DFEDHN
N#CCc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1	ZINC000528884741	429928362	/nfs/dbraw/zinc/92/83/62/429928362.db2.gz	KZQWORDSEFGEGI-KRWDZBQOSA-N	0	3	312.417	2.891	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000528389883	429884684	/nfs/dbraw/zinc/88/46/84/429884684.db2.gz	MHHKYKCSXUUGFX-UHFFFAOYSA-N	0	3	317.433	2.573	20	30		DFEDHN
CC[C@@H]1CN(c2ccccc2)CCN1C[C@@H](O)CC1(C#N)CC1	ZINC000528453289	429890465	/nfs/dbraw/zinc/89/04/65/429890465.db2.gz	ZTYFRPBKASVXIZ-AEFFLSMTSA-N	0	3	313.445	2.642	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@]3(C2)OCc2ccccc23)CC1	ZINC000528460634	429890803	/nfs/dbraw/zinc/89/08/03/429890803.db2.gz	ZKFDTRCSOICYTL-VQIMIIECSA-N	0	3	312.413	2.563	20	30		DFEDHN
C[C@@]1(c2ccc(F)cc2)CCN(C[C@@H](O)CC2(C#N)CC2)C1	ZINC000528488026	429893011	/nfs/dbraw/zinc/89/30/11/429893011.db2.gz	NDJQYPIKGFJKGE-DLBZAZTESA-N	0	3	302.393	2.844	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1	ZINC000528512477	429895190	/nfs/dbraw/zinc/89/51/90/429895190.db2.gz	LVNFPGHWVQTXCP-GDBMZVCRSA-N	0	3	320.820	2.848	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCCN(C2CCCC2)CC1	ZINC000368891111	429900880	/nfs/dbraw/zinc/90/08/80/429900880.db2.gz	ZSEOYMCOTDVPES-SFHVURJKSA-N	0	3	308.466	2.692	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)CC1	ZINC000369041210	429908664	/nfs/dbraw/zinc/90/86/64/429908664.db2.gz	JWPJFCRRSLEADW-XLNGHYISSA-N	0	3	302.462	2.519	20	30		DFEDHN
COc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1C#N	ZINC000369117156	429914080	/nfs/dbraw/zinc/91/40/80/429914080.db2.gz	PKPZLTFEBNPDRK-QGZVFWFLSA-N	0	3	300.402	2.815	20	30		DFEDHN
CC(C)(C)SCCN1CCCN(c2ncccc2C#N)CC1	ZINC000369222806	429920448	/nfs/dbraw/zinc/92/04/48/429920448.db2.gz	BRBKRCWIVLDNEZ-UHFFFAOYSA-N	0	3	318.490	2.997	20	30		DFEDHN
Cn1nccc1[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000369260340	429921983	/nfs/dbraw/zinc/92/19/83/429921983.db2.gz	UVQYGUCOYCHEJI-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(Cc3ccco3)C2)CC1	ZINC000636741032	429925496	/nfs/dbraw/zinc/92/54/96/429925496.db2.gz	OYTDAYBNXVMILU-UHFFFAOYSA-N	0	3	317.433	2.504	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](CCC)c1ccccc1	ZINC000451677878	429870633	/nfs/dbraw/zinc/87/06/33/429870633.db2.gz	VUTOCCZJFLCJNC-KSZLIROESA-N	0	3	316.445	2.967	20	30		DFEDHN
COc1cccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)c1	ZINC000528340499	429876673	/nfs/dbraw/zinc/87/66/73/429876673.db2.gz	TXZHSJHAOANLDM-RDJZCZTQSA-N	0	3	300.402	2.887	20	30		DFEDHN
C[C@@H]1CN(CC#CCN2CCC(F)(F)[C@@H](C)C2)CCC1(F)F	ZINC000573528209	429959961	/nfs/dbraw/zinc/95/99/61/429959961.db2.gz	XPXBJMXBNVFOHL-OKILXGFUSA-N	0	3	320.374	2.944	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H]3C3CC3)C2=O)cc1	ZINC000558270957	429966454	/nfs/dbraw/zinc/96/64/54/429966454.db2.gz	ARWPYTOCSMHTCR-KSZLIROESA-N	0	3	309.413	2.832	20	30		DFEDHN
C=CCOCCN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1	ZINC000639757438	429970062	/nfs/dbraw/zinc/97/00/62/429970062.db2.gz	JHGPIJKCUUVJQN-UHFFFAOYSA-N	0	3	312.417	2.854	20	30		DFEDHN
N#CCC[C@H](C#N)CNCC1CCN(C(=O)c2ccccc2)CC1	ZINC000558423406	429971590	/nfs/dbraw/zinc/97/15/90/429971590.db2.gz	KSQRQRDTZJRACJ-QGZVFWFLSA-N	0	3	324.428	2.572	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000558674281	429984483	/nfs/dbraw/zinc/98/44/83/429984483.db2.gz	PETDLWYJLFXMFH-HUUCEWRRSA-N	0	3	303.454	2.652	20	30		DFEDHN
Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc1	ZINC000573198078	429932509	/nfs/dbraw/zinc/93/25/09/429932509.db2.gz	XYQRBMQJGDVLQO-ROUUACIJSA-N	0	3	313.445	2.797	20	30		DFEDHN
CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528915148	429933172	/nfs/dbraw/zinc/93/31/72/429933172.db2.gz	AINRQTRJVHIHTH-OAHLLOKOSA-N	0	3	322.368	2.780	20	30		DFEDHN
CO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccc(F)cc1	ZINC000528918116	429935322	/nfs/dbraw/zinc/93/53/22/429935322.db2.gz	OAGQKEQYWDTFOY-YOEHRIQHSA-N	0	3	313.332	2.797	20	30		DFEDHN
C=CCCC1(c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CC1	ZINC000574437553	430041618	/nfs/dbraw/zinc/04/16/18/430041618.db2.gz	AGIJEXHSJUTWLB-BETUJISGSA-N	0	3	300.406	2.923	20	30		DFEDHN
C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N1CCCC1	ZINC000560479452	430047176	/nfs/dbraw/zinc/04/71/76/430047176.db2.gz	XLRLTRJXFMKRGZ-CYBMUJFWSA-N	0	3	317.408	2.575	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637170881	429994246	/nfs/dbraw/zinc/99/42/46/429994246.db2.gz	YVFOGCAEROYHMY-OWCLPIDISA-N	0	3	323.481	2.530	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)Cc1ccc(C#N)nc1	ZINC000529412282	430000775	/nfs/dbraw/zinc/00/07/75/430000775.db2.gz	MWSZVSRAMCLEPF-UHFFFAOYSA-N	0	3	323.400	2.552	20	30		DFEDHN
C=CCCCCCNC(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637255497	430009318	/nfs/dbraw/zinc/00/93/18/430009318.db2.gz	LZIUPZZMLMJGSU-IXDOHACOSA-N	0	3	323.481	2.674	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637325669	430024927	/nfs/dbraw/zinc/02/49/27/430024927.db2.gz	YPIFBTXVYUKWML-OWCLPIDISA-N	0	3	323.481	2.530	20	30		DFEDHN
N#CCCC1CCN(C[C@@H](O)COc2ccccc2F)CC1	ZINC000576461594	430105429	/nfs/dbraw/zinc/10/54/29/430105429.db2.gz	BHKQAKUPBPZHCD-OAHLLOKOSA-N	0	3	306.381	2.581	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC[C@@H](C#N)CCC#N)C1CC1	ZINC000577004791	430109917	/nfs/dbraw/zinc/10/99/17/430109917.db2.gz	LWLZMLVSKMJOIN-IEBWSBKVSA-N	0	3	310.445	2.930	20	30		DFEDHN
N#C[C@H]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1	ZINC000574989936	430054316	/nfs/dbraw/zinc/05/43/16/430054316.db2.gz	YMBIWLOHWGWTCE-LPHOPBHVSA-N	0	3	313.445	2.995	20	30		DFEDHN
C=CCOCCNC[C@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000634711764	430085729	/nfs/dbraw/zinc/08/57/29/430085729.db2.gz	UGDHGTKTIZILAT-ZDUSSCGKSA-N	0	3	320.216	2.525	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(O)c1	ZINC000532988307	430157424	/nfs/dbraw/zinc/15/74/24/430157424.db2.gz	BAUZUCTWMAWQFX-UHFFFAOYSA-N	0	3	309.369	2.724	20	30		DFEDHN
Cn1cc([C@@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)cn1	ZINC000580901427	430160652	/nfs/dbraw/zinc/16/06/52/430160652.db2.gz	UAHYBNVMZRTJRV-HNNXBMFYSA-N	0	3	300.431	2.979	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000562721419	430172980	/nfs/dbraw/zinc/17/29/80/430172980.db2.gz	RNBFWSLRMPBGDW-KSSFIOAISA-N	0	3	303.450	2.697	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000577726893	430116769	/nfs/dbraw/zinc/11/67/69/430116769.db2.gz	LTIRDOCLWCSXSW-FRRDWIJNSA-N	0	3	319.371	2.705	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1cccc2ccccc21	ZINC000562554389	430147569	/nfs/dbraw/zinc/14/75/69/430147569.db2.gz	MZQZQNMCWVDISP-ZMYBRWDISA-N	0	3	324.424	2.950	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(CC#N)CC1	ZINC000540990403	430183340	/nfs/dbraw/zinc/18/33/40/430183340.db2.gz	KHAKUIHLZZBLQQ-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
COc1ccc(CN(C(=O)C(C)C#N)[C@H](C)C2CC2)c(OC)c1	ZINC000563395017	430187500	/nfs/dbraw/zinc/18/75/00/430187500.db2.gz	OOUHQNSPFLUDQN-QWHCGFSZSA-N	0	3	316.401	2.991	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1(CO)CCC1	ZINC000292157401	335088236	/nfs/dbraw/zinc/08/82/36/335088236.db2.gz	OERQRTRCKQYSML-UHFFFAOYSA-N	0	3	313.319	2.784	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000565492721	430214785	/nfs/dbraw/zinc/21/47/85/430214785.db2.gz	MYOILJVPDBWQCS-BPQIPLTHSA-N	0	3	311.429	2.627	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543456650	430249219	/nfs/dbraw/zinc/24/92/19/430249219.db2.gz	SBNGACQALOLLOU-IAQYHMDHSA-N	0	3	305.809	2.670	20	30		DFEDHN
CC(C)N1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000543658455	430256816	/nfs/dbraw/zinc/25/68/16/430256816.db2.gz	OXRLHEPGFKLXKP-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2scc(C)c2C#N)CC1	ZINC000566420745	430259737	/nfs/dbraw/zinc/25/97/37/430259737.db2.gz	QOLODHBTRQVWFL-UHFFFAOYSA-N	0	3	304.419	2.700	20	30		DFEDHN
C[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)cc1F	ZINC000543762848	430264071	/nfs/dbraw/zinc/26/40/71/430264071.db2.gz	OYTCSKLTBPCEFA-CYBMUJFWSA-N	0	3	310.372	2.878	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cnc(-c2ccccc2)s1	ZINC000567113572	430278060	/nfs/dbraw/zinc/27/80/60/430278060.db2.gz	DIPOCBDOOZJMOR-LBPRGKRZSA-N	0	3	300.387	2.770	20	30		DFEDHN
C[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1Cl	ZINC000568047301	430309088	/nfs/dbraw/zinc/30/90/88/430309088.db2.gz	KGUYQAZOQFLFNA-AAEUAGOBSA-N	0	3	317.820	2.873	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)cc1OC	ZINC000545296325	430313526	/nfs/dbraw/zinc/31/35/26/430313526.db2.gz	KVXOEHRCJHYANP-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000568277162	430343800	/nfs/dbraw/zinc/34/38/00/430343800.db2.gz	PAKXPFDDNODDNS-GOSISDBHSA-N	0	3	301.434	2.916	20	30		DFEDHN
C[C@H]1CN(c2cccc(C(F)F)c2C#N)CCN1CC(C)(C)O	ZINC000582915105	430346787	/nfs/dbraw/zinc/34/67/87/430346787.db2.gz	ARXCMNPRKVWMLF-LBPRGKRZSA-N	0	3	323.387	2.777	20	30		DFEDHN
Cc1csc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)c1C#N	ZINC000583241744	430375223	/nfs/dbraw/zinc/37/52/23/430375223.db2.gz	UOWPELBSMKXHGQ-VXGBXAGGSA-N	0	3	304.419	2.629	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](C)C[C@@H]1CCCC(=O)N1	ZINC000638615393	430390863	/nfs/dbraw/zinc/39/08/63/430390863.db2.gz	AWPQVGBMRQYGDT-HOCLYGCPSA-N	0	3	302.418	2.788	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000366523247	277628912	/nfs/dbraw/zinc/62/89/12/277628912.db2.gz	SKIYLCRFXDSMMZ-DAXOMENPSA-N	0	3	306.431	2.565	20	30		DFEDHN
N#Cc1ccncc1N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000569425825	430451399	/nfs/dbraw/zinc/45/13/99/430451399.db2.gz	JGFOAQOXBJRQLL-OALUTQOASA-N	0	3	318.424	2.879	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000548307172	430461013	/nfs/dbraw/zinc/46/10/13/430461013.db2.gz	OEJGMFUNEJAPBP-FZMZJTMJSA-N	0	3	303.793	2.520	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OC)c(OCC(C)C)c1	ZINC000641769720	430467027	/nfs/dbraw/zinc/46/70/27/430467027.db2.gz	YUAATYGNZYGFLT-MRXNPFEDSA-N	0	3	305.418	2.594	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn([C@@H](C)CC)c2C)CC1	ZINC000584207536	430469092	/nfs/dbraw/zinc/46/90/92/430469092.db2.gz	HDCDGIQHXJEAOT-ZDUSSCGKSA-N	0	3	319.453	2.934	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNc2ccc(C#N)nn2)N(C)C)cc1	ZINC000588848911	430484033	/nfs/dbraw/zinc/48/40/33/430484033.db2.gz	HCHLRGWQIBETSE-GOSISDBHSA-N	0	3	323.444	3.262	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1=CCN(C)CC1	ZINC000548637766	430487230	/nfs/dbraw/zinc/48/72/30/430487230.db2.gz	BXWSDTRUDJBGHQ-LLVKDONJSA-N	0	3	303.793	2.592	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21	ZINC000569855956	430491296	/nfs/dbraw/zinc/49/12/96/430491296.db2.gz	CVNCEMLNJJZYNR-DLBZAZTESA-N	0	3	311.429	2.685	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)n1	ZINC000596086863	430506399	/nfs/dbraw/zinc/50/63/99/430506399.db2.gz	BZYKMBUNDVGYKD-HOCLYGCPSA-N	0	3	321.428	3.158	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC2(C(F)F)CCCC2)CC1	ZINC000642266638	430507457	/nfs/dbraw/zinc/50/74/57/430507457.db2.gz	GMIAPRDZXCTCCD-UHFFFAOYSA-N	0	3	315.408	2.904	20	30		DFEDHN
CC#CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000570088574	430510837	/nfs/dbraw/zinc/51/08/37/430510837.db2.gz	JHXSCNWVMJBRBT-INIZCTEOSA-N	0	3	302.393	2.567	20	30		DFEDHN
O=C(NCCN1CCCC1)c1ccc(C#Cc2ccccc2)cc1	ZINC000642983402	430541441	/nfs/dbraw/zinc/54/14/41/430541441.db2.gz	IJMMVZIMRHUUKB-UHFFFAOYSA-N	0	3	318.420	2.912	20	30		DFEDHN
C[C@H]1c2ccsc2CCN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599256983	430527789	/nfs/dbraw/zinc/52/77/89/430527789.db2.gz	CSZOEAOKDMPDFJ-KBPBESRZSA-N	0	3	320.458	2.739	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@H]1n1cccn1	ZINC000551320143	430554817	/nfs/dbraw/zinc/55/48/17/430554817.db2.gz	CELXIOYUDBGEOT-BVPBIZIASA-N	0	3	310.401	2.824	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COc1ccc(C#N)cc1	ZINC000552034461	430579198	/nfs/dbraw/zinc/57/91/98/430579198.db2.gz	WVHDFAZQVKJZKD-FXAWDEMLSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H](C2CC2)C2CCC2)cc1	ZINC000571022460	430596667	/nfs/dbraw/zinc/59/66/67/430596667.db2.gz	XOXYRROLKQZEJX-QZTJIDSGSA-N	0	3	307.397	2.935	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@@H]2CCn3ccnc3C2)cc1	ZINC000570474590	430545609	/nfs/dbraw/zinc/54/56/09/430545609.db2.gz	ARBIHDLCZSHLNX-WBVHZDCISA-N	0	3	310.401	2.841	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000278642664	277920595	/nfs/dbraw/zinc/92/05/95/277920595.db2.gz	NZRGGENRNOENCE-WMZOPIPTSA-N	0	3	304.434	2.513	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000553504423	430618309	/nfs/dbraw/zinc/61/83/09/430618309.db2.gz	LVVWEJHJNVVKDD-WFASDCNBSA-N	0	3	317.820	2.910	20	30		DFEDHN
N#Cc1cnn2cc(CNCCc3cccc(Cl)c3)cnc12	ZINC000555553138	430670136	/nfs/dbraw/zinc/67/01/36/430670136.db2.gz	CCARZJZLOHJWDX-UHFFFAOYSA-N	0	3	311.776	2.587	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](CC2CC2)C1	ZINC000555696580	430671908	/nfs/dbraw/zinc/67/19/08/430671908.db2.gz	HMGOZQSTUBWMFA-GDBMZVCRSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CC(C(=O)c1cn2c(n1)CCCC2)c1nc2ccccc2[nH]1	ZINC000555940738	430675819	/nfs/dbraw/zinc/67/58/19/430675819.db2.gz	DYORRYRVQOIARD-LLVKDONJSA-N	0	3	305.341	2.586	20	30		DFEDHN
C=C(C)[C@H](NC[C@@H]1CCc2ncnn21)c1ccc(F)c(F)c1	ZINC000639594112	430678826	/nfs/dbraw/zinc/67/88/26/430678826.db2.gz	NJAHCQSVPBNCQB-LRDDRELGSA-N	0	3	304.344	2.951	20	30		DFEDHN
N#Cc1csc(CNCC[C@H]2COc3ccccc3O2)c1	ZINC000572551457	430690492	/nfs/dbraw/zinc/69/04/92/430690492.db2.gz	ZELQGDZLWQNLCL-ZDUSSCGKSA-N	0	3	300.383	2.939	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCCc1ccco1	ZINC000644513021	430739339	/nfs/dbraw/zinc/73/93/39/430739339.db2.gz	AKOMBDMFLKCGTG-INIZCTEOSA-N	0	3	301.386	2.580	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@H]1CCCN(CC)[C@H]1c1cnn(C)c1	ZINC000661521275	430746778	/nfs/dbraw/zinc/74/67/78/430746778.db2.gz	CSYDFKONEITEIF-YQVWRLOYSA-N	0	3	316.493	2.927	20	30		DFEDHN
C=C(C)C[C@@H](NC(C)=O)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1	ZINC000664803259	430750077	/nfs/dbraw/zinc/75/00/77/430750077.db2.gz	GTXFSNWKVSLOPW-JALIKCBVSA-N	0	3	318.421	2.553	20	30		DFEDHN
C=CCCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000661570706	430761694	/nfs/dbraw/zinc/76/16/94/430761694.db2.gz	RBXPZUHEUIAAKH-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000661571619	430762252	/nfs/dbraw/zinc/76/22/52/430762252.db2.gz	YMIOXRCTHXVJOL-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](CC)Cc1ccc(C(F)(F)F)cc1	ZINC000657954425	430774769	/nfs/dbraw/zinc/77/47/69/430774769.db2.gz	ZFJQQNJITLKFDA-AWEZNQCLSA-N	0	3	314.351	2.918	20	30		DFEDHN
C=C(CNC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1	ZINC000644647403	430779107	/nfs/dbraw/zinc/77/91/07/430779107.db2.gz	WUDDBMDFHGOCPE-OAQYLSRUSA-N	0	3	322.452	2.709	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O	ZINC000648464091	430796609	/nfs/dbraw/zinc/79/66/09/430796609.db2.gz	AQCYLLMOTJRVFS-SQWLQELKSA-N	0	3	304.438	2.638	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc2cc(C)nn2c1C	ZINC000651452888	430797965	/nfs/dbraw/zinc/79/79/65/430797965.db2.gz	ZRCRGCDXTGHLNP-WQVCFCJDSA-N	0	3	300.406	2.730	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NCc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000651673679	430845746	/nfs/dbraw/zinc/84/57/46/430845746.db2.gz	SZWIRSHDBHBTAS-GDBMZVCRSA-N	0	3	322.474	2.771	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000658335206	430879238	/nfs/dbraw/zinc/87/92/38/430879238.db2.gz	NFOQKYQDBPBTRI-CMPLNLGQSA-N	0	3	316.323	2.559	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC2CCC2)CC1	ZINC000655050886	430880922	/nfs/dbraw/zinc/88/09/22/430880922.db2.gz	BPFPVPBOJXZNJD-SFHVURJKSA-N	0	3	308.466	2.550	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1	ZINC000651843014	430893416	/nfs/dbraw/zinc/89/34/16/430893416.db2.gz	RDDBBZNTDSQKND-ILXRZTDVSA-N	0	3	321.442	2.556	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(CCC)C1	ZINC000661952271	430900222	/nfs/dbraw/zinc/90/02/22/430900222.db2.gz	AYZCSEKOEBTSLN-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H]1CCOc2ccccc21	ZINC000662079723	430949876	/nfs/dbraw/zinc/94/98/76/430949876.db2.gz	LTCQHJMUSXEJDQ-UXLLHSPISA-N	0	3	312.413	2.809	20	30		DFEDHN
CC(C)c1csc(C(C#N)C(=O)c2cnc3n2CCC3)n1	ZINC000659114217	430951034	/nfs/dbraw/zinc/95/10/34/430951034.db2.gz	MAZSYBCQKOIGSL-JTQLQIEISA-N	0	3	300.387	2.899	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000649240989	431039960	/nfs/dbraw/zinc/03/99/60/431039960.db2.gz	BFBVLFGZPHSTHW-LBPRGKRZSA-N	0	3	301.333	2.665	20	30		DFEDHN
C=CCn1c(CC2CC2)nnc1N1CCN(C(C)(C)CC)CC1	ZINC000655616498	431065455	/nfs/dbraw/zinc/06/54/55/431065455.db2.gz	QUHHVVCXQLKWHP-UHFFFAOYSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN(C(C)(C)CC)CC1	ZINC000655631425	431066590	/nfs/dbraw/zinc/06/65/90/431066590.db2.gz	GRCWSYWABMSHBB-UHFFFAOYSA-N	0	3	305.470	2.727	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N(C)CCN1CCCCC1	ZINC000652562838	431086239	/nfs/dbraw/zinc/08/62/39/431086239.db2.gz	RUGAXNYAJUDLAZ-OAHLLOKOSA-N	0	3	305.470	2.900	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]2CC)c(OC)c1	ZINC000292413208	335089409	/nfs/dbraw/zinc/08/94/09/335089409.db2.gz	MEYQMVHBUKXYLG-JKSUJKDBSA-N	0	3	305.418	2.648	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187950798	279297143	/nfs/dbraw/zinc/29/71/43/279297143.db2.gz	KIBDAOPRSFBUDF-QGZVFWFLSA-N	0	3	311.429	2.533	20	30		DFEDHN
C=CCC[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1	ZINC000655922324	431221382	/nfs/dbraw/zinc/22/13/82/431221382.db2.gz	UDALVJFBKZTAHD-CHWSQXEVSA-N	0	3	315.339	2.883	20	30		DFEDHN
C=CCCC(C)(C)NS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000660142794	431287994	/nfs/dbraw/zinc/28/79/94/431287994.db2.gz	KDBNYVNOIXTDNQ-UHFFFAOYSA-N	0	3	310.463	2.771	20	30		DFEDHN
C=CCN1CCC(Nc2ccnc(-c3ccc(OC)cc3)n2)CC1	ZINC000663570439	431469943	/nfs/dbraw/zinc/46/99/43/431469943.db2.gz	VRESWQVTUNPFOV-UHFFFAOYSA-N	0	3	324.428	2.636	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CCCc2c(F)cccc2F)C1=O	ZINC000653657060	431477561	/nfs/dbraw/zinc/47/75/61/431477561.db2.gz	GDIQSLSXCREMFF-INIZCTEOSA-N	0	3	308.372	2.616	20	30		DFEDHN
C=C[C@@](C)(O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1	ZINC000666985738	431433404	/nfs/dbraw/zinc/43/34/04/431433404.db2.gz	LDXCXMMSRJYTSV-IEBWSBKVSA-N	0	3	316.445	2.513	20	30		DFEDHN
C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1	ZINC000666985740	431434074	/nfs/dbraw/zinc/43/40/74/431434074.db2.gz	LDXCXMMSRJYTSV-PKOBYXMFSA-N	0	3	316.445	2.513	20	30		DFEDHN
CC(=O)c1ccccc1NC(=O)CCCN[C@@H]1CCC[C@@H]1C#N	ZINC000653669892	431483671	/nfs/dbraw/zinc/48/36/71/431483671.db2.gz	QMFFGOWOEXEONN-GDBMZVCRSA-N	0	3	313.401	2.890	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(F)(F)C(C)(C)C)CC1	ZINC000660704796	431558713	/nfs/dbraw/zinc/55/87/13/431558713.db2.gz	QESQOBSRURVMKT-UHFFFAOYSA-N	0	3	303.397	2.617	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1CCOC	ZINC000660700918	431554863	/nfs/dbraw/zinc/55/48/63/431554863.db2.gz	NPTCBZVQWXYDRD-ZACQAIPSSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1	ZINC000657092579	431597390	/nfs/dbraw/zinc/59/73/90/431597390.db2.gz	BOCXIOCRKRHOJQ-OAHLLOKOSA-N	0	3	322.474	2.725	20	30		DFEDHN
C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000660812157	431611682	/nfs/dbraw/zinc/61/16/82/431611682.db2.gz	LWTBBRMLGHVIBE-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cnc2n1CCC2)C(C)C	ZINC000657307126	431661440	/nfs/dbraw/zinc/66/14/40/431661440.db2.gz	KBTAONIZJMZINF-QGZVFWFLSA-N	0	3	302.466	2.618	20	30		DFEDHN
CCOC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1c1cnn(C)c1	ZINC000660997884	431692041	/nfs/dbraw/zinc/69/20/41/431692041.db2.gz	QUBRSKINWGAXLN-PMACEKPBSA-N	0	3	323.440	2.524	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000661039320	431709294	/nfs/dbraw/zinc/70/92/94/431709294.db2.gz	BGGYYABYFULYOI-KRWDZBQOSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000661091482	431727193	/nfs/dbraw/zinc/72/71/93/431727193.db2.gz	MSBJGQSMBCJROA-UHFFFAOYSA-N	0	3	316.449	2.559	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000661097706	431730533	/nfs/dbraw/zinc/73/05/33/431730533.db2.gz	VRKMTGULVVOCGZ-XHSDSOJGSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCC1(NC(=O)NC[C@@]2(N(C)C)CCSC2)CCCC1	ZINC000664311568	431731943	/nfs/dbraw/zinc/73/19/43/431731943.db2.gz	RPLFXEPNUWRROI-INIZCTEOSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1nnnn1Cc1ccccc1	ZINC000661119386	431739093	/nfs/dbraw/zinc/73/90/93/431739093.db2.gz	RVKCKVJLCZFRLV-DLBZAZTESA-N	0	3	311.433	2.946	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)nn1C	ZINC000657455138	431762788	/nfs/dbraw/zinc/76/27/88/431762788.db2.gz	PZHSSTHZJKCATF-MFKMUULPSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)OC[C@H]2CC)CC1	ZINC000650851714	431722136	/nfs/dbraw/zinc/72/21/36/431722136.db2.gz	BHGYBMMVJIBKMQ-IAGOWNOFSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCOCCCNCc1ccnn1-c1ccccc1OC	ZINC000657659005	431833868	/nfs/dbraw/zinc/83/38/68/431833868.db2.gz	NLDVKLMUYLUCAB-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
C=CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2OC)C1	ZINC000661379562	431836333	/nfs/dbraw/zinc/83/63/33/431836333.db2.gz	ZRDPTZCSTBKSRH-HOTGVXAUSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(OC)cc2)C1	ZINC000661378594	431836404	/nfs/dbraw/zinc/83/64/04/431836404.db2.gz	JOLSEWLPIHWQPI-MRXNPFEDSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2cc(F)cc(F)c2)C1	ZINC000661379680	431838271	/nfs/dbraw/zinc/83/82/71/431838271.db2.gz	GKUXWTZUQRDPII-ZDUSSCGKSA-N	0	3	308.372	2.869	20	30		DFEDHN
CC[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CCOC	ZINC000118398136	288297529	/nfs/dbraw/zinc/29/75/29/288297529.db2.gz	NZHSQLYUUXYBRO-YJBOKZPZSA-N	0	3	301.434	2.662	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(NC[C@H](O)CN3CCCCC3)c2c1	ZINC000291684043	281165603	/nfs/dbraw/zinc/16/56/03/281165603.db2.gz	RSCGZWHNLHZCOK-INIZCTEOSA-N	0	3	324.428	2.674	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)CCc1nccs1	ZINC000157627229	295351442	/nfs/dbraw/zinc/35/14/42/295351442.db2.gz	WTHQRVQZLIKDDB-UHFFFAOYSA-N	0	3	320.443	2.579	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785570	301348999	/nfs/dbraw/zinc/34/89/99/301348999.db2.gz	NBZVOLIJFGHXQE-NHYWBVRUSA-N	0	3	305.809	2.624	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3C[C@H]3Cc3ccccc3)n2c1	ZINC000540601071	301365857	/nfs/dbraw/zinc/36/58/57/301365857.db2.gz	PVZUBNGRHXXIEC-SJLPKXTDSA-N	0	3	302.381	2.927	20	30		DFEDHN
N#Cc1cnn2cc(CNCCc3ccccc3Cl)cnc12	ZINC000551228807	301657985	/nfs/dbraw/zinc/65/79/85/301657985.db2.gz	CQWQHLOKQVCITP-UHFFFAOYSA-N	0	3	311.776	2.587	20	30		DFEDHN
Cc1ccccc1[C@H](CO)NCCC(=O)Nc1ccccc1C#N	ZINC000563220873	302051731	/nfs/dbraw/zinc/05/17/31/302051731.db2.gz	BRWYBHQBPCPYAL-SFHVURJKSA-N	0	3	323.396	2.519	20	30		DFEDHN
C[C@@]12CN(CC(=O)Nc3ccc(C#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1	ZINC000563864968	302104152	/nfs/dbraw/zinc/10/41/52/302104152.db2.gz	VDVXLCOYCFZKBD-YEWFCNIMSA-N	0	3	307.397	2.641	20	30		DFEDHN
N#Cc1c(NC2CCN(C3CC3)CC2)cccc1-n1cccn1	ZINC000565222017	302209468	/nfs/dbraw/zinc/20/94/68/302209468.db2.gz	MNRJKPWXXLJTDY-UHFFFAOYSA-N	0	3	307.401	2.783	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)cn1	ZINC000566453258	302288714	/nfs/dbraw/zinc/28/87/14/302288714.db2.gz	VOSJEIXAAVYGRR-UHFFFAOYSA-N	0	3	309.373	2.623	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC2	ZINC000567654154	302376465	/nfs/dbraw/zinc/37/64/65/302376465.db2.gz	WLWWZVNRNBUPIE-WBVHZDCISA-N	0	3	321.428	2.865	20	30		DFEDHN
C[C@@]1(NCc2cnc3c(C#N)cnn3c2)C[C@H]1c1ccccc1	ZINC000569485129	302521629	/nfs/dbraw/zinc/52/16/29/302521629.db2.gz	HNANAISACHQJAN-FUHWJXTLSA-N	0	3	303.369	2.637	20	30		DFEDHN
C[C@@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1	ZINC000572553164	302669292	/nfs/dbraw/zinc/66/92/92/302669292.db2.gz	ASMUIRVSJVPFDF-INIZCTEOSA-N	0	3	306.413	2.879	20	30		DFEDHN
CCCCOC[C@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21	ZINC000573199827	302695455	/nfs/dbraw/zinc/69/54/55/302695455.db2.gz	IBMSUGWSPAZZJK-SJLPKXTDSA-N	0	3	302.418	2.703	20	30		DFEDHN
CC1(c2ccccc2)CC(NCc2cnc3c(C#N)cnn3c2)C1	ZINC000574452531	302759559	/nfs/dbraw/zinc/75/95/59/302759559.db2.gz	AUDTYZILHBYMQP-UHFFFAOYSA-N	0	3	317.396	2.811	20	30		DFEDHN
C[C@H](CC(=O)Nc1ccccc1)NCCOc1ccc(C#N)cc1	ZINC000177378198	315982770	/nfs/dbraw/zinc/98/27/70/315982770.db2.gz	PHGDUYRBMLZYNB-OAHLLOKOSA-N	0	3	323.396	2.944	20	30		DFEDHN
COC[C@H](C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000187086925	316206032	/nfs/dbraw/zinc/20/60/32/316206032.db2.gz	ZQOZMXVSNKZGIY-OAHLLOKOSA-N	0	3	324.428	2.511	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1CCCCCC1	ZINC000565554014	317925110	/nfs/dbraw/zinc/92/51/10/317925110.db2.gz	RDYGPABWVMRQSG-GFCCVEGCSA-N	0	3	321.371	2.717	20	30		DFEDHN
C[C@@H](c1ccco1)N(C[C@@H]1CNc2c(C#N)cnn2C1)C1CC1	ZINC000572763829	318003175	/nfs/dbraw/zinc/00/31/75/318003175.db2.gz	CNTJSWZAVUNNNI-STQMWFEESA-N	0	3	311.389	2.615	20	30		DFEDHN
N#Cc1cnn2cc(CNCC3(c4cccc(F)c4)CC3)cnc12	ZINC000577514836	318198720	/nfs/dbraw/zinc/19/87/20/318198720.db2.gz	JRQPBCSYGDTHFT-UHFFFAOYSA-N	0	3	321.359	2.561	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCOC[C@H]2C)CC1	ZINC000578710349	318278729	/nfs/dbraw/zinc/27/87/29/318278729.db2.gz	GMOQVAFZXPFRLB-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2cc(C#N)ncn2)CC1	ZINC000579189064	318312212	/nfs/dbraw/zinc/31/22/12/318312212.db2.gz	IPRUFRJDVSYMIR-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN[C@@H]2C[C@H]2CO)c1	ZINC000579309940	318320883	/nfs/dbraw/zinc/32/08/83/318320883.db2.gz	VPWXRTSCIBVECZ-PKOBYXMFSA-N	0	3	308.381	2.608	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCO[C@]3(CCSC3)C2)c1	ZINC000579833115	318357248	/nfs/dbraw/zinc/35/72/48/318357248.db2.gz	IVILDAGXBUJVNZ-QGZVFWFLSA-N	0	3	318.442	2.535	20	30		DFEDHN
CN1CCC[C@@H]1CNc1cc(Br)c(C#N)cc1F	ZINC000380822447	323292691	/nfs/dbraw/zinc/29/26/91/323292691.db2.gz	YBUCVFOATFEDSI-SNVBAGLBSA-N	0	3	312.186	2.966	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000381066703	323292867	/nfs/dbraw/zinc/29/28/67/323292867.db2.gz	NLCUCLKUZGWDMX-CHWSQXEVSA-N	0	3	303.406	2.950	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCc2ccc(C#N)o2)C1	ZINC000382485016	323300495	/nfs/dbraw/zinc/30/04/95/323300495.db2.gz	ZCILXYREYVMAPC-QWHCGFSZSA-N	0	3	319.405	2.934	20	30		DFEDHN
CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cc(C#N)n(C)c1	ZINC000387650008	323327117	/nfs/dbraw/zinc/32/71/17/323327117.db2.gz	ZTWCJQLIJWQDTO-CYBMUJFWSA-N	0	3	320.437	2.632	20	30		DFEDHN
C[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000389138831	323333912	/nfs/dbraw/zinc/33/39/12/323333912.db2.gz	OXUPXHZOGOFNEL-HOCLYGCPSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC2(C3CC3)CCC2)cc1	ZINC000391491517	323346251	/nfs/dbraw/zinc/34/62/51/323346251.db2.gz	RQUJIDHLTLTFJJ-UHFFFAOYSA-N	0	3	318.442	2.502	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc(C#N)n1	ZINC000398063207	323356926	/nfs/dbraw/zinc/35/69/26/323356926.db2.gz	NBURPDRSOXHZQG-DNVCBOLYSA-N	0	3	306.413	2.759	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCCc3occc32)cc1	ZINC000581721106	323563876	/nfs/dbraw/zinc/56/38/76/323563876.db2.gz	FVYMCZQBTPXQEE-YOEHRIQHSA-N	0	3	312.369	2.558	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2cccs2)C2CC2)CC1	ZINC000490575176	332831127	/nfs/dbraw/zinc/83/11/27/332831127.db2.gz	NENVOSCFCXUOTH-MRXNPFEDSA-N	0	3	302.443	2.661	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1ccnc(C)c1	ZINC000574912242	332847483	/nfs/dbraw/zinc/84/74/83/332847483.db2.gz	VSXGCPGYLOTCGL-SFHVURJKSA-N	0	3	312.413	2.648	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OC)c(OC(F)F)c1	ZINC000125795392	331626951	/nfs/dbraw/zinc/62/69/51/331626951.db2.gz	SWSQAFPTOZOUJR-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2cn(C)c3ccccc23)CC1	ZINC000255540304	331767591	/nfs/dbraw/zinc/76/75/91/331767591.db2.gz	QLGPJCVZXBJUNK-HJWRWDBZSA-N	0	3	323.440	2.958	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CC3CCC2CC3)CC1	ZINC000426381050	332101474	/nfs/dbraw/zinc/10/14/74/332101474.db2.gz	UWAAVFOQPSZKEJ-VMBOVVBDSA-N	0	3	305.466	2.905	20	30		DFEDHN
Cc1ccc([C@@H]2CCCCN2CCC(=O)N(C)CCC#N)o1	ZINC000092797744	332131137	/nfs/dbraw/zinc/13/11/37/332131137.db2.gz	MERWHYMYSLKRIF-HNNXBMFYSA-N	0	3	303.406	2.877	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000410544590	332150366	/nfs/dbraw/zinc/15/03/66/332150366.db2.gz	IXERVSWYAZYVPH-WXSAJPJJSA-N	0	3	311.429	2.563	20	30		DFEDHN
C=CCn1cc(CN[C@H]2CCC[C@H](c3ncccc3C)C2)nn1	ZINC000569592633	332168085	/nfs/dbraw/zinc/16/80/85/332168085.db2.gz	HFYREXBGQJUINU-HOTGVXAUSA-N	0	3	311.433	2.984	20	30		DFEDHN
C=CCSCCN[C@@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000358023899	332199681	/nfs/dbraw/zinc/19/96/81/332199681.db2.gz	LKZLWAZYTVYZRF-LBPRGKRZSA-N	0	3	314.476	2.628	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](Cc1ccccc1)C1CC1	ZINC000181559208	332199784	/nfs/dbraw/zinc/19/97/84/332199784.db2.gz	WCJFHVPYKITRNM-HKUYNNGSSA-N	0	3	313.445	2.652	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000236759269	332202292	/nfs/dbraw/zinc/20/22/92/332202292.db2.gz	MRHAZZJAGBXBJA-WMLDXEAASA-N	0	3	304.434	2.907	20	30		DFEDHN
C=CCOCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1	ZINC000292843302	335096156	/nfs/dbraw/zinc/09/61/56/335096156.db2.gz	PTALWRIMILIIRX-QGZVFWFLSA-N	0	3	317.433	2.865	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000112530028	332314059	/nfs/dbraw/zinc/31/40/59/332314059.db2.gz	IHPDMBZHUYAZBJ-HUUCEWRRSA-N	0	3	317.433	2.885	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cccc1Cl	ZINC000560318285	332329758	/nfs/dbraw/zinc/32/97/58/332329758.db2.gz	OGRAUPCPBQZLDI-KGLIPLIRSA-N	0	3	308.809	2.910	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CN)c1ccccc1	ZINC000582124548	332336289	/nfs/dbraw/zinc/33/62/89/332336289.db2.gz	JOYIFAVATAZQSF-IBGZPJMESA-N	0	3	324.424	2.952	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)[C@@H]2C)c(OC)c1	ZINC000293368933	335107582	/nfs/dbraw/zinc/10/75/82/335107582.db2.gz	IZKOOWJAXHWBNX-OFQRWUPVSA-N	0	3	305.418	2.504	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1	ZINC000245847171	332502971	/nfs/dbraw/zinc/50/29/71/332502971.db2.gz	FEDULCCENPLCBS-SOLBZPMBSA-N	0	3	316.445	2.919	20	30		DFEDHN
COc1ccc(CN[C@H]2CCO[C@@H]2C)cc1OCCCC#N	ZINC000131961815	332563425	/nfs/dbraw/zinc/56/34/25/332563425.db2.gz	IPYWWSCFEUPSKA-HIFRSBDPSA-N	0	3	304.390	2.645	20	30		DFEDHN
COC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135097000	332614960	/nfs/dbraw/zinc/61/49/60/332614960.db2.gz	TTXNCEARGAIEML-UHFFFAOYSA-N	0	3	300.402	2.873	20	30		DFEDHN
C=CCCCN(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000151933405	332648808	/nfs/dbraw/zinc/64/88/08/332648808.db2.gz	LIWVUAXKDBONMN-KRWDZBQOSA-N	0	3	303.450	2.767	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1	ZINC000171701115	332649699	/nfs/dbraw/zinc/64/96/99/332649699.db2.gz	GHMJNCIERRGPIZ-UHFFFAOYSA-N	0	3	317.477	2.761	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccccc2)n1	ZINC000152748122	332705447	/nfs/dbraw/zinc/70/54/47/332705447.db2.gz	REKDAIQJINEEMN-SQNIBIBYSA-N	0	3	322.412	2.873	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2cncc(Cl)c2)CC1	ZINC000570388069	332748554	/nfs/dbraw/zinc/74/85/54/332748554.db2.gz	CXJHGPJYOVBTJI-CQSZACIVSA-N	0	3	310.825	2.905	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1oc2ccc(F)cc2c1C	ZINC000293984178	335116423	/nfs/dbraw/zinc/11/64/23/335116423.db2.gz	NGOKMCFDFSJGNR-UHFFFAOYSA-N	0	3	302.349	2.565	20	30		DFEDHN
C=CCOCCN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000294033698	335117013	/nfs/dbraw/zinc/11/70/13/335117013.db2.gz	IECLWCASXJYFOL-NSHDSACASA-N	0	3	303.328	2.811	20	30		DFEDHN
CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCCCC#N	ZINC000171449054	333048660	/nfs/dbraw/zinc/04/86/60/333048660.db2.gz	GXUCJBZRVUKVGE-UHFFFAOYSA-N	0	3	320.412	2.593	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]2CC(=Nn3cnnc3)CC[C@H]21	ZINC000497148539	333087020	/nfs/dbraw/zinc/08/70/20/333087020.db2.gz	HVRLJMOKJZZZKS-TZMCWYRMSA-N	0	3	319.409	2.682	20	30		DFEDHN
C#CCO[C@@H](C)C(=O)Nc1cccc(CN2CCCCC2)c1	ZINC000294329911	335121313	/nfs/dbraw/zinc/12/13/13/335121313.db2.gz	DWCSMPGQDXWISF-HNNXBMFYSA-N	0	3	300.402	2.649	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](OC)C1)C(C)C	ZINC000187847618	333150502	/nfs/dbraw/zinc/15/05/02/333150502.db2.gz	BZHVNWMATNPNRB-IXDOHACOSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCOCCN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000294674298	335125349	/nfs/dbraw/zinc/12/53/49/335125349.db2.gz	SAXYXROUMSLIPP-DOMZBBRYSA-N	0	3	304.390	2.649	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000180148377	333158802	/nfs/dbraw/zinc/15/88/02/333158802.db2.gz	KVGXLXCVJNNEQZ-OALUTQOASA-N	0	3	319.408	2.928	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)CC1	ZINC000180193261	333159420	/nfs/dbraw/zinc/15/94/20/333159420.db2.gz	PPSRSAAEGFYMSM-GOSISDBHSA-N	0	3	323.440	2.942	20	30		DFEDHN
CC(C)C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N(C)C	ZINC000180389724	333161336	/nfs/dbraw/zinc/16/13/36/333161336.db2.gz	PWHSCPOAFLUPRH-QGZVFWFLSA-N	0	3	313.445	2.948	20	30		DFEDHN
CN1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000180629199	333163890	/nfs/dbraw/zinc/16/38/90/333163890.db2.gz	FYPCHEOKYCRGLS-UHFFFAOYSA-N	0	3	300.406	2.657	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1	ZINC000181542698	333169877	/nfs/dbraw/zinc/16/98/77/333169877.db2.gz	VOZUFZSXBZADFR-RKVPGOIHSA-N	0	3	301.434	2.823	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)C(C)(C)c1ccccc1	ZINC000181780153	333172409	/nfs/dbraw/zinc/17/24/09/333172409.db2.gz	CGPTYTKETKLHDT-HZPDHXFCSA-N	0	3	315.461	2.950	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000294766254	335127608	/nfs/dbraw/zinc/12/76/08/335127608.db2.gz	BMJSTMVKIYMPHU-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ocnc2-c2ccccc2)CC1	ZINC000294762303	335127215	/nfs/dbraw/zinc/12/72/15/335127215.db2.gz	YGQLNONGODCHAB-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc3c2OCCC3)CC1	ZINC000363873764	333187890	/nfs/dbraw/zinc/18/78/90/333187890.db2.gz	STSGGABZSWTMJK-UHFFFAOYSA-N	0	3	315.417	2.784	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000309877294	333204676	/nfs/dbraw/zinc/20/46/76/333204676.db2.gz	ILUSXEPTTMOFPX-RTBURBONSA-N	0	3	313.445	2.955	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2cccc(CN3CCOCC3)c2)C1	ZINC000185712245	333212617	/nfs/dbraw/zinc/21/26/17/333212617.db2.gz	RUHLVDNKQQFKGZ-VQIMIIECSA-N	0	3	313.445	2.691	20	30		DFEDHN
COc1cc(OC)cc(OCCN[C@H]2CCC[C@H](C#N)C2)c1	ZINC000185863221	333215198	/nfs/dbraw/zinc/21/51/98/333215198.db2.gz	HGGBEVQLWGDEQF-KBPBESRZSA-N	0	3	304.390	2.755	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000364058961	333228662	/nfs/dbraw/zinc/22/86/62/333228662.db2.gz	IYHOYDVQBYSTLG-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000364058960	333228785	/nfs/dbraw/zinc/22/87/85/333228785.db2.gz	IYHOYDVQBYSTLG-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21	ZINC000364148990	333247761	/nfs/dbraw/zinc/24/77/61/333247761.db2.gz	JXHSOKXFVKRSSA-ZACQAIPSSA-N	0	3	323.481	2.900	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1OCCCC#N	ZINC000189338463	333257048	/nfs/dbraw/zinc/25/70/48/333257048.db2.gz	LJWSRLOOQGQMOV-DLBZAZTESA-N	0	3	318.417	2.627	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1	ZINC000364198442	333271482	/nfs/dbraw/zinc/27/14/82/333271482.db2.gz	ZYYSABCOPLMJGS-IRXDYDNUSA-N	0	3	302.393	2.847	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@H]2CO)cc1OCCCC#N	ZINC000191180501	333278144	/nfs/dbraw/zinc/27/81/44/333278144.db2.gz	LNANQTHWXXVDBR-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NC1CCN(CCc2ccncc2)CC1	ZINC000364306573	333284991	/nfs/dbraw/zinc/28/49/91/333284991.db2.gz	HOCNCLBCDJYVDK-MRXNPFEDSA-N	0	3	315.461	2.807	20	30		DFEDHN
COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)cc(OC)c1OC	ZINC000192616440	333290584	/nfs/dbraw/zinc/29/05/84/333290584.db2.gz	HMDRDMHFOPLLKI-TZMCWYRMSA-N	0	3	304.390	2.884	20	30		DFEDHN
CC(C)(CCC#N)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000364338815	333291359	/nfs/dbraw/zinc/29/13/59/333291359.db2.gz	PNBKULDJYMJDMS-ZDUSSCGKSA-N	0	3	305.382	2.758	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCc3nnc(CC)n3C2)c1	ZINC000364423299	333312684	/nfs/dbraw/zinc/31/26/84/333312684.db2.gz	RYHVGPMLHVLUPO-OAHLLOKOSA-N	0	3	312.417	2.510	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1	ZINC000194646131	333315106	/nfs/dbraw/zinc/31/51/06/333315106.db2.gz	LOUUTZNLNZRUOO-BYCMXARLSA-N	0	3	305.809	2.928	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](c1cccnc1)C1CCCCC1	ZINC000364518172	333324176	/nfs/dbraw/zinc/32/41/76/333324176.db2.gz	DNOBGHGHJCPFFC-WMLDXEAASA-N	0	3	301.434	2.983	20	30		DFEDHN
O=C1Nc2ccccc2[C@]12CCN(CC#Cc1ccccc1)C2	ZINC000364590045	333325073	/nfs/dbraw/zinc/32/50/73/333325073.db2.gz	PKFVDAIPHLALLI-HXUWFJFHSA-N	0	3	302.377	2.634	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccsc2)C[C@H]1C	ZINC000364625744	333325457	/nfs/dbraw/zinc/32/54/57/333325457.db2.gz	JYTKLVMKCZBZGR-NFAWXSAZSA-N	0	3	305.447	2.686	20	30		DFEDHN
C=C(C)[C@@H](N[C@@H](C)COCC(=O)OC)c1ccc(F)c(F)c1	ZINC000295407843	335133907	/nfs/dbraw/zinc/13/39/07/335133907.db2.gz	MTSNLWSLEBTOBO-MEDUHNTESA-N	0	3	313.344	2.750	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000111486413	333332736	/nfs/dbraw/zinc/33/27/36/333332736.db2.gz	DXZLYDLPKNJWIQ-HNNXBMFYSA-N	0	3	321.490	2.725	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(F)(F)C1)C(C)C	ZINC000540676491	333338945	/nfs/dbraw/zinc/33/89/45/333338945.db2.gz	IHQOQQHFNKFOPA-AWEZNQCLSA-N	0	3	315.408	2.736	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1	ZINC000119189033	333343359	/nfs/dbraw/zinc/34/33/59/333343359.db2.gz	QLDYBBJDQNJWBV-SFHVURJKSA-N	0	3	310.441	2.870	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](N2CCCCC2)C1	ZINC000369111104	333356553	/nfs/dbraw/zinc/35/65/53/333356553.db2.gz	MWOKPZJQZCTIBN-ZWKOTPCHSA-N	0	3	321.509	2.750	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000528373706	333382665	/nfs/dbraw/zinc/38/26/65/333382665.db2.gz	VAPQVADDCZPEFP-GJZGRUSLSA-N	0	3	314.385	2.607	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N(C)CC#Cc3ccccc3)C2)nn1	ZINC000365233436	333399682	/nfs/dbraw/zinc/39/96/82/333399682.db2.gz	IVNQGIHJBHJTFT-IBGZPJMESA-N	0	3	320.440	2.737	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1	ZINC000295829252	335139722	/nfs/dbraw/zinc/13/97/22/335139722.db2.gz	MJMGGIYCDUWBOU-CRAIPNDOSA-N	0	3	314.429	2.501	20	30		DFEDHN
C=CCN1CC[C@@H](NC2(c3ccc(F)cc3)CCCC2)C1=O	ZINC000337166516	333440458	/nfs/dbraw/zinc/44/04/58/333440458.db2.gz	ZUMUYXFPHALTIZ-MRXNPFEDSA-N	0	3	302.393	2.972	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000338658091	333495639	/nfs/dbraw/zinc/49/56/39/333495639.db2.gz	FYWMFTDSJNUEKV-AWEZNQCLSA-N	0	3	322.840	2.792	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1	ZINC000338673735	333495837	/nfs/dbraw/zinc/49/58/37/333495837.db2.gz	DBWKQLFAPWAXNK-QGZVFWFLSA-N	0	3	314.429	2.952	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1	ZINC000338810351	333499315	/nfs/dbraw/zinc/49/93/15/333499315.db2.gz	JOLYWAFCYFENFE-UHFFFAOYSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(CC)o1	ZINC000338956117	333503468	/nfs/dbraw/zinc/50/34/68/333503468.db2.gz	JFXXWMPHRLBGLH-BLLLJJGKSA-N	0	3	307.390	2.699	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@H]2CCCC[C@H]2C)CC1	ZINC000112905845	333514917	/nfs/dbraw/zinc/51/49/17/333514917.db2.gz	RLAKUYMDMHTBNC-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCCC[C@H]2C)CC1	ZINC000112905849	333514994	/nfs/dbraw/zinc/51/49/94/333514994.db2.gz	RLAKUYMDMHTBNC-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@H](Cc1ccccc1)N(C)C)OCC	ZINC000339441025	333525211	/nfs/dbraw/zinc/52/52/11/333525211.db2.gz	SZZKQMLMMHWQHZ-ROUUACIJSA-N	0	3	318.461	2.647	20	30		DFEDHN
Cc1nccnc1CCNCc1cccc(OCCCC#N)c1	ZINC000339531010	333527915	/nfs/dbraw/zinc/52/79/15/333527915.db2.gz	SKNDBSZNSCVUDB-UHFFFAOYSA-N	0	3	310.401	2.800	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCCCO1)C(C)C	ZINC000152066295	333592946	/nfs/dbraw/zinc/59/29/46/333592946.db2.gz	UIGIFXVWXBRZHV-SJORKVTESA-N	0	3	308.466	2.760	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1cccc(F)c1	ZINC000296943301	335150091	/nfs/dbraw/zinc/15/00/91/335150091.db2.gz	PSDYVLBNBDDKTA-KRWDZBQOSA-N	0	3	317.408	2.627	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccccc1C	ZINC000297003270	335150906	/nfs/dbraw/zinc/15/09/06/335150906.db2.gz	UENAZOUFZNDNLI-MRXNPFEDSA-N	0	3	301.434	2.653	20	30		DFEDHN
C[C@H](CCC#N)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000411434484	333671273	/nfs/dbraw/zinc/67/12/73/333671273.db2.gz	VWCMBTPQAASRFG-CVEARBPZSA-N	0	3	303.450	2.793	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000186344819	335157382	/nfs/dbraw/zinc/15/73/82/335157382.db2.gz	WVDBXEKXDNVZNK-CVEARBPZSA-N	0	3	321.465	2.512	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCO[C@H]2c2nccn2C)c1	ZINC000343405745	335162647	/nfs/dbraw/zinc/16/26/47/335162647.db2.gz	TXBQSYXRJQJRHN-DLBZAZTESA-N	0	3	313.401	2.605	20	30		DFEDHN
N#CC(C(=O)c1cnn2ccccc12)c1nc2ccccc2[nH]1	ZINC000343427332	335163984	/nfs/dbraw/zinc/16/39/84/335163984.db2.gz	RDEDXDZEXJEBMH-NSHDSACASA-N	0	3	301.309	2.701	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1cccnc1)N1CCCCCC1	ZINC000265026455	333961875	/nfs/dbraw/zinc/96/18/75/333961875.db2.gz	KFOGYYXGWICSJQ-MRXNPFEDSA-N	0	3	314.433	2.588	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(CC#N)cc1	ZINC000270334251	334011523	/nfs/dbraw/zinc/01/15/23/334011523.db2.gz	JBTBNFAFENECTF-UHFFFAOYSA-N	0	3	321.424	2.957	20	30		DFEDHN
C=CCOc1cccc(CNCC2(CS(C)(=O)=O)CCC2)c1	ZINC000414551560	334015695	/nfs/dbraw/zinc/01/56/95/334015695.db2.gz	BQNNWVDNIVWESI-UHFFFAOYSA-N	0	3	323.458	2.556	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)cc1C	ZINC000271736940	334026064	/nfs/dbraw/zinc/02/60/64/334026064.db2.gz	HSTCSNJTTXNIAH-GDBMZVCRSA-N	0	3	301.434	2.962	20	30		DFEDHN
Cc1cc([C@H](N[C@H](C)C(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000271773587	334026747	/nfs/dbraw/zinc/02/67/47/334026747.db2.gz	AHXDFZROPIARLE-CXAGYDPISA-N	0	3	317.408	2.935	20	30		DFEDHN
N#CC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCC1	ZINC000369512567	334036309	/nfs/dbraw/zinc/03/63/09/334036309.db2.gz	SWXOJRGOLJFWHG-UHFFFAOYSA-N	0	3	311.429	2.504	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCCCC#N)c1ccccc1	ZINC000273091618	334043213	/nfs/dbraw/zinc/04/32/13/334043213.db2.gz	BEVCIBBXBFRNBI-INIZCTEOSA-N	0	3	302.422	2.672	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnn1CC)C(C)C	ZINC000343504638	335172253	/nfs/dbraw/zinc/17/22/53/335172253.db2.gz	HQTOUMFJXGOYER-OAHLLOKOSA-N	0	3	319.453	2.723	20	30		DFEDHN
Cc1ccc(NC(=O)CC(C)(C)C#N)c(OCCN(C)C)c1	ZINC000278281835	334094448	/nfs/dbraw/zinc/09/44/48/334094448.db2.gz	GCSOKWCMBATOHD-UHFFFAOYSA-N	0	3	303.406	2.814	20	30		DFEDHN
COC[C@@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1	ZINC000279062007	334104967	/nfs/dbraw/zinc/10/49/67/334104967.db2.gz	LPRBPCOKYRRYMU-IAGOWNOFSA-N	0	3	302.418	2.771	20	30		DFEDHN
N#C[C@@H](c1ccccc1)N1CCN(C[C@H]2CCSC2)CC1	ZINC000279161606	334106300	/nfs/dbraw/zinc/10/63/00/334106300.db2.gz	BMUSWKQHLBJDSU-WBVHZDCISA-N	0	3	301.459	2.622	20	30		DFEDHN
CSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1	ZINC000279884221	334112657	/nfs/dbraw/zinc/11/26/57/334112657.db2.gz	CQTVUSYCNQRFKJ-OAHLLOKOSA-N	0	3	313.426	2.642	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038908	334113867	/nfs/dbraw/zinc/11/38/67/334113867.db2.gz	GOXLFZPHFFKEEG-YOEHRIQHSA-N	0	3	311.429	2.796	20	30		DFEDHN
C[C@@H](NCC1(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000366834697	335176677	/nfs/dbraw/zinc/17/66/77/335176677.db2.gz	VJYLIWNNHZVIIL-AEFFLSMTSA-N	0	3	313.445	2.559	20	30		DFEDHN
C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccccn1	ZINC000343617213	335181571	/nfs/dbraw/zinc/18/15/71/335181571.db2.gz	VSMUFSYFCIXDLF-UHFFFAOYSA-N	0	3	301.434	2.740	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1	ZINC000283075269	334139078	/nfs/dbraw/zinc/13/90/78/334139078.db2.gz	VCOCYANSFPGJNM-GOSISDBHSA-N	0	3	323.444	2.937	20	30		DFEDHN
N=C(NCCC(=O)NC1CCCCC1)Nc1cc(F)ccc1F	ZINC000288738197	334161856	/nfs/dbraw/zinc/16/18/56/334161856.db2.gz	OTLMDTNSXSFQQE-UHFFFAOYSA-N	0	3	324.375	2.530	20	30		DFEDHN
N#CCCCCNCc1cn2ccc(Br)cc2n1	ZINC000289638543	334167002	/nfs/dbraw/zinc/16/70/02/334167002.db2.gz	XLXSUYSALFJZBH-UHFFFAOYSA-N	0	3	307.195	2.880	20	30		DFEDHN
N#CCc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1	ZINC000343592732	335180229	/nfs/dbraw/zinc/18/02/29/335180229.db2.gz	ZRSAFCOPZHAIDD-UHFFFAOYSA-N	0	3	311.429	2.730	20	30		DFEDHN
C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(N2CCCNC2=O)cc1	ZINC000291160440	334177050	/nfs/dbraw/zinc/17/70/50/334177050.db2.gz	IJGZUYRMKFEAGB-LZWOXQAQSA-N	0	3	312.417	2.949	20	30		DFEDHN
CC1(C)C[C@]1(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000291612783	334180210	/nfs/dbraw/zinc/18/02/10/334180210.db2.gz	HKVUKWPQYWQXNO-LJQANCHMSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC(C)[C@H]1N(C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C	ZINC000292402557	334187676	/nfs/dbraw/zinc/18/76/76/334187676.db2.gz	JGAMDTLZPPKYLY-FUHWJXTLSA-N	0	3	316.445	2.859	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C	ZINC000292402561	334187679	/nfs/dbraw/zinc/18/76/79/334187679.db2.gz	JGAMDTLZPPKYLY-WMZOPIPTSA-N	0	3	316.445	2.859	20	30		DFEDHN
Cc1ccc2[nH]c([C@H]3CCCN(CCOCCC#N)C3)nc2c1	ZINC000293931251	334203455	/nfs/dbraw/zinc/20/34/55/334203455.db2.gz	YVUQKZFUDFZFBG-HNNXBMFYSA-N	0	3	312.417	2.981	20	30		DFEDHN
Cc1ccc2nc([C@H]3CCCN(CCOCCC#N)C3)[nH]c2c1	ZINC000293931251	334203456	/nfs/dbraw/zinc/20/34/56/334203456.db2.gz	YVUQKZFUDFZFBG-HNNXBMFYSA-N	0	3	312.417	2.981	20	30		DFEDHN
C=CCN(CCC#N)C(=O)Nc1ccccc1CCN(C)C	ZINC000297666928	334242932	/nfs/dbraw/zinc/24/29/32/334242932.db2.gz	FKJTZKDBHXMPBI-UHFFFAOYSA-N	0	3	300.406	2.724	20	30		DFEDHN
CC(C)[C@H](C/N=C/c1ccc(O)c([O-])c1O)[NH+]1CCC(C)CC1	ZINC000298431031	334248663	/nfs/dbraw/zinc/24/86/63/334248663.db2.gz	RIHGPHNAOYIXKN-RPJLVFAOSA-N	0	3	320.433	2.979	20	30		DFEDHN
CC(C)[C@@H](C/N=C/c1ccc(O)c([O-])c1O)[NH+]1CCC(C)CC1	ZINC000298431028	334248685	/nfs/dbraw/zinc/24/86/85/334248685.db2.gz	RIHGPHNAOYIXKN-GDXCHIGESA-N	0	3	320.433	2.979	20	30		DFEDHN
N#CCc1ccc(NC(=O)NCCN2CCCCCC2)cc1	ZINC000298483239	334249099	/nfs/dbraw/zinc/24/90/99/334249099.db2.gz	XEZSQISHDZNBEO-UHFFFAOYSA-N	0	3	300.406	2.750	20	30		DFEDHN
Cc1ncc(CO)c(/C=N/C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[O-]	ZINC000299077650	334252882	/nfs/dbraw/zinc/25/28/82/334252882.db2.gz	QTUVUPVXBZCTDN-VTXJYZGHSA-N	0	3	319.449	2.517	20	30		DFEDHN
CCCN(CCc1cccc(F)c1)[C@@H](C)C(=O)N(C)CCC#N	ZINC000299218943	334253877	/nfs/dbraw/zinc/25/38/77/334253877.db2.gz	IEWYDHNCYCZWDQ-HNNXBMFYSA-N	0	3	319.424	2.841	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H](SC)C1	ZINC000583481743	334263250	/nfs/dbraw/zinc/26/32/50/334263250.db2.gz	ZEXYGSUGMJUWHI-JKSUJKDBSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)C1CC1	ZINC000120047736	334298217	/nfs/dbraw/zinc/29/82/17/334298217.db2.gz	VOTADNFXMCQKTB-MRXNPFEDSA-N	0	3	322.474	2.771	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1	ZINC000121331348	334343557	/nfs/dbraw/zinc/34/35/57/334343557.db2.gz	XHGMZDVIBXZCAK-UXHICEINSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1	ZINC000111794253	334358848	/nfs/dbraw/zinc/35/88/48/334358848.db2.gz	KEYOIUAWTNBOHA-QGZVFWFLSA-N	0	3	301.434	2.897	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)CCc2ccc(C)o2)CC1	ZINC000341104208	334409234	/nfs/dbraw/zinc/40/92/34/334409234.db2.gz	MEDKOADYZJVWSK-AWEZNQCLSA-N	0	3	319.449	2.859	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(OC)ccc1OC(F)F	ZINC000341325283	334430031	/nfs/dbraw/zinc/43/00/31/334430031.db2.gz	UEQKESNHSBYPCE-NSHDSACASA-N	0	3	301.333	2.571	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2C[C@H]2C(F)F)c(-c2ccncc2)n1	ZINC000342195756	334516556	/nfs/dbraw/zinc/51/65/56/334516556.db2.gz	FXXJONJDFRLAFZ-ZIAGYGMSSA-N	0	3	317.343	2.602	20	30		DFEDHN
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCCC12CCN(C)CC2	ZINC000328839227	334759180	/nfs/dbraw/zinc/75/91/80/334759180.db2.gz	YPBLEWWMQLBPBH-CQSZACIVSA-N	0	3	321.465	2.608	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@H](C)c2c(F)cccc2OC)CC1	ZINC000330880661	334817588	/nfs/dbraw/zinc/81/75/88/334817588.db2.gz	BNXRCQNUWUCHHZ-GFCCVEGCSA-N	0	3	323.412	2.883	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cnn(C(C)(C)C)c1	ZINC000330905824	334821255	/nfs/dbraw/zinc/82/12/55/334821255.db2.gz	ZSJXNNPKHDBSIO-CYBMUJFWSA-N	0	3	321.469	2.846	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000343652915	335185345	/nfs/dbraw/zinc/18/53/45/335185345.db2.gz	HAQNUQLAJFKHLR-HNNXBMFYSA-N	0	3	317.458	2.906	20	30		DFEDHN
Cc1noc(C2(C)CCN(Cc3ccc(CC#N)cc3)CC2)n1	ZINC000343675092	335187423	/nfs/dbraw/zinc/18/74/23/335187423.db2.gz	BKVPSOORLIAFJU-UHFFFAOYSA-N	0	3	310.401	2.998	20	30		DFEDHN
COc1ccc([C@H](CCO)NCc2ccc(CC#N)cc2)cc1	ZINC000343783859	335192767	/nfs/dbraw/zinc/19/27/67/335192767.db2.gz	FLXRYRIRUVIXRC-IBGZPJMESA-N	0	3	310.397	2.975	20	30		DFEDHN
C=CCN(C(=O)C1CCN(C)CC1)c1nc2c(s1)CCCC2	ZINC000444457935	338473615	/nfs/dbraw/zinc/47/36/15/338473615.db2.gz	YIVODZZQUBPZKJ-UHFFFAOYSA-N	0	3	319.474	2.883	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCN(C2CCC2)C[C@H](C)C1)OCC	ZINC000344773731	335276668	/nfs/dbraw/zinc/27/66/68/335276668.db2.gz	LNNGDPJVHJOYLY-DOTOQJQBSA-N	0	3	308.466	2.691	20	30		DFEDHN
C[C@H](C#N)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1	ZINC000344963428	335288331	/nfs/dbraw/zinc/28/83/31/335288331.db2.gz	AGMUSTMRIVGITF-CQSZACIVSA-N	0	3	319.836	2.924	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2C[C@@H]3CCCN3C[C@@H]2C)c1C	ZINC000113269362	335300894	/nfs/dbraw/zinc/30/08/94/335300894.db2.gz	IETKPVAZBXVTKR-RDJZCZTQSA-N	0	3	315.461	2.642	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(C)C	ZINC000345133964	335304342	/nfs/dbraw/zinc/30/43/42/335304342.db2.gz	PDIZZTSLUVRDGI-SOUVJXGZSA-N	0	3	321.465	2.511	20	30		DFEDHN
CC(C#N)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000345459903	335327048	/nfs/dbraw/zinc/32/70/48/335327048.db2.gz	JQBNDKOPKZSMFF-LBPRGKRZSA-N	0	3	300.358	2.503	20	30		DFEDHN
CC(C#N)C(=O)NCCOCc1ccc(Cl)cc1Cl	ZINC000345742870	335347407	/nfs/dbraw/zinc/34/74/07/335347407.db2.gz	SIZLUJFOYBXVBW-SECBINFHSA-N	0	3	301.173	2.786	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F	ZINC000345766040	335349725	/nfs/dbraw/zinc/34/97/25/335349725.db2.gz	QDDPVOPYWDOYNL-ZJUUUORDSA-N	0	3	300.280	2.749	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cc1Cl	ZINC000345814155	335352862	/nfs/dbraw/zinc/35/28/62/335352862.db2.gz	GGBYANYTNAABAV-DZGCQCFKSA-N	0	3	322.836	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1	ZINC000345920451	335365351	/nfs/dbraw/zinc/36/53/51/335365351.db2.gz	CKHVHJBIUGNTPC-CVEARBPZSA-N	0	3	320.383	2.802	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000345997899	335368574	/nfs/dbraw/zinc/36/85/74/335368574.db2.gz	MHYKSYLKNBHHDS-JQHSSLGASA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000346267702	335396182	/nfs/dbraw/zinc/39/61/82/335396182.db2.gz	OYWORZHMRHLOBS-OKZBNKHCSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)CC1	ZINC000346790178	335441499	/nfs/dbraw/zinc/44/14/99/335441499.db2.gz	XNXRPKVOEFCRGR-IAGOWNOFSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000347592826	335513157	/nfs/dbraw/zinc/51/31/57/335513157.db2.gz	VQVSLIKLVYYCOB-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F	ZINC000348541699	335595799	/nfs/dbraw/zinc/59/57/99/335595799.db2.gz	XSXUICCZWPRRJQ-YNEHKIRRSA-N	0	3	304.381	2.549	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106252991	335796444	/nfs/dbraw/zinc/79/64/44/335796444.db2.gz	UKAKRFGJPCBWFA-UHFFFAOYSA-N	0	3	318.377	2.757	20	30		DFEDHN
CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C	ZINC000329353126	335967404	/nfs/dbraw/zinc/96/74/04/335967404.db2.gz	FBAFOJOXIUHOKG-IAOVAPTHSA-N	0	3	321.465	2.607	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000351115208	336015143	/nfs/dbraw/zinc/01/51/43/336015143.db2.gz	LYHUCPHZKGVIPU-ZIAGYGMSSA-N	0	3	315.421	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccccc2C(C)C)CC1	ZINC000520682718	336015164	/nfs/dbraw/zinc/01/51/64/336015164.db2.gz	LBZYNPUCCXLLRW-UHFFFAOYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000351116208	336015319	/nfs/dbraw/zinc/01/53/19/336015319.db2.gz	NTZDFDKUOWTOMY-LSDHHAIUSA-N	0	3	305.470	2.726	20	30		DFEDHN
C[C@H](NC(=O)CN1CC[C@@H](C(C)(C)C)C1)C(=O)N1CCCCC1	ZINC000329630597	336020238	/nfs/dbraw/zinc/02/02/38/336020238.db2.gz	HZMXTNMARRSYRE-LSDHHAIUSA-N	0	3	323.481	2.712	20	30		DFEDHN
Cn1nc2c(c1CNC(=O)[C@H](C1CC1)N1CCCC1)CCCC2	ZINC000329637647	336021220	/nfs/dbraw/zinc/02/12/20/336021220.db2.gz	VQVTVEPIPOARFY-KRWDZBQOSA-N	0	3	316.449	2.630	20	30		DFEDHN
Cn1cncc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000329698320	336053113	/nfs/dbraw/zinc/05/31/13/336053113.db2.gz	YUOLINJZJMWAGR-DOMZBBRYSA-N	0	3	318.446	2.869	20	30		DFEDHN
O=C(NC1CC(C(F)(F)F)C1)N1CCC[C@@H]1Cn1ccnc1	ZINC000329714213	336067105	/nfs/dbraw/zinc/06/71/05/336067105.db2.gz	SQDURFOEBDRHOT-HTAVTVPLSA-N	0	3	316.327	2.602	20	30		DFEDHN
O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CCCCO1	ZINC000329728313	336071190	/nfs/dbraw/zinc/07/11/90/336071190.db2.gz	FMFZDXZSUZFIEK-HNNXBMFYSA-N	0	3	310.438	2.547	20	30		DFEDHN
CCN(CCCN1CCN(c2ccccc2)CC1)C[C@H](C)C#N	ZINC000351861272	336073862	/nfs/dbraw/zinc/07/38/62/336073862.db2.gz	RSPUEEPPRKSIAC-GOSISDBHSA-N	0	3	314.477	2.680	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)C#N)C1	ZINC000351856905	336073980	/nfs/dbraw/zinc/07/39/80/336073980.db2.gz	YNZZLDIJTZGZDG-HOCLYGCPSA-N	0	3	314.433	2.671	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)NCc3cccc4cc[nH]c43)[C@H]2C1	ZINC000329793310	336082427	/nfs/dbraw/zinc/08/24/27/336082427.db2.gz	AYLZXWILPMADOY-CJNGLKHVSA-N	0	3	312.417	2.608	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1(C)C	ZINC000329794261	336082682	/nfs/dbraw/zinc/08/26/82/336082682.db2.gz	GDVMHWJVJXHDQJ-DMRZNYOFSA-N	0	3	323.481	2.565	20	30		DFEDHN
[O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@H]1C1CCC1	ZINC000329872382	336091312	/nfs/dbraw/zinc/09/13/12/336091312.db2.gz	BIVXLJHNWFTARP-ZFWWWQNUSA-N	0	3	302.422	2.624	20	30		DFEDHN
CC(C)CC[NH+]1CCC(CNC(=O)c2csc(=O)[n-]2)CC1	ZINC000329900963	336093617	/nfs/dbraw/zinc/09/36/17/336093617.db2.gz	GMFCXLRXKFDRBZ-UHFFFAOYSA-N	0	3	311.451	2.911	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H](C)C[C@@H]1CCCO1	ZINC000330180753	336121614	/nfs/dbraw/zinc/12/16/14/336121614.db2.gz	GFDBWYMDVSSUOV-KBMXLJTQSA-N	0	3	320.437	2.528	20	30		DFEDHN
CC(C)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)C1	ZINC000330199453	336123371	/nfs/dbraw/zinc/12/33/71/336123371.db2.gz	VLPXCFKLVGPYDT-ILXRZTDVSA-N	0	3	304.438	2.916	20	30		DFEDHN
CC(C)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1	ZINC000330199453	336123372	/nfs/dbraw/zinc/12/33/72/336123372.db2.gz	VLPXCFKLVGPYDT-ILXRZTDVSA-N	0	3	304.438	2.916	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1	ZINC000330205557	336124074	/nfs/dbraw/zinc/12/40/74/336124074.db2.gz	CNOBBLDPVBLPQC-HOTGVXAUSA-N	0	3	323.481	2.856	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)NC[C@H]1CCO[C@@H]1C(C)C	ZINC000330314838	336152506	/nfs/dbraw/zinc/15/25/06/336152506.db2.gz	YFORLPLIPJHAAI-XNRPHZJLSA-N	0	3	322.453	2.664	20	30		DFEDHN
CCN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCOC(C)(C)C1	ZINC000351938693	336181258	/nfs/dbraw/zinc/18/12/58/336181258.db2.gz	QUFLCWUAVKRRMY-OAHLLOKOSA-N	0	3	321.465	2.609	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@H](CCC)NC(C)C)cc1	ZINC000351965669	336183997	/nfs/dbraw/zinc/18/39/97/336183997.db2.gz	VZOQEOODQVOZKC-INIZCTEOSA-N	0	3	317.433	2.708	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1cc(C)nc2ncnn21)C(C)C	ZINC000351981925	336185660	/nfs/dbraw/zinc/18/56/60/336185660.db2.gz	BILKJAASBAVAFM-OAHLLOKOSA-N	0	3	314.437	2.543	20	30		DFEDHN
N#CC1CCC(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CC1	ZINC000333302115	336201545	/nfs/dbraw/zinc/20/15/45/336201545.db2.gz	MNGHKEBHJYZLTA-JCYILVPMSA-N	0	3	318.465	2.586	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2C[C@H](Oc3ccccc3)C2(C)C)C1=O	ZINC000352266706	336208486	/nfs/dbraw/zinc/20/84/86/336208486.db2.gz	XEBUCKQNOODGOE-ULQDDVLXSA-N	0	3	314.429	2.609	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1=O	ZINC000352266705	336208508	/nfs/dbraw/zinc/20/85/08/336208508.db2.gz	XEBUCKQNOODGOE-GVDBMIGSSA-N	0	3	314.429	2.609	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2[nH]c3ccccc3c2OC)CC1	ZINC000352269583	336209089	/nfs/dbraw/zinc/20/90/89/336209089.db2.gz	SBTVNFDAVIAVJR-UHFFFAOYSA-N	0	3	313.401	2.557	20	30		DFEDHN
C=C(C)CCN1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000352407372	336216628	/nfs/dbraw/zinc/21/66/28/336216628.db2.gz	QKPJTUVXYFXLSR-INIZCTEOSA-N	0	3	318.465	2.691	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2CN2CCCCC2)C1	ZINC000334088653	336217918	/nfs/dbraw/zinc/21/79/18/336217918.db2.gz	NAKOHBHGGDPMMZ-ULQDDVLXSA-N	0	3	318.465	2.729	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SC(C)C)cc1	ZINC000103499472	336241994	/nfs/dbraw/zinc/24/19/94/336241994.db2.gz	DIFYUZQDNPLOPZ-KGLIPLIRSA-N	0	3	304.459	2.976	20	30		DFEDHN
C=C(C)CN(CCc1cnn(CC)c1)Cc1ccc(CO)o1	ZINC000352812940	336246485	/nfs/dbraw/zinc/24/64/85/336246485.db2.gz	AVUXCQFKOUBFEP-UHFFFAOYSA-N	0	3	303.406	2.609	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(C)s1)C(C)C	ZINC000043407633	336255390	/nfs/dbraw/zinc/25/53/90/336255390.db2.gz	VHTTVLPTMMUTLG-ZDUSSCGKSA-N	0	3	323.466	2.667	20	30		DFEDHN
C=CCN1CCC(Nc2cc(COC)nc(C(C)(C)C)n2)CC1	ZINC000301809871	336331620	/nfs/dbraw/zinc/33/16/20/336331620.db2.gz	WZXSVRFTVADULU-UHFFFAOYSA-N	0	3	318.465	2.983	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc(F)c(F)c1	ZINC000418036134	336396379	/nfs/dbraw/zinc/39/63/79/336396379.db2.gz	VVPZBWPPNXDHJF-HSMVNMDESA-N	0	3	323.387	2.974	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)Cc1ccc(Br)cc1F	ZINC000353573028	336426146	/nfs/dbraw/zinc/42/61/46/336426146.db2.gz	UEAJMNRHAVUUNS-CABZTGNLSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1=O	ZINC000367156058	336428028	/nfs/dbraw/zinc/42/80/28/336428028.db2.gz	IYIHVHGFVLRBHU-ZACQAIPSSA-N	0	3	302.393	2.838	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000355089577	336494341	/nfs/dbraw/zinc/49/43/41/336494341.db2.gz	JKQGZUXKEHSEAI-CVEARBPZSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCC1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000356354987	336547296	/nfs/dbraw/zinc/54/72/96/336547296.db2.gz	BUWVIBHNAMKUCU-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356488426	336551716	/nfs/dbraw/zinc/55/17/16/336551716.db2.gz	ZALRCULMSUOLKK-QGZVFWFLSA-N	0	3	301.434	2.873	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1	ZINC000357586131	336591549	/nfs/dbraw/zinc/59/15/49/336591549.db2.gz	CVFMMAPPQZWMTH-KRWDZBQOSA-N	0	3	316.470	2.860	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000358309398	336623134	/nfs/dbraw/zinc/62/31/34/336623134.db2.gz	ZSNXKLKJCDJHBH-ZDUSSCGKSA-N	0	3	306.406	2.897	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000361369529	336753995	/nfs/dbraw/zinc/75/39/95/336753995.db2.gz	JNHVLUXKFRDEPD-SFHVURJKSA-N	0	3	313.445	2.845	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OC(C)C)C1(C)C	ZINC000361552433	336762200	/nfs/dbraw/zinc/76/22/00/336762200.db2.gz	TVRFNFHJTJHMLY-HRCADAONSA-N	0	3	310.482	2.981	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1	ZINC000362726648	336810097	/nfs/dbraw/zinc/81/00/97/336810097.db2.gz	QOSNNEVPYIPUIL-MSOLQXFVSA-N	0	3	311.429	2.631	20	30		DFEDHN
COCCn1cc2c(n1)[C@H](NCC(C)(C)CCC#N)CCC2	ZINC000368088406	336837616	/nfs/dbraw/zinc/83/76/16/336837616.db2.gz	YFUYSBCZPPKOJI-OAHLLOKOSA-N	0	3	304.438	2.826	20	30		DFEDHN
C#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1	ZINC000368571179	336848147	/nfs/dbraw/zinc/84/81/47/336848147.db2.gz	CXMWJSQLDDJVFN-IBGZPJMESA-N	0	3	310.441	2.939	20	30		DFEDHN
C=CCN(CC=C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000117342005	336854469	/nfs/dbraw/zinc/85/44/69/336854469.db2.gz	FOLFTMXNDLQTTQ-UHFFFAOYSA-N	0	3	317.345	2.567	20	30		DFEDHN
CN(C(=O)C1(C#N)CCCC1)C1CCN(c2ccncc2)CC1	ZINC000368930453	336855252	/nfs/dbraw/zinc/85/52/52/336855252.db2.gz	LPMUVPBCECGVFB-UHFFFAOYSA-N	0	3	312.417	2.593	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)C1	ZINC000371167885	336895850	/nfs/dbraw/zinc/89/58/50/336895850.db2.gz	YIMYTZZIVXCEDQ-GOSISDBHSA-N	0	3	319.408	2.886	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1	ZINC000372859373	336941234	/nfs/dbraw/zinc/94/12/34/336941234.db2.gz	RBNZLYMMBZOZHW-MSOLQXFVSA-N	0	3	323.525	2.831	20	30		DFEDHN
N#CCCCN1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1	ZINC000372942402	336943374	/nfs/dbraw/zinc/94/33/74/336943374.db2.gz	BIFPOFNADITFRP-HNNXBMFYSA-N	0	3	313.449	2.878	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1	ZINC000374981101	337000972	/nfs/dbraw/zinc/00/09/72/337000972.db2.gz	QFOVHCFXWJBQPQ-PKOBYXMFSA-N	0	3	316.445	2.778	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1Cc2ccccc2C2(CCC2)C1	ZINC000375685649	337016476	/nfs/dbraw/zinc/01/64/76/337016476.db2.gz	SUACSGKAKVGNDX-UHFFFAOYSA-N	0	3	311.429	2.686	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000375727856	337017992	/nfs/dbraw/zinc/01/79/92/337017992.db2.gz	VEONQSPWECTUNA-MRXNPFEDSA-N	0	3	305.447	2.769	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1NCCc2ccccc21	ZINC000375965869	337024442	/nfs/dbraw/zinc/02/44/42/337024442.db2.gz	UBIOGQLYHPZAHX-SFHVURJKSA-N	0	3	322.408	2.868	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@H]2CCc3nnc(CC)n3C2)cc1	ZINC000376181281	337029062	/nfs/dbraw/zinc/02/90/62/337029062.db2.gz	LINDSLLMYWPYKG-ZBFHGGJFSA-N	0	3	324.428	2.518	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC1CCN(Cc2cccc(C)c2)CC1	ZINC000376629569	337038529	/nfs/dbraw/zinc/03/85/29/337038529.db2.gz	ONWDXLWCXXAHAK-UHFFFAOYSA-N	0	3	322.452	2.738	20	30		DFEDHN
N#CCSCCCN1CCCN(C(=O)CC2CCCC2)CC1	ZINC000376665193	337039338	/nfs/dbraw/zinc/03/93/38/337039338.db2.gz	SVVYMNCTOMCGMW-UHFFFAOYSA-N	0	3	323.506	2.748	20	30		DFEDHN
COC(=O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000123212880	337040799	/nfs/dbraw/zinc/04/07/99/337040799.db2.gz	JCWOGJKFSKZSQJ-MRXNPFEDSA-N	0	3	316.401	2.754	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000377006209	337045113	/nfs/dbraw/zinc/04/51/13/337045113.db2.gz	PQZPGRBZDRCXLL-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000377094091	337046703	/nfs/dbraw/zinc/04/67/03/337046703.db2.gz	TVJAGCFSLPIJBK-WOJBJXKFSA-N	0	3	322.452	2.849	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000377693378	337058676	/nfs/dbraw/zinc/05/86/76/337058676.db2.gz	OGPBUOHPTQIVSY-ZTFGCOKTSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000377693374	337058739	/nfs/dbraw/zinc/05/87/39/337058739.db2.gz	OGPBUOHPTQIVSY-FHLIZLRMSA-N	0	3	316.445	2.702	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@@H]2CCc3nc[nH]c3C2)cc1	ZINC000377756350	337060288	/nfs/dbraw/zinc/06/02/88/337060288.db2.gz	REAFTLZUCVUDTL-ZBFHGGJFSA-N	0	3	310.401	2.910	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@H]2CCc3nc[nH]c3C2)cc1	ZINC000377756349	337060353	/nfs/dbraw/zinc/06/03/53/337060353.db2.gz	REAFTLZUCVUDTL-HOCLYGCPSA-N	0	3	310.401	2.910	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@H](c2cn(C)c3ccccc23)C1	ZINC000377940849	337064251	/nfs/dbraw/zinc/06/42/51/337064251.db2.gz	MDRZEHRNLVPNLR-CABCVRRESA-N	0	3	311.429	2.658	20	30		DFEDHN
CN1C[C@H](NC(=O)c2cccc(CC#N)c2)[C@H](c2ccccc2)C1	ZINC000378318220	337069841	/nfs/dbraw/zinc/06/98/41/337069841.db2.gz	YYSOVRDGGLFYNW-OALUTQOASA-N	0	3	319.408	2.580	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1(C)C	ZINC000378370499	337071027	/nfs/dbraw/zinc/07/10/27/337071027.db2.gz	OOMSUUKGWHLXPF-XJKSGUPXSA-N	0	3	316.401	2.608	20	30		DFEDHN
C=CCN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CC1	ZINC000378390931	337071514	/nfs/dbraw/zinc/07/15/14/337071514.db2.gz	VZCJMZUNJLVNIS-UHFFFAOYSA-N	0	3	323.506	2.708	20	30		DFEDHN
C=CCSCCNC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000171667719	337087115	/nfs/dbraw/zinc/08/71/15/337087115.db2.gz	BEPIBUNSTZDZIZ-OAHLLOKOSA-N	0	3	311.495	2.566	20	30		DFEDHN
C=CCSCCNC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000171667723	337087142	/nfs/dbraw/zinc/08/71/42/337087142.db2.gz	BEPIBUNSTZDZIZ-HNNXBMFYSA-N	0	3	311.495	2.566	20	30		DFEDHN
N#CCCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000171592218	337088204	/nfs/dbraw/zinc/08/82/04/337088204.db2.gz	UIAVBPBCNMSTQT-INIZCTEOSA-N	0	3	317.408	2.848	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1	ZINC000172185638	337090323	/nfs/dbraw/zinc/09/03/23/337090323.db2.gz	ROFXCMANQINCTN-OAHLLOKOSA-N	0	3	303.406	2.777	20	30		DFEDHN
C#CCCCNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000174455544	337142018	/nfs/dbraw/zinc/14/20/18/337142018.db2.gz	MDNXVQCAPLOIDL-UHFFFAOYSA-N	0	3	319.474	2.673	20	30		DFEDHN
CCCCCCCC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1	ZINC000176672665	337152675	/nfs/dbraw/zinc/15/26/75/337152675.db2.gz	IWXJGBVOGSCFCR-GOSISDBHSA-N	0	3	323.525	2.975	20	30		DFEDHN
N#CC1(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CCCCC1	ZINC000177283883	337156753	/nfs/dbraw/zinc/15/67/53/337156753.db2.gz	XKHWYHRORITWFR-GVDBMIGSSA-N	0	3	315.461	2.793	20	30		DFEDHN
CC(=O)N1CCC(NCC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000177714515	337158771	/nfs/dbraw/zinc/15/87/71/337158771.db2.gz	AHTDRTUGQNUBCG-UHFFFAOYSA-N	0	3	324.346	2.657	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC)c2c(C)noc2C)CC1	ZINC000179358116	337167501	/nfs/dbraw/zinc/16/75/01/337167501.db2.gz	ZFWNQUORAKAIJC-OAHLLOKOSA-N	0	3	320.437	2.692	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000180684412	337177225	/nfs/dbraw/zinc/17/72/25/337177225.db2.gz	JTGMFIQLQQCYBY-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1ccc(/C=C/C)cc1OC	ZINC000181306871	337181267	/nfs/dbraw/zinc/18/12/67/337181267.db2.gz	FOYMETJYKCUUQU-FYCOFBDGSA-N	0	3	305.418	2.976	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@H](CCC)C2)CC1	ZINC000183677504	337192996	/nfs/dbraw/zinc/19/29/96/337192996.db2.gz	QVKCADCVRNWYGM-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)[C@@H](NC1CCN(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000186453748	337256439	/nfs/dbraw/zinc/25/64/39/337256439.db2.gz	TWMSZEOPLWUHDI-OAHLLOKOSA-N	0	3	309.360	2.715	20	30		DFEDHN
N#CCSCCCN1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000186919466	337260347	/nfs/dbraw/zinc/26/03/47/337260347.db2.gz	YACOTVLUXHYYSE-UHFFFAOYSA-N	0	3	322.449	2.842	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](Nc3ncccn3)C2)c1	ZINC000583204515	337270430	/nfs/dbraw/zinc/27/04/30/337270430.db2.gz	WUWFUABSHNNLIV-MRXNPFEDSA-N	0	3	310.401	2.728	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1	ZINC000188887127	337275234	/nfs/dbraw/zinc/27/52/34/337275234.db2.gz	GVJKXPLEUITWSQ-INIZCTEOSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H]2CCCO2)CC1	ZINC000189245897	337277473	/nfs/dbraw/zinc/27/74/73/337277473.db2.gz	MMONGIXIJWGEEF-NVXWUHKLSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)COc1cccc2ccccc21	ZINC000191084345	337293705	/nfs/dbraw/zinc/29/37/05/337293705.db2.gz	VXMSTHFZJJVHBZ-KRWDZBQOSA-N	0	3	315.413	2.714	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1	ZINC000398164778	337307851	/nfs/dbraw/zinc/30/78/51/337307851.db2.gz	LZXWDNFNDFYXLM-HLCARVAJSA-N	0	3	311.429	2.705	20	30		DFEDHN
C=CCCCCCN1CCC(NS(=O)(=O)CCC)CC1	ZINC000193309735	337309742	/nfs/dbraw/zinc/30/97/42/337309742.db2.gz	KQZYFLXVNOOZMF-UHFFFAOYSA-N	0	3	302.484	2.527	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2ncc(C#N)cc2C)N(C)C)cc1	ZINC000584483082	337349100	/nfs/dbraw/zinc/34/91/00/337349100.db2.gz	YUEKQAJISTVMMU-KRWDZBQOSA-N	0	3	322.412	2.603	20	30		DFEDHN
COc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1OCCCC#N	ZINC000584590270	337368631	/nfs/dbraw/zinc/36/86/31/337368631.db2.gz	SYVRKFTYZFAUPP-HIFRSBDPSA-N	0	3	304.390	2.645	20	30		DFEDHN
COc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1OCCCC#N	ZINC000584590272	337368659	/nfs/dbraw/zinc/36/86/59/337368659.db2.gz	SYVRKFTYZFAUPP-ZFWWWQNUSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NC[C@@H](N)c1ccccc1CC	ZINC000418660405	337388412	/nfs/dbraw/zinc/38/84/12/337388412.db2.gz	YPPCIJHNXZSGAF-DOTOQJQBSA-N	0	3	301.434	2.999	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CCC(C)CC2)c(OC)c1	ZINC000046346196	337425201	/nfs/dbraw/zinc/42/52/01/337425201.db2.gz	NPRSRBXEEOQKQN-QGZVFWFLSA-N	0	3	319.445	2.895	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNC[C@H](C)C(F)(F)F	ZINC000564075960	337451996	/nfs/dbraw/zinc/45/19/96/337451996.db2.gz	AZGLGGGLFKNOHT-JSGCOSHPSA-N	0	3	317.351	2.943	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)NCC1(CC#N)CC1	ZINC000432594838	337606851	/nfs/dbraw/zinc/60/68/51/337606851.db2.gz	UZMNQHHHQNVFCA-UHFFFAOYSA-N	0	3	300.406	2.606	20	30		DFEDHN
C=CCOc1cccc(CN2CCNC[C@@H]2c2ccncc2)c1	ZINC000261933872	337612764	/nfs/dbraw/zinc/61/27/64/337612764.db2.gz	CZXCAPCKCVARID-LJQANCHMSA-N	0	3	309.413	2.793	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1cccnc1)C(C)C	ZINC000079045571	337613483	/nfs/dbraw/zinc/61/34/83/337613483.db2.gz	DMYSDYWUSSNPON-KRWDZBQOSA-N	0	3	316.449	2.579	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)nc(-c3cccnc3)n2)CC1	ZINC000264497588	337632509	/nfs/dbraw/zinc/63/25/09/337632509.db2.gz	XNLSSVWUBNBKSI-UHFFFAOYSA-N	0	3	309.417	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccc(F)cc2)CC1	ZINC000264442880	337632572	/nfs/dbraw/zinc/63/25/72/337632572.db2.gz	XCLLWUHISFTXTQ-CQSZACIVSA-N	0	3	319.424	2.879	20	30		DFEDHN
CCOc1ccccc1[C@H](CC)NC(=O)[C@@H](N)CCCC#N	ZINC000424086316	337731950	/nfs/dbraw/zinc/73/19/50/337731950.db2.gz	GMNWDRPRWAMFNC-GJZGRUSLSA-N	0	3	303.406	2.674	20	30		DFEDHN
CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cccc(OC)c1	ZINC000424101029	337736596	/nfs/dbraw/zinc/73/65/96/337736596.db2.gz	XSUMDQAATKRKRQ-CZUORRHYSA-N	0	3	303.406	2.626	20	30		DFEDHN
C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424123882	337748585	/nfs/dbraw/zinc/74/85/85/337748585.db2.gz	LBGFORRWVSZGTN-HKUYNNGSSA-N	0	3	313.445	2.879	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@@H](N)CCCC#N	ZINC000424124999	337749365	/nfs/dbraw/zinc/74/93/65/337749365.db2.gz	NEZZXHFVAGXRTR-IRXDYDNUSA-N	0	3	301.434	2.877	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424127499	337749925	/nfs/dbraw/zinc/74/99/25/337749925.db2.gz	PYLQIYNHNPBWHN-UHOFOFEASA-N	0	3	303.381	2.756	20	30		DFEDHN
C=CCc1cc(CN[C@]23C[C@H]2COC3(C)C)cc(OC)c1O	ZINC000527766880	337762232	/nfs/dbraw/zinc/76/22/32/337762232.db2.gz	QSSOBSLSUTYRGO-KBXCAEBGSA-N	0	3	303.402	2.786	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OCc2ccncc2)cc1	ZINC000424156672	337783966	/nfs/dbraw/zinc/78/39/66/337783966.db2.gz	ONVRHIMJSZVXJH-QGZVFWFLSA-N	0	3	324.384	2.620	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Cl)c1	ZINC000424157371	337784366	/nfs/dbraw/zinc/78/43/66/337784366.db2.gz	SGQFAGURVTVZKU-HIFRSBDPSA-N	0	3	323.824	2.635	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1nc2ccc(Cl)cc2n1C	ZINC000424167470	337790372	/nfs/dbraw/zinc/79/03/72/337790372.db2.gz	DUESVOZCNRKNIX-NHYWBVRUSA-N	0	3	305.809	2.907	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc2cccc(F)c2o1	ZINC000424168228	337790726	/nfs/dbraw/zinc/79/07/26/337790726.db2.gz	IBODOCVENPEBQO-GXFFZTMASA-N	0	3	303.337	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCCC1	ZINC000424172205	337792448	/nfs/dbraw/zinc/79/24/48/337792448.db2.gz	NNPLSUDUCBWIEA-KRWDZBQOSA-N	0	3	313.445	2.927	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)[C@@H](C)c2ccc(OC)cc2)nn1	ZINC000424291679	337816332	/nfs/dbraw/zinc/81/63/32/337816332.db2.gz	FAQJBMYNGTVIOS-ZIAGYGMSSA-N	0	3	300.406	2.755	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1	ZINC000108707413	337839452	/nfs/dbraw/zinc/83/94/52/337839452.db2.gz	QUYKNYIBVJZGEA-LJQANCHMSA-N	0	3	312.457	2.888	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CC(=O)NC)CC2)cc1	ZINC000093587700	337918901	/nfs/dbraw/zinc/91/89/01/337918901.db2.gz	XPHCTQMAHCKKDC-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
CC[C@]1(O)CCN(Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000428433890	338051182	/nfs/dbraw/zinc/05/11/82/338051182.db2.gz	FGNXFDMVFCQBGF-SFHVURJKSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@H]2CCO)ccc1OC	ZINC000428472144	338054139	/nfs/dbraw/zinc/05/41/39/338054139.db2.gz	FTVVRNSFDSXYBQ-MRXNPFEDSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCCC1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1	ZINC000428537940	338055756	/nfs/dbraw/zinc/05/57/56/338055756.db2.gz	WCDXFKWTLRPNBE-QGZVFWFLSA-N	0	3	314.429	2.938	20	30		DFEDHN
CC#CCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1	ZINC000429116811	338071161	/nfs/dbraw/zinc/07/11/61/338071161.db2.gz	OHPKPHXLRVTRFL-JKSUJKDBSA-N	0	3	305.805	2.942	20	30		DFEDHN
CCC1(CC)[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1OC	ZINC000429311869	338077353	/nfs/dbraw/zinc/07/73/53/338077353.db2.gz	VRXLLXKGYOSGRJ-PNBKFKSVSA-N	0	3	323.481	2.613	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1C	ZINC000429707907	338087817	/nfs/dbraw/zinc/08/78/17/338087817.db2.gz	KEGLRRNGHZCIOM-INIZCTEOSA-N	0	3	303.450	2.762	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OCC)C12CCCCC2	ZINC000429762924	338089275	/nfs/dbraw/zinc/08/92/75/338089275.db2.gz	RBSDMUDFOKBZFO-DLBZAZTESA-N	0	3	320.477	2.905	20	30		DFEDHN
CNC(=O)[C@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000429782332	338089730	/nfs/dbraw/zinc/08/97/30/338089730.db2.gz	FTGBAAFCQUTJME-GJZGRUSLSA-N	0	3	324.346	2.561	20	30		DFEDHN
C=C(C)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000430384584	338106090	/nfs/dbraw/zinc/10/60/90/338106090.db2.gz	GLXPMVWGMPYWIG-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CC[C@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000431152654	338124218	/nfs/dbraw/zinc/12/42/18/338124218.db2.gz	WETWVVBMNBXACL-LBPRGKRZSA-N	0	3	305.426	2.544	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000431152653	338124251	/nfs/dbraw/zinc/12/42/51/338124251.db2.gz	WETWVVBMNBXACL-GFCCVEGCSA-N	0	3	305.426	2.544	20	30		DFEDHN
C=CCOc1ccccc1CN(C)CCCNC(=O)C1CCC1	ZINC000432795944	338168422	/nfs/dbraw/zinc/16/84/22/338168422.db2.gz	ZNOLKPGPNLRZPI-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
N#CCCC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000433032145	338177366	/nfs/dbraw/zinc/17/73/66/338177366.db2.gz	LFHYSUAKOZZWFK-HNNXBMFYSA-N	0	3	313.361	2.816	20	30		DFEDHN
N#Cc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1	ZINC000433235852	338187106	/nfs/dbraw/zinc/18/71/06/338187106.db2.gz	WXFCQMMNLCQMQP-GOSISDBHSA-N	0	3	303.365	2.947	20	30		DFEDHN
COC(=O)CCN(C(=O)C(C#N)CCc1ccccc1)C(C)C	ZINC000433348354	338193503	/nfs/dbraw/zinc/19/35/03/338193503.db2.gz	UULUJMBBOBMLRO-INIZCTEOSA-N	0	3	316.401	2.559	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1	ZINC000433373150	338194123	/nfs/dbraw/zinc/19/41/23/338194123.db2.gz	JJTYEKLLEUIGTC-ROUUACIJSA-N	0	3	308.381	2.609	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CCO)c1ccccc1	ZINC000433380856	338194278	/nfs/dbraw/zinc/19/42/78/338194278.db2.gz	FZIBLCAWAGQRJW-MOPGFXCFSA-N	0	3	322.408	2.999	20	30		DFEDHN
CN(CCc1nccs1)C(=O)C(C#N)CCc1ccccc1	ZINC000433378825	338194319	/nfs/dbraw/zinc/19/43/19/338194319.db2.gz	RHINEBQELBIUDR-OAHLLOKOSA-N	0	3	313.426	2.917	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](CC(F)(F)F)C2)CC1	ZINC000433903263	338204526	/nfs/dbraw/zinc/20/45/26/338204526.db2.gz	HCAKWBDNWBTOQN-GFCCVEGCSA-N	0	3	319.371	2.621	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](c2cccnc2)C(C)C)CC1	ZINC000435699277	338245710	/nfs/dbraw/zinc/24/57/10/338245710.db2.gz	ZJXPMFYPPWQNIA-KRWDZBQOSA-N	0	3	301.434	2.588	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](CO)C2)cc1OCCCC#N	ZINC000154598026	338247186	/nfs/dbraw/zinc/24/71/86/338247186.db2.gz	JNZOKTYFQVTWMC-MRXNPFEDSA-N	0	3	318.417	2.582	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1	ZINC000437500547	338311818	/nfs/dbraw/zinc/31/18/18/338311818.db2.gz	MMTNBHJMSAQLDG-BBWFWOEESA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NCc1ccc(CN(C)C)cc1	ZINC000437626754	338316562	/nfs/dbraw/zinc/31/65/62/338316562.db2.gz	IZTDYTAEPSNXHX-GOSISDBHSA-N	0	3	304.434	2.593	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000448604565	338346321	/nfs/dbraw/zinc/34/63/21/338346321.db2.gz	DLOFLCYONKKVPO-BEFAXECRSA-N	0	3	311.429	2.838	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000448604568	338346338	/nfs/dbraw/zinc/34/63/38/338346338.db2.gz	DLOFLCYONKKVPO-KXBFYZLASA-N	0	3	311.429	2.838	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1noc(-c2ccsc2)n1	ZINC000439001820	338358122	/nfs/dbraw/zinc/35/81/22/338358122.db2.gz	MGVMMCAUISZBJU-UHFFFAOYSA-N	0	3	306.435	2.738	20	30		DFEDHN
CCN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000439140187	338362237	/nfs/dbraw/zinc/36/22/37/338362237.db2.gz	ZYIZBWOLTWPJKW-INIZCTEOSA-N	0	3	317.408	2.800	20	30		DFEDHN
N#CC1(CN2CCC(CCCN3CCOCC3)CC2)CCC1	ZINC000450715014	338700693	/nfs/dbraw/zinc/70/06/93/338700693.db2.gz	WHNNBPYVFUMPLG-UHFFFAOYSA-N	0	3	305.466	2.505	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000451607073	338740233	/nfs/dbraw/zinc/74/02/33/338740233.db2.gz	OMNMBGKPDCHGLM-SZXPJGKVSA-N	0	3	314.429	2.676	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453359106	338831102	/nfs/dbraw/zinc/83/11/02/338831102.db2.gz	NMSXNIGYOKZTRF-XYPHTWIQSA-N	0	3	300.402	2.808	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)N(C)C	ZINC000455434774	338894308	/nfs/dbraw/zinc/89/43/08/338894308.db2.gz	QRABHNLIAYRFEW-HOCLYGCPSA-N	0	3	302.422	2.671	20	30		DFEDHN
C=C(CC)CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000459082902	339013167	/nfs/dbraw/zinc/01/31/67/339013167.db2.gz	SMNYCUZJSBXGBP-IRXDYDNUSA-N	0	3	316.449	2.682	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1	ZINC000459483280	339032108	/nfs/dbraw/zinc/03/21/08/339032108.db2.gz	MQBKPLAUFVLKMO-MWQQHZPXSA-N	0	3	307.459	2.851	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000466034880	339191346	/nfs/dbraw/zinc/19/13/46/339191346.db2.gz	FREOXINIJMNJPK-SJLPKXTDSA-N	0	3	315.461	2.909	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)c2ccccc2F)CC1	ZINC000491093415	339848554	/nfs/dbraw/zinc/84/85/54/339848554.db2.gz	FNAVDXHFPWBJBH-UHFFFAOYSA-N	0	3	302.393	2.522	20	30		DFEDHN
C#C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)(C)C	ZINC000491650622	339871161	/nfs/dbraw/zinc/87/11/61/339871161.db2.gz	ARNHCKNFMVQWJO-MRXNPFEDSA-N	0	3	301.434	2.595	20	30		DFEDHN
C#CC[C@@H](CC(F)(F)F)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000495884911	339994010	/nfs/dbraw/zinc/99/40/10/339994010.db2.gz	JWJKDWVZUYYTCU-NWDGAFQWSA-N	0	3	320.355	2.930	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1CCN([C@@H]2CC[C@H](C#N)C2)CC1	ZINC000495957273	339995439	/nfs/dbraw/zinc/99/54/39/339995439.db2.gz	MMEGDWXZSQTHGX-LSDHHAIUSA-N	0	3	307.438	2.915	20	30		DFEDHN
CCN(C)C(=O)OC[C@@H]1CCCCN1CCCSCC#N	ZINC000496877360	340015165	/nfs/dbraw/zinc/01/51/65/340015165.db2.gz	UTZDXDMDQOOXQX-AWEZNQCLSA-N	0	3	313.467	2.576	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1(CN2CCC(C)(C#N)CC2)CC1	ZINC000496946138	340016788	/nfs/dbraw/zinc/01/67/88/340016788.db2.gz	QUZICUHIWKLOEU-UHFFFAOYSA-N	0	3	307.438	2.917	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000499897309	340046671	/nfs/dbraw/zinc/04/66/71/340046671.db2.gz	QPAQCBSJGOKYJV-QJPTWQEYSA-N	0	3	319.371	2.704	20	30		DFEDHN
C#CCN(C[C@@H](O)COc1cccc(C(C)=O)c1)C1CCCC1	ZINC000305037706	340374437	/nfs/dbraw/zinc/37/44/37/340374437.db2.gz	ZGTWFVOSJAZYOB-GOSISDBHSA-N	0	3	315.413	2.507	20	30		DFEDHN
C=CCCCN(C)C(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000173920151	340377809	/nfs/dbraw/zinc/37/78/09/340377809.db2.gz	MTTQCPKLCMPXGP-UHFFFAOYSA-N	0	3	315.461	2.867	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](SCC)C2)CC1	ZINC000176755002	340431048	/nfs/dbraw/zinc/43/10/48/340431048.db2.gz	YBZWUIUXROUCNS-HOTGVXAUSA-N	0	3	308.491	2.512	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)OC2CCCCC2)CC1	ZINC000177551866	340441598	/nfs/dbraw/zinc/44/15/98/340441598.db2.gz	YGUPIZAWOLKMRT-KRWDZBQOSA-N	0	3	308.466	2.881	20	30		DFEDHN
N#CCC1CCN(C[C@H](O)COc2ccccc2Cl)CC1	ZINC000542881000	341024844	/nfs/dbraw/zinc/02/48/44/341024844.db2.gz	IXQBUSBMFXIHOR-AWEZNQCLSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CCc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)cc1	ZINC000545842102	341143051	/nfs/dbraw/zinc/14/30/51/341143051.db2.gz	DLTUNHKARVNWBZ-HUUCEWRRSA-N	0	3	321.384	2.658	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(C[C@@H]1CCCO1)C1CCCC1	ZINC000075831279	341184936	/nfs/dbraw/zinc/18/49/36/341184936.db2.gz	NYTUANVDHNEUPK-KRWDZBQOSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=CCCCN(C)CC(=O)NC(=O)Nc1ccc(C)cc1C	ZINC000076736874	341213144	/nfs/dbraw/zinc/21/31/44/341213144.db2.gz	UACCUXDCYLGYSY-UHFFFAOYSA-N	0	3	303.406	2.850	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000135170226	341232677	/nfs/dbraw/zinc/23/26/77/341232677.db2.gz	XPANDVQCNLFZQI-CRAIPNDOSA-N	0	3	320.433	2.529	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000079542981	341260979	/nfs/dbraw/zinc/26/09/79/341260979.db2.gz	VHDVTKXPXWSVPM-HNNXBMFYSA-N	0	3	317.458	2.906	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1OC	ZINC000136842590	341268042	/nfs/dbraw/zinc/26/80/42/341268042.db2.gz	RHUBIDAJICPPGN-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC1CCN(Cc2ccc(F)cc2)CC1	ZINC000548929080	341281348	/nfs/dbraw/zinc/28/13/48/341281348.db2.gz	KBVSEMCRUQVAFN-INIZCTEOSA-N	0	3	314.408	2.823	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(NC[C@@H](C#N)CCC#N)CC1	ZINC000552116462	341370703	/nfs/dbraw/zinc/37/07/03/341370703.db2.gz	YFJIVXSVKYLJRM-WLYUNCDWSA-N	0	3	305.422	2.920	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NCC(=O)N(CC)C[C@@H](C)C#N	ZINC000249521536	341398790	/nfs/dbraw/zinc/39/87/90/341398790.db2.gz	VSLSLWGPFKFVRH-SOUVJXGZSA-N	0	3	311.495	2.648	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)s1	ZINC000566115704	341548246	/nfs/dbraw/zinc/54/82/46/341548246.db2.gz	FXPRLLHSKWWEOG-NEPJUHHUSA-N	0	3	315.870	2.649	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000567726669	341630150	/nfs/dbraw/zinc/63/01/50/341630150.db2.gz	QNTKPGSALSDYIB-OAHLLOKOSA-N	0	3	308.809	2.501	20	30		DFEDHN
CC(C)C[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000469255539	500612358	/nfs/dbraw/zinc/61/23/58/500612358.db2.gz	ITDJOKBDUYVXCV-SFHVURJKSA-N	0	3	313.445	2.933	20	30		DFEDHN
COCC1(C#N)CCN(Cc2cc(-n3ccnc3)cs2)CC1	ZINC000342835485	500622475	/nfs/dbraw/zinc/62/24/75/500622475.db2.gz	GRYVSUIGCWJSHJ-UHFFFAOYSA-N	0	3	316.430	2.686	20	30		DFEDHN
Cc1cc(CN[C@H]2CCc3nc(C(C)C)nn3C2)ccc1C#N	ZINC000332597482	533736527	/nfs/dbraw/zinc/73/65/27/533736527.db2.gz	CDMYEVJSAAHLQX-INIZCTEOSA-N	0	3	309.417	2.686	20	30		DFEDHN
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCc1cccc(C#N)c1	ZINC000331717058	534056389	/nfs/dbraw/zinc/05/63/89/534056389.db2.gz	OYPBFPPLZRALCZ-OLMNPRSZSA-N	0	3	311.429	2.827	20	30		DFEDHN
COCC[C@@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1	ZINC000364253924	521874890	/nfs/dbraw/zinc/87/48/90/521874890.db2.gz	MOAXKSFKSMJEHB-HNNXBMFYSA-N	0	3	312.417	2.845	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCCCN2Cc2ccccc2)nn1	ZINC000301958006	534795740	/nfs/dbraw/zinc/79/57/40/534795740.db2.gz	GIYIXGZUQASFMP-QGZVFWFLSA-N	0	3	307.401	2.815	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN(Cc1ccccn1)C1CC1	ZINC000299559309	534817875	/nfs/dbraw/zinc/81/78/75/534817875.db2.gz	GNPXQQPCGIYQAL-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CCCCC3)C2)c1	ZINC000364921369	526689822	/nfs/dbraw/zinc/68/98/22/526689822.db2.gz	CTJMOZYSUJHUJS-HNNXBMFYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1O	ZINC000330718506	526731761	/nfs/dbraw/zinc/73/17/61/526731761.db2.gz	VQVXXJYFOPOCRD-IRXDYDNUSA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1O	ZINC000330718004	526732004	/nfs/dbraw/zinc/73/20/04/526732004.db2.gz	VQVXXJYFOPOCRD-DLBZAZTESA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(C)COC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C	ZINC000299448312	528100521	/nfs/dbraw/zinc/10/05/21/528100521.db2.gz	VSRLZXVQBGZHTK-SFHVURJKSA-N	0	3	304.434	2.802	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)s1	ZINC000362905016	535939044	/nfs/dbraw/zinc/93/90/44/535939044.db2.gz	QAKCQIVCQOHNPT-CQSZACIVSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N2CCOC[C@@H]2C2CC2)CCCC1(C)C	ZINC000683528302	546054204	/nfs/dbraw/zinc/05/42/04/546054204.db2.gz	VERKQBVQIIKACP-IAGOWNOFSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000684987815	546313659	/nfs/dbraw/zinc/31/36/59/546313659.db2.gz	MCPNWMATWMEHBC-IAGOWNOFSA-N	0	3	301.434	2.765	20	30		DFEDHN
C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1	ZINC000820426312	606210142	/nfs/dbraw/zinc/21/01/42/606210142.db2.gz	IBEYWIJKLVVGRJ-SNVBAGLBSA-N	0	3	310.386	2.651	20	30		DFEDHN
C=CCC[C@@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000823894245	608280953	/nfs/dbraw/zinc/28/09/53/608280953.db2.gz	LJFBVCDHVMRXSR-MRXNPFEDSA-N	0	3	313.405	2.580	20	30		DFEDHN
C=CCC[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000823894245	608280955	/nfs/dbraw/zinc/28/09/55/608280955.db2.gz	LJFBVCDHVMRXSR-MRXNPFEDSA-N	0	3	313.405	2.580	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC	ZINC000076735969	185037107	/nfs/dbraw/zinc/03/71/07/185037107.db2.gz	CTBZWFSLYBFJIW-ZDUSSCGKSA-N	0	3	306.406	2.929	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](COC)[C@H]2CCCO2)cc1OC	ZINC000278612027	214274128	/nfs/dbraw/zinc/27/41/28/214274128.db2.gz	ISZLWGIAHJUGTH-JKSUJKDBSA-N	0	3	321.417	2.544	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000079458050	185172604	/nfs/dbraw/zinc/17/26/04/185172604.db2.gz	RJRKTNAUAJHSID-SFHVURJKSA-N	0	3	316.445	2.923	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@]2(C)CCN(Cc3ccccc3)C2)n1	ZINC000310283599	231113361	/nfs/dbraw/zinc/11/33/61/231113361.db2.gz	LNSUINDCWROGLL-IBGZPJMESA-N	0	3	321.428	2.981	20	30		DFEDHN
CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@H]1C	ZINC000596176796	398348401	/nfs/dbraw/zinc/34/84/01/398348401.db2.gz	JLQYRQFCNLVAHI-CHWSQXEVSA-N	0	3	302.378	2.694	20	30		DFEDHN
CC(C)(C)OCCN1CCCN(c2ccccc2C#N)CC1	ZINC000065950518	398351653	/nfs/dbraw/zinc/35/16/53/398351653.db2.gz	XRXULRNATVKMPZ-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CC[C@@H](N4CC=CC4)C3)c2c1	ZINC000591915452	398353390	/nfs/dbraw/zinc/35/33/90/398353390.db2.gz	RHWWUIJOMIFXQK-OAHLLOKOSA-N	0	3	320.396	2.566	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N[C@@H]3C[C@H](C)N(C4CC4)C3)c2c1	ZINC000591925664	398355696	/nfs/dbraw/zinc/35/56/96/398355696.db2.gz	KGISXRTZRVSJPB-GXTWGEPZSA-N	0	3	322.412	2.574	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2c1	ZINC000591925668	398355752	/nfs/dbraw/zinc/35/57/52/398355752.db2.gz	KGISXRTZRVSJPB-TZMCWYRMSA-N	0	3	322.412	2.574	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000278899468	214480772	/nfs/dbraw/zinc/48/07/72/214480772.db2.gz	POGMFSDCBKUMTD-UHFFFAOYSA-N	0	3	322.452	2.738	20	30		DFEDHN
CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081653150	398365604	/nfs/dbraw/zinc/36/56/04/398365604.db2.gz	QUKAYDASDHVSGA-ZWKOTPCHSA-N	0	3	311.429	2.604	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)/C=C/c1ccccc1C#N	ZINC000088230355	185242813	/nfs/dbraw/zinc/24/28/13/185242813.db2.gz	BGWJZMOTACCRAN-MDZDMXLPSA-N	0	3	323.396	2.755	20	30		DFEDHN
CC(C)c1[nH]ccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000578136148	398370670	/nfs/dbraw/zinc/37/06/70/398370670.db2.gz	BMBGZBBPSZKKPL-CYBMUJFWSA-N	0	3	311.389	2.946	20	30		DFEDHN
N#Cc1cc(F)c(N2CCC(N3CCCOCC3)CC2)c(F)c1	ZINC000596269442	398373154	/nfs/dbraw/zinc/37/31/54/398373154.db2.gz	UQDSJZOEWLFDFU-UHFFFAOYSA-N	0	3	321.371	2.528	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(Cl)c1	ZINC000578859784	398376660	/nfs/dbraw/zinc/37/66/60/398376660.db2.gz	JGECLXMKMFOASE-CVEARBPZSA-N	0	3	309.841	2.587	20	30		DFEDHN
N#Cc1cnccc1CN1CCCN(Cc2ccccc2)CC1	ZINC000592058252	398378453	/nfs/dbraw/zinc/37/84/53/398378453.db2.gz	FKTUESQYTREWOR-UHFFFAOYSA-N	0	3	306.413	2.661	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(CN(CC)CC)o2)CC1	ZINC000592068997	398379107	/nfs/dbraw/zinc/37/91/07/398379107.db2.gz	CBTKSPWADUQKNZ-UHFFFAOYSA-N	0	3	319.449	2.502	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N[C@H]1CCCN2CCCC[C@H]12	ZINC000596298432	398379861	/nfs/dbraw/zinc/37/98/61/398379861.db2.gz	XBKDOLVUYXEUSD-JKSUJKDBSA-N	0	3	307.401	2.930	20	30		DFEDHN
C=CC[C@H]1N(C(=O)c2ccn(CCN(C)C)n2)CCCC1(C)C	ZINC000579491404	398381201	/nfs/dbraw/zinc/38/12/01/398381201.db2.gz	AIFRBSGEXYJJOS-MRXNPFEDSA-N	0	3	318.465	2.652	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC1(c2cccc(C)c2)CCC1	ZINC000592146061	398391036	/nfs/dbraw/zinc/39/10/36/398391036.db2.gz	MQSLANASMAVIIZ-INIZCTEOSA-N	0	3	313.445	2.972	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000581517247	398391106	/nfs/dbraw/zinc/39/11/06/398391106.db2.gz	ULCQKMXEZFEOCM-MRXNPFEDSA-N	0	3	315.465	2.795	20	30		DFEDHN
N#CC[C@@]1(O)CCN(CCCOc2cccc3ccccc32)C1	ZINC000592152135	398392881	/nfs/dbraw/zinc/39/28/81/398392881.db2.gz	ULNJKANOUKOVQO-LJQANCHMSA-N	0	3	310.397	2.959	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCC[C@H](N3CCCCC3)C2)c1	ZINC000084188353	398395538	/nfs/dbraw/zinc/39/55/38/398395538.db2.gz	DGVDEEWFAAOJEU-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
N#Cc1ccc(OCCN[C@H](CCO)c2ccccc2F)cc1	ZINC000592162192	398394409	/nfs/dbraw/zinc/39/44/09/398394409.db2.gz	VLFDVBUSFIVOBH-GOSISDBHSA-N	0	3	314.360	2.789	20	30		DFEDHN
N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCC[C@H]2C[C@H]21	ZINC000592182382	398398219	/nfs/dbraw/zinc/39/82/19/398398219.db2.gz	SEMKNRMQYXVKEO-ZLKJLUDKSA-N	0	3	303.793	2.928	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H](CCO)C(C)(C)C)c(C#N)c1C	ZINC000181461278	199299945	/nfs/dbraw/zinc/29/99/45/199299945.db2.gz	PQRATBURVVUEFW-ZDUSSCGKSA-N	0	3	323.462	2.562	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C	ZINC000596391259	398401989	/nfs/dbraw/zinc/40/19/89/398401989.db2.gz	CKFHRFSECNIRKA-XJKSGUPXSA-N	0	3	314.433	2.575	20	30		DFEDHN
N#Cc1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1	ZINC000596422562	398409168	/nfs/dbraw/zinc/40/91/68/398409168.db2.gz	FETCSZZVAHQSCE-LJQANCHMSA-N	0	3	307.397	2.737	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1cccc(C#N)c1	ZINC000085410700	398413813	/nfs/dbraw/zinc/41/38/13/398413813.db2.gz	RFVNOVLQFPVLLV-KEYYUXOJSA-N	0	3	314.433	2.601	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000596480353	398424928	/nfs/dbraw/zinc/42/49/28/398424928.db2.gz	ASUHGHSAFLEIHY-AWEZNQCLSA-N	0	3	317.437	2.721	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC2(CNC(=O)C2)CC1	ZINC000268938701	398445819	/nfs/dbraw/zinc/44/58/19/398445819.db2.gz	AVDHSXHSADNUJK-UHFFFAOYSA-N	0	3	311.429	2.590	20	30		DFEDHN
COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(C(C)(C)C#N)cc1	ZINC000585790678	398447787	/nfs/dbraw/zinc/44/77/87/398447787.db2.gz	GGMHBMVJUNPDRR-DLBZAZTESA-N	0	3	302.418	2.723	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H](CC(=O)OC(C)(C)C)CC1	ZINC000585797709	398448740	/nfs/dbraw/zinc/44/87/40/398448740.db2.gz	CCGTYQILMLGEPG-GJZGRUSLSA-N	0	3	324.465	2.511	20	30		DFEDHN
C[C@@H](CC#N)c1nc(-c2ccccc2OCCN(C)C)no1	ZINC000596584267	398454489	/nfs/dbraw/zinc/45/44/89/398454489.db2.gz	YEHAEOGOCXVXNQ-LBPRGKRZSA-N	0	3	300.362	2.694	20	30		DFEDHN
N#Cc1ccc(OC2CCN([C@@H]3CCCOC3)CC2)c(F)c1	ZINC000586783664	398458900	/nfs/dbraw/zinc/45/89/00/398458900.db2.gz	XQQRJYGFBDNSKG-CQSZACIVSA-N	0	3	304.365	2.720	20	30		DFEDHN
N#Cc1cc(NC2CCN([C@H]3CCOC3)CC2)nc2ccccc12	ZINC000089603425	398459256	/nfs/dbraw/zinc/45/92/56/398459256.db2.gz	HUUAQUJUUJWYFW-INIZCTEOSA-N	0	3	322.412	2.772	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(COC(C)C)c2)CC1	ZINC000068123161	398480447	/nfs/dbraw/zinc/48/04/47/398480447.db2.gz	OUFDJOALHNDURP-UHFFFAOYSA-N	0	3	314.429	2.895	20	30		DFEDHN
CCCN(CC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000068218140	398487217	/nfs/dbraw/zinc/48/72/17/398487217.db2.gz	OOQZOYOMDGXHQG-MRXNPFEDSA-N	0	3	317.408	2.800	20	30		DFEDHN
CCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000596724721	398486654	/nfs/dbraw/zinc/48/66/54/398486654.db2.gz	CJGBTAIXAGIYTB-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
C[C@@H](CO)[C@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000295733313	398490764	/nfs/dbraw/zinc/49/07/64/398490764.db2.gz	MDGDOYKAXCIPSX-RYUDHWBXSA-N	0	3	301.308	2.543	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccco1	ZINC000297448854	398491610	/nfs/dbraw/zinc/49/16/10/398491610.db2.gz	PTJAOIWWUXMGFN-UHFFFAOYSA-N	0	3	307.438	2.955	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C#N)CCN(C2CCC2)C1	ZINC000596754748	398493323	/nfs/dbraw/zinc/49/33/23/398493323.db2.gz	AEANHHMDUIOUET-ZOBUZTSGSA-N	0	3	318.465	2.585	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000596761810	398495643	/nfs/dbraw/zinc/49/56/43/398495643.db2.gz	NXSKABVQZCHDAL-DOTOQJQBSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000596761813	398495506	/nfs/dbraw/zinc/49/55/06/398495506.db2.gz	NXSKABVQZCHDAL-WBVHZDCISA-N	0	3	318.465	2.729	20	30		DFEDHN
CCN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCN(CC)C1	ZINC000596781623	398500382	/nfs/dbraw/zinc/50/03/82/398500382.db2.gz	BQFUYNILHGREMR-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000596781599	398500689	/nfs/dbraw/zinc/50/06/89/398500689.db2.gz	BEEAGIXUQNKYIQ-ZDUSSCGKSA-N	0	3	304.369	2.692	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c2cccnc12	ZINC000592956406	398511300	/nfs/dbraw/zinc/51/13/00/398511300.db2.gz	IZQGFJDRZUPQJL-LBPRGKRZSA-N	0	3	302.765	2.848	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1	ZINC000308183962	398513005	/nfs/dbraw/zinc/51/30/05/398513005.db2.gz	YSJPMFQZCYKNSI-WMLDXEAASA-N	0	3	321.428	2.986	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596869554	398518979	/nfs/dbraw/zinc/51/89/79/398518979.db2.gz	SYTCBNBMSXTCRN-CVEARBPZSA-N	0	3	318.465	2.586	20	30		DFEDHN
C#CCC(CC#C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000277696304	213698234	/nfs/dbraw/zinc/69/82/34/213698234.db2.gz	OAQFZPGLTCCNBQ-INIZCTEOSA-N	0	3	310.441	2.895	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCN(CC)C1	ZINC000596910810	398527830	/nfs/dbraw/zinc/52/78/30/398527830.db2.gz	IAPIQGXSARACML-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
N#Cc1ccc(OC2CC[NH+](Cc3ncccc3[O-])CC2)cc1	ZINC000589163480	398531359	/nfs/dbraw/zinc/53/13/59/398531359.db2.gz	HAYPPIXVDIEWRH-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCN(CC)C1	ZINC000596926001	398530327	/nfs/dbraw/zinc/53/03/27/398530327.db2.gz	OWFANUMMDAIALN-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCOCC2)CC1	ZINC000589159725	398531401	/nfs/dbraw/zinc/53/14/01/398531401.db2.gz	MBHRMZFBVZMUTI-VQIMIIECSA-N	0	3	313.445	2.806	20	30		DFEDHN
CCc1nc(CCNCc2cnc3ccc(C#N)cn23)cs1	ZINC000123565531	185820171	/nfs/dbraw/zinc/82/01/71/185820171.db2.gz	NPFOELPHZKMAMQ-UHFFFAOYSA-N	0	3	311.414	2.557	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000589254877	398541054	/nfs/dbraw/zinc/54/10/54/398541054.db2.gz	ROKFPLRAKMLPQO-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000596994754	398542262	/nfs/dbraw/zinc/54/22/62/398542262.db2.gz	BIUNJTAHMBPTQC-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](n4cncn4)C3)cc2)CC1	ZINC000597002953	398545317	/nfs/dbraw/zinc/54/53/17/398545317.db2.gz	JTTJKUJDNDVDRN-KRWDZBQOSA-N	0	3	307.401	2.670	20	30		DFEDHN
N#CC1(c2ccc(CN3CCSC[C@@H]3CCO)cc2)CC1	ZINC000597026211	398549797	/nfs/dbraw/zinc/54/97/97/398549797.db2.gz	FQHLMBNDIUKUIW-INIZCTEOSA-N	0	3	302.443	2.542	20	30		DFEDHN
CCN1CCCN(c2ncc(Br)cc2C#N)[C@@H](C)C1	ZINC000320931294	398551032	/nfs/dbraw/zinc/55/10/32/398551032.db2.gz	SKZMHKVUUFXGAR-NSHDSACASA-N	0	3	323.238	2.636	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCCCN2C2CC2)c1	ZINC000286962598	219246317	/nfs/dbraw/zinc/24/63/17/219246317.db2.gz	GGYPALWLQHBTPC-CQSZACIVSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccnc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1	ZINC000593138947	398556313	/nfs/dbraw/zinc/55/63/13/398556313.db2.gz	DQLSRVIIJJKUPG-WDEREUQCSA-N	0	3	313.279	2.639	20	30		DFEDHN
Cc1cc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1C#N	ZINC000589521396	398559051	/nfs/dbraw/zinc/55/90/51/398559051.db2.gz	ZFXRBRYBTGJKFC-MSOLQXFVSA-N	0	3	314.429	2.667	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CN[C@H]2CCC[C@H]2C#N)cn1	ZINC000597084143	398564030	/nfs/dbraw/zinc/56/40/30/398564030.db2.gz	XOQLOMZUIXMVCO-NXNVCVFFSA-N	0	3	302.422	2.653	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCC[C@@H]1C#N	ZINC000597083582	398564144	/nfs/dbraw/zinc/56/41/44/398564144.db2.gz	SRBPHHUWQMAVKB-JYYAWHABSA-N	0	3	302.422	2.653	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1nccn1CC(F)(F)F	ZINC000280543032	334968070	/nfs/dbraw/zinc/96/80/70/334968070.db2.gz	DBUNQPMSUDKZTQ-AAEUAGOBSA-N	0	3	303.328	2.516	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@H]1CCO[C@@]2(CCSC2)C1	ZINC000589821374	398577212	/nfs/dbraw/zinc/57/72/12/398577212.db2.gz	RCBBWYARMGRAGW-BBRMVZONSA-N	0	3	306.406	2.842	20	30		DFEDHN
COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000597177439	398582516	/nfs/dbraw/zinc/58/25/16/398582516.db2.gz	MIOFXNVDWXHUJN-GJZGRUSLSA-N	0	3	316.401	2.753	20	30		DFEDHN
N#CC[C@H]1CCCN(Cc2ccc(O[C@@H]3CCOC3)cc2)C1	ZINC000597177968	398583260	/nfs/dbraw/zinc/58/32/60/398583260.db2.gz	SSXRHKVVWCDRKN-CRAIPNDOSA-N	0	3	300.402	2.980	20	30		DFEDHN
CN1CCC(N(Cc2ccccc2)C(=O)c2cc(C#N)c[nH]2)CC1	ZINC000084058552	192397626	/nfs/dbraw/zinc/39/76/26/192397626.db2.gz	MEWNJVCYQSNBJN-UHFFFAOYSA-N	0	3	322.412	2.623	20	30		DFEDHN
N#CCc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1	ZINC000042381343	398589102	/nfs/dbraw/zinc/58/91/02/398589102.db2.gz	QDCJZEKBMUGRME-LJQANCHMSA-N	0	3	319.408	2.757	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNCc2ccc(Cl)s2)cc1	ZINC000070284058	398593980	/nfs/dbraw/zinc/59/39/80/398593980.db2.gz	MAJMUBLMHIMZHR-GFCCVEGCSA-N	0	3	322.817	2.803	20	30		DFEDHN
N#Cc1cscc1C(=O)N1CCCC[C@H](N2CCCC2)C1	ZINC000590228591	398606796	/nfs/dbraw/zinc/60/67/96/398606796.db2.gz	DPUMGYCKBIFGNM-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C#N)c(F)c1	ZINC000597239041	398602489	/nfs/dbraw/zinc/60/24/89/398602489.db2.gz	IOLBPIQFPSHVHG-NVXWUHKLSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1(C#N)CC1	ZINC000590271808	398608720	/nfs/dbraw/zinc/60/87/20/398608720.db2.gz	GENVGCUAVHMEGW-MRXNPFEDSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CC1(C#N)CC1	ZINC000590289603	398610572	/nfs/dbraw/zinc/61/05/72/398610572.db2.gz	MTISMEUDMLCQQE-MRXNPFEDSA-N	0	3	311.429	2.803	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1	ZINC000593392398	398617293	/nfs/dbraw/zinc/61/72/93/398617293.db2.gz	IFYYOXGFAJCTJF-ZFWWWQNUSA-N	0	3	302.374	2.735	20	30		DFEDHN
N#CC1(CC(=O)N(CCN2CCCCCC2)C2CCC2)CC1	ZINC000590385163	398617749	/nfs/dbraw/zinc/61/77/49/398617749.db2.gz	JSXYVOPPQDHVHL-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCCC1	ZINC000593429459	398625997	/nfs/dbraw/zinc/62/59/97/398625997.db2.gz	GYTAJSRYZMQGPI-JKSUJKDBSA-N	0	3	318.465	2.729	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1	ZINC000590532215	398630148	/nfs/dbraw/zinc/63/01/48/398630148.db2.gz	SQSMRBMTQXEWNF-HNNXBMFYSA-N	0	3	317.458	2.821	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(SC)cc1	ZINC000593449940	398633276	/nfs/dbraw/zinc/63/32/76/398633276.db2.gz	HTBMCCHVQVOSSQ-FZMZJTMJSA-N	0	3	320.414	2.679	20	30		DFEDHN
C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)O1	ZINC000590648948	398645489	/nfs/dbraw/zinc/64/54/89/398645489.db2.gz	HYPPLSCOVQRVBJ-PBFPGSCMSA-N	0	3	310.401	2.614	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1	ZINC000593501792	398647746	/nfs/dbraw/zinc/64/77/46/398647746.db2.gz	AYZXNKHOTZGHGY-GWCFXTLKSA-N	0	3	308.765	2.610	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)Cc1ccon1)C(C)C	ZINC000265977802	186345467	/nfs/dbraw/zinc/34/54/67/186345467.db2.gz	VUGXSDLEVRXSAS-INIZCTEOSA-N	0	3	320.437	2.515	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3nc(C)ccc3o2)CC1	ZINC000171728391	197974277	/nfs/dbraw/zinc/97/42/77/197974277.db2.gz	LVKISUKSPYLKJW-UHFFFAOYSA-N	0	3	313.401	2.907	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1	ZINC000171976362	198018997	/nfs/dbraw/zinc/01/89/97/198018997.db2.gz	NZAXJWHFZFTNIO-CVEARBPZSA-N	0	3	320.383	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)[C@H](C)c2cccnc2)CC1	ZINC000172150971	198047463	/nfs/dbraw/zinc/04/74/63/198047463.db2.gz	OCNZKVMPHPPZNE-OAHLLOKOSA-N	0	3	316.449	2.825	20	30		DFEDHN
CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1cccc(C)c1C	ZINC000593614697	398661817	/nfs/dbraw/zinc/66/18/17/398661817.db2.gz	VOJHIFCSZATUFL-HIFRSBDPSA-N	0	3	302.374	2.574	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597584855	398664453	/nfs/dbraw/zinc/66/44/53/398664453.db2.gz	TYEIJIJDLVEEAQ-OAHLLOKOSA-N	0	3	321.371	2.687	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccccc2OC(F)F)CC1	ZINC000172380206	198088683	/nfs/dbraw/zinc/08/86/83/198088683.db2.gz	UJXUKMSGVAXEDJ-UHFFFAOYSA-N	0	3	324.371	2.597	20	30		DFEDHN
Cc1ccccc1[C@@H]1C[C@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000593660557	398667001	/nfs/dbraw/zinc/66/70/01/398667001.db2.gz	JNJMQVZYLSMQRB-DLBZAZTESA-N	0	3	303.369	2.555	20	30		DFEDHN
CC[C@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1ccccc1F	ZINC000593665303	398667799	/nfs/dbraw/zinc/66/77/99/398667799.db2.gz	ACLZLFIQQMIWAP-WBMJQRKESA-N	0	3	313.380	2.676	20	30		DFEDHN
CC[C@H](C#N)C(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1	ZINC000593687877	398671247	/nfs/dbraw/zinc/67/12/47/398671247.db2.gz	KNQLSTIERGMHET-HUUCEWRRSA-N	0	3	319.474	2.887	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCCc3c2ccc(=O)n3C)ccc1C#N	ZINC000593694932	398672163	/nfs/dbraw/zinc/67/21/63/398672163.db2.gz	UPWJCBKPOFQZJM-QGZVFWFLSA-N	0	3	307.397	2.733	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@@H](C)CC#N)C2)s1	ZINC000597642408	398672861	/nfs/dbraw/zinc/67/28/61/398672861.db2.gz	YEMXLEBFIUPINH-ZFWWWQNUSA-N	0	3	319.474	2.887	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1	ZINC000593697619	398673108	/nfs/dbraw/zinc/67/31/08/398673108.db2.gz	UKIDTUDZGHDUTL-ZWKOTPCHSA-N	0	3	315.413	2.882	20	30		DFEDHN
CCN1CCN(C[C@H](C)CNc2ccc(Cl)cc2C#N)CC1	ZINC000277167999	213341710	/nfs/dbraw/zinc/34/17/10/213341710.db2.gz	UAHOELXMTKISHE-CQSZACIVSA-N	0	3	320.868	2.897	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000593708955	398675557	/nfs/dbraw/zinc/67/55/57/398675557.db2.gz	UDBYJQIKWVGQMR-RHSMWYFYSA-N	0	3	317.433	2.742	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1	ZINC000597730188	398687722	/nfs/dbraw/zinc/68/77/22/398687722.db2.gz	YTQCLNAFNRDVMG-DOTOQJQBSA-N	0	3	308.385	2.846	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1	ZINC000106040398	398695097	/nfs/dbraw/zinc/69/50/97/398695097.db2.gz	QBMWZFJTZUQKRV-MRXNPFEDSA-N	0	3	316.445	2.919	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nnc(C3CC3)s2)CC1	ZINC000106252951	398695299	/nfs/dbraw/zinc/69/52/99/398695299.db2.gz	LDPIHHQPFDZONA-UHFFFAOYSA-N	0	3	321.450	2.578	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccccc2C)CC1	ZINC000106040093	398695394	/nfs/dbraw/zinc/69/53/94/398695394.db2.gz	HAZJGAXBYUBNBG-UHFFFAOYSA-N	0	3	302.418	2.531	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000593882683	398699879	/nfs/dbraw/zinc/69/98/79/398699879.db2.gz	JYOFZGUDRSNWSI-UHFFFAOYSA-N	0	3	311.429	2.800	20	30		DFEDHN
Cc1cc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]1	ZINC000125841629	282891406	/nfs/dbraw/zinc/89/14/06/282891406.db2.gz	YAGZHCWSEGNSGA-UHFFFAOYSA-N	0	3	324.428	2.707	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCN1C1CCCC1)C2	ZINC000593890241	398701014	/nfs/dbraw/zinc/70/10/14/398701014.db2.gz	CAKOEXGHDRHIEY-SFHVURJKSA-N	0	3	309.413	2.807	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000597856836	398705177	/nfs/dbraw/zinc/70/51/77/398705177.db2.gz	BAYRLVMNMONZER-ZDUSSCGKSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@@](CO)(NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000597840859	398703415	/nfs/dbraw/zinc/70/34/15/398703415.db2.gz	BTHXFWOYLZMPHM-XLIONFOSSA-N	0	3	322.408	2.783	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000597860207	398705983	/nfs/dbraw/zinc/70/59/83/398705983.db2.gz	LXVFBSOKOXVYOQ-DLBZAZTESA-N	0	3	313.445	2.748	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(F)cccc2SC)CC1	ZINC000281278952	334979036	/nfs/dbraw/zinc/97/90/36/334979036.db2.gz	OHZBXOSYBLRZIQ-UHFFFAOYSA-N	0	3	308.422	2.928	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCC(C)(C)CC#N	ZINC000590949151	398706542	/nfs/dbraw/zinc/70/65/42/398706542.db2.gz	PFOFVQNGDWPCNH-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](NC3CC4(CCC4)C3)C2=O)cc1	ZINC000590962723	398709651	/nfs/dbraw/zinc/70/96/51/398709651.db2.gz	RMAYUBYUDSSDSW-QGZVFWFLSA-N	0	3	309.413	2.581	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H]3COC[C@@H]32)c(-c2ccc(C#N)cc2)n1	ZINC000590972158	398711523	/nfs/dbraw/zinc/71/15/23/398711523.db2.gz	MJGAUBXAJSVXCD-AEFFLSMTSA-N	0	3	322.412	2.570	20	30		DFEDHN
Cn1c(C#N)ccc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000590979862	398711831	/nfs/dbraw/zinc/71/18/31/398711831.db2.gz	PURPYTHNJBUZSO-INIZCTEOSA-N	0	3	320.396	2.522	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C	ZINC000593982454	398713901	/nfs/dbraw/zinc/71/39/01/398713901.db2.gz	NBVNIONMTXJFSW-VKJFTORMSA-N	0	3	313.445	2.535	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000593984449	398714063	/nfs/dbraw/zinc/71/40/63/398714063.db2.gz	YPMCZIUGZDJOFM-RKVPGOIHSA-N	0	3	313.445	2.678	20	30		DFEDHN
CCN1CCN(c2cccc(NC(=O)CCCCC#N)c2)CC1	ZINC000594007189	398719805	/nfs/dbraw/zinc/71/98/05/398719805.db2.gz	LBYRKQGITOKTED-UHFFFAOYSA-N	0	3	314.433	2.851	20	30		DFEDHN
CC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000004237949	181087108	/nfs/dbraw/zinc/08/71/08/181087108.db2.gz	ZRUFBTSOCKVTAX-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000597925945	398722942	/nfs/dbraw/zinc/72/29/42/398722942.db2.gz	ZDAYTLYQXDAWSQ-RHSMWYFYSA-N	0	3	313.445	2.726	20	30		DFEDHN
CCc1csc(CC2CCN(CCOCCC#N)CC2)n1	ZINC000594019439	398723098	/nfs/dbraw/zinc/72/30/98/398723098.db2.gz	KURZVWSMGJZWOU-UHFFFAOYSA-N	0	3	307.463	2.890	20	30		DFEDHN
CC(C)OCC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033701	398726574	/nfs/dbraw/zinc/72/65/74/398726574.db2.gz	YKWXWTGJXQYISN-KRWDZBQOSA-N	0	3	302.418	2.703	20	30		DFEDHN
CC(C)N1CCC[C@H](NC2(c3ccc(C#N)cc3)CCC2)C1=O	ZINC000594032098	398726779	/nfs/dbraw/zinc/72/67/79/398726779.db2.gz	PATZPDNBPWUZEN-KRWDZBQOSA-N	0	3	311.429	2.926	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)C1=O	ZINC000594032100	398726926	/nfs/dbraw/zinc/72/69/26/398726926.db2.gz	PATZPDNBPWUZEN-QGZVFWFLSA-N	0	3	311.429	2.926	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000111693153	398728772	/nfs/dbraw/zinc/72/87/72/398728772.db2.gz	KFOZOFKBIYNCBT-ZDUSSCGKSA-N	0	3	301.390	2.621	20	30		DFEDHN
Cc1ccncc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000597978434	398731622	/nfs/dbraw/zinc/73/16/22/398731622.db2.gz	QKIXSXHUJAJMAB-KRWDZBQOSA-N	0	3	307.397	2.821	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1	ZINC000112636553	398734997	/nfs/dbraw/zinc/73/49/97/398734997.db2.gz	KVVYTPUAFPNXKU-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCN1CC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1	ZINC000591234518	398741154	/nfs/dbraw/zinc/74/11/54/398741154.db2.gz	HJIFQYMDQCQEIN-SNVBAGLBSA-N	0	3	312.200	2.689	20	30		DFEDHN
CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(CC)C1	ZINC000598042793	398742849	/nfs/dbraw/zinc/74/28/49/398742849.db2.gz	YEXYGHKVKMMMRZ-YJBOKZPZSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCCN(C(=O)Nc1scc(C)c1C#N)[C@H]1CCN(C)C1	ZINC000594106620	398744970	/nfs/dbraw/zinc/74/49/70/398744970.db2.gz	ZVFGZTMLKZYPAA-LBPRGKRZSA-N	0	3	306.435	2.876	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1scc(C)c1C#N	ZINC000594107805	398745179	/nfs/dbraw/zinc/74/51/79/398745179.db2.gz	MTWLWWAAQYGUII-GFCCVEGCSA-N	0	3	306.435	2.924	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1CC	ZINC000074492309	398749403	/nfs/dbraw/zinc/74/94/03/398749403.db2.gz	HVEXKXGDUWBFFK-AWEZNQCLSA-N	0	3	307.463	2.930	20	30		DFEDHN
N#C[C@H]1CCCC[C@@H]1NC(=O)CCN1CCc2ccccc2C1	ZINC000598086881	398751054	/nfs/dbraw/zinc/75/10/54/398751054.db2.gz	VMFILBZNYOIGDR-AEFFLSMTSA-N	0	3	311.429	2.633	20	30		DFEDHN
C[C@H](NC(=O)NCc1ccc2c(c1)CNC2)c1cccc(C#N)c1	ZINC000591353772	398751342	/nfs/dbraw/zinc/75/13/42/398751342.db2.gz	OFHGWPMTVDIRIU-ZDUSSCGKSA-N	0	3	320.396	2.722	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC1(F)F	ZINC000591377444	398754245	/nfs/dbraw/zinc/75/42/45/398754245.db2.gz	YUIQZWNODXSBFQ-TUKIKUTGSA-N	0	3	319.355	2.687	20	30		DFEDHN
COc1ccccc1[C@@H](N)CNc1nc2c(cc1C#N)CCCC2	ZINC000591424784	398758771	/nfs/dbraw/zinc/75/87/71/398758771.db2.gz	XMLNOYGPWZODQR-INIZCTEOSA-N	0	3	322.412	2.953	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)cc1	ZINC000594195144	398762611	/nfs/dbraw/zinc/76/26/11/398762611.db2.gz	CKKVIMOLRDSCOT-ZWKOTPCHSA-N	0	3	323.440	2.723	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3cncc(C#N)n3)CC2)CC1	ZINC000591460251	398763790	/nfs/dbraw/zinc/76/37/90/398763790.db2.gz	AEOZILOCZBKKFL-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
CC(C)(CNC(=O)NCc1ccc(C#N)cc1)N1CCCCC1	ZINC000047910335	398763417	/nfs/dbraw/zinc/76/34/17/398763417.db2.gz	HCZIRXCKVRKTBK-UHFFFAOYSA-N	0	3	314.433	2.622	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@](O)(C2CC2)C1	ZINC000598188393	398765984	/nfs/dbraw/zinc/76/59/84/398765984.db2.gz	SGCIRGYJVFQFBP-LPHOPBHVSA-N	0	3	312.413	2.522	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1	ZINC000598193942	398766782	/nfs/dbraw/zinc/76/67/82/398766782.db2.gz	HTGBLUXEELPESA-GWCFXTLKSA-N	0	3	323.190	2.509	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1	ZINC000594234226	398770699	/nfs/dbraw/zinc/77/06/99/398770699.db2.gz	JOUOZTURIMZGBF-JKSUJKDBSA-N	0	3	313.445	2.585	20	30		DFEDHN
COc1ccc([C@@H](NC2CCN(CC#N)CC2)C2CC2)c(F)c1	ZINC000591531596	398770083	/nfs/dbraw/zinc/77/00/83/398770083.db2.gz	MNYWSIKJJQHFDA-SFHVURJKSA-N	0	3	317.408	2.863	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000594243246	398772593	/nfs/dbraw/zinc/77/25/93/398772593.db2.gz	METDJZVQRLPPFU-LSDHHAIUSA-N	0	3	306.454	2.632	20	30		DFEDHN
Cc1nc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)oc1C	ZINC000591599894	398775063	/nfs/dbraw/zinc/77/50/63/398775063.db2.gz	KBMVVIWTMGFPJN-OAHLLOKOSA-N	0	3	312.373	2.918	20	30		DFEDHN
CCN(Cc1ccc2ccccc2c1)C(=O)[C@@]1(C#N)CCNC1	ZINC000591598429	398775328	/nfs/dbraw/zinc/77/53/28/398775328.db2.gz	WSVUIBXBPJISJX-LJQANCHMSA-N	0	3	307.397	2.692	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](CCF)C2)cc1	ZINC000598229730	398775514	/nfs/dbraw/zinc/77/55/14/398775514.db2.gz	SOEZRBCSEHSBBU-SJORKVTESA-N	0	3	313.376	2.839	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1	ZINC000591614893	398776049	/nfs/dbraw/zinc/77/60/49/398776049.db2.gz	BBIPQMCOQGWDIW-KRWDZBQOSA-N	0	3	301.390	2.553	20	30		DFEDHN
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](N)CCCC#N	ZINC000591591351	398774698	/nfs/dbraw/zinc/77/46/98/398774698.db2.gz	BFCVLRCPCHZHCQ-INIZCTEOSA-N	0	3	301.434	2.964	20	30		DFEDHN
Cc1cc(NC(=O)[C@]2(C#N)CCNC2)cc(C)c1Br	ZINC000591636501	398777780	/nfs/dbraw/zinc/77/77/80/398777780.db2.gz	JUEITAUSZYEBLY-AWEZNQCLSA-N	0	3	322.206	2.508	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@H]2CCc3cc(C#N)ccc32)c1	ZINC000591764189	398785437	/nfs/dbraw/zinc/78/54/37/398785437.db2.gz	WDJFRUGUWKRTRM-XLIONFOSSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COc1ccccc1	ZINC000591763902	398785492	/nfs/dbraw/zinc/78/54/92/398785492.db2.gz	QIMCJQUMHWJFAA-LPHOPBHVSA-N	0	3	308.381	2.575	20	30		DFEDHN
N#CCCNC1CCN(Cc2ccc(Br)cc2)CC1	ZINC000591754759	398784071	/nfs/dbraw/zinc/78/40/71/398784071.db2.gz	VBJSVEUJGIPMBL-UHFFFAOYSA-N	0	3	322.250	2.917	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1C	ZINC000591771529	398786192	/nfs/dbraw/zinc/78/61/92/398786192.db2.gz	RXSINGINFZFANS-BBWFWOEESA-N	0	3	302.418	2.633	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000049203326	398792788	/nfs/dbraw/zinc/79/27/88/398792788.db2.gz	FUAOTQLUUOOXNY-HNNXBMFYSA-N	0	3	314.433	2.650	20	30		DFEDHN
CCN1C[C@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000591850149	398794575	/nfs/dbraw/zinc/79/45/75/398794575.db2.gz	OJBJTGYNOICYIK-VBQJREDUSA-N	0	3	314.433	2.601	20	30		DFEDHN
CC1(C)[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(F)F	ZINC000598336904	398794740	/nfs/dbraw/zinc/79/47/40/398794740.db2.gz	IJUQGIJEHXLAFO-KGLIPLIRSA-N	0	3	317.339	2.648	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OC)cc1	ZINC000594424924	398798050	/nfs/dbraw/zinc/79/80/50/398798050.db2.gz	DQRGYPFXQBAILD-HZPDHXFCSA-N	0	3	303.406	2.674	20	30		DFEDHN
COCCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1ccccc1	ZINC000594428122	398798584	/nfs/dbraw/zinc/79/85/84/398798584.db2.gz	JZHWOXPLUZLWOD-DOTOQJQBSA-N	0	3	317.433	2.634	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCSc2ccccc21	ZINC000594428347	398798591	/nfs/dbraw/zinc/79/85/91/398798591.db2.gz	YIEIOXCGXYBGBE-KBPBESRZSA-N	0	3	303.431	2.751	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594428589	398798643	/nfs/dbraw/zinc/79/86/43/398798643.db2.gz	ZNNWNTUQVIZTSK-OAHLLOKOSA-N	0	3	316.405	2.631	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1	ZINC000594427015	398798873	/nfs/dbraw/zinc/79/88/73/398798873.db2.gz	FWOKZWOJDUBGBX-HZPDHXFCSA-N	0	3	303.381	2.900	20	30		DFEDHN
C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594429871	398799374	/nfs/dbraw/zinc/79/93/74/398799374.db2.gz	XOVCRAPHRUFUBH-CABCVRRESA-N	0	3	314.433	2.517	20	30		DFEDHN
COc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594429548	398799515	/nfs/dbraw/zinc/79/95/15/398799515.db2.gz	RGXZRRSCWUTJTR-CJNGLKHVSA-N	0	3	303.406	2.626	20	30		DFEDHN
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594431292	398799625	/nfs/dbraw/zinc/79/96/25/398799625.db2.gz	LCTHRHPMFOMYBU-GFCCVEGCSA-N	0	3	322.796	2.648	20	30		DFEDHN
CC(C)OCc1cccc(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594430868	398799731	/nfs/dbraw/zinc/79/97/31/398799731.db2.gz	CCWFQDXMNAEKOR-MRXNPFEDSA-N	0	3	303.406	2.961	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(F)c1	ZINC000594429654	398799750	/nfs/dbraw/zinc/79/97/50/398799750.db2.gz	VDUIEEPBVMFCRT-LLVKDONJSA-N	0	3	315.295	2.777	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCOc2c(Cl)cccc21	ZINC000594431720	398800578	/nfs/dbraw/zinc/80/05/78/398800578.db2.gz	QEXZTADRGLWRMK-KBPBESRZSA-N	0	3	321.808	2.691	20	30		DFEDHN
CO[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1	ZINC000594432504	398800646	/nfs/dbraw/zinc/80/06/46/398800646.db2.gz	BTWRERZBZCPNJW-LSDHHAIUSA-N	0	3	323.824	2.555	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1F	ZINC000594433228	398800670	/nfs/dbraw/zinc/80/06/70/398800670.db2.gz	MJJAMQZAJBODFP-ZFWWWQNUSA-N	0	3	321.396	2.511	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1cccc(O)c1)CC1CC1	ZINC000594431856	398800710	/nfs/dbraw/zinc/80/07/10/398800710.db2.gz	REZJKDQRAFJRSF-QGZVFWFLSA-N	0	3	315.417	2.542	20	30		DFEDHN
COc1ccc(OC(C)C)c(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594435583	398801359	/nfs/dbraw/zinc/80/13/59/398801359.db2.gz	CYVDKYVRRVIAHC-AWEZNQCLSA-N	0	3	319.405	2.832	20	30		DFEDHN
CC(C)Oc1ccc(F)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594435561	398801557	/nfs/dbraw/zinc/80/15/57/398801557.db2.gz	CPXRQFCSJURXOL-CYBMUJFWSA-N	0	3	307.369	2.963	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccnc(C#N)c1	ZINC000290067704	283255564	/nfs/dbraw/zinc/25/55/64/283255564.db2.gz	JDNUOTNAZGJFMJ-UHFFFAOYSA-N	0	3	314.433	2.681	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)n1	ZINC000594436594	398802573	/nfs/dbraw/zinc/80/25/73/398802573.db2.gz	DJFLQGLVTMMOEL-UONOGXRCSA-N	0	3	320.462	2.569	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC(=O)[C@@H](N)CCCCC#N	ZINC000594439889	398802897	/nfs/dbraw/zinc/80/28/97/398802897.db2.gz	RVPDQCDKKHNAKZ-JKSUJKDBSA-N	0	3	315.417	2.600	20	30		DFEDHN
CN(Cc1nc2ccccc2s1)C(=O)[C@H](N)CCCCC#N	ZINC000594440848	398803045	/nfs/dbraw/zinc/80/30/45/398803045.db2.gz	IRZPYCGDNUEALZ-GFCCVEGCSA-N	0	3	316.430	2.666	20	30		DFEDHN
CC(C)(CCc1ccccc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000594440742	398803113	/nfs/dbraw/zinc/80/31/13/398803113.db2.gz	ZDVPYRRSMGCAJL-INIZCTEOSA-N	0	3	301.434	2.925	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1F	ZINC000594439836	398803464	/nfs/dbraw/zinc/80/34/64/398803464.db2.gz	REDOTQDRBPBGPB-OAHLLOKOSA-N	0	3	305.397	2.631	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C	ZINC000594445292	398804644	/nfs/dbraw/zinc/80/46/44/398804644.db2.gz	CSBLYUNXSOXCIU-ARFHVFGLSA-N	0	3	323.481	2.840	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1	ZINC000594446764	398804681	/nfs/dbraw/zinc/80/46/81/398804681.db2.gz	SBWGCOPVNKQIBT-INIZCTEOSA-N	0	3	321.371	2.867	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1	ZINC000594443343	398803682	/nfs/dbraw/zinc/80/36/82/398803682.db2.gz	OMEIJEOXDNEPDG-JTQLQIEISA-N	0	3	321.331	2.850	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1	ZINC000594443343	398803686	/nfs/dbraw/zinc/80/36/86/398803686.db2.gz	OMEIJEOXDNEPDG-JTQLQIEISA-N	0	3	321.331	2.850	20	30		DFEDHN
Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594445529	398804814	/nfs/dbraw/zinc/80/48/14/398804814.db2.gz	HADJMMQDZZKWLH-MRXNPFEDSA-N	0	3	314.433	2.945	20	30		DFEDHN
Cc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594457277	398806481	/nfs/dbraw/zinc/80/64/81/398806481.db2.gz	XWFPOZGJYOVXFW-NVXWUHKLSA-N	0	3	301.434	2.796	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@H](CO)CC(F)(F)F)cc1	ZINC000594505708	398812073	/nfs/dbraw/zinc/81/20/73/398812073.db2.gz	WMFQBCXLUBIAIT-ZDUSSCGKSA-N	0	3	300.324	2.891	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN[C@H](CCCO)c2ccccc2)cc1	ZINC000179761119	199077231	/nfs/dbraw/zinc/07/72/31/199077231.db2.gz	FIVCOYLFNBXTAA-MOPGFXCFSA-N	0	3	310.397	2.695	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@H]23)c1	ZINC000594597990	398827872	/nfs/dbraw/zinc/82/78/72/398827872.db2.gz	FSTJVAYALLDFJP-DZGCQCFKSA-N	0	3	300.362	2.895	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000288187078	291126575	/nfs/dbraw/zinc/12/65/75/291126575.db2.gz	BVQZYIAARMQTSR-AAEUAGOBSA-N	0	3	319.355	2.535	20	30		DFEDHN
CN(CC1=CCSC1)C(=O)C(C#N)CCc1ccccc1	ZINC000598515952	398827268	/nfs/dbraw/zinc/82/72/68/398827268.db2.gz	OEPYMGORUSPLFU-MRXNPFEDSA-N	0	3	300.427	2.891	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594604407	398830007	/nfs/dbraw/zinc/83/00/07/398830007.db2.gz	YZKSGGMZIWNPFO-HZPDHXFCSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN2CCCC[C@H]12	ZINC000594604409	398830069	/nfs/dbraw/zinc/83/00/69/398830069.db2.gz	YZKSGGMZIWNPFO-JKSUJKDBSA-N	0	3	300.362	2.895	20	30		DFEDHN
COc1ccc(CN(C[C@@H](O)CC(C)(C)C#N)C2CC2)cc1	ZINC000598583875	398836185	/nfs/dbraw/zinc/83/61/85/398836185.db2.gz	GFJUBTGLBVEZEA-INIZCTEOSA-N	0	3	302.418	2.960	20	30		DFEDHN
COc1ccc2c(c1)CCCN(C[C@H](O)CC(C)(C)C#N)C2	ZINC000598589330	398837197	/nfs/dbraw/zinc/83/71/97/398837197.db2.gz	IDAXNOCAHSJYQU-MRXNPFEDSA-N	0	3	302.418	2.744	20	30		DFEDHN
CN(c1ccccc1)C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598595070	398838059	/nfs/dbraw/zinc/83/80/59/398838059.db2.gz	MWHXXKZNRVVQHY-SFHVURJKSA-N	0	3	315.461	2.888	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](CN1CCCC1)c1ccccc1	ZINC000598603566	398839640	/nfs/dbraw/zinc/83/96/40/398839640.db2.gz	WAVWZYZXSMVYHA-MSOLQXFVSA-N	0	3	315.461	2.714	20	30		DFEDHN
CC[C@H]1CN(c2ccccc2)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598604353	398839881	/nfs/dbraw/zinc/83/98/81/398839881.db2.gz	LMFQHHLYLZGQKG-FUHWJXTLSA-N	0	3	315.461	2.888	20	30		DFEDHN
CC(=O)Nc1cccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598603740	398839996	/nfs/dbraw/zinc/83/99/96/398839996.db2.gz	ZROLKMDJTKEPLP-WBMJQRKESA-N	0	3	303.406	2.596	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](CN1CCCC1)c1ccccc1	ZINC000598603567	398840062	/nfs/dbraw/zinc/84/00/62/398840062.db2.gz	WAVWZYZXSMVYHA-QZTJIDSGSA-N	0	3	315.461	2.714	20	30		DFEDHN
CC[C@@](C)(N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594655748	398838497	/nfs/dbraw/zinc/83/84/97/398838497.db2.gz	BSNMWCKDJREACX-CYBMUJFWSA-N	0	3	309.295	2.742	20	30		DFEDHN
Cc1nnc(NC[C@H](c2ccc(F)cc2)N(C)C)c(C#N)c1C	ZINC000052486111	398841911	/nfs/dbraw/zinc/84/19/11/398841911.db2.gz	SUBLCTRNYWANDR-MRXNPFEDSA-N	0	3	313.380	2.819	20	30		DFEDHN
COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598617461	398842124	/nfs/dbraw/zinc/84/21/24/398842124.db2.gz	RRUKXGNEXILATB-CABCVRRESA-N	0	3	310.825	2.918	20	30		DFEDHN
C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@@H]1OCCc2sccc21	ZINC000598618270	398842201	/nfs/dbraw/zinc/84/22/01/398842201.db2.gz	NSHDZVQLVXJYIT-ZOWXZIJZSA-N	0	3	308.447	2.641	20	30		DFEDHN
C=CCCSCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000594714364	398847631	/nfs/dbraw/zinc/84/76/31/398847631.db2.gz	YCWMIPHQOCJPDS-CQSZACIVSA-N	0	3	312.866	2.635	20	30		DFEDHN
COc1cccc(C2(NC[C@H](O)CC(C)(C)C#N)CCC2)c1	ZINC000598628017	398843511	/nfs/dbraw/zinc/84/35/11/398843511.db2.gz	KBULSRBHASQHOB-OAHLLOKOSA-N	0	3	302.418	2.965	20	30		DFEDHN
CN(CCCC(=O)OC(C)(C)C)CCOc1cccc(C#N)c1	ZINC000076416195	398856081	/nfs/dbraw/zinc/85/60/81/398856081.db2.gz	XRVFOPPERPPAFZ-UHFFFAOYSA-N	0	3	318.417	2.991	20	30		DFEDHN
CCOc1ccc2c(c1)[C@@H](NC[C@H](O)CC(C)(C)C#N)CCO2	ZINC000598724408	398862348	/nfs/dbraw/zinc/86/23/48/398862348.db2.gz	OSHQMGNNEXYIAA-CJNGLKHVSA-N	0	3	318.417	2.799	20	30		DFEDHN
CCCCCn1cc(CNC[C@H](O)CC(C)(C)C#N)c(C)n1	ZINC000598725782	398862509	/nfs/dbraw/zinc/86/25/09/398862509.db2.gz	PGZGYTIORUEMDF-MRXNPFEDSA-N	0	3	306.454	2.772	20	30		DFEDHN
CO[C@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccccc1Cl	ZINC000598726043	398862988	/nfs/dbraw/zinc/86/29/88/398862988.db2.gz	QOGZEBPGSCYJIQ-SWLSCSKDSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000598730464	398863731	/nfs/dbraw/zinc/86/37/31/398863731.db2.gz	VZVVBFGUWOVMRS-HZPDHXFCSA-N	0	3	324.428	2.750	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](NCc1ccc(C3(C#N)CC3)cc1)CC2	ZINC000594921015	398871597	/nfs/dbraw/zinc/87/15/97/398871597.db2.gz	OWURFQAYSKVTSG-MRXNPFEDSA-N	0	3	321.428	2.500	20	30		DFEDHN
COCC[C@@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOC1	ZINC000594939878	398876948	/nfs/dbraw/zinc/87/69/48/398876948.db2.gz	UKIXSRLNEJGGJG-GOSISDBHSA-N	0	3	300.402	2.527	20	30		DFEDHN
C=CCCSCCNCc1ccccc1N1CCOCC1	ZINC000594960172	398881854	/nfs/dbraw/zinc/88/18/54/398881854.db2.gz	MAWUWQVLFMGXEV-UHFFFAOYSA-N	0	3	306.475	2.922	20	30		DFEDHN
COc1ccc(CN[C@@H](C)C2(CO)CC2)cc1OCCCC#N	ZINC000594967013	398883440	/nfs/dbraw/zinc/88/34/40/398883440.db2.gz	VAPMNZPBMBFFTB-AWEZNQCLSA-N	0	3	318.417	2.628	20	30		DFEDHN
CCn1nccc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(C)c1	ZINC000594991782	398887970	/nfs/dbraw/zinc/88/79/70/398887970.db2.gz	PTDGHPZPZCZZQL-SJLPKXTDSA-N	0	3	310.401	2.703	20	30		DFEDHN
CO[C@@H](CNCc1cnc2ccc(C#N)cn12)C1CCCCC1	ZINC000594998341	398888654	/nfs/dbraw/zinc/88/86/54/398888654.db2.gz	WTJJQGBFIKAODC-KRWDZBQOSA-N	0	3	312.417	2.891	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNC3CC(CO)C3)c2)c1	ZINC000595000611	398889300	/nfs/dbraw/zinc/88/93/00/398889300.db2.gz	IEPUEYNRIOFMLY-UHFFFAOYSA-N	0	3	322.408	2.998	20	30		DFEDHN
Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000598947778	398895350	/nfs/dbraw/zinc/89/53/50/398895350.db2.gz	MORMDHHNYSITNV-WBVHZDCISA-N	0	3	322.412	2.686	20	30		DFEDHN
CCn1cc(CNC2CCC(C#N)(c3ccccc3)CC2)nn1	ZINC000595067728	398901399	/nfs/dbraw/zinc/90/13/99/398901399.db2.gz	HNSPZRASINXEGI-UHFFFAOYSA-N	0	3	309.417	2.792	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@](C)(C#N)C2)cc1	ZINC000595266513	398914794	/nfs/dbraw/zinc/91/47/94/398914794.db2.gz	ADRPSNVCCLEKTA-FUHWJXTLSA-N	0	3	314.433	2.755	20	30		DFEDHN
CC1(C)C[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)CO1	ZINC000595305206	398920096	/nfs/dbraw/zinc/92/00/96/398920096.db2.gz	YKWQEIXWJVNESS-OAHLLOKOSA-N	0	3	300.402	2.969	20	30		DFEDHN
N#Cc1ccc(CCN2CCC(c3nnc4n3CCC4)CC2)cc1	ZINC000595308541	398920489	/nfs/dbraw/zinc/92/04/89/398920489.db2.gz	JWWZPXNOTPBIAC-UHFFFAOYSA-N	0	3	321.428	2.518	20	30		DFEDHN
C[C@@H](CC(=O)NCCc1ccccc1)NCc1cccc(C#N)c1	ZINC000151397080	398926276	/nfs/dbraw/zinc/92/62/76/398926276.db2.gz	FRMUCVOSHPIKSS-INIZCTEOSA-N	0	3	321.424	2.785	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)cc1	ZINC000189007378	200335318	/nfs/dbraw/zinc/33/53/18/200335318.db2.gz	BKULTVGCKUGIAM-OLZOCXBDSA-N	0	3	310.825	2.945	20	30		DFEDHN
CC[C@@](C)(CO)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000152175898	398929541	/nfs/dbraw/zinc/92/95/41/398929541.db2.gz	CSWRYONQYMAMAL-KRWDZBQOSA-N	0	3	306.406	2.628	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCCCOC	ZINC000077901169	398929982	/nfs/dbraw/zinc/92/99/82/398929982.db2.gz	HIDDRKKNJMZDPS-UHFFFAOYSA-N	0	3	324.494	2.621	20	30		DFEDHN
N#Cc1ccc(CCN2CCC(OC[C@@H]3CCOC3)CC2)cc1	ZINC000595400822	398932820	/nfs/dbraw/zinc/93/28/20/398932820.db2.gz	NVHCOZKQXNUUSY-GOSISDBHSA-N	0	3	314.429	2.618	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1Cl	ZINC000152908667	398934040	/nfs/dbraw/zinc/93/40/40/398934040.db2.gz	GSHDAORIAHDJFP-CQSZACIVSA-N	0	3	308.809	2.615	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](c2ccc(F)c(C)c2)C2CC2)C1=O	ZINC000281936348	334991541	/nfs/dbraw/zinc/99/15/41/334991541.db2.gz	INCJQDUPVRBRDA-SJORKVTESA-N	0	3	302.393	2.962	20	30		DFEDHN
C=CCCSCCNC(=O)NCC(C)(C)N1CCCCC1	ZINC000595428626	398936531	/nfs/dbraw/zinc/93/65/31/398936531.db2.gz	ZKEQQRCWSLHUAH-UHFFFAOYSA-N	0	3	313.511	2.859	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@H]2c2cccs2)CCOCC1	ZINC000599253250	398943077	/nfs/dbraw/zinc/94/30/77/398943077.db2.gz	GELJKVVAZCMXGH-CABCVRRESA-N	0	3	320.458	2.956	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000595463840	398943619	/nfs/dbraw/zinc/94/36/19/398943619.db2.gz	AROBPUNNULZSGZ-HUUCEWRRSA-N	0	3	312.335	2.736	20	30		DFEDHN
Cc1ccc(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1C#N	ZINC000599267383	398944710	/nfs/dbraw/zinc/94/47/10/398944710.db2.gz	WBZJCWCZWBYYLQ-UHFFFAOYSA-N	0	3	313.445	2.946	20	30		DFEDHN
Cc1ccc(CN(C[C@H](O)CC2(C#N)CCOCC2)C2CC2)o1	ZINC000599265112	398944735	/nfs/dbraw/zinc/94/47/35/398944735.db2.gz	RHZHVZZHUDXHES-MRXNPFEDSA-N	0	3	318.417	2.624	20	30		DFEDHN
CCCCNC(=O)c1ccc(CNCc2cc(C#N)n(C)c2)cc1	ZINC000190764201	200583354	/nfs/dbraw/zinc/58/33/54/200583354.db2.gz	SEMNASVFFCPSCB-UHFFFAOYSA-N	0	3	324.428	2.716	20	30		DFEDHN
COCCN(Cc1ccc(C)cc1C)C[C@@H](O)CC1(C#N)CC1	ZINC000599274125	398946371	/nfs/dbraw/zinc/94/63/71/398946371.db2.gz	LZCDLZVWJMZLCG-SFHVURJKSA-N	0	3	316.445	2.807	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NCC[C@@H]1Sc2ccccc2NC1=O	ZINC000595481940	398947740	/nfs/dbraw/zinc/94/77/40/398947740.db2.gz	LJLYIHJVGHVJCQ-ZOWXZIJZSA-N	0	3	301.415	2.771	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599300481	398950837	/nfs/dbraw/zinc/95/08/37/398950837.db2.gz	ZVMGTUIDEXBCNM-MAUKXSAKSA-N	0	3	314.429	2.505	20	30		DFEDHN
Cc1ccc(CN2CCCC[C@H]2CN2CCOCC2)cc1C#N	ZINC000599302484	398951811	/nfs/dbraw/zinc/95/18/11/398951811.db2.gz	DESNDCALUHDWNF-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1c1ccccc1	ZINC000599319201	398953628	/nfs/dbraw/zinc/95/36/28/398953628.db2.gz	XKYDJKIPPRQECW-NXHRZFHOSA-N	0	3	314.429	2.751	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F	ZINC000599345086	398957742	/nfs/dbraw/zinc/95/77/42/398957742.db2.gz	LTKFBQUGHCPAJO-OCCSQVGLSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1F	ZINC000599353265	398958493	/nfs/dbraw/zinc/95/84/93/398958493.db2.gz	HEXJJJQZKDBGRS-STQMWFEESA-N	0	3	324.371	2.687	20	30		DFEDHN
CC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1nc(C)cs1	ZINC000599359231	398961350	/nfs/dbraw/zinc/96/13/50/398961350.db2.gz	LXUGGGSMKYYQGV-KGLIPLIRSA-N	0	3	323.462	2.564	20	30		DFEDHN
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc(C#N)c1	ZINC000595541115	398961844	/nfs/dbraw/zinc/96/18/44/398961844.db2.gz	SGXVTJVDZDGGEK-CJNGLKHVSA-N	0	3	314.433	2.791	20	30		DFEDHN
C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1cccc(C#N)c1	ZINC000595541117	398962088	/nfs/dbraw/zinc/96/20/88/398962088.db2.gz	SGXVTJVDZDGGEK-XJKSGUPXSA-N	0	3	314.433	2.791	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(OC)ns1)C(C)C	ZINC000621534657	398965334	/nfs/dbraw/zinc/96/53/34/398965334.db2.gz	JCHUODYLWKNKAC-CYBMUJFWSA-N	0	3	323.462	2.580	20	30		DFEDHN
Cc1cnc(OC2CCN(CCc3ccc(C#N)cc3)CC2)nc1	ZINC000595561005	398971882	/nfs/dbraw/zinc/97/18/82/398971882.db2.gz	KPUVKOFAERRPFG-UHFFFAOYSA-N	0	3	322.412	2.743	20	30		DFEDHN
CCC(CC)(CC(=O)OC)NCc1ccc(C#N)c(OC)c1	ZINC000281453777	216309941	/nfs/dbraw/zinc/30/99/41/216309941.db2.gz	ALXICYWOASRUTI-UHFFFAOYSA-N	0	3	304.390	2.778	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(C#N)c1	ZINC000271873229	209286838	/nfs/dbraw/zinc/28/68/38/209286838.db2.gz	NHJAVAQDXLQTIR-KYNGSXCRSA-N	0	3	310.397	2.693	20	30		DFEDHN
C#CCN(CC)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000056610710	398981446	/nfs/dbraw/zinc/98/14/46/398981446.db2.gz	OJIAVSFHGYAUFH-UHFFFAOYSA-N	0	3	313.445	2.624	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)CC2(C#N)CC2)CCc2ccc(F)cc21	ZINC000599453543	398986477	/nfs/dbraw/zinc/98/64/77/398986477.db2.gz	UOGRSOOBBFPZNS-CJNGLKHVSA-N	0	3	302.393	2.842	20	30		DFEDHN
C[C@@]1(c2cccc(F)c2)CCN(C[C@@H](O)CC2(C#N)CC2)C1	ZINC000599452535	398986566	/nfs/dbraw/zinc/98/65/66/398986566.db2.gz	RSICQJINOXXBJJ-DLBZAZTESA-N	0	3	302.393	2.844	20	30		DFEDHN
C[C@]1(c2cccc(F)c2)CCN(C[C@@H](O)CC2(C#N)CC2)C1	ZINC000599452537	398986576	/nfs/dbraw/zinc/98/65/76/398986576.db2.gz	RSICQJINOXXBJJ-IRXDYDNUSA-N	0	3	302.393	2.844	20	30		DFEDHN
C#CCN(CCC(=O)Nc1cc(C)on1)[C@@H]1CCc2ccccc21	ZINC000164907412	398990877	/nfs/dbraw/zinc/99/08/77/398990877.db2.gz	XEUDFYKLOPCBDS-QGZVFWFLSA-N	0	3	323.396	2.934	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000595604514	398994314	/nfs/dbraw/zinc/99/43/14/398994314.db2.gz	SBSWOTNIFMIWHY-WFASDCNBSA-N	0	3	317.389	2.918	20	30		DFEDHN
CCC(F)(F)C(C)(C)CNCc1cnc2c(C#N)cnn2c1	ZINC000600200817	399001976	/nfs/dbraw/zinc/00/19/76/399001976.db2.gz	GDMNTJHYDNOFOB-UHFFFAOYSA-N	0	3	307.348	2.762	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@H](C#N)C1	ZINC000600205185	399003769	/nfs/dbraw/zinc/00/37/69/399003769.db2.gz	UNLIERKUMBUOGR-KLZNWCGWSA-N	0	3	302.422	2.966	20	30		DFEDHN
CC(C)[C@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000599549119	399011034	/nfs/dbraw/zinc/01/10/34/399011034.db2.gz	NQDDQUHKCGYEQJ-LJQANCHMSA-N	0	3	315.461	2.759	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3cccc(F)n3)CC2)cc1	ZINC000057136742	399016200	/nfs/dbraw/zinc/01/62/00/399016200.db2.gz	YDYQNOSZWDHQOW-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000271802576	209228303	/nfs/dbraw/zinc/22/83/03/209228303.db2.gz	KJRMUKCSOLLFOZ-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271798405	209224547	/nfs/dbraw/zinc/22/45/47/209224547.db2.gz	LXJYFUNPIHRXFF-BBRMVZONSA-N	0	3	304.390	2.621	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000595661078	399025031	/nfs/dbraw/zinc/02/50/31/399025031.db2.gz	HXFRWCCOTYNAGC-INIZCTEOSA-N	0	3	314.433	2.572	20	30		DFEDHN
Cc1csc(C(C#N)=C([O-])c2cnc3n2CCCCC3)n1	ZINC000621705821	399034420	/nfs/dbraw/zinc/03/44/20/399034420.db2.gz	ZAMZMSVYXBHMRA-LLVKDONJSA-N	0	3	300.387	2.865	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2cnc3n2CCCCC3)n1	ZINC000621705821	399034423	/nfs/dbraw/zinc/03/44/23/399034423.db2.gz	ZAMZMSVYXBHMRA-LLVKDONJSA-N	0	3	300.387	2.865	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1	ZINC000599630037	399034594	/nfs/dbraw/zinc/03/45/94/399034594.db2.gz	LFLGPBQGBGTBGO-AEFFLSMTSA-N	0	3	309.369	2.587	20	30		DFEDHN
C#CCCOc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1	ZINC000091856244	193118279	/nfs/dbraw/zinc/11/82/79/193118279.db2.gz	ATCDZXDDVKXYAJ-ROUUACIJSA-N	0	3	317.454	2.795	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NCCCOc1ccc2c(c1)OCO2	ZINC000595693088	399037430	/nfs/dbraw/zinc/03/74/30/399037430.db2.gz	RVZLPRIZGJFNLT-DZGCQCFKSA-N	0	3	302.374	2.856	20	30		DFEDHN
CS[C@@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1	ZINC000092064075	193150722	/nfs/dbraw/zinc/15/07/22/193150722.db2.gz	PGCDKSARGLNQPP-OAHLLOKOSA-N	0	3	300.431	2.923	20	30		DFEDHN
C=CCOc1ccc(CNCC2([S@](C)=O)CC2)cc1Cl	ZINC000282506578	334994750	/nfs/dbraw/zinc/99/47/50/334994750.db2.gz	XCKRVNAIFBPTGG-FQEVSTJZSA-N	0	3	313.850	2.906	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000595723065	399053803	/nfs/dbraw/zinc/05/38/03/399053803.db2.gz	QCZNHRJNKSEZSK-INIZCTEOSA-N	0	3	321.490	2.898	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1	ZINC000171442112	399051712	/nfs/dbraw/zinc/05/17/12/399051712.db2.gz	COWRVVTUWNNKMX-INIZCTEOSA-N	0	3	300.402	2.562	20	30		DFEDHN
CO[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000275282712	212246976	/nfs/dbraw/zinc/24/69/76/212246976.db2.gz	WKSADZFYZGEYKI-CABCVRRESA-N	0	3	321.808	2.697	20	30		DFEDHN
Cc1cc(C2(NCCc3ccc(C#N)cc3)CCOCC2)on1	ZINC000599677408	399058252	/nfs/dbraw/zinc/05/82/52/399058252.db2.gz	ZBSAJBYSQWQJFC-UHFFFAOYSA-N	0	3	311.385	2.693	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000595744928	399067231	/nfs/dbraw/zinc/06/72/31/399067231.db2.gz	WCBODNNUDRHPPG-WBVHZDCISA-N	0	3	311.429	2.588	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](C)N(CCOc2ccccc2C#N)[C@@H](C)C1	ZINC000599704454	399071306	/nfs/dbraw/zinc/07/13/06/399071306.db2.gz	FAUNXMDOXLGQAX-MIFYACCESA-N	0	3	316.401	2.599	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](SC)C2)CC1	ZINC000172336200	399074997	/nfs/dbraw/zinc/07/49/97/399074997.db2.gz	KRAJJMMDZGLHKQ-LSDHHAIUSA-N	0	3	311.495	2.610	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cccc(F)c2C#N)cn1	ZINC000595767221	399076075	/nfs/dbraw/zinc/07/60/75/399076075.db2.gz	ANOXLDGYRUETGD-KSSFIOAISA-N	0	3	312.392	2.932	20	30		DFEDHN
C=CCC1(NCC(=O)Nc2cccc(C(=O)OC)c2)CCCC1	ZINC000595779576	399081876	/nfs/dbraw/zinc/08/18/76/399081876.db2.gz	AFOVHYNVWWVHKV-UHFFFAOYSA-N	0	3	316.401	2.890	20	30		DFEDHN
CC[C@@H](NCCCSCC#N)c1nnc2n1CCCCC2	ZINC000595799067	399090336	/nfs/dbraw/zinc/09/03/36/399090336.db2.gz	CEEZOXCWXPRXHM-CYBMUJFWSA-N	0	3	307.467	2.692	20	30		DFEDHN
C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)CC1	ZINC000595820691	399097938	/nfs/dbraw/zinc/09/79/38/399097938.db2.gz	UYYGCYOOKIQKSX-SNBTVBLJSA-N	0	3	303.381	2.591	20	30		DFEDHN
CC(C)CC1(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000595831442	399103584	/nfs/dbraw/zinc/10/35/84/399103584.db2.gz	OAQMTINTOMIDIZ-UHFFFAOYSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC000595840709	399108148	/nfs/dbraw/zinc/10/81/48/399108148.db2.gz	CZKZAVXFPPNKEI-CWRNSKLLSA-N	0	3	313.401	2.906	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(-c3cccnc3)cc2)CC1	ZINC000600725537	399125345	/nfs/dbraw/zinc/12/53/45/399125345.db2.gz	CIKGCMDIOARETF-SFHVURJKSA-N	0	3	307.397	2.893	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@H]1NC[C@@H](O)COc1ccccc1C#N	ZINC000600725477	399125380	/nfs/dbraw/zinc/12/53/80/399125380.db2.gz	PZJNRDSLQLBMJU-MISYRCLQSA-N	0	3	322.408	2.618	20	30		DFEDHN
COc1ccccc1[C@@H]1CNCCN1CCc1ccc(C#N)cc1	ZINC000595895394	399126280	/nfs/dbraw/zinc/12/62/80/399126280.db2.gz	LHZOVGAGJPDEKF-IBGZPJMESA-N	0	3	321.424	2.756	20	30		DFEDHN
N#CCC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1	ZINC000178799621	399127028	/nfs/dbraw/zinc/12/70/28/399127028.db2.gz	COEFCYPBOZSSSS-SJORKVTESA-N	0	3	312.417	2.521	20	30		DFEDHN
CCOc1ccc2c(c1)[C@@H](NC[C@@H](O)CC1(C#N)CC1)CCO2	ZINC000600735684	399129979	/nfs/dbraw/zinc/12/99/79/399129979.db2.gz	PCXBUFYLFBZGCC-BBRMVZONSA-N	0	3	316.401	2.553	20	30		DFEDHN
Cc1cc(CNC[C@@H](O)CC2(C#N)CCOCC2)ccc1Cl	ZINC000600735572	399130158	/nfs/dbraw/zinc/13/01/58/399130158.db2.gz	NVTKFQSHPATOLY-HNNXBMFYSA-N	0	3	322.836	2.809	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CNCC2(CO)CC2)c1	ZINC000080247120	399131487	/nfs/dbraw/zinc/13/14/87/399131487.db2.gz	JOZDDTRYAWFLMH-UHFFFAOYSA-N	0	3	322.408	2.999	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC(=O)NCC(C)C)c1ccccc1	ZINC000180043195	399131762	/nfs/dbraw/zinc/13/17/62/399131762.db2.gz	SCLCYOLGKBLBAR-MRXNPFEDSA-N	0	3	317.433	2.765	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC(=O)NCCC)c1ccccc1	ZINC000180036821	399132428	/nfs/dbraw/zinc/13/24/28/399132428.db2.gz	VHTMFVFEMFTNFR-OAHLLOKOSA-N	0	3	303.406	2.519	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180273490	399132812	/nfs/dbraw/zinc/13/28/12/399132812.db2.gz	ZQGMRMTUMRSSBH-UHFFFAOYSA-N	0	3	313.445	2.902	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000600744425	399133833	/nfs/dbraw/zinc/13/38/33/399133833.db2.gz	MVJBBNIJFWCGRU-HOTGVXAUSA-N	0	3	322.412	2.504	20	30		DFEDHN
CCOC(=O)C1CCC(O)(CNCC2(C#N)CCCCC2)CC1	ZINC000600757364	399135893	/nfs/dbraw/zinc/13/58/93/399135893.db2.gz	VEOCHZAZAYPOOL-UHFFFAOYSA-N	0	3	322.449	2.534	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C	ZINC000181066873	399138538	/nfs/dbraw/zinc/13/85/38/399138538.db2.gz	SXPJOMNITJXQAR-HNNXBMFYSA-N	0	3	321.396	2.514	20	30		DFEDHN
C[C@@H](c1ccc(-c2ccc([O-])c(C#N)c2)cc1)N1CC[NH2+]CC1	ZINC000600779290	399143034	/nfs/dbraw/zinc/14/30/34/399143034.db2.gz	AHWNQLCTIINPCJ-AWEZNQCLSA-N	0	3	307.397	2.897	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C#N)c1ccccc1	ZINC000182350907	399144064	/nfs/dbraw/zinc/14/40/64/399144064.db2.gz	MMPRUWHLRZDDNH-GOEBONIOSA-N	0	3	302.422	2.528	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc2c(c1)CCCO2	ZINC000595992110	399145184	/nfs/dbraw/zinc/14/51/84/399145184.db2.gz	OAJBAGDASDCDOJ-XJKSGUPXSA-N	0	3	315.417	2.600	20	30		DFEDHN
CCN1CCCC[C@@H]1C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600785196	399145352	/nfs/dbraw/zinc/14/53/52/399145352.db2.gz	NZWNYMBNMJFFSI-GOSISDBHSA-N	0	3	311.429	2.512	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1cccc(Cl)c1	ZINC000182598006	399145707	/nfs/dbraw/zinc/14/57/07/399145707.db2.gz	YBMMACOHPHSZLC-BXUZGUMPSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H]2CCc3ccccc3C2)CC1	ZINC000264798500	204165525	/nfs/dbraw/zinc/16/55/25/204165525.db2.gz	BUKATEQJHWWTSP-MRXNPFEDSA-N	0	3	312.457	2.948	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C#N	ZINC000265010548	204342716	/nfs/dbraw/zinc/34/27/16/204342716.db2.gz	WUACVGMQRPADDF-CYBMUJFWSA-N	0	3	303.366	2.538	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNC[C@@H](O)C3CC3)c2)c1	ZINC000265110557	204404576	/nfs/dbraw/zinc/40/45/76/204404576.db2.gz	WSYJNUQDFZFYMX-HXUWFJFHSA-N	0	3	322.408	2.998	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CCN(C2CCCC2)CC1	ZINC000596074078	399163291	/nfs/dbraw/zinc/16/32/91/399163291.db2.gz	YBLZZCWAQRWJTJ-UHFFFAOYSA-N	0	3	307.401	2.566	20	30		DFEDHN
C=CCOCCN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000618573868	399165219	/nfs/dbraw/zinc/16/52/19/399165219.db2.gz	HSFSRBNKXBRKNI-CYBMUJFWSA-N	0	3	307.390	2.934	20	30		DFEDHN
COCCCN(CCOC)Cc1ccc(C(C)(C)C#N)cc1	ZINC000614160645	399165800	/nfs/dbraw/zinc/16/58/00/399165800.db2.gz	RRFYOYNJBPVVMX-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1	ZINC000288232511	220032206	/nfs/dbraw/zinc/03/22/06/220032206.db2.gz	NNXJDCHOYHDQRI-RHSMWYFYSA-N	0	3	307.401	2.732	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1	ZINC000614166315	399167977	/nfs/dbraw/zinc/16/79/77/399167977.db2.gz	AZONOIUVZCJVNK-HNNXBMFYSA-N	0	3	313.445	2.965	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H]2Cn2cncn2)cc1	ZINC000614166697	399168171	/nfs/dbraw/zinc/16/81/71/399168171.db2.gz	RSYODGMUMANWIJ-QGZVFWFLSA-N	0	3	309.417	2.744	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(C)no1	ZINC000284925897	335015484	/nfs/dbraw/zinc/01/54/84/335015484.db2.gz	AGYZFBBPESPSNB-GDBMZVCRSA-N	0	3	311.385	2.534	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1cc(C)no1	ZINC000284925899	335015400	/nfs/dbraw/zinc/01/54/00/335015400.db2.gz	AGYZFBBPESPSNB-GOEBONIOSA-N	0	3	311.385	2.534	20	30		DFEDHN
N#CCSCCCN1CCC(NC(=O)c2cccs2)CC1	ZINC000080722870	399173695	/nfs/dbraw/zinc/17/36/95/399173695.db2.gz	WOLNWOKVEHLUBK-UHFFFAOYSA-N	0	3	323.487	2.589	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000596102445	399174238	/nfs/dbraw/zinc/17/42/38/399174238.db2.gz	SWNWMUNDEJINJP-MRXNPFEDSA-N	0	3	321.490	2.898	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000596143794	399189331	/nfs/dbraw/zinc/18/93/31/399189331.db2.gz	AGQZWVFOIAMHQO-IUODEOHRSA-N	0	3	315.446	2.848	20	30		DFEDHN
CN(CCCNC(=O)C1(C#N)CC2(CC2)C1)Cc1ccccc1	ZINC000600967222	399190787	/nfs/dbraw/zinc/19/07/87/399190787.db2.gz	ZVINNBOQSFOQKY-UHFFFAOYSA-N	0	3	311.429	2.709	20	30		DFEDHN
C=CCc1cc(CNC[C@](C)(O)c2ccco2)cc(OC)c1O	ZINC000266176839	205161470	/nfs/dbraw/zinc/16/14/70/205161470.db2.gz	TYGUQROSUXPAGW-SFHVURJKSA-N	0	3	317.385	2.720	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596152172	399192692	/nfs/dbraw/zinc/19/26/92/399192692.db2.gz	IPQWJOCBFBHCGC-PBHICJAKSA-N	0	3	309.417	2.757	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCC34CCC4)C2=O)cc1	ZINC000282864783	217286366	/nfs/dbraw/zinc/28/63/66/217286366.db2.gz	UWTXXUACGFWDGL-IAGOWNOFSA-N	0	3	309.413	2.581	20	30		DFEDHN
CN(C)CCN1CCC(Nc2c(Cl)cccc2C#N)CC1	ZINC000266353436	205288345	/nfs/dbraw/zinc/28/83/45/205288345.db2.gz	JVOCCHXPNVAOPA-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1	ZINC000601001843	399200187	/nfs/dbraw/zinc/20/01/87/399200187.db2.gz	RDSWJWKBTHURKB-UHFFFAOYSA-N	0	3	313.401	2.649	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N(CC=C)CC=C	ZINC000285057687	335019409	/nfs/dbraw/zinc/01/94/09/335019409.db2.gz	JFDMNIKHCRASOH-PKOBYXMFSA-N	0	3	310.441	2.800	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000614326864	399207094	/nfs/dbraw/zinc/20/70/94/399207094.db2.gz	UNDNDIDRYBEUJI-IAGOWNOFSA-N	0	3	302.418	2.771	20	30		DFEDHN
N#Cc1ccc(OC[C@]2(O)CCN(Cc3ccccc3)C2)cc1	ZINC000601068935	399217943	/nfs/dbraw/zinc/21/79/43/399217943.db2.gz	JONOEFPKDUQABQ-IBGZPJMESA-N	0	3	308.381	2.574	20	30		DFEDHN
C#CCOc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1	ZINC000285170739	335021855	/nfs/dbraw/zinc/02/18/55/335021855.db2.gz	UWZGLEABCLJNIG-RBUKOAKNSA-N	0	3	308.381	2.713	20	30		DFEDHN
C#CCCCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000192036279	335022610	/nfs/dbraw/zinc/02/26/10/335022610.db2.gz	LCYVNPXDYBPWPE-SFHVURJKSA-N	0	3	314.429	2.752	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@H]3CCc4cc(C#N)ccc43)cc12	ZINC000618743113	399226935	/nfs/dbraw/zinc/22/69/35/399226935.db2.gz	XAQNOSTULDOYKW-SFHVURJKSA-N	0	3	317.396	2.926	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000064723470	399230594	/nfs/dbraw/zinc/23/05/94/399230594.db2.gz	WMGVTEKFYKUJJJ-UHFFFAOYSA-N	0	3	308.385	2.670	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000267380506	206026184	/nfs/dbraw/zinc/02/61/84/206026184.db2.gz	LHDBZOSSUUSFJI-BBRMVZONSA-N	0	3	321.852	2.949	20	30		DFEDHN
COC[C@@H](NC1CCN(CC#N)CC1)c1ccc(Cl)cc1	ZINC000618795493	399238040	/nfs/dbraw/zinc/23/80/40/399238040.db2.gz	XZYBZZIVEVGMNL-MRXNPFEDSA-N	0	3	307.825	2.605	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2cc(C#N)cc(C)n2)c1	ZINC000601152314	399242598	/nfs/dbraw/zinc/24/25/98/399242598.db2.gz	NGZAMSRMOFJKPX-UHFFFAOYSA-N	0	3	324.428	2.839	20	30		DFEDHN
C[C@](CO)(Cc1ccc(F)cc1)NCc1cc(C#N)cs1	ZINC000601154062	399243296	/nfs/dbraw/zinc/24/32/96/399243296.db2.gz	XTJIUBFKAFMILM-MRXNPFEDSA-N	0	3	304.390	2.842	20	30		DFEDHN
C#CCN(C(=S)NC[C@@H]1CCCN1CC)C1CCCCC1	ZINC000065705049	399249514	/nfs/dbraw/zinc/24/95/14/399249514.db2.gz	LHOJEMHGUPZBBD-INIZCTEOSA-N	0	3	307.507	2.613	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)CN1Cc1ccccc1	ZINC000601308772	399274304	/nfs/dbraw/zinc/27/43/04/399274304.db2.gz	DEBWDHPNQHIPHU-NVXWUHKLSA-N	0	3	323.440	2.850	20	30		DFEDHN
Cc1cccnc1[C@@H]1CCC[C@@H](N2CCN(CCC#N)CC2)C1	ZINC000601316108	399276597	/nfs/dbraw/zinc/27/65/97/399276597.db2.gz	GXJQIWXBBRDZTG-QZTJIDSGSA-N	0	3	312.461	2.948	20	30		DFEDHN
Cc1cccnc1[C@H]1CCC[C@@H](N2CCN(CCC#N)CC2)C1	ZINC000601316112	399276650	/nfs/dbraw/zinc/27/66/50/399276650.db2.gz	GXJQIWXBBRDZTG-ZWKOTPCHSA-N	0	3	312.461	2.948	20	30		DFEDHN
N#CCSCC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000609017787	399303007	/nfs/dbraw/zinc/30/30/07/399303007.db2.gz	GUZJQGQTYBPPOQ-MRXNPFEDSA-N	0	3	317.458	2.587	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1sccc1C#N	ZINC000601621458	399309765	/nfs/dbraw/zinc/30/97/65/399309765.db2.gz	MBSJZIYGHSVIPB-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
Cc1cc(C)n(CCN2CCC(Nc3ccccc3C#N)CC2)n1	ZINC000609257481	399310460	/nfs/dbraw/zinc/31/04/60/399310460.db2.gz	UKWFANORXGZOPU-UHFFFAOYSA-N	0	3	323.444	2.948	20	30		DFEDHN
COc1cccc(CNC2CCN(CC#N)CC2)c1OC(C)C	ZINC000609334737	399314242	/nfs/dbraw/zinc/31/42/42/399314242.db2.gz	DUTHBXIINXMZNA-UHFFFAOYSA-N	0	3	317.433	2.560	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCCC1	ZINC000042822491	183313093	/nfs/dbraw/zinc/31/30/93/183313093.db2.gz	YSDZYFHXGWYYCA-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@@H](C)C1	ZINC000615231848	399315371	/nfs/dbraw/zinc/31/53/71/399315371.db2.gz	GXJYZDJWXVIFFG-ZBEGNZNMSA-N	0	3	305.809	2.558	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000609574080	399324125	/nfs/dbraw/zinc/32/41/25/399324125.db2.gz	MUVZLMYAFGTJMA-MFKMUULPSA-N	0	3	312.200	2.626	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(c3ccccc3)C2)cc1	ZINC000601700701	399323805	/nfs/dbraw/zinc/32/38/05/399323805.db2.gz	LXGBLMNKYBBTBM-GOSISDBHSA-N	0	3	315.376	2.867	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1	ZINC000619297699	399326390	/nfs/dbraw/zinc/32/63/90/399326390.db2.gz	DLKKATMETINEIP-KSSFIOAISA-N	0	3	318.380	2.555	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NCC2(N(C)C)CCC2)cc1	ZINC000287105961	335040458	/nfs/dbraw/zinc/04/04/58/335040458.db2.gz	LPVHBDJQHLTMOS-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000609920176	399336497	/nfs/dbraw/zinc/33/64/97/399336497.db2.gz	QSHZZHITIQQESE-UONOGXRCSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000609921493	399336508	/nfs/dbraw/zinc/33/65/08/399336508.db2.gz	BWTGKKRDHANJMQ-PWSUYJOCSA-N	0	3	311.307	2.560	20	30		DFEDHN
N#Cc1cc(N2CCN(c3ccncc3)CC2)nc2ccccc12	ZINC000609890530	399335560	/nfs/dbraw/zinc/33/55/60/399335560.db2.gz	CUJMSDBBPRSKTR-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1	ZINC000610011531	399338306	/nfs/dbraw/zinc/33/83/06/399338306.db2.gz	BXWSGBPSTFNFNX-SWLSCSKDSA-N	0	3	316.401	2.864	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1	ZINC000610011525	399338462	/nfs/dbraw/zinc/33/84/62/399338462.db2.gz	BXWSGBPSTFNFNX-DOMZBBRYSA-N	0	3	316.401	2.864	20	30		DFEDHN
N#CC1(CCCN2CCOc3ccccc3C2)CCOCC1	ZINC000619620125	399369048	/nfs/dbraw/zinc/36/90/48/399369048.db2.gz	WUTVDBXZLNQUHN-UHFFFAOYSA-N	0	3	300.402	2.982	20	30		DFEDHN
C[C@](O)(C[C@@H](O)CN[C@H](CCC#N)c1ccccc1)C1CC1	ZINC000601964194	399370035	/nfs/dbraw/zinc/37/00/35/399370035.db2.gz	HONYQCROJXEOHK-KURKYZTESA-N	0	3	302.418	2.533	20	30		DFEDHN
C[C@](O)(C[C@H](O)CN[C@H](CCC#N)c1ccccc1)C1CC1	ZINC000601964193	399370093	/nfs/dbraw/zinc/37/00/93/399370093.db2.gz	HONYQCROJXEOHK-KSZLIROESA-N	0	3	302.418	2.533	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610467037	399370330	/nfs/dbraw/zinc/37/03/30/399370330.db2.gz	CAFLWDUAMDCGHC-MRXNPFEDSA-N	0	3	324.428	2.721	20	30		DFEDHN
C=C[C@@H](C(=O)OC)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000619718653	399382285	/nfs/dbraw/zinc/38/22/85/399382285.db2.gz	TXKGRQYXDVORJL-JCYILVPMSA-N	0	3	308.466	2.546	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@H]1CCOC2(CCOCC2)C1	ZINC000602010571	399383014	/nfs/dbraw/zinc/38/30/14/399383014.db2.gz	GCIHRNFRORMHIF-AWEZNQCLSA-N	0	3	304.365	2.515	20	30		DFEDHN
C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1cccc(C#N)c1	ZINC000285139486	218306842	/nfs/dbraw/zinc/30/68/42/218306842.db2.gz	ONNCEIXRQHAWKF-CYBMUJFWSA-N	0	3	306.431	2.566	20	30		DFEDHN
COC(C)(C)CCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000615795547	399384138	/nfs/dbraw/zinc/38/41/38/399384138.db2.gz	NFQCYHJCVQHALB-QGZVFWFLSA-N	0	3	319.424	2.823	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1	ZINC000615807118	399385532	/nfs/dbraw/zinc/38/55/32/399385532.db2.gz	HQLONADWIIVVEG-BHYGNILZSA-N	0	3	311.429	2.574	20	30		DFEDHN
COc1cc(CNCCn2ccc(C(F)(F)F)n2)ccc1C#N	ZINC000602017619	399385317	/nfs/dbraw/zinc/38/53/17/399385317.db2.gz	PLJHALXKHKJBET-UHFFFAOYSA-N	0	3	324.306	2.572	20	30		DFEDHN
COc1cc(CN2CCC3(CCOCC3)CC2)ccc1C#N	ZINC000285273574	218361571	/nfs/dbraw/zinc/36/15/71/218361571.db2.gz	UNCGOODRGOFDML-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000287522562	335044376	/nfs/dbraw/zinc/04/43/76/335044376.db2.gz	VIPQMAFUYUETDI-RBUKOAKNSA-N	0	3	310.441	2.612	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H](CO)CC=C)cc1OC	ZINC000623491339	399401230	/nfs/dbraw/zinc/40/12/30/399401230.db2.gz	POMAGQFNRYRXFG-CYBMUJFWSA-N	0	3	311.809	2.940	20	30		DFEDHN
C=CCCCN1CCN(CCOc2cccc(OC)c2)CC1	ZINC000268899326	207070072	/nfs/dbraw/zinc/07/00/72/207070072.db2.gz	OIIWPJLLIIUTSH-UHFFFAOYSA-N	0	3	304.434	2.658	20	30		DFEDHN
Cc1ccnc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602164104	399403607	/nfs/dbraw/zinc/40/36/07/399403607.db2.gz	LGFOGXSCYGKBDR-GOEBONIOSA-N	0	3	308.385	2.735	20	30		DFEDHN
Cc1ccnc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602164103	399403659	/nfs/dbraw/zinc/40/36/59/399403659.db2.gz	LGFOGXSCYGKBDR-GDBMZVCRSA-N	0	3	308.385	2.735	20	30		DFEDHN
C[C@](CO)(NCCCOc1cccc(C#N)c1)c1ccccc1	ZINC000610786273	399405902	/nfs/dbraw/zinc/40/59/02/399405902.db2.gz	MXMLQMOYTBKJCU-LJQANCHMSA-N	0	3	310.397	2.824	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(CC)C1	ZINC000056752910	184018589	/nfs/dbraw/zinc/01/85/89/184018589.db2.gz	OBIINUASJLEPSV-AWEZNQCLSA-N	0	3	316.405	2.563	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1cnn(Cc2ccccc2)c1	ZINC000610813602	399409441	/nfs/dbraw/zinc/40/94/41/399409441.db2.gz	LXTYINCVZQDTMN-MRXNPFEDSA-N	0	3	323.444	2.570	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cnnn2)cc1	ZINC000610830379	399410403	/nfs/dbraw/zinc/41/04/03/399410403.db2.gz	OVALQDGAECMRQB-KGLIPLIRSA-N	0	3	318.384	2.946	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](CCC)OCC)CC1	ZINC000623579333	399421208	/nfs/dbraw/zinc/42/12/08/399421208.db2.gz	WUGZVRQFWOXSIS-MRXNPFEDSA-N	0	3	311.470	2.531	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000611035725	399430123	/nfs/dbraw/zinc/43/01/23/399430123.db2.gz	NWNAYQRGFREXQH-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
N#Cc1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)ccn1	ZINC000611109657	399434118	/nfs/dbraw/zinc/43/41/18/399434118.db2.gz	FUPCSZPBJVVZBT-LJQANCHMSA-N	0	3	307.397	2.726	20	30		DFEDHN
C[C@@H](C#N)CN(C)Cc1ccc(OCCN2CCCC2)cc1	ZINC000611260951	399453591	/nfs/dbraw/zinc/45/35/91/399453591.db2.gz	IWOFXAVXDYYPNN-INIZCTEOSA-N	0	3	301.434	2.753	20	30		DFEDHN
Cc1nc(CN2CCCN(C[C@H](C)CCC#N)CC2)oc1C	ZINC000602465690	399451351	/nfs/dbraw/zinc/45/13/51/399451351.db2.gz	KAKLQMVJWTWHHR-CQSZACIVSA-N	0	3	304.438	2.739	20	30		DFEDHN
N#Cc1ccc(OC2CCC(NCc3nccs3)CC2)nc1	ZINC000611257844	399452583	/nfs/dbraw/zinc/45/25/83/399452583.db2.gz	LNXZNWHNURDBKN-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
N#Cc1ccc(CN(Cc2c[nH]c3ncncc23)C2CC2)cc1	ZINC000602440188	399445433	/nfs/dbraw/zinc/44/54/33/399445433.db2.gz	JXMXLCQQWNCHAT-UHFFFAOYSA-N	0	3	303.369	2.946	20	30		DFEDHN
C[C@H](CCC#N)CNc1ccccc1CN1CCC(O)CC1	ZINC000602488172	399460072	/nfs/dbraw/zinc/46/00/72/399460072.db2.gz	RIDNQJZSJUMIED-OAHLLOKOSA-N	0	3	301.434	2.995	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)OCCO2	ZINC000602501333	399462073	/nfs/dbraw/zinc/46/20/73/399462073.db2.gz	AEUXIIATYWAESJ-AWEZNQCLSA-N	0	3	316.401	2.646	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2C[C@@H](C)N(C)C[C@@H]2C)c1C#N	ZINC000611349386	399464706	/nfs/dbraw/zinc/46/47/06/399464706.db2.gz	HGJPXJYYNPIYFI-CABCVRRESA-N	0	3	323.444	2.577	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccccc1F	ZINC000602513162	399464794	/nfs/dbraw/zinc/46/47/94/399464794.db2.gz	ZVNGPWHNYAZNCA-AWEZNQCLSA-N	0	3	306.381	2.893	20	30		DFEDHN
CS[C@H]1CN(c2cc(C#N)nc3ccccc32)C[C@@H]1N(C)C	ZINC000611370814	399466779	/nfs/dbraw/zinc/46/67/79/399466779.db2.gz	FTFLHRPBQGCQRF-IRXDYDNUSA-N	0	3	312.442	2.588	20	30		DFEDHN
COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)c(OC)c1	ZINC000602518760	399466501	/nfs/dbraw/zinc/46/65/01/399466501.db2.gz	RMEBZIYNGZBYDV-AWEZNQCLSA-N	0	3	318.417	2.892	20	30		DFEDHN
CS[C@@H]1CN(c2cc(C#N)nc3ccccc32)C[C@@H]1N(C)C	ZINC000611370804	399466684	/nfs/dbraw/zinc/46/66/84/399466684.db2.gz	FTFLHRPBQGCQRF-DLBZAZTESA-N	0	3	312.442	2.588	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000611387111	399468493	/nfs/dbraw/zinc/46/84/93/399468493.db2.gz	FHNZHXNOBSJJMB-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1CCc2ccccc2CC1	ZINC000602533879	399469602	/nfs/dbraw/zinc/46/96/02/399469602.db2.gz	QEHOKPWLDPJPGT-SFHVURJKSA-N	0	3	313.445	2.709	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394698	399470117	/nfs/dbraw/zinc/47/01/17/399470117.db2.gz	WQAXDWHBURUCOK-ZYUBPSHWSA-N	0	3	309.413	2.535	20	30		DFEDHN
CCn1nc(C)c(CN[C@H](C)CC2(C#N)CCOCC2)c1C	ZINC000602534929	399470306	/nfs/dbraw/zinc/47/03/06/399470306.db2.gz	VWSAFLPKNXWTKE-CYBMUJFWSA-N	0	3	304.438	2.708	20	30		DFEDHN
CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1	ZINC000065533835	184362021	/nfs/dbraw/zinc/36/20/21/184362021.db2.gz	HANYOOPQUDIHGE-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
C[C@H](CCC#N)CN[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000602549961	399472973	/nfs/dbraw/zinc/47/29/73/399472973.db2.gz	GLRMPXIHPFQKFW-OCCSQVGLSA-N	0	3	305.809	2.975	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21	ZINC000602557502	399475152	/nfs/dbraw/zinc/47/51/52/399475152.db2.gz	XNYRJQPBYUQHMM-GJZGRUSLSA-N	0	3	305.809	2.855	20	30		DFEDHN
N#CC1CCC(N[C@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000602560012	399475689	/nfs/dbraw/zinc/47/56/89/399475689.db2.gz	ADVHUEVXFQIGIF-PIMMBPRGSA-N	0	3	301.365	2.603	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)n1	ZINC000602565103	399477519	/nfs/dbraw/zinc/47/75/19/399477519.db2.gz	PPKNDJLMGGRDGU-INIZCTEOSA-N	0	3	312.804	2.975	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC2(CCSCC2)CC1	ZINC000602585073	399483742	/nfs/dbraw/zinc/48/37/42/399483742.db2.gz	CHKGQPAULYBLQC-AWEZNQCLSA-N	0	3	309.479	2.533	20	30		DFEDHN
Cc1ccc([C@H](CNCc2cccc(C#N)n2)N2CCCC2)o1	ZINC000602585906	399483872	/nfs/dbraw/zinc/48/38/72/399483872.db2.gz	KTLHXWJHAMNRLC-KRWDZBQOSA-N	0	3	310.401	2.781	20	30		DFEDHN
CSc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccn1	ZINC000602601392	399487082	/nfs/dbraw/zinc/48/70/82/399487082.db2.gz	LHHBSKRTGQKNMS-ZDUSSCGKSA-N	0	3	305.447	2.992	20	30		DFEDHN
Cc1csc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)n1	ZINC000602603847	399488022	/nfs/dbraw/zinc/48/80/22/399488022.db2.gz	SFOXQHKNCDRWBP-CHWSQXEVSA-N	0	3	306.435	2.526	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)c1	ZINC000113364750	194582792	/nfs/dbraw/zinc/58/27/92/194582792.db2.gz	IWJQOLRTWCBRSD-MRXNPFEDSA-N	0	3	300.406	2.944	20	30		DFEDHN
C[C@@H](O)[C@@](C)(CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602632397	399497309	/nfs/dbraw/zinc/49/73/09/399497309.db2.gz	SVVGBGLCFKAKGM-DNVCBOLYSA-N	0	3	309.413	2.673	20	30		DFEDHN
COc1ccc(C)cc1CN1CCN(CCCCC#N)CC1	ZINC000611614213	399498577	/nfs/dbraw/zinc/49/85/77/399498577.db2.gz	CNGLBSLBFUMUJV-UHFFFAOYSA-N	0	3	301.434	2.815	20	30		DFEDHN
CC(C)[C@@H](C#N)N1CCN(C[C@H]2CCc3ccccc3C2)CC1	ZINC000611668365	399503422	/nfs/dbraw/zinc/50/34/22/399503422.db2.gz	FRWOLASYXASJIE-FXAWDEMLSA-N	0	3	311.473	2.957	20	30		DFEDHN
CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CCc3ccccc3C2)CC1	ZINC000611668368	399503518	/nfs/dbraw/zinc/50/35/18/399503518.db2.gz	FRWOLASYXASJIE-YLJYHZDGSA-N	0	3	311.473	2.957	20	30		DFEDHN
Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)sn1	ZINC000602658170	399506212	/nfs/dbraw/zinc/50/62/12/399506212.db2.gz	CLJLLXPEXKETHJ-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
C[C@@H]1[C@H](NCc2cccc(C#N)n2)CCN1Cc1ccccc1	ZINC000602663946	399508292	/nfs/dbraw/zinc/50/82/92/399508292.db2.gz	LJNSMYAEKXWXPK-DNVCBOLYSA-N	0	3	306.413	2.706	20	30		DFEDHN
Cc1ccnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000616744371	399509085	/nfs/dbraw/zinc/50/90/85/399509085.db2.gz	KLPRAWYBGCOOOU-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
CC[C@@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21	ZINC000602672417	399513453	/nfs/dbraw/zinc/51/34/53/399513453.db2.gz	YIAUWYJBEDCOAF-IBGZPJMESA-N	0	3	307.397	2.921	20	30		DFEDHN
C#CCCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000287825899	335048221	/nfs/dbraw/zinc/04/82/21/335048221.db2.gz	BEDZBSHVCCPABE-RDJZCZTQSA-N	0	3	301.434	2.781	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NCc1ccccc1CN(C)C)OCC	ZINC000270023446	208077578	/nfs/dbraw/zinc/07/75/78/208077578.db2.gz	BLXLRYWVKBMEGM-KRWDZBQOSA-N	0	3	304.434	2.736	20	30		DFEDHN
C#CCCCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000287825898	335048321	/nfs/dbraw/zinc/04/83/21/335048321.db2.gz	BEDZBSHVCCPABE-NVXWUHKLSA-N	0	3	301.434	2.781	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)OCC	ZINC000270106153	208164857	/nfs/dbraw/zinc/16/48/57/208164857.db2.gz	HZWJAICFBOFZPG-MSOLQXFVSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)OCC	ZINC000270147814	208206380	/nfs/dbraw/zinc/20/63/80/208206380.db2.gz	UTPZZXDYGHGZQI-DLBZAZTESA-N	0	3	304.434	2.777	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](C)CCC#N)C1	ZINC000602710014	399532838	/nfs/dbraw/zinc/53/28/38/399532838.db2.gz	UZMROQSELVATBL-TUAOUCFPSA-N	0	3	306.328	2.600	20	30		DFEDHN
C=C(C)CN(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417685780	335048627	/nfs/dbraw/zinc/04/86/27/335048627.db2.gz	PGNDKFPHTRKPLK-UHFFFAOYSA-N	0	3	321.421	2.675	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1	ZINC000287631259	335048828	/nfs/dbraw/zinc/04/88/28/335048828.db2.gz	KJGBDWOSXUQDIG-HIFRSBDPSA-N	0	3	313.319	2.898	20	30		DFEDHN
CC(=O)NC[C@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1	ZINC000602737057	399549266	/nfs/dbraw/zinc/54/92/66/399549266.db2.gz	SLFXOYSPCRRUMJ-GOSISDBHSA-N	0	3	311.429	2.732	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1cccc2c1CCOC2	ZINC000602743021	399552702	/nfs/dbraw/zinc/55/27/02/399552702.db2.gz	SIYHTNLPHAQYKY-OAHLLOKOSA-N	0	3	314.429	2.948	20	30		DFEDHN
COc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1C#N	ZINC000288692040	220351191	/nfs/dbraw/zinc/35/11/91/220351191.db2.gz	XZFFVBIVHKYLDS-INIZCTEOSA-N	0	3	312.344	2.799	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1C#N	ZINC000157907756	197225815	/nfs/dbraw/zinc/22/58/15/197225815.db2.gz	GFDUUVJBDWNXIO-HNNXBMFYSA-N	0	3	316.405	2.513	20	30		DFEDHN
N#CCC1(CN2CCC(CCCN3CCOCC3)CC2)CC1	ZINC000602803968	399580801	/nfs/dbraw/zinc/58/08/01/399580801.db2.gz	CISPNHRUBGIYPC-UHFFFAOYSA-N	0	3	305.466	2.505	20	30		DFEDHN
C[C@H](CCN1C[C@@H](C)N(CC#N)[C@H](C)C1)OCc1ccccc1	ZINC000602853036	399603493	/nfs/dbraw/zinc/60/34/93/399603493.db2.gz	GAVUKDKTXAAWSE-KZNAEPCWSA-N	0	3	315.461	2.900	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)cc1F	ZINC000294775855	224213182	/nfs/dbraw/zinc/21/31/82/224213182.db2.gz	KRCWGZJKQFOLTD-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C(C)(C)C	ZINC000602873304	399611417	/nfs/dbraw/zinc/61/14/17/399611417.db2.gz	IUZIJKLBJFQRJO-KRWDZBQOSA-N	0	3	301.434	2.599	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@@H](C)C1	ZINC000120383376	195156157	/nfs/dbraw/zinc/15/61/57/195156157.db2.gz	ATLZXKZTKHUWKL-NEPJUHHUSA-N	0	3	321.371	2.687	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1	ZINC000625700554	399616080	/nfs/dbraw/zinc/61/60/80/399616080.db2.gz	KEXVIASFCAJCOI-UONOGXRCSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nn2)C1	ZINC000625701327	399617191	/nfs/dbraw/zinc/61/71/91/399617191.db2.gz	IUJXHSRAMRBTCF-NSHDSACASA-N	0	3	301.312	2.816	20	30		DFEDHN
C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261449	399618926	/nfs/dbraw/zinc/61/89/26/399618926.db2.gz	SILJFYPPMFTJBT-QWHCGFSZSA-N	0	3	304.390	2.587	20	30		DFEDHN
CC1(C)CO[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000602898842	399619484	/nfs/dbraw/zinc/61/94/84/399619484.db2.gz	YEDNVQKZWAPGCU-QGZVFWFLSA-N	0	3	314.429	2.969	20	30		DFEDHN
CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1cccs1	ZINC000289481592	221006508	/nfs/dbraw/zinc/00/65/08/221006508.db2.gz	QOMSXHDDTXUZKV-UHFFFAOYSA-N	0	3	302.447	2.522	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C	ZINC000620912717	399631041	/nfs/dbraw/zinc/63/10/41/399631041.db2.gz	RGJLGHVFQIFEON-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
Cc1ncsc1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000289793203	221230319	/nfs/dbraw/zinc/23/03/19/221230319.db2.gz	MBSXXRYEGCQFLE-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
Cc1ccncc1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000289981436	221358494	/nfs/dbraw/zinc/35/84/94/221358494.db2.gz	ZXSBTHIMVHHAAX-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21	ZINC000602997836	399655487	/nfs/dbraw/zinc/65/54/87/399655487.db2.gz	RVDPRFWLSQSKNK-ULQDDVLXSA-N	0	3	300.402	2.692	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21	ZINC000602997835	399655932	/nfs/dbraw/zinc/65/59/32/399655932.db2.gz	RVDPRFWLSQSKNK-IKGGRYGDSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1	ZINC000603068311	399670038	/nfs/dbraw/zinc/67/00/38/399670038.db2.gz	XVZDYCVLWXIRQC-HZPDHXFCSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(C)CCOc1ccc(CN2CCC[C@](C)(C#N)C2)cc1	ZINC000612407071	399644670	/nfs/dbraw/zinc/64/46/70/399644670.db2.gz	YOADYYXPSSPYJW-GOSISDBHSA-N	0	3	301.434	2.753	20	30		DFEDHN
CN(C)CCOc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1	ZINC000612407072	399644692	/nfs/dbraw/zinc/64/46/92/399644692.db2.gz	YOADYYXPSSPYJW-SFHVURJKSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCc2nnc(CC)n2C1	ZINC000624356663	399652336	/nfs/dbraw/zinc/65/23/36/399652336.db2.gz	IYYYVJTYBUKFSP-OAHLLOKOSA-N	0	3	312.417	2.510	20	30		DFEDHN
C[C@@H](NC(=O)Nc1ccnc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000603133906	399691295	/nfs/dbraw/zinc/69/12/95/399691295.db2.gz	JFNATQDLPZXJQE-CXAGYDPISA-N	0	3	323.400	2.766	20	30		DFEDHN
N#Cc1cc(Cn2cc(CNC3CCCCC3)nn2)ccc1F	ZINC000603201946	399709409	/nfs/dbraw/zinc/70/94/09/399709409.db2.gz	VNDPMZIXAHUKHO-UHFFFAOYSA-N	0	3	313.380	2.759	20	30		DFEDHN
N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccccc1Cl	ZINC000612740569	399714004	/nfs/dbraw/zinc/71/40/04/399714004.db2.gz	ORXJSULHTINKBG-HOTGVXAUSA-N	0	3	317.820	2.895	20	30		DFEDHN
Cc1cc(C#N)ccc1Cn1cc(CNC2CCCCC2)nn1	ZINC000603233820	399718363	/nfs/dbraw/zinc/71/83/63/399718363.db2.gz	BZAWXTIVCYWIDO-UHFFFAOYSA-N	0	3	309.417	2.929	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H](CCO)C2)cc(OC)c1O	ZINC000093106261	542551228	/nfs/dbraw/zinc/55/12/28/542551228.db2.gz	RPJHWRSWJSPOQG-CQSZACIVSA-N	0	3	305.418	2.724	20	30		DFEDHN
N#Cc1ccc(CCn2cc(CNC3CCCCC3)nn2)cc1	ZINC000603249411	399722075	/nfs/dbraw/zinc/72/20/75/399722075.db2.gz	VPYSOHDMFBMSRV-UHFFFAOYSA-N	0	3	309.417	2.815	20	30		DFEDHN
CCN1CCC[C@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603277493	399729839	/nfs/dbraw/zinc/72/98/39/399729839.db2.gz	JSZRQGVMBZPXSR-NSHDSACASA-N	0	3	309.211	2.612	20	30		DFEDHN
CCC[C@H]1CN(Cc2cc(C#N)ccc2F)CCN1CCOC	ZINC000121738157	195337571	/nfs/dbraw/zinc/33/75/71/195337571.db2.gz	PELUZFTYLLOSHJ-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
C=CCN(C(=O)C[C@@H](c1ccccc1)N(C)C)[C@@H](C)COC	ZINC000617582613	399748671	/nfs/dbraw/zinc/74/86/71/399748671.db2.gz	QKZNSYBEGMQDTB-RDJZCZTQSA-N	0	3	304.434	2.729	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1	ZINC000272406719	130028109	/nfs/dbraw/zinc/02/81/09/130028109.db2.gz	BMTUXUIUCCWMIN-KRWDZBQOSA-N	0	3	321.380	2.549	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccnn1CCc1ccccc1	ZINC000621359530	399765485	/nfs/dbraw/zinc/76/54/85/399765485.db2.gz	LZCPEQHOJTWLNY-MOPGFXCFSA-N	0	3	311.429	2.949	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000289597998	335064624	/nfs/dbraw/zinc/06/46/24/335064624.db2.gz	SSSGNBOFGZTOKQ-LJQANCHMSA-N	0	3	306.409	2.630	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN(C)C1CCC1	ZINC000629992224	399785364	/nfs/dbraw/zinc/78/53/64/399785364.db2.gz	PBJGKEYUAZTEPL-UHFFFAOYSA-N	0	3	318.465	2.853	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1nc2c(s1)CCCC2)N(C)C1CC1	ZINC000328827034	543098219	/nfs/dbraw/zinc/09/82/19/543098219.db2.gz	IGQQGHUNXWFPEK-JTQLQIEISA-N	0	3	308.451	2.831	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)c2ccccc2n1	ZINC000617976645	399855141	/nfs/dbraw/zinc/85/51/41/399855141.db2.gz	HBSNJYFSDMBMLC-INIZCTEOSA-N	0	3	306.413	2.957	20	30		DFEDHN
C=CCNC(=O)CN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1	ZINC000053097922	425886661	/nfs/dbraw/zinc/88/66/61/425886661.db2.gz	CQIHEIFZNJICLX-AWEZNQCLSA-N	0	3	302.418	2.598	20	30		DFEDHN
COc1cc(C)c(CNCCOc2ccc(C#N)cc2)c(C)n1	ZINC000358970537	543271093	/nfs/dbraw/zinc/27/10/93/543271093.db2.gz	DGLOPVINSZYAAO-UHFFFAOYSA-N	0	3	311.385	2.747	20	30		DFEDHN
CC[C@@H](CC#N)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000390885582	543307415	/nfs/dbraw/zinc/30/74/15/543307415.db2.gz	BPGVYRWCTSRHTB-ROUUACIJSA-N	0	3	301.434	2.559	20	30		DFEDHN
N#Cc1ccc(N2CCCN3CCC[C@@H]3C2)c(Br)c1	ZINC000168554216	145244686	/nfs/dbraw/zinc/24/46/86/145244686.db2.gz	OENOOJJWPWCLCN-CYBMUJFWSA-N	0	3	320.234	2.995	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1OC	ZINC000633374172	399894366	/nfs/dbraw/zinc/89/43/66/399894366.db2.gz	ZLWDWRVEYNPGOR-ZDUSSCGKSA-N	0	3	306.406	2.677	20	30		DFEDHN
C=C1CC(C)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1	ZINC000630908263	399946046	/nfs/dbraw/zinc/94/60/46/399946046.db2.gz	SIMJUKUYZMOCBM-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)o1	ZINC000246259928	146134650	/nfs/dbraw/zinc/13/46/50/146134650.db2.gz	UDPUFMQHGYSAJA-RDTXWAMCSA-N	0	3	310.401	2.546	20	30		DFEDHN
C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1n1ccnc1	ZINC000247786412	146170315	/nfs/dbraw/zinc/17/03/15/146170315.db2.gz	YLWJBFCTVPFFPZ-CRAIPNDOSA-N	0	3	310.401	2.717	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2C[C@H](F)CN2Cc2cccs2)o1	ZINC000354870540	147184398	/nfs/dbraw/zinc/18/43/98/147184398.db2.gz	JUPHHMQUQMZDFM-QWHCGFSZSA-N	0	3	319.405	2.915	20	30		DFEDHN
N#CCc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1	ZINC000595965584	543465721	/nfs/dbraw/zinc/46/57/21/543465721.db2.gz	GLAZTWORPMOANP-GOSISDBHSA-N	0	3	321.380	2.666	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000358285387	148318318	/nfs/dbraw/zinc/31/83/18/148318318.db2.gz	ZIZGNPKTKPBNLU-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
Cc1nn(C)c(C)c1CCN[C@@H](C)c1ccc(C#N)cc1F	ZINC000358571742	148387567	/nfs/dbraw/zinc/38/75/67/148387567.db2.gz	PRTALTTWFHCJSY-NSHDSACASA-N	0	3	300.381	2.941	20	30		DFEDHN
C[C@@H](NC1CCC(S(C)(=O)=O)CC1)c1ccc(C#N)cc1F	ZINC000358576666	148390710	/nfs/dbraw/zinc/39/07/10/148390710.db2.gz	UPFIVGVIJXLEQV-LMWSTFAQSA-N	0	3	324.421	2.704	20	30		DFEDHN
C[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(C#N)cc1F	ZINC000358578768	148391427	/nfs/dbraw/zinc/39/14/27/148391427.db2.gz	WOMOWORKJVHOQR-WBMJQRKESA-N	0	3	307.438	2.785	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(CC2CCCC2)C1	ZINC000361176440	149047672	/nfs/dbraw/zinc/04/76/72/149047672.db2.gz	CTAZBVNKOFVRAG-CQSZACIVSA-N	0	3	315.377	2.538	20	30		DFEDHN
Cc1cc(CN2CCC(C(=O)N(C)C(C)C)CC2)ccc1C#N	ZINC000362925179	149399340	/nfs/dbraw/zinc/39/93/40/149399340.db2.gz	ROVMVQXKIBFVOS-UHFFFAOYSA-N	0	3	313.445	2.946	20	30		DFEDHN
Cc1nc(C2CCN(CCOc3cccc(C#N)c3)CC2)no1	ZINC000371489188	150055059	/nfs/dbraw/zinc/05/50/59/150055059.db2.gz	ZYZIFSWMJOBEPR-UHFFFAOYSA-N	0	3	312.373	2.508	20	30		DFEDHN
CCCn1nccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1	ZINC000374372931	150354029	/nfs/dbraw/zinc/35/40/29/150354029.db2.gz	QLVOHWBTASCQHC-UHFFFAOYSA-N	0	3	311.433	2.883	20	30		DFEDHN
N#Cc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1	ZINC000428547174	296704950	/nfs/dbraw/zinc/70/49/50/296704950.db2.gz	NBSSDVRDPDSTFX-RBUKOAKNSA-N	0	3	310.372	2.953	20	30		DFEDHN
CC1CCN(C[C@H](O)CNc2c(Cl)cccc2C#N)CC1	ZINC000301563198	158219736	/nfs/dbraw/zinc/21/97/36/158219736.db2.gz	VJUFQNPNCGHAEE-CQSZACIVSA-N	0	3	307.825	2.716	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@H](Oc3ccccn3)C2)c1	ZINC000357007405	158345973	/nfs/dbraw/zinc/34/59/73/158345973.db2.gz	CSTSZIXUTYMTFV-SFHVURJKSA-N	0	3	323.396	2.875	20	30		DFEDHN
CC(C)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCOCC1	ZINC000358590742	158392191	/nfs/dbraw/zinc/39/21/91/158392191.db2.gz	OBFOGKBUGNUDJU-KDOFPFPSSA-N	0	3	319.424	2.705	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCCCCO)CC2)c(F)c1	ZINC000375749244	158859651	/nfs/dbraw/zinc/85/96/51/158859651.db2.gz	CFBMGHFVOXBBPJ-UHFFFAOYSA-N	0	3	306.381	2.703	20	30		DFEDHN
CCc1cnc(CCNCc2ccc(C#N)c(OC)c2)s1	ZINC000440826597	297166583	/nfs/dbraw/zinc/16/65/83/297166583.db2.gz	ZVAOASFJMOSXRL-UHFFFAOYSA-N	0	3	301.415	2.918	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CCOCCOC)ccc1OC	ZINC000290279780	335070886	/nfs/dbraw/zinc/07/08/86/335070886.db2.gz	YZMCBJMMWJDULQ-UHFFFAOYSA-N	0	3	323.433	2.745	20	30		DFEDHN
CC(C)(CNC(=O)Nc1cccc(C#N)c1)N1CCCCC1	ZINC000053964155	425889065	/nfs/dbraw/zinc/88/90/65/425889065.db2.gz	QFRQBRSCLHNISJ-UHFFFAOYSA-N	0	3	300.406	2.944	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nn(-c3ccccc3)cc2C)CC1	ZINC000184429779	335072121	/nfs/dbraw/zinc/07/21/21/335072121.db2.gz	FFLHMUFMLUZIQS-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cc(F)cc(F)c2)CC1	ZINC000290348494	335072743	/nfs/dbraw/zinc/07/27/43/335072743.db2.gz	YBWZKGLPXFSNNB-UHFFFAOYSA-N	0	3	324.371	2.500	20	30		DFEDHN
C=CCC1(CNC(=O)Nc2cnc3c(c2)CNCC3)CCCC1	ZINC000667800395	543682207	/nfs/dbraw/zinc/68/22/07/543682207.db2.gz	FALJOWMGLZIQIH-UHFFFAOYSA-N	0	3	314.433	2.985	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000290420658	335073248	/nfs/dbraw/zinc/07/32/48/335073248.db2.gz	JPDQBBMLOLUXSW-CZUORRHYSA-N	0	3	308.397	2.526	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(OC)c2Cl)CC1	ZINC000668369972	543798819	/nfs/dbraw/zinc/79/88/19/543798819.db2.gz	KELVBOJVGBEWNU-UHFFFAOYSA-N	0	3	322.836	2.658	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c(Cl)cnn1C)C(C)C	ZINC000668682468	543844801	/nfs/dbraw/zinc/84/48/01/543844801.db2.gz	HUODBUMHCZXGAZ-AWEZNQCLSA-N	0	3	324.856	2.502	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)[C@](C)(CO)C2)cc(OC)c1O	ZINC000668738893	543858691	/nfs/dbraw/zinc/85/86/91/543858691.db2.gz	KQHNUEDKKOMSGF-UGSOOPFHSA-N	0	3	305.418	2.580	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1cccs1	ZINC000296578479	226013224	/nfs/dbraw/zinc/01/32/24/226013224.db2.gz	QYWHAKCTCNUBTG-LBPRGKRZSA-N	0	3	317.374	2.638	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1	ZINC000670096572	544022192	/nfs/dbraw/zinc/02/21/92/544022192.db2.gz	OPMDJUMOCGLNLU-QGZVFWFLSA-N	0	3	323.408	2.901	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1	ZINC000670096571	544022236	/nfs/dbraw/zinc/02/22/36/544022236.db2.gz	OPMDJUMOCGLNLU-KRWDZBQOSA-N	0	3	323.408	2.901	20	30		DFEDHN
COCC#CCN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000670092265	544022363	/nfs/dbraw/zinc/02/23/63/544022363.db2.gz	UVKPAUSPQRENRQ-ZWKOTPCHSA-N	0	3	322.399	2.728	20	30		DFEDHN
O=C1C[C@@H]([C@@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CN1	ZINC000671448817	544074291	/nfs/dbraw/zinc/07/42/91/544074291.db2.gz	HPLZNVKPECWIKD-HZPDHXFCSA-N	0	3	316.832	2.540	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000290950490	335077762	/nfs/dbraw/zinc/07/77/62/335077762.db2.gz	BCIXRLUSMSMOAF-TZIWHRDSSA-N	0	3	318.420	2.772	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000291264109	222269205	/nfs/dbraw/zinc/26/92/05/222269205.db2.gz	LBCZJXYCSYAYJG-GOSISDBHSA-N	0	3	315.392	2.660	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)[C@@H]2CCCCO2)CC1	ZINC000675187111	544291710	/nfs/dbraw/zinc/29/17/10/544291710.db2.gz	LUXZXLQYPLNLRM-INIZCTEOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000674934362	544278362	/nfs/dbraw/zinc/27/83/62/544278362.db2.gz	ZAWRXALIIWSENV-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC(F)(F)C2)CC1	ZINC000675651203	544326222	/nfs/dbraw/zinc/32/62/22/544326222.db2.gz	LCBSKWSZVCPGHU-CYBMUJFWSA-N	0	3	301.381	2.514	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000677479946	544496386	/nfs/dbraw/zinc/49/63/86/544496386.db2.gz	SBYVRJCOKYMNLG-OAHLLOKOSA-N	0	3	305.466	2.885	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(C)nn(C)c1Oc1ccccc1	ZINC000678731923	544713373	/nfs/dbraw/zinc/71/33/73/544713373.db2.gz	AIGVABZVMLIPTI-OAHLLOKOSA-N	0	3	315.417	2.795	20	30		DFEDHN
N#Cc1ccc(NCC2(N3CCSCC3)CCCCC2)nn1	ZINC000302004196	230028263	/nfs/dbraw/zinc/02/82/63/230028263.db2.gz	RRYFYLWREKIBRR-UHFFFAOYSA-N	0	3	317.462	2.512	20	30		DFEDHN
C=CCOCCNCc1ccc(Br)cc1OC	ZINC000679751133	544908987	/nfs/dbraw/zinc/90/89/87/544908987.db2.gz	KZNKCBGLENAKFG-UHFFFAOYSA-N	0	3	300.196	2.750	20	30		DFEDHN
C[C@@H](CCN1CCN(C)CC1)Nc1ccc2cc(C#N)ccc2n1	ZINC000302288615	230210530	/nfs/dbraw/zinc/21/05/30/230210530.db2.gz	WGUHHUUGVUMHIX-HNNXBMFYSA-N	0	3	323.444	2.544	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1	ZINC000292235693	335086580	/nfs/dbraw/zinc/08/65/80/335086580.db2.gz	JDSXICAJAVYIPS-UHFFFAOYSA-N	0	3	321.764	2.532	20	30		DFEDHN
C#CCCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000155874137	425928551	/nfs/dbraw/zinc/92/85/51/425928551.db2.gz	PMHFZIDAFRKCHS-QGZVFWFLSA-N	0	3	316.420	2.957	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2cncc(C#N)n2)CC1	ZINC000420586491	270000576	/nfs/dbraw/zinc/00/05/76/270000576.db2.gz	OCRORACOQXFKAY-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
C#CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1	ZINC000155892006	425930098	/nfs/dbraw/zinc/93/00/98/425930098.db2.gz	DZRHLDZVUSSNTH-UHFFFAOYSA-N	0	3	315.804	2.726	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@@H]2CCc3ccc(C#N)cc32)c1	ZINC000353412293	269999354	/nfs/dbraw/zinc/99/93/54/269999354.db2.gz	LIVXCVSAPQZSEO-LJQANCHMSA-N	0	3	319.408	2.874	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN[C@@H]2CC[C@H]2O)c1	ZINC000424202527	270000739	/nfs/dbraw/zinc/00/07/39/270000739.db2.gz	PUMFHCKWHZVNFT-RTBURBONSA-N	0	3	308.381	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(CCOC)CCCC2)CC1	ZINC000155965548	425931599	/nfs/dbraw/zinc/93/15/99/425931599.db2.gz	CPHYHADIPYPJJD-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
CCC(C)(C)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000156940588	425937301	/nfs/dbraw/zinc/93/73/01/425937301.db2.gz	GRMXRKUTKWCSLW-HNNXBMFYSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC(C)CN(C(=O)c1cscc1C#N)C1CCN(C)CC1	ZINC000410872110	265795059	/nfs/dbraw/zinc/79/50/59/265795059.db2.gz	NDRQVAUSGLZJQL-UHFFFAOYSA-N	0	3	305.447	2.812	20	30		DFEDHN
CCN(CCN1C[C@H]2CC[C@@H](C1)O2)[C@H](C)c1ccc(C#N)cc1	ZINC000342475770	266124985	/nfs/dbraw/zinc/12/49/85/266124985.db2.gz	YZEBBRDNOLWKKW-LZQZEXGQSA-N	0	3	313.445	2.804	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCOCC2	ZINC000348519886	266294450	/nfs/dbraw/zinc/29/44/50/266294450.db2.gz	GKDOXGBHRHDUCH-HZPDHXFCSA-N	0	3	318.392	2.761	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000345196351	267000426	/nfs/dbraw/zinc/00/04/26/267000426.db2.gz	KGIUJNBIAAFTJN-MAUKXSAKSA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)ccn2)C1	ZINC000352039819	267002783	/nfs/dbraw/zinc/00/27/83/267002783.db2.gz	JLKXTRKYHTWIFF-YOEHRIQHSA-N	0	3	320.396	2.519	20	30		DFEDHN
CCCCN(C)CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000512319175	267004669	/nfs/dbraw/zinc/00/46/69/267004669.db2.gz	GKKFAOXZKBDIAG-UHFFFAOYSA-N	0	3	319.424	2.823	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(F)c(C#N)c1	ZINC000352246467	267016580	/nfs/dbraw/zinc/01/65/80/267016580.db2.gz	PYOJWCXBRMLVIL-CHWSQXEVSA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000342357580	267018982	/nfs/dbraw/zinc/01/89/82/267018982.db2.gz	GFUZANYIEBPCPG-CRAIPNDOSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc(C(F)(F)F)ccc1C#N	ZINC000342180410	267046664	/nfs/dbraw/zinc/04/66/64/267046664.db2.gz	AWEARLMDGIBIMN-BXKDBHETSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)o1	ZINC000342099934	267055520	/nfs/dbraw/zinc/05/55/20/267055520.db2.gz	LHQIGHRQISWWQE-PBHICJAKSA-N	0	3	323.396	2.792	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cn2ccccc2c1C#N	ZINC000343914403	267066887	/nfs/dbraw/zinc/06/68/87/267066887.db2.gz	FPYHCZGNKMZRBX-NVXWUHKLSA-N	0	3	308.429	2.870	20	30		DFEDHN
C[C@@]1(CNC(=O)c2ccc(C#N)o2)CCCN1Cc1ccccc1	ZINC000347458340	267116256	/nfs/dbraw/zinc/11/62/56/267116256.db2.gz	XXRONQKXQXBMDD-IBGZPJMESA-N	0	3	323.396	2.936	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@]12CCCO2	ZINC000444002597	267152937	/nfs/dbraw/zinc/15/29/37/267152937.db2.gz	KDYAEHZGAXKCDB-RCCFBDPRSA-N	0	3	300.402	2.683	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NCc1nc(C#N)cs1	ZINC000352810357	267155539	/nfs/dbraw/zinc/15/55/39/267155539.db2.gz	MLWKWDAXFQOPML-CYBMUJFWSA-N	0	3	300.431	2.625	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000442674420	267203167	/nfs/dbraw/zinc/20/31/67/267203167.db2.gz	WIRUISYTQOIROA-SUMDDJOVSA-N	0	3	313.445	2.662	20	30		DFEDHN
CCn1nnc(C)c1CNCCSCc1ccccc1C#N	ZINC000449064188	267265676	/nfs/dbraw/zinc/26/56/76/267265676.db2.gz	SVLFCYXHLUAHGP-UHFFFAOYSA-N	0	3	315.446	2.501	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419625091	267278375	/nfs/dbraw/zinc/27/83/75/267278375.db2.gz	WCTFQPJFTUYBAA-MRXNPFEDSA-N	0	3	314.433	2.575	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)c2c[nH]c(C#N)c2)CCC1	ZINC000452727399	267320801	/nfs/dbraw/zinc/32/08/01/267320801.db2.gz	GNWDJDRYGLHYLX-UHFFFAOYSA-N	0	3	322.412	2.671	20	30		DFEDHN
Cc1cc(N(C)C[C@@H]2CCN(C)[C@@H]2c2cccnc2)cc(C#N)n1	ZINC000343018059	267334114	/nfs/dbraw/zinc/33/41/14/267334114.db2.gz	USRSMAAMJQZQKW-QFBILLFUSA-N	0	3	321.428	2.786	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000448021425	267334239	/nfs/dbraw/zinc/33/42/39/267334239.db2.gz	ILVQBFRZUXOBGH-HNNXBMFYSA-N	0	3	318.396	2.939	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C#N)s1	ZINC000420846566	267334548	/nfs/dbraw/zinc/33/45/48/267334548.db2.gz	VEKXJVBWTYUIPI-AWEZNQCLSA-N	0	3	320.462	2.539	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)cc2OC(F)F)CCC1	ZINC000459388094	267359936	/nfs/dbraw/zinc/35/99/36/267359936.db2.gz	LAWDSVNFFRCHTF-UHFFFAOYSA-N	0	3	324.327	2.735	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC(C)CC1	ZINC000420806627	267696567	/nfs/dbraw/zinc/69/65/67/267696567.db2.gz	PPBRMVJXXKFBBM-ZDUSSCGKSA-N	0	3	320.462	2.539	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1	ZINC000046721962	425866175	/nfs/dbraw/zinc/86/61/75/425866175.db2.gz	XKXDKIAXLQJPGI-UHFFFAOYSA-N	0	3	309.369	2.751	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)Cc1ccc(C#N)cc1	ZINC000046527241	425865645	/nfs/dbraw/zinc/86/56/45/425865645.db2.gz	LMULZPMEAJOXTE-UHFFFAOYSA-N	0	3	324.409	2.952	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1cccs1	ZINC000037890353	425849642	/nfs/dbraw/zinc/84/96/42/425849642.db2.gz	MLCJTRWTZAKIHC-GXTWGEPZSA-N	0	3	302.399	2.710	20	30		DFEDHN
Cc1cc(N(C)C[C@@H]2CCCN(C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413131336	268005076	/nfs/dbraw/zinc/00/50/76/268005076.db2.gz	APYYSMALHAMJLT-CYBMUJFWSA-N	0	3	302.378	2.553	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)o1	ZINC000525914356	268035717	/nfs/dbraw/zinc/03/57/17/268035717.db2.gz	IWVOFQHQVDTYCP-MRXNPFEDSA-N	0	3	307.353	2.501	20	30		DFEDHN
N#Cc1ccc(C2=CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1	ZINC000343579729	268055372	/nfs/dbraw/zinc/05/53/72/268055372.db2.gz	DNOXCUIASFYWTF-BGYRXZFFSA-N	0	3	323.440	2.511	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)cc2)s1	ZINC000343750168	268074014	/nfs/dbraw/zinc/07/40/14/268074014.db2.gz	AREKTCJRSXAGSV-UHFFFAOYSA-N	0	3	319.817	2.793	20	30		DFEDHN
N#Cc1ccc(CNCCOCC(F)F)c(C(F)(F)F)c1	ZINC000352955121	268074270	/nfs/dbraw/zinc/07/42/70/268074270.db2.gz	YGFQBURDTPVMLB-UHFFFAOYSA-N	0	3	308.250	2.948	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000344347294	268075574	/nfs/dbraw/zinc/07/55/74/268075574.db2.gz	SVPXNKIEEFNEIW-LSDHHAIUSA-N	0	3	322.380	2.947	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c(F)c1	ZINC000344337854	268076518	/nfs/dbraw/zinc/07/65/18/268076518.db2.gz	FTOBTSRWCGRTLQ-INIZCTEOSA-N	0	3	323.371	2.872	20	30		DFEDHN
N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1	ZINC000344322083	268076629	/nfs/dbraw/zinc/07/66/29/268076629.db2.gz	XJEVSDVOYYEVMC-IAGOWNOFSA-N	0	3	316.351	2.885	20	30		DFEDHN
C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000193853500	268081706	/nfs/dbraw/zinc/08/17/06/268081706.db2.gz	NDDYYGHNCJHRMU-MRXNPFEDSA-N	0	3	306.413	2.879	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC[C@H]2C(F)F)cc1	ZINC000330403966	268084288	/nfs/dbraw/zinc/08/42/88/268084288.db2.gz	MKJMWLYPWYYJGI-GJZGRUSLSA-N	0	3	317.339	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccsc2)cc1	ZINC000348086961	268084924	/nfs/dbraw/zinc/08/49/24/268084924.db2.gz	DWPSUBCXCXOOON-INIZCTEOSA-N	0	3	309.394	2.661	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2F)cc1	ZINC000347997988	268087025	/nfs/dbraw/zinc/08/70/25/268087025.db2.gz	RKGRXVRSUGUJPE-INIZCTEOSA-N	0	3	307.328	2.696	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC[C@H]2C(F)F)cc1	ZINC000330403965	268088190	/nfs/dbraw/zinc/08/81/90/268088190.db2.gz	MKJMWLYPWYYJGI-CABCVRRESA-N	0	3	317.339	2.887	20	30		DFEDHN
N#Cc1cc2c(nc1N1CCN(C3CCCCC3)CC1)CCC2	ZINC000481837951	268194070	/nfs/dbraw/zinc/19/40/70/268194070.db2.gz	OWSHIDDUTYMRHB-UHFFFAOYSA-N	0	3	310.445	2.897	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1	ZINC000521632458	268216930	/nfs/dbraw/zinc/21/69/30/268216930.db2.gz	SJGWZPYNOXLQIF-GDBMZVCRSA-N	0	3	315.373	2.715	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)cc1	ZINC000421017711	268222177	/nfs/dbraw/zinc/22/21/77/268222177.db2.gz	MHNNTDXKZBLHKI-LJQANCHMSA-N	0	3	310.372	2.877	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H](CO)Cc1ccc(F)cc1)CC2	ZINC000353279234	268223739	/nfs/dbraw/zinc/22/37/39/268223739.db2.gz	VEGQELFAPLWKED-HKUYNNGSSA-N	0	3	310.372	2.878	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCCC[C@@H]3OC(F)F)n2c1	ZINC000342845309	268225226	/nfs/dbraw/zinc/22/52/26/268225226.db2.gz	IKPFPPAFVDRCCP-KBPBESRZSA-N	0	3	320.343	2.846	20	30		DFEDHN
N#Cc1ccc(CNCCCNC(=O)c2cccs2)cc1F	ZINC000421364065	268232327	/nfs/dbraw/zinc/23/23/27/268232327.db2.gz	NFMVJHNAAPQMFK-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
CC[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1c(F)cccc1F	ZINC000276592513	268262606	/nfs/dbraw/zinc/26/26/06/268262606.db2.gz	DVWMZHOLOHNDPJ-NVXWUHKLSA-N	0	3	319.355	2.777	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1	ZINC000292657052	268265052	/nfs/dbraw/zinc/26/50/52/268265052.db2.gz	ACZCNMMXSPUXRU-MAUKXSAKSA-N	0	3	322.412	2.901	20	30		DFEDHN
N#Cc1cccc(/C=C\C(=O)N2CCN(C3CCCC3)CC2)c1	ZINC000491027788	268268107	/nfs/dbraw/zinc/26/81/07/268268107.db2.gz	ZYKYCCUMMMEBAW-HJWRWDBZSA-N	0	3	309.413	2.658	20	30		DFEDHN
CC[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000048681076	425876861	/nfs/dbraw/zinc/87/68/61/425876861.db2.gz	YPZDMJVAZOBLPT-GOSISDBHSA-N	0	3	310.397	2.998	20	30		DFEDHN
N#Cc1cccc(CC(=O)N2CCC[C@@H]2CN2CCCCC2)c1	ZINC000531151655	268272048	/nfs/dbraw/zinc/27/20/48/268272048.db2.gz	RUWHZCFFDZSGLK-GOSISDBHSA-N	0	3	311.429	2.578	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@@H](c3ccncn3)C2)c1	ZINC000360037998	268272094	/nfs/dbraw/zinc/27/20/94/268272094.db2.gz	FWUAWRTXZKDZFG-QGZVFWFLSA-N	0	3	322.412	2.997	20	30		DFEDHN
COc1cc(CN[C@H]2COc3ccc(F)cc3C2)ccc1C#N	ZINC000288689238	268279135	/nfs/dbraw/zinc/27/91/35/268279135.db2.gz	XSTDLNOSGQVDLB-MRXNPFEDSA-N	0	3	312.344	2.799	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@@H](N2CCCCC2)C1	ZINC000459341003	268291431	/nfs/dbraw/zinc/29/14/31/268291431.db2.gz	FYHOFDKHNPEFHI-OAHLLOKOSA-N	0	3	314.389	2.527	20	30		DFEDHN
N#Cc1cnc(NCC2(N3CCCCC3)CCOCC2)c(F)c1	ZINC000413157613	268312919	/nfs/dbraw/zinc/31/29/19/268312919.db2.gz	QGZLXIQBAULXMP-UHFFFAOYSA-N	0	3	318.396	2.539	20	30		DFEDHN
N#Cc1csc(CNCCNC(=O)c2ccc(Cl)cc2)c1	ZINC000343802720	268320489	/nfs/dbraw/zinc/32/04/89/268320489.db2.gz	DYLVJOANDZTAOO-UHFFFAOYSA-N	0	3	319.817	2.793	20	30		DFEDHN
CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n(C)c1	ZINC000048789692	425877377	/nfs/dbraw/zinc/87/73/77/425877377.db2.gz	VFGSXNZBLYGBGO-LBPRGKRZSA-N	0	3	306.325	2.594	20	30		DFEDHN
C[C@H]1CCCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000316502944	268344846	/nfs/dbraw/zinc/34/48/46/268344846.db2.gz	ADVREYRGJIVBLB-GOEBONIOSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000107635506	425997382	/nfs/dbraw/zinc/99/73/82/425997382.db2.gz	HCXJZNJYGSNXCV-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](n2ccnc2CC)C1	ZINC000105896935	425968890	/nfs/dbraw/zinc/96/88/90/425968890.db2.gz	NHCYJDVLQJVRQX-MRXNPFEDSA-N	0	3	318.465	2.507	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccoc2C)CC1	ZINC000106274960	425972201	/nfs/dbraw/zinc/97/22/01/425972201.db2.gz	GPHWXQJSFMRFRW-UHFFFAOYSA-N	0	3	305.422	2.770	20	30		DFEDHN
CCCCc1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1	ZINC000108851159	426022717	/nfs/dbraw/zinc/02/27/17/426022717.db2.gz	JLIDARLYVLIJCN-SFHVURJKSA-N	0	3	301.434	2.956	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000126556974	426025847	/nfs/dbraw/zinc/02/58/47/426025847.db2.gz	BIFIJIFRMUQHHY-GDBMZVCRSA-N	0	3	307.401	2.813	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CC1	ZINC000110570035	426034023	/nfs/dbraw/zinc/03/40/23/426034023.db2.gz	ICXVANDXSFCDHR-RBUKOAKNSA-N	0	3	310.441	2.784	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000110355130	426034452	/nfs/dbraw/zinc/03/44/52/426034452.db2.gz	CULGHONMDHGACV-HOTGVXAUSA-N	0	3	304.434	2.604	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(C)=O)cc2)CC1	ZINC000111613829	426055083	/nfs/dbraw/zinc/05/50/83/426055083.db2.gz	QATYVEDMKAQHBP-UHFFFAOYSA-N	0	3	300.402	2.660	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN1CCCSCC#N	ZINC000074991176	426060917	/nfs/dbraw/zinc/06/09/17/426060917.db2.gz	IWPDEOLBWPORPR-INIZCTEOSA-N	0	3	303.475	2.840	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1	ZINC000127329821	426061566	/nfs/dbraw/zinc/06/15/66/426061566.db2.gz	IHBKXNOAKBYCBP-SZNDQCEHSA-N	0	3	307.459	2.896	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1CCCCCC1	ZINC000075177509	426066430	/nfs/dbraw/zinc/06/64/30/426066430.db2.gz	OEJWRHBMRRVZGR-ZDUSSCGKSA-N	0	3	303.381	2.578	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCCSCC1	ZINC000129390730	426138645	/nfs/dbraw/zinc/13/86/45/426138645.db2.gz	BHCHEGBQGGXZDK-INIZCTEOSA-N	0	3	307.459	2.594	20	30		DFEDHN
N#CC(C(=O)c1cccc2c1OCO2)c1nc2ccccc2[nH]1	ZINC000077429535	426133594	/nfs/dbraw/zinc/13/35/94/426133594.db2.gz	GWZDAXWGVFQHBG-LLVKDONJSA-N	0	3	305.293	2.782	20	30		DFEDHN
Cc1nccn1CCCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000162941171	426083379	/nfs/dbraw/zinc/08/33/79/426083379.db2.gz	ZTPMHPLZXFYGKH-UHFFFAOYSA-N	0	3	324.428	2.997	20	30		DFEDHN
C[C@H](O)CN(CC(=O)Nc1sccc1C#N)C1CCCCC1	ZINC000170691246	426145885	/nfs/dbraw/zinc/14/58/85/426145885.db2.gz	MOVDDSBTNICKFQ-LBPRGKRZSA-N	0	3	321.446	2.574	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1	ZINC000171706095	426205050	/nfs/dbraw/zinc/20/50/50/426205050.db2.gz	HNYKPJIZXKZOMZ-UHFFFAOYSA-N	0	3	305.397	2.584	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cn1	ZINC000115034865	426153272	/nfs/dbraw/zinc/15/32/72/426153272.db2.gz	JLKHHCIYIUPCEC-QGZVFWFLSA-N	0	3	318.380	2.578	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccnn1C(C)C)C(C)C	ZINC000130316593	426154943	/nfs/dbraw/zinc/15/49/43/426154943.db2.gz	OSMZIFLOUARASZ-QGZVFWFLSA-N	0	3	318.465	2.892	20	30		DFEDHN
C=CCn1c(SCCN(CC)CC)nnc1-c1ccccn1	ZINC000131210097	426164725	/nfs/dbraw/zinc/16/47/25/426164725.db2.gz	SOHTWEVXOBOTPN-UHFFFAOYSA-N	0	3	317.462	2.960	20	30		DFEDHN
Cc1nc2c(s1)[C@@H](N(C)CCC(=O)N(C)CCC#N)CCC2	ZINC000131870827	426167693	/nfs/dbraw/zinc/16/76/93/426167693.db2.gz	KAFRJFJBNVQAPK-AWEZNQCLSA-N	0	3	320.462	2.523	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1	ZINC000133427836	426176936	/nfs/dbraw/zinc/17/69/36/426176936.db2.gz	ZHAUHHHWLJHWSQ-LMMKCTJWSA-N	0	3	311.429	2.721	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1C#N	ZINC000135127245	426206831	/nfs/dbraw/zinc/20/68/31/426206831.db2.gz	AUTOXNHPFMYZTM-QGZVFWFLSA-N	0	3	310.401	2.736	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000078759447	426184607	/nfs/dbraw/zinc/18/46/07/426184607.db2.gz	FSFSLOWYPQXJPV-KSSFIOAISA-N	0	3	305.466	2.943	20	30		DFEDHN
C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)N(C)C1CC1	ZINC000133931548	426185020	/nfs/dbraw/zinc/18/50/20/426185020.db2.gz	XDQAIAMTMXFTRW-RHSMWYFYSA-N	0	3	314.433	2.813	20	30		DFEDHN
CN(CCOc1ccccc1C#N)[C@H]1CCCc2c1cnn2C	ZINC000135570852	426222659	/nfs/dbraw/zinc/22/26/59/426222659.db2.gz	BMQBOYMFRVJXFD-INIZCTEOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C=CCCCN1CCN(Cc2cc(OC)ccc2OC)CC1	ZINC000117870826	426224003	/nfs/dbraw/zinc/22/40/03/426224003.db2.gz	FHAMEUSWVRABCU-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)s1	ZINC000136204225	426237594	/nfs/dbraw/zinc/23/75/94/426237594.db2.gz	VJVQJFISYASWOM-QWHCGFSZSA-N	0	3	322.478	2.591	20	30		DFEDHN
CCCCN(CCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1	ZINC000174853649	426267323	/nfs/dbraw/zinc/26/73/23/426267323.db2.gz	LJXFGJGYLYPUGJ-AWEZNQCLSA-N	0	3	300.468	2.606	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(F)cc2F)CC1	ZINC000087318133	426269976	/nfs/dbraw/zinc/26/99/76/426269976.db2.gz	KWKWJXFHMTVLRE-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000119206560	426270142	/nfs/dbraw/zinc/27/01/42/426270142.db2.gz	ORYSDRHNICCEKQ-UKRRQHHQSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2ccc(C)cc2)CC1	ZINC000171727099	426208022	/nfs/dbraw/zinc/20/80/22/426208022.db2.gz	OLLGKZGPVIXFKM-UHFFFAOYSA-N	0	3	304.459	2.854	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](c3ccccc3)C2)CC1	ZINC000171737806	426208400	/nfs/dbraw/zinc/20/84/00/426208400.db2.gz	NXNJNKQTXLUYHZ-KRWDZBQOSA-N	0	3	313.445	2.836	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3nc(C)oc3c2)CC1	ZINC000171740201	426208915	/nfs/dbraw/zinc/20/89/15/426208915.db2.gz	DUUHBCZKSUGKMM-UHFFFAOYSA-N	0	3	314.389	2.908	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)CCc2ccccc2)CC1	ZINC000171739705	426209204	/nfs/dbraw/zinc/20/92/04/426209204.db2.gz	QAXFOKTUXAAEHP-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(OCC)c2)CC1	ZINC000171739753	426209522	/nfs/dbraw/zinc/20/95/22/426209522.db2.gz	BPSKBQNNRDOEDR-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000171740025	426209626	/nfs/dbraw/zinc/20/96/26/426209626.db2.gz	BHUPBMBNRCGEFI-UHFFFAOYSA-N	0	3	313.323	2.876	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CC1CCOCC1)C(C)C	ZINC000117259588	426210748	/nfs/dbraw/zinc/21/07/48/426210748.db2.gz	ZWDIKPYYUSQEIR-QGZVFWFLSA-N	0	3	308.466	2.618	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000151362405	426291460	/nfs/dbraw/zinc/29/14/60/426291460.db2.gz	NDVVMJBDHYSFGK-OAHLLOKOSA-N	0	3	320.433	2.855	20	30		DFEDHN
CC(C)CO[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1	ZINC000119595070	426299824	/nfs/dbraw/zinc/29/98/24/426299824.db2.gz	VCRYVUAMUBFTDE-MRXNPFEDSA-N	0	3	315.417	2.634	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C12CCC2	ZINC000120993556	426319032	/nfs/dbraw/zinc/31/90/32/426319032.db2.gz	JWOKSUJLYVXFAO-RCCFBDPRSA-N	0	3	314.429	2.871	20	30		DFEDHN
C=CCN(CCOC[C@H]1CCCO1)Cc1ccc(OC)cc1	ZINC000152179261	426331301	/nfs/dbraw/zinc/33/13/01/426331301.db2.gz	IAVCYBGELJRZLY-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(c3ncccc3Cl)C2)c1	ZINC000151262736	426287525	/nfs/dbraw/zinc/28/75/25/426287525.db2.gz	IKUMNSKBJIDQIH-HNNXBMFYSA-N	0	3	312.804	2.975	20	30		DFEDHN
N#Cc1ccc(N2CCN(C3CCCCC3)CC2)c([N+](=O)[O-])c1	ZINC000152432810	426342710	/nfs/dbraw/zinc/34/27/10/426342710.db2.gz	USGCAASVDAWRJK-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2CCCO)cc1OC	ZINC000092785085	426352484	/nfs/dbraw/zinc/35/24/84/426352484.db2.gz	KCWZRGDJXQQNDP-INIZCTEOSA-N	0	3	305.418	2.997	20	30		DFEDHN
N#CC(C(=O)c1cccnc1OCC(F)F)c1ccccn1	ZINC000093244535	426355297	/nfs/dbraw/zinc/35/52/97/426355297.db2.gz	UMPSYLQVNWMWCV-NSHDSACASA-N	0	3	303.268	2.611	20	30		DFEDHN
Cc1ccc([C@H](CNc2cnc(C#N)cn2)N2CCCC2)cc1	ZINC000122955327	426405707	/nfs/dbraw/zinc/40/57/07/426405707.db2.gz	RBHLSFHDSRJSIX-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000176323104	426370698	/nfs/dbraw/zinc/37/06/98/426370698.db2.gz	OCAPVTKPXIDEGW-KRWDZBQOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](SCC)C2)CC1	ZINC000176754990	426411891	/nfs/dbraw/zinc/41/18/91/426411891.db2.gz	YBZWUIUXROUCNS-JKSUJKDBSA-N	0	3	308.491	2.512	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCCC)cc2)CC1	ZINC000123182748	426419157	/nfs/dbraw/zinc/41/91/57/426419157.db2.gz	XCNUGYBFIHLASS-UHFFFAOYSA-N	0	3	300.402	2.759	20	30		DFEDHN
CCN(CCc1ccccc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000154076138	426423868	/nfs/dbraw/zinc/42/38/68/426423868.db2.gz	COYBPRTYDIMUAS-APWZRJJASA-N	0	3	315.461	2.994	20	30		DFEDHN
Cc1ccccc1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123405902	426431619	/nfs/dbraw/zinc/43/16/19/426431619.db2.gz	XGLRVGBEISRVSE-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)ccc(F)c2F)CC1	ZINC000123430262	426433590	/nfs/dbraw/zinc/43/35/90/426433590.db2.gz	YJUJWUUHGNXPTB-UHFFFAOYSA-N	0	3	312.335	2.874	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](NCc2ccc(C#N)cc2)C1	ZINC000154404979	426439249	/nfs/dbraw/zinc/43/92/49/426439249.db2.gz	QYWYCGCRYLPKEX-QGZVFWFLSA-N	0	3	307.397	2.935	20	30		DFEDHN
Cn1c(CCNCc2cccc(C#N)c2)nc2cc(F)ccc21	ZINC000123923033	426461356	/nfs/dbraw/zinc/46/13/56/426461356.db2.gz	CGDUPMCTOVVKAF-UHFFFAOYSA-N	0	3	308.360	2.916	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000155446398	426472707	/nfs/dbraw/zinc/47/27/07/426472707.db2.gz	OENYGQHOQLWILK-QAPCUYQASA-N	0	3	301.434	2.915	20	30		DFEDHN
CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)cc1	ZINC000124166679	426473691	/nfs/dbraw/zinc/47/36/91/426473691.db2.gz	AUJJCLIKZYZRBB-SJLPKXTDSA-N	0	3	317.433	2.790	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000124430797	426483724	/nfs/dbraw/zinc/48/37/24/426483724.db2.gz	OXCZPLLLXXPYOU-LSDHHAIUSA-N	0	3	312.454	2.693	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NCCN(CC)C2CC2)c1	ZINC000102064608	426487779	/nfs/dbraw/zinc/48/77/79/426487779.db2.gz	KSOARWSDMADTAS-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN(CCOC)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1	ZINC000195232801	426508924	/nfs/dbraw/zinc/50/89/24/426508924.db2.gz	BUJNJOBYEBJSIE-KRWDZBQOSA-N	0	3	312.454	2.768	20	30		DFEDHN
Cc1nc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280177645	426513484	/nfs/dbraw/zinc/51/34/84/426513484.db2.gz	CRISCRITRVJLKY-HNNXBMFYSA-N	0	3	324.409	2.630	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNC2(c3ccccc3)CCC2)cc1	ZINC000264230541	426523559	/nfs/dbraw/zinc/52/35/59/426523559.db2.gz	YHBSAVFWAVCHHH-SFHVURJKSA-N	0	3	322.408	2.967	20	30		DFEDHN
C[C@@H](NCCSCc1ccccc1C#N)c1cnn(C)c1	ZINC000177821974	426526344	/nfs/dbraw/zinc/52/63/44/426526344.db2.gz	NZFDZGZYCVCOQG-CYBMUJFWSA-N	0	3	300.431	2.876	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCCc2occc2C1	ZINC000288788528	426531693	/nfs/dbraw/zinc/53/16/93/426531693.db2.gz	KWRTXVLKKDLTTP-UHFFFAOYSA-N	0	3	309.369	2.928	20	30		DFEDHN
Cc1nnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c(C#N)c1C	ZINC000195517605	426532055	/nfs/dbraw/zinc/53/20/55/426532055.db2.gz	MKQTXTMKATVESC-KRWDZBQOSA-N	0	3	321.428	2.899	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(N(C)C)cc2C)CC1	ZINC000264321722	426536082	/nfs/dbraw/zinc/53/60/82/426536082.db2.gz	ANXRVUPNVXEPNP-UHFFFAOYSA-N	0	3	316.449	2.833	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CCN1C	ZINC000177924064	426539344	/nfs/dbraw/zinc/53/93/44/426539344.db2.gz	PBBHOBZKUFDORR-RISCZKNCSA-N	0	3	304.369	2.644	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H](C)CN1CCCCC1	ZINC000272513543	426543961	/nfs/dbraw/zinc/54/39/61/426543961.db2.gz	XXTOKHXLEBDYDM-MRXNPFEDSA-N	0	3	319.449	2.894	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCC[C@@H]1O	ZINC000272514508	426544514	/nfs/dbraw/zinc/54/45/14/426544514.db2.gz	XKIDRLIDPRCJIA-AEFFLSMTSA-N	0	3	324.428	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(OC)c2)CC1	ZINC000264405609	426548439	/nfs/dbraw/zinc/54/84/39/426548439.db2.gz	NIGSBRMGUVANMN-CQSZACIVSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000264415143	426549173	/nfs/dbraw/zinc/54/91/73/426549173.db2.gz	PTZQCTYQJONYBR-AWEZNQCLSA-N	0	3	312.417	2.569	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2cccs2)CC1	ZINC000264431256	426551199	/nfs/dbraw/zinc/55/11/99/426551199.db2.gz	ZNYCLKAFPUSJPR-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccccc2OC)CC1	ZINC000264421286	426551702	/nfs/dbraw/zinc/55/17/02/426551702.db2.gz	WVYREKKOKNJKRB-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@H]1Oc2ccccc2OC1C(=O)N(CC#N)c1ccccc1	ZINC000194662397	426489897	/nfs/dbraw/zinc/48/98/97/426489897.db2.gz	OBLABZVCFVQVRZ-DYVFJYSZSA-N	0	3	308.337	2.772	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCc3c2cccc3Cl)CC1	ZINC000194671125	426490165	/nfs/dbraw/zinc/49/01/65/426490165.db2.gz	KDRMXESGUAJXJV-KRWDZBQOSA-N	0	3	316.832	2.789	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCCc2cccc(Cl)c2)CC1	ZINC000194943981	426497019	/nfs/dbraw/zinc/49/70/19/426497019.db2.gz	JRQBBHHTZRVJTM-UHFFFAOYSA-N	0	3	318.848	2.734	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(CCC(N)=O)Cc1ccccc1	ZINC000186262435	426498750	/nfs/dbraw/zinc/49/87/50/426498750.db2.gz	PILDWTCYIRTSJM-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CCCCCCCS(=O)(=O)N1CCC(N2CCCC2)CC1	ZINC000195108669	426500891	/nfs/dbraw/zinc/50/08/91/426500891.db2.gz	BKCPMVNNLJRDMJ-UHFFFAOYSA-N	0	3	316.511	2.847	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288081486	426505674	/nfs/dbraw/zinc/50/56/74/426505674.db2.gz	FYDYCYKMBUACHI-ACJLOTCBSA-N	0	3	323.396	2.853	20	30		DFEDHN
CC(C)OCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280410690	426570646	/nfs/dbraw/zinc/57/06/46/426570646.db2.gz	LLOFKZLEBFWBFP-KRWDZBQOSA-N	0	3	313.401	2.514	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000280713987	426640557	/nfs/dbraw/zinc/64/05/57/426640557.db2.gz	UJCRHBDPKFSKFT-UHFFFAOYSA-N	0	3	301.390	2.550	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)C#N	ZINC000187324201	426649901	/nfs/dbraw/zinc/64/99/01/426649901.db2.gz	PNIBRWPDOLGSAP-INIZCTEOSA-N	0	3	301.434	2.809	20	30		DFEDHN
C[C@@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000289428243	426653628	/nfs/dbraw/zinc/65/36/28/426653628.db2.gz	KIEKBJQZBKGHPB-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(-c2ccccc2C(=O)OC)o1	ZINC000187379109	426655919	/nfs/dbraw/zinc/65/59/19/426655919.db2.gz	PRYQSUMIYLTJIM-ZDUSSCGKSA-N	0	3	315.369	2.760	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1C#N	ZINC000415311319	269626005	/nfs/dbraw/zinc/62/60/05/269626005.db2.gz	ZSOKTAAYCBWDEV-OLZOCXBDSA-N	0	3	316.405	2.560	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)C#N	ZINC000187411201	426659837	/nfs/dbraw/zinc/65/98/37/426659837.db2.gz	ZBSBKKYSLCQSRL-DOTOQJQBSA-N	0	3	316.449	2.602	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1	ZINC000280861739	426672874	/nfs/dbraw/zinc/67/28/74/426672874.db2.gz	ZGYWUXGQUHYCCU-FRRDWIJNSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CCCCCOc2ccccc2)C1=O	ZINC000281201658	426704827	/nfs/dbraw/zinc/70/48/27/426704827.db2.gz	JBXMKVOEWGUKQY-SFHVURJKSA-N	0	3	316.445	2.954	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc(Br)cc2)C1=O	ZINC000281226489	426707830	/nfs/dbraw/zinc/70/78/30/426707830.db2.gz	OTVNVDQQXNLELS-SMDDNHRTSA-N	0	3	323.234	2.887	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290104586	426694471	/nfs/dbraw/zinc/69/44/71/426694471.db2.gz	IFEWMUGILRFMDN-GFCCVEGCSA-N	0	3	304.369	2.503	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000265840343	426699030	/nfs/dbraw/zinc/69/90/30/426699030.db2.gz	GBCZNEXKUQPRNG-KBAYOESNSA-N	0	3	320.477	2.713	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)[C@@H](C1CC1)N1CCCC1	ZINC000273631727	426699400	/nfs/dbraw/zinc/69/94/00/426699400.db2.gz	QTRKGIHLCZCJFI-QGZVFWFLSA-N	0	3	302.418	2.711	20	30		DFEDHN
C#CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000274191809	426723507	/nfs/dbraw/zinc/72/35/07/426723507.db2.gz	QGJKLGBZCRQBMB-UHFFFAOYSA-N	0	3	301.777	2.638	20	30		DFEDHN
C=CCc1cc(CN2CCN3CCCC[C@H]3C2)cc(OC)c1O	ZINC000245552655	426750590	/nfs/dbraw/zinc/75/05/90/426750590.db2.gz	DLNWWDDQCCOWPF-KRWDZBQOSA-N	0	3	316.445	2.799	20	30		DFEDHN
C#CCCOc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1	ZINC000245691158	426762579	/nfs/dbraw/zinc/76/25/79/426762579.db2.gz	ATCDZXDDVKXYAJ-MSOLQXFVSA-N	0	3	317.454	2.795	20	30		DFEDHN
C[C@H]1CCN(CCC(=O)N(C)CCC#N)[C@@H](c2ccco2)C1	ZINC000245705985	426765123	/nfs/dbraw/zinc/76/51/23/426765123.db2.gz	OFRLVYPWBJCGMS-LSDHHAIUSA-N	0	3	303.406	2.815	20	30		DFEDHN
CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000274626589	426804945	/nfs/dbraw/zinc/80/49/45/426804945.db2.gz	NXJMJXOIOVVKJI-BXUZGUMPSA-N	0	3	305.353	2.579	20	30		DFEDHN
CS[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1N1CCCC1	ZINC000274653620	426811304	/nfs/dbraw/zinc/81/13/04/426811304.db2.gz	HOJIJNZAOCQPRF-UONOGXRCSA-N	0	3	322.865	2.623	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccnc1C#N	ZINC000267162037	426834323	/nfs/dbraw/zinc/83/43/23/426834323.db2.gz	ADQGKKUEQCKOTI-GOEBONIOSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=CCn1c(-c2ccccc2C)nnc1N1CCN2CCC[C@H]2C1	ZINC000282130051	426835140	/nfs/dbraw/zinc/83/51/40/426835140.db2.gz	APCVOPNVXZJXHT-INIZCTEOSA-N	0	3	323.444	2.724	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(SCC#N)c1	ZINC000246492388	426838711	/nfs/dbraw/zinc/83/87/11/426838711.db2.gz	INTJZHAOSBUGMU-ZFWWWQNUSA-N	0	3	315.442	2.611	20	30		DFEDHN
Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000247220939	426918578	/nfs/dbraw/zinc/91/85/78/426918578.db2.gz	XSLKQOAWDYDREE-BRWVUGGUSA-N	0	3	313.445	2.933	20	30		DFEDHN
Cc1nc(NCCCN2CCCO[C@H](C)C2)c(Cl)cc1C#N	ZINC000290876269	426861101	/nfs/dbraw/zinc/86/11/01/426861101.db2.gz	ACUWKRFGJKAFPZ-GFCCVEGCSA-N	0	3	322.840	2.828	20	30		DFEDHN
COc1cc(CN2CCC(c3ccnn3C)CC2)ccc1C#N	ZINC000282242185	426862263	/nfs/dbraw/zinc/86/22/63/426862263.db2.gz	JDMDVMIEVIWISM-UHFFFAOYSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1cc(C(=O)NCCN2CCC3(CCCCC3)CC2)c[nH]1	ZINC000282255416	426865024	/nfs/dbraw/zinc/86/50/24/426865024.db2.gz	HEIOYWDCXMBGLC-UHFFFAOYSA-N	0	3	314.433	2.662	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)Nc1ccccc1CCN(C)C	ZINC000275562493	426870491	/nfs/dbraw/zinc/87/04/91/426870491.db2.gz	BKMODFWGJGHMQN-GOSISDBHSA-N	0	3	304.434	2.958	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1Cc1ccc(OCC#N)cc1	ZINC000267454815	426880619	/nfs/dbraw/zinc/88/06/19/426880619.db2.gz	RQUUUYCMHRKHGK-KRWDZBQOSA-N	0	3	310.401	2.759	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000275620908	426880819	/nfs/dbraw/zinc/88/08/19/426880819.db2.gz	MNVBJFBYLNGHNA-MJGOQNOKSA-N	0	3	316.445	2.606	20	30		DFEDHN
CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000267529521	426884132	/nfs/dbraw/zinc/88/41/32/426884132.db2.gz	PSWLRDTZUQTBAY-IAGOWNOFSA-N	0	3	313.445	2.953	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)c(OC)c1	ZINC000282441439	426912983	/nfs/dbraw/zinc/91/29/83/426912983.db2.gz	UNUQHAWHXHRHGE-YJBOKZPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000181535257	426962341	/nfs/dbraw/zinc/96/23/41/426962341.db2.gz	HFYLQKORMGNDTI-ZDUSSCGKSA-N	0	3	309.369	2.943	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000323958608	426975496	/nfs/dbraw/zinc/97/54/96/426975496.db2.gz	ZDYAHSIVRPWASS-VQIMIIECSA-N	0	3	313.445	2.907	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C)cc2SC)CC1	ZINC000268287671	426979105	/nfs/dbraw/zinc/97/91/05/426979105.db2.gz	XZHBQDVOMBFALJ-UHFFFAOYSA-N	0	3	316.470	2.678	20	30		DFEDHN
COc1ccccc1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2	ZINC000328686115	426988440	/nfs/dbraw/zinc/98/84/40/426988440.db2.gz	GCLQYNAHYUGCOE-CQSZACIVSA-N	0	3	317.389	2.914	20	30		DFEDHN
COc1ccccc1NC(=O)CN[C@H]1CCC(=O)NC12CCC2	ZINC000328686114	426988906	/nfs/dbraw/zinc/98/89/06/426988906.db2.gz	GCLQYNAHYUGCOE-AWEZNQCLSA-N	0	3	317.389	2.914	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1	ZINC000247466971	426940431	/nfs/dbraw/zinc/94/04/31/426940431.db2.gz	RHNLRWTZCAYSTL-ZBFHGGJFSA-N	0	3	300.402	2.560	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21	ZINC000329180300	427060159	/nfs/dbraw/zinc/06/01/59/427060159.db2.gz	DIXSNMGIDSLBSP-UONOGXRCSA-N	0	3	304.438	2.671	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NC1CCCC1	ZINC000328774271	426995492	/nfs/dbraw/zinc/99/54/92/426995492.db2.gz	BUCMRHUWMSLEHJ-CVEARBPZSA-N	0	3	321.465	2.751	20	30		DFEDHN
Cc1ncsc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1	ZINC000328779177	426996342	/nfs/dbraw/zinc/99/63/42/426996342.db2.gz	LZYRUAWLEFYJLN-GFCCVEGCSA-N	0	3	324.450	2.587	20	30		DFEDHN
CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1ccccc1	ZINC000328801267	426998968	/nfs/dbraw/zinc/99/89/68/426998968.db2.gz	ABFZZSDKIZLWGO-YCPHGPKFSA-N	0	3	301.390	2.755	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000328865935	427007230	/nfs/dbraw/zinc/00/72/30/427007230.db2.gz	NNNCYXJUEUZGAY-HZSPNIEDSA-N	0	3	304.438	2.592	20	30		DFEDHN
O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1F	ZINC000328903457	427009221	/nfs/dbraw/zinc/00/92/21/427009221.db2.gz	HXLWWOHRFHPFOG-CZUORRHYSA-N	0	3	305.353	2.901	20	30		DFEDHN
CC(C)n1ncnc1CNC(=O)[C@H]1CCCN1C1CCCC1	ZINC000328991680	427021120	/nfs/dbraw/zinc/02/11/20/427021120.db2.gz	IMYJOSUYGQQLIJ-CQSZACIVSA-N	0	3	305.426	2.723	20	30		DFEDHN
CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCO1	ZINC000248626188	427024999	/nfs/dbraw/zinc/02/49/99/427024999.db2.gz	UYYQWVKJXRBYMT-UGFHNGPFSA-N	0	3	319.405	2.642	20	30		DFEDHN
CCn1cc([C@H](C)NCCOc2ccc(C#N)cc2OC)cn1	ZINC000295992622	427039518	/nfs/dbraw/zinc/03/95/18/427039518.db2.gz	JZFLPWXTVOXNRI-ZDUSSCGKSA-N	0	3	314.389	2.513	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2ccc3ccccc3n2)CC1	ZINC000268539674	427047342	/nfs/dbraw/zinc/04/73/42/427047342.db2.gz	KSBHJXOUONLKHO-QGZVFWFLSA-N	0	3	311.429	2.684	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C	ZINC000296063925	427064684	/nfs/dbraw/zinc/06/46/84/427064684.db2.gz	GGMUKVOTSKNCNC-QWHCGFSZSA-N	0	3	321.446	2.740	20	30		DFEDHN
CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C2=CCN(C)CC2)C1	ZINC000329505668	427128467	/nfs/dbraw/zinc/12/84/67/427128467.db2.gz	LJGRRLPLAFLNGW-HOCLYGCPSA-N	0	3	321.465	2.632	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1	ZINC000329242262	427071688	/nfs/dbraw/zinc/07/16/88/427071688.db2.gz	OFIXURRPHCIJIX-GDBMZVCRSA-N	0	3	319.453	2.583	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)C1=CCN(C)CC1	ZINC000329281380	427082092	/nfs/dbraw/zinc/08/20/92/427082092.db2.gz	DYNMYHYBWBHJJQ-NWANDNLSSA-N	0	3	322.453	2.625	20	30		DFEDHN
COCCN1CC[C@H](NC(=O)NCC2(C)CCCCCC2)C1	ZINC000329305834	427086428	/nfs/dbraw/zinc/08/64/28/427086428.db2.gz	XRMCDEARNMLXEG-HNNXBMFYSA-N	0	3	311.470	2.571	20	30		DFEDHN
C#CCN1CCC2(C[C@H]2N(Cc2ccsc2)C(C)=O)CC1	ZINC000276519746	427089204	/nfs/dbraw/zinc/08/92/04/427089204.db2.gz	QLPJAZKBJWFKRJ-MRXNPFEDSA-N	0	3	302.443	2.584	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329502722	427129063	/nfs/dbraw/zinc/12/90/63/427129063.db2.gz	KUWZHGPLXXINFR-GOEBONIOSA-N	0	3	321.465	2.775	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000329329730	427091926	/nfs/dbraw/zinc/09/19/26/427091926.db2.gz	VIPZQYGRDQYJMC-GOEBONIOSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1=CCN(C)CC1	ZINC000329361503	427099641	/nfs/dbraw/zinc/09/96/41/427099641.db2.gz	YQJCQWQAVKBSAI-CYBMUJFWSA-N	0	3	316.401	2.607	20	30		DFEDHN
COc1ccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292131852	427100579	/nfs/dbraw/zinc/10/05/79/427100579.db2.gz	ITRQJXNTDQVQQY-GOSISDBHSA-N	0	3	323.396	2.658	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000249261436	427102631	/nfs/dbraw/zinc/10/26/31/427102631.db2.gz	HWTLFUZHMWSKSN-WMZOPIPTSA-N	0	3	323.440	2.533	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@H](C)C1	ZINC000190465385	427114471	/nfs/dbraw/zinc/11/44/71/427114471.db2.gz	NISRPCHMIUABIH-WBVHZDCISA-N	0	3	321.486	2.840	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN([C@H]3C[C@H]3c3ccccc3)C2)nc1	ZINC000292160980	427115204	/nfs/dbraw/zinc/11/52/04/427115204.db2.gz	KYIXVKPURGZDQC-SQNIBIBYSA-N	0	3	305.381	2.962	20	30		DFEDHN
COc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292189794	427123306	/nfs/dbraw/zinc/12/33/06/427123306.db2.gz	NALDZMYZCCFVSU-QGZVFWFLSA-N	0	3	309.369	2.615	20	30		DFEDHN
Cc1nc2c(n1[C@@H]1CCN(Cc3cc(C#N)n(C)c3)C1)CCCC2	ZINC000276802363	427124263	/nfs/dbraw/zinc/12/42/63/427124263.db2.gz	VUMUYZKMBQIXHU-MRXNPFEDSA-N	0	3	323.444	2.728	20	30		DFEDHN
C#CCCCC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1	ZINC000277271954	427145262	/nfs/dbraw/zinc/14/52/62/427145262.db2.gz	HKAIXDDAKWQNIS-GOSISDBHSA-N	0	3	313.445	2.698	20	30		DFEDHN
CCNC(=O)N1CC[C@H](N[C@@H]2CCC(=O)Nc3ccccc32)C1	ZINC000329584308	427146643	/nfs/dbraw/zinc/14/66/43/427146643.db2.gz	LXFFDYHDUNKJHD-SWLSCSKDSA-N	0	3	316.405	2.707	20	30		DFEDHN
C#CCCCC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1	ZINC000277271956	427146751	/nfs/dbraw/zinc/14/67/51/427146751.db2.gz	HKAIXDDAKWQNIS-SFHVURJKSA-N	0	3	313.445	2.698	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000249849327	427150658	/nfs/dbraw/zinc/15/06/58/427150658.db2.gz	PDTWKBGHGRIHHP-ZIFCJYIRSA-N	0	3	316.445	2.777	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000277283686	427151900	/nfs/dbraw/zinc/15/19/00/427151900.db2.gz	CLINTUPEJPTGTR-LJQANCHMSA-N	0	3	310.441	2.631	20	30		DFEDHN
C=CCN1CCC(N[C@@H](COC)c2ccc(F)c(F)c2)CC1	ZINC000182868881	427158577	/nfs/dbraw/zinc/15/85/77/427158577.db2.gz	MCWXFDYBGVJYHN-KRWDZBQOSA-N	0	3	310.388	2.892	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000162332908	271082771	/nfs/dbraw/zinc/08/27/71/271082771.db2.gz	WTGVWGGEUDCEDJ-GOSISDBHSA-N	0	3	321.424	2.769	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN(C2CCC2)C1	ZINC000292293468	427162199	/nfs/dbraw/zinc/16/21/99/427162199.db2.gz	HNXXPZPAQYVPBM-ZNFPLGDCSA-N	0	3	323.440	2.904	20	30		DFEDHN
Cn1cc(CN[C@H](CN2CCCC2)c2ccccc2)cc1C#N	ZINC000190719981	427165392	/nfs/dbraw/zinc/16/53/92/427165392.db2.gz	DHZUCDJKGMBUBP-LJQANCHMSA-N	0	3	308.429	2.823	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2ncc(Br)cc2C#N)CCN1C	ZINC000296994902	271354422	/nfs/dbraw/zinc/35/44/22/271354422.db2.gz	FNTYKTJNVUJNDG-GWCFXTLKSA-N	0	3	323.238	2.635	20	30		DFEDHN
CN(CCCNCc1ccc(C#N)cc1F)CC(F)(F)F	ZINC000269390807	427183280	/nfs/dbraw/zinc/18/32/80/427183280.db2.gz	CNLSSFMOMLIABP-UHFFFAOYSA-N	0	3	303.303	2.671	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1F	ZINC000269419464	427192459	/nfs/dbraw/zinc/19/24/59/427192459.db2.gz	LFVYEUFNRCBDQV-GOSISDBHSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN1CCC[C@@]2(CCN(c3nc4c(cc3C#N)CCCC4)C2)C1	ZINC000292637609	427195609	/nfs/dbraw/zinc/19/56/09/427195609.db2.gz	APJUQJSSLLMQJL-LJQANCHMSA-N	0	3	310.445	2.754	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@@]3(C2)CCCN(C)C3)c1C#N	ZINC000292850621	427200439	/nfs/dbraw/zinc/20/04/39/427200439.db2.gz	RJBGJCOZOYKZMV-INIZCTEOSA-N	0	3	304.825	2.837	20	30		DFEDHN
C#CCOc1ccccc1CNCCOCC(F)(F)C(F)F	ZINC000277432371	427201626	/nfs/dbraw/zinc/20/16/26/427201626.db2.gz	CKXBPYCBTXAUCV-UHFFFAOYSA-N	0	3	319.298	2.705	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N[C@H]3C[C@H](C)N(C4CC4)C3)c2c1	ZINC000330183330	427202144	/nfs/dbraw/zinc/20/21/44/427202144.db2.gz	PVXPIHAPKGYPTE-ZFWWWQNUSA-N	0	3	306.413	2.874	20	30		DFEDHN
C#CCCCC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1	ZINC000277449697	427206214	/nfs/dbraw/zinc/20/62/14/427206214.db2.gz	XKVQYKQCBGNGIO-GOSISDBHSA-N	0	3	314.429	2.752	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@H](C(C)C)C1(CO)CCC1	ZINC000293145306	427224965	/nfs/dbraw/zinc/22/49/65/427224965.db2.gz	TYEHUPPMAMIBEL-QGZVFWFLSA-N	0	3	302.418	2.844	20	30		DFEDHN
Cc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)C1	ZINC000330397764	427227963	/nfs/dbraw/zinc/22/79/63/427227963.db2.gz	CARIYKGKPCPHJG-LSDHHAIUSA-N	0	3	317.433	2.611	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)[nH]1	ZINC000269645099	427238990	/nfs/dbraw/zinc/23/89/90/427238990.db2.gz	TWNKNMWMWXEYBQ-OAHLLOKOSA-N	0	3	314.820	2.998	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)NCCN2CCCCC2)CCO1	ZINC000330671669	427286763	/nfs/dbraw/zinc/28/67/63/427286763.db2.gz	FNEFFBMKIFKMLN-HZPDHXFCSA-N	0	3	311.470	2.570	20	30		DFEDHN
CCc1c(C(=O)NC[C@H]2CCCN2CC)cnn1C(C)(C)C	ZINC000330518705	427257299	/nfs/dbraw/zinc/25/72/99/427257299.db2.gz	JPQMOUDAAAMXOZ-CYBMUJFWSA-N	0	3	306.454	2.989	20	30		DFEDHN
C[C@H](N[C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000277642767	427269631	/nfs/dbraw/zinc/26/96/31/427269631.db2.gz	DBVJMKVMVKFNLU-JRPNMDOOSA-N	0	3	321.808	2.553	20	30		DFEDHN
COCC[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000338348953	427269931	/nfs/dbraw/zinc/26/99/31/427269931.db2.gz	MTPXBUWBIYBWHX-OAHLLOKOSA-N	0	3	303.406	2.538	20	30		DFEDHN
C[C@@H](C1CCCCC1)N(C)CC(=O)N(CCC#N)CCC#N	ZINC000338345395	427269952	/nfs/dbraw/zinc/26/99/52/427269952.db2.gz	IWQBTQICJLLZIP-HNNXBMFYSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)n([C@H](C)CC)n2)CC1	ZINC000330744639	427300024	/nfs/dbraw/zinc/30/00/24/427300024.db2.gz	RYMPFIDGIBHULY-CQSZACIVSA-N	0	3	318.465	2.933	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C1=CCN(C)CC1	ZINC000330778051	427302759	/nfs/dbraw/zinc/30/27/59/427302759.db2.gz	UZJIVSFVVVTNPT-JTQLQIEISA-N	0	3	307.325	2.689	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)Nc1ccc(C#N)cc1	ZINC000285654980	427303019	/nfs/dbraw/zinc/30/30/19/427303019.db2.gz	LVMFVYXCIBJPEE-UHFFFAOYSA-N	0	3	300.406	2.898	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CCCC#N)[C@@H]1c1cccs1	ZINC000330878855	427311790	/nfs/dbraw/zinc/31/17/90/427311790.db2.gz	AOMNLAFQENVIPR-XJKSGUPXSA-N	0	3	305.447	2.941	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(N)=O)cc2F)CCN1C	ZINC000331040577	427329719	/nfs/dbraw/zinc/32/97/19/427329719.db2.gz	CGFNSUJLRNGODI-PWSUYJOCSA-N	0	3	322.384	2.669	20	30		DFEDHN
C#CC[C@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1	ZINC000270376964	427338768	/nfs/dbraw/zinc/33/87/68/427338768.db2.gz	FFMQQUPDFJOTGS-SFHVURJKSA-N	0	3	311.429	2.701	20	30		DFEDHN
Cn1cc(CN2CC[C@@H](COCc3ccccc3)C2)cc1C#N	ZINC000191405029	427340969	/nfs/dbraw/zinc/34/09/69/427340969.db2.gz	OJPOLNAWLSJVFW-QGZVFWFLSA-N	0	3	309.413	2.935	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H](C)Cc2cccc(OC)c2)C1	ZINC000330699770	427296693	/nfs/dbraw/zinc/29/66/93/427296693.db2.gz	GMNGTLZQFVLGNJ-ZBFHGGJFSA-N	0	3	319.449	2.614	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NCCN1CCC[C@@H](C)C1	ZINC000331208850	427369620	/nfs/dbraw/zinc/36/96/20/427369620.db2.gz	GGGOIGXROMYEFQ-CYBMUJFWSA-N	0	3	305.422	2.825	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000285937289	427378233	/nfs/dbraw/zinc/37/82/33/427378233.db2.gz	FNGYBWYVHNDIPY-AWEZNQCLSA-N	0	3	309.417	2.611	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)cc1	ZINC000184054032	427381418	/nfs/dbraw/zinc/38/14/18/427381418.db2.gz	WWPAXUPSSWRLMF-KXBFYZLASA-N	0	3	319.408	2.809	20	30		DFEDHN
COc1ccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1	ZINC000331309809	427397062	/nfs/dbraw/zinc/39/70/62/427397062.db2.gz	GJMKOLVHDCMCOU-INIZCTEOSA-N	0	3	319.449	2.819	20	30		DFEDHN
Cc1cc(Cl)cc(C(=O)N[C@H](CO)CN2CCCCC2)c1	ZINC000331359637	427401939	/nfs/dbraw/zinc/40/19/39/427401939.db2.gz	WUELALLSQGHKCD-HNNXBMFYSA-N	0	3	310.825	2.800	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000297361475	427402073	/nfs/dbraw/zinc/40/20/73/427402073.db2.gz	VGOSCKJAPOBYOL-OAHLLOKOSA-N	0	3	319.474	2.625	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1	ZINC000270497595	427360320	/nfs/dbraw/zinc/36/03/20/427360320.db2.gz	YIFWTLKRHFEDIW-HFTRVMKXSA-N	0	3	311.429	2.675	20	30		DFEDHN
Cc1c(Cl)cnc(N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N	ZINC000286255745	427468989	/nfs/dbraw/zinc/46/89/89/427468989.db2.gz	GGXUFOPSNGBURE-DGCLKSJQSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@H]2CCC[C@H]2CCO)c1	ZINC000286296444	427485385	/nfs/dbraw/zinc/48/53/85/427485385.db2.gz	VIHITWFRVQECDH-WFASDCNBSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN2CCC[C@@H]2C1	ZINC000338784964	427486610	/nfs/dbraw/zinc/48/66/10/427486610.db2.gz	ANLKDTZJCHGMOC-OAHLLOKOSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](C)C[S@](C)=O)ccc1OC	ZINC000184266923	427426128	/nfs/dbraw/zinc/42/61/28/427426128.db2.gz	UFCSQVFWFCIMIV-ZSEKCTLFSA-N	0	3	311.447	2.507	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN2CCCN(C=O)CC2)cc1	ZINC000298046940	427509969	/nfs/dbraw/zinc/50/99/69/427509969.db2.gz	DTDGTPUIZRDELM-UHFFFAOYSA-N	0	3	319.408	2.889	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1	ZINC000338849931	427521179	/nfs/dbraw/zinc/52/11/79/427521179.db2.gz	YQEZEBOJYNEEBU-UHFFFAOYSA-N	0	3	303.454	2.510	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(CC2CC2)CC1	ZINC000338863897	427527134	/nfs/dbraw/zinc/52/71/34/427527134.db2.gz	DOYYIGHBUIRBGE-UHFFFAOYSA-N	0	3	317.481	2.585	20	30		DFEDHN
C[C@@H]1CN(CC2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000263688749	427542633	/nfs/dbraw/zinc/54/26/33/427542633.db2.gz	BXECFFPPMKZYHT-HZPDHXFCSA-N	0	3	313.445	2.884	20	30		DFEDHN
CCOC1(C)CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000298249274	427547865	/nfs/dbraw/zinc/54/78/65/427547865.db2.gz	KFRJNULFRRRXDX-UHFFFAOYSA-N	0	3	318.417	2.837	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2C)C1	ZINC000263719409	427549719	/nfs/dbraw/zinc/54/97/19/427549719.db2.gz	OIZPUJZUXDYRDZ-NVXWUHKLSA-N	0	3	313.445	2.793	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2C)C1	ZINC000263719412	427550133	/nfs/dbraw/zinc/55/01/33/427550133.db2.gz	OIZPUJZUXDYRDZ-RDJZCZTQSA-N	0	3	313.445	2.793	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC[C@H](C)C1	ZINC000278890080	427489585	/nfs/dbraw/zinc/48/95/85/427489585.db2.gz	OQQCUYNKVOZYDV-STQMWFEESA-N	0	3	303.381	2.548	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSCC[C@@H]1C	ZINC000279169461	427584253	/nfs/dbraw/zinc/58/42/53/427584253.db2.gz	BUPPUDKACSSVCW-ZDUSSCGKSA-N	0	3	306.431	2.773	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCO)c(Br)c1	ZINC000279219760	427601382	/nfs/dbraw/zinc/60/13/82/427601382.db2.gz	HVYHFCLQJZHJSG-SWLSCSKDSA-N	0	3	323.234	2.961	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)CC3CCCC3)CC2)C1	ZINC000333031967	427628219	/nfs/dbraw/zinc/62/82/19/427628219.db2.gz	PNVFWODWYUEFNX-DOTOQJQBSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCCC3(CCCC3)C2)c1	ZINC000333612428	427659993	/nfs/dbraw/zinc/65/99/93/427659993.db2.gz	GZHNZLZEHJJWGD-UHFFFAOYSA-N	0	3	311.429	2.831	20	30		DFEDHN
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCOCCC#N	ZINC000339084684	427670367	/nfs/dbraw/zinc/67/03/67/427670367.db2.gz	MKFJVIHJCNMZGT-JTQLQIEISA-N	0	3	318.343	2.643	20	30		DFEDHN
C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCN(C2CC2)C1	ZINC000294931533	427667342	/nfs/dbraw/zinc/66/73/42/427667342.db2.gz	KPSMHKGCDBDDLZ-LLVKDONJSA-N	0	3	324.350	2.893	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000343649537	272194131	/nfs/dbraw/zinc/19/41/31/272194131.db2.gz	YWMLXNOGZONTIG-KRWDZBQOSA-N	0	3	311.429	2.580	20	30		DFEDHN
C=CCOCCN(C)C[C@@H]1C[C@@H](F)CN1Cc1cccs1	ZINC000339110973	427678986	/nfs/dbraw/zinc/67/89/86/427678986.db2.gz	WWRNFDWRLCBTFI-CABCVRRESA-N	0	3	312.454	2.795	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000344718018	272360105	/nfs/dbraw/zinc/36/01/05/272360105.db2.gz	CVVBSQXYWABCOH-CQSZACIVSA-N	0	3	311.429	2.813	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@@H]1c1ccccc1)[C@@H]1CC[C@H](C#N)C1	ZINC000339190776	427722675	/nfs/dbraw/zinc/72/26/75/427722675.db2.gz	PZBNXHHOBUZTMH-WZGPROSRSA-N	0	3	313.445	2.682	20	30		DFEDHN
C=CCOCCN1C[C@@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1	ZINC000339124333	427688223	/nfs/dbraw/zinc/68/82/23/427688223.db2.gz	VHQOIQHUJPVLNN-YJBOKZPZSA-N	0	3	317.433	2.578	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1	ZINC000287924937	427717597	/nfs/dbraw/zinc/71/75/97/427717597.db2.gz	QNOJPZWKLXXACK-PBHICJAKSA-N	0	3	307.401	2.732	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN(C)CCCCc1ccccc1	ZINC000339320016	427754735	/nfs/dbraw/zinc/75/47/35/427754735.db2.gz	UAULUTISQDXDGH-QGZVFWFLSA-N	0	3	315.461	2.949	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1	ZINC000299143627	427755387	/nfs/dbraw/zinc/75/53/87/427755387.db2.gz	JTNRZXVVZCXTSU-IBGZPJMESA-N	0	3	310.441	2.908	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)CC1CCS(=O)(=O)CC1	ZINC000336853925	427760239	/nfs/dbraw/zinc/76/02/39/427760239.db2.gz	CKRNGSHLNYFNPV-UHFFFAOYSA-N	0	3	320.458	2.593	20	30		DFEDHN
C=CCSCCNC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000299354009	427766146	/nfs/dbraw/zinc/76/61/46/427766146.db2.gz	QUVOQCCPDKMYIJ-UHFFFAOYSA-N	0	3	318.486	2.934	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]2c2ccccc2)cc1	ZINC000336878102	427770558	/nfs/dbraw/zinc/77/05/58/427770558.db2.gz	BHGNCJPAMAXYEW-UYAOXDASSA-N	0	3	322.408	2.939	20	30		DFEDHN
CN(C)[C@@H](CNc1nc2ccccn2c1C#N)Cc1ccccc1	ZINC000301156469	427779447	/nfs/dbraw/zinc/77/94/47/427779447.db2.gz	NMWGRVDTPBDWRH-MRXNPFEDSA-N	0	3	319.412	2.791	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CCCC(F)(F)C2)CC1	ZINC000336954318	427780101	/nfs/dbraw/zinc/78/01/01/427780101.db2.gz	TUYKIWYHMPPEQT-ZDUSSCGKSA-N	0	3	315.408	2.762	20	30		DFEDHN
CN1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1	ZINC000301279715	427787085	/nfs/dbraw/zinc/78/70/85/427787085.db2.gz	NNMYHJRZHVUENR-UHFFFAOYSA-N	0	3	300.793	2.902	20	30		DFEDHN
COC1CCN(CCNc2c(C#N)cnc3ccccc32)CC1	ZINC000301540471	427803884	/nfs/dbraw/zinc/80/38/84/427803884.db2.gz	NFSAFNMWRURIAX-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2CCCc3cc(OC)ccc32)C1=O	ZINC000337140199	427804262	/nfs/dbraw/zinc/80/42/62/427804262.db2.gz	QUENXWXMRGPTCR-ROUUACIJSA-N	0	3	314.429	2.791	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H](OCC)C23CCCCC3)C1=O	ZINC000337188548	427812129	/nfs/dbraw/zinc/81/21/29/427812129.db2.gz	QHZTXHYKOHDPEE-GVDBMIGSSA-N	0	3	320.477	2.833	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000337231277	427818887	/nfs/dbraw/zinc/81/88/87/427818887.db2.gz	XARCTGBCIVXZKS-AEFFLSMTSA-N	0	3	313.445	2.702	20	30		DFEDHN
OC[C@@]1([C@H](NCC#Cc2cccc(Cl)c2)C2CC2)CCCO1	ZINC000339762311	427823926	/nfs/dbraw/zinc/82/39/26/427823926.db2.gz	UXHBJQQLSZFRIK-QZTJIDSGSA-N	0	3	319.832	2.601	20	30		DFEDHN
OC[C@]1([C@@H](NCC#Cc2ccc(Cl)cc2)C2CC2)CCCO1	ZINC000339766164	427824690	/nfs/dbraw/zinc/82/46/90/427824690.db2.gz	GMFKOXQIDPOXEL-ROUUACIJSA-N	0	3	319.832	2.601	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCCC[C@H]2OCCC(C)C)C1=O	ZINC000337254505	427824957	/nfs/dbraw/zinc/82/49/57/427824957.db2.gz	SKHWYRGVORCWRD-IXDOHACOSA-N	0	3	308.466	2.737	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1ncccc1C#N	ZINC000301933158	427845195	/nfs/dbraw/zinc/84/51/95/427845195.db2.gz	PPUILMJNDQYIKJ-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
COc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cc(C)n1	ZINC000337335034	427850884	/nfs/dbraw/zinc/85/08/84/427850884.db2.gz	CBMDLSLQIAHAMR-CYBMUJFWSA-N	0	3	320.352	2.775	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	ZINC000337338945	427852837	/nfs/dbraw/zinc/85/28/37/427852837.db2.gz	QXPKWOHEBLEYEM-LLVKDONJSA-N	0	3	311.307	2.514	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000337360334	427863504	/nfs/dbraw/zinc/86/35/04/427863504.db2.gz	GWUIBVPLRQXQRW-MNOVXSKESA-N	0	3	301.321	2.833	20	30		DFEDHN
CC(C)(C)N1C[C@H](C(F)(F)F)[C@H](C(=O)NCCCCC#N)C1	ZINC000339937004	427878677	/nfs/dbraw/zinc/87/86/77/427878677.db2.gz	AEGOLYDUZRVXHW-NEPJUHHUSA-N	0	3	319.371	2.705	20	30		DFEDHN
CC[C@H]1C[C@]1(NCCC(=O)N(C)CCC#N)c1cccc(C)c1	ZINC000337419275	427896401	/nfs/dbraw/zinc/89/64/01/427896401.db2.gz	QFJZRUKAMUFESK-QFBILLFUSA-N	0	3	313.445	2.972	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000303054574	427896412	/nfs/dbraw/zinc/89/64/12/427896412.db2.gz	ZBECYAJUCBTSEV-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
C=CCCC1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1	ZINC000355796676	427899666	/nfs/dbraw/zinc/89/96/66/427899666.db2.gz	RNMPQEZAAOWJFG-UHFFFAOYSA-N	0	3	308.466	2.738	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2OC(F)F)cc1	ZINC000337432671	427900710	/nfs/dbraw/zinc/90/07/10/427900710.db2.gz	VPNVXCRMRBXENU-KGLIPLIRSA-N	0	3	323.343	2.637	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@H](Nc3ccccc3)C2)cc1	ZINC000305089340	427955354	/nfs/dbraw/zinc/95/53/54/427955354.db2.gz	WCJFMNQYDNLWIJ-RBUKOAKNSA-N	0	3	307.397	2.778	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCOc2c(Br)cccc21	ZINC000337571554	427963972	/nfs/dbraw/zinc/96/39/72/427963972.db2.gz	ZJDYGXITUNNLKJ-KWQFWETISA-N	0	3	309.163	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C(F)(F)F)C(C)C	ZINC000350734894	427969101	/nfs/dbraw/zinc/96/91/01/427969101.db2.gz	CHIZXXAUFMFZDU-QWHCGFSZSA-N	0	3	321.387	2.935	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)c1cc(C(F)(F)F)cnc1C#N	ZINC000413179362	427983159	/nfs/dbraw/zinc/98/31/59/427983159.db2.gz	ILFZMUFTUDNYCW-LBPRGKRZSA-N	0	3	312.339	2.893	20	30		DFEDHN
C=C(CNC(=O)N[C@H](C)CN1CCCCC1)c1ccccc1	ZINC000350490227	427941950	/nfs/dbraw/zinc/94/19/50/427941950.db2.gz	ZGYHGGIBCRUXBV-MRXNPFEDSA-N	0	3	301.434	2.873	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@H]2NCc2cc(C#N)cs2)cn1	ZINC000340176169	427945855	/nfs/dbraw/zinc/94/58/55/427945855.db2.gz	BBXXLNVCKAYWBQ-HZPDHXFCSA-N	0	3	316.430	2.846	20	30		DFEDHN
COc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000341222881	428021046	/nfs/dbraw/zinc/02/10/46/428021046.db2.gz	SZUMEYKYPDXSGB-IYOUNJFTSA-N	0	3	317.433	2.789	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000413349377	428026626	/nfs/dbraw/zinc/02/66/26/428026626.db2.gz	GMPHHUSZWKCGHU-ZWUHOBOKSA-N	0	3	303.381	2.768	20	30		DFEDHN
C[C@H](C(=O)N[C@H](C#N)c1ccccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000413349375	428026863	/nfs/dbraw/zinc/02/68/63/428026863.db2.gz	GMPHHUSZWKCGHU-OQMKEHIESA-N	0	3	303.381	2.768	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(OC)ccc1Br	ZINC000341293715	428033959	/nfs/dbraw/zinc/03/39/59/428033959.db2.gz	IEIANUWKVOGUNW-LLVKDONJSA-N	0	3	314.223	2.732	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(C)nn(-c2ccc(F)cc2)c1C	ZINC000341279299	428034272	/nfs/dbraw/zinc/03/42/72/428034272.db2.gz	BTRSEHOZBPZBRQ-HNNXBMFYSA-N	0	3	317.408	2.902	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@H]3OCC[C@H]3C2)c1	ZINC000369683426	428034922	/nfs/dbraw/zinc/03/49/22/428034922.db2.gz	LJUOWADQFGWFPB-FUHWJXTLSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369705611	428039529	/nfs/dbraw/zinc/03/95/29/428039529.db2.gz	ZOPYJXDWRRSVRW-QZTJIDSGSA-N	0	3	323.396	2.807	20	30		DFEDHN
C=C(CC)CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000341364773	428046310	/nfs/dbraw/zinc/04/63/10/428046310.db2.gz	JRDTVLWTACQTOB-CQSZACIVSA-N	0	3	302.418	2.961	20	30		DFEDHN
CC[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)cc1	ZINC000377076920	428052413	/nfs/dbraw/zinc/05/24/13/428052413.db2.gz	IQEBFVDEQMLPAD-QYZOEREBSA-N	0	3	313.445	2.852	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000359869291	428053864	/nfs/dbraw/zinc/05/38/64/428053864.db2.gz	KZZVROGWTCVRPR-ZBFHGGJFSA-N	0	3	320.408	2.752	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000341390693	428059348	/nfs/dbraw/zinc/05/93/48/428059348.db2.gz	VEMPWSHMRVRIRT-GOSISDBHSA-N	0	3	306.413	3.511	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000346062594	428007770	/nfs/dbraw/zinc/00/77/70/428007770.db2.gz	FUBHRVUBBIFGGR-RHSMWYFYSA-N	0	3	319.424	2.705	20	30		DFEDHN
Cc1cc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413282946	428012358	/nfs/dbraw/zinc/01/23/58/428012358.db2.gz	RBNYAAWQNQAHLI-ZFWWWQNUSA-N	0	3	314.389	2.838	20	30		DFEDHN
C[C@H]1CN(C2CCOCC2)CCN1CCCCC(C)(C)C#N	ZINC000369621713	428019257	/nfs/dbraw/zinc/01/92/57/428019257.db2.gz	JPRLNIXOXJVTMM-INIZCTEOSA-N	0	3	307.482	2.892	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)s1	ZINC000346105918	428020657	/nfs/dbraw/zinc/02/06/57/428020657.db2.gz	NSTUITDKOZFZGG-ZDUSSCGKSA-N	0	3	303.431	2.614	20	30		DFEDHN
CN(C)CCOC1CCN(c2c(Cl)cccc2C#N)CC1	ZINC000356229927	428079677	/nfs/dbraw/zinc/07/96/77/428079677.db2.gz	XPSGYHFAMQTQIA-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000356258026	428092564	/nfs/dbraw/zinc/09/25/64/428092564.db2.gz	LNODIGITAUCVIA-SJLPKXTDSA-N	0	3	316.445	2.546	20	30		DFEDHN
CC1CCN(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000377283400	428099803	/nfs/dbraw/zinc/09/98/03/428099803.db2.gz	POOIGHSPOGIFTN-UHFFFAOYSA-N	0	3	323.440	2.906	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)CCCC#N)N1CCc2ccccc2C1	ZINC000359984125	428102628	/nfs/dbraw/zinc/10/26/28/428102628.db2.gz	KQICCQXFZCMDJG-GOSISDBHSA-N	0	3	313.445	2.879	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1	ZINC000356306467	428117753	/nfs/dbraw/zinc/11/77/53/428117753.db2.gz	LJHLTOPKMPBSLO-NVXWUHKLSA-N	0	3	314.429	2.950	20	30		DFEDHN
C#CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000370132101	428141456	/nfs/dbraw/zinc/14/14/56/428141456.db2.gz	VGRFTNVYEJEDDK-WMZOPIPTSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C	ZINC000413830758	428144061	/nfs/dbraw/zinc/14/40/61/428144061.db2.gz	YDKNDXZTSZIRBM-AEFFLSMTSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(CC)C1	ZINC000413843927	428152663	/nfs/dbraw/zinc/15/26/63/428152663.db2.gz	QKOHFTYZWIVJLC-HNNXBMFYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CC)C1	ZINC000413867234	428159766	/nfs/dbraw/zinc/15/97/66/428159766.db2.gz	XBNRJQYMCOBWEW-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000346422485	428165677	/nfs/dbraw/zinc/16/56/77/428165677.db2.gz	NTTRCPIDQOUAFS-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
CCN(CCC#N)C(=O)CN(CCc1ccccc1)CC(C)C	ZINC000341723858	428171889	/nfs/dbraw/zinc/17/18/89/428171889.db2.gz	TXRAYQSSZQTXKX-UHFFFAOYSA-N	0	3	315.461	2.949	20	30		DFEDHN
CC(C)(C)C[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000346438483	428172553	/nfs/dbraw/zinc/17/25/53/428172553.db2.gz	QDMMQIRTOBBYIB-JKSUJKDBSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H](C)N2CCc3ccccc3C2)n1	ZINC000341743227	428178039	/nfs/dbraw/zinc/17/80/39/428178039.db2.gz	OPEKSJQLNQEWRE-OAHLLOKOSA-N	0	3	306.413	3.120	20	30		DFEDHN
C=CCOCCCN(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1	ZINC000346454315	428178621	/nfs/dbraw/zinc/17/86/21/428178621.db2.gz	DMWJXSVQGVDDBZ-OALUTQOASA-N	0	3	318.461	2.583	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(F)c1C#N	ZINC000377741161	428215026	/nfs/dbraw/zinc/21/50/26/428215026.db2.gz	LYPZOBREASSRMC-KEYYUXOJSA-N	0	3	317.408	2.999	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000414129472	428215018	/nfs/dbraw/zinc/21/50/18/428215018.db2.gz	UWDBZTOHXAWCOS-LBPRGKRZSA-N	0	3	323.462	2.621	20	30		DFEDHN
COCC1(C#N)CCN(CCN(C)Cc2ccc(F)cc2)CC1	ZINC000341977047	428264557	/nfs/dbraw/zinc/26/45/57/428264557.db2.gz	LYRSZHWXAVDQJD-UHFFFAOYSA-N	0	3	319.424	2.510	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)Cc1c(F)cccc1C#N	ZINC000352828358	428269550	/nfs/dbraw/zinc/26/95/50/428269550.db2.gz	YLDODSNJWQUGHP-HNNXBMFYSA-N	0	3	317.408	2.621	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CC[C@@H](Cc4ccncc4)C3)n2c1	ZINC000370721359	428284250	/nfs/dbraw/zinc/28/42/50/428284250.db2.gz	PWEFHFBBEHMATC-INIZCTEOSA-N	0	3	317.396	2.666	20	30		DFEDHN
COC1CCC(N(C)CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000360308607	428246031	/nfs/dbraw/zinc/24/60/31/428246031.db2.gz	QCXTVWILLPJSFA-UHFFFAOYSA-N	0	3	321.465	2.561	20	30		DFEDHN
CC(C)[C@](C)(CO)NCc1ccc(Br)cc1C#N	ZINC000352890706	428297885	/nfs/dbraw/zinc/29/78/85/428297885.db2.gz	FEBZXHLOYDXKEK-AWEZNQCLSA-N	0	3	311.223	2.817	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(CCc2ccncc2)CC1	ZINC000377864719	428249755	/nfs/dbraw/zinc/24/97/55/428249755.db2.gz	OEJHSDCZKNVFFZ-UHFFFAOYSA-N	0	3	324.428	2.685	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(-c2cc(C#N)c[nH]2)n1	ZINC000356629890	428259985	/nfs/dbraw/zinc/25/99/85/428259985.db2.gz	AQRYFGMBLMWACR-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H](c2ccnn2C)C1	ZINC000370845365	428306914	/nfs/dbraw/zinc/30/69/14/428306914.db2.gz	ZHPAZFZIOGNABH-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[S@](=O)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000352938511	428318838	/nfs/dbraw/zinc/31/88/38/428318838.db2.gz	LOHXEKMMIULHJC-NRFANRHFSA-N	0	3	316.348	2.578	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC(=O)c1cccs1	ZINC000346831451	428336155	/nfs/dbraw/zinc/33/61/55/428336155.db2.gz	YSWBKWMZKURZEC-AWEZNQCLSA-N	0	3	312.394	2.820	20	30		DFEDHN
C=CCN(C(=O)c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371589941	428397094	/nfs/dbraw/zinc/39/70/94/428397094.db2.gz	JWWIIYQDOKIHQN-LJQANCHMSA-N	0	3	321.424	2.984	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccc(F)c(F)c2)C1	ZINC000371822100	428404716	/nfs/dbraw/zinc/40/47/16/428404716.db2.gz	HDXCMBJNJVGRGM-GXTWGEPZSA-N	0	3	308.372	2.520	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1	ZINC000347030671	428413011	/nfs/dbraw/zinc/41/30/11/428413011.db2.gz	CISYKWMDNZKSLV-ZWNOBZJWSA-N	0	3	323.190	2.509	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC(Cc3cccc(F)c3)C2)cc1	ZINC000378321565	428362269	/nfs/dbraw/zinc/36/22/69/428362269.db2.gz	AVQRZCJWRJWSPJ-IBGZPJMESA-N	0	3	310.372	2.905	20	30		DFEDHN
CN1C[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1	ZINC000371269039	428380594	/nfs/dbraw/zinc/38/05/94/428380594.db2.gz	PYVISDWEZROQSE-MOPGFXCFSA-N	0	3	319.408	2.580	20	30		DFEDHN
CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360646362	428381795	/nfs/dbraw/zinc/38/17/95/428381795.db2.gz	IDAJLCKVKRMQRW-CXAGYDPISA-N	0	3	320.458	2.739	20	30		DFEDHN
C=CCOc1ccc(CN2CCCC[C@@H](CO)C2)cc1OC	ZINC000371334782	428383688	/nfs/dbraw/zinc/38/36/88/428383688.db2.gz	ZPFHYEXGINUWMD-MRXNPFEDSA-N	0	3	305.418	2.854	20	30		DFEDHN
COc1cc(C[NH2+]CC(C)(C)CCC#N)c([N+](=O)[O-])cc1[O-]	ZINC000342288081	428384579	/nfs/dbraw/zinc/38/45/79/428384579.db2.gz	LFQUSTSIXFFAMH-UHFFFAOYSA-N	0	3	307.350	2.729	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000342734325	428440128	/nfs/dbraw/zinc/44/01/28/428440128.db2.gz	JSGVBEKEKFFMAO-KGLIPLIRSA-N	0	3	318.417	2.531	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)C2CCN(CC)CC2)cc1	ZINC000357295200	428470854	/nfs/dbraw/zinc/47/08/54/428470854.db2.gz	KEYGVRPHMDQHME-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C(C)C#N)cc1	ZINC000347050635	428424238	/nfs/dbraw/zinc/42/42/38/428424238.db2.gz	ONHALYINZSBRFC-HIFRSBDPSA-N	0	3	302.374	2.654	20	30		DFEDHN
COC(=O)COc1ccc(CN(C)CCC(C)(C)C#N)cc1	ZINC000347175721	428480275	/nfs/dbraw/zinc/48/02/75/428480275.db2.gz	VHJRCKDIFLCZIP-UHFFFAOYSA-N	0	3	304.390	2.610	20	30		DFEDHN
C[C@@H]1COCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000342933198	428490563	/nfs/dbraw/zinc/49/05/63/428490563.db2.gz	ZVGOEGYRJCMMBB-OIISXLGYSA-N	0	3	300.402	2.548	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21	ZINC000342972471	428495759	/nfs/dbraw/zinc/49/57/59/428495759.db2.gz	QPGLGVBNOBFBBG-DLBZAZTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)C1CC(OCC)C1	ZINC000347473153	428587199	/nfs/dbraw/zinc/58/71/99/428587199.db2.gz	YIIUMUOFUQKNMF-ADKAHSJRSA-N	0	3	319.445	2.654	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C	ZINC000347316174	428543600	/nfs/dbraw/zinc/54/36/00/428543600.db2.gz	KDLZRQJVBGBCMB-ZJUUUORDSA-N	0	3	307.191	2.882	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1OC	ZINC000361165502	428543737	/nfs/dbraw/zinc/54/37/37/428543737.db2.gz	JQBSTSYECDBIPC-LSDHHAIUSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1	ZINC000353456100	428546622	/nfs/dbraw/zinc/54/66/22/428546622.db2.gz	TYVFYJCNDDTOEB-UHFFFAOYSA-N	0	3	324.380	2.986	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000361290898	428553064	/nfs/dbraw/zinc/55/30/64/428553064.db2.gz	QGFKJWFQQYQQQO-GOSISDBHSA-N	0	3	313.445	2.536	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000361472628	428569905	/nfs/dbraw/zinc/56/99/05/428569905.db2.gz	ZSFFQCMXJDQOIF-HOCLYGCPSA-N	0	3	319.474	2.844	20	30		DFEDHN
CN(Cc1ccc(CC#N)cc1)[C@H](CC(N)=O)c1ccccc1	ZINC000361472530	428571632	/nfs/dbraw/zinc/57/16/32/428571632.db2.gz	YMUFVHFOZRUOFX-GOSISDBHSA-N	0	3	307.397	2.801	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)CC1(OC)CCCC1	ZINC000361495844	428573700	/nfs/dbraw/zinc/57/37/00/428573700.db2.gz	HQTAQBUHLGFOFN-UHFFFAOYSA-N	0	3	302.418	2.966	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(CC)[C@@H]1CCOC1)C(C)C	ZINC000361881048	428602795	/nfs/dbraw/zinc/60/27/95/428602795.db2.gz	VDWXDLAQJULIJL-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(Cc2ccccc2)[C@H](CC)C1	ZINC000353578794	428605457	/nfs/dbraw/zinc/60/54/57/428605457.db2.gz	FAZJDKXZYICYKB-MOPGFXCFSA-N	0	3	302.462	2.910	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCC(F)(F)CC1	ZINC000347594823	428617277	/nfs/dbraw/zinc/61/72/77/428617277.db2.gz	HJSZUSHNTFRJHL-AWEZNQCLSA-N	0	3	301.381	2.551	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OCC)C12CCCC2	ZINC000347680517	428620077	/nfs/dbraw/zinc/62/00/77/428620077.db2.gz	AZPIUQZGISPYMZ-JKSUJKDBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCC[C@@H](NCCCSCC#N)c1nnc2ccccn21	ZINC000347634694	428621152	/nfs/dbraw/zinc/62/11/52/428621152.db2.gz	JSRMORDOSGALPJ-CYBMUJFWSA-N	0	3	303.435	2.807	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCO[C@@H]1CCCCO1	ZINC000344101501	428623724	/nfs/dbraw/zinc/62/37/24/428623724.db2.gz	FBRAAOJHGTXEGZ-GOSISDBHSA-N	0	3	318.417	2.550	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1CNC	ZINC000415920964	428626879	/nfs/dbraw/zinc/62/68/79/428626879.db2.gz	LADGMUBUIOGUOO-GDBMZVCRSA-N	0	3	303.406	2.509	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C	ZINC000347875632	428627802	/nfs/dbraw/zinc/62/78/02/428627802.db2.gz	FUZANCBNRDBUQD-LBPRGKRZSA-N	0	3	305.809	2.927	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)c2ccccc2F)CC1	ZINC000347976679	428632111	/nfs/dbraw/zinc/63/21/11/428632111.db2.gz	YQKDGWWYVBTKHD-UHFFFAOYSA-N	0	3	320.408	2.566	20	30		DFEDHN
Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347993881	428632689	/nfs/dbraw/zinc/63/26/89/428632689.db2.gz	QZENOZSRXTWEHT-SFHVURJKSA-N	0	3	303.365	2.865	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000347972514	428633035	/nfs/dbraw/zinc/63/30/35/428633035.db2.gz	QWVHHELKQPHYOF-SFHVURJKSA-N	0	3	303.365	2.865	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1	ZINC000348128205	428637480	/nfs/dbraw/zinc/63/74/80/428637480.db2.gz	XJZRQMKIUBOUIG-BBWFWOEESA-N	0	3	323.481	2.626	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1	ZINC000348137005	428640874	/nfs/dbraw/zinc/64/08/74/428640874.db2.gz	PNEMQMLMRMPBNZ-DGCLKSJQSA-N	0	3	321.808	2.555	20	30		DFEDHN
C=CCCN1CC[C@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1	ZINC000373767893	428645934	/nfs/dbraw/zinc/64/59/34/428645934.db2.gz	BZDOHCNGBGCEQR-HNNXBMFYSA-N	0	3	305.422	2.797	20	30		DFEDHN
C[C@@]1(CNc2nccnc2C#N)CCN(Cc2ccccc2)C1	ZINC000373995895	428658874	/nfs/dbraw/zinc/65/88/74/428658874.db2.gz	QSPYGGJMFRCESO-SFHVURJKSA-N	0	3	307.401	2.672	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1	ZINC000408384311	428651781	/nfs/dbraw/zinc/65/17/81/428651781.db2.gz	ZBEFDURYRWEKDR-YOEHRIQHSA-N	0	3	318.465	2.775	20	30		DFEDHN
C=CCCCCCN1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000373867637	428652417	/nfs/dbraw/zinc/65/24/17/428652417.db2.gz	PKJSOIVDDFKUMD-UHFFFAOYSA-N	0	3	314.495	2.623	20	30		DFEDHN
CCOC(=O)CCCCN1CCC(C#N)(c2ccccn2)CC1	ZINC000374293834	428671915	/nfs/dbraw/zinc/67/19/15/428671915.db2.gz	PZDHAADTXRLREU-UHFFFAOYSA-N	0	3	315.417	2.672	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@](C)(OC)C1	ZINC000348239807	428675379	/nfs/dbraw/zinc/67/53/79/428675379.db2.gz	PLMYVCBGIKJEQU-IEBWSBKVSA-N	0	3	319.445	2.656	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)c2cscc2C#N)o1	ZINC000410573581	428697683	/nfs/dbraw/zinc/69/76/83/428697683.db2.gz	PIXZRPYRKWLHPX-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000362369374	428722142	/nfs/dbraw/zinc/72/21/42/428722142.db2.gz	FZRGKBQZXZGLGG-OAHLLOKOSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1	ZINC000348485347	428755640	/nfs/dbraw/zinc/75/56/40/428755640.db2.gz	QQYWIWCOQZHNNB-YJBOKZPZSA-N	0	3	310.482	2.578	20	30		DFEDHN
COc1cc2c(c(OC)c1OC)CCN([C@@H](C)CCC#N)CC2	ZINC000411320845	428774930	/nfs/dbraw/zinc/77/49/30/428774930.db2.gz	HBPNCAHDJHOSDY-ZDUSSCGKSA-N	0	3	318.417	2.805	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N(CCC)C[C@@H]1CCCCO1	ZINC000411364829	428783375	/nfs/dbraw/zinc/78/33/75/428783375.db2.gz	GYWOBSQLESGDLJ-IRXDYDNUSA-N	0	3	308.466	2.857	20	30		DFEDHN
C=C(C)COc1cc(CN(C)[C@@H]2CCC[C@H]2O)ccc1OC	ZINC000348554980	428787555	/nfs/dbraw/zinc/78/75/55/428787555.db2.gz	MXCGHXDRYSYWMR-HZPDHXFCSA-N	0	3	305.418	2.995	20	30		DFEDHN
C[C@@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348438981	428745298	/nfs/dbraw/zinc/74/52/98/428745298.db2.gz	FZGTZTBCSFUSNG-GXFFZTMASA-N	0	3	309.291	2.698	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000362695551	428800388	/nfs/dbraw/zinc/80/03/88/428800388.db2.gz	TYOPJGWNYPSMOK-YQQAZPJKSA-N	0	3	301.434	2.913	20	30		DFEDHN
CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCC1(C#N)CCCCC1	ZINC000411562638	428816037	/nfs/dbraw/zinc/81/60/37/428816037.db2.gz	SSTOHWOWDVKOET-HZPDHXFCSA-N	0	3	322.449	2.893	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nc(C)nc(C)c1C)C(C)C	ZINC000348720991	428819731	/nfs/dbraw/zinc/81/97/31/428819731.db2.gz	GLZGQQIAPKAUJK-KRWDZBQOSA-N	0	3	302.466	3.512	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)c(F)c1	ZINC000411640287	428831624	/nfs/dbraw/zinc/83/16/24/428831624.db2.gz	KEMMUZVCLXDHRA-UHFFFAOYSA-N	0	3	307.413	2.512	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000411659450	428833323	/nfs/dbraw/zinc/83/33/23/428833323.db2.gz	YPDYYJQENSRENR-CQSZACIVSA-N	0	3	303.362	2.964	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1	ZINC000411680397	428839659	/nfs/dbraw/zinc/83/96/59/428839659.db2.gz	USINXGIOUOLVEL-PMACEKPBSA-N	0	3	322.408	2.855	20	30		DFEDHN
COc1cc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)ccn1	ZINC000411745563	428853778	/nfs/dbraw/zinc/85/37/78/428853778.db2.gz	VODPYHJMRPNJFW-CYBMUJFWSA-N	0	3	324.384	2.641	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@H]3n3cccn3)n2c1	ZINC000375324586	428856676	/nfs/dbraw/zinc/85/66/76/428856676.db2.gz	ULMDAEXIBYDWLN-IAGOWNOFSA-N	0	3	320.400	2.676	20	30		DFEDHN
CN(C)C(=O)N[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1	ZINC000411803696	428861390	/nfs/dbraw/zinc/86/13/90/428861390.db2.gz	FRMUVGRMYHTDSZ-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(CCOc3ccccc3C#N)C2)n[nH]1	ZINC000363126804	428863770	/nfs/dbraw/zinc/86/37/70/428863770.db2.gz	PAFISIGTGGVCLX-MRXNPFEDSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(CCOc3ccccc3C#N)C2)[nH]n1	ZINC000363126804	428863772	/nfs/dbraw/zinc/86/37/72/428863772.db2.gz	PAFISIGTGGVCLX-MRXNPFEDSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H]2CCCN(C)[C@@H]2c2ccccc2)n1	ZINC000375366811	428863825	/nfs/dbraw/zinc/86/38/25/428863825.db2.gz	LRCMBEOHXBTPNV-SJLPKXTDSA-N	0	3	321.428	3.152	20	30		DFEDHN
N#CCCN(CC1CC1)C(=O)CCN1CCc2ccccc2C1	ZINC000348872737	428867869	/nfs/dbraw/zinc/86/78/69/428867869.db2.gz	SGMJJWPOFLXVHE-UHFFFAOYSA-N	0	3	311.429	2.587	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000359216795	428869169	/nfs/dbraw/zinc/86/91/69/428869169.db2.gz	BUMZZCACYHXSKS-OAHLLOKOSA-N	0	3	317.408	2.760	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000359215511	428869225	/nfs/dbraw/zinc/86/92/25/428869225.db2.gz	BKFNRJUWCZQKIK-ZDUSSCGKSA-N	0	3	305.447	2.682	20	30		DFEDHN
C#CCCN1CCC(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1	ZINC000363163828	428873922	/nfs/dbraw/zinc/87/39/22/428873922.db2.gz	CPTPZKYKPCESOQ-DZGCQCFKSA-N	0	3	300.402	2.621	20	30		DFEDHN
C=CCN(Cc1nnc(C)o1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363184999	428876608	/nfs/dbraw/zinc/87/66/08/428876608.db2.gz	NHHUOGXSKCZGEW-KRWDZBQOSA-N	0	3	312.417	2.641	20	30		DFEDHN
CO[C@H]1c2ccccc2C[C@H]1NCCOc1ccccc1C#N	ZINC000411894462	428877224	/nfs/dbraw/zinc/87/72/24/428877224.db2.gz	RTOGKHYQYIECLY-MJGOQNOKSA-N	0	3	308.381	2.839	20	30		DFEDHN
C=CCOc1ccccc1CN1CCO[C@H]2CCN(CC)C[C@H]21	ZINC000354132567	428877297	/nfs/dbraw/zinc/87/72/97/428877297.db2.gz	XXYCJCUUSPHCHS-MJGOQNOKSA-N	0	3	316.445	2.546	20	30		DFEDHN
CO[C@H]1c2ccccc2C[C@H]1NCCOc1ccc(C#N)cc1	ZINC000411891154	428877695	/nfs/dbraw/zinc/87/76/95/428877695.db2.gz	JEYXJGQPVXQBOW-MOPGFXCFSA-N	0	3	308.381	2.839	20	30		DFEDHN
COc1cc(CN[C@@H](CO)CC2CCCCC2)ccc1C#N	ZINC000418130129	428886047	/nfs/dbraw/zinc/88/60/47/428886047.db2.gz	UIFVHNNHDAFXNG-QGZVFWFLSA-N	0	3	302.418	2.988	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1	ZINC000412046444	428922358	/nfs/dbraw/zinc/92/23/58/428922358.db2.gz	UBCKKANYQODZMQ-AEFFLSMTSA-N	0	3	302.393	2.638	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1	ZINC000412046450	428925541	/nfs/dbraw/zinc/92/55/41/428925541.db2.gz	UBCKKANYQODZMQ-SJLPKXTDSA-N	0	3	302.393	2.638	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000375617843	428925833	/nfs/dbraw/zinc/92/58/33/428925833.db2.gz	KNKWOMDOSKZYTG-JKSUJKDBSA-N	0	3	317.820	2.910	20	30		DFEDHN
COCCCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000419393489	428931159	/nfs/dbraw/zinc/93/11/59/428931159.db2.gz	UNXYZDVTTAXTTH-PQUAAJSLSA-N	0	3	323.481	2.664	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1	ZINC000412056770	428933768	/nfs/dbraw/zinc/93/37/68/428933768.db2.gz	PIHIXPWYKPDQHK-SFHVURJKSA-N	0	3	311.429	2.730	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)NCC1(C#N)CCC1	ZINC000419620010	428937159	/nfs/dbraw/zinc/93/71/59/428937159.db2.gz	CCYXFPWBUWGKQE-UHFFFAOYSA-N	0	3	320.481	2.834	20	30		DFEDHN
C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCN1	ZINC000420191925	428948675	/nfs/dbraw/zinc/94/86/75/428948675.db2.gz	HUZFSRKYBPHWLT-JTQLQIEISA-N	0	3	318.327	2.506	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1	ZINC000420239456	428950600	/nfs/dbraw/zinc/95/06/00/428950600.db2.gz	OYZJJHJRBCMUEH-SECBINFHSA-N	0	3	304.756	2.697	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)Cc1ccc(C#N)cc1F	ZINC000349292529	428957781	/nfs/dbraw/zinc/95/77/81/428957781.db2.gz	CRGJUVFNICSCEX-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2cncc(C#N)n2)CC1	ZINC000420598273	428958532	/nfs/dbraw/zinc/95/85/32/428958532.db2.gz	JNRXGHGKGYTOBC-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC[C@H](C)C1	ZINC000420794347	428962853	/nfs/dbraw/zinc/96/28/53/428962853.db2.gz	RNMVQMPXTDSGJX-STQMWFEESA-N	0	3	320.462	2.539	20	30		DFEDHN
CN(Cc1ccc(C#N)s1)C1CCN(c2cnccn2)CC1	ZINC000375917201	429016170	/nfs/dbraw/zinc/01/61/70/429016170.db2.gz	AQVMTOONIFGRSM-UHFFFAOYSA-N	0	3	313.430	2.511	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccc(-c3cc[nH]n3)o2)cc1	ZINC000433336369	429025362	/nfs/dbraw/zinc/02/53/62/429025362.db2.gz	UZEUCBBXSRJXPL-UHFFFAOYSA-N	0	3	308.341	2.710	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CC1(F)F)C(C)C	ZINC000421767859	429030980	/nfs/dbraw/zinc/03/09/80/429030980.db2.gz	BYTYXZJVCVBAQT-HIFRSBDPSA-N	0	3	300.393	2.847	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(Cl)cc1-n1cncn1	ZINC000355105435	429031112	/nfs/dbraw/zinc/03/11/12/429031112.db2.gz	AEHLWZRVGUUTAM-UHFFFAOYSA-N	0	3	306.797	2.555	20	30		DFEDHN
CC(C)(CNC(=O)Cc1c(F)cccc1C#N)N1CCCCC1	ZINC000349360725	428972647	/nfs/dbraw/zinc/97/26/47/428972647.db2.gz	AZPVFDOCPHVGJH-UHFFFAOYSA-N	0	3	317.408	2.621	20	30		DFEDHN
C[C@H](NC[C@H]1CNC(=O)O1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363721878	428977183	/nfs/dbraw/zinc/97/71/83/428977183.db2.gz	WIXFOVNESCOAJD-UGSOOPFHSA-N	0	3	321.380	2.984	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC2CCOCC2)cc1)c1ccncn1	ZINC000354465951	428987508	/nfs/dbraw/zinc/98/75/08/428987508.db2.gz	LTTNESVAYMIXQX-INIZCTEOSA-N	0	3	323.352	2.524	20	30		DFEDHN
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354471804	428991652	/nfs/dbraw/zinc/99/16/52/428991652.db2.gz	UFPMMALJJWLKQH-UGFHNGPFSA-N	0	3	320.352	2.561	20	30		DFEDHN
CC1=NN(c2ccc(C(=O)C(C#N)c3ccncn3)cc2)CC1	ZINC000354476674	428992219	/nfs/dbraw/zinc/99/22/19/428992219.db2.gz	ZZBNVSDXSYGBDH-OAHLLOKOSA-N	0	3	305.341	2.553	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Br	ZINC000433142846	429001520	/nfs/dbraw/zinc/00/15/20/429001520.db2.gz	FUXWBUAFJRWRGW-YGRLFVJLSA-N	0	3	309.207	2.835	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000451895044	429010702	/nfs/dbraw/zinc/01/07/02/429010702.db2.gz	WWUPFMURIFBHPA-HNNXBMFYSA-N	0	3	309.498	2.510	20	30		DFEDHN
CCOc1ccccc1[C@@H](CC)NC(=O)[C@H](N)CCCC#N	ZINC000424086318	429090124	/nfs/dbraw/zinc/09/01/24/429090124.db2.gz	GMNWDRPRWAMFNC-HUUCEWRRSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl	ZINC000424104022	429090719	/nfs/dbraw/zinc/09/07/19/429090719.db2.gz	OABUJSQHEFWQQH-ZBFHGGJFSA-N	0	3	319.836	2.895	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCCCCC2	ZINC000424107211	429092671	/nfs/dbraw/zinc/09/26/71/429092671.db2.gz	YVPNIVUABZOXQD-NSHDSACASA-N	0	3	306.435	2.762	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1	ZINC000424124179	429094215	/nfs/dbraw/zinc/09/42/15/429094215.db2.gz	LPZRXYVLMCGVEN-JKSUJKDBSA-N	0	3	303.381	2.900	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCC#N	ZINC000424125267	429094406	/nfs/dbraw/zinc/09/44/06/429094406.db2.gz	QKIQCYCROWHOBX-HZPDHXFCSA-N	0	3	305.397	2.530	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)c1ccccc1	ZINC000424123509	429095170	/nfs/dbraw/zinc/09/51/70/429095170.db2.gz	KZAXMVSVTQDLQC-JKSUJKDBSA-N	0	3	301.434	2.880	20	30		DFEDHN
CCCCc1nc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2[nH]1	ZINC000424131648	429095652	/nfs/dbraw/zinc/09/56/52/429095652.db2.gz	JOHXHGQLJBUENO-ZDUSSCGKSA-N	0	3	313.405	2.865	20	30		DFEDHN
CCCCc1nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2[nH]1	ZINC000424131648	429095656	/nfs/dbraw/zinc/09/56/56/429095656.db2.gz	JOHXHGQLJBUENO-ZDUSSCGKSA-N	0	3	313.405	2.865	20	30		DFEDHN
COC(=O)[C@H]1CN(CCC(C)(C)C#N)C[C@H]1c1ccccc1	ZINC000451998809	429036081	/nfs/dbraw/zinc/03/60/81/429036081.db2.gz	BWACITUHPGPIKT-HOTGVXAUSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cc[nH]c(=O)c1	ZINC000355305820	429037327	/nfs/dbraw/zinc/03/73/27/429037327.db2.gz	VAFXDUDXDMNWFP-CZUORRHYSA-N	0	3	309.369	2.737	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000452035352	429041240	/nfs/dbraw/zinc/04/12/40/429041240.db2.gz	WQRGESGBDVELTR-BZUAXINKSA-N	0	3	321.465	2.655	20	30		DFEDHN
C[C@@H](Nc1ccn(C2CCN(C)CC2)n1)c1cccc(C#N)c1	ZINC000376047993	429047033	/nfs/dbraw/zinc/04/70/33/429047033.db2.gz	XEAXJGPBBFWHOY-CQSZACIVSA-N	0	3	309.417	3.195	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CCO)CC1	ZINC000422078915	429047781	/nfs/dbraw/zinc/04/77/81/429047781.db2.gz	USUKFUMAPORGSG-ROUUACIJSA-N	0	3	314.429	2.770	20	30		DFEDHN
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424128911	429096691	/nfs/dbraw/zinc/09/66/91/429096691.db2.gz	RQRQMUCKBIHNJX-CABCVRRESA-N	0	3	307.825	2.798	20	30		DFEDHN
CCCOc1cc(OC)ccc1C(=O)C(C#N)c1ccncn1	ZINC000355530559	429051151	/nfs/dbraw/zinc/05/11/51/429051151.db2.gz	BMOKELCLHRRCCE-AWEZNQCLSA-N	0	3	311.341	2.764	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN[C@@H](C)c1cnccc1N)C(C)C	ZINC000422826234	429052311	/nfs/dbraw/zinc/05/23/11/429052311.db2.gz	BYLPNTJWPTYZGJ-MAUKXSAKSA-N	0	3	302.466	2.843	20	30		DFEDHN
N#CCCCOc1cccc(N[C@H](C2CC2)[C@H]2CNCCO2)c1	ZINC000423027409	429053504	/nfs/dbraw/zinc/05/35/04/429053504.db2.gz	OTDWQMAOCUERSY-QZTJIDSGSA-N	0	3	315.417	2.548	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F	ZINC000412680815	429080776	/nfs/dbraw/zinc/08/07/76/429080776.db2.gz	QNVNUHYLVPGZCL-SMDDNHRTSA-N	0	3	323.318	2.945	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCCCOc1ccc(Cl)cc1	ZINC000424068635	429086267	/nfs/dbraw/zinc/08/62/67/429086267.db2.gz	ZVFIIVQEWIDJHX-OAHLLOKOSA-N	0	3	323.824	2.636	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1ccc(Cl)cc1Cl	ZINC000424070408	429087716	/nfs/dbraw/zinc/08/77/16/429087716.db2.gz	ALRXABUOLWSTOX-CYBMUJFWSA-N	0	3	314.216	2.673	20	30		DFEDHN
C=CCC1(C(=O)Nc2ccc3c(c2)CNCC3)CCOCC1	ZINC000424082775	429088414	/nfs/dbraw/zinc/08/84/14/429088414.db2.gz	WPRFAJSTTQQWJA-UHFFFAOYSA-N	0	3	300.402	2.644	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1	ZINC000453375833	429147610	/nfs/dbraw/zinc/14/76/10/429147610.db2.gz	XLPQKCVQWFQWJI-ZSXDVEMLSA-N	0	3	317.429	2.935	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453424994	429150166	/nfs/dbraw/zinc/15/01/66/429150166.db2.gz	LXABKNPKYAGMGD-HNNXBMFYSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1OC(F)F	ZINC000424175648	429104562	/nfs/dbraw/zinc/10/45/62/429104562.db2.gz	QGKJFUDMMRRFNL-FZMZJTMJSA-N	0	3	313.344	2.977	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	ZINC000424171164	429104920	/nfs/dbraw/zinc/10/49/20/429104920.db2.gz	LKDVUHKFBKSWBV-UONOGXRCSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	ZINC000424167403	429105491	/nfs/dbraw/zinc/10/54/91/429105491.db2.gz	DUPXCYRMMWTKIX-BPUTZDHNSA-N	0	3	303.381	2.599	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2cnc3ccc(Br)cn23)C1	ZINC000424201431	429108685	/nfs/dbraw/zinc/10/86/85/429108685.db2.gz	RYTAFZDIGNFTSJ-CMPLNLGQSA-N	0	3	319.206	2.879	20	30		DFEDHN
Cn1cc(CN2CCC23CCOCC3)c(-c2ccc(C#N)cc2)n1	ZINC000376499586	429123328	/nfs/dbraw/zinc/12/33/28/429123328.db2.gz	GJSAFSYBWVATII-UHFFFAOYSA-N	0	3	322.412	2.714	20	30		DFEDHN
Cc1cc(N2CCN(CC(C)C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413031545	429124281	/nfs/dbraw/zinc/12/42/81/429124281.db2.gz	XLHIIZPBDNQLQR-UHFFFAOYSA-N	0	3	302.378	2.553	20	30		DFEDHN
C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C	ZINC000413094985	429135284	/nfs/dbraw/zinc/13/52/84/429135284.db2.gz	LYKMSRDPSMVZHU-OQMKEHIESA-N	0	3	303.381	2.768	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1	ZINC000454213709	429161974	/nfs/dbraw/zinc/16/19/74/429161974.db2.gz	MPHWMBUNTOEAMT-YOEHRIQHSA-N	0	3	314.433	2.630	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000454340214	429164916	/nfs/dbraw/zinc/16/49/16/429164916.db2.gz	NFZDIGGOVFTJRJ-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000454450716	429165858	/nfs/dbraw/zinc/16/58/58/429165858.db2.gz	QOHYNSSNSAISSH-UHFFFAOYSA-N	0	3	302.422	2.949	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CCCCC2(F)F)CC1	ZINC000454554869	429168630	/nfs/dbraw/zinc/16/86/30/429168630.db2.gz	XNBWUJLCZJJWJU-ZDUSSCGKSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=C(CC)CNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000454866322	429173587	/nfs/dbraw/zinc/17/35/87/429173587.db2.gz	DULRMIZCEPERIW-KRWDZBQOSA-N	0	3	301.434	2.774	20	30		DFEDHN
Cc1cc(CN(C)C[C@H](O)COCc2ccccc2)ccc1C#N	ZINC000487918080	429173673	/nfs/dbraw/zinc/17/36/73/429173673.db2.gz	NOKTVCSFUISXKN-FQEVSTJZSA-N	0	3	324.424	2.876	20	30		DFEDHN
Cc1nc(NCCCN2CCc3ccccc3C2)ccc1C#N	ZINC000487932805	429175258	/nfs/dbraw/zinc/17/52/58/429175258.db2.gz	SPPOYUSPUZNPLF-UHFFFAOYSA-N	0	3	306.413	3.122	20	30		DFEDHN
Cc1cc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1C#N	ZINC000488131025	429176306	/nfs/dbraw/zinc/17/63/06/429176306.db2.gz	GHNIXXLKVUFKHG-IEBWSBKVSA-N	0	3	323.440	2.842	20	30		DFEDHN
C=C(C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000455319024	429184314	/nfs/dbraw/zinc/18/43/14/429184314.db2.gz	ZGNIKFCFUCJQJD-UHFFFAOYSA-N	0	3	301.434	2.870	20	30		DFEDHN
Cc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)ccc1C#N	ZINC000488702151	429188423	/nfs/dbraw/zinc/18/84/23/429188423.db2.gz	HWKINCAVDSOOCU-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
Cc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)ccc1C#N	ZINC000488699668	429188926	/nfs/dbraw/zinc/18/89/26/429188926.db2.gz	HWKINCAVDSOOCU-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455753707	429208846	/nfs/dbraw/zinc/20/88/46/429208846.db2.gz	KNFRFAVYVTVTEJ-LLVKDONJSA-N	0	3	321.812	2.603	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2cccc(C#N)c2F)C1	ZINC000495482466	429213666	/nfs/dbraw/zinc/21/36/66/429213666.db2.gz	VRIJOSVRPAPTSW-WFASDCNBSA-N	0	3	319.380	2.654	20	30		DFEDHN
CN1C[C@@H]2CCCN(C(=O)C[C@H](CC#N)c3ccccc3)[C@@H]2C1	ZINC000425062667	429228341	/nfs/dbraw/zinc/22/83/41/429228341.db2.gz	DPSKRWPWVMTXSJ-OKZBNKHCSA-N	0	3	311.429	2.627	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000456011643	429231863	/nfs/dbraw/zinc/23/18/63/429231863.db2.gz	UYSZZTSYQFUZQN-CZUORRHYSA-N	0	3	300.406	2.813	20	30		DFEDHN
CC(C)CN1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000437410790	429203225	/nfs/dbraw/zinc/20/32/25/429203225.db2.gz	ZPRVQUPVMMAFJD-UHFFFAOYSA-N	0	3	323.387	2.933	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1Cc1cc(C#N)n(C)c1	ZINC000365235123	429284365	/nfs/dbraw/zinc/28/43/65/429284365.db2.gz	SDQQBGRDCZOYMY-QGZVFWFLSA-N	0	3	322.456	2.993	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000442798284	429237408	/nfs/dbraw/zinc/23/74/08/429237408.db2.gz	YJUABHKVVWFSQO-JTDSTZFVSA-N	0	3	313.445	2.689	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1	ZINC000442849464	429238617	/nfs/dbraw/zinc/23/86/17/429238617.db2.gz	OAXGWTSPKRSQNC-KZNAEPCWSA-N	0	3	311.429	2.502	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@H](CO)c1ccccc1	ZINC000456088858	429240182	/nfs/dbraw/zinc/24/01/82/429240182.db2.gz	UQBCBXLKCJPICW-RTBURBONSA-N	0	3	322.408	2.951	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COc1cccc2[nH]ccc21	ZINC000489493220	429246848	/nfs/dbraw/zinc/24/68/48/429246848.db2.gz	HELRWTLOWPSMLH-GJZGRUSLSA-N	0	3	300.402	2.948	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2cnccc2C#N)CC1	ZINC000425244936	429250982	/nfs/dbraw/zinc/25/09/82/429250982.db2.gz	VYAZCUGFKBHWSV-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cccc1[N+](=O)[O-]	ZINC000425255426	429252403	/nfs/dbraw/zinc/25/24/03/429252403.db2.gz	PNSUBOIKXDGSCH-TZMCWYRMSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000425270743	429254138	/nfs/dbraw/zinc/25/41/38/429254138.db2.gz	UEOUSSJFCFOFJW-WOSRLPQWSA-N	0	3	314.389	2.633	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000443513891	429254445	/nfs/dbraw/zinc/25/44/45/429254445.db2.gz	YCAUHZZJRQASAA-GHMZBOCLSA-N	0	3	312.339	2.891	20	30		DFEDHN
Cc1cc(CNCc2cccnc2-n2cccn2)ccc1C#N	ZINC000443990217	429260300	/nfs/dbraw/zinc/26/03/00/429260300.db2.gz	SLQSANDQEXUPBL-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
Cc1cc(CN[C@H]2CCc3nnc(C(C)C)n3C2)ccc1C#N	ZINC000443979971	429260476	/nfs/dbraw/zinc/26/04/76/429260476.db2.gz	LOCYXXVZRZTHMK-INIZCTEOSA-N	0	3	309.417	2.686	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)NCC(=O)OC(C)(C)C)CCCC1(C)C	ZINC000444786773	429276725	/nfs/dbraw/zinc/27/67/25/429276725.db2.gz	VQPVWMFXSPLGOR-CQSZACIVSA-N	0	3	324.465	2.511	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1(C)C	ZINC000444964022	429279001	/nfs/dbraw/zinc/27/90/01/429279001.db2.gz	HMXJAEIXHQXBNV-ZBFHGGJFSA-N	0	3	305.466	2.999	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC(C)(C)C#N)C1	ZINC000456336131	429279930	/nfs/dbraw/zinc/27/99/30/429279930.db2.gz	NFKXTHZJWGSYEI-MRXNPFEDSA-N	0	3	313.445	2.907	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@@H]1c2ccccc2CC[C@@H]1CO	ZINC000365227098	429282676	/nfs/dbraw/zinc/28/26/76/429282676.db2.gz	XQYYSVOLUZMZCH-XLIONFOSSA-N	0	3	322.408	2.823	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000448828965	429319010	/nfs/dbraw/zinc/31/90/10/429319010.db2.gz	SUBIHMBFKUZRDE-GUYCJALGSA-N	0	3	317.458	2.626	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccccc1	ZINC000425542167	429320435	/nfs/dbraw/zinc/32/04/35/429320435.db2.gz	QFNYTJWGXKVRCP-YJBOKZPZSA-N	0	3	310.397	2.991	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000448875024	429320802	/nfs/dbraw/zinc/32/08/02/429320802.db2.gz	QAEMALOBEGCGMG-HUUCEWRRSA-N	0	3	308.466	2.546	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(Cl)c(C)c2)CC1	ZINC000491155104	429329142	/nfs/dbraw/zinc/32/91/42/429329142.db2.gz	OROGMEZQGNMQQG-UHFFFAOYSA-N	0	3	304.821	2.610	20	30		DFEDHN
C#C[C@@H](NC(=O)NCCN(C)C1CC1)c1ccc(Cl)cc1F	ZINC000491181092	429332026	/nfs/dbraw/zinc/33/20/26/429332026.db2.gz	QCZASIBIKRGTEM-OAHLLOKOSA-N	0	3	323.799	2.547	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccs1	ZINC000365539452	429336387	/nfs/dbraw/zinc/33/63/87/429336387.db2.gz	PNASPNRPOSKTRB-HIFRSBDPSA-N	0	3	317.458	2.941	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H]2CCCc3ccc(F)cc32)CC1	ZINC000491306474	429345252	/nfs/dbraw/zinc/34/52/52/429345252.db2.gz	MYAPGYQTHXYXKY-SFHVURJKSA-N	0	3	314.404	2.665	20	30		DFEDHN
C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1	ZINC000425461844	429300748	/nfs/dbraw/zinc/30/07/48/429300748.db2.gz	CSAYZBBUFJSHDJ-KBPBESRZSA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1	ZINC000425461845	429301022	/nfs/dbraw/zinc/30/10/22/429301022.db2.gz	CSAYZBBUFJSHDJ-KGLIPLIRSA-N	0	3	314.433	2.743	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425468937	429304132	/nfs/dbraw/zinc/30/41/32/429304132.db2.gz	DVZOOSNKYKBTNO-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)C1	ZINC000447529817	429304633	/nfs/dbraw/zinc/30/46/33/429304633.db2.gz	MTJRAZNEXCYISK-QKPAOTATSA-N	0	3	308.372	2.896	20	30		DFEDHN
C#CCN(C[C@H](O)CCOC(C)C)[C@@H]1CCc2ccccc21	ZINC000490740864	429304670	/nfs/dbraw/zinc/30/46/70/429304670.db2.gz	OFDQYIQMGZUQSB-IEBWSBKVSA-N	0	3	301.430	2.785	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000490780611	429306092	/nfs/dbraw/zinc/30/60/92/429306092.db2.gz	MSRVXBNIVXMLID-AEFFLSMTSA-N	0	3	313.445	2.562	20	30		DFEDHN
CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000425487790	429307874	/nfs/dbraw/zinc/30/78/74/429307874.db2.gz	WBRRAXNVQMAJDQ-OAHLLOKOSA-N	0	3	323.387	2.932	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC[C@H]2N(C)CCCC2(C)C)nc1	ZINC000447805373	429307923	/nfs/dbraw/zinc/30/79/23/429307923.db2.gz	IUPSPDSNNFGGFA-OAHLLOKOSA-N	0	3	316.449	2.530	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@](C)(CNCC2(C#N)CCC2)C1	ZINC000496127466	429309742	/nfs/dbraw/zinc/30/97/42/429309742.db2.gz	XQIITEMBDHNMSB-INIZCTEOSA-N	0	3	307.438	2.917	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC[C@H](C#N)CCC#N)C1	ZINC000496170449	429311693	/nfs/dbraw/zinc/31/16/93/429311693.db2.gz	KGDZBAYYZAJWJG-QLFBSQMISA-N	0	3	320.437	2.713	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)OC1CCC1	ZINC000496243218	429312250	/nfs/dbraw/zinc/31/22/50/429312250.db2.gz	IMUSYHADBYKGBW-UHFFFAOYSA-N	0	3	301.390	2.611	20	30		DFEDHN
C#CCN(C[C@H](O)c1ccc(F)cn1)[C@@H]1CCc2ccccc21	ZINC000491697428	429391862	/nfs/dbraw/zinc/39/18/62/429391862.db2.gz	KPWVROHGQBVQCB-MOPGFXCFSA-N	0	3	310.372	2.877	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000491693820	429392248	/nfs/dbraw/zinc/39/22/48/429392248.db2.gz	DQHYDESIQASYAQ-QGZVFWFLSA-N	0	3	313.445	2.752	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)CSc1ccc(C#N)cc1	ZINC000457076735	429392500	/nfs/dbraw/zinc/39/25/00/429392500.db2.gz	OSVYHBYDBKKLAU-UHFFFAOYSA-N	0	3	317.458	2.641	20	30		DFEDHN
C#CCNC(=O)C1CCN(C/C=C\c2ccc(Cl)cc2)CC1	ZINC000491710901	429396228	/nfs/dbraw/zinc/39/62/28/429396228.db2.gz	VKRORLJZKKRINW-ARJAWSKDSA-N	0	3	316.832	2.815	20	30		DFEDHN
C#C[C@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000491746054	429402236	/nfs/dbraw/zinc/40/22/36/429402236.db2.gz	ZLOJNAKKGKABCY-KBPBESRZSA-N	0	3	301.308	2.866	20	30		DFEDHN
C#CCN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000491773292	429405654	/nfs/dbraw/zinc/40/56/54/429405654.db2.gz	RJUUEUNGPOHMPS-ZWKOTPCHSA-N	0	3	312.413	2.647	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cccc(C(F)F)c2)CC1	ZINC000491781525	429406958	/nfs/dbraw/zinc/40/69/58/429406958.db2.gz	MNZGHXHJMBDOSR-UHFFFAOYSA-N	0	3	306.356	2.586	20	30		DFEDHN
C=CCCCCCN1CCCN(CC(=O)N(CC)CC)CC1	ZINC000365956780	429407494	/nfs/dbraw/zinc/40/74/94/429407494.db2.gz	TXXTWCUHERAOEH-UHFFFAOYSA-N	0	3	309.498	2.609	20	30		DFEDHN
C[C@H]1[C@@H](CO)CCN1Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000425990873	429357603	/nfs/dbraw/zinc/35/76/03/429357603.db2.gz	PREDJIUGSGOBIL-DOTOQJQBSA-N	0	3	324.428	2.666	20	30		DFEDHN
Cc1csc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1C#N	ZINC000514611100	429365539	/nfs/dbraw/zinc/36/55/39/429365539.db2.gz	ISBZJNXHJVWDTR-LLVKDONJSA-N	0	3	304.419	2.700	20	30		DFEDHN
C#C[C@H](C)N(C)C[C@H](O)COc1c(Cl)cccc1Cl	ZINC000491538375	429371630	/nfs/dbraw/zinc/37/16/30/429371630.db2.gz	YOMJRXKZSHTWDN-QWRGUYRKSA-N	0	3	302.201	2.687	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1ccc(-c2ccncc2)cc1	ZINC000491537532	429372366	/nfs/dbraw/zinc/37/23/66/429372366.db2.gz	ROQFEJCBXALJMM-HNNXBMFYSA-N	0	3	307.397	2.539	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(C#N)cc2)CC1	ZINC000491549231	429373946	/nfs/dbraw/zinc/37/39/46/429373946.db2.gz	VVCYCDRUQFGNMY-FPLPWBNLSA-N	0	3	309.413	2.728	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000515165907	429374367	/nfs/dbraw/zinc/37/43/67/429374367.db2.gz	NSMDZNXZPKWLIJ-CABCVRRESA-N	0	3	300.381	2.685	20	30		DFEDHN
COCCN(CCc1cccc(C)n1)Cc1ccc(C#N)cc1	ZINC000515469688	429377622	/nfs/dbraw/zinc/37/76/22/429377622.db2.gz	YLXKJQNMCQGWSN-UHFFFAOYSA-N	0	3	309.413	2.953	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1(C)C	ZINC000516083136	429378854	/nfs/dbraw/zinc/37/88/54/429378854.db2.gz	NHSYJYSMZHQJEW-UHFFFAOYSA-N	0	3	309.360	2.686	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1	ZINC000516934211	429385603	/nfs/dbraw/zinc/38/56/03/429385603.db2.gz	FXLURLANUACBPA-KRWDZBQOSA-N	0	3	324.428	2.895	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1ccncc1C	ZINC000517361463	429388979	/nfs/dbraw/zinc/38/89/79/429388979.db2.gz	LFCRPWPOAYBROZ-SFHVURJKSA-N	0	3	312.413	2.648	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1	ZINC000491671455	429389439	/nfs/dbraw/zinc/38/94/39/429389439.db2.gz	SBDQYMPEGPAXLO-HOCLYGCPSA-N	0	3	317.820	2.550	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1C#N	ZINC000449553608	429447521	/nfs/dbraw/zinc/44/75/21/429447521.db2.gz	MEUPQBIMQSDJHH-VYDXJSESSA-N	0	3	300.402	2.550	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1nc2c(s1)CN(C(C)C)CC2	ZINC000449546797	429448573	/nfs/dbraw/zinc/44/85/73/429448573.db2.gz	DWMPQFYIIIQFHI-HIFRSBDPSA-N	0	3	321.490	2.733	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1	ZINC000427413414	429449979	/nfs/dbraw/zinc/44/99/79/429449979.db2.gz	MDOJVKKGRVNORL-XHDPSFHLSA-N	0	3	314.776	2.837	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000457398484	429456296	/nfs/dbraw/zinc/45/62/96/429456296.db2.gz	WQAZHEPJXMQVPU-KZNAEPCWSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1	ZINC000457440705	429465024	/nfs/dbraw/zinc/46/50/24/429465024.db2.gz	COVVHUVJYBMTTM-YLFCFFPRSA-N	0	3	308.466	2.594	20	30		DFEDHN
CC(C)(CNC(=O)c1ncc(C#N)cc1Cl)N1CCCCC1	ZINC000427691891	429465915	/nfs/dbraw/zinc/46/59/15/429465915.db2.gz	ZLMILCYABFAZLQ-UHFFFAOYSA-N	0	3	320.824	2.601	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H]1CCSc2ccc(Cl)cc21	ZINC000491804927	429412661	/nfs/dbraw/zinc/41/26/61/429412661.db2.gz	MYVVNYRAAMKYIZ-CYBMUJFWSA-N	0	3	308.834	2.606	20	30		DFEDHN
CN(CC#Cc1ccc(F)cc1)C1CCN(c2cnccn2)CC1	ZINC000366104588	429418863	/nfs/dbraw/zinc/41/88/63/429418863.db2.gz	QCWBMBJFVQOHOM-UHFFFAOYSA-N	0	3	324.403	2.568	20	30		DFEDHN
CN(C)C/C=C\C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000492381116	429525474	/nfs/dbraw/zinc/52/54/74/429525474.db2.gz	BIHSWUYOSPBCBA-YVMONPNESA-N	0	3	319.408	2.959	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(C(C)C)nc2sc(C)nn21	ZINC000449701859	429484536	/nfs/dbraw/zinc/48/45/36/429484536.db2.gz	XPCFWXKPLLVEPA-GFCCVEGCSA-N	0	3	308.451	2.639	20	30		DFEDHN
COc1cc(CNCCc2nnc(C(C)C)s2)ccc1C#N	ZINC000492206872	429486664	/nfs/dbraw/zinc/48/66/64/429486664.db2.gz	DZTYLGHWRRFMFS-UHFFFAOYSA-N	0	3	316.430	2.874	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCCCO1)C(C)C	ZINC000457566983	429487720	/nfs/dbraw/zinc/48/77/20/429487720.db2.gz	YOLFMPGGJFLNED-AEFFLSMTSA-N	0	3	308.466	2.760	20	30		DFEDHN
C[C@@H](Cc1cccc(F)c1)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000519824978	429491741	/nfs/dbraw/zinc/49/17/41/429491741.db2.gz	MDECXBQZRJBXMY-ZDUSSCGKSA-N	0	3	323.375	2.803	20	30		DFEDHN
CC1(C)CCCc2cc(C#N)c(N3CCN4CCC[C@H]4C3)nc21	ZINC000428116078	429491868	/nfs/dbraw/zinc/49/18/68/429491868.db2.gz	PIYDTORECLEUDP-INIZCTEOSA-N	0	3	310.445	2.852	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1c1ccccc1	ZINC000449759597	429499352	/nfs/dbraw/zinc/49/93/52/429499352.db2.gz	YUYPWLJFVNTYBE-RTBURBONSA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@H]1C[C@@H](O)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000449764681	429503580	/nfs/dbraw/zinc/50/35/80/429503580.db2.gz	CZWGLTNVMLOVDD-MAUKXSAKSA-N	0	3	324.428	2.666	20	30		DFEDHN
C[C@@](O)(CNCCSCc1ccccc1C#N)C(F)(F)F	ZINC000520567523	429519215	/nfs/dbraw/zinc/51/92/15/429519215.db2.gz	LDJPLFZUKSZOFZ-CYBMUJFWSA-N	0	3	318.364	2.694	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1[C@@H]1CCCO1	ZINC000366969513	429549337	/nfs/dbraw/zinc/54/93/37/429549337.db2.gz	MCHXMGHJECXKAD-KBPBESRZSA-N	0	3	319.430	2.592	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC(F)(F)C(F)(F)C1	ZINC000457927072	429549570	/nfs/dbraw/zinc/54/95/70/429549570.db2.gz	LVBMSTOKGLTRPO-GFCCVEGCSA-N	0	3	314.282	2.872	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2cccc(Cl)c2C#N)CC1	ZINC000450255788	429588103	/nfs/dbraw/zinc/58/81/03/429588103.db2.gz	DAAIIVSEGNOUEX-CYBMUJFWSA-N	0	3	306.841	2.650	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCCN(C3CCCC3)CC2)CC12CCCC2	ZINC000449911876	429537142	/nfs/dbraw/zinc/53/71/42/429537142.db2.gz	JJAQWLSJALZIMH-LJQANCHMSA-N	0	3	315.461	2.937	20	30		DFEDHN
C=CC(C)(C)C(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000450314414	429598175	/nfs/dbraw/zinc/59/81/75/429598175.db2.gz	BJLVRHDYDMDDLL-UHFFFAOYSA-N	0	3	301.434	2.969	20	30		DFEDHN
C[C@H]1CN(Cc2cc(C#N)ccc2Br)[C@@H](C)CN1C	ZINC000492720130	429600900	/nfs/dbraw/zinc/60/09/00/429600900.db2.gz	GRBIIOSZZAHEBH-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000450697945	429679168	/nfs/dbraw/zinc/67/91/68/429679168.db2.gz	OMXYTHDUTGRGLA-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000367614236	429687775	/nfs/dbraw/zinc/68/77/75/429687775.db2.gz	FXZJIZHIXOOGJD-JGGQBBKZSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000450762459	429693813	/nfs/dbraw/zinc/69/38/13/429693813.db2.gz	PQABTSJQXVEWRB-DKSSEZFCSA-N	0	3	311.429	2.563	20	30		DFEDHN
CCCN(C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000477260401	429718039	/nfs/dbraw/zinc/71/80/39/429718039.db2.gz	NPFPKIASZODRHO-UHFFFAOYSA-N	0	3	312.335	2.515	20	30		DFEDHN
CC(C#N)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1	ZINC000493244744	429720813	/nfs/dbraw/zinc/72/08/13/429720813.db2.gz	PXVYQCKCDBAHRN-GFCCVEGCSA-N	0	3	317.389	2.852	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000482640718	429726032	/nfs/dbraw/zinc/72/60/32/429726032.db2.gz	HQEHEKILVFREKQ-QGZVFWFLSA-N	0	3	301.434	2.564	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)c2ncc(Br)cc2C#N)C1	ZINC000450958729	429737681	/nfs/dbraw/zinc/73/76/81/429737681.db2.gz	WQYSMPSFHMTFDT-CYBMUJFWSA-N	0	3	323.238	2.635	20	30		DFEDHN
C=CCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCCCC1	ZINC000484494865	429740100	/nfs/dbraw/zinc/74/01/00/429740100.db2.gz	ZWHLNUJCRFHADF-SFHVURJKSA-N	0	3	303.450	2.863	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](Cc2ccccc2)C1	ZINC000527298415	429740217	/nfs/dbraw/zinc/74/02/17/429740217.db2.gz	UBLUXHBWDFXXLE-NVXWUHKLSA-N	0	3	311.429	2.502	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](Cc2ccccc2)C1	ZINC000527298417	429741534	/nfs/dbraw/zinc/74/15/34/429741534.db2.gz	UBLUXHBWDFXXLE-WBVHZDCISA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@H]1Oc1cccc(C)c1	ZINC000484641684	429742743	/nfs/dbraw/zinc/74/27/43/429742743.db2.gz	IQNKFHVFFOALDN-IAGOWNOFSA-N	0	3	302.418	2.577	20	30		DFEDHN
COc1ccc(CN2CC[C@H]2CNCc2ccc(C#N)cc2)cc1	ZINC000527775775	429796211	/nfs/dbraw/zinc/79/62/11/429796211.db2.gz	ULCWESYULFASGG-IBGZPJMESA-N	0	3	321.424	2.931	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1	ZINC000451108252	429769378	/nfs/dbraw/zinc/76/93/78/429769378.db2.gz	AGXKEPLBSSJQRB-STQMWFEESA-N	0	3	315.417	2.615	20	30		DFEDHN
CC1(C)CN(CCCC2(C#N)CCOCC2)[C@H]1[C@@H]1CCCO1	ZINC000368077735	429781396	/nfs/dbraw/zinc/78/13/96/429781396.db2.gz	YNKCMPOWOBWYJB-HOTGVXAUSA-N	0	3	306.450	2.976	20	30		DFEDHN
C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000493572303	429788873	/nfs/dbraw/zinc/78/88/73/429788873.db2.gz	JZAZYMJGFBEPCC-HOCLYGCPSA-N	0	3	310.344	2.800	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCCC[C@H]1C(=O)OC	ZINC000451237081	429793340	/nfs/dbraw/zinc/79/33/40/429793340.db2.gz	UIYPBNUKGVAJJQ-OAGGEKHMSA-N	0	3	324.465	2.511	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]2CNCc2cccc(C#N)c2)cc1	ZINC000527769993	429795418	/nfs/dbraw/zinc/79/54/18/429795418.db2.gz	ATRWNSDOYOGGSS-LJQANCHMSA-N	0	3	321.424	2.931	20	30		DFEDHN
CCn1nncc1CNC1CCC(C#N)(c2ccccc2)CC1	ZINC000527920503	429819598	/nfs/dbraw/zinc/81/95/98/429819598.db2.gz	PRWQJLJBEWHIFC-UHFFFAOYSA-N	0	3	309.417	2.792	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	ZINC000451477120	429833023	/nfs/dbraw/zinc/83/30/23/429833023.db2.gz	HEUATJHGBMAKDH-DJIMGWMZSA-N	0	3	300.402	2.860	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccc(F)c(F)c2)CC1	ZINC000493823063	429835878	/nfs/dbraw/zinc/83/58/78/429835878.db2.gz	NSJLVTNIFYJSHD-ALCCZGGFSA-N	0	3	318.367	2.582	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CC#N)[C@@H]1c1cccc(Cl)c1	ZINC000368382494	429840020	/nfs/dbraw/zinc/84/00/20/429840020.db2.gz	JCXVPUZRAIILPJ-CJNGLKHVSA-N	0	3	305.809	2.753	20	30		DFEDHN
N#Cc1nc(NC[C@@H]2CCN2C2CCCCC2)sc1Cl	ZINC000528117334	429850431	/nfs/dbraw/zinc/85/04/31/429850431.db2.gz	MKZUKFUENLOUNJ-NSHDSACASA-N	0	3	310.854	3.487	20	30		DFEDHN
CCc1csc([C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)n1	ZINC000528366246	429879488	/nfs/dbraw/zinc/87/94/88/429879488.db2.gz	ZMPDNXXIKQDQHP-UKRRQHHQSA-N	0	3	319.474	2.940	20	30		DFEDHN
N#Cc1ncccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000368675604	429885835	/nfs/dbraw/zinc/88/58/35/429885835.db2.gz	LVPUKTGRIWWZGI-QFBILLFUSA-N	0	3	304.397	2.664	20	30		DFEDHN
CCCOc1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CC1)C2	ZINC000528424214	429887741	/nfs/dbraw/zinc/88/77/41/429887741.db2.gz	LILVTJYVZMCCPK-KRWDZBQOSA-N	0	3	314.429	2.888	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(F)c(Cl)c2)CC1	ZINC000528450413	429890253	/nfs/dbraw/zinc/89/02/53/429890253.db2.gz	SDYYLQBGHUQWSI-UHFFFAOYSA-N	0	3	310.800	2.788	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)CC1	ZINC000528460627	429890629	/nfs/dbraw/zinc/89/06/29/429890629.db2.gz	ZKFDTRCSOICYTL-LPHOPBHVSA-N	0	3	312.413	2.563	20	30		DFEDHN
CC1(C)CN(C[C@H](O)CC2(C#N)CC2)CC[C@@H]1C(F)(F)F	ZINC000528478843	429891959	/nfs/dbraw/zinc/89/19/59/429891959.db2.gz	SKXXFNNWOSKMES-NEPJUHHUSA-N	0	3	304.356	2.952	20	30		DFEDHN
O=C1c2ccccc2C(=O)N1CC#CCN(C1CCC1)C1CCC1	ZINC000528513180	429895012	/nfs/dbraw/zinc/89/50/12/429895012.db2.gz	RTANVXYVYCRROP-UHFFFAOYSA-N	0	3	322.408	2.693	20	30		DFEDHN
Cc1nc([C@H]2CCCN(CCCC3(C#N)CCOCC3)C2)no1	ZINC000369202246	429919211	/nfs/dbraw/zinc/91/92/11/429919211.db2.gz	HLVYBYMIVJTYQS-HNNXBMFYSA-N	0	3	318.421	2.658	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CC#N)CC1	ZINC000573668791	429972407	/nfs/dbraw/zinc/97/24/07/429972407.db2.gz	RLDQXZKZGGGKGJ-KRWDZBQOSA-N	0	3	314.433	2.584	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000573780751	429981206	/nfs/dbraw/zinc/98/12/06/429981206.db2.gz	SHUILCVICDLTNJ-FHLIZLRMSA-N	0	3	311.429	2.652	20	30		DFEDHN
N#CC(C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)C(=O)N1CCCC1	ZINC000528914803	429933190	/nfs/dbraw/zinc/93/31/90/429933190.db2.gz	MKZSFZYZRIDQBG-HRCADAONSA-N	0	3	314.360	2.651	20	30		DFEDHN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1	ZINC000528915331	429933824	/nfs/dbraw/zinc/93/38/24/429933824.db2.gz	CGMOTNIDIIFWDB-RBSFLKMASA-N	0	3	302.349	2.553	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)C1CCc2ccccc2CC1	ZINC000528923183	429934215	/nfs/dbraw/zinc/93/42/15/429934215.db2.gz	FBRKCVIMMDTGAR-SFHVURJKSA-N	0	3	324.424	2.949	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@H](C[C@H]2CCOC2)C1	ZINC000369420310	429941808	/nfs/dbraw/zinc/94/18/08/429941808.db2.gz	AFLVZKACPNLVRV-IAGOWNOFSA-N	0	3	308.466	2.550	20	30		DFEDHN
C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000528995724	429946136	/nfs/dbraw/zinc/94/61/36/429946136.db2.gz	JLNWBYPJJFANGE-IEAZIUSSSA-N	0	3	310.397	2.646	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCCO[C@H]2CCC[C@H]21	ZINC000369457064	429947255	/nfs/dbraw/zinc/94/72/55/429947255.db2.gz	HVHCUIOXUZRVFF-KGLIPLIRSA-N	0	3	319.430	2.592	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1	ZINC000637117738	429986444	/nfs/dbraw/zinc/98/64/44/429986444.db2.gz	CACLJUDEPNPCCG-TWMKSMIVSA-N	0	3	323.481	2.624	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1(C#N)CC1)N(C)C	ZINC000574355920	430035611	/nfs/dbraw/zinc/03/56/11/430035611.db2.gz	QSPACBNFLVCIIF-ZBFHGGJFSA-N	0	3	314.433	2.589	20	30		DFEDHN
COc1ccccc1OCCNCc1ccc(C#N)c(OC)c1	ZINC000574390222	430036971	/nfs/dbraw/zinc/03/69/71/430036971.db2.gz	BRPWIGLJMVHUCI-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](CCO)c1ccc(Cl)c(F)c1	ZINC000639916531	430021062	/nfs/dbraw/zinc/02/10/62/430021062.db2.gz	NXLJVJRDCFQAGX-IUODEOHRSA-N	0	3	301.789	2.819	20	30		DFEDHN
CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529971416	430090858	/nfs/dbraw/zinc/09/08/58/430090858.db2.gz	VJWCOANRRANIJZ-NUJGCVRESA-N	0	3	300.402	2.831	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1	ZINC000530001360	430094648	/nfs/dbraw/zinc/09/46/48/430094648.db2.gz	ATGAFPSGCDZEJB-IXDOHACOSA-N	0	3	321.405	2.974	20	30		DFEDHN
N#CCC[C@H](C#N)CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000561845903	430101445	/nfs/dbraw/zinc/10/14/45/430101445.db2.gz	GLOKCJIJAJOOEA-GFCCVEGCSA-N	0	3	311.345	2.652	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC[C@H](C#N)CCC#N)C1CC1	ZINC000577004789	430109957	/nfs/dbraw/zinc/10/99/57/430109957.db2.gz	LWLZMLVSKMJOIN-HKUYNNGSSA-N	0	3	310.445	2.930	20	30		DFEDHN
N#CCC1(CNC[C@H](O)COCc2ccccc2Cl)CC1	ZINC000577276065	430112631	/nfs/dbraw/zinc/11/26/31/430112631.db2.gz	XPWXQJCACQOPPL-AWEZNQCLSA-N	0	3	308.809	2.501	20	30		DFEDHN
CCn1c2ccc(Cl)cc2nc1NC(=O)[C@@H](N)CCCC#N	ZINC000574809859	430052101	/nfs/dbraw/zinc/05/21/01/430052101.db2.gz	VWYGWNDBBFBFJP-NSHDSACASA-N	0	3	319.796	2.669	20	30		DFEDHN
N#Cc1ccc(CC(=O)NC[C@@H]2CCN2C2CCCCC2)cc1	ZINC000529718719	430057992	/nfs/dbraw/zinc/05/79/92/430057992.db2.gz	LHZWYDJNOVKURN-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
COCc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1C#N	ZINC000529817499	430070641	/nfs/dbraw/zinc/07/06/41/430070641.db2.gz	XLGRZMHDABKEDV-MCIONIFRSA-N	0	3	315.417	2.904	20	30		DFEDHN
CC1CC(C#N)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1	ZINC000532065424	430150426	/nfs/dbraw/zinc/15/04/26/430150426.db2.gz	HMODTWFVLVVPCH-RMXPPQQLSA-N	0	3	311.429	2.880	20	30		DFEDHN
N#Cc1c(NC(=O)CCN2C[C@H]3CCC[C@H]32)sc2c1CCC2	ZINC000533081601	430157135	/nfs/dbraw/zinc/15/71/35/430157135.db2.gz	MMPRZSSPGMJYLE-BXUZGUMPSA-N	0	3	315.442	2.921	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@]1(C)CCCc2ccccc21)C1CC1	ZINC000538707667	430174946	/nfs/dbraw/zinc/17/49/46/430174946.db2.gz	QSVFHHBBXPQVFZ-RBUKOAKNSA-N	0	3	311.429	2.636	20	30		DFEDHN
N#Cc1ccc2nc(NC[C@H]3CCCCN3C3CC3)ccc2c1	ZINC000579309367	430124272	/nfs/dbraw/zinc/12/42/72/430124272.db2.gz	UOOXVKJKXXNUAK-QGZVFWFLSA-N	0	3	306.413	3.535	20	30		DFEDHN
C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCC[C@H]1C	ZINC000580154156	430130174	/nfs/dbraw/zinc/13/01/74/430130174.db2.gz	NRHGKQFDLMIDST-RVKKMQEKSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCC[C@H]1C	ZINC000580154155	430130430	/nfs/dbraw/zinc/13/04/30/430130430.db2.gz	NRHGKQFDLMIDST-RKVPGOIHSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CCCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1	ZINC000580552668	430134241	/nfs/dbraw/zinc/13/42/41/430134241.db2.gz	REBUDIXDLABRKB-UHFFFAOYSA-N	0	3	300.328	2.961	20	30		DFEDHN
CN(C)C[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000563259399	430181429	/nfs/dbraw/zinc/18/14/29/430181429.db2.gz	COVIABUHIVLZFS-AWEZNQCLSA-N	0	3	307.825	2.795	20	30		DFEDHN
CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1	ZINC000564202463	430194024	/nfs/dbraw/zinc/19/40/24/430194024.db2.gz	KTJADFQJCVCZHX-CZUORRHYSA-N	0	3	304.825	2.976	20	30		DFEDHN
C=CCCCC[C@@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc2O1	ZINC000564964785	430201940	/nfs/dbraw/zinc/20/19/40/430201940.db2.gz	CNLXBMJDSPWQCZ-HUUCEWRRSA-N	0	3	323.458	2.946	20	30		DFEDHN
CC1(C)[C@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1O	ZINC000565159749	430204295	/nfs/dbraw/zinc/20/42/95/430204295.db2.gz	AJOHYIARUIUMKF-KGLIPLIRSA-N	0	3	313.319	2.686	20	30		DFEDHN
N#Cc1ccc(CCC(=O)NC[C@H]2CCCCN2C2CC2)cc1	ZINC000581404118	430204477	/nfs/dbraw/zinc/20/44/77/430204477.db2.gz	VCADUEYDUKARCI-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000542718647	430221740	/nfs/dbraw/zinc/22/17/40/430221740.db2.gz	STPYQANQGHFILL-UHFFFAOYSA-N	0	3	305.809	2.625	20	30		DFEDHN
CC1CCN([C@@H](CNc2ncncc2C#N)c2ccccc2)CC1	ZINC000566148434	430244402	/nfs/dbraw/zinc/24/44/02/430244402.db2.gz	BBICHJZUOWHAEV-SFHVURJKSA-N	0	3	321.428	2.655	20	30		DFEDHN
Cc1cc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)ccc1C#N	ZINC000582010705	430260005	/nfs/dbraw/zinc/26/00/05/430260005.db2.gz	AIKAIRRLFBUIFM-QGZVFWFLSA-N	0	3	311.429	2.603	20	30		DFEDHN
Cc1n[nH]c([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)n1	ZINC000566548307	430268425	/nfs/dbraw/zinc/26/84/25/430268425.db2.gz	HURFQDPESXZAIG-ZDUSSCGKSA-N	0	3	301.781	2.628	20	30		DFEDHN
Cc1nc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)n[nH]1	ZINC000566548307	430268429	/nfs/dbraw/zinc/26/84/29/430268429.db2.gz	HURFQDPESXZAIG-ZDUSSCGKSA-N	0	3	301.781	2.628	20	30		DFEDHN
Cc1nnc([C@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)[nH]1	ZINC000566548307	430268431	/nfs/dbraw/zinc/26/84/31/430268431.db2.gz	HURFQDPESXZAIG-ZDUSSCGKSA-N	0	3	301.781	2.628	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(O[C@@H]2CCOC2)c1	ZINC000567212410	430279470	/nfs/dbraw/zinc/27/94/70/430279470.db2.gz	PFGSSNBDOMXQHH-USXIJHARSA-N	0	3	300.402	2.945	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(O[C@H]2CCOC2)c1	ZINC000567212409	430280180	/nfs/dbraw/zinc/28/01/80/430280180.db2.gz	PFGSSNBDOMXQHH-UAGQMJEPSA-N	0	3	300.402	2.945	20	30		DFEDHN
COCC1(CCNC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000567237406	430281186	/nfs/dbraw/zinc/28/11/86/430281186.db2.gz	GNBFMNKOQFHTKC-MRXNPFEDSA-N	0	3	300.402	2.692	20	30		DFEDHN
CC[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000581721750	430234386	/nfs/dbraw/zinc/23/43/86/430234386.db2.gz	NMKBHYUSZUQLOZ-JKSUJKDBSA-N	0	3	320.458	2.748	20	30		DFEDHN
Cc1cc2sc(NC(=O)[C@@H](N)CCCC#N)nc2c(C)c1	ZINC000582357468	430292888	/nfs/dbraw/zinc/29/28/88/430292888.db2.gz	XLIXCRBHQHKASE-NSHDSACASA-N	0	3	302.403	2.873	20	30		DFEDHN
C=CCCCCCNC(=O)NC[C@H]1NCCc2ccccc21	ZINC000568245043	430338456	/nfs/dbraw/zinc/33/84/56/430338456.db2.gz	BJZKADUNAORHQF-QGZVFWFLSA-N	0	3	301.434	2.919	20	30		DFEDHN
N#Cc1ccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)s1	ZINC000546555735	430355458	/nfs/dbraw/zinc/35/54/58/430355458.db2.gz	IKBZNYLBIWDSNQ-QWRGUYRKSA-N	0	3	313.386	2.525	20	30		DFEDHN
Cc1csc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C#N	ZINC000583031778	430357683	/nfs/dbraw/zinc/35/76/83/430357683.db2.gz	BXOVWWAYXUXGMM-VXGBXAGGSA-N	0	3	306.435	2.875	20	30		DFEDHN
C=CCC1(C(=O)Nc2cccc3c2CCNC3)CCOCC1	ZINC000568500665	430363673	/nfs/dbraw/zinc/36/36/73/430363673.db2.gz	YJINXQAPWDHTDV-UHFFFAOYSA-N	0	3	300.402	2.644	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]c2nccnc12	ZINC000583193585	430372796	/nfs/dbraw/zinc/37/27/96/430372796.db2.gz	CYNGNNZYMQZKAB-INIZCTEOSA-N	0	3	303.369	2.948	20	30		DFEDHN
Cc1csc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1C#N	ZINC000583241742	430375440	/nfs/dbraw/zinc/37/54/40/430375440.db2.gz	UOWPELBSMKXHGQ-NWDGAFQWSA-N	0	3	304.419	2.629	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCCc1ccc(C)o1	ZINC000583495027	430401068	/nfs/dbraw/zinc/40/10/68/430401068.db2.gz	OCGWIJRVCCAKAV-KRWDZBQOSA-N	0	3	315.413	2.889	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)[C@H]1CN2CCC[C@H]2CO1	ZINC000635898269	430408742	/nfs/dbraw/zinc/40/87/42/430408742.db2.gz	YLWOTDCSTTXDJK-DOTOQJQBSA-N	0	3	300.402	2.607	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000638830073	430449026	/nfs/dbraw/zinc/44/90/26/430449026.db2.gz	LNUYKZFACKNHGO-LLVKDONJSA-N	0	3	317.355	2.512	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](CO)CC#CC)ccc1OC	ZINC000641768965	430466491	/nfs/dbraw/zinc/46/64/91/430466491.db2.gz	MUNCANVPSPKDRW-MRXNPFEDSA-N	0	3	303.402	2.514	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OC)c(O[C@@H](C)CC)c1	ZINC000641768553	430466908	/nfs/dbraw/zinc/46/69/08/430466908.db2.gz	CAOSDUJNZNFBDV-GOEBONIOSA-N	0	3	305.418	2.736	20	30		DFEDHN
CC[C@]1(C(C)C)C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000584346584	430476044	/nfs/dbraw/zinc/47/60/44/430476044.db2.gz	QRENQQHGSDMXNT-DLBZAZTESA-N	0	3	320.458	2.746	20	30		DFEDHN
CN(C)C[C@H](NC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000590366108	430485678	/nfs/dbraw/zinc/48/56/78/430485678.db2.gz	KJPXDXUAABICIQ-AWEZNQCLSA-N	0	3	305.809	2.753	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000569935941	430499717	/nfs/dbraw/zinc/49/97/17/430499717.db2.gz	CEDMBYSFMIXMQI-JCGIZDLHSA-N	0	3	311.429	2.510	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)n1	ZINC000596232558	430511517	/nfs/dbraw/zinc/51/15/17/430511517.db2.gz	VTRBCGXPOJXSFT-LIRRHRJNSA-N	0	3	323.444	3.322	20	30		DFEDHN
CN(Cc1ccc(Br)cc1)C[C@@H](O)CC1(C#N)CC1	ZINC000599257956	430530326	/nfs/dbraw/zinc/53/03/26/430530326.db2.gz	RSGFQARBYUYKSN-AWEZNQCLSA-N	0	3	323.234	2.936	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000552272017	430593108	/nfs/dbraw/zinc/59/31/08/430593108.db2.gz	BSHKSLHTXZPKAL-OAHLLOKOSA-N	0	3	322.412	2.512	20	30		DFEDHN
N#CC1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1	ZINC000571773557	430651891	/nfs/dbraw/zinc/65/18/91/430651891.db2.gz	GJHDJQPERPZUBS-QGZVFWFLSA-N	0	3	311.429	2.851	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3cccc(CC#N)c3)C2)C1	ZINC000571855605	430657868	/nfs/dbraw/zinc/65/78/68/430657868.db2.gz	KZPAQXDJEVNWDU-GOSISDBHSA-N	0	3	312.417	2.702	20	30		DFEDHN
CC(C)(CNCc1cnc2ccc(C#N)cn12)c1ccccn1	ZINC000571867252	430658795	/nfs/dbraw/zinc/65/87/95/430658795.db2.gz	JEJULHOLNXMNHP-UHFFFAOYSA-N	0	3	305.385	2.668	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN1CCC	ZINC000553692231	430622143	/nfs/dbraw/zinc/62/21/43/430622143.db2.gz	ZJILEQALAQFRLU-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1ncc(C#N)cc1C	ZINC000555284500	430664805	/nfs/dbraw/zinc/66/48/05/430664805.db2.gz	ANZDIZSGELIQMJ-UHFFFAOYSA-N	0	3	324.384	2.584	20	30		DFEDHN
CCC[C@@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000555665357	430672588	/nfs/dbraw/zinc/67/25/88/430672588.db2.gz	CMHMHNPQEFBQEZ-QJPTWQEYSA-N	0	3	319.371	2.704	20	30		DFEDHN
Cc1csc(NC(=O)NC2CCN(C3CC3)CC2)c1C#N	ZINC000555880610	430676214	/nfs/dbraw/zinc/67/62/14/430676214.db2.gz	PDIAHJXAVPFZPX-UHFFFAOYSA-N	0	3	304.419	2.677	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000639618644	430682463	/nfs/dbraw/zinc/68/24/63/430682463.db2.gz	QWLHNQDFTAFILJ-RTBURBONSA-N	0	3	303.446	2.977	20	30		DFEDHN
C[C@@H]1CCN(CCCSCC#N)C[C@@H]1C(=O)OC(C)(C)C	ZINC000572360244	430683747	/nfs/dbraw/zinc/68/37/47/430683747.db2.gz	NWVBTZIRDVWLSW-KGLIPLIRSA-N	0	3	312.479	2.933	20	30		DFEDHN
FC(F)C1CCN(CC#CCN2CCC(C(F)F)CC2)CC1	ZINC000556497804	430686554	/nfs/dbraw/zinc/68/65/54/430686554.db2.gz	UKYFBMOOBDQZIR-UHFFFAOYSA-N	0	3	320.374	2.944	20	30		DFEDHN
N#CCCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000572637099	430692833	/nfs/dbraw/zinc/69/28/33/430692833.db2.gz	OTEBNBWLBAWDAZ-UHFFFAOYSA-N	0	3	310.401	2.894	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000077497811	278253315	/nfs/dbraw/zinc/25/33/15/278253315.db2.gz	ACOYVHHPJREUKP-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
C=CCn1cc(C(=O)Nc2cccc(CN(CC)CC)c2)nn1	ZINC000648238420	430722441	/nfs/dbraw/zinc/72/24/41/430722441.db2.gz	FMSCKFWWMUBBBP-UHFFFAOYSA-N	0	3	313.405	2.558	20	30		DFEDHN
CC[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)cc1	ZINC000377076917	288049894	/nfs/dbraw/zinc/04/98/94/288049894.db2.gz	IQEBFVDEQMLPAD-FHWLQOOXSA-N	0	3	313.445	2.852	20	30		DFEDHN
C=C(CNC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1	ZINC000664899232	430774147	/nfs/dbraw/zinc/77/41/47/430774147.db2.gz	RXFIVKXLYHUDTK-INIZCTEOSA-N	0	3	301.434	2.872	20	30		DFEDHN
C=CCN(CC(=O)NCc1ccc(OC)c(OC)c1)C(C)(C)C	ZINC000661755158	430831335	/nfs/dbraw/zinc/83/13/35/430831335.db2.gz	MDJAFODQVMULIR-UHFFFAOYSA-N	0	3	320.433	2.607	20	30		DFEDHN
C=CCN(CCC(=O)NCC(=O)c1ccccc1)C(C)(C)C	ZINC000661760483	430833977	/nfs/dbraw/zinc/83/39/77/430833977.db2.gz	VOQHCYRGWPZGDB-UHFFFAOYSA-N	0	3	302.418	2.662	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O	ZINC000648464090	430796937	/nfs/dbraw/zinc/79/69/37/430796937.db2.gz	AQCYLLMOTJRVFS-OFQRWUPVSA-N	0	3	304.438	2.638	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2	ZINC000661836740	430858674	/nfs/dbraw/zinc/85/86/74/430858674.db2.gz	ACVUXKSLPATJFA-HZPDHXFCSA-N	0	3	320.477	2.903	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21	ZINC000121986688	278629132	/nfs/dbraw/zinc/62/91/32/278629132.db2.gz	PXNCGYPCDLCBGG-KRWDZBQOSA-N	0	3	319.408	3.000	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000661881846	430880036	/nfs/dbraw/zinc/88/00/36/430880036.db2.gz	URCSCLVTEQAKAU-IAGOWNOFSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(CCC)C1	ZINC000661953741	430904293	/nfs/dbraw/zinc/90/42/93/430904293.db2.gz	FSMZXCDXHCBBGX-AWEZNQCLSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1	ZINC000665393087	430921040	/nfs/dbraw/zinc/92/10/40/430921040.db2.gz	NAGUVOMXDAYQOC-PVAVHDDUSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)CC(F)F)CC1	ZINC000645212659	430937442	/nfs/dbraw/zinc/93/74/42/430937442.db2.gz	PECXCBAPCFVVFG-GFCCVEGCSA-N	0	3	303.397	2.617	20	30		DFEDHN
C=CCN(C(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC1	ZINC000659039192	430948509	/nfs/dbraw/zinc/94/85/09/430948509.db2.gz	ZKEXLKGITAZBIE-MRXNPFEDSA-N	0	3	301.390	2.530	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000649329703	431067429	/nfs/dbraw/zinc/06/74/29/431067429.db2.gz	AGKRSWYNBUAQHV-PWSUYJOCSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CCCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000665943318	431072748	/nfs/dbraw/zinc/07/27/48/431072748.db2.gz	RBDCKSARNZZWQW-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1	ZINC000665942272	431073291	/nfs/dbraw/zinc/07/32/91/431073291.db2.gz	DBMCVPMDPSMZDO-KRWDZBQOSA-N	0	3	316.449	2.654	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)NCCCNCc2cccnc2)C1	ZINC000659512437	431076058	/nfs/dbraw/zinc/07/60/58/431076058.db2.gz	BRNVTUXZXIWZDL-INIZCTEOSA-N	0	3	316.449	2.559	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccccc2F)nc1C	ZINC000655778671	431133043	/nfs/dbraw/zinc/13/30/43/431133043.db2.gz	RNSLBTKEWOVMOR-WBVHZDCISA-N	0	3	301.365	2.753	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]2CC)c(OC)c1	ZINC000292413198	335089453	/nfs/dbraw/zinc/08/94/53/335089453.db2.gz	MEYQMVHBUKXYLG-CVEARBPZSA-N	0	3	305.418	2.648	20	30		DFEDHN
C[C@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C	ZINC000187174354	279430351	/nfs/dbraw/zinc/43/03/51/279430351.db2.gz	CMOSHBXYHUSCKV-YWZLYKJASA-N	0	3	321.424	2.908	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000660708147	431559766	/nfs/dbraw/zinc/55/97/66/431559766.db2.gz	WAFFXDQKNHYCNS-KRWDZBQOSA-N	0	3	317.408	2.933	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)C2CCC(F)CC2)CC1	ZINC000660703839	431559927	/nfs/dbraw/zinc/55/99/27/431559927.db2.gz	IKZULUCBRLVITD-NFOMZHRRSA-N	0	3	311.445	2.853	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](C)c2cc3n(n2)CCCC3)CC1	ZINC000647288244	431539690	/nfs/dbraw/zinc/53/96/90/431539690.db2.gz	VKYBUJZGRULWPC-HNNXBMFYSA-N	0	3	302.466	2.911	20	30		DFEDHN
C=CCCn1cc(CNCCCCc2nc(C)cs2)nn1	ZINC000657343541	431689272	/nfs/dbraw/zinc/68/92/72/431689272.db2.gz	MOZDATNWHYQUSV-UHFFFAOYSA-N	0	3	305.451	2.732	20	30		DFEDHN
C=CCCn1cc(CN[C@H]2CCOC3(CCCCC3)C2)nn1	ZINC000657398491	431727590	/nfs/dbraw/zinc/72/75/90/431727590.db2.gz	BWZCNBXMGWDMQF-HNNXBMFYSA-N	0	3	304.438	2.826	20	30		DFEDHN
C=CCCOCCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000654319730	431749008	/nfs/dbraw/zinc/74/90/08/431749008.db2.gz	PMVJEUGQMWPQEE-DLBZAZTESA-N	0	3	308.466	2.883	20	30		DFEDHN
OC[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1	ZINC000661151961	431753781	/nfs/dbraw/zinc/75/37/81/431753781.db2.gz	SVZSNGLHVFJMFK-OAHLLOKOSA-N	0	3	313.319	2.687	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)nn1	ZINC000657438496	431754030	/nfs/dbraw/zinc/75/40/30/431754030.db2.gz	MPEXIGVORQDFCE-CRAIPNDOSA-N	0	3	313.449	2.635	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](CO)C1CCC1	ZINC000661153713	431754139	/nfs/dbraw/zinc/75/41/39/431754139.db2.gz	JQUBGNGYDRUCES-OAHLLOKOSA-N	0	3	320.458	2.654	20	30		DFEDHN
COC[C@@H](NCC#Cc1ccccc1Cl)C1CCOCC1	ZINC000661160541	431756292	/nfs/dbraw/zinc/75/62/92/431756292.db2.gz	ZCHQIEOJVVGVNU-QGZVFWFLSA-N	0	3	307.821	2.723	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C(F)(F)F)cnn1C	ZINC000657454281	431761047	/nfs/dbraw/zinc/76/10/47/431761047.db2.gz	IJMKUUHZNDCICH-ZWNOBZJWSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)cc1-n1cncn1)[C@@H](C)COC	ZINC000661239353	431791037	/nfs/dbraw/zinc/79/10/37/431791037.db2.gz	FXNLIAYINZLFIL-ZDUSSCGKSA-N	0	3	320.824	2.944	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1cn(Cc2cccnc2)nn1	ZINC000657530074	431797447	/nfs/dbraw/zinc/79/74/47/431797447.db2.gz	MLRHVJNFBDEGBT-FUHWJXTLSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=CCCn1cc(CNc2ccc(CN(C)C)cc2F)nn1	ZINC000657491220	431783763	/nfs/dbraw/zinc/78/37/63/431783763.db2.gz	SXHNYUQKNZBTAM-UHFFFAOYSA-N	0	3	303.385	2.667	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000661326039	431823187	/nfs/dbraw/zinc/82/31/87/431823187.db2.gz	OOSUDNMJIDCSGF-ZWKOTPCHSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCOCCCNCc1cnn(Cc2ccc(F)cc2)c1	ZINC000657658217	431833777	/nfs/dbraw/zinc/83/37/77/431833777.db2.gz	POZJBVJFRWCTQE-UHFFFAOYSA-N	0	3	303.381	2.753	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2OC)C1	ZINC000661376590	431836568	/nfs/dbraw/zinc/83/65/68/431836568.db2.gz	DEDVRIYXUZTAED-HNNXBMFYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCCc2ccccc2OC)C1	ZINC000661378399	431837210	/nfs/dbraw/zinc/83/72/10/431837210.db2.gz	FOAFOXYWUCUXJX-INIZCTEOSA-N	0	3	316.445	2.642	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2cc(F)cc(F)c2)C1	ZINC000661379679	431837639	/nfs/dbraw/zinc/83/76/39/431837639.db2.gz	GKUXWTZUQRDPII-CYBMUJFWSA-N	0	3	308.372	2.869	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(C#N)ccn1)N(C)C	ZINC000357851343	281389083	/nfs/dbraw/zinc/38/90/83/281389083.db2.gz	MHIPZHLUGITLKI-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)CCN1C	ZINC000157555571	295350205	/nfs/dbraw/zinc/35/02/05/295350205.db2.gz	MYZPGFQZSFRSNA-BXUZGUMPSA-N	0	3	305.809	2.766	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)NCc1ccc(CN(C)C)cc1	ZINC000157990460	295356518	/nfs/dbraw/zinc/35/65/18/295356518.db2.gz	BIRZXTGRILWLQB-UHFFFAOYSA-N	0	3	307.397	2.858	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c(Cl)c1	ZINC000158194954	295359647	/nfs/dbraw/zinc/35/96/47/295359647.db2.gz	ASYOQPHWNCTRMK-CABCVRRESA-N	0	3	317.820	2.910	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000158643877	295365511	/nfs/dbraw/zinc/36/55/11/295365511.db2.gz	UDBBFGJDNVIJAK-ABAIWWIYSA-N	0	3	305.809	2.670	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@@]1(CO)CCCc2ccccc21	ZINC000440481821	297153916	/nfs/dbraw/zinc/15/39/16/297153916.db2.gz	NPBGZJNSUWNMEO-HXUWFJFHSA-N	0	3	322.408	2.751	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)c(F)c1	ZINC000538508375	301322449	/nfs/dbraw/zinc/32/24/49/301322449.db2.gz	KFQIVSSYIJQSKK-GLQYFDAESA-N	0	3	324.421	2.704	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)s1	ZINC000562738879	301997443	/nfs/dbraw/zinc/99/74/43/301997443.db2.gz	MQMFQSYGAVKWCT-WBVHZDCISA-N	0	3	311.410	2.729	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@H](c4ccc(F)cc4)C3)cnc12	ZINC000563154351	302041548	/nfs/dbraw/zinc/04/15/48/302041548.db2.gz	MBUVQJWHTSNJCJ-HNNXBMFYSA-N	0	3	321.359	2.730	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@H]3CCCOC3)n2c1	ZINC000563151544	302041660	/nfs/dbraw/zinc/04/16/60/302041660.db2.gz	YCLGFCKBPYIKCQ-DOTOQJQBSA-N	0	3	310.401	2.597	20	30		DFEDHN
C[C@@H]1CCN(c2ccc(C#N)c(N)n2)CCN1Cc1ccccc1	ZINC000563976818	302112927	/nfs/dbraw/zinc/11/29/27/302112927.db2.gz	UVLDWAPUIDWQPJ-OAHLLOKOSA-N	0	3	321.428	2.636	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN1CCC[C@@H]1c1ccsc1)C2	ZINC000564989464	302179489	/nfs/dbraw/zinc/17/94/89/302179489.db2.gz	MGTIHVHEABBTFI-IUODEOHRSA-N	0	3	313.430	2.695	20	30		DFEDHN
Cc1cc(CN2CCC(N3CCOC[C@@H]3C)CC2)ccc1C#N	ZINC000565175856	302202029	/nfs/dbraw/zinc/20/20/29/302202029.db2.gz	XZVOFHGGKNIFDA-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
C[C@]1(NCc2cnc3c(C#N)cnn3c2)CCCc2ccccc21	ZINC000566245873	302269721	/nfs/dbraw/zinc/26/97/21/302269721.db2.gz	XLDGKNPYJYGDIT-IBGZPJMESA-N	0	3	317.396	2.942	20	30		DFEDHN
CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000566799914	302312741	/nfs/dbraw/zinc/31/27/41/302312741.db2.gz	MKEORJAOJQRBST-YGRLFVJLSA-N	0	3	323.462	2.562	20	30		DFEDHN
CC(C)(C)CCCCNCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000566968250	302326115	/nfs/dbraw/zinc/32/61/15/302326115.db2.gz	LEKOMYHIKZXSQB-UHFFFAOYSA-N	0	3	323.462	2.533	20	30		DFEDHN
N#Cc1cccc(CNCCNC(=O)c2ccccc2Cl)c1	ZINC000172122693	315942638	/nfs/dbraw/zinc/94/26/38/315942638.db2.gz	ZALDCYKFIZERTM-UHFFFAOYSA-N	0	3	313.788	2.731	20	30		DFEDHN
CN(C)CCOc1ccccc1CNCc1cc(C#N)cs1	ZINC000177692885	315985099	/nfs/dbraw/zinc/98/50/99/315985099.db2.gz	PODRKYIVHNBWPU-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
COC[C@@H](C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000187086903	316205496	/nfs/dbraw/zinc/20/54/96/316205496.db2.gz	ZQOZMXVSNKZGIY-HNNXBMFYSA-N	0	3	324.428	2.511	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000188132608	316216930	/nfs/dbraw/zinc/21/69/30/316216930.db2.gz	IIIIZUFPRVDILB-OAHLLOKOSA-N	0	3	311.429	2.580	20	30		DFEDHN
Cc1cnc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000574633648	318029408	/nfs/dbraw/zinc/02/94/08/318029408.db2.gz	FRJVBHGIYQAJJH-QGZVFWFLSA-N	0	3	322.412	2.661	20	30		DFEDHN
N#Cc1cccc(CCNC(=O)Nc2cccc3c2CCNC3)c1	ZINC000576371993	318122511	/nfs/dbraw/zinc/12/25/11/318122511.db2.gz	UFCGVBMUJUAQGH-UHFFFAOYSA-N	0	3	320.396	2.568	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CCN(C2CC2)C1	ZINC000576435817	318125566	/nfs/dbraw/zinc/12/55/66/318125566.db2.gz	KAJAPHZDFFTHQL-LBPRGKRZSA-N	0	3	317.820	2.768	20	30		DFEDHN
N#Cc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c(Cl)c1	ZINC000578169592	318242570	/nfs/dbraw/zinc/24/25/70/318242570.db2.gz	WCLCYMDZTPBGGY-SJORKVTESA-N	0	3	320.820	2.621	20	30		DFEDHN
CO[C@@H]1COC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000578234959	318247286	/nfs/dbraw/zinc/24/72/86/318247286.db2.gz	BPAWERYWKXJIQC-RTBURBONSA-N	0	3	308.381	2.729	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000579249607	318318039	/nfs/dbraw/zinc/31/80/39/318318039.db2.gz	SIWBYLGWLHZISR-BFYDXBDKSA-N	0	3	315.373	2.592	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1	ZINC000580198178	318382811	/nfs/dbraw/zinc/38/28/11/318382811.db2.gz	UWDRGYFRWOOSNL-DGCLKSJQSA-N	0	3	311.288	2.716	20	30		DFEDHN
CC(C)COC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000194539641	323269896	/nfs/dbraw/zinc/26/98/96/323269896.db2.gz	HMWONCMBONZFQW-GOSISDBHSA-N	0	3	302.418	2.556	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2ccc(C#N)o2)C1	ZINC000382485018	323300737	/nfs/dbraw/zinc/30/07/37/323300737.db2.gz	ZCILXYREYVMAPC-STQMWFEESA-N	0	3	319.405	2.934	20	30		DFEDHN
C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000389138829	323334070	/nfs/dbraw/zinc/33/40/70/323334070.db2.gz	OXUPXHZOGOFNEL-GOEBONIOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](CCC1CC1)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000398080127	323356455	/nfs/dbraw/zinc/35/64/55/323356455.db2.gz	LXUJBMVWXTXQDL-ZDUSSCGKSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)cn1	ZINC000399587550	323359419	/nfs/dbraw/zinc/35/94/19/323359419.db2.gz	PJEUVVDJTRAQKD-IFXJQAMLSA-N	0	3	306.413	2.616	20	30		DFEDHN
C[C@]1(CNc2ccncc2C#N)CCCN1Cc1ccccc1	ZINC000399432054	323359913	/nfs/dbraw/zinc/35/99/13/323359913.db2.gz	IMIZGZOZACAIQR-LJQANCHMSA-N	0	3	306.413	2.842	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000581721749	323564260	/nfs/dbraw/zinc/56/42/60/323564260.db2.gz	NMKBHYUSZUQLOZ-HZPDHXFCSA-N	0	3	320.458	2.748	20	30		DFEDHN
C=C(C)[C@@H](NCCCN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187759941	331527361	/nfs/dbraw/zinc/52/73/61/331527361.db2.gz	TXZMHHFDYVEPLH-QGZVFWFLSA-N	0	3	310.388	2.894	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425002124	332070720	/nfs/dbraw/zinc/07/07/20/332070720.db2.gz	FTFYJASHEIANAL-SCTDSRPQSA-N	0	3	311.429	2.659	20	30		DFEDHN
CCN(CC#N)Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000092398969	332125660	/nfs/dbraw/zinc/12/56/60/332125660.db2.gz	ZNCFMWPHKDXYEO-UHFFFAOYSA-N	0	3	300.450	2.562	20	30		DFEDHN
C=CC(C)(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1	ZINC000569554169	332137274	/nfs/dbraw/zinc/13/72/74/332137274.db2.gz	FJSVPZRIOOUBJV-UHFFFAOYSA-N	0	3	320.481	2.682	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](N)c1ccccc1)C(C)C	ZINC000236687053	332201982	/nfs/dbraw/zinc/20/19/82/332201982.db2.gz	ROFPEHHTRIIFAM-QZTJIDSGSA-N	0	3	315.461	2.501	20	30		DFEDHN
C#CCNC(=O)CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1	ZINC000292793404	335095266	/nfs/dbraw/zinc/09/52/66/335095266.db2.gz	LPVYZVFEDXVVMZ-GOSISDBHSA-N	0	3	309.413	2.834	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000448031814	332253578	/nfs/dbraw/zinc/25/35/78/332253578.db2.gz	SCMHLGPFIHSAIG-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000111306465	332303669	/nfs/dbraw/zinc/30/36/69/332303669.db2.gz	RWKSLIWIWRXOPQ-ZFWWWQNUSA-N	0	3	319.836	2.890	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)cc1	ZINC000293127240	335100893	/nfs/dbraw/zinc/10/08/93/335100893.db2.gz	IPNLBIHJPRQLIT-QFBILLFUSA-N	0	3	312.457	2.789	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc3c(cn2)CCC3)CC1	ZINC000560440290	332339984	/nfs/dbraw/zinc/33/99/84/332339984.db2.gz	MKBIJQAMTYJFSY-UHFFFAOYSA-N	0	3	314.433	2.732	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCC[S@@](=O)C(C)(C)C)cc1	ZINC000116921804	332343764	/nfs/dbraw/zinc/34/37/64/332343764.db2.gz	KDBQGIDZWPZXEC-QFIPXVFZSA-N	0	3	321.490	2.673	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000583358230	332349868	/nfs/dbraw/zinc/34/98/68/332349868.db2.gz	JBMSSUMSNGIKKS-ZWKOTPCHSA-N	0	3	313.445	2.861	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000583358229	332350019	/nfs/dbraw/zinc/35/00/19/332350019.db2.gz	JBMSSUMSNGIKKS-ROUUACIJSA-N	0	3	313.445	2.861	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(CC#N)cc1	ZINC000118797005	332356233	/nfs/dbraw/zinc/35/62/33/332356233.db2.gz	MSISGGGOSBWANT-OAHLLOKOSA-N	0	3	300.406	2.558	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C2CCOCC2)CC1	ZINC000153502847	332386514	/nfs/dbraw/zinc/38/65/14/332386514.db2.gz	FBLLTPNPFZAMEB-MRXNPFEDSA-N	0	3	320.477	2.714	20	30		DFEDHN
C=C(C)CN(CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000293362667	335107919	/nfs/dbraw/zinc/10/79/19/335107919.db2.gz	FEUOJRUPZVCMLQ-QGZVFWFLSA-N	0	3	307.434	2.513	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cccc(Br)c1OC	ZINC000358984617	332389497	/nfs/dbraw/zinc/38/94/97/332389497.db2.gz	JWETUUVIPBHYIC-NSHDSACASA-N	0	3	314.223	2.732	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000293507537	335111472	/nfs/dbraw/zinc/11/14/72/335111472.db2.gz	HUGPHGLPCAFAQB-OAHLLOKOSA-N	0	3	323.396	2.664	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000157618492	332533092	/nfs/dbraw/zinc/53/30/92/332533092.db2.gz	IGFXCEPCLZECOW-FUHWJXTLSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1	ZINC000105905324	332963660	/nfs/dbraw/zinc/96/36/60/332963660.db2.gz	CNIVTIWBHHKGEB-QGZVFWFLSA-N	0	3	324.428	2.800	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000567708073	333009482	/nfs/dbraw/zinc/00/94/82/333009482.db2.gz	SZXSMFQWLWBVFQ-JKSUJKDBSA-N	0	3	309.841	2.587	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CO)CC2)cc1OC	ZINC000293987670	335116467	/nfs/dbraw/zinc/11/64/67/335116467.db2.gz	LMQYJLCJHGYPGJ-HNNXBMFYSA-N	0	3	305.418	2.854	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(Cl)cc2cccnc21	ZINC000294017875	335116904	/nfs/dbraw/zinc/11/69/04/335116904.db2.gz	QGNQGAPCWXSPGE-UHFFFAOYSA-N	0	3	315.804	2.573	20	30		DFEDHN
N#CCCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000170886781	333041961	/nfs/dbraw/zinc/04/19/61/333041961.db2.gz	XEDXLECCTXAWGQ-QGZVFWFLSA-N	0	3	314.433	2.817	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)NCCCCC#N)CC1	ZINC000171449725	333048613	/nfs/dbraw/zinc/04/86/13/333048613.db2.gz	DABLKECUEDWOAW-UHFFFAOYSA-N	0	3	318.421	2.579	20	30		DFEDHN
N#CCCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000171742323	333053643	/nfs/dbraw/zinc/05/36/43/333053643.db2.gz	MXYPYRQLMNUSKP-QGZVFWFLSA-N	0	3	314.433	2.644	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1	ZINC000172414650	333062810	/nfs/dbraw/zinc/06/28/10/333062810.db2.gz	DXPPZAFQGGIMEU-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
N#CCCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1	ZINC000518772332	333086667	/nfs/dbraw/zinc/08/66/67/333086667.db2.gz	NHIJQKQCLAZAKK-UHFFFAOYSA-N	0	3	313.380	2.922	20	30		DFEDHN
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCC(C)(C)C#N	ZINC000174842929	333091578	/nfs/dbraw/zinc/09/15/78/333091578.db2.gz	TVTWMOUHFSENEI-ZDUSSCGKSA-N	0	3	323.462	2.657	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)NCCCCC#N)CN1Cc1ccccc1	ZINC000176590463	333115634	/nfs/dbraw/zinc/11/56/34/333115634.db2.gz	KODCLUIIQAUDIQ-NVXWUHKLSA-N	0	3	314.433	2.642	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCC1	ZINC000114643798	333143852	/nfs/dbraw/zinc/14/38/52/333143852.db2.gz	DCIIBVAXTKIRGH-KRWDZBQOSA-N	0	3	311.429	2.851	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)[C@@H](C)c1ccccc1	ZINC000181536060	333169980	/nfs/dbraw/zinc/16/99/80/333169980.db2.gz	XDYGABYNDRQKSZ-XHSDSOJGSA-N	0	3	301.434	2.776	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cc(C)cc(C)c1	ZINC000182895435	333181163	/nfs/dbraw/zinc/18/11/63/333181163.db2.gz	CZHJPVILSRSMBD-HZPDHXFCSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000497170557	333199674	/nfs/dbraw/zinc/19/96/74/333199674.db2.gz	RZEAFNAKLPUOJI-ILXRZTDVSA-N	0	3	312.454	2.691	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000185712427	333212587	/nfs/dbraw/zinc/21/25/87/333212587.db2.gz	TUVXOLXJPIKWOZ-QZTJIDSGSA-N	0	3	311.429	2.981	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000185880770	333215521	/nfs/dbraw/zinc/21/55/21/333215521.db2.gz	FQLHWMLKUQXEBZ-KCQAQPDRSA-N	0	3	306.431	2.823	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000185334966	335128103	/nfs/dbraw/zinc/12/81/03/335128103.db2.gz	AATBROVEMQSTOL-OAHLLOKOSA-N	0	3	304.434	2.846	20	30		DFEDHN
C#C[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000185329954	335128114	/nfs/dbraw/zinc/12/81/14/335128114.db2.gz	YIYZIVHLCUOLPU-XJKSGUPXSA-N	0	3	324.346	2.579	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000294729739	335129005	/nfs/dbraw/zinc/12/90/05/335129005.db2.gz	XOSDFKFYBLRLNZ-KRWDZBQOSA-N	0	3	315.461	2.964	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000364117936	333240935	/nfs/dbraw/zinc/24/09/35/333240935.db2.gz	FECOCHMDDWAIMO-MAZHCROVSA-N	0	3	304.821	2.704	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H](CC(C)C)CN(C)C	ZINC000497397402	333246755	/nfs/dbraw/zinc/24/67/55/333246755.db2.gz	PLCSNGIFUNAGRR-INIZCTEOSA-N	0	3	321.465	2.996	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@](C)(COC)C2)cc(OC)c1O	ZINC000295028978	335129745	/nfs/dbraw/zinc/12/97/45/335129745.db2.gz	CZWRBHWOAKOJFK-GOSISDBHSA-N	0	3	305.418	2.988	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H](C(=O)N(C)CC)C(C)C)cc1	ZINC000294912432	335130422	/nfs/dbraw/zinc/13/04/22/335130422.db2.gz	AGQJZPMMFLCXPO-SFHVURJKSA-N	0	3	316.445	2.681	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1	ZINC000364198443	333271484	/nfs/dbraw/zinc/27/14/84/333271484.db2.gz	ZYYSABCOPLMJGS-SJORKVTESA-N	0	3	302.393	2.847	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)S[C@@H](C)C1	ZINC000525785874	333311296	/nfs/dbraw/zinc/31/12/96/333311296.db2.gz	HGIOYFPTNBMOOW-YQQAZPJKSA-N	0	3	321.486	2.981	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000111258718	333328393	/nfs/dbraw/zinc/32/83/93/333328393.db2.gz	HGPWSTXKDHCVKA-CQSZACIVSA-N	0	3	302.418	2.598	20	30		DFEDHN
C#CCC(C)(C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000364706716	333329638	/nfs/dbraw/zinc/32/96/38/333329638.db2.gz	OFBMCSCEAIDUQE-IRXDYDNUSA-N	0	3	313.445	2.582	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2ccc(C)n2)CC1	ZINC000365000932	333333990	/nfs/dbraw/zinc/33/39/90/333333990.db2.gz	LRNKRWFRQAVPLY-MRXNPFEDSA-N	0	3	318.465	2.642	20	30		DFEDHN
C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000119340414	333343035	/nfs/dbraw/zinc/34/30/35/333343035.db2.gz	UVRANXMESACQTA-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCNC(=O)CC1	ZINC000295638520	335136366	/nfs/dbraw/zinc/13/63/66/335136366.db2.gz	YDPFCICWRHLSRM-MRXNPFEDSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CCn1c(CC)nnc1N1CCN(CCC(C)(C)C)CC1	ZINC000521405654	333370545	/nfs/dbraw/zinc/37/05/45/333370545.db2.gz	WPIYGHXDPGPYJW-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C	ZINC000337414037	333448514	/nfs/dbraw/zinc/44/85/14/333448514.db2.gz	OPGYADDOPMGDGW-IUODEOHRSA-N	0	3	321.396	2.513	20	30		DFEDHN
C[C@@H]1C[C@]1(NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000337432810	333449215	/nfs/dbraw/zinc/44/92/15/333449215.db2.gz	GSPSRELJGGKGFB-CXAGYDPISA-N	0	3	319.836	2.927	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN(C2CCCC2)CC1	ZINC000337869879	333461898	/nfs/dbraw/zinc/46/18/98/333461898.db2.gz	UDMSZWUMZYKLMZ-UHFFFAOYSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)onc1CC)C(C)C	ZINC000338141423	333472180	/nfs/dbraw/zinc/47/21/80/333472180.db2.gz	BDILFKACRCWZRV-INIZCTEOSA-N	0	3	319.449	2.974	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C12CCC2	ZINC000296265779	335142824	/nfs/dbraw/zinc/14/28/24/335142824.db2.gz	OHHHSCRZKCWAMM-XHSDSOJGSA-N	0	3	306.450	2.513	20	30		DFEDHN
CC1CCN(CCN2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1	ZINC000366071658	333491143	/nfs/dbraw/zinc/49/11/43/333491143.db2.gz	FLMBVJJXWZUILX-MSOLQXFVSA-N	0	3	305.466	2.646	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(n3cc(Br)cn3)CC2)C1	ZINC000338991702	333504079	/nfs/dbraw/zinc/50/40/79/333504079.db2.gz	COKCRBSJFCVSGN-SMDDNHRTSA-N	0	3	323.238	2.975	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1	ZINC000339027198	333506472	/nfs/dbraw/zinc/50/64/72/333506472.db2.gz	BHKMMFXFCXSMHS-QAPCUYQASA-N	0	3	323.440	2.980	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)C1	ZINC000339064553	333507852	/nfs/dbraw/zinc/50/78/52/333507852.db2.gz	MFFWLZTXWITHAV-BRWVUGGUSA-N	0	3	315.461	2.793	20	30		DFEDHN
CCNC(=O)[C@H](NCc1cccc(OCCCC#N)c1)C(C)C	ZINC000339430860	333524672	/nfs/dbraw/zinc/52/46/72/333524672.db2.gz	BYUKPQBHOGBDAI-QGZVFWFLSA-N	0	3	317.433	2.619	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000320811013	335146025	/nfs/dbraw/zinc/14/60/25/335146025.db2.gz	XCDKIALTXHSFHY-OCCSQVGLSA-N	0	3	309.406	2.690	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1ccccc1F)C(C)C	ZINC000297216788	335151576	/nfs/dbraw/zinc/15/15/76/335151576.db2.gz	DXJNWUJOUWASLI-UHFFFAOYSA-N	0	3	319.424	2.701	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000297224960	335152045	/nfs/dbraw/zinc/15/20/45/335152045.db2.gz	FLSXSJMCAGOVIF-MRXNPFEDSA-N	0	3	319.474	2.676	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@@H](C)CCC#N)CC1	ZINC000411279931	333648804	/nfs/dbraw/zinc/64/88/04/333648804.db2.gz	SJYZWLKCLQETMC-HNNXBMFYSA-N	0	3	300.402	2.885	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](c1ccccc1)N(C)C	ZINC000425781761	333650401	/nfs/dbraw/zinc/65/04/01/333650401.db2.gz	GHAHOAXQEOCYRD-XJNFMUPTSA-N	0	3	314.433	2.669	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000297291492	335152657	/nfs/dbraw/zinc/15/26/57/335152657.db2.gz	HAPFIMXXHDBKFG-HNNXBMFYSA-N	0	3	307.463	2.887	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C)cc1	ZINC000343383847	335161126	/nfs/dbraw/zinc/16/11/26/335161126.db2.gz	IVSBEDJQGAPBJP-WMZOPIPTSA-N	0	3	313.401	2.605	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)CC1	ZINC000413232145	333838935	/nfs/dbraw/zinc/83/89/35/333838935.db2.gz	GMFSHOCKJVJBLE-NVXWUHKLSA-N	0	3	305.466	2.762	20	30		DFEDHN
CC(=O)NCCc1ccc([C@H](C)NCC(C)(C)CC#N)cc1	ZINC000414164938	333916056	/nfs/dbraw/zinc/91/60/56/333916056.db2.gz	KYEMODCUYRYONT-AWEZNQCLSA-N	0	3	301.434	2.956	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1CC(F)F	ZINC000343470016	335167456	/nfs/dbraw/zinc/16/74/56/335167456.db2.gz	XQWCBRPUSBQPGU-HUUCEWRRSA-N	0	3	322.355	2.642	20	30		DFEDHN
Cn1nccc1C1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000264559041	333957909	/nfs/dbraw/zinc/95/79/09/333957909.db2.gz	NUUVITCDPKQZMT-UHFFFAOYSA-N	0	3	310.401	2.702	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)N(C)C[C@H](C)C#N)c1ccccc1	ZINC000265115006	333963284	/nfs/dbraw/zinc/96/32/84/333963284.db2.gz	XZGAAQIISPPSPH-HUUCEWRRSA-N	0	3	316.449	2.917	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000265115004	333963297	/nfs/dbraw/zinc/96/32/97/333963297.db2.gz	XZGAAQIISPPSPH-GJZGRUSLSA-N	0	3	316.449	2.917	20	30		DFEDHN
C=CCCN(C)Cc1ccccc1OCC(=O)NCC1CC1	ZINC000343489420	335169151	/nfs/dbraw/zinc/16/91/51/335169151.db2.gz	LADKVHBZLMUSQW-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
COc1ccc(CN2CCCN(C)CC2)cc1OCCCC#N	ZINC000269369667	334000853	/nfs/dbraw/zinc/00/08/53/334000853.db2.gz	SLLNABALTHSUSN-UHFFFAOYSA-N	0	3	317.433	2.515	20	30		DFEDHN
C=CCOc1cccc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c1	ZINC000414553806	334016290	/nfs/dbraw/zinc/01/62/90/334016290.db2.gz	GCRGDOKUGCMHLC-INIZCTEOSA-N	0	3	302.418	2.740	20	30		DFEDHN
CCn1cnnc1CNC1CCC(C#N)(c2ccccc2)CC1	ZINC000271067772	334017889	/nfs/dbraw/zinc/01/78/89/334017889.db2.gz	JZBMIWJEFIBJCV-UHFFFAOYSA-N	0	3	309.417	2.792	20	30		DFEDHN
CO[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000271178228	334019645	/nfs/dbraw/zinc/01/96/45/334019645.db2.gz	KFRKDGCMWXOROL-KRWDZBQOSA-N	0	3	310.401	2.684	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1n1ccnc1	ZINC000271283046	334020680	/nfs/dbraw/zinc/02/06/80/334020680.db2.gz	LBEFZIDDMNKOHD-QAPCUYQASA-N	0	3	310.401	2.869	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)cc1C	ZINC000271736944	334025987	/nfs/dbraw/zinc/02/59/87/334025987.db2.gz	HSTCSNJTTXNIAH-HOCLYGCPSA-N	0	3	301.434	2.962	20	30		DFEDHN
C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000271888495	334028248	/nfs/dbraw/zinc/02/82/48/334028248.db2.gz	RHYSHNJEMGCNFT-ZWNOBZJWSA-N	0	3	302.296	2.553	20	30		DFEDHN
CN1CC=C(CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000271906690	334028458	/nfs/dbraw/zinc/02/84/58/334028458.db2.gz	PQJDRJFHKXEBJD-QGZVFWFLSA-N	0	3	312.417	2.593	20	30		DFEDHN
C[C@@H](O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000272564176	334037427	/nfs/dbraw/zinc/03/74/27/334037427.db2.gz	USQKIYCMDOZQDH-NVXWUHKLSA-N	0	3	324.428	2.666	20	30		DFEDHN
Cc1ccc(CN(CCO)Cc2ccc(OCC#N)cc2)cc1	ZINC000272930567	334041142	/nfs/dbraw/zinc/04/11/42/334041142.db2.gz	HGPRBGXXKFXMAE-UHFFFAOYSA-N	0	3	310.397	2.892	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273622468	334049021	/nfs/dbraw/zinc/04/90/21/334049021.db2.gz	VXXAFRAAAQLREJ-NVXWUHKLSA-N	0	3	314.433	2.642	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1F)C(=O)CC(C)(C)C#N	ZINC000278305162	334094833	/nfs/dbraw/zinc/09/48/33/334094833.db2.gz	IJZMUQRIAFYZSW-UHFFFAOYSA-N	0	3	305.397	2.656	20	30		DFEDHN
C[C@H](CC#N)N(C)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000278636562	334098921	/nfs/dbraw/zinc/09/89/21/334098921.db2.gz	OQBYQKGKJPCXPY-AEFFLSMTSA-N	0	3	301.434	2.511	20	30		DFEDHN
C[C@@H](CC#N)N(C)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000278636568	334098952	/nfs/dbraw/zinc/09/89/52/334098952.db2.gz	OQBYQKGKJPCXPY-FUHWJXTLSA-N	0	3	301.434	2.511	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)CC(C)(C)C#N)N(C)C)cc1	ZINC000279375283	334108252	/nfs/dbraw/zinc/10/82/52/334108252.db2.gz	XKJUMXMZWDZZKR-MRXNPFEDSA-N	0	3	301.434	2.908	20	30		DFEDHN
Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)CCCC#N	ZINC000279382522	334108559	/nfs/dbraw/zinc/10/85/59/334108559.db2.gz	SUIFMJMXNZKDTD-KBPBESRZSA-N	0	3	310.442	2.600	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000279993488	334113629	/nfs/dbraw/zinc/11/36/29/334113629.db2.gz	RQIFODAPEQSTNX-RHSMWYFYSA-N	0	3	313.445	2.946	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038326	334113855	/nfs/dbraw/zinc/11/38/55/334113855.db2.gz	VHOZFLBPVNUKDG-CXAGYDPISA-N	0	3	311.429	2.700	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038343	334113891	/nfs/dbraw/zinc/11/38/91/334113891.db2.gz	VHOZFLBPVNUKDG-GUYCJALGSA-N	0	3	311.429	2.700	20	30		DFEDHN
CSc1ccccc1CN(C)CCC(=O)N(C)CCC#N	ZINC000280392801	334117175	/nfs/dbraw/zinc/11/71/75/334117175.db2.gz	KLVFAFAQOVTNHP-UHFFFAOYSA-N	0	3	305.447	2.602	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(CC#N)cc1	ZINC000343612318	335177391	/nfs/dbraw/zinc/17/73/91/335177391.db2.gz	OJAXTYAGTJWQRT-MOPGFXCFSA-N	0	3	313.445	2.974	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000340102588	334127436	/nfs/dbraw/zinc/12/74/36/334127436.db2.gz	PFNHOVOBNMHAOC-SRVKXCTJSA-N	0	3	319.371	2.560	20	30		DFEDHN
N#CC1(CCCN2CC[C@H](Oc3ccccn3)C2)CCOCC1	ZINC000281994596	334130329	/nfs/dbraw/zinc/13/03/29/334130329.db2.gz	NBRWPNABFWHCOR-INIZCTEOSA-N	0	3	315.417	2.635	20	30		DFEDHN
CCOC1CC(CN2CCN([C@@H](C#N)c3ccccc3)CC2)C1	ZINC000285821169	334150301	/nfs/dbraw/zinc/15/03/01/334150301.db2.gz	ZTWSATVRYGYIMH-KVZIAJEVSA-N	0	3	313.445	2.684	20	30		DFEDHN
N#CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000286229802	334152145	/nfs/dbraw/zinc/15/21/45/334152145.db2.gz	YEHMYKWKDKQBQQ-HNNXBMFYSA-N	0	3	321.371	2.564	20	30		DFEDHN
CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)C)cc1	ZINC000287335713	334157277	/nfs/dbraw/zinc/15/72/77/334157277.db2.gz	PAUIVFYKUWXNTB-LLVKDONJSA-N	0	3	323.418	2.540	20	30		DFEDHN
C[C@H](NC(=O)N1CCC(C#N)CC1)[C@H](c1ccccc1)N(C)C	ZINC000287714175	334158456	/nfs/dbraw/zinc/15/84/56/334158456.db2.gz	ASGGEBFZWAMVJC-WMLDXEAASA-N	0	3	314.433	2.623	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1N(C)C	ZINC000343584349	335179529	/nfs/dbraw/zinc/17/95/29/335179529.db2.gz	OEURUKZZBRXBEF-CVEARBPZSA-N	0	3	308.878	2.669	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(CC(C)(C)C#N)n1	ZINC000289004090	334162913	/nfs/dbraw/zinc/16/29/13/334162913.db2.gz	JXSQJPOLHSPXJR-UHFFFAOYSA-N	0	3	314.389	2.769	20	30		DFEDHN
CC[C@@H](CNCc1ccc(OC)c(OCCCC#N)c1)OC	ZINC000289734827	334167447	/nfs/dbraw/zinc/16/74/47/334167447.db2.gz	HCTSYPSIWAVEFS-HNNXBMFYSA-N	0	3	306.406	2.892	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1	ZINC000291255337	334177575	/nfs/dbraw/zinc/17/75/75/334177575.db2.gz	MKWCXQQDCFTRHM-GOSISDBHSA-N	0	3	309.417	2.680	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)CCCC#N)CC1	ZINC000291548440	334179763	/nfs/dbraw/zinc/17/97/63/334179763.db2.gz	PUXWKRZJDQWNGR-UHFFFAOYSA-N	0	3	300.406	2.825	20	30		DFEDHN
N#CCOc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1	ZINC000292162896	334185172	/nfs/dbraw/zinc/18/51/72/334185172.db2.gz	OTNWVPHFYKEUBE-QGZVFWFLSA-N	0	3	300.402	2.837	20	30		DFEDHN
N#CCCOCCN1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000293668984	334200273	/nfs/dbraw/zinc/20/02/73/334200273.db2.gz	ZGPYZJSPGHZORF-HNNXBMFYSA-N	0	3	302.374	2.525	20	30		DFEDHN
COC1(CCN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1	ZINC000293847824	334202738	/nfs/dbraw/zinc/20/27/38/334202738.db2.gz	RBPIJAKSHDSOJA-GOSISDBHSA-N	0	3	313.445	2.828	20	30		DFEDHN
CC(C)N(CCCSCC#N)CC(=O)N1CCCCCC1	ZINC000353206876	334208360	/nfs/dbraw/zinc/20/83/60/334208360.db2.gz	SNUPKOBYJGUZGR-UHFFFAOYSA-N	0	3	311.495	2.746	20	30		DFEDHN
CN(C)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)c1ccccc1	ZINC000294382701	334208822	/nfs/dbraw/zinc/20/88/22/334208822.db2.gz	OEMXCDQKBBQGGI-APWZRJJASA-N	0	3	311.429	2.880	20	30		DFEDHN
Cc1nn(C)c(CN[C@H]2CC[C@@H](CC#N)C2)c1Br	ZINC000295119489	334219123	/nfs/dbraw/zinc/21/91/23/334219123.db2.gz	WJDAHFZRVJECOW-QWRGUYRKSA-N	0	3	311.227	2.663	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(OCC#N)cc1)CO2	ZINC000297060492	334239072	/nfs/dbraw/zinc/23/90/72/334239072.db2.gz	VXTMKUAWAWQXOS-MRXNPFEDSA-N	0	3	324.380	2.691	20	30		DFEDHN
CC(C)(O)C1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000297284035	334240363	/nfs/dbraw/zinc/24/03/63/334240363.db2.gz	AHZIRUQJBJSAJA-UHFFFAOYSA-N	0	3	324.428	2.666	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)NCCCC#N)N(C)C)cc1	ZINC000298532159	334249457	/nfs/dbraw/zinc/24/94/57/334249457.db2.gz	XUXITVBHZANBIE-OAHLLOKOSA-N	0	3	320.462	2.614	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(C(=O)NCCc2cccs2)CC1	ZINC000298625305	334250278	/nfs/dbraw/zinc/25/02/78/334250278.db2.gz	NVBKLTXPHYMAIK-CQSZACIVSA-N	0	3	319.474	2.811	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccco1)N1[C@H](C)CC[C@H]1C	ZINC000298811918	334251628	/nfs/dbraw/zinc/25/16/28/334251628.db2.gz	FXYUJQUZDQYKKL-RBSFLKMASA-N	0	3	303.406	2.783	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CNCCOCC	ZINC000041641999	334334099	/nfs/dbraw/zinc/33/40/99/334334099.db2.gz	JZAVCMKNUDPLDJ-UHFFFAOYSA-N	0	3	312.207	2.587	20	30		DFEDHN
C=CCCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000121325833	334343649	/nfs/dbraw/zinc/34/36/49/334343649.db2.gz	LRINDAALOUHCJO-WBVHZDCISA-N	0	3	322.474	2.535	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000111875638	334360188	/nfs/dbraw/zinc/36/01/88/334360188.db2.gz	IQBXUGVEIUFSQV-MRXNPFEDSA-N	0	3	301.434	2.891	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(F)ccc1Br	ZINC000341326220	334430285	/nfs/dbraw/zinc/43/02/85/334430285.db2.gz	WOXSRWURONLYKC-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2C[C@H]2C(F)F)c(-c2ccncc2)n1	ZINC000342195748	334516501	/nfs/dbraw/zinc/51/65/01/334516501.db2.gz	FXXJONJDFRLAFZ-KGLIPLIRSA-N	0	3	317.343	2.602	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1[C@@H](C)CC[C@@H]1C	ZINC000342397761	334538062	/nfs/dbraw/zinc/53/80/62/334538062.db2.gz	QIRUTOBLVHEDBH-GJZGRUSLSA-N	0	3	320.433	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cn(C(C)C)cn1)C(C)C	ZINC000342724503	334568985	/nfs/dbraw/zinc/56/89/85/334568985.db2.gz	CWJHSEZWFXBPQR-KRWDZBQOSA-N	0	3	318.465	2.892	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](c1ccccc1)N(C)C	ZINC000416239696	334655938	/nfs/dbraw/zinc/65/59/38/334655938.db2.gz	ADZOCKLTDLUBRG-IKGGRYGDSA-N	0	3	302.418	2.529	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nccs1	ZINC000328843924	334759677	/nfs/dbraw/zinc/75/96/77/334759677.db2.gz	QVVHWGDVJKLJHA-PEXQALLHSA-N	0	3	308.407	2.607	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[C@@]23CCOC3)cc1	ZINC000328906426	334767408	/nfs/dbraw/zinc/76/74/08/334767408.db2.gz	KSWPEVDKCLCUFP-XYJFISCASA-N	0	3	318.417	2.681	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2nccs2)CC1	ZINC000125976674	334835828	/nfs/dbraw/zinc/83/58/28/334835828.db2.gz	OKLMYNDGRDPFHT-AWEZNQCLSA-N	0	3	322.478	2.934	20	30		DFEDHN
CC(=O)c1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[O-]	ZINC000331361422	334858529	/nfs/dbraw/zinc/85/85/29/334858529.db2.gz	YZYUVYYQISQODF-UHFFFAOYSA-N	0	3	304.390	2.631	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(CC(C)C)c2C)CC1	ZINC000162141395	334902010	/nfs/dbraw/zinc/90/20/10/334902010.db2.gz	SHKOCJSTELUSCS-UHFFFAOYSA-N	0	3	318.465	2.618	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)C1CCC(C(F)(F)F)CC1	ZINC000344116006	335218598	/nfs/dbraw/zinc/21/85/98/335218598.db2.gz	ANLRCHUANWQLDZ-UHFFFAOYSA-N	0	3	317.355	2.602	20	30		DFEDHN
C=CCCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000344445956	335249648	/nfs/dbraw/zinc/24/96/48/335249648.db2.gz	ISTDXODTSMDKPH-UHFFFAOYSA-N	0	3	315.461	2.590	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000344561894	335258537	/nfs/dbraw/zinc/25/85/37/335258537.db2.gz	WHHVYKKPUKIMCC-XJKSGUPXSA-N	0	3	307.353	2.642	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c1	ZINC000345006502	335290748	/nfs/dbraw/zinc/29/07/48/335290748.db2.gz	FCIIGLFRJFTJSS-BBRMVZONSA-N	0	3	303.406	2.856	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F	ZINC000345766036	335349714	/nfs/dbraw/zinc/34/97/14/335349714.db2.gz	QDDPVOPYWDOYNL-UWVGGRQHSA-N	0	3	300.280	2.749	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000346042877	335370518	/nfs/dbraw/zinc/37/05/18/335370518.db2.gz	FBKUWCBZYTZIHQ-SJORKVTESA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@@H](CC)N(CC)CC	ZINC000346093650	335374289	/nfs/dbraw/zinc/37/42/89/335374289.db2.gz	NXTGSFMWHFULFW-MRXNPFEDSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)C[C@H]1CCCCO1	ZINC000346225174	335386031	/nfs/dbraw/zinc/38/60/31/335386031.db2.gz	MKYQDDOIRKJRQO-QZTJIDSGSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000346285867	335392480	/nfs/dbraw/zinc/39/24/80/335392480.db2.gz	QBOSEGDMJRGQAV-HKUYNNGSSA-N	0	3	316.445	2.575	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000347592819	335513326	/nfs/dbraw/zinc/51/33/26/335513326.db2.gz	VQVSLIKLVYYCOB-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCC2CCC(OC)CC2)CC1	ZINC000347739155	335521110	/nfs/dbraw/zinc/52/11/10/335521110.db2.gz	OVKWDZZKRDWUAP-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](CC(=O)OC)C1CCCCC1	ZINC000347971467	335542937	/nfs/dbraw/zinc/54/29/37/335542937.db2.gz	XEFGPVHKOCTSDA-MRXNPFEDSA-N	0	3	324.465	2.513	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000348031046	335546351	/nfs/dbraw/zinc/54/63/51/335546351.db2.gz	KDRZFIZTCZFRPB-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1	ZINC000348479815	335589521	/nfs/dbraw/zinc/58/95/21/335589521.db2.gz	PDFGQYNZNXFKCK-CABCVRRESA-N	0	3	323.506	2.935	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000349836353	335705026	/nfs/dbraw/zinc/70/50/26/335705026.db2.gz	RZPRMPSFABPMHH-NWDGAFQWSA-N	0	3	306.797	2.508	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CCC[C@H]2CN2CCCCC2)o1	ZINC000329284292	335959704	/nfs/dbraw/zinc/95/97/04/335959704.db2.gz	NUCOIPUKHNWVBE-GJZGRUSLSA-N	0	3	320.437	2.908	20	30		DFEDHN
O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@H]1CCCc2ccccc21	ZINC000329640921	336025850	/nfs/dbraw/zinc/02/58/50/336025850.db2.gz	ZZZNSKRBEKCACY-HIFRSBDPSA-N	0	3	310.401	2.848	20	30		DFEDHN
O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@H]1CCCc2ccccc21	ZINC000329640921	336025852	/nfs/dbraw/zinc/02/58/52/336025852.db2.gz	ZZZNSKRBEKCACY-HIFRSBDPSA-N	0	3	310.401	2.848	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCCc2ccccc21	ZINC000329640921	336025853	/nfs/dbraw/zinc/02/58/53/336025853.db2.gz	ZZZNSKRBEKCACY-HIFRSBDPSA-N	0	3	310.401	2.848	20	30		DFEDHN
C[C@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CCOC1	ZINC000329675994	336037353	/nfs/dbraw/zinc/03/73/53/336037353.db2.gz	PHRDPNNZDPMIJA-KRWDZBQOSA-N	0	3	303.406	2.681	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000329681579	336043744	/nfs/dbraw/zinc/04/37/44/336043744.db2.gz	WYMPDQSDVVPBIP-JYJNAYRXSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCC[C@@H](O)CN(CCC)C[C@H]1COc2ccccc2O1	ZINC000351615614	336050705	/nfs/dbraw/zinc/05/07/05/336050705.db2.gz	NRYMAWYWHWBZFE-CVEARBPZSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=CCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000351688582	336058211	/nfs/dbraw/zinc/05/82/11/336058211.db2.gz	XZJZYGAKEDUINY-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
CCN(CCCN1CCN(c2ccccc2)CC1)C[C@@H](C)C#N	ZINC000351861273	336073806	/nfs/dbraw/zinc/07/38/06/336073806.db2.gz	RSPUEEPPRKSIAC-SFHVURJKSA-N	0	3	314.477	2.680	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@]1(C)CCO[C@@H]1C1CC1	ZINC000329762203	336079086	/nfs/dbraw/zinc/07/90/86/336079086.db2.gz	SITOSEJLFRTQJL-JFIYKMOQSA-N	0	3	323.481	2.712	20	30		DFEDHN
C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C2CCOCC2)CCO1	ZINC000329767516	336079449	/nfs/dbraw/zinc/07/94/49/336079449.db2.gz	ZQGULQVKHIKNHV-INMHGKMJSA-N	0	3	324.465	2.792	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)CC2	ZINC000329827844	336087225	/nfs/dbraw/zinc/08/72/25/336087225.db2.gz	CYFPGUWGPAUJAL-HZSPNIEDSA-N	0	3	319.453	2.546	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1	ZINC000329943593	336097989	/nfs/dbraw/zinc/09/79/89/336097989.db2.gz	HVAZGJVLOKABAA-HZPDHXFCSA-N	0	3	321.465	2.751	20	30		DFEDHN
CCc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc(=O)[nH]1	ZINC000329961161	336100277	/nfs/dbraw/zinc/10/02/77/336100277.db2.gz	RLRKCZYFHCPLRT-HNNXBMFYSA-N	0	3	303.406	2.671	20	30		DFEDHN
O=C(N[C@H]1CCN(C2CCCC2)C1)[C@@H](O)Cc1ccccc1	ZINC000330030294	336107563	/nfs/dbraw/zinc/10/75/63/336107563.db2.gz	RJEDSAGLTMLNCB-RDJZCZTQSA-N	0	3	302.418	2.563	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NCc2nc(C3CC3)cs2)CCN1C	ZINC000330086871	336112265	/nfs/dbraw/zinc/11/22/65/336112265.db2.gz	SLOHRULSZZLPDC-ZYHUDNBSSA-N	0	3	308.451	2.507	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)NCc2nc(C3CC3)cs2)CCN1C	ZINC000330086870	336112294	/nfs/dbraw/zinc/11/22/94/336112294.db2.gz	SLOHRULSZZLPDC-PWSUYJOCSA-N	0	3	308.451	2.507	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330110445	336114384	/nfs/dbraw/zinc/11/43/84/336114384.db2.gz	QNPSLESYHAHDBZ-HZPDHXFCSA-N	0	3	323.481	2.856	20	30		DFEDHN
C[C@H](C(=O)NC1CCCCC1)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000330131727	336116502	/nfs/dbraw/zinc/11/65/02/336116502.db2.gz	LBMDRRBWQOLRCX-OLZOCXBDSA-N	0	3	305.426	2.662	20	30		DFEDHN
O=C(N[C@H]1CSc2ccccc21)N[C@@H]1CCn2ccnc2C1	ZINC000330183823	336121962	/nfs/dbraw/zinc/12/19/62/336121962.db2.gz	IEZGLTQVNNQCMN-YPMHNXCESA-N	0	3	314.414	2.549	20	30		DFEDHN
CC(C)(CNC([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCC1	ZINC000330198811	336123568	/nfs/dbraw/zinc/12/35/68/336123568.db2.gz	UQFCVYOWVMYKRK-AWEZNQCLSA-N	0	3	304.438	2.918	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000330225110	336126874	/nfs/dbraw/zinc/12/68/74/336126874.db2.gz	NZXWLYHORHZQNP-GFCCVEGCSA-N	0	3	301.390	2.965	20	30		DFEDHN
C[C@H]1OCC[C@@]1(C)NCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000330271430	336131805	/nfs/dbraw/zinc/13/18/05/336131805.db2.gz	VXXHMNPDEKQNDX-NFFDBFGFSA-N	0	3	311.426	2.593	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nnc4n3CCCCC4)C2)C1	ZINC000330276810	336132869	/nfs/dbraw/zinc/13/28/69/336132869.db2.gz	NKZJZVRPYYQZIB-OAGGEKHMSA-N	0	3	313.449	2.876	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1	ZINC000330284009	336133332	/nfs/dbraw/zinc/13/33/32/336133332.db2.gz	WWYIBNDYFQWBNS-DJIMGWMZSA-N	0	3	324.465	2.647	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000331643019	336143106	/nfs/dbraw/zinc/14/31/06/336143106.db2.gz	VETJYLZXPCCLQQ-RYUDHWBXSA-N	0	3	303.431	2.888	20	30		DFEDHN
CS[C@@H]1CCCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000331897251	336152009	/nfs/dbraw/zinc/15/20/09/336152009.db2.gz	DUMQSOMYYYKIJQ-FMKPAKJESA-N	0	3	311.495	2.647	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(C(=O)NCc3ccccc3)CC2)C1	ZINC000331958811	336154452	/nfs/dbraw/zinc/15/44/52/336154452.db2.gz	PZKLNRKFONCGFB-AEFFLSMTSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](CCC)NC(C)C)cc1	ZINC000351965671	336183964	/nfs/dbraw/zinc/18/39/64/336183964.db2.gz	VZOQEOODQVOZKC-MRXNPFEDSA-N	0	3	317.433	2.708	20	30		DFEDHN
N#CC1CCC(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1	ZINC000333027570	336196919	/nfs/dbraw/zinc/19/69/19/336196919.db2.gz	BLJOFROOZXJMFE-DQPZFDDXSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc3c2CCO3)CC1	ZINC000333147163	336198590	/nfs/dbraw/zinc/19/85/90/336198590.db2.gz	LJGFRRNTTICCFB-UHFFFAOYSA-N	0	3	315.417	2.784	20	30		DFEDHN
C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCC[C@@H](C)C1	ZINC000333173576	336199263	/nfs/dbraw/zinc/19/92/63/336199263.db2.gz	KVOVSEKWUKMXHL-RKVPGOIHSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2	ZINC000352471418	336220869	/nfs/dbraw/zinc/22/08/69/336220869.db2.gz	WKOBUNIQJYUVBS-LJQANCHMSA-N	0	3	313.445	2.870	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000352526454	336222733	/nfs/dbraw/zinc/22/27/33/336222733.db2.gz	NTJQFNZKYIUHLU-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
CC[C@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1	ZINC000526303727	336243453	/nfs/dbraw/zinc/24/34/53/336243453.db2.gz	NQMLCLMWNUEJGQ-INIZCTEOSA-N	0	3	313.445	2.895	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CCC23CCC3)c(OC)c1	ZINC000353003812	336381645	/nfs/dbraw/zinc/38/16/45/336381645.db2.gz	SGAMTJJQBBXBDC-MRXNPFEDSA-N	0	3	317.429	2.792	20	30		DFEDHN
C=CCCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000353044719	336390053	/nfs/dbraw/zinc/39/00/53/336390053.db2.gz	UGDKJCOMOLANNR-QGZVFWFLSA-N	0	3	303.450	2.815	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1	ZINC000353547901	336424281	/nfs/dbraw/zinc/42/42/81/336424281.db2.gz	FOVTZNRSZGYCNW-UVBJJODRSA-N	0	3	324.371	2.545	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1	ZINC000353570862	336425907	/nfs/dbraw/zinc/42/59/07/336425907.db2.gz	UBKOHQSFRONLOP-HIFRSBDPSA-N	0	3	305.422	2.758	20	30		DFEDHN
C=CCC[C@@H](NCCn1nc2ccccn2c1=O)c1ccccc1	ZINC000358101513	336611747	/nfs/dbraw/zinc/61/17/47/336611747.db2.gz	RXOFZLLOUCRIGR-QGZVFWFLSA-N	0	3	322.412	2.793	20	30		DFEDHN
CC[C@H](CC#N)NCc1ccccc1N1CCN(CC)CC1	ZINC000358291316	336621802	/nfs/dbraw/zinc/62/18/02/336621802.db2.gz	SQMVKXBKUZJKJK-QGZVFWFLSA-N	0	3	300.450	2.610	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cc(C)ccc3C2)CC1	ZINC000358447654	336630437	/nfs/dbraw/zinc/63/04/37/336630437.db2.gz	PZJFRXRWLCQSBR-UHFFFAOYSA-N	0	3	313.445	2.713	20	30		DFEDHN
Clc1cccc(C#CCN2CCN([C@@H]3CCSC3)CC2)c1	ZINC000362157454	336786077	/nfs/dbraw/zinc/78/60/77/336786077.db2.gz	BAJXESPRYAOQSQ-QGZVFWFLSA-N	0	3	320.889	2.815	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C(=O)NC)C(C)C)cc1Cl	ZINC000362956914	336816293	/nfs/dbraw/zinc/81/62/93/336816293.db2.gz	FPIGAMDDGZRDPD-HNNXBMFYSA-N	0	3	310.825	2.765	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000371713710	336911260	/nfs/dbraw/zinc/91/12/60/336911260.db2.gz	DUHLJFLNAPONSH-CABCVRRESA-N	0	3	307.825	2.656	20	30		DFEDHN
Cn1cc([C@@H](NCCCSCC#N)c2ccccc2)cn1	ZINC000371752093	336912067	/nfs/dbraw/zinc/91/20/67/336912067.db2.gz	DYSDJNDZZBCCTD-INIZCTEOSA-N	0	3	300.431	2.746	20	30		DFEDHN
OCC1(NCC#Cc2ccc(Cl)cc2)Cc2ccccc2C1	ZINC000371866971	336915014	/nfs/dbraw/zinc/91/50/14/336915014.db2.gz	URIBNHMHEMGKBF-UHFFFAOYSA-N	0	3	311.812	2.811	20	30		DFEDHN
C#CCCN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000375000987	337001376	/nfs/dbraw/zinc/00/13/76/337001376.db2.gz	ZLIAMZLEZRSLSE-HNNXBMFYSA-N	0	3	324.346	2.982	20	30		DFEDHN
Cc1nc(CO[C@H]2CCN(CCCSCC#N)C2)cs1	ZINC000375395783	337010276	/nfs/dbraw/zinc/01/02/76/337010276.db2.gz	TWMIYDSYKXLUMM-AWEZNQCLSA-N	0	3	311.476	2.689	20	30		DFEDHN
COc1cc(OC)cc(C2(O)CCN(CCCCC#N)CC2)c1	ZINC000305076249	337012292	/nfs/dbraw/zinc/01/22/92/337012292.db2.gz	LCMIAYYFSMOHRV-UHFFFAOYSA-N	0	3	318.417	2.681	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1	ZINC000375610494	337014408	/nfs/dbraw/zinc/01/44/08/337014408.db2.gz	FTFYJASHEIANAL-JENIJYKNSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCC[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1ccco1	ZINC000375847473	337021229	/nfs/dbraw/zinc/02/12/29/337021229.db2.gz	BGSIUBGXBUQVAR-CABCVRRESA-N	0	3	300.406	2.889	20	30		DFEDHN
C=CCN(C(=O)N(C)CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000376268521	337030187	/nfs/dbraw/zinc/03/01/87/337030187.db2.gz	ZUAPMOQLXUCFTL-KRWDZBQOSA-N	0	3	301.434	2.821	20	30		DFEDHN
COc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1O	ZINC000376649576	337039161	/nfs/dbraw/zinc/03/91/61/337039161.db2.gz	VXGJCXJGSFCWBS-UHFFFAOYSA-N	0	3	323.396	2.853	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCOCC[C@@H]1C)C(C)C	ZINC000376830853	337042323	/nfs/dbraw/zinc/04/23/23/337042323.db2.gz	FPVGHYWTASKMHJ-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
CC[C@H](C)[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000582454066	337055019	/nfs/dbraw/zinc/05/50/19/337055019.db2.gz	LQKLJGLPASUINR-HOTGVXAUSA-N	0	3	304.438	2.543	20	30		DFEDHN
CCN(C[C@H](C)C#N)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000377605700	337055954	/nfs/dbraw/zinc/05/59/54/337055954.db2.gz	XQRVYJWMOQMNAD-MJGOQNOKSA-N	0	3	315.461	2.759	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1	ZINC000377697186	337059026	/nfs/dbraw/zinc/05/90/26/337059026.db2.gz	KRYFUEMTYVUSMB-KRWDZBQOSA-N	0	3	322.412	2.729	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](c3nncn3CC)C2)cc1	ZINC000378350111	337070541	/nfs/dbraw/zinc/07/05/41/337070541.db2.gz	MECZJUOECBAJBL-QGZVFWFLSA-N	0	3	324.428	2.690	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](c3nncn3CC)C2)cc1	ZINC000378350110	337070630	/nfs/dbraw/zinc/07/06/30/337070630.db2.gz	MECZJUOECBAJBL-KRWDZBQOSA-N	0	3	324.428	2.690	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(SC)cc2)CC1	ZINC000171724147	337088904	/nfs/dbraw/zinc/08/89/04/337088904.db2.gz	NEQRZXXCERJFOW-UHFFFAOYSA-N	0	3	319.474	2.858	20	30		DFEDHN
N#CCOc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1	ZINC000171769437	337089181	/nfs/dbraw/zinc/08/91/81/337089181.db2.gz	KIEMFOHJHDSNJD-UHFFFAOYSA-N	0	3	319.368	2.664	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](O)C12CCCC2	ZINC000582684077	337122810	/nfs/dbraw/zinc/12/28/10/337122810.db2.gz	DEDWUYMBNMVRPC-IAGOWNOFSA-N	0	3	312.413	2.665	20	30		DFEDHN
C#CCCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000175011717	337144032	/nfs/dbraw/zinc/14/40/32/337144032.db2.gz	PDVVNBKQLRSEGE-INIZCTEOSA-N	0	3	313.445	2.925	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000177155212	337154216	/nfs/dbraw/zinc/15/42/16/337154216.db2.gz	NDUORUAJPWVVJE-MRXNPFEDSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1	ZINC000177184946	337155519	/nfs/dbraw/zinc/15/55/19/337155519.db2.gz	FQVJMNUZMOUYGU-UKRRQHHQSA-N	0	3	300.402	2.606	20	30		DFEDHN
COCCOC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1	ZINC000177351182	337156850	/nfs/dbraw/zinc/15/68/50/337156850.db2.gz	RYOACWHEMVOQAO-INIZCTEOSA-N	0	3	307.821	2.676	20	30		DFEDHN
C=CCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000178257492	337161768	/nfs/dbraw/zinc/16/17/68/337161768.db2.gz	UFKHALNCNKVJFE-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000179145660	337168103	/nfs/dbraw/zinc/16/81/03/337168103.db2.gz	HFPIJBYRXZALHQ-HOTGVXAUSA-N	0	3	319.474	2.650	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)CC1	ZINC000181503408	337182736	/nfs/dbraw/zinc/18/27/36/337182736.db2.gz	BDNSSOLCFFZZEA-QGZVFWFLSA-N	0	3	309.413	2.552	20	30		DFEDHN
CN1CCN(Cc2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)CC1	ZINC000185728970	337250819	/nfs/dbraw/zinc/25/08/19/337250819.db2.gz	HOQFMXFHIFDIBK-WMZOPIPTSA-N	0	3	312.461	2.928	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2cccc(SCC#N)c2)CCC1	ZINC000188016115	337270095	/nfs/dbraw/zinc/27/00/95/337270095.db2.gz	SGCCSQWNVLIVTF-UHFFFAOYSA-N	0	3	317.458	2.859	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000583208860	337272315	/nfs/dbraw/zinc/27/23/15/337272315.db2.gz	SBQFCIUEYNUTOM-SFHVURJKSA-N	0	3	303.450	2.964	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H]2CCCO2)CC1	ZINC000189245880	337277470	/nfs/dbraw/zinc/27/74/70/337277470.db2.gz	MMONGIXIJWGEEF-RDJZCZTQSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)Cc1ccc(C(F)(F)F)cc1	ZINC000191091969	337293827	/nfs/dbraw/zinc/29/38/27/337293827.db2.gz	JDSCFZZKJUIWGO-OAHLLOKOSA-N	0	3	317.351	2.743	20	30		DFEDHN
C[C@H]1Cc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000584530465	337356662	/nfs/dbraw/zinc/35/66/62/337356662.db2.gz	OLTJHXCSSFPATM-SJCJKPOMSA-N	0	3	303.369	2.624	20	30		DFEDHN
C#CCOc1ccc(CNCc2cccnc2-n2cccn2)cc1	ZINC000113320444	337391026	/nfs/dbraw/zinc/39/10/26/337391026.db2.gz	URABZFUCZAMSSW-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1	ZINC000120582303	337395949	/nfs/dbraw/zinc/39/59/49/337395949.db2.gz	DPSNXFHMOORGHA-RDJZCZTQSA-N	0	3	322.412	2.741	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C2CC2)cc1	ZINC000419351453	337480496	/nfs/dbraw/zinc/48/04/96/337480496.db2.gz	JEMXITJZUUMKLS-QWHCGFSZSA-N	0	3	315.417	2.615	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccncc1)C(C)C	ZINC000079042138	337613460	/nfs/dbraw/zinc/61/34/60/337613460.db2.gz	NQTWFPQDWMXISP-KRWDZBQOSA-N	0	3	316.449	2.579	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@H](C)C1)C(C)C	ZINC000271824604	337645555	/nfs/dbraw/zinc/64/55/55/337645555.db2.gz	DNRUCNIQDFSVOO-IXDOHACOSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000425284369	337682240	/nfs/dbraw/zinc/68/22/40/337682240.db2.gz	QOGULMILYSSSOY-SJCJKPOMSA-N	0	3	313.357	2.876	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OCC)C12CCCCC2	ZINC000429762936	337682706	/nfs/dbraw/zinc/68/27/06/337682706.db2.gz	RBSDMUDFOKBZFO-SJORKVTESA-N	0	3	320.477	2.905	20	30		DFEDHN
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CCCC#N	ZINC000424070973	337731090	/nfs/dbraw/zinc/73/10/90/337731090.db2.gz	AYXUDBPVRSIZQE-ZDUSSCGKSA-N	0	3	314.216	2.973	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000424074059	337731176	/nfs/dbraw/zinc/73/11/76/337731176.db2.gz	GNTJTENAGIGHRI-LLVKDONJSA-N	0	3	301.268	2.545	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1	ZINC000424111316	337739466	/nfs/dbraw/zinc/73/94/66/337739466.db2.gz	GCMUGGZBHVIHGD-BZSNNMDCSA-N	0	3	313.445	2.925	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)cc2c1O[C@@H](C)C2	ZINC000424165240	337789395	/nfs/dbraw/zinc/78/93/95/337789395.db2.gz	AJJJDCAMGXFZPD-DCGLDWPTSA-N	0	3	303.402	2.699	20	30		DFEDHN
COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1NC(C)=O	ZINC000424332317	337822454	/nfs/dbraw/zinc/82/24/54/337822454.db2.gz	STDTUNXINMVHAS-CORIIIEPSA-N	0	3	301.390	2.996	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1snnc1CC)C(C)C	ZINC000046049240	337831673	/nfs/dbraw/zinc/83/16/73/337831673.db2.gz	UUSRERAJZZTXMF-AWEZNQCLSA-N	0	3	322.478	2.529	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](N[C@H](C)CC)c1ccco1	ZINC000424532375	337852064	/nfs/dbraw/zinc/85/20/64/337852064.db2.gz	OXNIDUPQIGGKTJ-WCVJEAGWSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCOCC1	ZINC000424532385	337852075	/nfs/dbraw/zinc/85/20/75/337852075.db2.gz	JTKKRGOUKXZPKU-KRWDZBQOSA-N	0	3	316.445	2.778	20	30		DFEDHN
C=CCC1(C(=O)NCc2ccccc2CN(C)C)CCOCC1	ZINC000424546580	337857959	/nfs/dbraw/zinc/85/79/59/337857959.db2.gz	SLBYQDVXKYFEJG-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
C[C@@H](O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000092969792	337910610	/nfs/dbraw/zinc/91/06/10/337910610.db2.gz	OWQZQAPIQUZDDL-OAHLLOKOSA-N	0	3	302.418	2.962	20	30		DFEDHN
COc1ccnc(N2CCN(CC(C)(C)CCC#N)CC2)c1	ZINC000093079349	337911833	/nfs/dbraw/zinc/91/18/33/337911833.db2.gz	UPARBVBGSKWBDX-UHFFFAOYSA-N	0	3	302.422	2.542	20	30		DFEDHN
C#CC[C@@H](CC(F)(F)F)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000496913539	340016037	/nfs/dbraw/zinc/01/60/37/340016037.db2.gz	TTYLYJNXTMGYDN-QWRGUYRKSA-N	0	3	308.344	2.834	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000084680580	338005559	/nfs/dbraw/zinc/00/55/59/338005559.db2.gz	TUOSKVYLMDPBFT-AOCRQIFASA-N	0	3	321.509	2.510	20	30		DFEDHN
CCC[C@]1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426137594	338021036	/nfs/dbraw/zinc/02/10/36/338021036.db2.gz	FXXSIGZWWCYJIY-MJGOQNOKSA-N	0	3	314.429	2.770	20	30		DFEDHN
CC1(C)c2cc(C(=O)C(C#N)c3ccccn3)ccc2NC1=O	ZINC000426167664	338021923	/nfs/dbraw/zinc/02/19/23/338021923.db2.gz	LUUGHPJOHVBFNG-GFCCVEGCSA-N	0	3	305.337	2.801	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCCC(F)(F)C2)CC1	ZINC000426366561	338029037	/nfs/dbraw/zinc/02/90/37/338029037.db2.gz	QGPPQGWHOZCRES-CYBMUJFWSA-N	0	3	301.381	2.514	20	30		DFEDHN
CCOCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000426651038	338036998	/nfs/dbraw/zinc/03/69/98/338036998.db2.gz	JFBFDWUAPCSRHP-MRXNPFEDSA-N	0	3	302.418	2.938	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1CC	ZINC000429725551	338088365	/nfs/dbraw/zinc/08/83/65/338088365.db2.gz	YTOTZNNKFMTQGQ-UHFFFAOYSA-N	0	3	303.450	2.627	20	30		DFEDHN
CCN1CCN(c2ccccc2CNCC2(CC#N)CC2)CC1	ZINC000430023499	338093735	/nfs/dbraw/zinc/09/37/35/338093735.db2.gz	XGTIJFMFJYJFQY-UHFFFAOYSA-N	0	3	312.461	2.612	20	30		DFEDHN
COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1NC(C)=O	ZINC000430764888	338114320	/nfs/dbraw/zinc/11/43/20/338114320.db2.gz	ULPVLEXAHSJELY-LBPRGKRZSA-N	0	3	301.390	2.998	20	30		DFEDHN
CN1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1	ZINC000431292830	338127491	/nfs/dbraw/zinc/12/74/91/338127491.db2.gz	CURNHHNTMSNZKU-QGZVFWFLSA-N	0	3	314.433	2.815	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	ZINC000431513211	338132961	/nfs/dbraw/zinc/13/29/61/338132961.db2.gz	JUPMTZXSUZWOIU-IUCAKERBSA-N	0	3	304.737	2.727	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)[C@@]2(C#N)C[C@@H]2C)CC1	ZINC000448725027	338168460	/nfs/dbraw/zinc/16/84/60/338168460.db2.gz	JMKANYSXCNZVRI-HNAYVOBHSA-N	0	3	311.429	2.625	20	30		DFEDHN
Cc1cc(C)c(CNC(=O)C(C#N)CCc2ccccc2)c(=O)[nH]1	ZINC000433217036	338186167	/nfs/dbraw/zinc/18/61/67/338186167.db2.gz	BAWSGYZZLAPQJX-MRXNPFEDSA-N	0	3	323.396	2.793	20	30		DFEDHN
CC(C)(C)[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433365317	338193939	/nfs/dbraw/zinc/19/39/39/338193939.db2.gz	PEYGSOOVSMXYIR-CVEARBPZSA-N	0	3	302.418	2.672	20	30		DFEDHN
CC(C)(C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433386999	338194460	/nfs/dbraw/zinc/19/44/60/338194460.db2.gz	PQNNFMBBLVWJCX-HOTGVXAUSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C	ZINC000437730900	338319661	/nfs/dbraw/zinc/31/96/61/338319661.db2.gz	SVQCQXNUTKFECO-YVSFHVDLSA-N	0	3	323.481	2.530	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)N[C@H]2CC[C@@H](C#N)C2)cc1	ZINC000442634427	338426366	/nfs/dbraw/zinc/42/63/66/338426366.db2.gz	GXIFXQKKBNELQV-NEWSRXKRSA-N	0	3	313.445	2.650	20	30		DFEDHN
CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000442723510	338429087	/nfs/dbraw/zinc/42/90/87/338429087.db2.gz	ZGBJQPMZLOSSPR-GOEBONIOSA-N	0	3	300.406	2.998	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C(F)(F)F)C(C)C	ZINC000448974248	338581624	/nfs/dbraw/zinc/58/16/24/338581624.db2.gz	JMTWPBNUHXNWBK-MCIONIFRSA-N	0	3	318.383	3.000	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cnc(CCc2ccccc2)s1	ZINC000449240348	338605762	/nfs/dbraw/zinc/60/57/62/338605762.db2.gz	YOKCXYVPCAURAO-HNNXBMFYSA-N	0	3	302.443	2.955	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cnc(-c2ccccc2OC)nc1	ZINC000449694086	338646668	/nfs/dbraw/zinc/64/66/68/338646668.db2.gz	APIILJHUCAMNPY-OAHLLOKOSA-N	0	3	313.401	2.569	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000450711906	338700478	/nfs/dbraw/zinc/70/04/78/338700478.db2.gz	SCBISDHVTMIQDF-UHFFFAOYSA-N	0	3	301.434	2.979	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C	ZINC000451505616	338737002	/nfs/dbraw/zinc/73/70/02/338737002.db2.gz	TVHBHRVBQLWYRT-AFIMGQEJSA-N	0	3	323.481	2.611	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCc2sccc2[C@@H]1CC	ZINC000451600190	338740087	/nfs/dbraw/zinc/74/00/87/338740087.db2.gz	QNCKWLUZLGUOOI-ILXRZTDVSA-N	0	3	320.458	2.517	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	ZINC000451608825	338740348	/nfs/dbraw/zinc/74/03/48/338740348.db2.gz	UGWMUMLVOUUFCY-WQVCFCJDSA-N	0	3	322.836	2.793	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1COCC1(C)C	ZINC000451814407	338744885	/nfs/dbraw/zinc/74/48/85/338744885.db2.gz	UEMNRZNDPCBADJ-UKRRQHHQSA-N	0	3	322.474	2.666	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1COCC1(C)C	ZINC000451814405	338744899	/nfs/dbraw/zinc/74/48/99/338744899.db2.gz	UEMNRZNDPCBADJ-HIFRSBDPSA-N	0	3	322.474	2.666	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C(=O)N(C)C)cc1	ZINC000453380067	338835007	/nfs/dbraw/zinc/83/50/07/338835007.db2.gz	ZMZHMYNTHPZAAK-XKQJLSEDSA-N	0	3	302.418	2.773	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453424119	338841187	/nfs/dbraw/zinc/84/11/87/338841187.db2.gz	HLTNUGWGUXPZCH-HNNXBMFYSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456723194	338938035	/nfs/dbraw/zinc/93/80/35/338938035.db2.gz	ROJMTWCHHYWVOF-SFHVURJKSA-N	0	3	310.482	2.673	20	30		DFEDHN
C=CCN1CCC(NC(=O)COCc2cccc(Cl)c2)CC1	ZINC000457540719	338968510	/nfs/dbraw/zinc/96/85/10/338968510.db2.gz	JGEJHBLZVQRENQ-UHFFFAOYSA-N	0	3	322.836	2.623	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCCO[C@@H]2C(=C)C)CC1	ZINC000457543674	338968607	/nfs/dbraw/zinc/96/86/07/338968607.db2.gz	OEXDIGVEFSXOBG-IAGOWNOFSA-N	0	3	306.450	2.514	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000458593875	339001522	/nfs/dbraw/zinc/00/15/22/339001522.db2.gz	VDWGJRLRIJWXIT-HZPDHXFCSA-N	0	3	314.433	2.623	20	30		DFEDHN
C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000459022880	339011415	/nfs/dbraw/zinc/01/14/15/339011415.db2.gz	PFFFCGIRNXOFSR-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000459285965	339019298	/nfs/dbraw/zinc/01/92/98/339019298.db2.gz	HHFQNKZMKUWSOH-HNNXBMFYSA-N	0	3	323.352	2.679	20	30		DFEDHN
COC(=O)c1cc(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000459285965	339019299	/nfs/dbraw/zinc/01/92/99/339019299.db2.gz	HHFQNKZMKUWSOH-HNNXBMFYSA-N	0	3	323.352	2.679	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CNC(C)(C)CN(C)C	ZINC000459539803	339034728	/nfs/dbraw/zinc/03/47/28/339034728.db2.gz	PYHNBZAQTGBQHQ-UHFFFAOYSA-N	0	3	321.490	2.833	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000468955382	339275939	/nfs/dbraw/zinc/27/59/39/339275939.db2.gz	KUZXQGRRALLHNK-QZTJIDSGSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1=O	ZINC000487937309	339766314	/nfs/dbraw/zinc/76/63/14/339766314.db2.gz	XEBUCKQNOODGOE-IXDOHACOSA-N	0	3	314.429	2.609	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc3nc(C)ccc3c2)CC1	ZINC000491118051	339849554	/nfs/dbraw/zinc/84/95/54/339849554.db2.gz	BGYOBNCVMHULJP-UHFFFAOYSA-N	0	3	321.424	2.505	20	30		DFEDHN
C#CCNC(=O)CCN[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000491618861	339868663	/nfs/dbraw/zinc/86/86/63/339868663.db2.gz	CZEZDXOWQLXRNC-INIZCTEOSA-N	0	3	312.413	2.552	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000491642648	339870559	/nfs/dbraw/zinc/87/05/59/339870559.db2.gz	XXRSLMZSYGAPPR-DOTOQJQBSA-N	0	3	313.445	2.923	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1cscn1)C(C)C	ZINC000491840907	339884905	/nfs/dbraw/zinc/88/49/05/339884905.db2.gz	CPJCFABJXVSUTJ-XITLMJRVSA-N	0	3	319.474	2.971	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000491891701	339886149	/nfs/dbraw/zinc/88/61/49/339886149.db2.gz	JVEQIULBRHWYIS-LVDDQXARSA-N	0	3	311.307	2.504	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000494351816	339947220	/nfs/dbraw/zinc/94/72/20/339947220.db2.gz	SSWIVAJDLAFGLT-MSOLQXFVSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C(Br)CN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1	ZINC000495679498	339990036	/nfs/dbraw/zinc/99/00/36/339990036.db2.gz	KMSAXSFTXWBWCA-JTQLQIEISA-N	0	3	319.243	2.740	20	30		DFEDHN
C=CCN1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496211351	340000639	/nfs/dbraw/zinc/00/06/39/340000639.db2.gz	DWTHWMNDPUVWLV-HOTGVXAUSA-N	0	3	324.465	2.957	20	30		DFEDHN
C=CCN1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496211352	340000692	/nfs/dbraw/zinc/00/06/92/340000692.db2.gz	DWTHWMNDPUVWLV-HZPDHXFCSA-N	0	3	324.465	2.957	20	30		DFEDHN
C#Cc1ccc(CNCc2cccc(N3CCOC3=O)c2)cc1	ZINC000496254734	340001600	/nfs/dbraw/zinc/00/16/00/340001600.db2.gz	MYSUSCWEOIVPHO-UHFFFAOYSA-N	0	3	306.365	2.914	20	30		DFEDHN
C=CCOCCN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000496414447	340004925	/nfs/dbraw/zinc/00/49/25/340004925.db2.gz	HRZVQYSJLNIHIY-SFHVURJKSA-N	0	3	324.465	2.912	20	30		DFEDHN
C=C(C)CN1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000496767735	340012473	/nfs/dbraw/zinc/01/24/73/340012473.db2.gz	QRSIDKJVITUSCR-UHFFFAOYSA-N	0	3	312.454	2.910	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(C)(C#N)CC2)C1	ZINC000496784512	340012898	/nfs/dbraw/zinc/01/28/98/340012898.db2.gz	JUFPOJSABMPTJW-KSSFIOAISA-N	0	3	319.449	2.869	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(CNCC2(C#N)CCC2)CC1	ZINC000496830793	340014037	/nfs/dbraw/zinc/01/40/37/340014037.db2.gz	VDILSOABJICAFN-UHFFFAOYSA-N	0	3	307.438	2.917	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1	ZINC000507269094	340216298	/nfs/dbraw/zinc/21/62/98/340216298.db2.gz	VWSUTZPKEVKZKF-UONOGXRCSA-N	0	3	312.417	2.803	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000173655337	340370390	/nfs/dbraw/zinc/37/03/90/340370390.db2.gz	MLUYICSLJOZBTP-OAHLLOKOSA-N	0	3	301.434	2.523	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC3CCC3)c2)nc(C)n1	ZINC000542776651	341020056	/nfs/dbraw/zinc/02/00/56/341020056.db2.gz	OLXUZKPTARDIMA-OAHLLOKOSA-N	0	3	322.368	2.910	20	30		DFEDHN
N#CCc1cccc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1	ZINC000545844486	341143091	/nfs/dbraw/zinc/14/30/91/341143091.db2.gz	AEMTVOICPQXUCN-HUUCEWRRSA-N	0	3	321.384	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000547652526	341225262	/nfs/dbraw/zinc/22/52/62/341225262.db2.gz	DYFUWGHIFHIFLV-UHFFFAOYSA-N	0	3	303.793	2.592	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000079221506	341255499	/nfs/dbraw/zinc/25/54/99/341255499.db2.gz	GWRKXRXGOFHRCA-KRWDZBQOSA-N	0	3	303.450	2.767	20	30		DFEDHN
C[C@H](O)[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000136823251	341267712	/nfs/dbraw/zinc/26/77/12/341267712.db2.gz	FWXMYWYTUAFHSZ-DOTOQJQBSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1OC	ZINC000136842482	341268028	/nfs/dbraw/zinc/26/80/28/341268028.db2.gz	RHUBIDAJICPPGN-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000245902016	341317740	/nfs/dbraw/zinc/31/77/40/341317740.db2.gz	BEDSRSVHPYKMFP-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000551892727	341354242	/nfs/dbraw/zinc/35/42/42/341354242.db2.gz	XGKVOFVSASUQGG-USXIJHARSA-N	0	3	314.433	2.528	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1	ZINC000565713082	341535988	/nfs/dbraw/zinc/53/59/88/341535988.db2.gz	NBXSJWOBOYKYFQ-UHFFFAOYSA-N	0	3	318.465	2.752	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000567232956	341590303	/nfs/dbraw/zinc/59/03/03/341590303.db2.gz	RRFMICYYOLUKLW-WMLDXEAASA-N	0	3	301.434	2.999	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1cnccc1C	ZINC000567697486	341628153	/nfs/dbraw/zinc/62/81/53/341628153.db2.gz	ZRPLMKIVACREGF-GOSISDBHSA-N	0	3	312.413	2.648	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(OC)CCCC1)C(C)C	ZINC000567993602	341644359	/nfs/dbraw/zinc/64/43/59/341644359.db2.gz	OXMFOPAFYJOGOT-INIZCTEOSA-N	0	3	308.466	2.760	20	30		DFEDHN
C[C@@H](c1ccccc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000298799287	534102323	/nfs/dbraw/zinc/10/23/23/534102323.db2.gz	KDBLLUQYQOEFQV-MAUKXSAKSA-N	0	3	310.397	2.991	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000364218367	522814601	/nfs/dbraw/zinc/81/46/01/522814601.db2.gz	ONTDSDDKINUNHO-UHFFFAOYSA-N	0	3	310.401	2.739	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000246352192	523527343	/nfs/dbraw/zinc/52/73/43/523527343.db2.gz	WXVSTSZUXDOPPC-WMZOPIPTSA-N	0	3	300.402	2.694	20	30		DFEDHN
Cc1ccn(C2CCN(CCOc3cccc(C#N)c3)CC2)n1	ZINC000364993944	525586735	/nfs/dbraw/zinc/58/67/35/525586735.db2.gz	BDMUGEBNZKZDHT-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#Cc1cc(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-]	ZINC000157651514	526571130	/nfs/dbraw/zinc/57/11/30/526571130.db2.gz	LVYZJIINHMQBGH-UHFFFAOYSA-N	0	3	322.368	2.937	20	30		DFEDHN
CC(C)[C@]1(CO)CCCN(CCOc2cccc(C#N)c2)C1	ZINC000292936100	527991272	/nfs/dbraw/zinc/99/12/72/527991272.db2.gz	CXRKURDZSIUDQF-GOSISDBHSA-N	0	3	302.418	2.668	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000358562389	535115072	/nfs/dbraw/zinc/11/50/72/535115072.db2.gz	UQWNWXNOFPNKMR-ZBFHGGJFSA-N	0	3	319.424	2.705	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000174508685	535414608	/nfs/dbraw/zinc/41/46/08/535414608.db2.gz	YHARJKDFAUQABL-HZPDHXFCSA-N	0	3	310.401	2.643	20	30		DFEDHN
CO[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000237093527	536509731	/nfs/dbraw/zinc/50/97/31/536509731.db2.gz	YJDSDQQNJXVAON-KRWDZBQOSA-N	0	3	306.369	2.683	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cn(C)nc1-c1cc2ccccc2o1	ZINC000680483811	545500837	/nfs/dbraw/zinc/50/08/37/545500837.db2.gz	BJJVSILLDMLYGA-HNNXBMFYSA-N	0	3	311.385	2.860	20	30		DFEDHN
CCC#C[C@@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000681929029	545755131	/nfs/dbraw/zinc/75/51/31/545755131.db2.gz	ZBTMTXQDBYNQIS-SOLBZPMBSA-N	0	3	302.466	2.537	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1C[C@H](F)CN1Cc1cc(C)no1	ZINC000684206913	546172518	/nfs/dbraw/zinc/17/25/18/546172518.db2.gz	NKYANEOCBFLJNI-JYJNAYRXSA-N	0	3	307.413	2.629	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccc(F)cc32)CC1	ZINC000684433852	546217892	/nfs/dbraw/zinc/21/78/92/546217892.db2.gz	BKJBXTANMUYSJG-KRWDZBQOSA-N	0	3	302.393	2.622	20	30		DFEDHN
C=CCN1CC[C@@H](N2Cc3ccccc3N(C)C[C@@H]2CC)C1=O	ZINC000685002137	546317775	/nfs/dbraw/zinc/31/77/75/546317775.db2.gz	WQHHTKIFSASXQW-FUHWJXTLSA-N	0	3	313.445	2.504	20	30		DFEDHN
C=CCOc1cccc(CNCc2ccc(CC(N)=O)cc2)c1	ZINC000685623840	546376457	/nfs/dbraw/zinc/37/64/57/546376457.db2.gz	AMPKKYXTMIMUCS-UHFFFAOYSA-N	0	3	310.397	2.569	20	30		DFEDHN
C=CCCC[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000735413678	599270003	/nfs/dbraw/zinc/27/00/03/599270003.db2.gz	XGFNTYGITYXHNO-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
C=CCCC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735413678	599270005	/nfs/dbraw/zinc/27/00/05/599270005.db2.gz	XGFNTYGITYXHNO-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1	ZINC000823894101	607684263	/nfs/dbraw/zinc/68/42/63/607684263.db2.gz	HJTGFSALVLJNMU-OAHLLOKOSA-N	0	3	301.369	2.840	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1	ZINC000823894101	607684265	/nfs/dbraw/zinc/68/42/65/607684265.db2.gz	HJTGFSALVLJNMU-OAHLLOKOSA-N	0	3	301.369	2.840	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)C1CC1	ZINC000823894344	608283552	/nfs/dbraw/zinc/28/35/52/608283552.db2.gz	NQXKPJMZBKGQRK-OAHLLOKOSA-N	0	3	301.369	2.840	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1	ZINC000823894344	608283554	/nfs/dbraw/zinc/28/35/54/608283554.db2.gz	NQXKPJMZBKGQRK-OAHLLOKOSA-N	0	3	301.369	2.840	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC=C(c3ccncc3)C2)cc1	ZINC000286537641	219042191	/nfs/dbraw/zinc/04/21/91/219042191.db2.gz	RQCJMRAQSWUCEI-LJQANCHMSA-N	0	3	305.381	2.776	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000076737934	185037532	/nfs/dbraw/zinc/03/75/32/185037532.db2.gz	JGOFCWDHPBUIGJ-CYBMUJFWSA-N	0	3	306.406	2.929	20	30		DFEDHN
CCOC(=O)N1CC[C@@H](N[C@H](CC)c2ccc(C#N)cc2)C1	ZINC000278369294	214123104	/nfs/dbraw/zinc/12/31/04/214123104.db2.gz	CAOLKHBLXPECIA-HZPDHXFCSA-N	0	3	301.390	2.830	20	30		DFEDHN
C=CCOc1ccc(CN[C@@]2(CCO)CCOC2)cc1Cl	ZINC000278461527	214169130	/nfs/dbraw/zinc/16/91/30/214169130.db2.gz	FBGUWVDUVSJNHB-INIZCTEOSA-N	0	3	311.809	2.536	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCSC3)C2=O)cc1	ZINC000272864334	210257779	/nfs/dbraw/zinc/25/77/79/210257779.db2.gz	NMSALYVYNZVUED-ZBFHGGJFSA-N	0	3	315.442	2.539	20	30		DFEDHN
C=CCn1c(C)nnc1SCCN(C)Cc1ccccc1	ZINC000278543125	214225151	/nfs/dbraw/zinc/22/51/51/214225151.db2.gz	KEZHVAOLTHPWFO-UHFFFAOYSA-N	0	3	302.447	2.997	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1Cl	ZINC000278574063	214246469	/nfs/dbraw/zinc/24/64/69/214246469.db2.gz	FAOMBRFQYFPWDE-LRDDRELGSA-N	0	3	311.809	2.534	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@H](C)N1C	ZINC000311554738	231118877	/nfs/dbraw/zinc/11/88/77/231118877.db2.gz	QKJSFPAVDMYHND-TXEJJXNPSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](C)c2cc(C(=O)OC)co2)CC1	ZINC000278768357	214387162	/nfs/dbraw/zinc/38/71/62/214387162.db2.gz	PANYDWONSKSYPA-ZDUSSCGKSA-N	0	3	306.406	2.757	20	30		DFEDHN
Cc1cccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)n1	ZINC000321423881	231202139	/nfs/dbraw/zinc/20/21/39/231202139.db2.gz	JFJDHLZAYIPKTG-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC	ZINC000472573406	398348074	/nfs/dbraw/zinc/34/80/74/398348074.db2.gz	GWVFEKRAKQVOPE-ULQDDVLXSA-N	0	3	309.450	2.757	20	30		DFEDHN
CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1C	ZINC000596176800	398348170	/nfs/dbraw/zinc/34/81/70/398348170.db2.gz	JLQYRQFCNLVAHI-STQMWFEESA-N	0	3	302.378	2.694	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3ncncc3C#N)CC2)CC1	ZINC000591925645	398355740	/nfs/dbraw/zinc/35/57/40/398355740.db2.gz	JKRMBWCNSDSFGI-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)CCN(C2CCC2)C1	ZINC000596241224	398365351	/nfs/dbraw/zinc/36/53/51/398365351.db2.gz	PLHHNOOTAUVLPH-JTQLQIEISA-N	0	3	310.854	2.979	20	30		DFEDHN
N#CC1(CCN2CCC(Cn3cncn3)CC2)CCCCC1	ZINC000578163204	398370733	/nfs/dbraw/zinc/37/07/33/398370733.db2.gz	OSENYTQFHSWMGS-UHFFFAOYSA-N	0	3	301.438	2.854	20	30		DFEDHN
N#Cc1cccc(Cl)c1N1CCC(N2CCCOCC2)CC1	ZINC000596269414	398372822	/nfs/dbraw/zinc/37/28/22/398372822.db2.gz	TZBSHGSBNJIQEW-UHFFFAOYSA-N	0	3	319.836	2.903	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1ccnc(Oc2ccccc2)c1	ZINC000592022492	398374355	/nfs/dbraw/zinc/37/43/55/398374355.db2.gz	AJGCXYMUDNSLQS-MRXNPFEDSA-N	0	3	324.384	2.511	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)c2ccn(CCN(C)C)n2)CCCC1(C)C	ZINC000579491403	398381191	/nfs/dbraw/zinc/38/11/91/398381191.db2.gz	AIFRBSGEXYJJOS-INIZCTEOSA-N	0	3	318.465	2.652	20	30		DFEDHN
CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000181323286	199281114	/nfs/dbraw/zinc/28/11/14/199281114.db2.gz	DYTBTAVYMLOQNW-GOSISDBHSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](CC(=O)OC(C)C)c1ccccc1	ZINC000272832102	210231174	/nfs/dbraw/zinc/23/11/74/210231174.db2.gz	LGZXHPDZEGOGSR-IAGOWNOFSA-N	0	3	305.418	2.986	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccnc(Cl)c2)CC1	ZINC000090554065	185302859	/nfs/dbraw/zinc/30/28/59/185302859.db2.gz	IOGGWMYYXFTORG-ONEGZZNKSA-N	0	3	319.836	2.905	20	30		DFEDHN
Clc1ccc(C#CCN2CCC(c3nc[nH]n3)CC2)cc1	ZINC000083442978	398387356	/nfs/dbraw/zinc/38/73/56/398387356.db2.gz	GAIRUYABIXJZOF-UHFFFAOYSA-N	0	3	300.793	2.689	20	30		DFEDHN
N#CC[C@]1(O)CCN(CCCOc2cccc3ccccc32)C1	ZINC000592152134	398392842	/nfs/dbraw/zinc/39/28/42/398392842.db2.gz	ULNJKANOUKOVQO-IBGZPJMESA-N	0	3	310.397	2.959	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN3CC[C@@H](CO)C3)c2)c1	ZINC000092764453	185338982	/nfs/dbraw/zinc/33/89/82/185338982.db2.gz	SNCBPGPOUFLIBI-LJQANCHMSA-N	0	3	322.408	2.951	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(c3cnn(C)c3)CC2)cc1	ZINC000092808831	185343047	/nfs/dbraw/zinc/34/30/47/185343047.db2.gz	IJIOJNDLVLTVQV-UHFFFAOYSA-N	0	3	309.413	2.812	20	30		DFEDHN
N#CCCOCCN[C@@H](c1ccccc1)C1(CO)CC=CC1	ZINC000592178041	398397112	/nfs/dbraw/zinc/39/71/12/398397112.db2.gz	VCOVFGPRUZVSFQ-KRWDZBQOSA-N	0	3	300.402	2.576	20	30		DFEDHN
CC(C)(C)[C@@H](CCO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000181460724	199299500	/nfs/dbraw/zinc/29/95/00/199299500.db2.gz	OGANOQJZJIFQKK-CQSZACIVSA-N	0	3	323.824	2.537	20	30		DFEDHN
Cc1cc(C)cc(CCNCc2cnc3c(C#N)cnn3c2)c1	ZINC000584719933	398402040	/nfs/dbraw/zinc/40/20/40/398402040.db2.gz	APSYOTDUYGFRTL-UHFFFAOYSA-N	0	3	305.385	2.550	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCN(C)C1	ZINC000592214814	398404003	/nfs/dbraw/zinc/40/40/03/398404003.db2.gz	XJFYANSWDVMEOD-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
CC[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1	ZINC000066905083	398405839	/nfs/dbraw/zinc/40/58/39/398405839.db2.gz	HHHJYPMWNVXYAE-GOSISDBHSA-N	0	3	310.397	2.998	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1	ZINC000066922371	398407220	/nfs/dbraw/zinc/40/72/20/398407220.db2.gz	MSZGZFMKZWDVAP-KRWDZBQOSA-N	0	3	316.832	2.789	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](CC#N)C2)c1	ZINC000596447175	398415251	/nfs/dbraw/zinc/41/52/51/398415251.db2.gz	MONHBOKMJNMJJV-AWEZNQCLSA-N	0	3	300.406	2.906	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(Cl)c2OC)CC1	ZINC000067232593	398424856	/nfs/dbraw/zinc/42/48/56/398424856.db2.gz	CKPXFRYPLCEEGX-UHFFFAOYSA-N	0	3	306.793	2.632	20	30		DFEDHN
CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)NCc1cccs1	ZINC000592398434	398421146	/nfs/dbraw/zinc/42/11/46/398421146.db2.gz	YYLUQCIIMFROHG-IPYPFGDCSA-N	0	3	305.447	2.815	20	30		DFEDHN
CC[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)NCc1cccs1	ZINC000592398436	398421183	/nfs/dbraw/zinc/42/11/83/398421183.db2.gz	YYLUQCIIMFROHG-YDHLFZDLSA-N	0	3	305.447	2.815	20	30		DFEDHN
CN(CCNc1nc2ccccn2c1C#N)Cc1ccc(F)cc1	ZINC000302204988	529918344	/nfs/dbraw/zinc/91/83/44/529918344.db2.gz	WNKYSLQTIQVRCI-UHFFFAOYSA-N	0	3	323.375	2.889	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3c2cccc3C)CC1	ZINC000592520899	398439965	/nfs/dbraw/zinc/43/99/65/398439965.db2.gz	UYYDPWGZSKTJKO-SFHVURJKSA-N	0	3	313.445	2.932	20	30		DFEDHN
CC1(C)CN(C[C@@H]2CNc3c(C#N)cnn3C2)[C@H]1c1ccccc1	ZINC000592499897	398434772	/nfs/dbraw/zinc/43/47/72/398434772.db2.gz	CBJRUFHCBZWISK-YOEHRIQHSA-N	0	3	321.428	2.880	20	30		DFEDHN
CC(C)(C#N)CCCN(Cc1ccccc1)[C@]1(CO)CCOC1	ZINC000585718795	398441795	/nfs/dbraw/zinc/44/17/95/398441795.db2.gz	YRHZROOECGXHMQ-IBGZPJMESA-N	0	3	316.445	2.970	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)C1	ZINC000592524570	398441874	/nfs/dbraw/zinc/44/18/74/398441874.db2.gz	YOHSHTSNWLOYOB-BUIAKZPTSA-N	0	3	322.412	2.984	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000025866904	398446555	/nfs/dbraw/zinc/44/65/55/398446555.db2.gz	NURZQMZWOKXKAR-LJQANCHMSA-N	0	3	324.424	2.933	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])ccc2C)nc(C)n1	ZINC000067798087	398457311	/nfs/dbraw/zinc/45/73/11/398457311.db2.gz	XIYXZFRBSBRTFB-CQSZACIVSA-N	0	3	310.313	2.800	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596617596	398462114	/nfs/dbraw/zinc/46/21/14/398462114.db2.gz	UVPBAOIDHDJEGT-ULQDDVLXSA-N	0	3	320.481	2.878	20	30		DFEDHN
N#Cc1ccc(OC2CCN([C@H]3CCCOC3)CC2)c(F)c1	ZINC000586783663	398458815	/nfs/dbraw/zinc/45/88/15/398458815.db2.gz	XQQRJYGFBDNSKG-AWEZNQCLSA-N	0	3	304.365	2.720	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN(C)Cc2cccc(C#N)c2)cc1	ZINC000027208092	398460367	/nfs/dbraw/zinc/46/03/67/398460367.db2.gz	OVKICSFCNSDDFQ-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000587985111	398473506	/nfs/dbraw/zinc/47/35/06/398473506.db2.gz	RLJOFYTVZAYTJL-ZYHUDNBSSA-N	0	3	303.797	2.754	20	30		DFEDHN
C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cccc(C#N)c1	ZINC000181729276	199344331	/nfs/dbraw/zinc/34/43/31/199344331.db2.gz	NVIRFZKNKQIVLM-HNAYVOBHSA-N	0	3	321.424	2.908	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccc(C#N)cc1	ZINC000272723927	210129425	/nfs/dbraw/zinc/12/94/25/210129425.db2.gz	JOJJFMQBNXCMLM-KGLIPLIRSA-N	0	3	312.417	2.569	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1	ZINC000068118811	398480576	/nfs/dbraw/zinc/48/05/76/398480576.db2.gz	NNUWCQJQXXWJAN-KTCZPQHMSA-N	0	3	317.433	2.517	20	30		DFEDHN
C=CCCSCCNC(=O)N1CCCC12CCN(C)CC2	ZINC000596717618	398485407	/nfs/dbraw/zinc/48/54/07/398485407.db2.gz	NFNQLTILPVEZIT-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
N#CCCCCCC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000588284571	398492708	/nfs/dbraw/zinc/49/27/08/398492708.db2.gz	QKUSYARSLOZJIK-UHFFFAOYSA-N	0	3	323.506	2.938	20	30		DFEDHN
CC1(CC(F)F)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000592833844	398492793	/nfs/dbraw/zinc/49/27/93/398492793.db2.gz	BDUIYELQHBAEEA-AWEZNQCLSA-N	0	3	317.339	2.744	20	30		DFEDHN
CCN1CCC(n2nccc2NC(=O)CCCCCC#N)CC1	ZINC000588341621	398495286	/nfs/dbraw/zinc/49/52/86/398495286.db2.gz	ZXOKRUNNBPHFLX-UHFFFAOYSA-N	0	3	317.437	2.952	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000596761812	398495435	/nfs/dbraw/zinc/49/54/35/398495435.db2.gz	NXSKABVQZCHDAL-RDJZCZTQSA-N	0	3	318.465	2.729	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000030532653	398503256	/nfs/dbraw/zinc/50/32/56/398503256.db2.gz	WKNZWVTYYZYTOP-KSSFIOAISA-N	0	3	321.380	2.520	20	30		DFEDHN
Cc1cc(C#N)cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1	ZINC000588829663	398510335	/nfs/dbraw/zinc/51/03/35/398510335.db2.gz	MGNZHESPLLXSBM-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000308164925	398513025	/nfs/dbraw/zinc/51/30/25/398513025.db2.gz	GAOPBAMEMMXJTO-YOEHRIQHSA-N	0	3	321.428	2.843	20	30		DFEDHN
CCN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CCN(CC)C1	ZINC000596859215	398515731	/nfs/dbraw/zinc/51/57/31/398515731.db2.gz	IKTFSGIBJHTELI-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@@](C)(c2cccc(F)c2)C1	ZINC000593040867	398528353	/nfs/dbraw/zinc/52/83/53/398528353.db2.gz	NDMXVANJYPUIKR-GOSISDBHSA-N	0	3	317.408	2.551	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000091507189	398534270	/nfs/dbraw/zinc/53/42/70/398534270.db2.gz	PCPFBCLUGOFPTK-SFHVURJKSA-N	0	3	321.509	2.751	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](Cn4cncn4)C3)cc2)CC1	ZINC000596983642	398540362	/nfs/dbraw/zinc/54/03/62/398540362.db2.gz	GYYAMDMRNQXWPK-QGZVFWFLSA-N	0	3	321.428	2.745	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NC3(C4CCC4)CC3)C2=O)cc1	ZINC000593082061	398540451	/nfs/dbraw/zinc/54/04/51/398540451.db2.gz	PGTIMAPUJLYNOR-QGZVFWFLSA-N	0	3	309.413	2.976	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1	ZINC000589254191	398541250	/nfs/dbraw/zinc/54/12/50/398541250.db2.gz	PILIARXMEGPCKG-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CNCc2ccc(C#N)cc2)c1	ZINC000319674585	398543582	/nfs/dbraw/zinc/54/35/82/398543582.db2.gz	DJCZPEJAPPNHOR-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
CCn1cnnc1CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000589313601	398544487	/nfs/dbraw/zinc/54/44/87/398544487.db2.gz	DHBOZGKKTYKGCH-UHFFFAOYSA-N	0	3	323.322	2.521	20	30		DFEDHN
N#CCN1CCC(NCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000589311445	398544685	/nfs/dbraw/zinc/54/46/85/398544685.db2.gz	FUONCKBFEJACGY-UHFFFAOYSA-N	0	3	322.334	2.655	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000589332291	398546418	/nfs/dbraw/zinc/54/64/18/398546418.db2.gz	APYKFHWMZKUDJO-PBHICJAKSA-N	0	3	320.396	2.519	20	30		DFEDHN
CCN1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1	ZINC000320116035	398545651	/nfs/dbraw/zinc/54/56/51/398545651.db2.gz	OJZRGYGEWYVCLZ-NSHDSACASA-N	0	3	312.339	2.893	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC000272605541	210004859	/nfs/dbraw/zinc/00/48/59/210004859.db2.gz	QFTDVLCBUXPLED-GJZGRUSLSA-N	0	3	317.433	2.645	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000272605540	210003245	/nfs/dbraw/zinc/00/32/45/210003245.db2.gz	QFTDVLCBUXPLED-CABCVRRESA-N	0	3	317.433	2.645	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1	ZINC000593119350	398550452	/nfs/dbraw/zinc/55/04/52/398550452.db2.gz	WIFBNJIDZJOURU-HNNXBMFYSA-N	0	3	305.328	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C3CC3)cnc2Cl)CC1	ZINC000279774174	215133782	/nfs/dbraw/zinc/13/37/82/215133782.db2.gz	BJDWTZKEJUABHX-UHFFFAOYSA-N	0	3	319.836	2.993	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(C#N)n1)N(C)C	ZINC000589518576	398558316	/nfs/dbraw/zinc/55/83/16/398558316.db2.gz	WNTQARKYURGHDW-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CCN1CCCCC1)c1ccc(C#N)cc1	ZINC000593148981	398559040	/nfs/dbraw/zinc/55/90/40/398559040.db2.gz	AIMNYGJOHYKMQM-OAHLLOKOSA-N	0	3	314.433	2.747	20	30		DFEDHN
CC(C)(NC[C@H](O)COc1ccccc1C#N)c1ccccc1	ZINC000323688682	398560319	/nfs/dbraw/zinc/56/03/19/398560319.db2.gz	RCXGKOPDKUJYDG-KRWDZBQOSA-N	0	3	310.397	2.823	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CN2CCC(C)(C#N)CC2)cn1	ZINC000597084755	398563636	/nfs/dbraw/zinc/56/36/36/398563636.db2.gz	PHQNAHCWYLLZEL-DOTOQJQBSA-N	0	3	316.449	2.996	20	30		DFEDHN
Cc1nc(N2CCC[C@H]2[C@H]2CCCN2C)c(Cl)cc1C#N	ZINC000589687315	398570573	/nfs/dbraw/zinc/57/05/73/398570573.db2.gz	QROSZZCYQCIKEF-CABCVRRESA-N	0	3	304.825	2.978	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CNCC1(C#N)CCCC1	ZINC000597158606	398578648	/nfs/dbraw/zinc/57/86/48/398578648.db2.gz	RHZYFYJYGWESFN-LSDHHAIUSA-N	0	3	302.422	2.561	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000589879521	398581831	/nfs/dbraw/zinc/58/18/31/398581831.db2.gz	GLSSLJAFHVKCAA-SFHVURJKSA-N	0	3	316.445	2.923	20	30		DFEDHN
N#CC1(CC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1	ZINC000597176056	398582548	/nfs/dbraw/zinc/58/25/48/398582548.db2.gz	GWPIEWRSXWSAFY-MRXNPFEDSA-N	0	3	303.450	2.937	20	30		DFEDHN
C=CCOCCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000348167544	398582884	/nfs/dbraw/zinc/58/28/84/398582884.db2.gz	JXDACCRMWUQWEG-WBVHZDCISA-N	0	3	322.836	2.794	20	30		DFEDHN
N#CCCCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000589996253	398588760	/nfs/dbraw/zinc/58/87/60/398588760.db2.gz	SCRPTRJBLGXNJS-QGZVFWFLSA-N	0	3	315.417	2.666	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCC[C@@H]1C#N	ZINC000597195645	398587513	/nfs/dbraw/zinc/58/75/13/398587513.db2.gz	LTWGVLFWEHSLSU-JYYAWHABSA-N	0	3	302.422	2.560	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000590005499	398589668	/nfs/dbraw/zinc/58/96/68/398589668.db2.gz	SSPRNJUCGXGGOV-GOSISDBHSA-N	0	3	318.380	2.787	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCC[C@H]1CNCC1(C#N)CCCCC1	ZINC000597215621	398593796	/nfs/dbraw/zinc/59/37/96/398593796.db2.gz	IEHPROBKFIYBHZ-LSDHHAIUSA-N	0	3	302.422	2.561	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNCc2ccc(Cl)s2)cc1	ZINC000070284060	398594202	/nfs/dbraw/zinc/59/42/02/398594202.db2.gz	MAJMUBLMHIMZHR-LBPRGKRZSA-N	0	3	322.817	2.803	20	30		DFEDHN
C[C@@]1(C#N)CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	ZINC000597228792	398597691	/nfs/dbraw/zinc/59/76/91/398597691.db2.gz	GRDJFYYPGQPGAX-IBGZPJMESA-N	0	3	313.445	2.897	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597229477	398597919	/nfs/dbraw/zinc/59/79/19/398597919.db2.gz	LMIILNYMXQCEGW-CYBMUJFWSA-N	0	3	321.371	2.831	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CCc2ccccc21	ZINC000597238700	398601754	/nfs/dbraw/zinc/60/17/54/398601754.db2.gz	HYJKYZIQDONSCV-MRXNPFEDSA-N	0	3	317.396	2.763	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@]1(C)CO	ZINC000597236820	398600925	/nfs/dbraw/zinc/60/09/25/398600925.db2.gz	UHOKYGXUKHVFCI-CRAIPNDOSA-N	0	3	302.418	2.819	20	30		DFEDHN
C[C@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000597260314	398609806	/nfs/dbraw/zinc/60/98/06/398609806.db2.gz	CVNIDUWWXMMTKQ-LLVKDONJSA-N	0	3	309.797	2.769	20	30		DFEDHN
C=CCOc1ccc(CN2CCC([C@@H](C)O)CC2)cc1OC	ZINC000092970200	398610406	/nfs/dbraw/zinc/61/04/06/398610406.db2.gz	WUKDLLTUSZJUJK-CQSZACIVSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CC1(C#N)CC1	ZINC000590289601	398610508	/nfs/dbraw/zinc/61/05/08/398610508.db2.gz	MTISMEUDMLCQQE-INIZCTEOSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN1C[C@H]2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)[C@@H]2C1	ZINC000590446558	398622620	/nfs/dbraw/zinc/62/26/20/398622620.db2.gz	WGOOGSDAWRPOTK-ZWNOBZJWSA-N	0	3	324.211	2.641	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1OC	ZINC000280740544	334970307	/nfs/dbraw/zinc/97/03/07/334970307.db2.gz	WULQLHLMBMQALF-SCLBCKFNSA-N	0	3	321.417	2.783	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]2C[C@H](C)O)cc(OC)c1O	ZINC000093482493	398639554	/nfs/dbraw/zinc/63/95/54/398639554.db2.gz	GVGXIMOZTYCVJZ-BBRMVZONSA-N	0	3	305.418	2.865	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1	ZINC000265140316	186338031	/nfs/dbraw/zinc/33/80/31/186338031.db2.gz	MUVVBCJTKMFFOX-MRXNPFEDSA-N	0	3	302.422	2.512	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nnc(CCCC)s2)CC1	ZINC000171739822	197977855	/nfs/dbraw/zinc/97/78/55/197977855.db2.gz	GTENPZXNDYNCBU-UHFFFAOYSA-N	0	3	323.466	2.653	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1cccc(CC#N)c1)Cc1ccccc1	ZINC000044868405	398657200	/nfs/dbraw/zinc/65/72/00/398657200.db2.gz	XGWOGISAWQDDEM-IBGZPJMESA-N	0	3	321.424	2.655	20	30		DFEDHN
C=CCOCCNCc1ccc(I)cc1	ZINC000379812825	398658860	/nfs/dbraw/zinc/65/88/60/398658860.db2.gz	AYACTBBEQNVAJM-UHFFFAOYSA-N	0	3	317.170	2.583	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc2ccccc2c1	ZINC000593594977	398659273	/nfs/dbraw/zinc/65/92/73/398659273.db2.gz	JGWCBANKIHWMDO-WBMJQRKESA-N	0	3	310.353	2.720	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1	ZINC000381078765	398659923	/nfs/dbraw/zinc/65/99/23/398659923.db2.gz	SAIIJVXEXWZTFD-VOLNDZDFSA-N	0	3	311.429	2.705	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](SC)c2ccccc2)CC1	ZINC000172542766	198112589	/nfs/dbraw/zinc/11/25/89/198112589.db2.gz	UAZQZHLQPWNKBC-INIZCTEOSA-N	0	3	304.459	2.857	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)CC2(C#N)CC2)CCC1	ZINC000590773952	398671263	/nfs/dbraw/zinc/67/12/63/398671263.db2.gz	FUXAAFGUTHCQFD-UHFFFAOYSA-N	0	3	311.429	2.851	20	30		DFEDHN
CCn1cncc1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593691579	398671501	/nfs/dbraw/zinc/67/15/01/398671501.db2.gz	CNOZZJAODYRYCX-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NCc1cccc(C#N)c1	ZINC000331717045	234038624	/nfs/dbraw/zinc/03/86/24/234038624.db2.gz	OYPBFPPLZRALCZ-FHLIZLRMSA-N	0	3	311.429	2.827	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597648959	398673642	/nfs/dbraw/zinc/67/36/42/398673642.db2.gz	TVIKUUCJHDUPQA-AAEUAGOBSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597646991	398673812	/nfs/dbraw/zinc/67/38/12/398673812.db2.gz	IYJDXKOPEIYYRU-UHFFFAOYSA-N	0	3	321.371	2.784	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1	ZINC000597658745	398675977	/nfs/dbraw/zinc/67/59/77/398675977.db2.gz	WMTQUFCZPWUKDN-WMLDXEAASA-N	0	3	317.433	2.742	20	30		DFEDHN
CSC1(CNC(=O)CC2(C#N)CCCCC2)CCN(C)CC1	ZINC000597668968	398677391	/nfs/dbraw/zinc/67/73/91/398677391.db2.gz	KFHMPIFALNSKIE-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1	ZINC000072862182	191243565	/nfs/dbraw/zinc/24/35/65/191243565.db2.gz	ALWACFWYBBTDPI-HNNXBMFYSA-N	0	3	303.431	2.714	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1=O	ZINC000281199969	334977104	/nfs/dbraw/zinc/97/71/04/334977104.db2.gz	CKJVSPXDRRYTQF-OWCLPIDISA-N	0	3	320.820	2.547	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)c2c(C)noc2C)CC1	ZINC000106035219	398695486	/nfs/dbraw/zinc/69/54/86/398695486.db2.gz	YMLDMDSDRAAVPW-LBPRGKRZSA-N	0	3	305.422	2.552	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C#N)c1	ZINC000182081485	199384811	/nfs/dbraw/zinc/38/48/11/199384811.db2.gz	JBCXQQCTDXTUHY-HNNXBMFYSA-N	0	3	307.397	2.809	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)c1cc2ccccc2n1CC#N	ZINC000593882928	398699817	/nfs/dbraw/zinc/69/98/17/398699817.db2.gz	LPSWNBHONQLJJF-UHFFFAOYSA-N	0	3	324.428	2.723	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1F	ZINC000597829025	398702934	/nfs/dbraw/zinc/70/29/34/398702934.db2.gz	MFAUFGGHEQAELO-HOTGVXAUSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1F	ZINC000597829023	398703005	/nfs/dbraw/zinc/70/30/05/398703005.db2.gz	MFAUFGGHEQAELO-CVEARBPZSA-N	0	3	319.355	2.583	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc([C@H](N)CCCCC#N)n2)cc1	ZINC000593943350	398706283	/nfs/dbraw/zinc/70/62/83/398706283.db2.gz	MJZCVORAOLBTHL-OAHLLOKOSA-N	0	3	313.405	2.882	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000597864301	398707460	/nfs/dbraw/zinc/70/74/60/398707460.db2.gz	MNNXPPBIPDGYOZ-PBHICJAKSA-N	0	3	318.380	2.555	20	30		DFEDHN
CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C#N)cc1	ZINC000174835525	198391476	/nfs/dbraw/zinc/39/14/76/198391476.db2.gz	RZTSUSXQXTWVSA-UHFFFAOYSA-N	0	3	313.361	2.574	20	30		DFEDHN
Cn1c(C#N)ccc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000590979863	398711872	/nfs/dbraw/zinc/71/18/72/398711872.db2.gz	PURPYTHNJBUZSO-MRXNPFEDSA-N	0	3	320.396	2.522	20	30		DFEDHN
COc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000597897081	398715329	/nfs/dbraw/zinc/71/53/29/398715329.db2.gz	JIRHVJATODOUTG-QGZVFWFLSA-N	0	3	323.396	2.821	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1	ZINC000597899854	398715838	/nfs/dbraw/zinc/71/58/38/398715838.db2.gz	QZLKNPQIFRCAEV-SWLSCSKDSA-N	0	3	314.385	2.614	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C2CCC2)C1	ZINC000591061974	398720639	/nfs/dbraw/zinc/72/06/39/398720639.db2.gz	PXMNWCYQFUUJCH-ZBFHGGJFSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1(N(C)C)CCC1	ZINC000594010959	398720317	/nfs/dbraw/zinc/72/03/17/398720317.db2.gz	ZIGCLUQCAFGQHC-HNNXBMFYSA-N	0	3	313.445	2.680	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)nc1	ZINC000594015294	398721838	/nfs/dbraw/zinc/72/18/38/398721838.db2.gz	IFYSGPRHELTTAA-WOJBJXKFSA-N	0	3	321.424	2.911	20	30		DFEDHN
CC(C)(NC(=O)[C@H](C1CC1)N1CCCC1)c1cccc(C#N)c1	ZINC000597954022	398727189	/nfs/dbraw/zinc/72/71/89/398727189.db2.gz	FZCXSICFCMOUPI-KRWDZBQOSA-N	0	3	311.429	2.784	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1	ZINC000130495748	283050796	/nfs/dbraw/zinc/05/07/96/283050796.db2.gz	USIZDRAUBKCEMW-UHFFFAOYSA-N	0	3	307.397	2.892	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCc3nc[nH]c3C2)c1Cl	ZINC000377790102	283074641	/nfs/dbraw/zinc/07/46/41/283074641.db2.gz	WQHVYGKKFKEGOD-SNVBAGLBSA-N	0	3	304.756	2.721	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCc3[nH]cnc3C2)c1Cl	ZINC000377790102	283074642	/nfs/dbraw/zinc/07/46/42/283074642.db2.gz	WQHVYGKKFKEGOD-SNVBAGLBSA-N	0	3	304.756	2.721	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1oc(C)nc1C)C(C)C	ZINC000073640473	191335738	/nfs/dbraw/zinc/33/57/38/191335738.db2.gz	YOVXEJLHTQJCHI-OAHLLOKOSA-N	0	3	305.422	2.720	20	30		DFEDHN
CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCN(CC)C1	ZINC000598038236	398741556	/nfs/dbraw/zinc/74/15/56/398741556.db2.gz	BAFNEPNTJIQRIM-ROUUACIJSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1scc(C)c1C#N	ZINC000594107821	398745049	/nfs/dbraw/zinc/74/50/49/398745049.db2.gz	MTWLWWAAQYGUII-LBPRGKRZSA-N	0	3	306.435	2.924	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1CCO	ZINC000598066265	398746346	/nfs/dbraw/zinc/74/63/46/398746346.db2.gz	CEUVXJCWUPDLAB-NXHRZFHOSA-N	0	3	314.429	2.768	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)c2ncc(C)s2)CC1	ZINC000080121144	192002399	/nfs/dbraw/zinc/00/23/99/192002399.db2.gz	NRBNTAVDRHCXLZ-UHFFFAOYSA-N	0	3	322.478	2.636	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594195310	398762699	/nfs/dbraw/zinc/76/26/99/398762699.db2.gz	FFSMSXRAEXISDR-RDGPPVDQSA-N	0	3	323.440	2.795	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1Cl	ZINC000594194892	398762776	/nfs/dbraw/zinc/76/27/76/398762776.db2.gz	AFZUPSPZLPILRD-HZPDHXFCSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2)CC1	ZINC000594197464	398763433	/nfs/dbraw/zinc/76/34/33/398763433.db2.gz	OIBLCVOMVHPAHB-ZWKOTPCHSA-N	0	3	323.440	2.988	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN(C)C[C@H]2CCCN2C)c1C#N	ZINC000591479474	398767579	/nfs/dbraw/zinc/76/75/79/398767579.db2.gz	YCOSQUYMIUXQTH-QGZVFWFLSA-N	0	3	323.444	2.578	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@H](C)C1	ZINC000594234224	398770379	/nfs/dbraw/zinc/77/03/79/398770379.db2.gz	JOUOZTURIMZGBF-HOTGVXAUSA-N	0	3	313.445	2.585	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000264639096	283167198	/nfs/dbraw/zinc/16/71/98/283167198.db2.gz	VMNOWNQFTRCMAQ-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCCC1	ZINC000594231382	398769734	/nfs/dbraw/zinc/76/97/34/398769734.db2.gz	SEPZZZFAEZOACI-INIZCTEOSA-N	0	3	313.445	2.729	20	30		DFEDHN
COc1ccccc1-c1cccc(NC(=O)[C@@]2(C#N)CCNC2)c1	ZINC000591594024	398774314	/nfs/dbraw/zinc/77/43/14/398774314.db2.gz	NQFQJNSYTMJZDC-LJQANCHMSA-N	0	3	321.380	2.804	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c2ncccc12	ZINC000591595026	398774338	/nfs/dbraw/zinc/77/43/38/398774338.db2.gz	WBOJHLSMISWNTR-LBPRGKRZSA-N	0	3	302.765	2.848	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000598218109	398772954	/nfs/dbraw/zinc/77/29/54/398772954.db2.gz	GAZLCWZTGFMHKU-CYBMUJFWSA-N	0	3	301.390	2.597	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)s1	ZINC000598220488	398773350	/nfs/dbraw/zinc/77/33/50/398773350.db2.gz	PVDRWNMRBSNYOC-LBPRGKRZSA-N	0	3	303.431	2.757	20	30		DFEDHN
N#C[C@]1(C(=O)NCCc2cccc(-c3ccccc3)c2)CCNC1	ZINC000591614008	398776395	/nfs/dbraw/zinc/77/63/95/398776395.db2.gz	DTEOCSSFWRGTQU-HXUWFJFHSA-N	0	3	319.408	2.516	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1	ZINC000591607256	398776091	/nfs/dbraw/zinc/77/60/91/398776091.db2.gz	FGMLCISECCXALC-IAGOWNOFSA-N	0	3	317.408	2.770	20	30		DFEDHN
Cc1ccc(-c2csc(NC(=O)[C@]3(C#N)CCNC3)n2)cc1	ZINC000591592204	398774809	/nfs/dbraw/zinc/77/48/09/398774809.db2.gz	RNPXANZKUZFJNJ-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
Cc1cc(NC(=O)[C@@]2(C#N)CCNC2)cc(C)c1Br	ZINC000591636502	398777788	/nfs/dbraw/zinc/77/77/88/398777788.db2.gz	JUEITAUSZYEBLY-CQSZACIVSA-N	0	3	322.206	2.508	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C2	ZINC000594283170	398778998	/nfs/dbraw/zinc/77/89/98/398778998.db2.gz	DBWVKGSVLDOGMA-QZTJIDSGSA-N	0	3	324.428	2.600	20	30		DFEDHN
N#CCSCCCN1Cc2ccccc2[C@H](n2cccn2)C1	ZINC000074991133	398779156	/nfs/dbraw/zinc/77/91/56/398779156.db2.gz	XJMVFBXOQUMRAG-QGZVFWFLSA-N	0	3	312.442	2.935	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCCC(=O)OC(C)(C)C)CC1	ZINC000594291729	398779788	/nfs/dbraw/zinc/77/97/88/398779788.db2.gz	KORBAXAKCJAVCB-UHFFFAOYSA-N	0	3	324.465	2.655	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCc3c2cccc3-c2ccccc2)CCNC1	ZINC000591637973	398778038	/nfs/dbraw/zinc/77/80/38/398778038.db2.gz	IBUXEYDBPGFPKE-HXUWFJFHSA-N	0	3	317.392	2.746	20	30		DFEDHN
N#CCCCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000594307902	398782067	/nfs/dbraw/zinc/78/20/67/398782067.db2.gz	BNJPJPYFQJLYPQ-UHFFFAOYSA-N	0	3	315.417	2.666	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1cccc(C#N)n1	ZINC000594361563	398787037	/nfs/dbraw/zinc/78/70/37/398787037.db2.gz	DFDTXXIMIMCMLU-UHFFFAOYSA-N	0	3	309.373	2.623	20	30		DFEDHN
Cc1cc(NC(=O)CCCCC#N)ccc1OCCN(C)C	ZINC000594368499	398787749	/nfs/dbraw/zinc/78/77/49/398787749.db2.gz	BAAMGLYTPASFSA-UHFFFAOYSA-N	0	3	303.406	2.958	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@@H](O)CNCC(C)(C)CC#N)c1	ZINC000591770355	398786310	/nfs/dbraw/zinc/78/63/10/398786310.db2.gz	WLEMQNCVLLTTFK-ZDUSSCGKSA-N	0	3	310.825	2.918	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000591850148	398794729	/nfs/dbraw/zinc/79/47/29/398794729.db2.gz	OJBJTGYNOICYIK-JJRVBVJISA-N	0	3	314.433	2.601	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1	ZINC000591851611	398795312	/nfs/dbraw/zinc/79/53/12/398795312.db2.gz	FMQMIXFFMKYUBP-QGZVFWFLSA-N	0	3	309.417	2.916	20	30		DFEDHN
Cc1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2s1	ZINC000594425161	398797783	/nfs/dbraw/zinc/79/77/83/398797783.db2.gz	KFYCQVCRHJDJFP-LBPRGKRZSA-N	0	3	302.403	2.955	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCCC#N	ZINC000594426546	398797855	/nfs/dbraw/zinc/79/78/55/398797855.db2.gz	DXVPAFHMQDIGBU-QGZVFWFLSA-N	0	3	315.417	2.621	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C(=O)[C@@H](N)CCCCC#N	ZINC000594425925	398797953	/nfs/dbraw/zinc/79/79/53/398797953.db2.gz	BNTXSJXBOITHAV-AWEZNQCLSA-N	0	3	323.824	2.588	20	30		DFEDHN
Cc1ccc(SCCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594425410	398797972	/nfs/dbraw/zinc/79/79/72/398797972.db2.gz	INTSUUITVGAZTI-HNNXBMFYSA-N	0	3	305.447	2.615	20	30		DFEDHN
Cc1ccc(CSCCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594424976	398798043	/nfs/dbraw/zinc/79/80/43/398798043.db2.gz	FMUCCOJQIRHDKI-INIZCTEOSA-N	0	3	319.474	2.756	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1	ZINC000178094832	198815042	/nfs/dbraw/zinc/81/50/42/198815042.db2.gz	QULHFJXXYACGCK-KGLIPLIRSA-N	0	3	302.418	2.652	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21	ZINC000594429417	398798512	/nfs/dbraw/zinc/79/85/12/398798512.db2.gz	TXPXALZQQBAKQB-KGLIPLIRSA-N	0	3	321.421	2.890	20	30		DFEDHN
CC(C)Oc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594427187	398798799	/nfs/dbraw/zinc/79/87/99/398798799.db2.gz	GSCHVUVOJSRGFQ-HNNXBMFYSA-N	0	3	303.406	2.501	20	30		DFEDHN
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594429536	398799399	/nfs/dbraw/zinc/79/93/99/398799399.db2.gz	REVKKZSOIYMJGG-IAQYHMDHSA-N	0	3	309.360	2.895	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594431450	398799408	/nfs/dbraw/zinc/79/94/08/398799408.db2.gz	MZPZSXGSLCOTIZ-CVEARBPZSA-N	0	3	317.433	2.598	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1	ZINC000594429717	398799521	/nfs/dbraw/zinc/79/95/21/398799521.db2.gz	VSCFWZNFIYNZDZ-CVEARBPZSA-N	0	3	303.381	2.900	20	30		DFEDHN
CC(C)(CCNC(=O)[C@H](N)CCCCC#N)c1ccccc1	ZINC000594431186	398799782	/nfs/dbraw/zinc/79/97/82/398799782.db2.gz	JJRYTHDCCVNCMN-MRXNPFEDSA-N	0	3	301.434	2.882	20	30		DFEDHN
CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Cl	ZINC000594431014	398799807	/nfs/dbraw/zinc/79/98/07/398799807.db2.gz	FSBRIIOEVJPBER-ZDUSSCGKSA-N	0	3	322.796	2.648	20	30		DFEDHN
Cc1c(CNC(=O)[C@@H](N)CCCCC#N)oc2ccc(F)cc12	ZINC000594432202	398800303	/nfs/dbraw/zinc/80/03/03/398800303.db2.gz	ZPXGEVNIIAUNJN-AWEZNQCLSA-N	0	3	317.364	2.908	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594433301	398800628	/nfs/dbraw/zinc/80/06/28/398800628.db2.gz	NNBSTXRESUCACB-CABCVRRESA-N	0	3	323.824	2.555	20	30		DFEDHN
Cc1cccc2[nH]cc(CCNC(=O)[C@@H](N)CCCCC#N)c21	ZINC000594433129	398800657	/nfs/dbraw/zinc/80/06/57/398800657.db2.gz	CDCGXOVFQPNSQO-HNNXBMFYSA-N	0	3	312.417	2.546	20	30		DFEDHN
COc1ccc([C@H](C)CCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594433647	398800521	/nfs/dbraw/zinc/80/05/21/398800521.db2.gz	QCKLDTUSNKHRRS-RHSMWYFYSA-N	0	3	317.433	2.716	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCc2c(Cl)cccc2C1	ZINC000594434896	398801333	/nfs/dbraw/zinc/80/13/33/398801333.db2.gz	VWOJTDKUJLPMRG-HNNXBMFYSA-N	0	3	305.809	2.636	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCCC#N)C12CCCCC2	ZINC000594433766	398801728	/nfs/dbraw/zinc/80/17/28/398801728.db2.gz	SHQUIYMEDRHWLX-BZUAXINKSA-N	0	3	321.465	2.642	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCCOc2c(F)cccc21	ZINC000594441968	398803391	/nfs/dbraw/zinc/80/33/91/398803391.db2.gz	AIIKDWHXCCGSOI-GJZGRUSLSA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1	ZINC000594443405	398804063	/nfs/dbraw/zinc/80/40/63/398804063.db2.gz	GYHKUPXFCSFWPU-KRWDZBQOSA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccn1	ZINC000594445447	398804716	/nfs/dbraw/zinc/80/47/16/398804716.db2.gz	FRGRWTHLCBVHSD-WMZOPIPTSA-N	0	3	322.412	2.698	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C	ZINC000594445293	398804727	/nfs/dbraw/zinc/80/47/27/398804727.db2.gz	CSBLYUNXSOXCIU-BZUAXINKSA-N	0	3	323.481	2.840	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccccc1OC1CCC1	ZINC000594444101	398803754	/nfs/dbraw/zinc/80/37/54/398803754.db2.gz	KNPZAHYLKSLDAK-INIZCTEOSA-N	0	3	315.417	2.645	20	30		DFEDHN
C[C@]1(CNC(=O)[C@H](N)CCCCC#N)CCCc2ccccc21	ZINC000594444167	398803841	/nfs/dbraw/zinc/80/38/41/398803841.db2.gz	YQGZUCZWERRGNX-IEBWSBKVSA-N	0	3	313.445	2.808	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)CCCCC#N	ZINC000594447015	398804908	/nfs/dbraw/zinc/80/49/08/398804908.db2.gz	RRGKSTUNTAWRHG-UNEWFSDZSA-N	0	3	317.408	2.941	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@]2(C#N)CCNC2)c(F)c1	ZINC000594456632	398806393	/nfs/dbraw/zinc/80/63/93/398806393.db2.gz	MHYKJIMEBTVXRT-KRWDZBQOSA-N	0	3	319.380	2.692	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@@]2(C#N)CCNC2)c(F)c1	ZINC000594456633	398806402	/nfs/dbraw/zinc/80/64/02/398806402.db2.gz	MHYKJIMEBTVXRT-QGZVFWFLSA-N	0	3	319.380	2.692	20	30		DFEDHN
Cc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F)o1	ZINC000594452958	398805963	/nfs/dbraw/zinc/80/59/63/398805963.db2.gz	YHDOXKAJKDWEHB-CMPLNLGQSA-N	0	3	317.311	2.719	20	30		DFEDHN
CCSCc1ccnc(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594469562	398807735	/nfs/dbraw/zinc/80/77/35/398807735.db2.gz	ZCWLPGFTNUNZOB-ZDUSSCGKSA-N	0	3	306.435	2.684	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nnc(-c2ccsc2)s1	ZINC000594468749	398807198	/nfs/dbraw/zinc/80/71/98/398807198.db2.gz	RFYBTFNCGDCITO-SNVBAGLBSA-N	0	3	321.431	2.616	20	30		DFEDHN
CNC(=O)[C@H](CC(C)C)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594505553	398811334	/nfs/dbraw/zinc/81/13/34/398811334.db2.gz	TZZYBEVWBNXWLG-INIZCTEOSA-N	0	3	301.434	2.738	20	30		DFEDHN
C[C@@H](CO[C@H]1CCOC1)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594497102	398810374	/nfs/dbraw/zinc/81/03/74/398810374.db2.gz	BFTLJECEBLNFKY-YOEHRIQHSA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1	ZINC000594500633	398810756	/nfs/dbraw/zinc/81/07/56/398810756.db2.gz	QNFBMALHLJVTRC-INIZCTEOSA-N	0	3	320.458	2.545	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)CC1	ZINC000179344459	199018318	/nfs/dbraw/zinc/01/83/18/199018318.db2.gz	QMTWGBWRMNKYQC-HNNXBMFYSA-N	0	3	316.445	2.640	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(CCCCC#N)n1	ZINC000594536821	398817348	/nfs/dbraw/zinc/81/73/48/398817348.db2.gz	HLZOFSCWKONPPY-UHFFFAOYSA-N	0	3	314.389	2.913	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)c2c(F)cccc2F)CC1	ZINC000179668534	199073211	/nfs/dbraw/zinc/07/32/11/199073211.db2.gz	IISXVBBNMDGZOL-LBPRGKRZSA-N	0	3	308.372	2.835	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N[C@H]1CCCN2CCCC[C@H]12	ZINC000594597967	398827457	/nfs/dbraw/zinc/82/74/57/398827457.db2.gz	FOVYSWUVBOEAJB-DOTOQJQBSA-N	0	3	307.401	2.930	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594596967	398827379	/nfs/dbraw/zinc/82/73/79/398827379.db2.gz	BQCNBGSXZQFYTL-KGLIPLIRSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]2CC(=O)OC)cc(OC)c1O	ZINC000179890403	199091882	/nfs/dbraw/zinc/09/18/82/199091882.db2.gz	DJXZLXYWFVGNIC-HNNXBMFYSA-N	0	3	319.401	2.657	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000179869130	199089854	/nfs/dbraw/zinc/08/98/54/199089854.db2.gz	HJOFJPWGDTVCIK-NSHDSACASA-N	0	3	321.808	2.555	20	30		DFEDHN
CC[C@@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1ccccc1F	ZINC000594611568	398832429	/nfs/dbraw/zinc/83/24/29/398832429.db2.gz	ACLZLFIQQMIWAP-BLLLJJGKSA-N	0	3	313.380	2.676	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1	ZINC000598585466	398836087	/nfs/dbraw/zinc/83/60/87/398836087.db2.gz	DNMSXMAREPQLAK-ROUUACIJSA-N	0	3	316.445	2.968	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N	ZINC000598584899	398836197	/nfs/dbraw/zinc/83/61/97/398836197.db2.gz	GPKYWTUKVINVDA-CQSZACIVSA-N	0	3	310.825	2.951	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCCO[C@@H](c2ccccc2)C1	ZINC000598591243	398836674	/nfs/dbraw/zinc/83/66/74/398836674.db2.gz	XITQTBOIBIYWIQ-DLBZAZTESA-N	0	3	302.418	2.751	20	30		DFEDHN
C=C(C)COc1cc(CNCC(C)(C)C(=O)OC)ccc1OC	ZINC000180037211	199110714	/nfs/dbraw/zinc/11/07/14/199110714.db2.gz	WJZILDIYKAAGPK-UHFFFAOYSA-N	0	3	321.417	2.939	20	30		DFEDHN
CSCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000129544257	398837899	/nfs/dbraw/zinc/83/78/99/398837899.db2.gz	LXBYYMRVVXCOMJ-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
C=CCC[C@H](NCC(=O)Nc1cc(C)nn1C)c1ccccc1	ZINC000180049934	199112203	/nfs/dbraw/zinc/11/22/03/199112203.db2.gz	WJERWEFJAMAKRL-INIZCTEOSA-N	0	3	312.417	2.964	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N	ZINC000598603768	398839647	/nfs/dbraw/zinc/83/96/47/398839647.db2.gz	GKSUGUNXCAZOHN-JSGCOSHPSA-N	0	3	306.454	2.898	20	30		DFEDHN
COc1cc(F)c([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602416	398839956	/nfs/dbraw/zinc/83/99/56/398839956.db2.gz	NRDRAXALEGQYJU-NWDGAFQWSA-N	0	3	324.396	2.794	20	30		DFEDHN
CC[C@@H]1CN(c2ccccc2)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598604354	398839969	/nfs/dbraw/zinc/83/99/69/398839969.db2.gz	LMFQHHLYLZGQKG-SJLPKXTDSA-N	0	3	315.461	2.888	20	30		DFEDHN
COCc1ccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)o1	ZINC000598604680	398840630	/nfs/dbraw/zinc/84/06/30/398840630.db2.gz	PGFPOVGKNCVQLO-UKRRQHHQSA-N	0	3	306.406	2.864	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598622384	398842843	/nfs/dbraw/zinc/84/28/43/398842843.db2.gz	JKMGSAMEULTLNB-GJZGRUSLSA-N	0	3	324.465	2.873	20	30		DFEDHN
Cc1cccnc1OC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598614694	398841384	/nfs/dbraw/zinc/84/13/84/398841384.db2.gz	RNRJTDFUAHTPEL-HNNXBMFYSA-N	0	3	317.433	2.534	20	30		DFEDHN
Cc1cnccc1OC1CCN(C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598614709	398841516	/nfs/dbraw/zinc/84/15/16/398841516.db2.gz	RUYHDXJXUPGXJC-OAHLLOKOSA-N	0	3	317.433	2.534	20	30		DFEDHN
C[C@@H]1CN(c2cccc(F)c2)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598616433	398842069	/nfs/dbraw/zinc/84/20/69/398842069.db2.gz	AORDBFINEHBMNP-PBHICJAKSA-N	0	3	319.424	2.637	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC2(CC1)C(F)(F)C2(F)F	ZINC000598622325	398842548	/nfs/dbraw/zinc/84/25/48/398842548.db2.gz	HVNOKVFINZIMIS-SNVBAGLBSA-N	0	3	308.319	2.654	20	30		DFEDHN
C[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C	ZINC000598626430	398843448	/nfs/dbraw/zinc/84/34/48/398843448.db2.gz	WHGUDSHPAKNXGZ-KFWWJZLASA-N	0	3	324.465	2.587	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C	ZINC000076386763	398853308	/nfs/dbraw/zinc/85/33/08/398853308.db2.gz	NFUJNZOCLANWAR-DLBZAZTESA-N	0	3	313.445	2.935	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1csc(Br)c1	ZINC000598700418	398857509	/nfs/dbraw/zinc/85/75/09/398857509.db2.gz	NIFJFBSWWXAFIX-JTQLQIEISA-N	0	3	317.252	2.901	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cccnc1OC1CCCC1	ZINC000598713789	398859852	/nfs/dbraw/zinc/85/98/52/398859852.db2.gz	DCNUPJXCUKMJFI-OAHLLOKOSA-N	0	3	317.433	2.793	20	30		DFEDHN
CCCC(=O)Nc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1	ZINC000598713375	398860028	/nfs/dbraw/zinc/86/00/28/398860028.db2.gz	BNBYBYZJGGMQHT-MRXNPFEDSA-N	0	3	317.433	2.816	20	30		DFEDHN
Cc1ccc(OC(F)F)c(CNC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598724942	398862421	/nfs/dbraw/zinc/86/24/21/398862421.db2.gz	MQGMOOSXUOEUTM-ZDUSSCGKSA-N	0	3	312.360	2.987	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccc(OC(F)F)c(F)c1	ZINC000598727203	398862617	/nfs/dbraw/zinc/86/26/17/398862617.db2.gz	DRXIJHARCKVJRH-NSHDSACASA-N	0	3	316.323	2.817	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2cc(F)c(F)c(F)c21	ZINC000598726804	398862792	/nfs/dbraw/zinc/86/27/92/398862792.db2.gz	BZYRSLRFSHXOIO-PWSUYJOCSA-N	0	3	312.335	2.982	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccc(Br)cc1	ZINC000598719376	398860966	/nfs/dbraw/zinc/86/09/66/398860966.db2.gz	HBAMBRSZJLVJCR-ZDUSSCGKSA-N	0	3	311.223	2.839	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1sccc1Br	ZINC000598720182	398861185	/nfs/dbraw/zinc/86/11/85/398861185.db2.gz	LKYIOLUYNJJKKU-SECBINFHSA-N	0	3	317.252	2.901	20	30		DFEDHN
CCCCOc1ncccc1CNC[C@H](O)CC(C)(C)C#N	ZINC000598720745	398861684	/nfs/dbraw/zinc/86/16/84/398861684.db2.gz	QKRNGHCCNDZBAW-OAHLLOKOSA-N	0	3	305.422	2.651	20	30		DFEDHN
CC[C@@H](COC)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000594920899	398871809	/nfs/dbraw/zinc/87/18/09/398871809.db2.gz	ITFIKVWWBKLACH-KRWDZBQOSA-N	0	3	312.417	2.978	20	30		DFEDHN
N#CC1(c2ccc(CN[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1	ZINC000594931724	398875282	/nfs/dbraw/zinc/87/52/82/398875282.db2.gz	HGIPUPQEFTXMNP-RTBURBONSA-N	0	3	304.393	2.990	20	30		DFEDHN
CCO[C@H]1COCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000594946596	398878906	/nfs/dbraw/zinc/87/89/06/398878906.db2.gz	QELQLPHRKPCJAZ-SJORKVTESA-N	0	3	300.402	2.525	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)Nc1cccc(C#N)c1	ZINC000053996853	398886749	/nfs/dbraw/zinc/88/67/49/398886749.db2.gz	HAPUFUPMUXQIRZ-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nccn1C	ZINC000595000730	398889435	/nfs/dbraw/zinc/88/94/35/398889435.db2.gz	MPEKKQLKYGPVIJ-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
COC[C@H](CC1CCOCC1)NCc1ccc(C#N)c(F)c1	ZINC000595049730	398897838	/nfs/dbraw/zinc/89/78/38/398897838.db2.gz	DDFZUDVYIFDFKX-INIZCTEOSA-N	0	3	306.381	2.619	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000077322504	398898676	/nfs/dbraw/zinc/89/86/76/398898676.db2.gz	GBCZNEXKUQPRNG-JQHSSLGASA-N	0	3	320.477	2.713	20	30		DFEDHN
C=CCCSCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2	ZINC000595058296	398898908	/nfs/dbraw/zinc/89/89/08/398898908.db2.gz	GSUVMDJAADDWEP-GFCCVEGCSA-N	0	3	306.431	2.977	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000143014008	398901142	/nfs/dbraw/zinc/90/11/42/398901142.db2.gz	CPWOJYUMCKOZFW-SFHVURJKSA-N	0	3	316.445	2.841	20	30		DFEDHN
C[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1F	ZINC000595098676	398904621	/nfs/dbraw/zinc/90/46/21/398904621.db2.gz	DPDIOYPFSTWCMK-TZMCWYRMSA-N	0	3	317.408	2.995	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C	ZINC000054667143	398906225	/nfs/dbraw/zinc/90/62/25/398906225.db2.gz	IBDMWGXBEHOWCR-OAHLLOKOSA-N	0	3	323.824	2.639	20	30		DFEDHN
C[C@@H](NC(=O)c1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000187207531	200076861	/nfs/dbraw/zinc/07/68/61/200076861.db2.gz	VSRKXUQCICLVOM-RDTXWAMCSA-N	0	3	307.397	2.979	20	30		DFEDHN
C[C@H](NC(=O)c1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000187207471	200077100	/nfs/dbraw/zinc/07/71/00/200077100.db2.gz	VSRKXUQCICLVOM-KSSFIOAISA-N	0	3	307.397	2.979	20	30		DFEDHN
CC(C)(NC(=O)C[C@H](N)c1ccccc1)c1cccc(C#N)c1	ZINC000595255975	398913585	/nfs/dbraw/zinc/91/35/85/398913585.db2.gz	KMEIOSWHYZMUCE-KRWDZBQOSA-N	0	3	307.397	3.000	20	30		DFEDHN
COc1cccc(N2CCN(CCc3ccc(C#N)cc3)CC2)c1	ZINC000595288285	398916214	/nfs/dbraw/zinc/91/62/14/398916214.db2.gz	NAHDIYXAXGNAGN-UHFFFAOYSA-N	0	3	321.424	2.932	20	30		DFEDHN
C[C@@]1(C#N)CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1	ZINC000595265103	398914256	/nfs/dbraw/zinc/91/42/56/398914256.db2.gz	JWVLMJIFZSNCFJ-HKUYNNGSSA-N	0	3	322.412	2.785	20	30		DFEDHN
C=C(Cl)CNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000077791264	398925223	/nfs/dbraw/zinc/92/52/23/398925223.db2.gz	KTJFTGJREFQFPZ-UHFFFAOYSA-N	0	3	307.825	2.656	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1	ZINC000599144513	398928134	/nfs/dbraw/zinc/92/81/34/398928134.db2.gz	VYKDKJGZVXVUFT-DOTOQJQBSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-]	ZINC000599163631	398932050	/nfs/dbraw/zinc/93/20/50/398932050.db2.gz	GADTVKFPYMWSGM-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
CC(C)(C)CNC(=O)C(C)(C)NCCc1ccc(C#N)cc1	ZINC000595407423	398933547	/nfs/dbraw/zinc/93/35/47/398933547.db2.gz	NNHHXNDMGBDPHF-UHFFFAOYSA-N	0	3	301.434	2.631	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H](CC#N)C2)c1	ZINC000595446781	398940639	/nfs/dbraw/zinc/94/06/39/398940639.db2.gz	FAIUGJAHLIANCM-HNNXBMFYSA-N	0	3	314.433	2.583	20	30		DFEDHN
CN(C)CC1(NC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1	ZINC000281249104	216183668	/nfs/dbraw/zinc/18/36/68/216183668.db2.gz	DJOZGDFMPOYGDA-UHFFFAOYSA-N	0	3	306.797	2.817	20	30		DFEDHN
CCCCNC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1	ZINC000599250597	398943374	/nfs/dbraw/zinc/94/33/74/398943374.db2.gz	BPFCEHLNUAFELV-UHFFFAOYSA-N	0	3	313.445	2.995	20	30		DFEDHN
COCCN(C[C@@H](O)CC1(C#N)CC1)[C@H](C)c1ccccc1	ZINC000599272307	398945824	/nfs/dbraw/zinc/94/58/24/398945824.db2.gz	RRFKJEVBQDPLKM-WBVHZDCISA-N	0	3	302.418	2.751	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)CC1	ZINC000599270191	398945945	/nfs/dbraw/zinc/94/59/45/398945945.db2.gz	BXYQOMZICPNUHW-ZWKOTPCHSA-N	0	3	314.429	2.722	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCO[C@@H](c3ccccc3)C2)CC1	ZINC000599285752	398948175	/nfs/dbraw/zinc/94/81/75/398948175.db2.gz	YDROPYARHQVRJY-IAGOWNOFSA-N	0	3	300.402	2.505	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCc3sccc3C2)CCOCC1	ZINC000599296419	398950048	/nfs/dbraw/zinc/95/00/48/398950048.db2.gz	RPYBUZSZFUVFPX-OAHLLOKOSA-N	0	3	320.458	2.568	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCS[C@@H](c3ccccc3)C2)CC1	ZINC000599301353	398950958	/nfs/dbraw/zinc/95/09/58/398950958.db2.gz	DCBLTNWELLDMAF-HZPDHXFCSA-N	0	3	302.443	2.831	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC[C@H](C)C1	ZINC000595504942	398952004	/nfs/dbraw/zinc/95/20/04/398952004.db2.gz	KWYKBXIVJFWLPM-HOTGVXAUSA-N	0	3	320.481	2.880	20	30		DFEDHN
N#CC1(C[C@H](O)CN(CCCO)Cc2cccc(Cl)c2)CC1	ZINC000599331006	398955294	/nfs/dbraw/zinc/95/52/94/398955294.db2.gz	FITLPKVRVCFJNS-INIZCTEOSA-N	0	3	322.836	2.579	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F	ZINC000599345085	398957803	/nfs/dbraw/zinc/95/78/03/398957803.db2.gz	LTKFBQUGHCPAJO-JSGCOSHPSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(OC(F)F)c1	ZINC000599351293	398958364	/nfs/dbraw/zinc/95/83/64/398958364.db2.gz	XFZZYNOAPFECJA-YPMHNXCESA-N	0	3	310.344	2.993	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595546621	398964428	/nfs/dbraw/zinc/96/44/28/398964428.db2.gz	PLHHMIWFNSZNGJ-CVEARBPZSA-N	0	3	320.481	2.880	20	30		DFEDHN
COc1cnccc1N1CCN(Cc2ccc(C)c(C#N)c2)CC1	ZINC000599390712	398971465	/nfs/dbraw/zinc/97/14/65/398971465.db2.gz	ORQPBHSGQXTOML-UHFFFAOYSA-N	0	3	322.412	2.593	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Br)cn1	ZINC000599390094	398971537	/nfs/dbraw/zinc/97/15/37/398971537.db2.gz	DTCYEVXVHIHEJG-ZYHUDNBSSA-N	0	3	324.222	2.549	20	30		DFEDHN
C[C@H]1CN(CCNC2(c3ccc(C#N)cc3)CCC2)C[C@H](C)O1	ZINC000595564038	398973105	/nfs/dbraw/zinc/97/31/05/398973105.db2.gz	YCHVCEAOBZXJRE-HOTGVXAUSA-N	0	3	313.445	2.636	20	30		DFEDHN
CC[C@@H](CC#N)NCC1(O)CCC(C(=O)OC(C)(C)C)CC1	ZINC000599437983	398982613	/nfs/dbraw/zinc/98/26/13/398982613.db2.gz	UPCGOCWUBQDRNG-UUCFBXCCSA-N	0	3	310.438	2.531	20	30		DFEDHN
Cc1ccccc1C1(NC[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599455939	398988280	/nfs/dbraw/zinc/98/82/80/398988280.db2.gz	ZKRBNPQRVMLCNJ-INIZCTEOSA-N	0	3	314.429	2.645	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1	ZINC000595591918	398988469	/nfs/dbraw/zinc/98/84/69/398988469.db2.gz	LPSCSUUHMQXHLC-MRXNPFEDSA-N	0	3	318.465	2.777	20	30		DFEDHN
CCC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OCC	ZINC000600174603	398988510	/nfs/dbraw/zinc/98/85/10/398988510.db2.gz	LGNFJPPZSLJQCC-SJORKVTESA-N	0	3	313.401	2.562	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)CC1	ZINC000599480761	398991845	/nfs/dbraw/zinc/99/18/45/398991845.db2.gz	FPIZVEBAADVLSV-KRWDZBQOSA-N	0	3	324.424	2.982	20	30		DFEDHN
N#Cc1c(Br)cccc1N[C@H]1CCN(C2CC2)C1	ZINC000168517434	398996461	/nfs/dbraw/zinc/99/64/61/398996461.db2.gz	QDCVXBDSGRZDQY-JTQLQIEISA-N	0	3	306.207	2.969	20	30		DFEDHN
C=CC[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1	ZINC000599526299	399002339	/nfs/dbraw/zinc/00/23/39/399002339.db2.gz	KCUBHTREVWFLLD-ZDUSSCGKSA-N	0	3	306.362	2.880	20	30		DFEDHN
N#Cc1cnn2cc(CNCC3(C(F)(F)F)CCCC3)cnc12	ZINC000600215062	399009598	/nfs/dbraw/zinc/00/95/98/399009598.db2.gz	LCCWLVUJWKDQRH-UHFFFAOYSA-N	0	3	323.322	2.813	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H](CC)CN2CCCC2)cc1	ZINC000605373362	399014275	/nfs/dbraw/zinc/01/42/75/399014275.db2.gz	RLCSPZFRJYPVEQ-MRXNPFEDSA-N	0	3	302.418	2.856	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCc2ccc(C(C)C)cc2)CC1	ZINC000057127978	399015972	/nfs/dbraw/zinc/01/59/72/399015972.db2.gz	SVCRTCQVRZGAOF-UHFFFAOYSA-N	0	3	312.457	2.814	20	30		DFEDHN
N#Cc1ccnc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1	ZINC000618138368	399017469	/nfs/dbraw/zinc/01/74/69/399017469.db2.gz	WSPUKHNVGUORCJ-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
CS[C@H]1CN(c2ccc(C#N)cc2F)C[C@H]1N1CCCC1	ZINC000275382929	212301568	/nfs/dbraw/zinc/30/15/68/212301568.db2.gz	BQQPWHBRZONBPG-CVEARBPZSA-N	0	3	305.422	2.713	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C	ZINC000599579857	399019516	/nfs/dbraw/zinc/01/95/16/399019516.db2.gz	DHAPKBPXFUBNNO-QLFBSQMISA-N	0	3	324.465	2.587	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(OCCC)c2)CC1	ZINC000057169845	399021549	/nfs/dbraw/zinc/02/15/49/399021549.db2.gz	GCRUYWCKMKURLE-UHFFFAOYSA-N	0	3	300.402	2.759	20	30		DFEDHN
N#Cc1ccc(CCN2CCc3nc(C4CC4)ncc3C2)cc1	ZINC000599620171	399030464	/nfs/dbraw/zinc/03/04/64/399030464.db2.gz	QLLWCHMILSZOOO-UHFFFAOYSA-N	0	3	304.397	2.826	20	30		DFEDHN
CCOCCN(CCOCCC#N)[C@H]1CCc2ccccc21	ZINC000599625084	399033497	/nfs/dbraw/zinc/03/34/97/399033497.db2.gz	FXUJMJIZTPSASX-SFHVURJKSA-N	0	3	302.418	2.943	20	30		DFEDHN
CCCCOCCNC1(c2ccc(C#N)cc2)CCOCC1	ZINC000599631267	399036629	/nfs/dbraw/zinc/03/66/29/399036629.db2.gz	NVLQJUBYLIEIGN-UHFFFAOYSA-N	0	3	302.418	2.970	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000091934983	193129231	/nfs/dbraw/zinc/12/92/31/193129231.db2.gz	CJUDTJBGCBFEMV-UHFFFAOYSA-N	0	3	319.405	2.983	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)C1(C#N)CCCCC1)Cc1ccccc1	ZINC000057419572	399041180	/nfs/dbraw/zinc/04/11/80/399041180.db2.gz	VWWVUIFMPLNBAI-QGZVFWFLSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000600469491	399058311	/nfs/dbraw/zinc/05/83/11/399058311.db2.gz	BNFPYUOEAQPVFE-TVQRCGJNSA-N	0	3	314.216	2.872	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H](O)COc3ccccc3)CC2)c1	ZINC000271783419	209211213	/nfs/dbraw/zinc/21/12/13/209211213.db2.gz	MAWLIFLIUMYADW-KRWDZBQOSA-N	0	3	308.381	2.577	20	30		DFEDHN
CN(CCN(C)C1CC1)c1c(C#N)cnc2c(F)ccc(F)c21	ZINC000613701940	399063633	/nfs/dbraw/zinc/06/36/33/399063633.db2.gz	MUMXNRKUOIGLHP-UHFFFAOYSA-N	0	3	316.355	2.915	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](C)N(CCOc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000599703468	399069965	/nfs/dbraw/zinc/06/99/65/399069965.db2.gz	BIGANERFKXEIGJ-MIFYACCESA-N	0	3	316.401	2.599	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c[nH]c3ccc(F)cc23)CC1	ZINC000172217551	399070420	/nfs/dbraw/zinc/07/04/20/399070420.db2.gz	SWYLTKSTFXSYNG-UHFFFAOYSA-N	0	3	315.392	2.616	20	30		DFEDHN
C#CC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1	ZINC000271761075	209191001	/nfs/dbraw/zinc/19/10/01/209191001.db2.gz	ZNMKPMMVXOEGHC-MJGOQNOKSA-N	0	3	313.372	2.920	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@H]2NCc2cc(C#N)ccc2F)cn1	ZINC000595768024	399077104	/nfs/dbraw/zinc/07/71/04/399077104.db2.gz	FCHTXQZBIIZAES-CRAIPNDOSA-N	0	3	312.392	2.932	20	30		DFEDHN
C[C@H]1CC[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1	ZINC000595770264	399078098	/nfs/dbraw/zinc/07/80/98/399078098.db2.gz	XCZKJGPZDUFZEC-WMLDXEAASA-N	0	3	300.402	2.721	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@H]2NCc2cccc(C#N)c2F)cn1	ZINC000595773973	399079996	/nfs/dbraw/zinc/07/99/96/399079996.db2.gz	YQQORLSKKDMVET-WMLDXEAASA-N	0	3	312.392	2.932	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cccc(C#N)c2F)cn1	ZINC000595773974	399080305	/nfs/dbraw/zinc/08/03/05/399080305.db2.gz	YQQORLSKKDMVET-YOEHRIQHSA-N	0	3	312.392	2.932	20	30		DFEDHN
C=CCC1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000595780668	399082652	/nfs/dbraw/zinc/08/26/52/399082652.db2.gz	ZAXAXZIXTANECA-UHFFFAOYSA-N	0	3	318.442	2.810	20	30		DFEDHN
N#CC1(CCN(CCN2CCOCC2)CC2CC2)CCCCC1	ZINC000595805714	399092667	/nfs/dbraw/zinc/09/26/67/399092667.db2.gz	BHDWENBOUXMSRD-UHFFFAOYSA-N	0	3	319.493	2.895	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)C1	ZINC000595838740	399108325	/nfs/dbraw/zinc/10/83/25/399108325.db2.gz	VIYVNOLMUTYTOC-HFTRVMKXSA-N	0	3	305.466	2.941	20	30		DFEDHN
C[C@@]1(C#N)CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000595844370	399111172	/nfs/dbraw/zinc/11/11/72/399111172.db2.gz	SDJRNNXAVXORAE-OALUTQOASA-N	0	3	313.445	2.513	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC[C@H](O)CC1(C#N)CC1	ZINC000600725166	399124985	/nfs/dbraw/zinc/12/49/85/399124985.db2.gz	XDHQVIYGTSZSAZ-ZBFHGGJFSA-N	0	3	300.402	2.717	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC[C@@H](O)CC1(C#N)CC1	ZINC000600725163	399125297	/nfs/dbraw/zinc/12/52/97/399125297.db2.gz	XDHQVIYGTSZSAZ-GOEBONIOSA-N	0	3	300.402	2.717	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2ccccc2)[C@@H]2CCCO2)CC1	ZINC000600721727	399124127	/nfs/dbraw/zinc/12/41/27/399124127.db2.gz	FLHWDJNEOKJDMG-YESZJQIVSA-N	0	3	300.402	2.551	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@@H]1NC[C@@H](O)COc1ccccc1C#N	ZINC000600725482	399125517	/nfs/dbraw/zinc/12/55/17/399125517.db2.gz	PZJNRDSLQLBMJU-YZGWKJHDSA-N	0	3	322.408	2.618	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@H]1NC[C@H](O)COc1ccccc1C#N	ZINC000600725474	399125554	/nfs/dbraw/zinc/12/55/54/399125554.db2.gz	PZJNRDSLQLBMJU-DFQSSKMNSA-N	0	3	322.408	2.618	20	30		DFEDHN
CO[C@]1(C)C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093871755	193321287	/nfs/dbraw/zinc/32/12/87/193321287.db2.gz	WMJCDJBUOIFWTM-MAUKXSAKSA-N	0	3	312.417	2.841	20	30		DFEDHN
N#Cc1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1	ZINC000274960155	212043621	/nfs/dbraw/zinc/04/36/21/212043621.db2.gz	IUCOHAAQNMDDGX-UHFFFAOYSA-N	0	3	321.428	2.866	20	30		DFEDHN
C=CCC[C@H](N[C@@H](C)C(=O)NC(=O)NCC)c1ccccc1	ZINC000180041533	399131750	/nfs/dbraw/zinc/13/17/50/399131750.db2.gz	RSTBHWOQTAQFRU-ZFWWWQNUSA-N	0	3	303.406	2.518	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC(=O)NCC(C)C)c1ccccc1	ZINC000180043179	399131876	/nfs/dbraw/zinc/13/18/76/399131876.db2.gz	SCLCYOLGKBLBAR-INIZCTEOSA-N	0	3	317.433	2.765	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccnc(O[C@H](C)CC)c2)CC1	ZINC000180286914	399132774	/nfs/dbraw/zinc/13/27/74/399132774.db2.gz	XFAAMTPAHYBWOZ-CQSZACIVSA-N	0	3	317.433	2.639	20	30		DFEDHN
N#CCNC(=O)CN[C@@H](CCc1ccccc1)c1ccccc1	ZINC000180385251	399132976	/nfs/dbraw/zinc/13/29/76/399132976.db2.gz	UNJHMJYYUYOMDC-SFHVURJKSA-N	0	3	307.397	2.590	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)C[C@@H](N)c2ccccc2)C[C@H]1c1ccccc1	ZINC000595975498	399142921	/nfs/dbraw/zinc/14/29/21/399142921.db2.gz	HXUXUSHHTTWEBP-CEXWTWQISA-N	0	3	319.408	2.842	20	30		DFEDHN
C#CCCCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000191876222	335013904	/nfs/dbraw/zinc/01/39/04/335013904.db2.gz	ITVPUNUSNLKWMJ-GOSISDBHSA-N	0	3	314.429	2.752	20	30		DFEDHN
CC1(C)C[C@@]1(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1	ZINC000595987813	399144949	/nfs/dbraw/zinc/14/49/49/399144949.db2.gz	YAUVLKNLNLDZTP-QFBILLFUSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1cccc(Cl)c1	ZINC000182597946	399145666	/nfs/dbraw/zinc/14/56/66/399145666.db2.gz	YBMMACOHPHSZLC-FZMZJTMJSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCN(CCOC)C2)cc1Cl	ZINC000264661089	204061154	/nfs/dbraw/zinc/06/11/54/204061154.db2.gz	YVJLZPSSGGPZPF-OAHLLOKOSA-N	0	3	324.852	2.715	20	30		DFEDHN
Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](F)[C@H](N)C3)c2c1	ZINC000596031718	399152351	/nfs/dbraw/zinc/15/23/51/399152351.db2.gz	DRKMPCLTTYODDD-ZIAGYGMSSA-N	0	3	318.783	2.944	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1	ZINC000264825476	204185125	/nfs/dbraw/zinc/18/51/25/204185125.db2.gz	DEIPQLDOYLUGPH-KRWDZBQOSA-N	0	3	324.428	2.712	20	30		DFEDHN
CN1CCN(Cc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1	ZINC000618572243	399163678	/nfs/dbraw/zinc/16/36/78/399163678.db2.gz	XZOSLYWTFKYUFF-HKUYNNGSSA-N	0	3	312.461	2.928	20	30		DFEDHN
CN(C)C(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614160130	399165536	/nfs/dbraw/zinc/16/55/36/399165536.db2.gz	FBRDWPKEBNCQSC-UHFFFAOYSA-N	0	3	313.445	2.788	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCCC[C@@H]1C	ZINC000061921758	399165994	/nfs/dbraw/zinc/16/59/94/399165994.db2.gz	ANAUYUQIRYKJCO-LSDHHAIUSA-N	0	3	314.433	2.620	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000271719136	209155160	/nfs/dbraw/zinc/15/51/60/209155160.db2.gz	LBSJCZZNRYYXPY-IVMMDQJWSA-N	0	3	318.417	2.774	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2	ZINC000271719137	209154780	/nfs/dbraw/zinc/15/47/80/209154780.db2.gz	LBSJCZZNRYYXPY-NOLJZWGESA-N	0	3	318.417	2.774	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC34CCC4)C2=O)cc1	ZINC000282784412	217248232	/nfs/dbraw/zinc/24/82/32/217248232.db2.gz	PSCCBORJQRIYLD-DLBZAZTESA-N	0	3	309.413	2.976	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccccc1CC#N)Cc1ccccc1	ZINC000600965125	399189285	/nfs/dbraw/zinc/18/92/85/399189285.db2.gz	KLSIUKIQDUALCO-SFHVURJKSA-N	0	3	321.424	2.655	20	30		DFEDHN
CN(C)[C@@H](CNc1c(C#N)cnn1C)c1ccc(Cl)cc1	ZINC000596151347	399192168	/nfs/dbraw/zinc/19/21/68/399192168.db2.gz	HVPJRXZGCLIRLD-AWEZNQCLSA-N	0	3	303.797	2.660	20	30		DFEDHN
COc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1C#N	ZINC000266177243	205160072	/nfs/dbraw/zinc/16/00/72/205160072.db2.gz	FGIGCFFFZHTLOX-UHFFFAOYSA-N	0	3	324.380	2.902	20	30		DFEDHN
COc1ccc(CNC[C@](C)(O)c2cccs2)cc1C#N	ZINC000266185889	205168065	/nfs/dbraw/zinc/16/80/65/205168065.db2.gz	WVGAEZBTQUVIAE-INIZCTEOSA-N	0	3	302.399	2.626	20	30		DFEDHN
N#CC1(C(=O)NCCCN2CCc3ccccc3C2)CC2(CC2)C1	ZINC000600993480	399197818	/nfs/dbraw/zinc/19/78/18/399197818.db2.gz	CPEQZPMWVXTDJH-UHFFFAOYSA-N	0	3	323.440	2.635	20	30		DFEDHN
N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)nc1	ZINC000266252054	205217529	/nfs/dbraw/zinc/21/75/29/205217529.db2.gz	NGPQCFVFJYLWTB-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncccc2-c2nc(C)no2)CC1	ZINC000266344495	205280930	/nfs/dbraw/zinc/28/09/30/205280930.db2.gz	IQXZIQYHIBTRQX-UHFFFAOYSA-N	0	3	313.405	2.892	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000266476614	205373758	/nfs/dbraw/zinc/37/37/58/205373758.db2.gz	OZQJODZQFUWLDS-OAHLLOKOSA-N	0	3	307.397	2.947	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1	ZINC000282951160	217347354	/nfs/dbraw/zinc/34/73/54/217347354.db2.gz	JQMANZZZSPOYDK-GOSISDBHSA-N	0	3	320.396	2.954	20	30		DFEDHN
CN(C)CCN(C)c1c(C#N)cnc2ccc(OC(F)F)cc21	ZINC000266983022	205724176	/nfs/dbraw/zinc/72/41/76/205724176.db2.gz	ABVJEYCWWGXICF-UHFFFAOYSA-N	0	3	320.343	2.706	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)N1CCC(C)CC1	ZINC000285239200	335022311	/nfs/dbraw/zinc/02/23/11/335022311.db2.gz	VZKMVKKOXRRVEB-MJGOQNOKSA-N	0	3	312.457	2.858	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-n2cncn2)cc1	ZINC000618741448	399227053	/nfs/dbraw/zinc/22/70/53/399227053.db2.gz	GJCPWZFDRIYYBL-LJQANCHMSA-N	0	3	315.380	2.916	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000267468441	206090633	/nfs/dbraw/zinc/09/06/33/206090633.db2.gz	XABKTSHCWMZVNO-YSVLISHTSA-N	0	3	315.417	2.536	20	30		DFEDHN
COc1ccccc1C[C@](C)(CO)NCc1ccc(C#N)cc1	ZINC000601152106	399242655	/nfs/dbraw/zinc/24/26/55/399242655.db2.gz	APNAUUOQFNQBHO-LJQANCHMSA-N	0	3	310.397	2.650	20	30		DFEDHN
COc1ccccc1C[C@](C)(CO)NCc1ccc(C#N)c(C)c1	ZINC000601154009	399243424	/nfs/dbraw/zinc/24/34/24/399243424.db2.gz	WMVPEHLPZJLMAD-HXUWFJFHSA-N	0	3	324.424	2.959	20	30		DFEDHN
CCc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000023389679	182359773	/nfs/dbraw/zinc/35/97/73/182359773.db2.gz	PLEZXDRHGJILMW-LJQANCHMSA-N	0	3	324.424	2.992	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2c(F)cccc2SC)CC1	ZINC000285751043	335028430	/nfs/dbraw/zinc/02/84/30/335028430.db2.gz	ARLSPXOWAIEEGV-UHFFFAOYSA-N	0	3	320.433	2.509	20	30		DFEDHN
Cc1nc2c(n1[C@H]1CCN(Cc3ccnc(C#N)c3)C1)CCCC2	ZINC000614742726	399265347	/nfs/dbraw/zinc/26/53/47/399265347.db2.gz	TTWVXFQSRGKHGQ-KRWDZBQOSA-N	0	3	321.428	2.784	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccccc2CC#N)CCN(C2CCC2)C1	ZINC000601594359	399305354	/nfs/dbraw/zinc/30/53/54/399305354.db2.gz	BAQXWVOJWQROND-OAHLLOKOSA-N	0	3	311.429	2.699	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)cs1	ZINC000601619312	399309728	/nfs/dbraw/zinc/30/97/28/399309728.db2.gz	AKCGMFODCWNPQR-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000609343102	399314852	/nfs/dbraw/zinc/31/48/52/399314852.db2.gz	OIRJJOIEMKXQJB-RHSMWYFYSA-N	0	3	320.396	2.519	20	30		DFEDHN
CC[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)N(CC)CC	ZINC000619246937	399319582	/nfs/dbraw/zinc/31/95/82/399319582.db2.gz	YVYXZPHCKRECPD-NUJGCVRESA-N	0	3	321.465	2.561	20	30		DFEDHN
CN(Cc1ccsc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619272944	399324305	/nfs/dbraw/zinc/32/43/05/399324305.db2.gz	CZYJJPVPEJKPSK-INIZCTEOSA-N	0	3	309.394	2.961	20	30		DFEDHN
C=C(C)CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000286835180	335040005	/nfs/dbraw/zinc/04/00/05/335040005.db2.gz	RWORBXFGBQJJTP-OAHLLOKOSA-N	0	3	308.372	2.836	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1	ZINC000287143803	335041040	/nfs/dbraw/zinc/04/10/40/335041040.db2.gz	FYMWXIYNTSCUEP-UHFFFAOYSA-N	0	3	319.390	2.662	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000615438234	399336862	/nfs/dbraw/zinc/33/68/62/399336862.db2.gz	GKYQUQRMVPWAGI-LPHOPBHVSA-N	0	3	313.445	2.806	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](CCO)C(C)C	ZINC000273993681	211250744	/nfs/dbraw/zinc/25/07/44/211250744.db2.gz	KABGXILXXPNUSL-AWEZNQCLSA-N	0	3	322.474	2.900	20	30		DFEDHN
CC(C)[C@@H](CCO)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000273970188	211225587	/nfs/dbraw/zinc/22/55/87/211225587.db2.gz	HLNUCDYWXDOSTI-IAQYHMDHSA-N	0	3	323.824	2.535	20	30		DFEDHN
CC(C)[C@@H](CCO)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000273970190	211224658	/nfs/dbraw/zinc/22/46/58/211224658.db2.gz	HLNUCDYWXDOSTI-XHDPSFHLSA-N	0	3	323.824	2.535	20	30		DFEDHN
CS[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1N1CCCC1	ZINC000273918179	211173883	/nfs/dbraw/zinc/17/38/83/211173883.db2.gz	BDIJUMNAAIHAAW-IRXDYDNUSA-N	0	3	319.449	2.709	20	30		DFEDHN
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CN(C)CCO1	ZINC000619508547	399355067	/nfs/dbraw/zinc/35/50/67/399355067.db2.gz	KPFOKPUHGGHXGT-KYNGSXCRSA-N	0	3	313.445	2.634	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000619578878	399364352	/nfs/dbraw/zinc/36/43/52/399364352.db2.gz	SZDJWAHAHDZHTG-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
Cc1cnn([C@H]2CCCN(CCOc3cccc(C#N)c3)C2)c1	ZINC000105901564	194164922	/nfs/dbraw/zinc/16/49/22/194164922.db2.gz	BIEMRQVGISEBFZ-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610576076	399381921	/nfs/dbraw/zinc/38/19/21/399381921.db2.gz	LDEXHJNGXLKEFO-HUUCEWRRSA-N	0	3	314.389	2.920	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1CCOc1ccccc1C#N	ZINC000610582880	399382230	/nfs/dbraw/zinc/38/22/30/399382230.db2.gz	DTXYMODIAUDPLL-MSOLQXFVSA-N	0	3	313.445	2.886	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C)[C@H](C)C(=O)OCC)cc1OC	ZINC000273760847	211035094	/nfs/dbraw/zinc/03/50/94/211035094.db2.gz	PXWZJTPLIMWZRC-UONOGXRCSA-N	0	3	321.417	2.937	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNCC2(O)CCC2)cc1OC	ZINC000623412727	399383651	/nfs/dbraw/zinc/38/36/51/399383651.db2.gz	YMOTVCBBUFOCOI-UHFFFAOYSA-N	0	3	311.809	2.918	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000602019817	399385864	/nfs/dbraw/zinc/38/58/64/399385864.db2.gz	IYHAWHDOJFCKLF-YJBOKZPZSA-N	0	3	311.429	2.882	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619780609	399390795	/nfs/dbraw/zinc/39/07/95/399390795.db2.gz	YHJAZXAUOLXGAZ-VXGBXAGGSA-N	0	3	305.809	2.701	20	30		DFEDHN
CCN1C[C@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)[C@@H](C)C1	ZINC000610678108	399391802	/nfs/dbraw/zinc/39/18/02/399391802.db2.gz	BZVBHFPPYFKDHK-HZMBPMFUSA-N	0	3	316.355	2.559	20	30		DFEDHN
CCN(CCOc1ccccc1C#N)CCc1nccs1	ZINC000159339094	197345743	/nfs/dbraw/zinc/34/57/43/197345743.db2.gz	IQOFBEDKEJYPQC-UHFFFAOYSA-N	0	3	301.415	2.958	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1OC	ZINC000610717918	399397305	/nfs/dbraw/zinc/39/73/05/399397305.db2.gz	IOYMBZCDUYQVMY-AWEZNQCLSA-N	0	3	316.405	2.563	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000610722209	399398262	/nfs/dbraw/zinc/39/82/62/399398262.db2.gz	JEZQHZGQAHUCPQ-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CCC2	ZINC000610735942	399399686	/nfs/dbraw/zinc/39/96/86/399399686.db2.gz	PDCDACQHTROCGI-QGZVFWFLSA-N	0	3	311.429	2.639	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)[C@@H]1CCN1C1CCCC1)C2	ZINC000602192554	399407488	/nfs/dbraw/zinc/40/74/88/399407488.db2.gz	GRXXCGKUYRGOES-IBGZPJMESA-N	0	3	323.440	2.654	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1ccccc1OC(F)F	ZINC000610813219	399408627	/nfs/dbraw/zinc/40/86/27/399408627.db2.gz	AMOVNJFMAUSJJM-LBPRGKRZSA-N	0	3	309.360	2.927	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1cccc(C#N)c1	ZINC000610829886	399410560	/nfs/dbraw/zinc/41/05/60/399410560.db2.gz	RBYTUSXRWZREOZ-KGLIPLIRSA-N	0	3	318.384	2.946	20	30		DFEDHN
N#CCN1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1	ZINC000610812705	399408681	/nfs/dbraw/zinc/40/86/81/399408681.db2.gz	JWXQZGJEKGJDFA-MRXNPFEDSA-N	0	3	303.381	2.617	20	30		DFEDHN
CNC(=O)COc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000507255236	269696150	/nfs/dbraw/zinc/69/61/50/269696150.db2.gz	ZETLXWQKQOBMIV-AWEZNQCLSA-N	0	3	323.396	2.534	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)CC1	ZINC000623579171	399420919	/nfs/dbraw/zinc/42/09/19/399420919.db2.gz	PVGIDQLNDQOILW-CVEARBPZSA-N	0	3	323.506	2.706	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](CCC)OCC)CC1	ZINC000623579332	399421021	/nfs/dbraw/zinc/42/10/21/399421021.db2.gz	WUGZVRQFWOXSIS-INIZCTEOSA-N	0	3	311.470	2.531	20	30		DFEDHN
CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1C#N	ZINC000611121009	399436273	/nfs/dbraw/zinc/43/62/73/399436273.db2.gz	ZXSBWXAGLUYOHF-KSSFIOAISA-N	0	3	311.429	2.685	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000269043002	207191863	/nfs/dbraw/zinc/19/18/63/207191863.db2.gz	NCVPGRAVCLMCJO-OKILXGFUSA-N	0	3	305.397	2.999	20	30		DFEDHN
CCN(CC[C@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000611170490	399441477	/nfs/dbraw/zinc/44/14/77/399441477.db2.gz	QDJIJQNACABLTP-ZBFHGGJFSA-N	0	3	320.458	2.766	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@](C)(OC)C1CC1	ZINC000602444843	399446173	/nfs/dbraw/zinc/44/61/73/399446173.db2.gz	PERVSEHTPVPKQL-GOSISDBHSA-N	0	3	302.418	2.822	20	30		DFEDHN
C[C@@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000602467664	399452387	/nfs/dbraw/zinc/45/23/87/399452387.db2.gz	HURXWUXHDMSQCI-XJKSGUPXSA-N	0	3	303.381	2.803	20	30		DFEDHN
N#Cc1cccc(CNc2cccc(CN3CCC(O)CC3)c2)n1	ZINC000602487389	399460118	/nfs/dbraw/zinc/46/01/18/399460118.db2.gz	LKRITVHFNFHDMI-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C=CCc1cc(CN[C@H]2CO[C@H](C3CC3)C2)cc(OC)c1O	ZINC000623752630	399458522	/nfs/dbraw/zinc/45/85/22/399458522.db2.gz	IWYCRQPXPURJFG-CVEARBPZSA-N	0	3	303.402	2.786	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2ccc(F)cc2)CCC1	ZINC000611302740	399460831	/nfs/dbraw/zinc/46/08/31/399460831.db2.gz	NUYDDWOUYNIRTK-UHFFFAOYSA-N	0	3	303.381	2.557	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@@H](c1ccco1)N(C)C	ZINC000602499666	399461226	/nfs/dbraw/zinc/46/12/26/399461226.db2.gz	RVWLGZPEQCFJCQ-CABCVRRESA-N	0	3	305.422	2.571	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2C[C@@H](C)N(C)C[C@H]2C)c1C#N	ZINC000611349388	399464762	/nfs/dbraw/zinc/46/47/62/399464762.db2.gz	HGJPXJYYNPIYFI-HUUCEWRRSA-N	0	3	323.444	2.577	20	30		DFEDHN
C=CCCCNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417682801	335045430	/nfs/dbraw/zinc/04/54/30/335045430.db2.gz	LRMRVPODXOJZDB-UHFFFAOYSA-N	0	3	321.421	2.723	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC[C@@H]1CCCO1	ZINC000611392901	399469545	/nfs/dbraw/zinc/46/95/45/399469545.db2.gz	UQUBWGXTAICBNL-WMZOPIPTSA-N	0	3	300.402	2.721	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCNC(=O)c1ccccc1	ZINC000611392189	399469553	/nfs/dbraw/zinc/46/95/53/399469553.db2.gz	JJZKEJYMYUZAOH-IBGZPJMESA-N	0	3	319.408	2.955	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2	ZINC000611394223	399470517	/nfs/dbraw/zinc/47/05/17/399470517.db2.gz	WJSTYELOIOAXTC-DOTOQJQBSA-N	0	3	321.428	2.694	20	30		DFEDHN
Cc1ccc(C#N)nc1NC1CCN(CCOC(C)C)CC1	ZINC000611399651	399470976	/nfs/dbraw/zinc/47/09/76/399470976.db2.gz	YTIIRXYFHGAZNR-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1ncccc1Cl	ZINC000602572212	399479571	/nfs/dbraw/zinc/47/95/71/399479571.db2.gz	ZLBUOZHOSBMFNL-CYBMUJFWSA-N	0	3	323.824	2.802	20	30		DFEDHN
CCc1c(C)nc2ccccc2c1NC1CCN(CC#N)CC1	ZINC000611493262	399481998	/nfs/dbraw/zinc/48/19/98/399481998.db2.gz	WCBXFXIXUDYWAL-UHFFFAOYSA-N	0	3	308.429	2.927	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(NCc2cccc(C#N)n2)CC1	ZINC000602583860	399483268	/nfs/dbraw/zinc/48/32/68/399483268.db2.gz	ZVEQIIWIKHJMTE-UHFFFAOYSA-N	0	3	315.417	2.943	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc([N+](=O)[O-])cc1	ZINC000602586806	399484034	/nfs/dbraw/zinc/48/40/34/399484034.db2.gz	WCZDWGXIHXLIPX-CYBMUJFWSA-N	0	3	303.362	2.783	20	30		DFEDHN
N#CC1CCC(NCc2nnc3ccc(C(F)(F)F)cn32)CC1	ZINC000602594640	399486626	/nfs/dbraw/zinc/48/66/26/399486626.db2.gz	YZJNFFBJMUCQGR-UHFFFAOYSA-N	0	3	323.322	2.920	20	30		DFEDHN
Cc1nc2c(n1[C@H]1CCN(Cc3cccc(C#N)n3)C1)CCCC2	ZINC000602623931	399494411	/nfs/dbraw/zinc/49/44/11/399494411.db2.gz	KSDNIWKJXBLGGN-KRWDZBQOSA-N	0	3	321.428	2.784	20	30		DFEDHN
CCn1ccnc1[C@@H](NC[C@@H](C)CCC#N)C1CCOCC1	ZINC000602652830	399503660	/nfs/dbraw/zinc/50/36/60/399503660.db2.gz	ZLNKFNUUYFYGOB-HOCLYGCPSA-N	0	3	304.438	2.900	20	30		DFEDHN
CC[C@@](C)(CN(CCN(C)C)Cc1ccc(C#N)cc1)OC	ZINC000602659254	399505484	/nfs/dbraw/zinc/50/54/84/399505484.db2.gz	KRGPAJJGSAOYFD-SFHVURJKSA-N	0	3	303.450	2.737	20	30		DFEDHN
CC(C)CO[C@@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000119617377	195003970	/nfs/dbraw/zinc/00/39/70/195003970.db2.gz	SZBBUGLECDSTRR-QGZVFWFLSA-N	0	3	315.417	2.634	20	30		DFEDHN
COc1cccc(C)c1CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000602672590	399514741	/nfs/dbraw/zinc/51/47/41/399514741.db2.gz	QSRNEGCYUQWOBX-INIZCTEOSA-N	0	3	323.396	2.924	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NCc1cccc(CN(C)C)c1)OCC	ZINC000270049515	208103677	/nfs/dbraw/zinc/10/36/77/208103677.db2.gz	QTGZSPJRHNZIBF-KRWDZBQOSA-N	0	3	304.434	2.736	20	30		DFEDHN
CCC[C@@H](CNC1(c2cccc(C#N)c2)CCOCC1)OC	ZINC000602718598	399537438	/nfs/dbraw/zinc/53/74/38/399537438.db2.gz	SKBXXXLQDIBLLS-KRWDZBQOSA-N	0	3	302.418	2.969	20	30		DFEDHN
CCN(C[C@H](O)C[C@@](C)(O)C1CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000602762294	399559566	/nfs/dbraw/zinc/55/95/66/399559566.db2.gz	FMUOEXIZCOLIQN-GDIGMMSISA-N	0	3	316.445	2.853	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)CO1	ZINC000602764123	399560825	/nfs/dbraw/zinc/56/08/25/399560825.db2.gz	CDYPVHAQHXCXBX-KRWDZBQOSA-N	0	3	302.418	2.822	20	30		DFEDHN
Cc1cc(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n[nH]1	ZINC000272890415	210281415	/nfs/dbraw/zinc/28/14/15/210281415.db2.gz	DUVREADWDNSFBX-SFHVURJKSA-N	0	3	310.401	2.503	20	30		DFEDHN
Cc1cc(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)[nH]n1	ZINC000272890415	210281418	/nfs/dbraw/zinc/28/14/18/210281418.db2.gz	DUVREADWDNSFBX-SFHVURJKSA-N	0	3	310.401	2.503	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288006979	335051085	/nfs/dbraw/zinc/05/10/85/335051085.db2.gz	KTTKXNHSHRARKC-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000629322516	399571452	/nfs/dbraw/zinc/57/14/52/399571452.db2.gz	MOGICNQOBJQMNE-LTIDMASMSA-N	0	3	308.466	2.689	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)Nc3ccccc3)CC2)CC1	ZINC000602791237	399575647	/nfs/dbraw/zinc/57/56/47/399575647.db2.gz	OSMOIFANYHTTNO-UHFFFAOYSA-N	0	3	312.417	2.966	20	30		DFEDHN
COc1ccc(C2(NCC3(CC#N)CC3)CCOCC2)cc1	ZINC000602791907	399575915	/nfs/dbraw/zinc/57/59/15/399575915.db2.gz	JPKFCOAUWDTDFZ-UHFFFAOYSA-N	0	3	300.402	2.984	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000617017095	399576177	/nfs/dbraw/zinc/57/61/77/399576177.db2.gz	RPRMBAZAYBLXOL-CQSZACIVSA-N	0	3	302.418	2.854	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN(CC3(CC#N)CC3)C2)nc1	ZINC000602792497	399576233	/nfs/dbraw/zinc/57/62/33/399576233.db2.gz	ADKPROZKTYMJPC-OAHLLOKOSA-N	0	3	312.417	2.734	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(CC#N)cc1)CC2	ZINC000612080119	399574725	/nfs/dbraw/zinc/57/47/25/399574725.db2.gz	VQMWOYYOCYTVHS-QZTJIDSGSA-N	0	3	314.429	2.505	20	30		DFEDHN
CC[C@@H](NCC1(CC#N)CC1)c1ccccc1OCC(=O)NC	ZINC000602801300	399580048	/nfs/dbraw/zinc/58/00/48/399580048.db2.gz	NGYMVWKVPMGTSA-OAHLLOKOSA-N	0	3	315.417	2.546	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612125306	399588259	/nfs/dbraw/zinc/58/82/59/399588259.db2.gz	IGFOJUJGUQPUIV-RDJZCZTQSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN1CC[C@@H](NCC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1	ZINC000602823015	399590916	/nfs/dbraw/zinc/59/09/16/399590916.db2.gz	ISVNXWCBIRZTSV-HZPDHXFCSA-N	0	3	305.372	2.993	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC1(CC#N)CC1	ZINC000602829673	399592846	/nfs/dbraw/zinc/59/28/46/399592846.db2.gz	XDRUIIRCTICZOR-GDBMZVCRSA-N	0	3	300.402	2.690	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000617059932	399593200	/nfs/dbraw/zinc/59/32/00/399593200.db2.gz	GWUIQSCHZYGHBZ-MRXNPFEDSA-N	0	3	322.493	2.916	20	30		DFEDHN
CO[C@]1(C)C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156602965	197126287	/nfs/dbraw/zinc/12/62/87/197126287.db2.gz	GZTVGJXVYZWIQU-XYJFISCASA-N	0	3	302.418	2.727	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629418031	399598026	/nfs/dbraw/zinc/59/80/26/399598026.db2.gz	MDXHDXUDXNPVRK-UHFFFAOYSA-N	0	3	320.477	2.858	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629418863	399598735	/nfs/dbraw/zinc/59/87/35/399598735.db2.gz	UWRKCWPQTDYDPI-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C[C@H](CCN1C[C@@H](C)N(CC#N)[C@@H](C)C1)OCc1ccccc1	ZINC000602853034	399602951	/nfs/dbraw/zinc/60/29/51/399602951.db2.gz	GAVUKDKTXAAWSE-FGTMMUONSA-N	0	3	315.461	2.900	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602881334	399613515	/nfs/dbraw/zinc/61/35/15/399613515.db2.gz	HHKOLZMYDZUKFA-JKSUJKDBSA-N	0	3	324.428	2.720	20	30		DFEDHN
N#CC1(CN2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)CC1	ZINC000602879141	399613648	/nfs/dbraw/zinc/61/36/48/399613648.db2.gz	ZAILFNPOTPKZKD-UHFFFAOYSA-N	0	3	307.401	2.955	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNC3(CO)CC3)c2)c1	ZINC000120392818	195157294	/nfs/dbraw/zinc/15/72/94/195157294.db2.gz	FRXYGVVRNKLVAG-UHFFFAOYSA-N	0	3	308.381	2.752	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1	ZINC000625700356	399615867	/nfs/dbraw/zinc/61/58/67/399615867.db2.gz	BFYZXBHFPVCARQ-CQSZACIVSA-N	0	3	320.458	2.525	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1	ZINC000625702094	399616919	/nfs/dbraw/zinc/61/69/19/399616919.db2.gz	SNKNEEUAXLVALM-GJZGRUSLSA-N	0	3	302.418	2.770	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)C1	ZINC000625702212	399617068	/nfs/dbraw/zinc/61/70/68/399617068.db2.gz	FKBNGXMTRLIDOH-OAHLLOKOSA-N	0	3	302.418	2.552	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1	ZINC000602891168	399617121	/nfs/dbraw/zinc/61/71/21/399617121.db2.gz	LJWYQCQCBGKMBO-ZWKOTPCHSA-N	0	3	314.429	2.667	20	30		DFEDHN
C#C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)(C)C	ZINC000288645002	335054538	/nfs/dbraw/zinc/05/45/38/335054538.db2.gz	QOGKESPNOUZTIN-INIZCTEOSA-N	0	3	301.434	2.595	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1	ZINC000288504547	335055782	/nfs/dbraw/zinc/05/57/82/335055782.db2.gz	IGBWATNUIMVHJO-AZUAARDMSA-N	0	3	323.392	2.673	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000288504554	335055793	/nfs/dbraw/zinc/05/57/93/335055793.db2.gz	IGBWATNUIMVHJO-QUCCMNQESA-N	0	3	323.392	2.673	20	30		DFEDHN
C[C@@H]1[C@H](C)N(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1	ZINC000602905933	399621716	/nfs/dbraw/zinc/62/17/16/399621716.db2.gz	OMDNOBPRVSOZDQ-IYBDPMFKSA-N	0	3	300.450	2.769	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)CCN1C	ZINC000289636415	221119491	/nfs/dbraw/zinc/11/94/91/221119491.db2.gz	FKZWTQUTONIQED-BXUZGUMPSA-N	0	3	304.369	2.644	20	30		DFEDHN
COc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1C#N	ZINC000289807405	221240408	/nfs/dbraw/zinc/24/04/08/221240408.db2.gz	LJZHHAOHLRPYCD-ICSRJNTNSA-N	0	3	322.408	2.823	20	30		DFEDHN
C#Cc1ccc(CN2CCCN(Cc3cnn(CC)c3)CC2)cc1	ZINC000289347579	335058106	/nfs/dbraw/zinc/05/81/06/335058106.db2.gz	MOZXYKPRRCJEEX-UHFFFAOYSA-N	0	3	322.456	2.592	20	30		DFEDHN
COCC(C)(C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000425509216	269724617	/nfs/dbraw/zinc/72/46/17/269724617.db2.gz	SUTRXBOOMXYOPJ-HNNXBMFYSA-N	0	3	301.434	2.662	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](O)[C@H]2CCCC[C@@H]21	ZINC000602997037	399653632	/nfs/dbraw/zinc/65/36/32/399653632.db2.gz	BBYLVXCYZCEIIJ-ULQDDVLXSA-N	0	3	300.402	2.562	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21	ZINC000602997137	399654368	/nfs/dbraw/zinc/65/43/68/399654368.db2.gz	CYTSPQPWMUVPBV-ULQDDVLXSA-N	0	3	300.402	2.692	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1C#N	ZINC000602997194	399654425	/nfs/dbraw/zinc/65/44/25/399654425.db2.gz	FPDNUCKFUGJLCC-IKGGRYGDSA-N	0	3	300.402	2.692	20	30		DFEDHN
CC(C)(C#N)CCCN1CCN(Cc2ccc(O)cc2)CC1	ZINC000603006715	399657166	/nfs/dbraw/zinc/65/71/66/399657166.db2.gz	JVIJWVOVLFFTNB-UHFFFAOYSA-N	0	3	301.434	2.840	20	30		DFEDHN
C[C@]1(C2CCCCC2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000603030953	399661334	/nfs/dbraw/zinc/66/13/34/399661334.db2.gz	YQFKEENCQQMQOS-GOSISDBHSA-N	0	3	316.449	2.687	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3cc(F)cc(C#N)c3)C2)C1	ZINC000603070644	399672404	/nfs/dbraw/zinc/67/24/04/399672404.db2.gz	PQJAHVKFUXTKLU-QGZVFWFLSA-N	0	3	316.380	2.647	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1(C)COC1	ZINC000625790210	399644477	/nfs/dbraw/zinc/64/44/77/399644477.db2.gz	CEMSVKOLUZKQCD-UHFFFAOYSA-N	0	3	313.319	2.905	20	30		DFEDHN
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCC[C@@H]1C#N	ZINC000602981060	399647985	/nfs/dbraw/zinc/64/79/85/399647985.db2.gz	ZDDSPCQTTXFLLQ-CVEARBPZSA-N	0	3	305.466	2.895	20	30		DFEDHN
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCC[C@H]1C#N	ZINC000602981063	399648125	/nfs/dbraw/zinc/64/81/25/399648125.db2.gz	ZDDSPCQTTXFLLQ-JKSUJKDBSA-N	0	3	305.466	2.895	20	30		DFEDHN
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N	ZINC000602982147	399649091	/nfs/dbraw/zinc/64/90/91/399649091.db2.gz	ODUUFZHOFVBTSQ-ARFHVFGLSA-N	0	3	305.466	2.895	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1	ZINC000625801667	399649781	/nfs/dbraw/zinc/64/97/81/399649781.db2.gz	WAOYBKURBGPNIB-KXBFYZLASA-N	0	3	315.413	2.814	20	30		DFEDHN
N#CC(CCN1C[C@@H]2C[C@]2(O)C1)(c1ccccc1)c1ccccc1	ZINC000603092707	399679068	/nfs/dbraw/zinc/67/90/68/399679068.db2.gz	YWUVSZBJBUMIMU-FPOVZHCZSA-N	0	3	318.420	2.953	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000289191971	335060562	/nfs/dbraw/zinc/06/05/62/335060562.db2.gz	LMXWXJGRJZDVIY-FQEVSTJZSA-N	0	3	322.452	2.772	20	30		DFEDHN
COCC#CCN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000625983532	399709046	/nfs/dbraw/zinc/70/90/46/399709046.db2.gz	SNVPCMQVYCDTGS-OAHLLOKOSA-N	0	3	315.244	2.836	20	30		DFEDHN
N#Cc1cc(Cl)ccc1Cn1cc(CNC2CCCC2)nn1	ZINC000603243985	399721386	/nfs/dbraw/zinc/72/13/86/399721386.db2.gz	PXZGHSBVESCALW-UHFFFAOYSA-N	0	3	315.808	2.884	20	30		DFEDHN
C#Cc1ccccc1CC(=O)NCc1ccccc1CN(C)C	ZINC000289290781	335061514	/nfs/dbraw/zinc/06/15/14/335061514.db2.gz	BAOUBWSBCRJWBC-UHFFFAOYSA-N	0	3	306.409	2.588	20	30		DFEDHN
C#C[C@@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)C(C)C	ZINC000289311994	335061434	/nfs/dbraw/zinc/06/14/34/335061434.db2.gz	DTYARHHWDVULMA-UKRRQHHQSA-N	0	3	318.417	2.668	20	30		DFEDHN
C#Cc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1	ZINC000289656781	335062249	/nfs/dbraw/zinc/06/22/49/335062249.db2.gz	LUPOWQACJLRSID-UHFFFAOYSA-N	0	3	320.440	2.975	20	30		DFEDHN
C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc(Br)c1	ZINC000289655423	335062386	/nfs/dbraw/zinc/06/23/86/335062386.db2.gz	YIEDGVFWTOQOHC-MNOVXSKESA-N	0	3	309.207	2.778	20	30		DFEDHN
Cc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)nc1	ZINC000121585150	195310858	/nfs/dbraw/zinc/31/08/58/195310858.db2.gz	YUINRAZKVYTUES-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cc(C#N)c(Br)cn2)CN1C1CC1	ZINC000603308090	399739243	/nfs/dbraw/zinc/73/92/43/399739243.db2.gz	GLUCGJOZBYXBIO-KOLCDFICSA-N	0	3	321.222	2.753	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cc(C#N)c(Br)cn2)CN1C1CC1	ZINC000603308089	399739507	/nfs/dbraw/zinc/73/95/07/399739507.db2.gz	GLUCGJOZBYXBIO-GXSJLCMTSA-N	0	3	321.222	2.753	20	30		DFEDHN
C=CCOc1ccc(CNCC2(OC)CCOCC2)cc1OC	ZINC000123082765	542591890	/nfs/dbraw/zinc/59/18/90/542591890.db2.gz	IZLOGEPRWRBCQG-UHFFFAOYSA-N	0	3	321.417	2.545	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cnn1-c1ccccc1	ZINC000603375058	399757532	/nfs/dbraw/zinc/75/75/32/399757532.db2.gz	IRIJKQWGIWJTCU-MAUKXSAKSA-N	0	3	321.428	2.807	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cnn1-c1ccccc1	ZINC000603375059	399757551	/nfs/dbraw/zinc/75/75/51/399757551.db2.gz	IRIJKQWGIWJTCU-QAPCUYQASA-N	0	3	321.428	2.807	20	30		DFEDHN
Cc1ccc(C#N)c(N(C)CCCN(C)Cc2ccncc2)n1	ZINC000603401433	399766334	/nfs/dbraw/zinc/76/63/34/399766334.db2.gz	OHDLHZCUIZQCDI-UHFFFAOYSA-N	0	3	309.417	2.615	20	30		DFEDHN
CCCN1CC[C@@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603410554	399769471	/nfs/dbraw/zinc/76/94/71/399769471.db2.gz	VBDXYCUZZMKJQM-LLVKDONJSA-N	0	3	309.211	2.612	20	30		DFEDHN
Cc1nc(C#N)n(C[C@H]2CN(Cc3ccccc3)CCCO2)c1C	ZINC000603426426	399774432	/nfs/dbraw/zinc/77/44/32/399774432.db2.gz	NVTOYVFCXXSJJC-GOSISDBHSA-N	0	3	324.428	2.663	20	30		DFEDHN
Cc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)N2CCCC2)o1	ZINC000287811078	131300956	/nfs/dbraw/zinc/30/09/56/131300956.db2.gz	JSHHQSIJLKFUAH-OAHLLOKOSA-N	0	3	311.389	2.807	20	30		DFEDHN
C#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)cc1	ZINC000289806739	335065816	/nfs/dbraw/zinc/06/58/16/335065816.db2.gz	SOPFOZXJTBBTRU-AZUAARDMSA-N	0	3	307.393	2.984	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(C)(F)F	ZINC000603690547	399798438	/nfs/dbraw/zinc/79/84/38/399798438.db2.gz	SKMCCPSKLMWWPH-UHFFFAOYSA-N	0	3	323.387	2.884	20	30		DFEDHN
C=C[C@@H](CO)NCc1cc(C)c(OCc2ccccn2)c(C)c1	ZINC000289717596	335066084	/nfs/dbraw/zinc/06/60/84/335066084.db2.gz	FLSUEQIZBDXYTN-KRWDZBQOSA-N	0	3	312.413	2.914	20	30		DFEDHN
Cc1cccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000603842856	399807774	/nfs/dbraw/zinc/80/77/74/399807774.db2.gz	RIOVGMMUACFLIR-LJQANCHMSA-N	0	3	324.424	2.933	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C3CC3)ccn2)CC1	ZINC000290032448	335067898	/nfs/dbraw/zinc/06/78/98/335067898.db2.gz	GDFUOTTXBXRBOJ-UHFFFAOYSA-N	0	3	300.406	2.731	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CC)[C@@H]2CCN(CC)C2)cc1	ZINC000617931364	399839735	/nfs/dbraw/zinc/83/97/35/399839735.db2.gz	VYQOYQNRRXCJML-MRXNPFEDSA-N	0	3	302.418	2.808	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)o1	ZINC000329268570	543101996	/nfs/dbraw/zinc/10/19/96/543101996.db2.gz	GPOVHJYLSRTEHN-AWEZNQCLSA-N	0	3	320.437	2.908	20	30		DFEDHN
Cc1nc([C@H](C)NC(=O)N[C@@H](C)C2=CCN(C)CC2)cs1	ZINC000329326237	543103109	/nfs/dbraw/zinc/10/31/09/543103109.db2.gz	WOBKCOLKMJCNJO-QWRGUYRKSA-N	0	3	308.451	2.667	20	30		DFEDHN
Cc1cccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000390851693	543307561	/nfs/dbraw/zinc/30/75/61/543307561.db2.gz	DSSPQHNFOJTQFF-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
Cc1cccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000390851684	543307767	/nfs/dbraw/zinc/30/77/67/543307767.db2.gz	DSSPQHNFOJTQFF-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccsc2COC)CC1	ZINC000630942288	399951075	/nfs/dbraw/zinc/95/10/75/399951075.db2.gz	IIFBBXSPZLDBLA-UHFFFAOYSA-N	0	3	308.447	2.665	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1OC	ZINC000628461389	400033679	/nfs/dbraw/zinc/03/36/79/400033679.db2.gz	XOIHQRQYXPIHCI-QFBILLFUSA-N	0	3	317.429	2.854	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC2([C@H](C)O)CC2)cc1OC	ZINC000628351654	400025083	/nfs/dbraw/zinc/02/50/83/400025083.db2.gz	LLHVCFGXLKGEMD-NSHDSACASA-N	0	3	311.809	2.916	20	30		DFEDHN
N#Cc1ccnc(NCCCNCc2cccnc2)c1Cl	ZINC000236056881	146020608	/nfs/dbraw/zinc/02/06/08/146020608.db2.gz	QVHFHHMPFVNVDE-UHFFFAOYSA-N	0	3	301.781	2.593	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCC[C@H]1CN1CCOCC1	ZINC000248931249	146178227	/nfs/dbraw/zinc/17/82/27/146178227.db2.gz	MLBFHFUFWVRNLB-APWZRJJASA-N	0	3	313.445	2.806	20	30		DFEDHN
N#Cc1ccc(N2CCCN3CCC[C@H]3C2)c(Br)c1	ZINC000250894039	146212295	/nfs/dbraw/zinc/21/22/95/146212295.db2.gz	OENOOJJWPWCLCN-ZDUSSCGKSA-N	0	3	320.234	2.995	20	30		DFEDHN
CCc1nnc(NCc2ccc3c(c2)CNC3)c(C#N)c1CC	ZINC000261941422	146307873	/nfs/dbraw/zinc/30/78/73/146307873.db2.gz	UTUKJROUFXBZTH-UHFFFAOYSA-N	0	3	307.401	2.688	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)[nH]1)N(C)C	ZINC000357869728	148156533	/nfs/dbraw/zinc/15/65/33/148156533.db2.gz	MRNIMRVNDSLNPD-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C#N)cc1	ZINC000357996155	148203842	/nfs/dbraw/zinc/20/38/42/148203842.db2.gz	QDMGQJRWKSUWCT-KGLIPLIRSA-N	0	3	318.384	2.946	20	30		DFEDHN
Cc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc(C#N)n1	ZINC000361007396	149006059	/nfs/dbraw/zinc/00/60/59/149006059.db2.gz	PZNGEPWSYVGBSZ-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
C[C@@](CO)(CNCc1ccc(C#N)s1)Cc1ccccc1	ZINC000361734393	149204656	/nfs/dbraw/zinc/20/46/56/149204656.db2.gz	PJTVPPGJXBSMTJ-KRWDZBQOSA-N	0	3	300.427	2.951	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cnccc1C#N	ZINC000362716604	149348642	/nfs/dbraw/zinc/34/86/42/149348642.db2.gz	NMWIOVIWFIGKDM-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)n1	ZINC000371311712	150020108	/nfs/dbraw/zinc/02/01/08/150020108.db2.gz	YUDKCWCQPIWFEI-XOKHGSTOSA-N	0	3	314.433	2.563	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)CC12CCC2	ZINC000371430866	150045552	/nfs/dbraw/zinc/04/55/52/150045552.db2.gz	DGRMZNHPKDNDCE-OAHLLOKOSA-N	0	3	311.429	2.687	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC2(CCOCC2)[C@H]1C	ZINC000371834891	150102661	/nfs/dbraw/zinc/10/26/61/150102661.db2.gz	OBYIOKMTXWGAJL-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
C[C@H]([C@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000372174794	150145914	/nfs/dbraw/zinc/14/59/14/150145914.db2.gz	BGAANCHKLMKSRN-LXGCGDOSSA-N	0	3	322.408	2.916	20	30		DFEDHN
C[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)s1	ZINC000372515308	150177652	/nfs/dbraw/zinc/17/76/52/150177652.db2.gz	VANIKPBGGZVMNS-BFHYXJOUSA-N	0	3	305.447	2.524	20	30		DFEDHN
Cn1cc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1C#N	ZINC000373819477	150262858	/nfs/dbraw/zinc/26/28/58/150262858.db2.gz	ZDZBHNJBRGLFDD-OALUTQOASA-N	0	3	309.413	2.985	20	30		DFEDHN
C[C@H]1[C@H](NCc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1	ZINC000374265686	150332551	/nfs/dbraw/zinc/33/25/51/150332551.db2.gz	OOEUEUQKEUFBFZ-HNAYVOBHSA-N	0	3	319.408	2.837	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1	ZINC000185488243	158061205	/nfs/dbraw/zinc/06/12/05/158061205.db2.gz	CFNZUTBGFBSESW-UHFFFAOYSA-N	0	3	322.408	2.921	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(C#N)c1	ZINC000247990207	158155103	/nfs/dbraw/zinc/15/51/03/158155103.db2.gz	LHMNSTVYZIRXTL-UHFFFAOYSA-N	0	3	307.397	2.762	20	30		DFEDHN
C[C@@H](NCCCN1CCCCC1=O)c1ccc(C#N)cc1F	ZINC000358555479	158389174	/nfs/dbraw/zinc/38/91/74/158389174.db2.gz	AITHNKOBLNDIAC-CYBMUJFWSA-N	0	3	303.381	2.751	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000358581510	158391521	/nfs/dbraw/zinc/39/15/21/158391521.db2.gz	YMVWSGLRVFJIOO-QEJZJMRPSA-N	0	3	317.408	2.995	20	30		DFEDHN
C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1C#N	ZINC000132680016	196275835	/nfs/dbraw/zinc/27/58/35/196275835.db2.gz	GNSWCLORJULLMI-WFASDCNBSA-N	0	3	315.417	2.821	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NCc3cncs3)C2)c(F)c1	ZINC000136098973	196520216	/nfs/dbraw/zinc/52/02/16/196520216.db2.gz	BPQMDWSKFGIFLP-ZDUSSCGKSA-N	0	3	316.405	2.912	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(CCCC)nc2C)CC1	ZINC000184430235	335072032	/nfs/dbraw/zinc/07/20/32/335072032.db2.gz	OQCYEHVNMUDLQK-UHFFFAOYSA-N	0	3	318.465	2.762	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)cc1	ZINC000290360805	335072727	/nfs/dbraw/zinc/07/27/27/335072727.db2.gz	QSBBVPVBSQLHEZ-BOUXLOLZSA-N	0	3	323.392	2.844	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccn(CC)n1)C(C)C	ZINC000667693085	543660911	/nfs/dbraw/zinc/66/09/11/543660911.db2.gz	ZYBZJUCZTAPXLL-HNNXBMFYSA-N	0	3	319.453	2.723	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCCc2cccnc2)CC1	ZINC000668370213	543798586	/nfs/dbraw/zinc/79/85/86/543798586.db2.gz	QJGSJPVUGYWHTA-UHFFFAOYSA-N	0	3	301.434	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3c2cccc3F)CC1	ZINC000184499970	335075493	/nfs/dbraw/zinc/07/54/93/335075493.db2.gz	IJJKGNZGYBEXQL-UHFFFAOYSA-N	0	3	303.381	2.548	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000291201073	222218489	/nfs/dbraw/zinc/21/84/89/222218489.db2.gz	JUFOVOJBZCUCRK-HXUWFJFHSA-N	0	3	322.408	2.573	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)N2CCc3ccc(C#N)cc32)C1	ZINC000291264113	222269680	/nfs/dbraw/zinc/26/96/80/222269680.db2.gz	LBCZJXYCSYAYJG-SFHVURJKSA-N	0	3	315.392	2.660	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(O)c(CC)c2)CC1	ZINC000291493911	335082596	/nfs/dbraw/zinc/08/25/96/335082596.db2.gz	LVQMHTJWRAUZNZ-UHFFFAOYSA-N	0	3	302.418	2.725	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1CC)OCC	ZINC000677314054	544469769	/nfs/dbraw/zinc/46/97/69/544469769.db2.gz	ZUIHKMHEYSNQCC-ULQDDVLXSA-N	0	3	308.466	2.833	20	30		DFEDHN
C=CCN(CCc1ccccc1)CC[C@H]1CCS(=O)(=O)C1	ZINC000677679370	544520206	/nfs/dbraw/zinc/52/02/06/544520206.db2.gz	UPXUMKFJQBKVGZ-KRWDZBQOSA-N	0	3	307.459	2.542	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nnc1C)C(C)C	ZINC000678082951	544596920	/nfs/dbraw/zinc/59/69/20/544596920.db2.gz	XAVSEKDLILXLNF-QGZVFWFLSA-N	0	3	316.449	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccnc(SC)c2)CC1	ZINC000678105156	544601969	/nfs/dbraw/zinc/60/19/69/544601969.db2.gz	HYKVMIAHIHMQQW-UHFFFAOYSA-N	0	3	306.435	2.575	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(Nc2cc(OC)cc(OC)c2)CC1	ZINC000678220484	544622829	/nfs/dbraw/zinc/62/28/29/544622829.db2.gz	VUEHINQEFKZRBI-GOSISDBHSA-N	0	3	320.433	2.517	20	30		DFEDHN
CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000678741327	544714434	/nfs/dbraw/zinc/71/44/34/544714434.db2.gz	BJFNEDRXIRVNNX-CABCVRRESA-N	0	3	314.429	2.797	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000302007644	230030247	/nfs/dbraw/zinc/03/02/47/230030247.db2.gz	UVWYASHJCLAWFW-YJBOKZPZSA-N	0	3	321.428	2.838	20	30		DFEDHN
CN(C)[C@H](CNc1nc2ccccn2c1C#N)c1ccccc1	ZINC000302114431	230099827	/nfs/dbraw/zinc/09/98/27/230099827.db2.gz	VQPIHLCHBZSECH-MRXNPFEDSA-N	0	3	305.385	2.921	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCCCC1	ZINC000056308606	425895526	/nfs/dbraw/zinc/89/55/26/425895526.db2.gz	CISSJSHALYDXJE-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc(F)c1C#N	ZINC000427000761	269852848	/nfs/dbraw/zinc/85/28/48/269852848.db2.gz	FMOKTNQYGPDZIY-CHWSQXEVSA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(O[C@H]2CCOC2)CC1	ZINC000442687548	269887042	/nfs/dbraw/zinc/88/70/42/269887042.db2.gz	YLOJEBIAIIPWRV-KDOFPFPSSA-N	0	3	300.402	2.889	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN(CC3(F)CC3)CC2)c1	ZINC000527220010	269972421	/nfs/dbraw/zinc/97/24/21/269972421.db2.gz	HNTUTUJVFSLMBF-UHFFFAOYSA-N	0	3	301.365	2.711	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NC[C@@H]2NCCc3ccccc32)c1	ZINC000415808568	270000377	/nfs/dbraw/zinc/00/03/77/270000377.db2.gz	RTPIQEFEDNGKNO-SFHVURJKSA-N	0	3	320.396	2.875	20	30		DFEDHN
CC[C@H](C)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000450852887	270001495	/nfs/dbraw/zinc/00/14/95/270001495.db2.gz	ABOSCVPTUZRDTO-LBPRGKRZSA-N	0	3	317.824	2.780	20	30		DFEDHN
Clc1cccc(C#CCN2CCC(c3nc[nH]n3)CC2)c1	ZINC000156709484	425935840	/nfs/dbraw/zinc/93/58/40/425935840.db2.gz	QIXHCUBEOGWHAF-UHFFFAOYSA-N	0	3	300.793	2.689	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)cn1C	ZINC000342611963	266046614	/nfs/dbraw/zinc/04/66/14/266046614.db2.gz	VXSMWVPQXTVMBQ-UHFFFAOYSA-N	0	3	316.449	2.625	20	30		DFEDHN
CCCNC(=O)CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352834440	266058038	/nfs/dbraw/zinc/05/80/38/266058038.db2.gz	MFNAGTJHYWVEEC-UHFFFAOYSA-N	0	3	313.323	2.583	20	30		DFEDHN
CCC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000295370226	266080004	/nfs/dbraw/zinc/08/00/04/266080004.db2.gz	SGNDQSLEFKRJAS-AWEZNQCLSA-N	0	3	306.381	2.702	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000352268993	266145099	/nfs/dbraw/zinc/14/50/99/266145099.db2.gz	FXHVJYLLHVHQPF-INIZCTEOSA-N	0	3	317.408	2.575	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000344967764	266334736	/nfs/dbraw/zinc/33/47/36/266334736.db2.gz	CXONWRIUGHTPRK-OCCSQVGLSA-N	0	3	316.405	2.561	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000344716453	266585728	/nfs/dbraw/zinc/58/57/28/266585728.db2.gz	MVVYXUQEBARBJX-CQSZACIVSA-N	0	3	321.371	2.687	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(C#N)c1	ZINC000331297250	266586314	/nfs/dbraw/zinc/58/63/14/266586314.db2.gz	APLZSFACVAFJFK-MRXNPFEDSA-N	0	3	314.433	2.682	20	30		DFEDHN
COC(C)(C)CCN1CCN(c2cccc(F)c2C#N)CC1	ZINC000345743965	266674256	/nfs/dbraw/zinc/67/42/56/266674256.db2.gz	ZLPASBBLWLXLPH-UHFFFAOYSA-N	0	3	305.397	2.634	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1c(F)cccc1C#N	ZINC000352251603	267017971	/nfs/dbraw/zinc/01/79/71/267017971.db2.gz	SKRMCWASRIDLEU-OKILXGFUSA-N	0	3	317.408	2.619	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416343206	267018952	/nfs/dbraw/zinc/01/89/52/267018952.db2.gz	REDRETSTFNCZIL-ROUUACIJSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C#N)cc1Br	ZINC000351105915	267044781	/nfs/dbraw/zinc/04/47/81/267044781.db2.gz	WFBNSMSMEJUGGO-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCOC(=O)CC1(NCc2ccc(C#N)c(OC)c2)CCCC1	ZINC000443059447	267114982	/nfs/dbraw/zinc/11/49/82/267114982.db2.gz	BYFBDBHHLIHMDQ-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
C[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCCC[C@@H]1C	ZINC000349871231	267159695	/nfs/dbraw/zinc/15/96/95/267159695.db2.gz	DRFJDQZATVRXDO-UONOGXRCSA-N	0	3	317.408	2.619	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCCC[C@H]1C	ZINC000337211655	267159707	/nfs/dbraw/zinc/15/97/07/267159707.db2.gz	ANAUYUQIRYKJCO-HUUCEWRRSA-N	0	3	314.433	2.620	20	30		DFEDHN
C[C@H](NC[C@@H]1CNC(=O)O1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363721876	267182711	/nfs/dbraw/zinc/18/27/11/267182711.db2.gz	WIXFOVNESCOAJD-SCLBCKFNSA-N	0	3	321.380	2.984	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC1(C)C	ZINC000419322537	267193819	/nfs/dbraw/zinc/19/38/19/267193819.db2.gz	SJKOBJVNOXSVLA-HZPDHXFCSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1	ZINC000517554034	267196624	/nfs/dbraw/zinc/19/66/24/267196624.db2.gz	ASUIKCMEPOTILQ-KURKYZTESA-N	0	3	310.401	2.863	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccco1	ZINC000451678866	267204600	/nfs/dbraw/zinc/20/46/00/267204600.db2.gz	XMMSXOQOYPGXQZ-NHYWBVRUSA-N	0	3	314.389	2.647	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000349909612	267213554	/nfs/dbraw/zinc/21/35/54/267213554.db2.gz	DRNQXQNHZFLWOY-LBPRGKRZSA-N	0	3	305.809	2.673	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC1(C)C	ZINC000419313662	267221815	/nfs/dbraw/zinc/22/18/15/267221815.db2.gz	GJUYUWJOFDUCOW-CVEARBPZSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2ccncc2C#N)C1	ZINC000399459935	267234842	/nfs/dbraw/zinc/23/48/42/267234842.db2.gz	QZPZIFSHSKFTSD-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000361403894	267235469	/nfs/dbraw/zinc/23/54/69/267235469.db2.gz	KBBKINTYHOXXRO-YOEHRIQHSA-N	0	3	322.412	2.527	20	30		DFEDHN
CCn1cc([C@H](C)NCCC(=O)Nc2sccc2C#N)cn1	ZINC000451900949	267253582	/nfs/dbraw/zinc/25/35/82/267253582.db2.gz	ATPIQEZTRZTNQR-NSHDSACASA-N	0	3	317.418	2.516	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1sccc1C#N)c1ccc(F)cc1	ZINC000488916052	267282496	/nfs/dbraw/zinc/28/24/96/267282496.db2.gz	TYWFMDJIFZPMHP-AWEZNQCLSA-N	0	3	317.389	2.792	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000517079062	267282601	/nfs/dbraw/zinc/28/26/01/267282601.db2.gz	CULCWHNQDVROHY-HNNXBMFYSA-N	0	3	317.458	2.593	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)/C=C\c1cccc(C#N)c1)c1ccccc1	ZINC000491094773	267285474	/nfs/dbraw/zinc/28/54/74/267285474.db2.gz	YMJSNUNLKQWPKS-JZHDPFOFSA-N	0	3	319.408	2.991	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCc1ccc(C#N)s1)c1ccccc1	ZINC000421909133	267285791	/nfs/dbraw/zinc/28/57/91/267285791.db2.gz	DZNBYRZWKFXXEH-INIZCTEOSA-N	0	3	313.426	2.929	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000531146904	267286636	/nfs/dbraw/zinc/28/66/36/267286636.db2.gz	CZOXXBKHRHIGJE-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
CN(C)[C@@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455365707	267288198	/nfs/dbraw/zinc/28/81/98/267288198.db2.gz	KYRVOFKTKMVSHC-QGZVFWFLSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN1CC[C@@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)C[C@@H]21	ZINC000450778988	267339439	/nfs/dbraw/zinc/33/94/39/267339439.db2.gz	MNBVPONBSZKMBM-ZBFHGGJFSA-N	0	3	310.445	2.707	20	30		DFEDHN
COC(=O)C[C@H](NCc1ccc(C#N)cn1)C1CCCCC1	ZINC000516487886	267369290	/nfs/dbraw/zinc/36/92/90/267369290.db2.gz	CBFXIGGDQZCXDM-INIZCTEOSA-N	0	3	301.390	2.555	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H]1C(C)C	ZINC000429364147	267383996	/nfs/dbraw/zinc/38/39/96/267383996.db2.gz	FPLLCQRXHLSGSX-HOCLYGCPSA-N	0	3	304.365	2.717	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000449752682	267389780	/nfs/dbraw/zinc/38/97/80/267389780.db2.gz	GDCNZMLYVYDJAL-MOPGFXCFSA-N	0	3	320.392	2.947	20	30		DFEDHN
COC(=O)[C@](C)(CNCc1ccc(C#N)o1)c1ccc(F)cc1	ZINC000447092877	267393237	/nfs/dbraw/zinc/39/32/37/267393237.db2.gz	DVHILMOZGFVKCQ-QGZVFWFLSA-N	0	3	316.332	2.511	20	30		DFEDHN
COC1([C@H](C)NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCC1	ZINC000412029167	267433199	/nfs/dbraw/zinc/43/31/99/267433199.db2.gz	XUPXHKGOSHGNEB-NSHDSACASA-N	0	3	321.808	2.697	20	30		DFEDHN
CO[C@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C	ZINC000451485370	267548428	/nfs/dbraw/zinc/54/84/28/267548428.db2.gz	CQLQLOPISREAGF-KGLIPLIRSA-N	0	3	321.808	2.553	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003903220	425617193	/nfs/dbraw/zinc/61/71/93/425617193.db2.gz	SCFIBXYDOUNGHB-ZDUSSCGKSA-N	0	3	320.308	2.972	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000045794585	425862805	/nfs/dbraw/zinc/86/28/05/425862805.db2.gz	OJLKBORIDIHIMY-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(C#N)c1	ZINC000046054185	425863928	/nfs/dbraw/zinc/86/39/28/425863928.db2.gz	KJTBTDZLVQNJJJ-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000046440556	425864891	/nfs/dbraw/zinc/86/48/91/425864891.db2.gz	UFVGBQRZJHXDJQ-GFCCVEGCSA-N	0	3	306.281	2.961	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COCc1ccccc1)c1ccc(C#N)cc1	ZINC000030532609	425831572	/nfs/dbraw/zinc/83/15/72/425831572.db2.gz	DVBQWVHCSQQACT-DNVCBOLYSA-N	0	3	310.397	2.787	20	30		DFEDHN
C[C@H](NC[C@@H](O)COCc1ccccc1)c1ccc(C#N)cc1	ZINC000030532611	425831844	/nfs/dbraw/zinc/83/18/44/425831844.db2.gz	DVBQWVHCSQQACT-HNAYVOBHSA-N	0	3	310.397	2.787	20	30		DFEDHN
N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1ccccn1	ZINC000041492951	425852172	/nfs/dbraw/zinc/85/21/72/425852172.db2.gz	XCKTYFZDEMBFNJ-INIZCTEOSA-N	0	3	302.337	2.816	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)nc(C)n1	ZINC000041573828	425852532	/nfs/dbraw/zinc/85/25/32/425852532.db2.gz	CYPCIKSUFPXZAB-AWEZNQCLSA-N	0	3	323.352	2.745	20	30		DFEDHN
Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(C)n1	ZINC000421575280	267994388	/nfs/dbraw/zinc/99/43/88/267994388.db2.gz	JORJXNHBDPEMLI-GOSISDBHSA-N	0	3	318.380	2.569	20	30		DFEDHN
Cc1cc(NC(=O)COc2ccccc2C#N)ccc1CN(C)C	ZINC000458325828	268006754	/nfs/dbraw/zinc/00/67/54/268006754.db2.gz	TUQKOWWLRUKWJW-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
C[C@H](NCCSCc1ccccc1C#N)c1ccnn1C	ZINC000192749085	268047168	/nfs/dbraw/zinc/04/71/68/268047168.db2.gz	NMUJFYXLGVGJNZ-ZDUSSCGKSA-N	0	3	300.431	2.876	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCC[C@@H](C)C1	ZINC000047146949	425868128	/nfs/dbraw/zinc/86/81/28/425868128.db2.gz	DPSIZEUHKADBET-OAHLLOKOSA-N	0	3	302.418	2.713	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)o1	ZINC000189619016	268074463	/nfs/dbraw/zinc/07/44/63/268074463.db2.gz	YMIFZLNDIGSMJI-GXFFZTMASA-N	0	3	302.296	2.724	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2CCC(C#N)CC2)cc1	ZINC000282651336	268084949	/nfs/dbraw/zinc/08/49/49/268084949.db2.gz	JCLFFBPXQXKMDS-ABHNRTSZSA-N	0	3	320.396	2.687	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2CCC(F)(F)CC2)cc1	ZINC000348427485	268089934	/nfs/dbraw/zinc/08/99/34/268089934.db2.gz	ZDGSQQBFAOBVKF-CQSZACIVSA-N	0	3	317.339	2.935	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)cn2)cc1	ZINC000348394474	268091059	/nfs/dbraw/zinc/09/10/59/268091059.db2.gz	FBBIXXSJURBMLG-CQSZACIVSA-N	0	3	324.771	2.605	20	30		DFEDHN
Cn1cc(CNCC2(CO)CC(c3ccccc3)C2)cc1C#N	ZINC000433198755	268128825	/nfs/dbraw/zinc/12/88/25/268128825.db2.gz	HSVOOUBJDWCOLI-UHFFFAOYSA-N	0	3	309.413	2.543	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)ccc1F	ZINC000529716308	268178166	/nfs/dbraw/zinc/17/81/66/268178166.db2.gz	ALGIRQREPNSMLV-MRXNPFEDSA-N	0	3	315.392	2.834	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000267422518	268181156	/nfs/dbraw/zinc/18/11/56/268181156.db2.gz	LBJNVICOPGVJKG-QRTARXTBSA-N	0	3	315.417	2.536	20	30		DFEDHN
N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cc1	ZINC000426932042	268213205	/nfs/dbraw/zinc/21/32/05/268213205.db2.gz	LOLDOWKOHXPRIZ-LJQANCHMSA-N	0	3	321.424	2.801	20	30		DFEDHN
N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(Cl)c1	ZINC000439449465	268216759	/nfs/dbraw/zinc/21/67/59/268216759.db2.gz	IGFJMLZUPNAPBY-GOEBONIOSA-N	0	3	317.820	2.702	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1	ZINC000521632468	268219474	/nfs/dbraw/zinc/21/94/74/268219474.db2.gz	SJGWZPYNOXLQIF-HOCLYGCPSA-N	0	3	315.373	2.715	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)o1	ZINC000428536018	268233180	/nfs/dbraw/zinc/23/31/80/268233180.db2.gz	LVLWCWWQYVNIGG-SJORKVTESA-N	0	3	300.333	2.546	20	30		DFEDHN
N#Cc1cccc(CCN[C@H](c2cccs2)c2nnc[nH]2)c1	ZINC000340381434	268244511	/nfs/dbraw/zinc/24/45/11/268244511.db2.gz	YKHVIVHQUZFIBZ-OAHLLOKOSA-N	0	3	309.398	2.660	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN[C@@H](c2ccccc2)C2CC2)c1	ZINC000343571579	268251151	/nfs/dbraw/zinc/25/11/51/268251151.db2.gz	BMTKZJMIVDJBSX-FQEVSTJZSA-N	0	3	319.408	2.915	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@@H](COC(F)F)C2)c1	ZINC000353030039	268273461	/nfs/dbraw/zinc/27/34/61/268273461.db2.gz	RKQBPRHVORLPFN-CQSZACIVSA-N	0	3	310.344	2.888	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccsc1	ZINC000530241994	268303701	/nfs/dbraw/zinc/30/37/01/268303701.db2.gz	FXDYFQMNPCLZEG-OWCLPIDISA-N	0	3	314.410	2.505	20	30		DFEDHN
Cc1cc(NC2CCN(CCOC(C)C)CC2)c(C#N)c(C)n1	ZINC000301808647	268323055	/nfs/dbraw/zinc/32/30/55/268323055.db2.gz	YPYCPIFSAJHYCP-UHFFFAOYSA-N	0	3	316.449	2.871	20	30		DFEDHN
CCCCCCCN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000157526972	425938044	/nfs/dbraw/zinc/93/80/44/425938044.db2.gz	FNNMCRBQVOZRCY-UHFFFAOYSA-N	0	3	309.498	2.587	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2cccc(C#N)n2)C1	ZINC000323787133	268350052	/nfs/dbraw/zinc/35/00/52/268350052.db2.gz	HNTWWYVHKRNRLA-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1C#N	ZINC000332278027	268359869	/nfs/dbraw/zinc/35/98/69/268359869.db2.gz	HPSMNPLZVYARCS-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[C@H](SCCN(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157846457	425939413	/nfs/dbraw/zinc/93/94/13/425939413.db2.gz	YQFSHMPPEVNEIY-BBBYJDLNSA-N	0	3	311.495	2.601	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)c2sccc2C#N)o1	ZINC000126052483	426002841	/nfs/dbraw/zinc/00/28/41/426002841.db2.gz	QVTHUVQDCLHLIE-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(C)n2)CC1	ZINC000126063056	426002918	/nfs/dbraw/zinc/00/29/18/426002918.db2.gz	AASPFZCUGKPNKA-UHFFFAOYSA-N	0	3	302.422	2.860	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1	ZINC000105905330	425969755	/nfs/dbraw/zinc/96/97/55/425969755.db2.gz	IIIQIFATVMNIHK-QGZVFWFLSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(F)(F)c2ccccc2)CC1	ZINC000106036112	425970239	/nfs/dbraw/zinc/97/02/39/425970239.db2.gz	ZYALJWCWDKOMBL-UHFFFAOYSA-N	0	3	308.372	2.935	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cccc3cccnc32)CC1	ZINC000106037346	425970663	/nfs/dbraw/zinc/97/06/63/425970663.db2.gz	OBSHJUCCEHMVBS-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000106035623	425970818	/nfs/dbraw/zinc/97/08/18/425970818.db2.gz	XRASNMXXIKMHSM-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
N#Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1	ZINC000070928370	425978558	/nfs/dbraw/zinc/97/85/58/425978558.db2.gz	RRXSDZYKVDJKPS-UHFFFAOYSA-N	0	3	320.396	2.600	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2c1CCCC2	ZINC000125576361	425979489	/nfs/dbraw/zinc/97/94/89/425979489.db2.gz	AZVDDPHMNOVCSC-LBPRGKRZSA-N	0	3	319.368	2.596	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCCCC1	ZINC000126576187	426026092	/nfs/dbraw/zinc/02/60/92/426026092.db2.gz	JZPMFBWNOWRTQL-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
CC[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1CCOC	ZINC000161936944	426045861	/nfs/dbraw/zinc/04/58/61/426045861.db2.gz	WFTKHFXCCCWHNO-KRWDZBQOSA-N	0	3	324.428	2.653	20	30		DFEDHN
COCCN(CCCSCC#N)Cc1ccc(C#N)cc1	ZINC000074989532	426060713	/nfs/dbraw/zinc/06/07/13/426060713.db2.gz	BHSSCPVQZPRUQT-UHFFFAOYSA-N	0	3	303.431	2.654	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1	ZINC000127476692	426068622	/nfs/dbraw/zinc/06/86/22/426068622.db2.gz	FUQVKGGUZZWUBT-MSOLQXFVSA-N	0	3	324.428	2.779	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2cccc(F)c2)CC1	ZINC000071953300	426006810	/nfs/dbraw/zinc/00/68/10/426006810.db2.gz	SNPMDJWJKPTXFS-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1	ZINC000163153086	426091061	/nfs/dbraw/zinc/09/10/61/426091061.db2.gz	GJUIFKUIMIGVQW-CKEIUWERSA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1Cl	ZINC000128226619	426107851	/nfs/dbraw/zinc/10/78/51/426107851.db2.gz	ZPERYOSCXHNPOZ-OAHLLOKOSA-N	0	3	324.852	2.667	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(C#N)c2)C1	ZINC000113343213	426112739	/nfs/dbraw/zinc/11/27/39/426112739.db2.gz	XSRXOFNHFRWBDS-OAHLLOKOSA-N	0	3	301.390	2.657	20	30		DFEDHN
[O-]c1ccccc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000128476408	426119354	/nfs/dbraw/zinc/11/93/54/426119354.db2.gz	IEJLZWQBMDNEKH-CYJQLDTJSA-N	0	3	302.418	2.579	20	30		DFEDHN
COCCN(CCc1c(C)noc1C)Cc1ccc(C#N)cc1	ZINC000165151184	426120460	/nfs/dbraw/zinc/12/04/60/426120460.db2.gz	OLDCCNNTPBVXEX-UHFFFAOYSA-N	0	3	313.401	2.854	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@@H](O)COCc1ccco1	ZINC000075673220	426080301	/nfs/dbraw/zinc/08/03/01/426080301.db2.gz	WBNPJDXPKZJPKE-QGZVFWFLSA-N	0	3	301.386	2.845	20	30		DFEDHN
CCc1cc(N2CCC[C@H](NCc3ccc(C#N)cc3)C2)ncn1	ZINC000112504854	426080608	/nfs/dbraw/zinc/08/06/08/426080608.db2.gz	PUFWRRORUCROSN-SFHVURJKSA-N	0	3	321.428	2.669	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](CNc2ccccn2)C1	ZINC000171640621	426200853	/nfs/dbraw/zinc/20/08/53/426200853.db2.gz	UUOSQMMCAFZRJU-MRXNPFEDSA-N	0	3	322.412	2.766	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000116959974	426202869	/nfs/dbraw/zinc/20/28/69/426202869.db2.gz	WCFRVRATPOMXHI-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCSC2(CCCCC2)C1	ZINC000131785966	426167269	/nfs/dbraw/zinc/16/72/69/426167269.db2.gz	AJEBDCNJNRAHID-UHFFFAOYSA-N	0	3	309.479	2.500	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN(CCC(C)(C)C#N)C2)nc1	ZINC000131885471	426167703	/nfs/dbraw/zinc/16/77/03/426167703.db2.gz	LDIVPBWWKGAYJJ-OAHLLOKOSA-N	0	3	314.433	2.980	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000078419950	426168872	/nfs/dbraw/zinc/16/88/72/426168872.db2.gz	YXOSPVIEPVBNGP-ZBFHGGJFSA-N	0	3	317.408	2.798	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2CCOC2)cc1OCCCC#N	ZINC000132170904	426168946	/nfs/dbraw/zinc/16/89/46/426168946.db2.gz	NOLRDBUDTZBNJH-HNNXBMFYSA-N	0	3	304.390	2.598	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000078419944	426169424	/nfs/dbraw/zinc/16/94/24/426169424.db2.gz	YXOSPVIEPVBNGP-GDBMZVCRSA-N	0	3	317.408	2.798	20	30		DFEDHN
C=CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1	ZINC000115641959	426170834	/nfs/dbraw/zinc/17/08/34/426170834.db2.gz	AKDSLHUBMYCHRH-WBVHZDCISA-N	0	3	317.433	2.563	20	30		DFEDHN
COc1ccc(CNCCOc2ccc(C#N)cc2)cc1OC	ZINC000078651658	426178985	/nfs/dbraw/zinc/17/89/85/426178985.db2.gz	VBDXOZNPGQORKF-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(C)cc2C)CC1	ZINC000171718846	426206349	/nfs/dbraw/zinc/20/63/49/426206349.db2.gz	HMZZKUARTBCIDT-UHFFFAOYSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@@H]1C	ZINC000172435753	426226370	/nfs/dbraw/zinc/22/63/70/426226370.db2.gz	NPMYEDWEYYXBCL-HOCLYGCPSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)s1	ZINC000136164956	426235982	/nfs/dbraw/zinc/23/59/82/426235982.db2.gz	JZALPNXZWJNPST-OLZOCXBDSA-N	0	3	322.478	2.591	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000118793949	426245481	/nfs/dbraw/zinc/24/54/81/426245481.db2.gz	XFJQUFLSHFUVSY-UHFFFAOYSA-N	0	3	306.797	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccccc2F)CC1	ZINC000171739028	426207863	/nfs/dbraw/zinc/20/78/63/426207863.db2.gz	QZDNMUFMLOMZEJ-UHFFFAOYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1	ZINC000171726968	426208031	/nfs/dbraw/zinc/20/80/31/426208031.db2.gz	RHDSXXXTNRCPMO-SJORKVTESA-N	0	3	317.408	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000171738745	426208193	/nfs/dbraw/zinc/20/81/93/426208193.db2.gz	WGLYLULHFUSYHF-UHFFFAOYSA-N	0	3	318.377	2.675	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(F)cc2OCC)CC1	ZINC000171739617	426208393	/nfs/dbraw/zinc/20/83/93/426208393.db2.gz	FZYYFYFRLIMWHZ-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
CN(CCCSCC#N)Cc1cnn(-c2ccccc2)c1	ZINC000080626463	426215546	/nfs/dbraw/zinc/21/55/46/426215546.db2.gz	ZOGYSRZOAYPYKK-UHFFFAOYSA-N	0	3	300.431	2.951	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2SCC)CC1	ZINC000175247382	426291057	/nfs/dbraw/zinc/29/10/57/426291057.db2.gz	OSDURLUWCQYGKL-CVEARBPZSA-N	0	3	308.491	2.512	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1	ZINC000175460684	426305813	/nfs/dbraw/zinc/30/58/13/426305813.db2.gz	UISSUFQLWWXUNU-QGZVFWFLSA-N	0	3	322.412	2.671	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1	ZINC000175460704	426306448	/nfs/dbraw/zinc/30/64/48/426306448.db2.gz	UISSUFQLWWXUNU-KRWDZBQOSA-N	0	3	322.412	2.671	20	30		DFEDHN
C=CCOc1ccc(CN[C@](C)(CCO)COC)cc1Cl	ZINC000175853727	426334621	/nfs/dbraw/zinc/33/46/21/426334621.db2.gz	SXBLSIRRDRCNKF-MRXNPFEDSA-N	0	3	313.825	2.782	20	30		DFEDHN
C[C@@H](CO[C@@H]1CCOC1)NCc1cccc(OCCCC#N)c1	ZINC000151227215	426284912	/nfs/dbraw/zinc/28/49/12/426284912.db2.gz	FEZQBBVQRCYLGX-MAUKXSAKSA-N	0	3	318.417	2.653	20	30		DFEDHN
CCC(=O)N1CC[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C1	ZINC000122900279	426401898	/nfs/dbraw/zinc/40/18/98/426401898.db2.gz	OYCFGUSIYNWIME-IYSPOMMRSA-N	0	3	317.433	2.668	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000176005055	426345717	/nfs/dbraw/zinc/34/57/17/426345717.db2.gz	FARKBFHERIMFGU-ZFWWWQNUSA-N	0	3	317.458	2.857	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1	ZINC000092659934	426351355	/nfs/dbraw/zinc/35/13/55/426351355.db2.gz	VLHFUZVEAFKBSD-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@](C)(O)c1cccs1	ZINC000153012188	426365507	/nfs/dbraw/zinc/36/55/07/426365507.db2.gz	MLKGOUUBBREUEI-KRWDZBQOSA-N	0	3	301.411	2.757	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](CC)C2)CC1	ZINC000176498969	426388777	/nfs/dbraw/zinc/38/87/77/426388777.db2.gz	KRSPQALGGOKEHB-HNNXBMFYSA-N	0	3	311.495	2.564	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H](NCc1cccc(C#N)c1)C1CC1	ZINC000153854020	426410497	/nfs/dbraw/zinc/41/04/97/426410497.db2.gz	WDMLHELCUXKGRZ-INIZCTEOSA-N	0	3	315.417	2.951	20	30		DFEDHN
C[C@H]1[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CCC[C@@H]1C	ZINC000176880277	426422079	/nfs/dbraw/zinc/42/20/79/426422079.db2.gz	PBBHYHLGYQFUBV-JJRVBVJISA-N	0	3	320.458	2.746	20	30		DFEDHN
CN(CCCNCc1ccc(C#N)s1)C(=O)OC(C)(C)C	ZINC000176962891	426428119	/nfs/dbraw/zinc/42/81/19/426428119.db2.gz	GGDVQZLIINWVOM-UHFFFAOYSA-N	0	3	309.435	2.966	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)s1	ZINC000176970803	426429670	/nfs/dbraw/zinc/42/96/70/426429670.db2.gz	VOYYTKSEDLPVTL-ZDUSSCGKSA-N	0	3	311.410	2.794	20	30		DFEDHN
Cn1cnc2cc(CNCCOc3ccc(C#N)cc3)ccc21	ZINC000341272071	269057413	/nfs/dbraw/zinc/05/74/13/269057413.db2.gz	NCWXQHZXSCRMEP-UHFFFAOYSA-N	0	3	306.369	2.614	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC000177208168	426453563	/nfs/dbraw/zinc/45/35/63/426453563.db2.gz	KRGVTCNFCGREES-UONOGXRCSA-N	0	3	300.402	2.606	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000154763721	426454186	/nfs/dbraw/zinc/45/41/86/426454186.db2.gz	HTATUIQJFMLSOH-CYBMUJFWSA-N	0	3	321.371	2.831	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)NCCN(CC)C1CC1	ZINC000102066886	426487940	/nfs/dbraw/zinc/48/79/40/426487940.db2.gz	KCOIJBPTRCOFFS-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CN(CC)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000155143140	426464404	/nfs/dbraw/zinc/46/44/04/426464404.db2.gz	CRIWKIJKDOQEPY-KRWDZBQOSA-N	0	3	315.461	2.622	20	30		DFEDHN
Cc1ccccc1[C@H]1C[C@@H](C)N([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000155216030	426466565	/nfs/dbraw/zinc/46/65/65/426466565.db2.gz	XSLKQOAWDYDREE-IKGGRYGDSA-N	0	3	313.445	2.933	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCSC2(CCOCC2)C1	ZINC000186335718	426508013	/nfs/dbraw/zinc/50/80/13/426508013.db2.gz	TZABVNGATDRFSA-UHFFFAOYSA-N	0	3	302.443	2.965	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2ccc(C#N)cc2F)CC1	ZINC000186356060	426512802	/nfs/dbraw/zinc/51/28/02/426512802.db2.gz	YAEZNSMDRWCHTN-LBPRGKRZSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCc1cc(CN(C)CCOCCCOC)cc(OC)c1O	ZINC000272392548	426515578	/nfs/dbraw/zinc/51/55/78/426515578.db2.gz	VHHYKBUZWOTSOZ-UHFFFAOYSA-N	0	3	323.433	2.614	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1	ZINC000272454680	426528795	/nfs/dbraw/zinc/52/87/95/426528795.db2.gz	QCEGZMTXVZPQIN-YOEHRIQHSA-N	0	3	315.417	2.809	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC(C)CC1	ZINC000177894761	426534296	/nfs/dbraw/zinc/53/42/96/426534296.db2.gz	MRFSJUVKBDBPLV-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
CCc1nc(CC/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])no1	ZINC000264373286	426543619	/nfs/dbraw/zinc/54/36/19/426543619.db2.gz	XADDSFRAIUTYNI-LDADJPATSA-N	0	3	316.405	2.845	20	30		DFEDHN
C[C@@H]1Oc2ccccc2OC1C(=O)N(CC#N)c1ccccc1	ZINC000194662384	426489941	/nfs/dbraw/zinc/48/99/41/426489941.db2.gz	OBLABZVCFVQVRZ-SUMWQHHRSA-N	0	3	308.337	2.772	20	30		DFEDHN
C[C@H]1Oc2ccccc2OC1C(=O)N(CC#N)c1ccccc1	ZINC000194662371	426490210	/nfs/dbraw/zinc/49/02/10/426490210.db2.gz	OBLABZVCFVQVRZ-CXAGYDPISA-N	0	3	308.337	2.772	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000186223534	426495512	/nfs/dbraw/zinc/49/55/12/426495512.db2.gz	XDBUODXQRGBGTO-KRWDZBQOSA-N	0	3	321.428	2.784	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)C[C@@H](O)COCc1ccccc1	ZINC000186229339	426496180	/nfs/dbraw/zinc/49/61/80/426496180.db2.gz	UKWUAFUPKJAPPE-HXUWFJFHSA-N	0	3	324.424	2.876	20	30		DFEDHN
COCCCOC1CCN(Cc2ccc(C#N)cc2C)CC1	ZINC000186239904	426496471	/nfs/dbraw/zinc/49/64/71/426496471.db2.gz	XFONQKPRXHPSSC-UHFFFAOYSA-N	0	3	302.418	2.884	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCOCCCOC)cc1OC	ZINC000272352168	426504870	/nfs/dbraw/zinc/50/48/70/426504870.db2.gz	KWXKDSFRVZACOU-UHFFFAOYSA-N	0	3	323.433	2.745	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1	ZINC000178094846	426569716	/nfs/dbraw/zinc/56/97/16/426569716.db2.gz	QULHFJXXYACGCK-UONOGXRCSA-N	0	3	302.418	2.652	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c[nH]nc2-c2ccsc2)CC1	ZINC000186688225	426579011	/nfs/dbraw/zinc/57/90/11/426579011.db2.gz	KTSNNXWUZAMAGC-UHFFFAOYSA-N	0	3	316.430	2.518	20	30		DFEDHN
COC(C)(C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280528526	426592752	/nfs/dbraw/zinc/59/27/52/426592752.db2.gz	SFYPYLRQAAXXPE-XJKSGUPXSA-N	0	3	313.401	2.560	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280546057	426597269	/nfs/dbraw/zinc/59/72/69/426597269.db2.gz	ZQRNVCLLRXAUEY-HNNXBMFYSA-N	0	3	313.426	2.595	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1CCOc1ccccc1C#N	ZINC000178311801	426603164	/nfs/dbraw/zinc/60/31/64/426603164.db2.gz	KUMNSQGDGGGIMJ-KRWDZBQOSA-N	0	3	310.401	2.607	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000280685581	426632182	/nfs/dbraw/zinc/63/21/82/426632182.db2.gz	RBUAGLZTOXSWBX-CZUORRHYSA-N	0	3	323.396	2.853	20	30		DFEDHN
C=C(Cl)CNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000265490250	426646496	/nfs/dbraw/zinc/64/64/96/426646496.db2.gz	VLUHBGZKXYFBSJ-UHFFFAOYSA-N	0	3	321.852	2.745	20	30		DFEDHN
C=CCCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000265576465	426655936	/nfs/dbraw/zinc/65/59/36/426655936.db2.gz	PVFRBMAZAGHHFT-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000273467676	426669466	/nfs/dbraw/zinc/66/94/66/426669466.db2.gz	JASMUUSDHXLTRI-JTQLQIEISA-N	0	3	322.883	2.624	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(c3ccccc3F)CC2)CC1	ZINC000265666510	426672826	/nfs/dbraw/zinc/67/28/26/426672826.db2.gz	QLQITXWYOUWBBD-UHFFFAOYSA-N	0	3	302.393	2.624	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCc1ccccc1COCC	ZINC000265666242	426673103	/nfs/dbraw/zinc/67/31/03/426673103.db2.gz	YISNVEBKEMFCSD-UHFFFAOYSA-N	0	3	304.434	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccccc3)[nH]2)CC1	ZINC000265688196	426675471	/nfs/dbraw/zinc/67/54/71/426675471.db2.gz	VOUGCBOKZROOFB-UHFFFAOYSA-N	0	3	324.428	2.847	20	30		DFEDHN
CNC(=O)[C@@]1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000281112910	426703204	/nfs/dbraw/zinc/70/32/04/426703204.db2.gz	NJATWQDEGJZKAZ-INIZCTEOSA-N	0	3	324.346	2.515	20	30		DFEDHN
C#CCN(Cc1ccccc1N(C)C1CCN(C)CC1)C1CC1	ZINC000274139149	426718029	/nfs/dbraw/zinc/71/80/29/426718029.db2.gz	QNIHOHNFFMYUEK-UHFFFAOYSA-N	0	3	311.473	2.815	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@]12CCCO2	ZINC000274182550	426720963	/nfs/dbraw/zinc/72/09/63/426720963.db2.gz	IYZKBPQFEJJPOC-BVPBIZIASA-N	0	3	300.402	2.935	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc3oc(C)nc3c2)CC1	ZINC000280962348	426695684	/nfs/dbraw/zinc/69/56/84/426695684.db2.gz	REIXDGDEIZJGRY-UHFFFAOYSA-N	0	3	313.401	2.907	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1	ZINC000245860194	426776579	/nfs/dbraw/zinc/77/65/79/426776579.db2.gz	HTWLYKNWFOQBJP-QAPCUYQASA-N	0	3	301.434	2.566	20	30		DFEDHN
CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290492937	426777279	/nfs/dbraw/zinc/77/72/79/426777279.db2.gz	IDRLHBBBRFSBDY-GMTAPVOTSA-N	0	3	309.797	2.552	20	30		DFEDHN
CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000245446287	426739657	/nfs/dbraw/zinc/73/96/57/426739657.db2.gz	LALHOVVXEXPVBI-QLFBSQMISA-N	0	3	311.495	2.601	20	30		DFEDHN
Cn1cc(CN(Cc2ccco2)C2CCN(C)CC2)cc1C#N	ZINC000290417779	426759769	/nfs/dbraw/zinc/75/97/69/426759769.db2.gz	KMUKHIPGJHKUJC-UHFFFAOYSA-N	0	3	312.417	2.586	20	30		DFEDHN
CS[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1N1CCCC1	ZINC000274695992	426818746	/nfs/dbraw/zinc/81/87/46/426818746.db2.gz	SELLVYPQEOFQKS-HZPDHXFCSA-N	0	3	305.422	2.713	20	30		DFEDHN
CS[C@@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246407916	426831254	/nfs/dbraw/zinc/83/12/54/426831254.db2.gz	BHPYFAAXAQNSOV-LSDHHAIUSA-N	0	3	323.506	2.935	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)COc1ccc(C#N)cc1	ZINC000267153184	426832469	/nfs/dbraw/zinc/83/24/69/426832469.db2.gz	NATNDRAZECZLOQ-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
CN(C)C/C=C/C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000282118298	426833445	/nfs/dbraw/zinc/83/34/45/426833445.db2.gz	HJAVYMMZMGFOLV-ONEGZZNKSA-N	0	3	313.279	2.513	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000180227039	426844026	/nfs/dbraw/zinc/84/40/26/426844026.db2.gz	CPVIDBDGMIVIRT-IXDOHACOSA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](Nc2ccccc2)C1	ZINC000246036716	426792355	/nfs/dbraw/zinc/79/23/55/426792355.db2.gz	WADPRWTXVZEDGJ-SJLPKXTDSA-N	0	3	313.445	2.762	20	30		DFEDHN
C=CCN1CC[C@@H]([N@H+](CCCC)Cc2ccccc2[O-])C1=O	ZINC000282498590	426919704	/nfs/dbraw/zinc/91/97/04/426919704.db2.gz	QOUXEKCQPJEYHZ-MRXNPFEDSA-N	0	3	302.418	2.781	20	30		DFEDHN
C=CCN1CC[C@@H]([N@@H+](CCCC)Cc2ccccc2[O-])C1=O	ZINC000282498590	426919709	/nfs/dbraw/zinc/91/97/09/426919709.db2.gz	QOUXEKCQPJEYHZ-MRXNPFEDSA-N	0	3	302.418	2.781	20	30		DFEDHN
C#C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282721944	426921823	/nfs/dbraw/zinc/92/18/23/426921823.db2.gz	KTCNHLROFSLZEI-WBVHZDCISA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccccc2CCOC)CC1	ZINC000189514419	426875920	/nfs/dbraw/zinc/87/59/20/426875920.db2.gz	VQFSOELWEIHWPN-UHFFFAOYSA-N	0	3	317.433	2.647	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@](C)(CCO)COC)ccc1OC	ZINC000267343517	426876440	/nfs/dbraw/zinc/87/64/40/426876440.db2.gz	KLLCJWUAPAHEMZ-SFHVURJKSA-N	0	3	323.433	2.527	20	30		DFEDHN
CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000267529520	426882090	/nfs/dbraw/zinc/88/20/90/426882090.db2.gz	PSWLRDTZUQTBAY-DLBZAZTESA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](OCCC)CC1	ZINC000247073524	426901236	/nfs/dbraw/zinc/90/12/36/426901236.db2.gz	HTKLBWWMTRLKPA-SJORKVTESA-N	0	3	308.466	2.857	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C	ZINC000247079783	426901993	/nfs/dbraw/zinc/90/19/93/426901993.db2.gz	NFUJNZOCLANWAR-SJORKVTESA-N	0	3	313.445	2.935	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000181535276	426961989	/nfs/dbraw/zinc/96/19/89/426961989.db2.gz	HFYLQKORMGNDTI-CYBMUJFWSA-N	0	3	309.369	2.943	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCOCC1)C(C)C	ZINC000181635045	426971053	/nfs/dbraw/zinc/97/10/53/426971053.db2.gz	SPGWUFJBKYOFNI-DLBZAZTESA-N	0	3	323.481	2.553	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@H](C2CC2)C2CCC2)c1	ZINC000325052955	426978608	/nfs/dbraw/zinc/97/86/08/426978608.db2.gz	UJJQSIJZYPEVOF-KRWDZBQOSA-N	0	3	318.442	2.500	20	30		DFEDHN
C=CCCN(C)C(=O)NCCCN1CCc2ccccc2C1	ZINC000276076684	426979029	/nfs/dbraw/zinc/97/90/29/426979029.db2.gz	KRQRLZRGGLWIQT-UHFFFAOYSA-N	0	3	301.434	2.652	20	30		DFEDHN
C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)Nc1nccs1	ZINC000328671728	426988957	/nfs/dbraw/zinc/98/89/57/426988957.db2.gz	HMOANFUFAJWIEO-NNYUYHANSA-N	0	3	307.419	2.667	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)c1ccc(C#N)cn1	ZINC000268346693	426993170	/nfs/dbraw/zinc/99/31/70/426993170.db2.gz	TXQNPJCYESGOCZ-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1	ZINC000282923876	426934387	/nfs/dbraw/zinc/93/43/87/426934387.db2.gz	HOBPSAJBBNXFFN-GOSISDBHSA-N	0	3	309.413	2.989	20	30		DFEDHN
CC[C@@H](C)n1nc(NC(=O)NC2CCN(C3CC3)CC2)cc1C	ZINC000329178104	427057881	/nfs/dbraw/zinc/05/78/81/427057881.db2.gz	CNEYGUYWCMOMIM-GFCCVEGCSA-N	0	3	319.453	3.115	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000268582374	427059582	/nfs/dbraw/zinc/05/95/82/427059582.db2.gz	TZVKBQAWXBONJY-MRXNPFEDSA-N	0	3	300.402	2.729	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1(C)C	ZINC000329181154	427060227	/nfs/dbraw/zinc/06/02/27/427060227.db2.gz	DQCORMGUMLIGCV-SYAUCNOPSA-N	0	3	324.465	2.646	20	30		DFEDHN
CNC(=O)CC[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1	ZINC000329185957	427061182	/nfs/dbraw/zinc/06/11/82/427061182.db2.gz	GHIWGSNFTHAIGX-MRXNPFEDSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@](O)(CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CC1	ZINC000328770780	426996015	/nfs/dbraw/zinc/99/60/15/426996015.db2.gz	AGMCLGZFQJBUCH-WMZOPIPTSA-N	0	3	302.418	2.769	20	30		DFEDHN
Cc1cc(C)cc([C@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000248442555	427000437	/nfs/dbraw/zinc/00/04/37/427000437.db2.gz	FBSFXIFREUIPKX-SJORKVTESA-N	0	3	313.445	2.853	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1cnc(C2CC2)nc1	ZINC000328872772	427007296	/nfs/dbraw/zinc/00/72/96/427007296.db2.gz	QRZSZTZYQHOAMA-CHWSQXEVSA-N	0	3	302.422	2.726	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	ZINC000329016725	427028470	/nfs/dbraw/zinc/02/84/70/427028470.db2.gz	KKLOOKFHRMSQCT-CABCVRRESA-N	0	3	323.481	2.854	20	30		DFEDHN
CCn1cc(CCN2CCCN(c3ccccc3C#N)CC2)cn1	ZINC000276335327	427037263	/nfs/dbraw/zinc/03/72/63/427037263.db2.gz	RYAMZEKKXZLZNN-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
CN(C(=O)C1(C#N)CCCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268541876	427049313	/nfs/dbraw/zinc/04/93/13/427049313.db2.gz	LGPGUCPPGQOAEZ-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)N1[C@H](C)CC[C@@H]1C	ZINC000329149302	427053498	/nfs/dbraw/zinc/05/34/98/427053498.db2.gz	QMYTUTCHLCFGAU-JRBZFYFNSA-N	0	3	310.438	2.542	20	30		DFEDHN
NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1	ZINC000329290344	427083625	/nfs/dbraw/zinc/08/36/25/427083625.db2.gz	ALVFRMNDXKETEQ-HIFRSBDPSA-N	0	3	322.453	2.555	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)NCC1C[C@H](C)O[C@@H](C)C1	ZINC000329296154	427084303	/nfs/dbraw/zinc/08/43/03/427084303.db2.gz	KIMNRJIPCQUQMQ-OFQRWUPVSA-N	0	3	311.470	2.568	20	30		DFEDHN
C[C@@H]1CCC[C@@]1(O)CNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000329307334	427086911	/nfs/dbraw/zinc/08/69/11/427086911.db2.gz	POUZZDUATOUGAA-CRAIPNDOSA-N	0	3	324.465	2.529	20	30		DFEDHN
C=CCC[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccco1	ZINC000276511052	427087465	/nfs/dbraw/zinc/08/74/65/427087465.db2.gz	ZEXPTHBLIRQWCE-LSDHHAIUSA-N	0	3	307.390	2.799	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2ccnc(C#N)c2)CC1	ZINC000283880381	427093089	/nfs/dbraw/zinc/09/30/89/427093089.db2.gz	VEOSFUNUUCELEL-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)C1=CCN(C)CC1	ZINC000329339378	427094966	/nfs/dbraw/zinc/09/49/66/427094966.db2.gz	NQHWTSFVKJNNBQ-YQQAZPJKSA-N	0	3	323.481	2.736	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCn2cncc2C1	ZINC000329429945	427112987	/nfs/dbraw/zinc/11/29/87/427112987.db2.gz	HZKGVWKVQDJWIA-QLFBSQMISA-N	0	3	304.438	2.522	20	30		DFEDHN
CC[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000190473676	427118043	/nfs/dbraw/zinc/11/80/43/427118043.db2.gz	QGVNFQNNLULWHG-HNNXBMFYSA-N	0	3	301.434	2.885	20	30		DFEDHN
C[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)C1=CCN(C)CC1	ZINC000329474216	427123258	/nfs/dbraw/zinc/12/32/58/427123258.db2.gz	AVAYTGLTJZOSHZ-CYBMUJFWSA-N	0	3	315.417	2.968	20	30		DFEDHN
O=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@H]1CCc2[nH]cnc2C1	ZINC000329504494	427127354	/nfs/dbraw/zinc/12/73/54/427127354.db2.gz	ACTXEAXQTYETNG-KCQAQPDRSA-N	0	3	302.422	2.739	20	30		DFEDHN
O=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@H]1CCc2nc[nH]c2C1	ZINC000329504494	427127361	/nfs/dbraw/zinc/12/73/61/427127361.db2.gz	ACTXEAXQTYETNG-KCQAQPDRSA-N	0	3	302.422	2.739	20	30		DFEDHN
CCO[C@@H](C)c1ncc(C(=O)NCC2=CCN(C)CC2)s1	ZINC000329212548	427063776	/nfs/dbraw/zinc/06/37/76/427063776.db2.gz	HXDGYPJFXAOMSE-NSHDSACASA-N	0	3	309.435	2.807	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000292206132	427132801	/nfs/dbraw/zinc/13/28/01/427132801.db2.gz	AUYSULQSEOMHTR-CQSZACIVSA-N	0	3	311.429	2.813	20	30		DFEDHN
COc1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1Cl	ZINC000268930951	427140197	/nfs/dbraw/zinc/14/01/97/427140197.db2.gz	YDXWMBCLBPGJRG-UHFFFAOYSA-N	0	3	321.808	2.913	20	30		DFEDHN
CC[C@@H](C)N1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000296299149	427140959	/nfs/dbraw/zinc/14/09/59/427140959.db2.gz	ZRRIESYXYBBQMD-MRXNPFEDSA-N	0	3	301.434	2.743	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000268998093	427146528	/nfs/dbraw/zinc/14/65/28/427146528.db2.gz	OHUARHADKOKBAL-SJLPKXTDSA-N	0	3	300.402	2.716	20	30		DFEDHN
CCc1nc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n[nH]1	ZINC000190696095	427163640	/nfs/dbraw/zinc/16/36/40/427163640.db2.gz	KERPPNQIMBBHLA-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000190696095	427163648	/nfs/dbraw/zinc/16/36/48/427163648.db2.gz	KERPPNQIMBBHLA-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)[nH]1	ZINC000190696095	427163652	/nfs/dbraw/zinc/16/36/52/427163652.db2.gz	KERPPNQIMBBHLA-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CC[C@H]1CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000292315882	427171559	/nfs/dbraw/zinc/17/15/59/427171559.db2.gz	DYYJXHHBWPKLRI-NSHDSACASA-N	0	3	303.431	2.921	20	30		DFEDHN
Cn1cc(CNCc2ccc(-n3ccnc3)c(F)c2)cc1C#N	ZINC000190870102	427192092	/nfs/dbraw/zinc/19/20/92/427192092.db2.gz	BSOXHXZDOJQXEL-UHFFFAOYSA-N	0	3	309.348	2.511	20	30		DFEDHN
Cc1cc([C@@](C)(O)CNCc2ccc(C#N)cc2F)c(C)o1	ZINC000269443611	427196717	/nfs/dbraw/zinc/19/67/17/427196717.db2.gz	UECOKMZKMQVGRK-KRWDZBQOSA-N	0	3	302.349	2.905	20	30		DFEDHN
Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000292895251	427203853	/nfs/dbraw/zinc/20/38/53/427203853.db2.gz	ZKJKPEOXRCTLDI-MRXNPFEDSA-N	0	3	309.369	2.621	20	30		DFEDHN
Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000292895251	427203860	/nfs/dbraw/zinc/20/38/60/427203860.db2.gz	ZKJKPEOXRCTLDI-MRXNPFEDSA-N	0	3	309.369	2.621	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1	ZINC000183128882	427205381	/nfs/dbraw/zinc/20/53/81/427205381.db2.gz	LDVZVSBPQOQMLE-DZKIICNBSA-N	0	3	322.474	2.808	20	30		DFEDHN
CCN(CC)C(=O)C1(NCc2cc(C#N)n(C)c2)CCCCC1	ZINC000190945071	427210004	/nfs/dbraw/zinc/21/00/04/427210004.db2.gz	WOHAIYPXMKRRFI-UHFFFAOYSA-N	0	3	316.449	2.558	20	30		DFEDHN
CCOC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000285604022	427286010	/nfs/dbraw/zinc/28/60/10/427286010.db2.gz	CBRSKXPMYWPQOZ-OAHLLOKOSA-N	0	3	323.824	2.801	20	30		DFEDHN
C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(F)F	ZINC000293188733	427240809	/nfs/dbraw/zinc/24/08/09/427240809.db2.gz	SZPWPUVHQYWDPJ-CYBMUJFWSA-N	0	3	323.387	2.740	20	30		DFEDHN
N#Cc1ccc(/C=C/C(=O)NC[C@@H]2CCCCN2C2CC2)cc1	ZINC000277556778	427241118	/nfs/dbraw/zinc/24/11/18/427241118.db2.gz	OUZDHCMMMNHRLE-MZEUMTGBSA-N	0	3	309.413	2.705	20	30		DFEDHN
CCn1nc(C)c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1C	ZINC000330462560	427245257	/nfs/dbraw/zinc/24/52/57/427245257.db2.gz	SMOMGMFIADQIPU-CHWSQXEVSA-N	0	3	306.454	2.945	20	30		DFEDHN
C[C@@H]1COCC[C@H]1NCc1cc(C#N)ccc1Br	ZINC000277566716	427246263	/nfs/dbraw/zinc/24/62/63/427246263.db2.gz	USUTYYCHLCRBBF-QMTHXVAHSA-N	0	3	309.207	2.835	20	30		DFEDHN
CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H]1CCCN(C)C1	ZINC000285492807	427249507	/nfs/dbraw/zinc/24/95/07/427249507.db2.gz	CIWJFEIWEKBCAK-MRXNPFEDSA-N	0	3	317.408	2.528	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000330515265	427256495	/nfs/dbraw/zinc/25/64/95/427256495.db2.gz	LUIOVYYRJODWRI-CVEARBPZSA-N	0	3	323.481	2.734	20	30		DFEDHN
C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)n(C)c1	ZINC000191152375	427269387	/nfs/dbraw/zinc/26/93/87/427269387.db2.gz	XRXKXTIODDYACC-CQSZACIVSA-N	0	3	320.400	2.670	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000277762511	427310164	/nfs/dbraw/zinc/31/01/64/427310164.db2.gz	SIINOYKJAJXUAU-XLIONFOSSA-N	0	3	322.452	2.819	20	30		DFEDHN
COc1ncccc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000285692416	427310943	/nfs/dbraw/zinc/31/09/43/427310943.db2.gz	OMFSDYZDRQZSQI-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000330892166	427313107	/nfs/dbraw/zinc/31/31/07/427313107.db2.gz	DAIQUVMRUKGDDC-DGCLKSJQSA-N	0	3	321.377	2.781	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1	ZINC000330992574	427324937	/nfs/dbraw/zinc/32/49/37/427324937.db2.gz	NIVOKQYOMVICBR-JSGCOSHPSA-N	0	3	321.469	2.557	20	30		DFEDHN
CC(C)C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N(C)C	ZINC000285749237	427325461	/nfs/dbraw/zinc/32/54/61/427325461.db2.gz	YQZDDHNREYETMR-ZDUSSCGKSA-N	0	3	307.825	2.918	20	30		DFEDHN
C=C[C@@H](CC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1	ZINC000270358938	427331812	/nfs/dbraw/zinc/33/18/12/427331812.db2.gz	JPRZPXQMGPMFCR-MAUKXSAKSA-N	0	3	318.486	2.900	20	30		DFEDHN
CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000191391579	427339555	/nfs/dbraw/zinc/33/95/55/427339555.db2.gz	WURQNSBDUNPILY-JKSUJKDBSA-N	0	3	315.417	2.680	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n([C@H](C)CC)n2)CC1	ZINC000330725989	427296175	/nfs/dbraw/zinc/29/61/75/427296175.db2.gz	FCIGPHQFDWHLOV-CYBMUJFWSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC(C)c1nn(C)cc1NC(=O)N(CCN(C)C)C1CCCC1	ZINC000331221648	427373091	/nfs/dbraw/zinc/37/30/91/427373091.db2.gz	CGUUCZFUINZNOI-UHFFFAOYSA-N	0	3	321.469	2.895	20	30		DFEDHN
COc1cccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1O	ZINC000331248566	427381385	/nfs/dbraw/zinc/38/13/85/427381385.db2.gz	WWOCIVLRDOMOTH-AWEZNQCLSA-N	0	3	306.406	2.826	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(C#N)c1	ZINC000331297249	427395941	/nfs/dbraw/zinc/39/59/41/427395941.db2.gz	APLZSFACVAFJFK-INIZCTEOSA-N	0	3	314.433	2.682	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C	ZINC000286016699	427400831	/nfs/dbraw/zinc/40/08/31/427400831.db2.gz	RLLFASBFKSKPRR-FRRDWIJNSA-N	0	3	300.406	2.800	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@H](C)N2CCc3ccccc3C2)n1	ZINC000286020244	427405299	/nfs/dbraw/zinc/40/52/99/427405299.db2.gz	FUXQZSPSNDLKIE-CQSZACIVSA-N	0	3	307.401	2.515	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)OCC	ZINC000270645911	427363723	/nfs/dbraw/zinc/36/37/23/427363723.db2.gz	LQFVJZJOMWLCJK-AOIWGVFYSA-N	0	3	316.445	2.919	20	30		DFEDHN
C#CCOc1ccc(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1	ZINC000271003200	427367589	/nfs/dbraw/zinc/36/75/89/427367589.db2.gz	YIQGPWIIHRSICJ-HNNXBMFYSA-N	0	3	314.429	2.501	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)c(F)c1	ZINC000331193538	427367944	/nfs/dbraw/zinc/36/79/44/427367944.db2.gz	YABACKVIRZAEDB-WMLDXEAASA-N	0	3	304.365	2.909	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)s1)C2	ZINC000271203787	427450816	/nfs/dbraw/zinc/45/08/16/427450816.db2.gz	GBYDNSJMVHFEKE-LBPRGKRZSA-N	0	3	300.383	2.722	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(C2(C)OCCO2)CC1	ZINC000271212283	427453071	/nfs/dbraw/zinc/45/30/71/427453071.db2.gz	YVEKMGVQMYYKSU-UHFFFAOYSA-N	0	3	315.413	2.674	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)[C@H](CC)C2)ccc1OC	ZINC000271273004	427475928	/nfs/dbraw/zinc/47/59/28/427475928.db2.gz	KBLLLHDQDIXYTO-CVEARBPZSA-N	0	3	305.418	2.853	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(C)CCN(C)C1CC1	ZINC000184220298	427420541	/nfs/dbraw/zinc/42/05/41/427420541.db2.gz	FALVHRMVCAIGNP-UHFFFAOYSA-N	0	3	316.405	2.515	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000331508354	427426476	/nfs/dbraw/zinc/42/64/76/427426476.db2.gz	IDEDSLASZLYFEG-XJKSGUPXSA-N	0	3	307.401	2.871	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000184280286	427430002	/nfs/dbraw/zinc/43/00/02/427430002.db2.gz	RSAZLKCMYOCETO-GFCCVEGCSA-N	0	3	302.330	2.881	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000286132416	427432388	/nfs/dbraw/zinc/43/23/88/427432388.db2.gz	OBUBIJDPLAPWAM-ZIAGYGMSSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCN1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000287235907	427554471	/nfs/dbraw/zinc/55/44/71/427554471.db2.gz	JIAUISBLIQQEKY-UHFFFAOYSA-N	0	3	315.808	2.922	20	30		DFEDHN
CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1F	ZINC000286368428	427505572	/nfs/dbraw/zinc/50/55/72/427505572.db2.gz	HUHNQTNRRNYAFV-HNNXBMFYSA-N	0	3	303.381	2.578	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1	ZINC000192243388	427508806	/nfs/dbraw/zinc/50/88/06/427508806.db2.gz	KRQMXETUBIGWOK-LJQANCHMSA-N	0	3	319.408	2.757	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000338826592	427509298	/nfs/dbraw/zinc/50/92/98/427509298.db2.gz	BGSNEAXZFMKAGZ-HNNXBMFYSA-N	0	3	303.454	2.508	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(c3ccncn3)CC2)cc1	ZINC000298061037	427513592	/nfs/dbraw/zinc/51/35/92/427513592.db2.gz	GGRIVALFZQWDKW-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)C1	ZINC000338913538	427555782	/nfs/dbraw/zinc/55/57/82/427555782.db2.gz	RKZBMNVDVSSRPU-VYDXJSESSA-N	0	3	303.450	2.649	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@@H]2CC[C@H](C#N)C2)CC1	ZINC000339001409	427614757	/nfs/dbraw/zinc/61/47/57/427614757.db2.gz	HIXIWLBUSAVZNJ-DOTOQJQBSA-N	0	3	312.413	2.885	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cn2cccnc2n1)C(C)C	ZINC000298465958	427618426	/nfs/dbraw/zinc/61/84/26/427618426.db2.gz	OORTVDSZWUUEQC-QGZVFWFLSA-N	0	3	313.449	2.518	20	30		DFEDHN
N#Cc1cccc(OC2CCN(CCOC3CCC3)CC2)c1	ZINC000287269715	427564373	/nfs/dbraw/zinc/56/43/73/427564373.db2.gz	LDSZJWGGGKYYBQ-UHFFFAOYSA-N	0	3	300.402	2.971	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CCCN(C(C)C)CC1	ZINC000332294744	427570511	/nfs/dbraw/zinc/57/05/11/427570511.db2.gz	KBMVPNAELQBMSV-UHFFFAOYSA-N	0	3	300.406	2.815	20	30		DFEDHN
CCN(CC)[C@H](CNc1nccnc1C#N)c1ccsc1	ZINC000263809899	427579657	/nfs/dbraw/zinc/57/96/57/427579657.db2.gz	MZBNQNGJHIIYAL-CQSZACIVSA-N	0	3	301.419	2.905	20	30		DFEDHN
N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](N3CCCC3)C2)cc1	ZINC000332359448	427590214	/nfs/dbraw/zinc/59/02/14/427590214.db2.gz	SBKLWQLJFMBHPT-SJORKVTESA-N	0	3	312.417	2.695	20	30		DFEDHN
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000287384762	427596237	/nfs/dbraw/zinc/59/62/37/427596237.db2.gz	XYVGFKYIUBHBTA-WBMJQRKESA-N	0	3	317.820	2.910	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NCc3ccccc3)C2=O)cc1	ZINC000272163396	427656785	/nfs/dbraw/zinc/65/67/85/427656785.db2.gz	DUGDFPJMPVHEGN-GOSISDBHSA-N	0	3	305.381	2.843	20	30		DFEDHN
COc1ccc(CNC[C@@H](Cc2ccccc2)OC)cc1C#N	ZINC000294766654	427657554	/nfs/dbraw/zinc/65/75/54/427657554.db2.gz	JSFCBMHKXUUISA-GOSISDBHSA-N	0	3	310.397	2.914	20	30		DFEDHN
C=CCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000279408293	427665089	/nfs/dbraw/zinc/66/50/89/427665089.db2.gz	XCIRJKAJWJMGPS-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000193144873	427673040	/nfs/dbraw/zinc/67/30/40/427673040.db2.gz	CYPTUXZYNGJNQZ-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1	ZINC000185647884	427685609	/nfs/dbraw/zinc/68/56/09/427685609.db2.gz	YJXSTBVPRMSIHP-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@H]1CCC[C@@H]1CCO	ZINC000287967433	427723484	/nfs/dbraw/zinc/72/34/84/427723484.db2.gz	ZCTLLIGPZDTQFR-ABAIWWIYSA-N	0	3	323.234	2.961	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2ccnc(C#N)c2)cc1	ZINC000287886551	427709478	/nfs/dbraw/zinc/70/94/78/427709478.db2.gz	NHHKDECEKYIWIF-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000336854222	427760038	/nfs/dbraw/zinc/76/00/38/427760038.db2.gz	NBHSCYYLGVNYGT-DOMZBBRYSA-N	0	3	300.362	2.529	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCCOC	ZINC000299273651	427764848	/nfs/dbraw/zinc/76/48/48/427764848.db2.gz	PFFKGWHGQPWSFL-CQSZACIVSA-N	0	3	310.463	2.620	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1CCCOc1cccc(C#N)c1	ZINC000336867890	427766634	/nfs/dbraw/zinc/76/66/34/427766634.db2.gz	PWDCNJDNRMGSQP-WMZOPIPTSA-N	0	3	313.445	2.886	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H]2Cc2ccccc2)cc1	ZINC000336878989	427770942	/nfs/dbraw/zinc/77/09/42/427770942.db2.gz	KLGHKXXZNAQUQC-MOPGFXCFSA-N	0	3	322.408	2.615	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN(C2CCCCC2)CC1)OCC	ZINC000339507615	427785696	/nfs/dbraw/zinc/78/56/96/427785696.db2.gz	HHUHRLZDOHCGAO-KRWDZBQOSA-N	0	3	308.466	2.835	20	30		DFEDHN
CC(C)N(CCN(C)C)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000337011425	427787682	/nfs/dbraw/zinc/78/76/82/427787682.db2.gz	GVGHKHFVXYQOEV-UHFFFAOYSA-N	0	3	300.328	2.748	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC[C@@H]1CCCO1)c1ccccc1	ZINC000299079209	427748457	/nfs/dbraw/zinc/74/84/57/427748457.db2.gz	UALXQRTUCCYLBO-DLBZAZTESA-N	0	3	302.418	2.579	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2c(Cl)cccc2C#N)CC1	ZINC000301568552	427806818	/nfs/dbraw/zinc/80/68/18/427806818.db2.gz	ZUKFYOHQGARMPE-CYBMUJFWSA-N	0	3	306.841	2.650	20	30		DFEDHN
C=CCN1CC[C@H](NC2(c3ccc(F)cc3)CCCC2)C1=O	ZINC000337166514	427808764	/nfs/dbraw/zinc/80/87/64/427808764.db2.gz	ZUMUYXFPHALTIZ-INIZCTEOSA-N	0	3	302.393	2.972	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](N(C)C)C1	ZINC000339876519	427858016	/nfs/dbraw/zinc/85/80/16/427858016.db2.gz	GFNXYSPSLQJPPS-CYBMUJFWSA-N	0	3	313.426	2.858	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCCC[C@H]2OCCC(C)C)C1=O	ZINC000337254507	427824790	/nfs/dbraw/zinc/82/47/90/427824790.db2.gz	SKHWYRGVORCWRD-YESZJQIVSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](CCCCOC)c2ccccc2)C1=O	ZINC000337262954	427827109	/nfs/dbraw/zinc/82/71/09/427827109.db2.gz	WVUQETDQJDKDRS-MSOLQXFVSA-N	0	3	316.445	2.921	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)NCC(C)(C)CCC#N	ZINC000355645095	427835426	/nfs/dbraw/zinc/83/54/26/427835426.db2.gz	XCFPXXKNIZQMEI-CQSZACIVSA-N	0	3	308.470	2.736	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1Cl	ZINC000355667877	427842762	/nfs/dbraw/zinc/84/27/62/427842762.db2.gz	DZZORLRHTGTDEF-MRXNPFEDSA-N	0	3	308.809	2.602	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CC1	ZINC000355670787	427842770	/nfs/dbraw/zinc/84/27/70/427842770.db2.gz	GJIXUVBYMZHZGG-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCN(CC)[C@H](CNc1ccc(C#N)nn1)c1ccsc1	ZINC000301935291	427844121	/nfs/dbraw/zinc/84/41/21/427844121.db2.gz	QVENTFPFQMCESR-CQSZACIVSA-N	0	3	301.419	2.905	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000355681657	427846626	/nfs/dbraw/zinc/84/66/26/427846626.db2.gz	ZBEMYNBHKUIERC-QGZVFWFLSA-N	0	3	301.434	2.874	20	30		DFEDHN
CC(C)CN(CCN1CCO[C@H](C)C1)Cc1ccc(C#N)cc1	ZINC000337343857	427854531	/nfs/dbraw/zinc/85/45/31/427854531.db2.gz	YGGOYKGNZXGNDB-QGZVFWFLSA-N	0	3	315.461	2.737	20	30		DFEDHN
CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H]1c1ccccc1	ZINC000302716875	427856679	/nfs/dbraw/zinc/85/66/79/427856679.db2.gz	JWKABXRSLMOVPE-SUMWQHHRSA-N	0	3	323.356	2.719	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC)c(Cl)c2)CC1	ZINC000340000375	427900185	/nfs/dbraw/zinc/90/01/85/427900185.db2.gz	WWDNGEXIEMXZQS-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
CN(C)C1CN(c2c(Br)cc(Cl)cc2C#N)C1	ZINC000340013163	427901226	/nfs/dbraw/zinc/90/12/26/427901226.db2.gz	IXHOKBRNNLXOOL-UHFFFAOYSA-N	0	3	314.614	2.724	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCCN(CC)CC1	ZINC000350742687	427968507	/nfs/dbraw/zinc/96/85/07/427968507.db2.gz	YLTLRBFJKKKDCO-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000350785866	427970429	/nfs/dbraw/zinc/97/04/29/427970429.db2.gz	XTBQTWWBCGXDJL-IUODEOHRSA-N	0	3	322.343	2.652	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2COc3ccc(Cl)cc32)CC1	ZINC000369501597	427983744	/nfs/dbraw/zinc/98/37/44/427983744.db2.gz	SXXHLJCAQFAKIN-HNNXBMFYSA-N	0	3	320.820	2.583	20	30		DFEDHN
CS[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1N(C)C	ZINC000340736226	427935960	/nfs/dbraw/zinc/93/59/60/427935960.db2.gz	GBKMTDCCLFTCDQ-HOTGVXAUSA-N	0	3	312.442	2.588	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1	ZINC000350216013	427936759	/nfs/dbraw/zinc/93/67/59/427936759.db2.gz	FSYYOMBBKOYCML-QWRGUYRKSA-N	0	3	315.822	2.507	20	30		DFEDHN
N#C[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@H]1c1ccccc1	ZINC000355896350	427939289	/nfs/dbraw/zinc/93/92/89/427939289.db2.gz	YDKPXKYHQUGHJH-HKUYNNGSSA-N	0	3	323.440	2.627	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@H](C)[C@](C)(C(=O)OC)C1	ZINC000337527982	427945472	/nfs/dbraw/zinc/94/54/72/427945472.db2.gz	HLHSBFDAERAXBI-KBXCAEBGSA-N	0	3	303.402	2.882	20	30		DFEDHN
COc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000341222879	428020870	/nfs/dbraw/zinc/02/08/70/428020870.db2.gz	SZUMEYKYPDXSGB-DEYYWGMASA-N	0	3	317.433	2.789	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000356115406	428027373	/nfs/dbraw/zinc/02/73/73/428027373.db2.gz	IWTLMAOIWPBNBX-AEFFLSMTSA-N	0	3	313.445	2.874	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376951219	428029986	/nfs/dbraw/zinc/02/99/86/428029986.db2.gz	USSNZQNLTUJYTJ-QZTJIDSGSA-N	0	3	323.440	2.675	20	30		DFEDHN
Cc1c([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cnn1C	ZINC000341286915	428034672	/nfs/dbraw/zinc/03/46/72/428034672.db2.gz	YINPTYZYMVWNOO-BBRMVZONSA-N	0	3	310.401	2.678	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H]1c1ccccc1	ZINC000369703874	428039547	/nfs/dbraw/zinc/03/95/47/428039547.db2.gz	NQOKZRWUOHTHLW-DLBZAZTESA-N	0	3	310.353	2.540	20	30		DFEDHN
N#Cc1cccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)c1	ZINC000377055874	428047502	/nfs/dbraw/zinc/04/75/02/428047502.db2.gz	IFOUXYXLHAQXHX-SFHVURJKSA-N	0	3	311.429	2.972	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C2(C#N)CCCC2)[C@@H]1c1cccs1	ZINC000369571691	428004536	/nfs/dbraw/zinc/00/45/36/428004536.db2.gz	YCLXRSKCANWQLY-UKRRQHHQSA-N	0	3	317.458	2.941	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000413278346	428008916	/nfs/dbraw/zinc/00/89/16/428008916.db2.gz	FJMOPBUTDDHDDV-SJORKVTESA-N	0	3	313.445	2.710	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000341190861	428009111	/nfs/dbraw/zinc/00/91/11/428009111.db2.gz	FLWKYBZXSUAQTQ-KBPBESRZSA-N	0	3	307.463	2.928	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1	ZINC000369590889	428009854	/nfs/dbraw/zinc/00/98/54/428009854.db2.gz	HSEMTXIUOMZPJJ-JKSUJKDBSA-N	0	3	316.470	2.764	20	30		DFEDHN
Cc1cc(N2C[C@H](N3CCCC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413282936	428011425	/nfs/dbraw/zinc/01/14/25/428011425.db2.gz	RBNYAAWQNQAHLI-DZGCQCFKSA-N	0	3	314.389	2.838	20	30		DFEDHN
CN(C)CCOC1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000356227760	428076496	/nfs/dbraw/zinc/07/64/96/428076496.db2.gz	RMBQLAIELRDGTD-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1	ZINC000359920378	428077672	/nfs/dbraw/zinc/07/76/72/428077672.db2.gz	ZCQDQNIITNFCPQ-GFCCVEGCSA-N	0	3	316.704	2.889	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCc2c(Br)cccc21	ZINC000341504903	428086148	/nfs/dbraw/zinc/08/61/48/428086148.db2.gz	YMSPKJRMEGSNKL-AWEZNQCLSA-N	0	3	323.234	2.718	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000341515078	428086962	/nfs/dbraw/zinc/08/69/62/428086962.db2.gz	TUQXFKNGAMWLII-GFCCVEGCSA-N	0	3	303.324	2.953	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000369947146	428094456	/nfs/dbraw/zinc/09/44/56/428094456.db2.gz	VSQBEMMXAUEFMI-DOTOQJQBSA-N	0	3	301.434	2.724	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1	ZINC000377306292	428102279	/nfs/dbraw/zinc/10/22/79/428102279.db2.gz	GITRPKVSRLNQBX-RTBURBONSA-N	0	3	308.429	2.604	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCN(c2ncccc2C#N)CC1	ZINC000370002887	428105418	/nfs/dbraw/zinc/10/54/18/428105418.db2.gz	UMDCRDVVAHKOKG-UHFFFAOYSA-N	0	3	311.433	2.795	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000369815332	428067507	/nfs/dbraw/zinc/06/75/07/428067507.db2.gz	YPBBIECKTYDRAM-LZWOXQAQSA-N	0	3	319.474	2.842	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(CC)CC1	ZINC000413832259	428146713	/nfs/dbraw/zinc/14/67/13/428146713.db2.gz	IWNMULOMLFTVOQ-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
CC[C@H](C(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1)N(CC)CC	ZINC000346397376	428155588	/nfs/dbraw/zinc/15/55/88/428155588.db2.gz	YCGAMTZVOUGQQJ-OKZBNKHCSA-N	0	3	313.445	2.873	20	30		DFEDHN
CC1(C#N)CCN(C/C=C\CN2CCC(C)(C#N)CC2)CC1	ZINC000356448414	428182951	/nfs/dbraw/zinc/18/29/51/428182951.db2.gz	SOGKVGZYPMNUKR-ARJAWSKDSA-N	0	3	300.450	2.794	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1OC	ZINC000413941854	428170376	/nfs/dbraw/zinc/17/03/76/428170376.db2.gz	VSSJYFNWOFDXBQ-KRWDZBQOSA-N	0	3	319.405	2.514	20	30		DFEDHN
C#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000370426014	428207719	/nfs/dbraw/zinc/20/77/19/428207719.db2.gz	VULUYCABYDANIF-QZTJIDSGSA-N	0	3	313.445	2.707	20	30		DFEDHN
C#C[C@H](C)NC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000370437136	428210743	/nfs/dbraw/zinc/21/07/43/428210743.db2.gz	SNIFDVIRTIHLFD-BJJXKVORSA-N	0	3	319.836	2.654	20	30		DFEDHN
Cc1cnn([C@H]2CCN(CCCOc3ccc(C#N)cc3)C2)c1	ZINC000377769095	428223603	/nfs/dbraw/zinc/22/36/03/428223603.db2.gz	BBMYOYSUZHFFOZ-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@H](c1cccs1)C1CC1)C1CC1	ZINC000341844648	428227715	/nfs/dbraw/zinc/22/77/15/428227715.db2.gz	PDYCQIRLKWZKQR-HOTGVXAUSA-N	0	3	303.431	2.597	20	30		DFEDHN
CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCN(C2CC2)C1	ZINC000360278089	428233275	/nfs/dbraw/zinc/23/32/75/428233275.db2.gz	GXNZXEBBMHGAPJ-GFCCVEGCSA-N	0	3	310.323	2.645	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NC1CCN(CCOC(C)C)CC1	ZINC000341965879	428265381	/nfs/dbraw/zinc/26/53/81/428265381.db2.gz	XJELKXDFTITPPN-HNNXBMFYSA-N	0	3	311.470	2.530	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCCC[C@@H]1CCO	ZINC000342033235	428281297	/nfs/dbraw/zinc/28/12/97/428281297.db2.gz	NREWGVCMRODONX-MRXNPFEDSA-N	0	3	318.417	2.573	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3c[nH]cn3)CC2)c1	ZINC000370560224	428241704	/nfs/dbraw/zinc/24/17/04/428241704.db2.gz	XRNPWPMXIZDFGD-UHFFFAOYSA-N	0	3	310.401	2.930	20	30		DFEDHN
C=CCOc1cccnc1C(=O)N(C)C1CCN(C(C)C)CC1	ZINC000341909114	428245877	/nfs/dbraw/zinc/24/58/77/428245877.db2.gz	SOLFVPYIDWZSCS-UHFFFAOYSA-N	0	3	317.433	2.591	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cccc(C#N)c3F)C[C@@H]1CCCC2	ZINC000342124486	428310097	/nfs/dbraw/zinc/31/00/97/428310097.db2.gz	PAJKBAZXWVQVLT-YJBOKZPZSA-N	0	3	316.376	2.863	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cc(C#N)ccc3F)C[C@H]1CCCC2	ZINC000342157702	428328070	/nfs/dbraw/zinc/32/80/70/428328070.db2.gz	QSHSPDFCUJDROU-QAPCUYQASA-N	0	3	316.376	2.863	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccn2ccnc2c1	ZINC000346830168	428336867	/nfs/dbraw/zinc/33/68/67/428336867.db2.gz	PPRWDVHTLYPEEW-KRWDZBQOSA-N	0	3	318.380	2.723	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(C#N)cc3F)C[C@H]1CCCC2	ZINC000342181912	428337060	/nfs/dbraw/zinc/33/70/60/428337060.db2.gz	WCSACTIRXDABBL-QAPCUYQASA-N	0	3	316.376	2.863	20	30		DFEDHN
CC#CCCCC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000342309625	428396613	/nfs/dbraw/zinc/39/66/13/428396613.db2.gz	ZECDLCIIVGMSIC-UHFFFAOYSA-N	0	3	302.422	2.590	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000356911009	428359588	/nfs/dbraw/zinc/35/95/88/428359588.db2.gz	YZDFQQFHXSXXSG-MWLCHTKSSA-N	0	3	312.200	2.848	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000357038356	428370643	/nfs/dbraw/zinc/37/06/43/428370643.db2.gz	MXJJKGLKESYDKI-QGZVFWFLSA-N	0	3	315.413	2.874	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(CC#N)cc2)C1	ZINC000371167886	428373866	/nfs/dbraw/zinc/37/38/66/428373866.db2.gz	YIMYTZZIVXCEDQ-SFHVURJKSA-N	0	3	319.408	2.886	20	30		DFEDHN
C=CCn1cccc1-c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000346937289	428378337	/nfs/dbraw/zinc/37/83/37/428378337.db2.gz	LJNQAENNNMCBOC-BETUJISGSA-N	0	3	311.389	2.580	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)Cc1cccc(OC)c1OC	ZINC000346960287	428385471	/nfs/dbraw/zinc/38/54/71/428385471.db2.gz	GVEIIKLZSYAJTC-UHFFFAOYSA-N	0	3	320.433	2.560	20	30		DFEDHN
COc1ccc2[nH]cc(C3=CCN(C(=O)C(C)C#N)CC3)c2c1	ZINC000347074489	428435210	/nfs/dbraw/zinc/43/52/10/428435210.db2.gz	RITLXCDKQXNWKQ-LBPRGKRZSA-N	0	3	309.369	2.952	20	30		DFEDHN
C[C@H]1CC[C@@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1	ZINC000378623462	428439878	/nfs/dbraw/zinc/43/98/78/428439878.db2.gz	MPKXJFCYJICGBU-HNAYVOBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000342712511	428441721	/nfs/dbraw/zinc/44/17/21/428441721.db2.gz	SHBWLYXHPFSLOD-GOSISDBHSA-N	0	3	313.445	2.881	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1	ZINC000347092546	428442505	/nfs/dbraw/zinc/44/25/05/428442505.db2.gz	ACMNMPIHTAQMAU-XJKSGUPXSA-N	0	3	319.836	2.970	20	30		DFEDHN
CN(C)CCN(C)c1c(Br)cc(Cl)cc1C#N	ZINC000342789202	428456016	/nfs/dbraw/zinc/45/60/16/428456016.db2.gz	OWLNXXMWCUPTJA-UHFFFAOYSA-N	0	3	316.630	2.972	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000360850049	428463787	/nfs/dbraw/zinc/46/37/87/428463787.db2.gz	NOSTVDMIVYEHEC-IRXDYDNUSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000342828859	428464015	/nfs/dbraw/zinc/46/40/15/428464015.db2.gz	BSFYIDUEWJNHCL-QGZVFWFLSA-N	0	3	308.466	2.836	20	30		DFEDHN
C=C(C)CS(=O)(=O)NCc1ccccc1CN1CCCCC1	ZINC000357160243	428414960	/nfs/dbraw/zinc/41/49/60/428414960.db2.gz	OQKFSEUYCYYDKB-UHFFFAOYSA-N	0	3	322.474	2.668	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)C(=O)CC(C)(C)C#N)c1	ZINC000357164861	428416938	/nfs/dbraw/zinc/41/69/38/428416938.db2.gz	NSUZUZJXBAYGKL-UHFFFAOYSA-N	0	3	317.433	2.525	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1	ZINC000347037615	428417570	/nfs/dbraw/zinc/41/75/70/428417570.db2.gz	NMSFSHJOAYKDCQ-MFKMUULPSA-N	0	3	323.190	2.509	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN(C)CCC	ZINC000342507711	428431276	/nfs/dbraw/zinc/43/12/76/428431276.db2.gz	ZRLIIFAWIDFNIM-UHFFFAOYSA-N	0	3	306.454	2.711	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000347241115	428508206	/nfs/dbraw/zinc/50/82/06/428508206.db2.gz	UIXKTDKSSSPGPQ-UHFFFAOYSA-N	0	3	322.340	2.506	20	30		DFEDHN
Cc1c([C@@H]2CCCN2CCOc2ccccc2C#N)cnn1C	ZINC000361070109	428531709	/nfs/dbraw/zinc/53/17/09/428531709.db2.gz	MUBJOIOQJIJUGW-KRWDZBQOSA-N	0	3	310.401	2.816	20	30		DFEDHN
C#CCCCCC(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000373137856	428518618	/nfs/dbraw/zinc/51/86/18/428518618.db2.gz	IPAVDVZYAYSPRD-UHFFFAOYSA-N	0	3	313.445	2.950	20	30		DFEDHN
CC(C)Cn1ccnc1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21	ZINC000373185283	428520059	/nfs/dbraw/zinc/52/00/59/428520059.db2.gz	IAKDXUJNLUDIPW-NXOAAHMSSA-N	0	3	316.449	2.869	20	30		DFEDHN
CC(C)C[C@H](CNCc1ccc(C#N)cc1F)N1CCOCC1	ZINC000342848705	428472232	/nfs/dbraw/zinc/47/22/32/428472232.db2.gz	JNVAWSRMNKAZRV-QGZVFWFLSA-N	0	3	319.424	2.534	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353536904	428583557	/nfs/dbraw/zinc/58/35/57/428583557.db2.gz	CRIYJJSCMIIBKH-OAHLLOKOSA-N	0	3	318.396	2.939	20	30		DFEDHN
CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1	ZINC000373481504	428588296	/nfs/dbraw/zinc/58/82/96/428588296.db2.gz	FAQZNEWHOYTQIK-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
N#CC[C@H](CC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1	ZINC000373483169	428588448	/nfs/dbraw/zinc/58/84/48/428588448.db2.gz	IQUYAYWJIUJSOR-MSOLQXFVSA-N	0	3	311.429	2.771	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1	ZINC000353547902	428588637	/nfs/dbraw/zinc/58/86/37/428588637.db2.gz	FOVTZNRSZGYCNW-XZJROXQQSA-N	0	3	324.371	2.545	20	30		DFEDHN
CC(C)n1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000361673648	428589248	/nfs/dbraw/zinc/58/92/48/428589248.db2.gz	YLZRJHVOCZVHQT-LBPRGKRZSA-N	0	3	307.357	2.841	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](O)C2(C)C)ccc1OC	ZINC000361083001	428536632	/nfs/dbraw/zinc/53/66/32/428536632.db2.gz	PGSGKYXEBUZARW-QGZVFWFLSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC([C@H](C)NC(C)=O)CC1	ZINC000361150737	428540667	/nfs/dbraw/zinc/54/06/67/428540667.db2.gz	BHMMKBGDNZILFE-HNNXBMFYSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCc1cc(C)cc(OC)c1OC[C@H](O)CN(C)C1CC1	ZINC000357455231	428540992	/nfs/dbraw/zinc/54/09/92/428540992.db2.gz	PQJMDOHPZIECML-MRXNPFEDSA-N	0	3	305.418	2.566	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCOCC1)C(C)C	ZINC000373313430	428544261	/nfs/dbraw/zinc/54/42/61/428544261.db2.gz	LMBNWNADHBZCQV-DLBZAZTESA-N	0	3	308.466	2.618	20	30		DFEDHN
C=CCC[C@@H](NC[C@H](C)N1CCN(CC)CC1)c1ccco1	ZINC000353466338	428551040	/nfs/dbraw/zinc/55/10/40/428551040.db2.gz	YOQXALNFTWWJIF-DLBZAZTESA-N	0	3	305.466	2.903	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000373341386	428552229	/nfs/dbraw/zinc/55/22/29/428552229.db2.gz	XKFRQFMQPKUXCD-ZFWWWQNUSA-N	0	3	304.459	2.907	20	30		DFEDHN
C=CCN(Cc1ccn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000353495252	428563955	/nfs/dbraw/zinc/56/39/55/428563955.db2.gz	HRLNQRHPSSRUHT-OAHLLOKOSA-N	0	3	322.416	2.750	20	30		DFEDHN
CN(CCCN(C)c1c(C#N)cccc1C#N)Cc1ccco1	ZINC000343804820	428572131	/nfs/dbraw/zinc/57/21/31/428572131.db2.gz	HRLBMEDVYFNOCP-UHFFFAOYSA-N	0	3	308.385	2.981	20	30		DFEDHN
N#CC(C(=O)c1ccc2nncn2c1)c1nccc2ccccc21	ZINC000361528556	428572751	/nfs/dbraw/zinc/57/27/51/428572751.db2.gz	AIWIZJZARUPEFS-HNNXBMFYSA-N	0	3	313.320	2.768	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC[C@H](C)C1	ZINC000353519732	428574095	/nfs/dbraw/zinc/57/40/95/428574095.db2.gz	GJJUCGAKXFZHPB-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
N#Cc1ccc(CNC2CC(O)(Cc3cccc(F)c3)C2)cc1	ZINC000373522574	428597350	/nfs/dbraw/zinc/59/73/50/428597350.db2.gz	SCCIUUOTBQUROP-UHFFFAOYSA-N	0	3	310.372	2.923	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1	ZINC000408090544	428600841	/nfs/dbraw/zinc/60/08/41/428600841.db2.gz	RWBPGLNUPVVEPY-UXLLHSPISA-N	0	3	305.466	2.941	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2OC(F)F)C(C)(C)C1	ZINC000347576980	428608561	/nfs/dbraw/zinc/60/85/61/428608561.db2.gz	ZFAWSYDHJIWATI-UHFFFAOYSA-N	0	3	309.360	2.686	20	30		DFEDHN
C[C@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000347587074	428613871	/nfs/dbraw/zinc/61/38/71/428613871.db2.gz	VVCZPDSOENXJMB-HOTGVXAUSA-N	0	3	318.465	2.789	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2ccnn2C)C1	ZINC000362085005	428615773	/nfs/dbraw/zinc/61/57/73/428615773.db2.gz	FIOWSHKSCCGHEK-INIZCTEOSA-N	0	3	309.413	2.812	20	30		DFEDHN
CCc1nc(C2CCN(Cc3cccc(C#N)c3F)CC2)n[nH]1	ZINC000362080829	428616751	/nfs/dbraw/zinc/61/67/51/428616751.db2.gz	YTTDRPLFCQNKDK-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3cccc(C#N)c3F)CC2)n1	ZINC000362080829	428616756	/nfs/dbraw/zinc/61/67/56/428616756.db2.gz	YTTDRPLFCQNKDK-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3cccc(C#N)c3F)CC2)[nH]1	ZINC000362080829	428616759	/nfs/dbraw/zinc/61/67/59/428616759.db2.gz	YTTDRPLFCQNKDK-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
C=CCOc1ccc(CNC2(CC(=O)OC)CCC2)cc1OC	ZINC000347642968	428620735	/nfs/dbraw/zinc/62/07/35/428620735.db2.gz	DAZHZDLPBGUUCA-UHFFFAOYSA-N	0	3	319.401	2.835	20	30		DFEDHN
COC(=O)C(C)(C)CCN(C)CCOCc1ccc(C#N)cc1	ZINC000344101481	428624660	/nfs/dbraw/zinc/62/46/60/428624660.db2.gz	DXENGOVPHIBZAP-UHFFFAOYSA-N	0	3	318.417	2.596	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000347974475	428631580	/nfs/dbraw/zinc/63/15/80/428631580.db2.gz	SYEFVOXPVDDSPM-UHFFFAOYSA-N	0	3	320.408	2.566	20	30		DFEDHN
C=CCOCCCN(C)Cc1ccccc1N1CCOCC1	ZINC000347965859	428632619	/nfs/dbraw/zinc/63/26/19/428632619.db2.gz	FKGCZNVHMDGGLD-UHFFFAOYSA-N	0	3	304.434	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc([C@H](C)OCC)s2)CC1	ZINC000361773935	428595490	/nfs/dbraw/zinc/59/54/90/428595490.db2.gz	VJAUTABIZNFVKO-LBPRGKRZSA-N	0	3	323.462	2.621	20	30		DFEDHN
COCCCN1CCCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000364299322	274020838	/nfs/dbraw/zinc/02/08/38/274020838.db2.gz	FWAAYOYZPNCZLF-UHFFFAOYSA-N	0	3	324.428	2.655	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1	ZINC000348137007	428640863	/nfs/dbraw/zinc/64/08/63/428640863.db2.gz	PNEMQMLMRMPBNZ-YPMHNXCESA-N	0	3	321.808	2.555	20	30		DFEDHN
Clc1cccc(C#CCN2CCN([C@H]3CCSC3)CC2)c1	ZINC000362157441	428641386	/nfs/dbraw/zinc/64/13/86/428641386.db2.gz	BAJXESPRYAOQSQ-KRWDZBQOSA-N	0	3	320.889	2.815	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](CC(C)C)C1=O)C(C)C	ZINC000348138699	428641746	/nfs/dbraw/zinc/64/17/46/428641746.db2.gz	AXZMEZWRGRQKSJ-JKSUJKDBSA-N	0	3	321.465	2.652	20	30		DFEDHN
COc1cc(Br)ccc1[C@H](C)NC(=O)C(C)C#N	ZINC000348143156	428641911	/nfs/dbraw/zinc/64/19/11/428641911.db2.gz	LAXGCPDYQKJPOS-BDAKNGLRSA-N	0	3	311.179	2.795	20	30		DFEDHN
C=CCOCCCN1Cc2ccccc2[C@@H](C(=O)OCC)C1	ZINC000348039294	428635504	/nfs/dbraw/zinc/63/55/04/428635504.db2.gz	UJMJSAKAHDXNTC-KRWDZBQOSA-N	0	3	303.402	2.742	20	30		DFEDHN
C=CCOCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000348055111	428635972	/nfs/dbraw/zinc/63/59/72/428635972.db2.gz	NBDAHGCRLCDXNO-MRXNPFEDSA-N	0	3	321.396	2.614	20	30		DFEDHN
Cc1ncsc1CN1C[C@H](F)C[C@H]1CN(C)CCCC#N	ZINC000348183201	428644464	/nfs/dbraw/zinc/64/44/64/428644464.db2.gz	SUIFMJMXNZKDTD-KGLIPLIRSA-N	0	3	310.442	2.600	20	30		DFEDHN
C[S@@](=O)C1(CNC2CC(C#N)(c3ccccc3)C2)CCC1	ZINC000373899913	428655574	/nfs/dbraw/zinc/65/55/74/428655574.db2.gz	MNNKHPFRINWMOA-CPAJTMIGSA-N	0	3	302.443	2.501	20	30		DFEDHN
Cn1cc([C@@H]2CCCN2CCCC2(C#N)CCOCC2)cn1	ZINC000374163746	428667671	/nfs/dbraw/zinc/66/76/71/428667671.db2.gz	UOIZCDITYCARMG-INIZCTEOSA-N	0	3	302.422	2.658	20	30		DFEDHN
Cc1csc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000348212425	428661047	/nfs/dbraw/zinc/66/10/47/428661047.db2.gz	WNBAAZMRCASOFL-IUODEOHRSA-N	0	3	324.409	2.883	20	30		DFEDHN
Cc1csc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000348212427	428661079	/nfs/dbraw/zinc/66/10/79/428661079.db2.gz	WNBAAZMRCASOFL-WFASDCNBSA-N	0	3	324.409	2.883	20	30		DFEDHN
O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1	ZINC000374072497	428662337	/nfs/dbraw/zinc/66/23/37/428662337.db2.gz	QKYIISRKTMGEQN-FGTMMUONSA-N	0	3	319.832	2.553	20	30		DFEDHN
C[C@@H]1[C@H](N[C@H]2CCC[C@H](C#N)C2)CC(=O)N1Cc1ccccc1	ZINC000374230352	428670011	/nfs/dbraw/zinc/67/00/11/428670011.db2.gz	MQJNDZYMLGUQCP-LAVFITLUSA-N	0	3	311.429	2.848	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000362372428	428724220	/nfs/dbraw/zinc/72/42/20/428724220.db2.gz	ZRZQRJHMTYZCDW-YOEHRIQHSA-N	0	3	319.449	2.952	20	30		DFEDHN
Cc1ccc(N2CCN(CCc3cccs3)CC2)nc1C#N	ZINC000344942295	428725039	/nfs/dbraw/zinc/72/50/39/428725039.db2.gz	LHLAXZOEUAKGCQ-UHFFFAOYSA-N	0	3	312.442	2.688	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000362380837	428726596	/nfs/dbraw/zinc/72/65/96/428726596.db2.gz	SVERTCBTGSNKSI-HOTGVXAUSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)CN1[C@H](C)CC[C@@H]1C	ZINC000344946596	428726753	/nfs/dbraw/zinc/72/67/53/428726753.db2.gz	XCYULGCJNAPGCD-IYBDPMFKSA-N	0	3	311.429	2.946	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccn(Cc3ccccc3)c2)CC1	ZINC000358989506	428760371	/nfs/dbraw/zinc/76/03/71/428760371.db2.gz	STTSMEMGYKLOPJ-UHFFFAOYSA-N	0	3	323.440	2.917	20	30		DFEDHN
Cc1cscc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348512001	428764270	/nfs/dbraw/zinc/76/42/70/428764270.db2.gz	SURNRDOCISJSKI-OAHLLOKOSA-N	0	3	309.394	2.927	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCC[C@@H]1OC(F)F	ZINC000348541696	428776649	/nfs/dbraw/zinc/77/66/49/428776649.db2.gz	XSXUICCZWPRRJQ-AVGNSLFASA-N	0	3	304.381	2.549	20	30		DFEDHN
CCN1CC[C@H](NC(=O)C(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000358967099	428751410	/nfs/dbraw/zinc/75/14/10/428751410.db2.gz	OYPLHXFSEPEZFG-ONERCXAPSA-N	0	3	323.799	2.890	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000363047427	428848245	/nfs/dbraw/zinc/84/82/45/428848245.db2.gz	SQDQVZFMSIVWEY-HUUCEWRRSA-N	0	3	319.474	2.671	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000411434491	428796416	/nfs/dbraw/zinc/79/64/16/428796416.db2.gz	VWCMBTPQAASRFG-JKSUJKDBSA-N	0	3	303.450	2.793	20	30		DFEDHN
CN1CCC(CC(=O)N[C@@H](C#N)c2ccccc2Cl)CC1	ZINC000362764193	428804820	/nfs/dbraw/zinc/80/48/20/428804820.db2.gz	ZUJBHMDIJIKBRN-HNNXBMFYSA-N	0	3	305.809	2.753	20	30		DFEDHN
C=CCN(C(=O)[C@@H]1CN(C)C[C@H]1C)c1nc2c(s1)CCCC2	ZINC000362855213	428809190	/nfs/dbraw/zinc/80/91/90/428809190.db2.gz	LQIYRUPCMKQTIZ-CHWSQXEVSA-N	0	3	319.474	2.739	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000362932531	428812629	/nfs/dbraw/zinc/81/26/29/428812629.db2.gz	PMHVLISZQNXDKE-AWEZNQCLSA-N	0	3	322.412	2.842	20	30		DFEDHN
CCCN(CCc1cccs1)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000411556090	428815985	/nfs/dbraw/zinc/81/59/85/428815985.db2.gz	STDAKGJVVLCHAZ-AWEZNQCLSA-N	0	3	319.474	2.954	20	30		DFEDHN
CCN1CCN(c2ccccc2CN(C)CC(C)(C)C#N)CC1	ZINC000354010589	428821442	/nfs/dbraw/zinc/82/14/42/428821442.db2.gz	OJRAGUBXTFWHNV-UHFFFAOYSA-N	0	3	314.477	2.810	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N(C)[C@H](C)c1ccccc1	ZINC000411644618	428831040	/nfs/dbraw/zinc/83/10/40/428831040.db2.gz	RFTNJYRBQLSVQT-QGZVFWFLSA-N	0	3	317.477	2.646	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccco3)C2)CC1	ZINC000362989463	428834125	/nfs/dbraw/zinc/83/41/25/428834125.db2.gz	LJWDMNGKERODCQ-HNNXBMFYSA-N	0	3	317.433	2.819	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])cc1OC	ZINC000411649298	428834436	/nfs/dbraw/zinc/83/44/36/428834436.db2.gz	RHPXEOYQASWHSG-UHFFFAOYSA-N	0	3	307.394	2.543	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccccc1	ZINC000375261645	428837321	/nfs/dbraw/zinc/83/73/21/428837321.db2.gz	FAOWJNZTEKESQH-CRAIPNDOSA-N	0	3	322.412	2.699	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000411889574	428878840	/nfs/dbraw/zinc/87/88/40/428878840.db2.gz	CTMMPZCJTIQSOC-MJGOQNOKSA-N	0	3	308.381	2.969	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)NCC2(CC#N)CC2)cc1	ZINC000418118662	428883046	/nfs/dbraw/zinc/88/30/46/428883046.db2.gz	FHDOPHZUQAJIGB-INIZCTEOSA-N	0	3	314.433	2.803	20	30		DFEDHN
N#Cc1ccccc1OCCN1C[C@H](O)C[C@@H]1c1ccccc1	ZINC000411957275	428891758	/nfs/dbraw/zinc/89/17/58/428891758.db2.gz	WPXLUOIZASYMAD-QZTJIDSGSA-N	0	3	308.381	2.745	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccccc2OC)C1	ZINC000363383689	428911655	/nfs/dbraw/zinc/91/16/55/428911655.db2.gz	YZLCIUDTMHTCAI-CVEARBPZSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1	ZINC000412042527	428920561	/nfs/dbraw/zinc/92/05/61/428920561.db2.gz	OPCISCMFFOFZLY-MSOLQXFVSA-N	0	3	314.429	2.531	20	30		DFEDHN
CCCC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)C(=O)Nc1cc(C)on1	ZINC000419259064	428929748	/nfs/dbraw/zinc/92/97/48/428929748.db2.gz	KPYROYMCZGOQQZ-SOUVJXGZSA-N	0	3	318.421	3.152	20	30		DFEDHN
C=C(CN[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1	ZINC000359367661	428942358	/nfs/dbraw/zinc/94/23/58/428942358.db2.gz	CEIXDMYUBQHEDI-AWEZNQCLSA-N	0	3	316.426	2.698	20	30		DFEDHN
CCn1cc(CCN2CCCN(c3ccc(C#N)cc3)CC2)cn1	ZINC000375696261	428945361	/nfs/dbraw/zinc/94/53/61/428945361.db2.gz	FTQYBWSAGYXLDE-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C1(C)C	ZINC000412086521	428945693	/nfs/dbraw/zinc/94/56/93/428945693.db2.gz	WBJQTCWCGIPACG-LSDHHAIUSA-N	0	3	308.466	2.759	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1ccc(C#N)cc1F	ZINC000363587278	428948063	/nfs/dbraw/zinc/94/80/63/428948063.db2.gz	MNTYZBZKYCFBGB-UNEWFSDZSA-N	0	3	317.408	2.999	20	30		DFEDHN
COC(=O)[C@H]1CSCCN(CCC2(C#N)CCCCC2)C1	ZINC000412088611	428949272	/nfs/dbraw/zinc/94/92/72/428949272.db2.gz	WXKDOWUGEJLZEQ-CQSZACIVSA-N	0	3	310.463	2.689	20	30		DFEDHN
C=CCCCCNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000354277655	428950337	/nfs/dbraw/zinc/95/03/37/428950337.db2.gz	ONSAYIKCMYJOPA-UHFFFAOYSA-N	0	3	315.461	2.671	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000375715530	428951935	/nfs/dbraw/zinc/95/19/35/428951935.db2.gz	DGOOLIMZWXNQCZ-PKOBYXMFSA-N	0	3	313.445	2.955	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C#N)o1)N(C)C	ZINC000349259345	428952460	/nfs/dbraw/zinc/95/24/60/428952460.db2.gz	DVAPNEGLXALWGJ-CXAGYDPISA-N	0	3	311.385	2.881	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000420819255	428962989	/nfs/dbraw/zinc/96/29/89/428962989.db2.gz	OBMBFAYRWSBCDP-SJORKVTESA-N	0	3	314.433	2.767	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(OC(C)C)c2)nc(C)n1	ZINC000354938356	429019715	/nfs/dbraw/zinc/01/97/15/429019715.db2.gz	BTMCGKFNFSYTIA-OAHLLOKOSA-N	0	3	310.357	2.766	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CC1(F)F)C(C)C	ZINC000421767858	429031373	/nfs/dbraw/zinc/03/13/73/429031373.db2.gz	BYTYXZJVCVBAQT-DZGCQCFKSA-N	0	3	300.393	2.847	20	30		DFEDHN
CN1CCC[C@H](CNc2ccncc2C#N)[C@@H]1c1cccs1	ZINC000363738944	428983266	/nfs/dbraw/zinc/98/32/66/428983266.db2.gz	KBVAKCFQDMESMZ-CXAGYDPISA-N	0	3	312.442	2.932	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccncn1	ZINC000354461946	428989319	/nfs/dbraw/zinc/98/93/19/428989319.db2.gz	GUKUWBMJLWADOZ-LBPRGKRZSA-N	0	3	321.258	2.908	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1OC	ZINC000421361425	428990130	/nfs/dbraw/zinc/99/01/30/428990130.db2.gz	KXOKKHOWKIJNLA-ZBFHGGJFSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1ccncn1	ZINC000354472807	428991117	/nfs/dbraw/zinc/99/11/17/428991117.db2.gz	VGFPLBMBRPSOHA-GFCCVEGCSA-N	0	3	321.258	2.908	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)CC[C@@H]2C)ccc1OC	ZINC000421383551	428991951	/nfs/dbraw/zinc/99/19/51/428991951.db2.gz	ZHFQELYHQZJZBW-GOEBONIOSA-N	0	3	305.418	2.995	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@H]1C[C@@H](OC)C12CCC2	ZINC000451856710	428998893	/nfs/dbraw/zinc/99/88/93/428998893.db2.gz	TYPKXPSTVZMUGM-DLBZAZTESA-N	0	3	300.402	2.956	20	30		DFEDHN
COCCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCCSC1	ZINC000433182043	429006823	/nfs/dbraw/zinc/00/68/23/429006823.db2.gz	MVNDDEYPECHLHA-MRXNPFEDSA-N	0	3	320.458	2.911	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000412312250	429010581	/nfs/dbraw/zinc/01/05/81/429010581.db2.gz	HIOSRVBPFJPCAH-UHFFFAOYSA-N	0	3	301.434	2.622	20	30		DFEDHN
Cc1cc(Br)ccc1NC(=O)[C@@H](N)CCCC#N	ZINC000424080935	429089278	/nfs/dbraw/zinc/08/92/78/429089278.db2.gz	UKXYEAIBDPAJSS-NSHDSACASA-N	0	3	310.195	2.717	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1cc(Cl)cc(Cl)c1	ZINC000424102978	429090945	/nfs/dbraw/zinc/09/09/45/429090945.db2.gz	CMQIZCZQPIOZPB-CYBMUJFWSA-N	0	3	314.216	2.673	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1ccccc1OC1CCCC1	ZINC000424102916	429091081	/nfs/dbraw/zinc/09/10/81/429091081.db2.gz	RMUTWVCYBUESCP-INIZCTEOSA-N	0	3	315.417	2.645	20	30		DFEDHN
C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424123887	429095196	/nfs/dbraw/zinc/09/51/96/429095196.db2.gz	LBGFORRWVSZGTN-PKOBYXMFSA-N	0	3	313.445	2.879	20	30		DFEDHN
Cc1coc(-c2ccc(C)c(NC(=O)[C@@H](N)CCCC#N)c2)n1	ZINC000424130152	429095752	/nfs/dbraw/zinc/09/57/52/429095752.db2.gz	ZEFRQBHVOARADS-AWEZNQCLSA-N	0	3	312.373	2.918	20	30		DFEDHN
COC1([C@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)CCOCC1	ZINC000421859520	429040550	/nfs/dbraw/zinc/04/05/50/429040550.db2.gz	FSKOLDKEPIMQSI-STQMWFEESA-N	0	3	306.381	2.932	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000452027785	429041958	/nfs/dbraw/zinc/04/19/58/429041958.db2.gz	XEBVRRSGOPVMGD-MSOLQXFVSA-N	0	3	320.477	2.835	20	30		DFEDHN
CCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424130393	429096537	/nfs/dbraw/zinc/09/65/37/429096537.db2.gz	ZFPXZSCRRHNTRB-HUUCEWRRSA-N	0	3	309.360	2.943	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1ccc(C#N)s1)N1CCCCC1	ZINC000421911098	429045791	/nfs/dbraw/zinc/04/57/91/429045791.db2.gz	GXVMPTIPTCSOEL-HNNXBMFYSA-N	0	3	305.447	2.746	20	30		DFEDHN
C=CCOc1cccc(CN(CCO)[C@@H]2CCCSC2)c1	ZINC000355479362	429048201	/nfs/dbraw/zinc/04/82/01/429048201.db2.gz	ADNZQWVHYGAVQZ-MRXNPFEDSA-N	0	3	307.459	2.941	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(Br)c1Cl	ZINC000412483880	429052090	/nfs/dbraw/zinc/05/20/90/429052090.db2.gz	CLBQXFQJALJIDP-ZETCQYMHSA-N	0	3	301.571	2.878	20	30		DFEDHN
C[C@@H](NCCCNCc1cccnc1)c1ccc(C#N)cc1F	ZINC000423189966	429054854	/nfs/dbraw/zinc/05/48/54/429054854.db2.gz	QKEAFOASYOQWQH-CQSZACIVSA-N	0	3	312.392	2.923	20	30		DFEDHN
Cc1cc(C#N)cc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)n1	ZINC000376172503	429070190	/nfs/dbraw/zinc/07/01/90/429070190.db2.gz	NACOWIZBPUZHNA-KBRIMQKVSA-N	0	3	314.433	2.563	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F	ZINC000424059020	429084200	/nfs/dbraw/zinc/08/42/00/429084200.db2.gz	FDVARRVBUSIDNC-VIFPVBQESA-N	0	3	301.268	2.545	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000424059776	429085512	/nfs/dbraw/zinc/08/55/12/429085512.db2.gz	BUKONSCSZZFGPT-NSHDSACASA-N	0	3	301.268	2.545	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1	ZINC000424066884	429085548	/nfs/dbraw/zinc/08/55/48/429085548.db2.gz	OFQURTIYFBGWDZ-CQSZACIVSA-N	0	3	314.414	2.694	20	30		DFEDHN
C=CC(C)(C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1	ZINC000453304140	429147686	/nfs/dbraw/zinc/14/76/86/429147686.db2.gz	DYYBTBHOUCEXRV-LBPRGKRZSA-N	0	3	311.447	2.962	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCCOc1ccc(C#N)cc1)CO2	ZINC000453157640	429148167	/nfs/dbraw/zinc/14/81/67/429148167.db2.gz	ZQNYBDRWDLKSAO-INIZCTEOSA-N	0	3	324.380	2.539	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCCN(C(C)C)CC1	ZINC000453458575	429150094	/nfs/dbraw/zinc/15/00/94/429150094.db2.gz	AQIQGUSYFKUZLY-UHFFFAOYSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453425693	429150156	/nfs/dbraw/zinc/15/01/56/429150156.db2.gz	OEBCHTVCNOJZQC-CABCVRRESA-N	0	3	305.470	2.897	20	30		DFEDHN
C[C@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(C#N)cc1	ZINC000363866211	429132374	/nfs/dbraw/zinc/13/23/74/429132374.db2.gz	ZIGOYOKXPSLBIH-KSSFIOAISA-N	0	3	320.396	2.519	20	30		DFEDHN
C=C(C)CCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000452737553	429136783	/nfs/dbraw/zinc/13/67/83/429136783.db2.gz	IMUOJPQPIUSICV-VXGBXAGGSA-N	0	3	306.372	2.978	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)C(C)C	ZINC000494672239	429140127	/nfs/dbraw/zinc/14/01/27/429140127.db2.gz	LIFOYVUPKIYQKB-YYIAUSFCSA-N	0	3	305.466	2.783	20	30		DFEDHN
C[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCC[C@@H]1C	ZINC000454253649	429162276	/nfs/dbraw/zinc/16/22/76/429162276.db2.gz	FEWDJTHBFIEXGV-FZKCQIBNSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=C(CC)CNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000454259365	429163279	/nfs/dbraw/zinc/16/32/79/429163279.db2.gz	GDWWNRXZKNMCSX-UHFFFAOYSA-N	0	3	315.461	2.959	20	30		DFEDHN
Cc1nc(N2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1C#N	ZINC000487749463	429167470	/nfs/dbraw/zinc/16/74/70/429167470.db2.gz	CKIXOCFWWIHSJY-SFHVURJKSA-N	0	3	306.413	2.625	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000454665227	429170587	/nfs/dbraw/zinc/17/05/87/429170587.db2.gz	JFHLAOKNHXGCBI-HOTGVXAUSA-N	0	3	301.434	2.724	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1CC	ZINC000487933615	429174805	/nfs/dbraw/zinc/17/48/05/429174805.db2.gz	VJDWFJZVCVMXIS-IBGZPJMESA-N	0	3	315.461	2.799	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000454956935	429176725	/nfs/dbraw/zinc/17/67/25/429176725.db2.gz	HUMNSONLCUROAE-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(F)(C#N)CC1	ZINC000455194596	429182261	/nfs/dbraw/zinc/18/22/61/429182261.db2.gz	ONJVIMHHEIEHKS-HNNXBMFYSA-N	0	3	324.444	2.534	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000488557607	429183602	/nfs/dbraw/zinc/18/36/02/429183602.db2.gz	LMLRUIRPDKMCIG-SFHVURJKSA-N	0	3	301.434	2.916	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCCN1CC(C)C	ZINC000436157634	429185155	/nfs/dbraw/zinc/18/51/55/429185155.db2.gz	RFCZIFQBHSFFKE-CQSZACIVSA-N	0	3	303.406	2.700	20	30		DFEDHN
N#Cc1cc(Cl)ccc1CN1CCC[C@H](c2nc[nH]n2)C1	ZINC000364338691	429185958	/nfs/dbraw/zinc/18/59/58/429185958.db2.gz	BMBPRQMMUBPZFC-LBPRGKRZSA-N	0	3	301.781	2.709	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H](C)C1	ZINC000488736420	429193369	/nfs/dbraw/zinc/19/33/69/429193369.db2.gz	PYZJKLYMMNHAFH-DEYYWGMASA-N	0	3	310.445	2.608	20	30		DFEDHN
COc1ccc(CNCCSCc2ccccc2C#N)cn1	ZINC000436271465	429193528	/nfs/dbraw/zinc/19/35/28/429193528.db2.gz	DJHAXPLGVXDSQC-UHFFFAOYSA-N	0	3	313.426	2.985	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1	ZINC000489121670	429218925	/nfs/dbraw/zinc/21/89/25/429218925.db2.gz	YRGRAPRTOIWUPW-GJZGRUSLSA-N	0	3	316.511	2.629	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1N(C)C	ZINC000439443227	429219099	/nfs/dbraw/zinc/21/90/99/429219099.db2.gz	AITXJPGCGJJFLO-LSDHHAIUSA-N	0	3	309.866	2.689	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(C#N)cc2F)C1	ZINC000495542097	429220810	/nfs/dbraw/zinc/22/08/10/429220810.db2.gz	QQDOQKAGFXYVBZ-IUODEOHRSA-N	0	3	319.380	2.654	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(C#N)cc2F)C1	ZINC000495542098	429221243	/nfs/dbraw/zinc/22/12/43/429221243.db2.gz	QQDOQKAGFXYVBZ-SWLSCSKDSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC[C@@H](C)C1	ZINC000455927420	429225557	/nfs/dbraw/zinc/22/55/57/429225557.db2.gz	ZZYBUNHNHROLPB-CABCVRRESA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CCN1C	ZINC000455924713	429225667	/nfs/dbraw/zinc/22/56/67/429225667.db2.gz	WMRYEOIJCKOQJR-CJNGLKHVSA-N	0	3	300.406	2.699	20	30		DFEDHN
COc1cc(CNCC[C@@H]2COc3ccccc3O2)ccc1C#N	ZINC000440632309	429226119	/nfs/dbraw/zinc/22/61/19/429226119.db2.gz	BULUQCUYXFRRMW-MRXNPFEDSA-N	0	3	324.380	2.887	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCOC2)C1	ZINC000441285028	429229087	/nfs/dbraw/zinc/22/90/87/429229087.db2.gz	LOAFPYBIRSGPKZ-ULQDDVLXSA-N	0	3	308.466	2.548	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(COCC(F)(F)F)c1	ZINC000441732967	429231170	/nfs/dbraw/zinc/23/11/70/429231170.db2.gz	WWMVGMPEWJVSBR-JTQLQIEISA-N	0	3	300.280	2.541	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@@H](CC)C1	ZINC000441624709	429231879	/nfs/dbraw/zinc/23/18/79/429231879.db2.gz	WZWJZQJHFBKSOI-IRXDYDNUSA-N	0	3	321.486	2.982	20	30		DFEDHN
C[C@H]1[C@H](CO)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000488765209	429196872	/nfs/dbraw/zinc/19/68/72/429196872.db2.gz	SNLWNTHEJDHHRW-JSGCOSHPSA-N	0	3	313.319	2.639	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000488772700	429199035	/nfs/dbraw/zinc/19/90/35/429199035.db2.gz	ZWSXHWDWAQSJAR-SUNYJGFJSA-N	0	3	311.429	2.927	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1	ZINC000442785935	429234185	/nfs/dbraw/zinc/23/41/85/429234185.db2.gz	APWOIVHMBZDCCB-KMFMINBZSA-N	0	3	313.401	2.586	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COCc1ccc(OC)cc1	ZINC000489439689	429242342	/nfs/dbraw/zinc/24/23/42/429242342.db2.gz	ZLXOQBRQONJUTK-DLBZAZTESA-N	0	3	305.418	2.613	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2cccnc2C#N)CC1	ZINC000425246679	429251447	/nfs/dbraw/zinc/25/14/47/429251447.db2.gz	YLCDAWLHHCBTLM-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cccc1[N+](=O)[O-]	ZINC000425255422	429252724	/nfs/dbraw/zinc/25/27/24/429252724.db2.gz	PNSUBOIKXDGSCH-JSGCOSHPSA-N	0	3	300.362	2.529	20	30		DFEDHN
Cc1cc(CNC[C@@H](O)COc2ccc(F)cc2)ccc1C#N	ZINC000443968547	429258870	/nfs/dbraw/zinc/25/88/70/429258870.db2.gz	FHZMCFZWKAJGGN-QGZVFWFLSA-N	0	3	314.360	2.535	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2ccc(CC#N)cc2)C1	ZINC000444839009	429277227	/nfs/dbraw/zinc/27/72/27/429277227.db2.gz	PARCZJJUGKPMQP-UHFFFAOYSA-N	0	3	314.433	2.996	20	30		DFEDHN
CNC(=O)COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1	ZINC000507272608	429347715	/nfs/dbraw/zinc/34/77/15/429347715.db2.gz	MHDMXYDTZKVDKC-CQSZACIVSA-N	0	3	323.396	2.534	20	30		DFEDHN
C#CC(C)(C)N(C)C[C@@H](O)COc1ccc(CC=C)cc1OC	ZINC000491209150	429334757	/nfs/dbraw/zinc/33/47/57/429334757.db2.gz	CGGWPJQTAVZHIG-MRXNPFEDSA-N	0	3	317.429	2.507	20	30		DFEDHN
CC#CCN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1	ZINC000365570258	429344440	/nfs/dbraw/zinc/34/44/40/429344440.db2.gz	MXBPAVZEGNNLFD-SFHVURJKSA-N	0	3	302.462	2.903	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000491307590	429346076	/nfs/dbraw/zinc/34/60/76/429346076.db2.gz	QXAQLIQTPKOABE-DOTOQJQBSA-N	0	3	301.434	2.733	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000491307593	429346227	/nfs/dbraw/zinc/34/62/27/429346227.db2.gz	QXAQLIQTPKOABE-WBVHZDCISA-N	0	3	301.434	2.733	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@H]1C	ZINC000445822319	429291147	/nfs/dbraw/zinc/29/11/47/429291147.db2.gz	QQWOHXGJJZNWON-NEPJUHHUSA-N	0	3	321.371	2.829	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)CC1	ZINC000425448905	429298930	/nfs/dbraw/zinc/29/89/30/429298930.db2.gz	IZPCCNIIMRUSGP-SJLPKXTDSA-N	0	3	317.408	2.573	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCCC[C@H]1O	ZINC000490707299	429301019	/nfs/dbraw/zinc/30/10/19/429301019.db2.gz	FMWXNPJMJNWRHR-GVDBMIGSSA-N	0	3	300.402	2.569	20	30		DFEDHN
CO[C@@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1	ZINC000425458135	429301104	/nfs/dbraw/zinc/30/11/04/429301104.db2.gz	LUTBTOZGRGZWLU-SFHVURJKSA-N	0	3	318.392	2.966	20	30		DFEDHN
C[C@@H]1CN(C)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000447044627	429301309	/nfs/dbraw/zinc/30/13/09/429301309.db2.gz	NHTAJZQXARWHSM-CYBMUJFWSA-N	0	3	312.335	2.573	20	30		DFEDHN
COCC[C@]1(NCc2cccc(OCCCC#N)c2)CCOC1	ZINC000447087164	429302472	/nfs/dbraw/zinc/30/24/72/429302472.db2.gz	OLPJULCNAHTXFS-SFHVURJKSA-N	0	3	318.417	2.654	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)NC1CC1)c1nc2c(s1)CCCC2	ZINC000449165509	429346753	/nfs/dbraw/zinc/34/67/53/429346753.db2.gz	WPKHAVRODUTKRJ-LLVKDONJSA-N	0	3	305.447	2.681	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000448393282	429312176	/nfs/dbraw/zinc/31/21/76/429312176.db2.gz	YLEIZUPRSCORIP-QGZVFWFLSA-N	0	3	316.449	2.511	20	30		DFEDHN
COCC(C)(C)N1CCN(CC#Cc2ccc(Cl)cc2)CC1	ZINC000425510823	429314310	/nfs/dbraw/zinc/31/43/10/429314310.db2.gz	WDIYIVYOCCZTQK-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000448693541	429316092	/nfs/dbraw/zinc/31/60/92/429316092.db2.gz	DQJZNQKBSAFLKR-PMPSAXMXSA-N	0	3	322.474	2.838	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc(C)c3ncccc3c2)CC1	ZINC000491724985	429397567	/nfs/dbraw/zinc/39/75/67/429397567.db2.gz	HAYXHCUWPPTJJW-UHFFFAOYSA-N	0	3	321.424	2.505	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000449172866	429348888	/nfs/dbraw/zinc/34/88/88/429348888.db2.gz	MTLAKBPIQGTGFU-HIFRSBDPSA-N	0	3	304.438	2.558	20	30		DFEDHN
CC(C)(C[C@H]1CCCN(Cc2cc(C#N)cs2)C1)C(N)=O	ZINC000449411310	429409563	/nfs/dbraw/zinc/40/95/63/429409563.db2.gz	HKKWDVRIKXKREN-GFCCVEGCSA-N	0	3	305.447	2.733	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000491350703	429350267	/nfs/dbraw/zinc/35/02/67/429350267.db2.gz	PMDQJEMYUFNYMW-UKRRQHHQSA-N	0	3	307.463	2.794	20	30		DFEDHN
Cn1ccnc1[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000365623397	429352441	/nfs/dbraw/zinc/35/24/41/429352441.db2.gz	KFUHUSFGJSQIDZ-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCCCC1	ZINC000456840417	429354535	/nfs/dbraw/zinc/35/45/35/429354535.db2.gz	PLFUIXHBHYAQPD-KRWDZBQOSA-N	0	3	317.408	2.824	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000456844364	429355166	/nfs/dbraw/zinc/35/51/66/429355166.db2.gz	SOKVMQWEIFVZCH-UPJWGTAASA-N	0	3	303.381	2.575	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cnccc1Oc1ccccc1	ZINC000491420424	429357942	/nfs/dbraw/zinc/35/79/42/429357942.db2.gz	YAXDEHMOQNVJQJ-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@]1(C#N)CC12CCCC2	ZINC000515386619	429376806	/nfs/dbraw/zinc/37/68/06/429376806.db2.gz	QVCWMOYTGJBKBF-KBXCAEBGSA-N	0	3	303.450	2.649	20	30		DFEDHN
C[C@]12CN(CC(=O)NCc3ccc(C#N)cc3)C[C@H]1[C@@H]1CC[C@H]2C1	ZINC000515988505	429379642	/nfs/dbraw/zinc/37/96/42/429379642.db2.gz	MLBQYXQCYWFHLI-DOADOZAASA-N	0	3	323.440	2.542	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccnc(Oc2ccccc2)c1	ZINC000491631906	429381133	/nfs/dbraw/zinc/38/11/33/429381133.db2.gz	RWFKZCCHOXLXEH-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
C#C[C@H](NC1CCN(C(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000491668216	429388420	/nfs/dbraw/zinc/38/84/20/429388420.db2.gz	SJTZVQWKIHFOTB-HNNXBMFYSA-N	0	3	306.793	2.835	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCN(Cc2ccccc2)C1	ZINC000449550909	429447543	/nfs/dbraw/zinc/44/75/43/429447543.db2.gz	CZSAEKNRPNANOF-KRWDZBQOSA-N	0	3	322.456	2.851	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNC(=O)c1cccc(F)c1C#N	ZINC000427651030	429462314	/nfs/dbraw/zinc/46/23/14/429462314.db2.gz	MSPHNOQCTOWZRF-AWEZNQCLSA-N	0	3	317.408	2.938	20	30		DFEDHN
Cc1cc(N2CCC(n3cnc(C#N)n3)CC2)c2ccccc2n1	ZINC000366491222	429463611	/nfs/dbraw/zinc/46/36/11/429463611.db2.gz	KEORSAREEOOIRQ-UHFFFAOYSA-N	0	3	318.384	2.848	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1cccc(C#N)c1	ZINC000519540557	429463898	/nfs/dbraw/zinc/46/38/98/429463898.db2.gz	MHAIMNFKGTVRMV-LJQANCHMSA-N	0	3	322.408	2.816	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)ccc1C#N	ZINC000449633635	429465345	/nfs/dbraw/zinc/46/53/45/429465345.db2.gz	PWHDJVBXFKSFAK-SJORKVTESA-N	0	3	300.402	2.956	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000491808697	429411718	/nfs/dbraw/zinc/41/17/18/429411718.db2.gz	FEGGSFPKYBOOSW-KRWDZBQOSA-N	0	3	301.434	2.692	20	30		DFEDHN
CC(C)C1(C)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000426766507	429413775	/nfs/dbraw/zinc/41/37/75/429413775.db2.gz	DZNSDGUBNCUDMK-UHFFFAOYSA-N	0	3	313.445	2.933	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CO)[C@H]2CC)cc1OC	ZINC000449430671	429415491	/nfs/dbraw/zinc/41/54/91/429415491.db2.gz	WIAGRVOHUUFJPR-JKSUJKDBSA-N	0	3	305.418	2.853	20	30		DFEDHN
CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C	ZINC000449492529	429433180	/nfs/dbraw/zinc/43/31/80/429433180.db2.gz	CCBKKNLQKPVJGZ-KDOFPFPSSA-N	0	3	324.428	2.816	20	30		DFEDHN
C[C@@H](CCCC(F)(F)F)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000492400102	429529446	/nfs/dbraw/zinc/52/94/46/429529446.db2.gz	RHJMORFFJNXKPC-GWCFXTLKSA-N	0	3	313.323	2.795	20	30		DFEDHN
Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ncc1C#N	ZINC000457560348	429487248	/nfs/dbraw/zinc/48/72/48/429487248.db2.gz	QDHIWTSHOGILAY-OAHLLOKOSA-N	0	3	322.412	2.512	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](C)C[C@@H](O)C2)ccc1OC	ZINC000449764665	429502376	/nfs/dbraw/zinc/50/23/76/429502376.db2.gz	CXSBTTUOGKUJCH-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](C)C[C@H](O)C2)ccc1OC	ZINC000449764666	429502781	/nfs/dbraw/zinc/50/27/81/429502781.db2.gz	CXSBTTUOGKUJCH-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C\c1ccc(C#N)cc1	ZINC000492340903	429515962	/nfs/dbraw/zinc/51/59/62/429515962.db2.gz	QXWBTOHZAIUROD-WHLNPGIBSA-N	0	3	311.429	2.760	20	30		DFEDHN
C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000450257304	429588344	/nfs/dbraw/zinc/58/83/44/429588344.db2.gz	KTJJYTAYGUNALD-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000457817335	429534911	/nfs/dbraw/zinc/53/49/11/429534911.db2.gz	QVXCPKIWTXSZLV-DUQPFJRNSA-N	0	3	320.477	2.546	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000457828835	429536084	/nfs/dbraw/zinc/53/60/84/429536084.db2.gz	CDBCFQDBCFGXPU-RCCFBDPRSA-N	0	3	322.493	2.984	20	30		DFEDHN
Cc1cc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)ncc1C#N	ZINC000457839593	429537388	/nfs/dbraw/zinc/53/73/88/429537388.db2.gz	GFGMWYBIIKLVEJ-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1	ZINC000366922037	429540221	/nfs/dbraw/zinc/54/02/21/429540221.db2.gz	FOXZLWXJMRCCKS-RDTXWAMCSA-N	0	3	324.428	2.958	20	30		DFEDHN
C=CCOc1cccc(CN2CCCN(c3ncccn3)CC2)c1	ZINC000367460710	429652316	/nfs/dbraw/zinc/65/23/16/429652316.db2.gz	HPIXAANXLNHKCD-UHFFFAOYSA-N	0	3	324.428	2.754	20	30		DFEDHN
CC[C@@H](c1ccccc1[O-])[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000367322414	429620774	/nfs/dbraw/zinc/62/07/74/429620774.db2.gz	RGHMCTIOHHATTJ-HNNXBMFYSA-N	0	3	311.389	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)CC1	ZINC000367362220	429629268	/nfs/dbraw/zinc/62/92/68/429629268.db2.gz	VKDMUUUVGQYRFZ-ZWKOTPCHSA-N	0	3	314.429	2.673	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CC#N)N(C)Cc1ccccc1	ZINC000458383430	429631123	/nfs/dbraw/zinc/63/11/23/429631123.db2.gz	SMDPEEZKOJRHGM-OAHLLOKOSA-N	0	3	316.449	2.746	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000367377689	429634757	/nfs/dbraw/zinc/63/47/57/429634757.db2.gz	MAHVEDUNKNVUGC-GOSISDBHSA-N	0	3	322.408	2.903	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000458439453	429638570	/nfs/dbraw/zinc/63/85/70/429638570.db2.gz	ULEFTSHXRXXINE-GDBMZVCRSA-N	0	3	319.474	2.796	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NCCN(CC)C1CC1	ZINC000522442258	429591889	/nfs/dbraw/zinc/59/18/89/429591889.db2.gz	HXVZZQCKYAAUMY-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCN1CCC(Nc2nc3ccccc3c(C)c2C#N)CC1	ZINC000450320389	429598734	/nfs/dbraw/zinc/59/87/34/429598734.db2.gz	VLJSCPZMWUPXLP-UHFFFAOYSA-N	0	3	306.413	3.477	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000367496877	429660830	/nfs/dbraw/zinc/66/08/30/429660830.db2.gz	UMTACFMNQWZYBU-MRXNPFEDSA-N	0	3	321.371	2.864	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@H](N3CCCCC3)C2)ccc1F	ZINC000367530564	429665342	/nfs/dbraw/zinc/66/53/42/429665342.db2.gz	GJLAUZBGGYINPG-INIZCTEOSA-N	0	3	315.392	2.788	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)[nH]1	ZINC000274394979	276016093	/nfs/dbraw/zinc/01/60/93/276016093.db2.gz	CSWZODSZRUIICK-SFHVURJKSA-N	0	3	324.428	2.773	20	30		DFEDHN
C=CCC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccco1	ZINC000367596364	429680239	/nfs/dbraw/zinc/68/02/39/429680239.db2.gz	PERCZZZFLBONTH-GDBMZVCRSA-N	0	3	300.406	2.889	20	30		DFEDHN
C[C@@H]1CCOCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000367661767	429693923	/nfs/dbraw/zinc/69/39/23/429693923.db2.gz	MTRXTPPTGXIQHB-GFCCVEGCSA-N	0	3	321.808	2.651	20	30		DFEDHN
CCOC[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000459707262	429701665	/nfs/dbraw/zinc/70/16/65/429701665.db2.gz	JHMRCVWDCWOWJI-INIZCTEOSA-N	0	3	318.417	2.837	20	30		DFEDHN
COc1ccc([C@H](CO)CNCc2ccc(C#N)cc2F)cc1	ZINC000459729082	429702336	/nfs/dbraw/zinc/70/23/36/429702336.db2.gz	GGFJNFOFJXVDSB-INIZCTEOSA-N	0	3	314.360	2.572	20	30		DFEDHN
C=C(CNC(=O)NCCN1CCC[C@H](C)C1)c1ccccc1	ZINC000479338065	429719714	/nfs/dbraw/zinc/71/97/14/429719714.db2.gz	DFTGBLMOVFLKPI-HNNXBMFYSA-N	0	3	301.434	2.731	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)cn1)N(C)C	ZINC000527192366	429731524	/nfs/dbraw/zinc/73/15/24/429731524.db2.gz	ZDPFGWDTEAIMOG-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C	ZINC000431122871	429744081	/nfs/dbraw/zinc/74/40/81/429744081.db2.gz	VYFWYVYWMSKTMB-RDJZCZTQSA-N	0	3	302.418	2.664	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CC1CCC(=O)CC1	ZINC000451036198	429753292	/nfs/dbraw/zinc/75/32/92/429753292.db2.gz	DTLZOPBISZABQB-UHFFFAOYSA-N	0	3	300.402	2.766	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	ZINC000431513212	429768440	/nfs/dbraw/zinc/76/84/40/429768440.db2.gz	JUPMTZXSUZWOIU-RKDXNWHRSA-N	0	3	304.737	2.727	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccc(F)c(C)c2)CC1	ZINC000493461923	429768420	/nfs/dbraw/zinc/76/84/20/429768420.db2.gz	VXESYYSPBSKMKQ-SOFGYWHQSA-N	0	3	314.404	2.751	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(Br)c(F)c1F	ZINC000527693159	429780879	/nfs/dbraw/zinc/78/08/79/429780879.db2.gz	VMISGJPZJPKYMS-VIFPVBQESA-N	0	3	306.150	2.754	20	30		DFEDHN
CC(C)(C[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1)C(N)=O	ZINC000451216070	429790663	/nfs/dbraw/zinc/79/06/63/429790663.db2.gz	LRNWWXOSAOQVJD-KRWDZBQOSA-N	0	3	313.445	2.866	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000451360169	429817089	/nfs/dbraw/zinc/81/70/89/429817089.db2.gz	DZSRSUJLNUALAR-OMWFQVSUSA-N	0	3	315.461	2.573	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC000451477123	429832982	/nfs/dbraw/zinc/83/29/82/429832982.db2.gz	HEUATJHGBMAKDH-USXIJHARSA-N	0	3	300.402	2.860	20	30		DFEDHN
CO[C@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C	ZINC000451504019	429836865	/nfs/dbraw/zinc/83/68/65/429836865.db2.gz	QPEUJERJELOAEI-OLZOCXBDSA-N	0	3	321.446	2.578	20	30		DFEDHN
CO[C@@H]1C[C@@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C	ZINC000451504017	429837995	/nfs/dbraw/zinc/83/79/95/429837995.db2.gz	QPEUJERJELOAEI-CHWSQXEVSA-N	0	3	321.446	2.578	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCc2sccc2[C@H]1CC	ZINC000451600191	429860628	/nfs/dbraw/zinc/86/06/28/429860628.db2.gz	QNCKWLUZLGUOOI-KFWWJZLASA-N	0	3	320.458	2.517	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000494374033	429869682	/nfs/dbraw/zinc/86/96/82/429869682.db2.gz	HMBIXFQEBQCNDA-GRDNDAEWSA-N	0	3	312.417	2.752	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC1CCN(C2CCC(C)CC2)CC1	ZINC000368533709	429863171	/nfs/dbraw/zinc/86/31/71/429863171.db2.gz	GAYOEZXGVRTFSM-UHFFFAOYSA-N	0	3	314.495	2.525	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NCCN(C)Cc1ccccc1	ZINC000494350214	429868223	/nfs/dbraw/zinc/86/82/23/429868223.db2.gz	MYLDPEMMFRWTFC-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC[C@@H]1CN(CC)CCN1CCCOc1cccc(C#N)c1	ZINC000451727326	429878794	/nfs/dbraw/zinc/87/87/94/429878794.db2.gz	ATQDMBYLVGFUAQ-QGZVFWFLSA-N	0	3	301.434	2.743	20	30		DFEDHN
Cc1nc([C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)sc1C	ZINC000528363156	429880025	/nfs/dbraw/zinc/88/00/25/429880025.db2.gz	LIUKWFKMKJFBRH-HUUCEWRRSA-N	0	3	319.474	2.994	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000528523608	429897314	/nfs/dbraw/zinc/89/73/14/429897314.db2.gz	UZUNDBVBEMQFGY-NFAWXSAZSA-N	0	3	324.783	2.518	20	30		DFEDHN
C=CCN(C(=O)NC(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000368925579	429902612	/nfs/dbraw/zinc/90/26/12/429902612.db2.gz	TUZDOPUWJGHDMR-QGZVFWFLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)CN1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000528713307	429909214	/nfs/dbraw/zinc/90/92/14/429909214.db2.gz	CYDGFCNOHPZSDK-UHFFFAOYSA-N	0	3	305.422	2.794	20	30		DFEDHN
C[C@@H]1CC(F)(F)CCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000528768912	429914649	/nfs/dbraw/zinc/91/46/49/429914649.db2.gz	PIUVWLSJVQIXPO-UKRRQHHQSA-N	0	3	324.371	2.612	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1c(Cl)cccc1Cl	ZINC000573108680	429927257	/nfs/dbraw/zinc/92/72/57/429927257.db2.gz	COQLSRWMQMZFOL-LBPRGKRZSA-N	0	3	300.189	2.631	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CC2)cc1	ZINC000528343924	429876379	/nfs/dbraw/zinc/87/63/79/429876379.db2.gz	ABSAGXTYMNEQTN-NVXWUHKLSA-N	0	3	300.402	2.887	20	30		DFEDHN
Cc1csc(NC(=O)N[C@H](C)CN2CCCCC2)c1C#N	ZINC000573784306	429981556	/nfs/dbraw/zinc/98/15/56/429981556.db2.gz	LEDDHVMHWSSLGS-GFCCVEGCSA-N	0	3	306.435	2.924	20	30		DFEDHN
CC1(C)C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C(C)(C)O1	ZINC000528919425	429935702	/nfs/dbraw/zinc/93/57/02/429935702.db2.gz	LKIOJDMGTLWVNL-KBPBESRZSA-N	0	3	314.385	2.928	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)cc1F	ZINC000573435201	429950250	/nfs/dbraw/zinc/95/02/50/429950250.db2.gz	FQULJKVBHCTOLE-AWEZNQCLSA-N	0	3	314.339	2.600	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529978654	430092663	/nfs/dbraw/zinc/09/26/63/430092663.db2.gz	MADCIKUJCCTHFB-GFISCPRKSA-N	0	3	300.402	2.687	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000637719508	430114549	/nfs/dbraw/zinc/11/45/49/430114549.db2.gz	ODZVBGZPJDJFAS-QGZVFWFLSA-N	0	3	301.434	2.787	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NC[C@H]3CCN3C3CCCC3)cc2)CC1	ZINC000530022446	430096140	/nfs/dbraw/zinc/09/61/40/430096140.db2.gz	GXPBOGSMSFNAPC-GOSISDBHSA-N	0	3	323.440	2.988	20	30		DFEDHN
N#CCc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1	ZINC000576281296	430103607	/nfs/dbraw/zinc/10/36/07/430103607.db2.gz	BGSDPVVSHMPHLO-SFHVURJKSA-N	0	3	311.429	2.776	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1cc(Cl)ccc1Cl	ZINC000576579035	430106699	/nfs/dbraw/zinc/10/66/99/430106699.db2.gz	XSHCJTVKIXNECT-LLVKDONJSA-N	0	3	303.189	2.626	20	30		DFEDHN
CC(C)Cn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000574988304	430054037	/nfs/dbraw/zinc/05/40/37/430054037.db2.gz	WQBHPCBDRVOHFH-ZDUSSCGKSA-N	0	3	321.384	2.916	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC12CCCC2	ZINC000529715313	430056724	/nfs/dbraw/zinc/05/67/24/430056724.db2.gz	DEDCOOIPOPJSDV-LPHOPBHVSA-N	0	3	315.461	2.984	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@H]2CCN2C2CCCCC2)CC12CCCC2	ZINC000529715315	430056813	/nfs/dbraw/zinc/05/68/13/430056813.db2.gz	DEDCOOIPOPJSDV-VQIMIIECSA-N	0	3	315.461	2.984	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000634643119	430063954	/nfs/dbraw/zinc/06/39/54/430063954.db2.gz	WMHRYKCLDJORJO-IEBWSBKVSA-N	0	3	319.445	2.595	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2ccc(OC)cc2)CC1	ZINC000532124539	430151129	/nfs/dbraw/zinc/15/11/29/430151129.db2.gz	SYLOSAKPPJILHM-HNNXBMFYSA-N	0	3	305.418	2.866	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@H]2CCCC[C@@H]21	ZINC000532098080	430151190	/nfs/dbraw/zinc/15/11/90/430151190.db2.gz	HFBLYADXWURCBZ-TWMKSMIVSA-N	0	3	305.466	2.895	20	30		DFEDHN
C[C@@]1(NC(=O)NCCCCC#N)CCN(Cc2ccccc2)C1	ZINC000577735844	430116377	/nfs/dbraw/zinc/11/63/77/430116377.db2.gz	TZKKHYAWHPKWHC-GOSISDBHSA-N	0	3	314.433	2.644	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)Cc1cccc(C#N)c1	ZINC000530909906	430127107	/nfs/dbraw/zinc/12/71/07/430127107.db2.gz	QLDTVHRJQMDWGS-UHFFFAOYSA-N	0	3	323.396	2.810	20	30		DFEDHN
Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNCCCC#N	ZINC000580640705	430140979	/nfs/dbraw/zinc/14/09/79/430140979.db2.gz	WCZDTEMSMQLZEF-MRXNPFEDSA-N	0	3	304.434	2.926	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(CC#N)cc1)[C@@H](N)c1ccccc1	ZINC000563169159	430180385	/nfs/dbraw/zinc/18/03/85/430180385.db2.gz	GEKUOCZKBGNXNE-KBXCAEBGSA-N	0	3	307.397	2.705	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1=CCN(C)CC1	ZINC000541901162	430194827	/nfs/dbraw/zinc/19/48/27/430194827.db2.gz	OKAVVSGUCSANNW-LLVKDONJSA-N	0	3	303.793	2.592	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000564741188	430198778	/nfs/dbraw/zinc/19/87/78/430198778.db2.gz	OPIHDFYMGMPJED-MRXNPFEDSA-N	0	3	317.481	2.727	20	30		DFEDHN
CC1(C)[C@@H](O)C[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000565159730	430204478	/nfs/dbraw/zinc/20/44/78/430204478.db2.gz	AJOHYIARUIUMKF-KBPBESRZSA-N	0	3	313.319	2.686	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000565695822	430222572	/nfs/dbraw/zinc/22/25/72/430222572.db2.gz	KPWOLOIFVUIGQC-JHJVBQTASA-N	0	3	303.793	2.727	20	30		DFEDHN
CCC[C@H](C)[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000565722292	430224306	/nfs/dbraw/zinc/22/43/06/430224306.db2.gz	OWZVCVTXOVFQCB-BHYGNILZSA-N	0	3	302.418	2.672	20	30		DFEDHN
COC[C@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000542526465	430214699	/nfs/dbraw/zinc/21/46/99/430214699.db2.gz	QHJPMGUWGKHIEE-ABAIWWIYSA-N	0	3	323.824	2.799	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000565492728	430216617	/nfs/dbraw/zinc/21/66/17/430216617.db2.gz	MYOILJVPDBWQCS-KBAYOESNSA-N	0	3	311.429	2.627	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543455922	430249492	/nfs/dbraw/zinc/24/94/92/430249492.db2.gz	IXTRJYQXSCUQMR-CZUORRHYSA-N	0	3	317.820	2.768	20	30		DFEDHN
CC(C)(CO)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000566463804	430262073	/nfs/dbraw/zinc/26/20/73/430262073.db2.gz	KVDHNTJIPXKJHK-SJORKVTESA-N	0	3	314.429	2.672	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](NC3(C4CCC4)CCC3)C2=O)cc1	ZINC000582167956	430274244	/nfs/dbraw/zinc/27/42/44/430274244.db2.gz	KXFKRWNAUPILSY-QGZVFWFLSA-N	0	3	309.413	2.976	20	30		DFEDHN
Cc1cccc2c1CC[C@H]2NC[C@H](O)COc1ccc(C#N)cc1	ZINC000582176394	430275149	/nfs/dbraw/zinc/27/51/49/430275149.db2.gz	QYRFLBLQFCAQHC-OXJNMPFZSA-N	0	3	322.408	2.884	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C	ZINC000567073311	430275876	/nfs/dbraw/zinc/27/58/76/430275876.db2.gz	FTWMUSAFYZGPDS-KGLIPLIRSA-N	0	3	308.447	2.935	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@H](Cc4ccccc4)C3)cnc12	ZINC000582606766	430316111	/nfs/dbraw/zinc/31/61/11/430316111.db2.gz	VLYZPIVQIRGVFP-MRXNPFEDSA-N	0	3	317.396	2.666	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1Oc1ccccc1	ZINC000568740372	430385780	/nfs/dbraw/zinc/38/57/80/430385780.db2.gz	QAXOHIRIEXUNOJ-CENPHQPOSA-N	0	3	300.402	2.893	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H](OC)C1CCOCC1	ZINC000638616528	430390383	/nfs/dbraw/zinc/39/03/83/430390383.db2.gz	MPBXYEVTRUSILR-SFHVURJKSA-N	0	3	305.418	2.783	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](C)C[C@@H]1CCCC(=O)N1	ZINC000638615394	430390402	/nfs/dbraw/zinc/39/04/02/430390402.db2.gz	AWPQVGBMRQYGDT-ZBFHGGJFSA-N	0	3	302.418	2.788	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cnc(-c2ccc(C)cc2)s1	ZINC000641769709	430466957	/nfs/dbraw/zinc/46/69/57/430466957.db2.gz	YKSPOLOFSMJDFE-OAHLLOKOSA-N	0	3	300.427	2.982	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C	ZINC000641769730	430467287	/nfs/dbraw/zinc/46/72/87/430467287.db2.gz	ZDOLLWDKEVLOCM-MRXNPFEDSA-N	0	3	317.820	2.698	20	30		DFEDHN
COc1ccccc1[C@@H](CNc1ccncc1C#N)N1CCCC1	ZINC000547824209	430425089	/nfs/dbraw/zinc/42/50/89/430425089.db2.gz	JPHVXALXWRQBPF-GOSISDBHSA-N	0	3	322.412	2.633	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NC2CCC(C(N)=O)CC2)cc1	ZINC000569187014	430431003	/nfs/dbraw/zinc/43/10/03/430431003.db2.gz	RAJOLDKMBQPBOU-DQPZFDDXSA-N	0	3	315.417	2.674	20	30		DFEDHN
CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1cccs1	ZINC000590569942	430487352	/nfs/dbraw/zinc/48/73/52/430487352.db2.gz	RNYCPBHCECIWIX-SECBINFHSA-N	0	3	312.851	3.444	20	30		DFEDHN
N#Cc1nc(NC[C@H]2CCCCN2C2CC2)ccc1C(F)(F)F	ZINC000548759666	430499277	/nfs/dbraw/zinc/49/92/77/430499277.db2.gz	RJXGSEDSEWONMV-GFCCVEGCSA-N	0	3	324.350	3.401	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1=O	ZINC000569965421	430502086	/nfs/dbraw/zinc/50/20/86/430502086.db2.gz	SSJXIBSPDSSHDD-XQQFMLRXSA-N	0	3	304.356	2.826	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c(C)c1	ZINC000595610438	430503559	/nfs/dbraw/zinc/50/35/59/430503559.db2.gz	YPMZBFFOARLJDW-IRXDYDNUSA-N	0	3	302.418	2.669	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)[C@@H](n2cncn2)C1	ZINC000570076410	430511180	/nfs/dbraw/zinc/51/11/80/430511180.db2.gz	SXYGBMPBTHGOPW-DFBGVHRSSA-N	0	3	301.419	2.731	20	30		DFEDHN
N#Cc1nc(N[C@H]2CCN(C3CCCCC3)C2)sc1Cl	ZINC000596477552	430515898	/nfs/dbraw/zinc/51/58/98/430515898.db2.gz	BAZOEMUGCGGUCN-JTQLQIEISA-N	0	3	310.854	3.487	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@@H]2c2ccccc2)CCOCC1	ZINC000599312761	430530310	/nfs/dbraw/zinc/53/03/10/430530310.db2.gz	BXHKKOIIHUNQDP-DLBZAZTESA-N	0	3	300.402	2.505	20	30		DFEDHN
N#Cc1cnn2cc(CNCCCSc3ccccc3)cnc12	ZINC000549761467	430533510	/nfs/dbraw/zinc/53/35/10/430533510.db2.gz	JEIZFGVGEWJBQL-UHFFFAOYSA-N	0	3	323.425	2.873	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1	ZINC000636455929	430548892	/nfs/dbraw/zinc/54/88/92/430548892.db2.gz	MHSHGLDOTDCVQZ-WBVHZDCISA-N	0	3	301.434	2.897	20	30		DFEDHN
CN(C)Cc1ccccc1NC(=O)Cc1c(F)cccc1C#N	ZINC000551920095	430570574	/nfs/dbraw/zinc/57/05/74/430570574.db2.gz	PYSFHXNULUUHDD-UHFFFAOYSA-N	0	3	311.360	2.940	20	30		DFEDHN
C=CCN1CCC(NCc2cc(OC)c(OC)cc2F)CC1	ZINC000570932890	430590535	/nfs/dbraw/zinc/59/05/35/430590535.db2.gz	VGAYHLBHVXGOIB-UHFFFAOYSA-N	0	3	308.397	2.583	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H](C2CC2)C2CCC2)cc1	ZINC000571022461	430597000	/nfs/dbraw/zinc/59/70/00/430597000.db2.gz	XOXYRROLKQZEJX-ROUUACIJSA-N	0	3	307.397	2.935	20	30		DFEDHN
Cc1ccc(NC(=O)c2ncc(C#N)cc2C)c(CN(C)C)c1	ZINC000550766936	430544667	/nfs/dbraw/zinc/54/46/67/430544667.db2.gz	HFZCGJWMIAKEMB-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
CC(C)COC[C@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21	ZINC000552969730	430604887	/nfs/dbraw/zinc/60/48/87/430604887.db2.gz	WROSIDKVJUGHFR-SJLPKXTDSA-N	0	3	302.418	2.559	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000553504420	430618440	/nfs/dbraw/zinc/61/84/40/430618440.db2.gz	LVVWEJHJNVVKDD-DOMZBBRYSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000553504421	430618502	/nfs/dbraw/zinc/61/85/02/430618502.db2.gz	LVVWEJHJNVVKDD-IUODEOHRSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCn1cc(CN[C@@H]2CCc3cccc(Cl)c3C2)nn1	ZINC000643794637	430631545	/nfs/dbraw/zinc/63/15/45/430631545.db2.gz	KEDBIBWMIXFJAE-CYBMUJFWSA-N	0	3	302.809	2.765	20	30		DFEDHN
C=CCn1cc(CN[C@H]2CCc3cccc(Cl)c3C2)nn1	ZINC000643794638	430631682	/nfs/dbraw/zinc/63/16/82/430631682.db2.gz	KEDBIBWMIXFJAE-ZDUSSCGKSA-N	0	3	302.809	2.765	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CCO)(CCO)CC2)cc1	ZINC000639393992	430632914	/nfs/dbraw/zinc/63/29/14/430632914.db2.gz	DYZYONSCUXVGCB-UHFFFAOYSA-N	0	3	319.445	2.598	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1	ZINC000643956418	430643457	/nfs/dbraw/zinc/64/34/57/430643457.db2.gz	HGMBMZAUGHOXAY-ZKXZWOTCSA-N	0	3	303.406	2.858	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CCN(CC2CC2)CC1	ZINC000555254297	430663286	/nfs/dbraw/zinc/66/32/86/430663286.db2.gz	GWJRDXCLTPUSRA-UHFFFAOYSA-N	0	3	317.481	2.729	20	30		DFEDHN
CCCC[C@H](CCC)NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572148911	430674105	/nfs/dbraw/zinc/67/41/05/430674105.db2.gz	IOEPCMMSXXTSGZ-HNNXBMFYSA-N	0	3	323.462	2.675	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1N1CCCC1	ZINC000275382939	278156605	/nfs/dbraw/zinc/15/66/05/278156605.db2.gz	BQQPWHBRZONBPG-HZPDHXFCSA-N	0	3	305.422	2.713	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1	ZINC000572564927	430690890	/nfs/dbraw/zinc/69/08/90/430690890.db2.gz	NKHGAXPCORHKFU-IJLUTSLNSA-N	0	3	321.783	2.866	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccc(C#N)c1	ZINC000291822882	278368741	/nfs/dbraw/zinc/36/87/41/278368741.db2.gz	DQTBPCFXHWREPI-DAXOMENPSA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(C#N)cc1	ZINC000370537575	278384475	/nfs/dbraw/zinc/38/44/75/278384475.db2.gz	FWDMHGWTOGRKBR-KDOFPFPSSA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1OC	ZINC000657703007	430710737	/nfs/dbraw/zinc/71/07/37/430710737.db2.gz	KHRYZAWTADHSRU-SJORKVTESA-N	0	3	303.402	2.653	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000657753507	430726311	/nfs/dbraw/zinc/72/63/11/430726311.db2.gz	CZLKHOIYKUYJHN-HNNXBMFYSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000664786338	430744843	/nfs/dbraw/zinc/74/48/43/430744843.db2.gz	WMTQXZBBEZGOSK-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3)cn2)CC1	ZINC000651273781	430755503	/nfs/dbraw/zinc/75/55/03/430755503.db2.gz	YRERQTQQNDUEGY-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000661568995	430759267	/nfs/dbraw/zinc/75/92/67/430759267.db2.gz	DEYSATBNSFTXBT-IBGZPJMESA-N	0	3	313.445	2.870	20	30		DFEDHN
C=CCN(CC(=O)N[C@@H]1CCOc2ccccc21)C(C)(C)C	ZINC000661754676	430832619	/nfs/dbraw/zinc/83/26/19/430832619.db2.gz	ANQGHEMJCLQKPI-OAHLLOKOSA-N	0	3	302.418	2.913	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C(F)F)nc2)nc(C)n1	ZINC000654969717	430852595	/nfs/dbraw/zinc/85/25/95/430852595.db2.gz	DMUZLUHNFXXGSQ-NSHDSACASA-N	0	3	302.284	2.916	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OC(C)(C)C)C12CCC2	ZINC000661836739	430858635	/nfs/dbraw/zinc/85/86/35/430858635.db2.gz	ACVUXKSLPATJFA-HOTGVXAUSA-N	0	3	320.477	2.903	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)c(OC)cc1OC	ZINC000651792980	430878458	/nfs/dbraw/zinc/87/84/58/430878458.db2.gz	RHMBEYKYDFSKNH-SJCJKPOMSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21	ZINC000665389726	430918577	/nfs/dbraw/zinc/91/85/77/430918577.db2.gz	OGJZCHJWQXOWST-WCXIOVBPSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000665392390	430921320	/nfs/dbraw/zinc/92/13/20/430921320.db2.gz	ZFNOPKIDZYFWQZ-VVLHAWIVSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCOc1ccc(CNCCN2CCCC2=O)cc1Cl	ZINC000651993956	430933435	/nfs/dbraw/zinc/93/34/35/430933435.db2.gz	UERGPNKCUFLTAZ-UHFFFAOYSA-N	0	3	308.809	2.617	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1	ZINC000659022758	430941387	/nfs/dbraw/zinc/94/13/87/430941387.db2.gz	SFQOLSMMUOJJJL-CQSZACIVSA-N	0	3	315.417	2.989	20	30		DFEDHN
C=CCCCN(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659034058	430945347	/nfs/dbraw/zinc/94/53/47/430945347.db2.gz	LHDYHMZCKHYUAI-INIZCTEOSA-N	0	3	303.406	2.777	20	30		DFEDHN
C=CCC1(C(=O)NCCN2CCC(OC)CC2)CCCCC1	ZINC000649087510	430996728	/nfs/dbraw/zinc/99/67/28/430996728.db2.gz	LXQVHOFCZSMLDR-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc(C(C)=O)c1	ZINC000662081892	430952097	/nfs/dbraw/zinc/95/20/97/430952097.db2.gz	SQTJAADYCLSTJL-KSZLIROESA-N	0	3	315.413	2.812	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(OCC)c1	ZINC000662084770	430953663	/nfs/dbraw/zinc/95/36/63/430953663.db2.gz	WDNVNKRJSWVJKE-CALCHBBNSA-N	0	3	314.429	2.885	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000665554504	430967435	/nfs/dbraw/zinc/96/74/35/430967435.db2.gz	MXRMKBFLYVWUIE-OAHLLOKOSA-N	0	3	319.449	2.893	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000649388078	431085019	/nfs/dbraw/zinc/08/50/19/431085019.db2.gz	XZDLNHGXOAJFIW-RDTXWAMCSA-N	0	3	320.433	2.517	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)[C@H]1CCOC1	ZINC000659848593	431143098	/nfs/dbraw/zinc/14/30/98/431143098.db2.gz	FWSLAVGQFUPFBZ-WMZOPIPTSA-N	0	3	305.418	2.735	20	30		DFEDHN
C[C@H](NCCCN1CCCCC1=O)c1ccc(C#N)cc1F	ZINC000358555493	279467336	/nfs/dbraw/zinc/46/73/36/279467336.db2.gz	AITHNKOBLNDIAC-ZDUSSCGKSA-N	0	3	303.381	2.751	20	30		DFEDHN
C=CCOCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000656685435	431474923	/nfs/dbraw/zinc/47/49/23/431474923.db2.gz	QPIOJWHRCMENEI-SFHVURJKSA-N	0	3	316.445	2.923	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1	ZINC000660642498	431527457	/nfs/dbraw/zinc/52/74/57/431527457.db2.gz	RQKJBWWKWCZRRR-DZUCGIPZSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C)C2(CCCCC2)C1	ZINC000653724921	431503985	/nfs/dbraw/zinc/50/39/85/431503985.db2.gz	SQEOENUJYYHMHX-KRWDZBQOSA-N	0	3	319.493	2.526	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)COCC2CC2)CC1	ZINC000660597980	431509202	/nfs/dbraw/zinc/50/92/02/431509202.db2.gz	UUZVCPHWTTXCNY-MRXNPFEDSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cscn2)CC1	ZINC000660598465	431509771	/nfs/dbraw/zinc/50/97/71/431509771.db2.gz	ZJTQTTFTLMFUPX-LBPRGKRZSA-N	0	3	308.451	2.544	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000656858489	431553431	/nfs/dbraw/zinc/55/34/31/431553431.db2.gz	LSJSZGAXEGJUFQ-OLZOCXBDSA-N	0	3	307.356	2.604	20	30		DFEDHN
C=C(C)[C@H](CO)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000656858491	431554602	/nfs/dbraw/zinc/55/46/02/431554602.db2.gz	LSJSZGAXEGJUFQ-STQMWFEESA-N	0	3	307.356	2.604	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CCC2CC2)CC2CC2)CC1	ZINC000664018832	431629571	/nfs/dbraw/zinc/62/95/71/431629571.db2.gz	DDRLNSDHZGTQFB-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000660887515	431645021	/nfs/dbraw/zinc/64/50/21/431645021.db2.gz	KNTCZPXHYAYRQB-JHNDHUHGSA-N	0	3	305.466	2.903	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H](C)Cc2ccc(OC)cc2)nn1	ZINC000657419959	431737645	/nfs/dbraw/zinc/73/76/45/431737645.db2.gz	SCQBLQMRSOAGSS-HNNXBMFYSA-N	0	3	314.433	2.831	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C(F)(F)F)cnn1C	ZINC000657454279	431760062	/nfs/dbraw/zinc/76/00/62/431760062.db2.gz	IJMKUUHZNDCICH-MFKMUULPSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(C)OC[C@H]2CC)CC1	ZINC000650852297	431720832	/nfs/dbraw/zinc/72/08/32/431720832.db2.gz	YKAKFMALBKPPNP-MRXNPFEDSA-N	0	3	323.481	2.626	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC#Cc2ccccc2Cl)C1	ZINC000661219085	431783083	/nfs/dbraw/zinc/78/30/83/431783083.db2.gz	MXGNCJRJDBUFIH-JFIYKMOQSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H]2C[C@H]2c2cccc(OC)c2)nn1	ZINC000657494396	431786358	/nfs/dbraw/zinc/78/63/58/431786358.db2.gz	AFCDDWQAQJTOFD-YJBOKZPZSA-N	0	3	312.417	2.756	20	30		DFEDHN
C=CCOCCCNCc1cc(O)ccc1Br	ZINC000657658432	431834152	/nfs/dbraw/zinc/83/41/52/431834152.db2.gz	XUMMTGYRHBUSPO-UHFFFAOYSA-N	0	3	300.196	2.837	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000661368821	431835483	/nfs/dbraw/zinc/83/54/83/431835483.db2.gz	MQMCTYVHRLYGAI-YVSFHVDLSA-N	0	3	303.450	2.896	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000661368833	431835948	/nfs/dbraw/zinc/83/59/48/431835948.db2.gz	MQMCTYVHRLYGAI-YYIAUSFCSA-N	0	3	303.450	2.896	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2cccc(OC)c2)C1	ZINC000661379089	431836677	/nfs/dbraw/zinc/83/66/77/431836677.db2.gz	SNEGHHRYTXFJOA-MRXNPFEDSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2ccc(COC)cc2)C1	ZINC000661381247	431838685	/nfs/dbraw/zinc/83/86/85/431838685.db2.gz	YIZWULQXVIQGBC-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C[C@@H]1COCC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000277268219	288370392	/nfs/dbraw/zinc/37/03/92/288370392.db2.gz	AHLYIPLABZARTE-IUODEOHRSA-N	0	3	313.319	2.951	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000361436732	290219162	/nfs/dbraw/zinc/21/91/62/290219162.db2.gz	BGSSROBSIVKQMH-RDTXWAMCSA-N	0	3	300.402	2.889	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H]1CCO[C@@H]1C	ZINC000292324219	335091337	/nfs/dbraw/zinc/09/13/37/335091337.db2.gz	OCCLWCDZFBTJIB-CHWSQXEVSA-N	0	3	306.431	2.670	20	30		DFEDHN
CCc1ccccc1CCN1CCN(c2cccc(C#N)n2)CC1	ZINC000444689794	297245691	/nfs/dbraw/zinc/24/56/91/297245691.db2.gz	PGXIAZWKBVGEJU-UHFFFAOYSA-N	0	3	320.440	2.880	20	30		DFEDHN
CC1CCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000537585649	301304228	/nfs/dbraw/zinc/30/42/28/301304228.db2.gz	BSFKOCXZXLRHAP-UHFFFAOYSA-N	0	3	305.809	2.673	20	30		DFEDHN
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)c(F)c1	ZINC000538507851	301322471	/nfs/dbraw/zinc/32/24/71/301322471.db2.gz	HWRRMIBFAGOBQL-GWCFXTLKSA-N	0	3	315.314	2.985	20	30		DFEDHN
CS[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H]1N(C)C	ZINC000540296336	301360929	/nfs/dbraw/zinc/36/09/29/301360929.db2.gz	PRNGLHLPPZSOBO-CVEARBPZSA-N	0	3	312.442	2.588	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNCc2cc3ccccc3o2)cc1	ZINC000554868406	301755414	/nfs/dbraw/zinc/75/54/14/301755414.db2.gz	DEIAMBUTDJHPRT-MRXNPFEDSA-N	0	3	322.364	2.834	20	30		DFEDHN
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccncn1	ZINC000556455545	301796435	/nfs/dbraw/zinc/79/64/35/301796435.db2.gz	VIUTYWHPOANVLT-IUDNXUCKSA-N	0	3	323.400	2.784	20	30		DFEDHN
CSc1ccc([C@@H](CNc2ccncc2C#N)N(C)C)cc1	ZINC000559002122	301864555	/nfs/dbraw/zinc/86/45/55/301864555.db2.gz	LFDQSWXTVQKNOG-QGZVFWFLSA-N	0	3	312.442	2.812	20	30		DFEDHN
CCOC[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1	ZINC000562990963	302022213	/nfs/dbraw/zinc/02/22/13/302022213.db2.gz	JLQIHHCMODPEAG-GOSISDBHSA-N	0	3	310.397	2.712	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H]3[C@@H]3CCCOC3)n2c1	ZINC000563151547	302041639	/nfs/dbraw/zinc/04/16/39/302041639.db2.gz	YCLGFCKBPYIKCQ-WBVHZDCISA-N	0	3	310.401	2.597	20	30		DFEDHN
CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000563219842	302051613	/nfs/dbraw/zinc/05/16/13/302051613.db2.gz	ZPFPRNGQQSJQNV-XHDPSFHLSA-N	0	3	323.824	2.537	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCC(=O)N1CCCCCC1)CC2	ZINC000564429315	302134515	/nfs/dbraw/zinc/13/45/15/302134515.db2.gz	RGJCCSMLIVMWPE-SFHVURJKSA-N	0	3	311.429	2.928	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnccc1C#N)N(C)C	ZINC000362115806	302208469	/nfs/dbraw/zinc/20/84/69/302208469.db2.gz	FOBXRBWQRVBQOP-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1Cl	ZINC000565867503	302245424	/nfs/dbraw/zinc/24/54/24/302245424.db2.gz	VBGYSVDYBRSZAS-HNNXBMFYSA-N	0	3	317.820	2.958	20	30		DFEDHN
CC[C@@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C[C@H](C)O	ZINC000567442778	302358653	/nfs/dbraw/zinc/35/86/53/302358653.db2.gz	GNQXXVSZMUDMGN-QWHCGFSZSA-N	0	3	323.387	2.777	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000570048490	302553650	/nfs/dbraw/zinc/55/36/50/302553650.db2.gz	WYSPKKJIUGKRHS-HZPDHXFCSA-N	0	3	315.373	2.904	20	30		DFEDHN
C[C@H](NC(=O)Nc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C	ZINC000573562787	302710314	/nfs/dbraw/zinc/71/03/14/302710314.db2.gz	ZBGWKMCPCMUNOH-SUMWQHHRSA-N	0	3	323.400	2.766	20	30		DFEDHN
C[C@@H](NCCNC(=O)c1ccccc1F)c1cccc(C#N)c1	ZINC000181551146	316063069	/nfs/dbraw/zinc/06/30/69/316063069.db2.gz	QWAWSIKKFLXTNY-CYBMUJFWSA-N	0	3	311.360	2.778	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CCCc2ccccc2C1	ZINC000324827266	316262448	/nfs/dbraw/zinc/26/24/48/316262448.db2.gz	YAXQZIUSJZZWJL-IBGZPJMESA-N	0	3	322.408	2.746	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](N[C@@H]2CCC[C@@H]3C[C@@H]32)C1=O	ZINC000572099011	318001227	/nfs/dbraw/zinc/00/12/27/318001227.db2.gz	YQZTVMOEYIAURW-YXCITZCRSA-N	0	3	301.415	2.503	20	30		DFEDHN
Cn1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)cc1C#N	ZINC000574558351	318024561	/nfs/dbraw/zinc/02/45/61/318024561.db2.gz	HJHAGEWBUUBKGI-INIZCTEOSA-N	0	3	319.412	2.911	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)Cc1cc(C#N)ccc1F	ZINC000575327087	318074054	/nfs/dbraw/zinc/07/40/54/318074054.db2.gz	OSOFOYLIOBNTGL-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C[C@@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1ccccc1Cl	ZINC000577373890	318188653	/nfs/dbraw/zinc/18/86/53/318188653.db2.gz	WQVVKWBJLQYEQO-NEPJUHHUSA-N	0	3	315.808	2.801	20	30		DFEDHN
Cc1cc(C#N)nc(N(CCCc2ccccc2)CCN(C)C)n1	ZINC000577478653	318195468	/nfs/dbraw/zinc/19/54/68/318195468.db2.gz	PTMLUYKPRROFFX-UHFFFAOYSA-N	0	3	323.444	2.658	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O	ZINC000578326695	318253635	/nfs/dbraw/zinc/25/36/35/318253635.db2.gz	BPWXPINPTZTXCQ-QZTJIDSGSA-N	0	3	302.418	2.558	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000381066704	323292467	/nfs/dbraw/zinc/29/24/67/323292467.db2.gz	NLCUCLKUZGWDMX-OLZOCXBDSA-N	0	3	303.406	2.950	20	30		DFEDHN
CC[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000388238319	323329364	/nfs/dbraw/zinc/32/93/64/323329364.db2.gz	ZFMXUASSCMMSJC-GDBMZVCRSA-N	0	3	320.458	2.890	20	30		DFEDHN
CCCC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCC1	ZINC000392001087	323347535	/nfs/dbraw/zinc/34/75/35/323347535.db2.gz	YXBKQESNQVPEKG-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000581057593	323469763	/nfs/dbraw/zinc/46/97/63/323469763.db2.gz	SEMKNRMQYXVKEO-DDTOSNHZSA-N	0	3	303.793	2.928	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3cc(C#N)ncn3)c2)CC1	ZINC000581109483	323475381	/nfs/dbraw/zinc/47/53/81/323475381.db2.gz	MQVPYQXXPIFDIE-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)ccc1C#N	ZINC000582943654	323764429	/nfs/dbraw/zinc/76/44/29/323764429.db2.gz	PJHZZPMEHGZKSV-UHFFFAOYSA-N	0	3	311.341	2.944	20	30		DFEDHN
CC(C)C1CC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000583357476	323840284	/nfs/dbraw/zinc/84/02/84/323840284.db2.gz	DDQGSLJOXOHVDZ-ABHNRTSZSA-N	0	3	311.429	2.683	20	30		DFEDHN
CCO[C@@H]1COC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000583854169	323923585	/nfs/dbraw/zinc/92/35/85/323923585.db2.gz	MNLDBUHFVMGFTL-KZNAEPCWSA-N	0	3	300.402	2.719	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000248932786	332886603	/nfs/dbraw/zinc/88/66/03/332886603.db2.gz	YALZEXRHFZYUGP-IJEWVQPXSA-N	0	3	315.392	2.993	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000363352087	331587323	/nfs/dbraw/zinc/58/73/23/331587323.db2.gz	LCYMCDVOPZXWRS-MRXNPFEDSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2scnc2C)CC1	ZINC000298114012	331635562	/nfs/dbraw/zinc/63/55/62/331635562.db2.gz	MFDZSRWYMREEKH-UHFFFAOYSA-N	0	3	307.463	2.541	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OC)cc1	ZINC000299427985	331690940	/nfs/dbraw/zinc/69/09/40/331690940.db2.gz	UFZGJGKRCZYPSO-GJZGRUSLSA-N	0	3	302.418	2.935	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2nc3ccccc3o2)CC1	ZINC000255088526	331701068	/nfs/dbraw/zinc/70/10/68/331701068.db2.gz	HCQUQTMXHZYANM-FPLPWBNLSA-N	0	3	311.385	2.608	20	30		DFEDHN
Cc1csc(CO/N=C/c2ccc(N3CCOCC3)cc2)n1	ZINC000088509238	332053310	/nfs/dbraw/zinc/05/33/10/332053310.db2.gz	VYUGWWJQESCODR-LICLKQGHSA-N	0	3	317.414	2.839	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(F)(F)F)C(C)C	ZINC000410387393	332122662	/nfs/dbraw/zinc/12/26/62/332122662.db2.gz	HOKQGYROKHCOIZ-ZDUSSCGKSA-N	0	3	321.387	2.889	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(F)(F)F)C(C)C	ZINC000410387391	332122683	/nfs/dbraw/zinc/12/26/83/332122683.db2.gz	HOKQGYROKHCOIZ-CYBMUJFWSA-N	0	3	321.387	2.889	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N(C)CCC(C)(C)C#N)C2)nn1	ZINC000363478944	332192231	/nfs/dbraw/zinc/19/22/31/332192231.db2.gz	DMPMSIJOBLSWTC-OAHLLOKOSA-N	0	3	301.438	2.626	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NC(=O)NCc1cccs1	ZINC000150874567	332197534	/nfs/dbraw/zinc/19/75/34/332197534.db2.gz	SWWJTZLJCAZVOG-UHFFFAOYSA-N	0	3	323.462	2.752	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](Cc1ccccc1)C1CC1	ZINC000181559189	332199569	/nfs/dbraw/zinc/19/95/69/332199569.db2.gz	WCJFHVPYKITRNM-PKOBYXMFSA-N	0	3	313.445	2.652	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccccc2)C(C)(C)C1	ZINC000370864661	332272342	/nfs/dbraw/zinc/27/23/42/332272342.db2.gz	FNDVGOLNYUDCKR-RDJZCZTQSA-N	0	3	313.445	2.873	20	30		DFEDHN
CCN(CC)Cc1cccc(NC(=O)C2(C#N)CCOCC2)c1	ZINC000109139544	332277069	/nfs/dbraw/zinc/27/70/69/332277069.db2.gz	NWDOBAYFGLOYLI-UHFFFAOYSA-N	0	3	315.417	2.787	20	30		DFEDHN
CCN(CC)c1ccc(/C=N/[C@@H]2CCN(C(C)C)C2=O)c(O)c1	ZINC000114630831	332328274	/nfs/dbraw/zinc/32/82/74/332328274.db2.gz	WYQOJFRRGSHIOT-PUMYGXPMSA-N	0	3	317.433	2.667	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)CSc2ncc(C)cn2)n1	ZINC000119354556	332370334	/nfs/dbraw/zinc/37/03/34/332370334.db2.gz	SELNIBKDWVLNOF-SNVBAGLBSA-N	0	3	304.400	2.519	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C2CCOCC2)CC1	ZINC000153334749	332373532	/nfs/dbraw/zinc/37/35/32/332373532.db2.gz	AVPMZFSUIUEJAY-MRXNPFEDSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=CCOc1cccc(CN2CCC3(CC2)OCCCO3)c1	ZINC000293544589	335109020	/nfs/dbraw/zinc/10/90/20/335109020.db2.gz	DEVHEXOVPKFXLZ-UHFFFAOYSA-N	0	3	303.402	2.980	20	30		DFEDHN
C=CCOCCN(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000293565024	335109394	/nfs/dbraw/zinc/10/93/94/335109394.db2.gz	SIDSLZKQXJXQFZ-UHFFFAOYSA-N	0	3	301.333	2.931	20	30		DFEDHN
CCc1ccc(C#CC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1	ZINC000293681314	335112177	/nfs/dbraw/zinc/11/21/77/335112177.db2.gz	KVYBGKACLNQBMI-RTBURBONSA-N	0	3	310.441	2.543	20	30		DFEDHN
N#CCCn1cc(CNC2CC(F)(F)C2)c(-c2ccncc2)n1	ZINC000566892979	332601001	/nfs/dbraw/zinc/60/10/01/332601001.db2.gz	LECFUDLEPWLFBO-UHFFFAOYSA-N	0	3	317.343	2.746	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1cccc2ccccc21	ZINC000562554388	332603637	/nfs/dbraw/zinc/60/36/37/332603637.db2.gz	MZQZQNMCWVDISP-KYNGSXCRSA-N	0	3	324.424	2.950	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](CCCC)c1ccc(OC)cc1	ZINC000293927516	335115673	/nfs/dbraw/zinc/11/56/73/335115673.db2.gz	YLZRTXHDFPQBSR-QGZVFWFLSA-N	0	3	302.418	2.656	20	30		DFEDHN
Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](O)CN(C)CCC#N	ZINC000562989199	333019267	/nfs/dbraw/zinc/01/92/67/333019267.db2.gz	YSPSGTUKYZFDHL-HUUCEWRRSA-N	0	3	315.417	2.598	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000171889098	333055809	/nfs/dbraw/zinc/05/58/09/333055809.db2.gz	ZUWOSAIFKRITAJ-INIZCTEOSA-N	0	3	312.417	2.800	20	30		DFEDHN
COC[C@@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000179372635	333149879	/nfs/dbraw/zinc/14/98/79/333149879.db2.gz	RMZRXVKIKFJXQA-CQSZACIVSA-N	0	3	306.406	2.844	20	30		DFEDHN
C[C@H](C#N)Oc1ccccc1NC(=O)NCCN1CCCCC1	ZINC000180041719	333157747	/nfs/dbraw/zinc/15/77/47/333157747.db2.gz	TVSGWBVTZMFLQU-CQSZACIVSA-N	0	3	316.405	2.585	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180168662	333159182	/nfs/dbraw/zinc/15/91/82/333159182.db2.gz	QRABEVQWXRZJID-QGZVFWFLSA-N	0	3	313.445	2.948	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180406397	333161588	/nfs/dbraw/zinc/16/15/88/333161588.db2.gz	PTIAUGYXPXIWBE-WMLDXEAASA-N	0	3	309.413	2.550	20	30		DFEDHN
CC(C)(C)NC(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000180512393	333162738	/nfs/dbraw/zinc/16/27/38/333162738.db2.gz	QVJVQEZHOMJULY-VIFPVBQESA-N	0	3	306.316	2.953	20	30		DFEDHN
CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C)cc1	ZINC000180878631	333165852	/nfs/dbraw/zinc/16/58/52/333165852.db2.gz	JNXDRGLRMLHPQR-BQASMSSTSA-N	0	3	313.401	2.562	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C	ZINC000181083902	333167297	/nfs/dbraw/zinc/16/72/97/333167297.db2.gz	PHHFSRTVGDISQL-RHSMWYFYSA-N	0	3	311.429	2.796	20	30		DFEDHN
CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2	ZINC000181511084	333169678	/nfs/dbraw/zinc/16/96/78/333169678.db2.gz	GYQMKYOHRWVTFA-DLBZAZTESA-N	0	3	309.413	2.550	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)C(C)(C)c1ccccc1	ZINC000181780134	333172455	/nfs/dbraw/zinc/17/24/55/333172455.db2.gz	CGPTYTKETKLHDT-JKSUJKDBSA-N	0	3	315.461	2.950	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363818883	333178485	/nfs/dbraw/zinc/17/84/85/333178485.db2.gz	JXWLDHFYJIAKSH-FUHWJXTLSA-N	0	3	313.445	2.704	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cc(C)cc(C)c1	ZINC000182895418	333180986	/nfs/dbraw/zinc/18/09/86/333180986.db2.gz	CZHJPVILSRSMBD-JKSUJKDBSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000294729741	335126851	/nfs/dbraw/zinc/12/68/51/335126851.db2.gz	XOSDFKFYBLRLNZ-QGZVFWFLSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000518781727	333186947	/nfs/dbraw/zinc/18/69/47/333186947.db2.gz	SZJWPWQOVAGHGU-MRXNPFEDSA-N	0	3	303.450	2.964	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncoc1C1CC1)C(C)C	ZINC000294812480	335127754	/nfs/dbraw/zinc/12/77/54/335127754.db2.gz	PTCVSYQWALERCF-OAHLLOKOSA-N	0	3	317.433	2.980	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccccc2CN2CCCC2=O)C1	ZINC000185774723	333213697	/nfs/dbraw/zinc/21/36/97/333213697.db2.gz	VINNOEITJJKQNC-MAUKXSAKSA-N	0	3	311.429	2.981	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC)c1OC	ZINC000185785785	333214059	/nfs/dbraw/zinc/21/40/59/333214059.db2.gz	WVOGNLJFXIEYKY-TZMCWYRMSA-N	0	3	304.390	2.884	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1	ZINC000185814251	333214635	/nfs/dbraw/zinc/21/46/35/333214635.db2.gz	PBYCFLZSCHSETN-YJBOKZPZSA-N	0	3	311.429	2.981	20	30		DFEDHN
COc1cc(OC)c(OC)cc1CN[C@H]1CCC[C@H](C#N)C1	ZINC000185812726	333214653	/nfs/dbraw/zinc/21/46/53/333214653.db2.gz	RTQZTGRWUINLTR-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CSCC#N	ZINC000186141157	333217502	/nfs/dbraw/zinc/21/75/02/333217502.db2.gz	UVVMMDDXYYOCBR-MRXNPFEDSA-N	0	3	319.474	2.516	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1(CN2CCC(CC#N)CC2)CC1	ZINC000497207358	333222402	/nfs/dbraw/zinc/22/24/02/333222402.db2.gz	BSLZXDMNKXSNBW-UHFFFAOYSA-N	0	3	307.438	2.917	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC(c2ccsc2)CC1	ZINC000186958566	333225541	/nfs/dbraw/zinc/22/55/41/333225541.db2.gz	LJDHGRDFBAVERR-UHFFFAOYSA-N	0	3	305.447	2.690	20	30		DFEDHN
C[C@H](NCC1(C#N)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000497307397	333234506	/nfs/dbraw/zinc/23/45/06/333234506.db2.gz	VFDCOBAHSTXNMT-KBPBESRZSA-N	0	3	307.438	2.915	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000491891697	333237100	/nfs/dbraw/zinc/23/71/00/333237100.db2.gz	JVEQIULBRHWYIS-IRBQFCFKSA-N	0	3	311.307	2.504	20	30		DFEDHN
C=CCc1cc(CN[C@H](CC)[C@@H](O)C(F)F)cc(OC)c1O	ZINC000294927302	335128917	/nfs/dbraw/zinc/12/89/17/335128917.db2.gz	BITXOMQTUZLSEU-IUODEOHRSA-N	0	3	315.360	2.624	20	30		DFEDHN
CCC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccsc1	ZINC000187783708	333237721	/nfs/dbraw/zinc/23/77/21/333237721.db2.gz	DNNPDGMGWMDKNA-PVEMMZBWSA-N	0	3	319.430	2.705	20	30		DFEDHN
C#CCN(C)CCCN[C@H](c1ccccc1)c1ccc(F)cn1	ZINC000295011110	335129810	/nfs/dbraw/zinc/12/98/10/335129810.db2.gz	MSLMRNYCIMAHQU-LJQANCHMSA-N	0	3	311.404	2.855	20	30		DFEDHN
COCCO[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000189683241	333261084	/nfs/dbraw/zinc/26/10/84/333261084.db2.gz	YMTSCZYBJSPXCP-MRXNPFEDSA-N	0	3	302.418	2.725	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1	ZINC000295100205	335132172	/nfs/dbraw/zinc/13/21/72/335132172.db2.gz	KGBPIVUTZVNCOJ-MAUKXSAKSA-N	0	3	314.429	2.547	20	30		DFEDHN
C=CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1	ZINC000111475830	333332545	/nfs/dbraw/zinc/33/25/45/333332545.db2.gz	OVVQVBWHXOPCND-UHFFFAOYSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1	ZINC000365179828	333356210	/nfs/dbraw/zinc/35/62/10/333356210.db2.gz	AKDSLHUBMYCHRH-DOTOQJQBSA-N	0	3	317.433	2.563	20	30		DFEDHN
C=CCOc1cccc(CN[C@]2(CO)C[C@@H](OCC)C2(C)C)c1	ZINC000186595609	333375022	/nfs/dbraw/zinc/37/50/22/333375022.db2.gz	OSQXMOCEPWQROI-MJGOQNOKSA-N	0	3	319.445	2.907	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1	ZINC000295928145	335138347	/nfs/dbraw/zinc/13/83/47/335138347.db2.gz	SGGFAAKPAMVAID-WBVHZDCISA-N	0	3	316.445	2.735	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccncc2F)CC1	ZINC000338043827	333468272	/nfs/dbraw/zinc/46/82/72/333468272.db2.gz	UEAKHAWPOABEHN-CYBMUJFWSA-N	0	3	320.412	2.621	20	30		DFEDHN
CC1CCN(CCNC(=O)[C@H](C#N)CCc2ccccc2)CC1	ZINC000339262927	333515924	/nfs/dbraw/zinc/51/59/24/333515924.db2.gz	GPWANWJSADNMGE-SFHVURJKSA-N	0	3	313.445	2.607	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCNC2=O)cc1	ZINC000296512625	335145827	/nfs/dbraw/zinc/14/58/27/335145827.db2.gz	POKIWHCWJORYMJ-DOMZBBRYSA-N	0	3	308.809	2.747	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1cccs1	ZINC000296914703	335149913	/nfs/dbraw/zinc/14/99/13/335149913.db2.gz	NYDQZNODDMLQDG-HNNXBMFYSA-N	0	3	319.474	2.796	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC23CCC(CC2)C3)CC1	ZINC000339777730	333607061	/nfs/dbraw/zinc/60/70/61/333607061.db2.gz	PYEWVCUAFXJVSK-UHFFFAOYSA-N	0	3	305.466	2.906	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCN(C(=O)OCC)C2)c1	ZINC000185790255	335151247	/nfs/dbraw/zinc/15/12/47/335151247.db2.gz	IPEGKIYUHKQTRN-HNNXBMFYSA-N	0	3	304.390	2.572	20	30		DFEDHN
C=C(C)COCCNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412188192	333737851	/nfs/dbraw/zinc/73/78/51/333737851.db2.gz	CZNRLBCPJUEUKH-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)cc(OC)c2)CC1	ZINC000339999273	333740060	/nfs/dbraw/zinc/74/00/60/333740060.db2.gz	KKRAVGXJGYWDOW-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
COc1ccc(CNCCOCC2CC2)cc1OCCCC#N	ZINC000264495397	333957214	/nfs/dbraw/zinc/95/72/14/333957214.db2.gz	ORCPWWIKKNGSJV-UHFFFAOYSA-N	0	3	318.417	2.894	20	30		DFEDHN
CCC[C@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264863121	333960105	/nfs/dbraw/zinc/96/01/05/333960105.db2.gz	PHEZQKYIJJYCHM-HNNXBMFYSA-N	0	3	306.406	2.628	20	30		DFEDHN
CCN(CCOC)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000271047035	334017525	/nfs/dbraw/zinc/01/75/25/334017525.db2.gz	MRLXIWUNOZUTMF-UHFFFAOYSA-N	0	3	306.406	2.846	20	30		DFEDHN
COCCCN(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000271132139	334018990	/nfs/dbraw/zinc/01/89/90/334018990.db2.gz	ADOKCMRUBIGKQF-UHFFFAOYSA-N	0	3	306.406	2.846	20	30		DFEDHN
CN(c1ccccc1CN(CC#N)C1CC1)C1CCN(C)CC1	ZINC000271155240	334019387	/nfs/dbraw/zinc/01/93/87/334019387.db2.gz	VUBABZCFCFCBIJ-UHFFFAOYSA-N	0	3	312.461	2.705	20	30		DFEDHN
CCC1(O)CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000271218294	334020439	/nfs/dbraw/zinc/02/04/39/334020439.db2.gz	XTRTWZUZTBVMSO-UHFFFAOYSA-N	0	3	301.434	2.773	20	30		DFEDHN
C=CCOc1ccccc1CNCC1(CS(C)(=O)=O)CCC1	ZINC000414565100	334022201	/nfs/dbraw/zinc/02/22/01/334022201.db2.gz	YGMARSKARXKHTD-UHFFFAOYSA-N	0	3	323.458	2.556	20	30		DFEDHN
CCS(=O)(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1	ZINC000343465407	335167018	/nfs/dbraw/zinc/16/70/18/335167018.db2.gz	PKZKYIPPOQASND-ZFWWWQNUSA-N	0	3	306.431	2.652	20	30		DFEDHN
CC1(C#N)CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000272561965	334037472	/nfs/dbraw/zinc/03/74/72/334037472.db2.gz	LTXTVZFSPQJASZ-MRXNPFEDSA-N	0	3	322.836	2.843	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2cc(F)ccc2N2CCOCC2)C1	ZINC000274228539	334057406	/nfs/dbraw/zinc/05/74/06/334057406.db2.gz	RZJPGZJQLAQKCN-WMLDXEAASA-N	0	3	317.408	2.834	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCC#N	ZINC000274461035	334061623	/nfs/dbraw/zinc/06/16/23/334061623.db2.gz	XJVYTMKWFVZXBE-QGZVFWFLSA-N	0	3	316.449	2.746	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1	ZINC000274941270	334067897	/nfs/dbraw/zinc/06/78/97/334067897.db2.gz	NSVPXKXTEAYECG-MRXNPFEDSA-N	0	3	313.445	2.907	20	30		DFEDHN
C[C@H](CCC#N)N(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000276357366	334076082	/nfs/dbraw/zinc/07/60/82/334076082.db2.gz	XRAAXWNWQVATFB-CABCVRRESA-N	0	3	307.463	2.745	20	30		DFEDHN
CN(C[C@H](c1cccs1)N1CCOCC1)[C@H]1CC[C@H](C#N)C1	ZINC000278502531	334096940	/nfs/dbraw/zinc/09/69/40/334096940.db2.gz	AJUKIHSXCMYDGK-HRCADAONSA-N	0	3	319.474	2.745	20	30		DFEDHN
C[C@@H](CC#N)N(C)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000278636579	334098935	/nfs/dbraw/zinc/09/89/35/334098935.db2.gz	OQBYQKGKJPCXPY-WMZOPIPTSA-N	0	3	301.434	2.511	20	30		DFEDHN
C[C@H](NCC1(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000366834702	335176654	/nfs/dbraw/zinc/17/66/54/335176654.db2.gz	VJYLIWNNHZVIIL-WMZOPIPTSA-N	0	3	313.445	2.559	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280253214	334115774	/nfs/dbraw/zinc/11/57/74/334115774.db2.gz	UKWZGMHFEQSDNX-PBHICJAKSA-N	0	3	313.445	2.900	20	30		DFEDHN
N#CCN1CCN(CC(c2ccccc2)c2ccccc2)CC1	ZINC000280705071	334119548	/nfs/dbraw/zinc/11/95/48/334119548.db2.gz	AVDLSIURYQEHSV-UHFFFAOYSA-N	0	3	305.425	2.960	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000282281018	334133135	/nfs/dbraw/zinc/13/31/35/334133135.db2.gz	KZTGKLDLRHPSCL-MQVNZCODSA-N	0	3	317.820	2.894	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000286050177	334151021	/nfs/dbraw/zinc/15/10/21/334151021.db2.gz	LFESBGZHHMWIMC-HKUYNNGSSA-N	0	3	313.445	2.953	20	30		DFEDHN
CCOC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000286157628	334151432	/nfs/dbraw/zinc/15/14/32/334151432.db2.gz	NYFGFGSTIDNAKV-QGZVFWFLSA-N	0	3	317.433	2.584	20	30		DFEDHN
N#CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000286229809	334152172	/nfs/dbraw/zinc/15/21/72/334152172.db2.gz	YEHMYKWKDKQBQQ-OAHLLOKOSA-N	0	3	321.371	2.564	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1N(C)C	ZINC000343584367	335179317	/nfs/dbraw/zinc/17/93/17/335179317.db2.gz	OEURUKZZBRXBEF-HOTGVXAUSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)cc(=O)[nH]1)C(C)C	ZINC000340303689	334163545	/nfs/dbraw/zinc/16/35/45/334163545.db2.gz	YNUIKPNWZWYSLG-MRXNPFEDSA-N	0	3	317.433	2.524	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(CC(C)(C)C#N)n2)c1	ZINC000289171907	334163703	/nfs/dbraw/zinc/16/37/03/334163703.db2.gz	OWWHKAZZWJQVKO-UHFFFAOYSA-N	0	3	314.389	2.769	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000292397718	334187595	/nfs/dbraw/zinc/18/75/95/334187595.db2.gz	YMZYKJFLUWGUHP-LJQANCHMSA-N	0	3	311.429	2.656	20	30		DFEDHN
N#CCCOCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	ZINC000294106531	334205727	/nfs/dbraw/zinc/20/57/27/334205727.db2.gz	MTDFIXHGSTZKHB-CABCVRRESA-N	0	3	312.772	2.829	20	30		DFEDHN
CC[C@H](NCc1ccc(N(C)CCC#N)cc1)[C@H](O)C(F)F	ZINC000294981900	334215225	/nfs/dbraw/zinc/21/52/25/334215225.db2.gz	GQDSJIQXPCWFQY-GJZGRUSLSA-N	0	3	311.376	2.531	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000298480567	334249029	/nfs/dbraw/zinc/24/90/29/334249029.db2.gz	VRDNAZFAPPSIEC-UHFFFAOYSA-N	0	3	300.406	2.606	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(CC#N)c1	ZINC000298940596	334252107	/nfs/dbraw/zinc/25/21/07/334252107.db2.gz	IOOINZZMFFCFIM-LJQANCHMSA-N	0	3	321.424	2.655	20	30		DFEDHN
C=CCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000121346431	334343676	/nfs/dbraw/zinc/34/36/76/334343676.db2.gz	TXCKRIPEXDUZJK-UHFFFAOYSA-N	0	3	312.417	2.936	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)Nc2nc3ccccc3s2)nc(C)n1	ZINC000340760864	334384817	/nfs/dbraw/zinc/38/48/17/334384817.db2.gz	NTCSVPNHXIPBHR-NSHDSACASA-N	0	3	323.381	2.949	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000341163772	334414685	/nfs/dbraw/zinc/41/46/85/334414685.db2.gz	IDPZAALAEBMMNM-QGZVFWFLSA-N	0	3	314.429	2.952	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000341476740	334452029	/nfs/dbraw/zinc/45/20/29/334452029.db2.gz	CUIVYYZHHZEMQM-KRWDZBQOSA-N	0	3	315.461	2.740	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC(C)(OC)CC1	ZINC000342176915	334514679	/nfs/dbraw/zinc/51/46/79/334514679.db2.gz	KXWYTOVTYNPLTC-KRWDZBQOSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000342287690	334524701	/nfs/dbraw/zinc/52/47/01/334524701.db2.gz	GZZWPTXCGLKNHX-ZDUSSCGKSA-N	0	3	304.438	2.999	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN(C2CCCC2)CC1	ZINC000342636550	334556688	/nfs/dbraw/zinc/55/66/88/334556688.db2.gz	VRDAUXRYMUTQPB-UHFFFAOYSA-N	0	3	308.466	2.836	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCCc1ccc(C)o1	ZINC000583495028	334606605	/nfs/dbraw/zinc/60/66/05/334606605.db2.gz	OCGWIJRVCCAKAV-QGZVFWFLSA-N	0	3	315.413	2.889	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000416335769	334661101	/nfs/dbraw/zinc/66/11/01/334661101.db2.gz	WMHRFCKWIJWOGH-UHFFFAOYSA-N	0	3	306.406	2.786	20	30		DFEDHN
Cc1noc(C(C)C)c1C(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000330377529	334774197	/nfs/dbraw/zinc/77/41/97/334774197.db2.gz	QDDABTYBARIIJD-AWEZNQCLSA-N	0	3	323.437	2.504	20	30		DFEDHN
Cc1oc(C(C)C)cc1C(=O)NCC1CCN(CCO)CC1	ZINC000330610013	334791876	/nfs/dbraw/zinc/79/18/76/334791876.db2.gz	MYFJSIFWYQOZEC-UHFFFAOYSA-N	0	3	308.422	2.720	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCCS2)CC1	ZINC000343760082	335191032	/nfs/dbraw/zinc/19/10/32/335191032.db2.gz	SDCGNJKSEFZTEY-HNNXBMFYSA-N	0	3	311.495	2.612	20	30		DFEDHN
COc1ccc([C@@H](CCO)NCc2ccc(CC#N)cc2)cc1	ZINC000343783861	335192871	/nfs/dbraw/zinc/19/28/71/335192871.db2.gz	FLXRYRIRUVIXRC-LJQANCHMSA-N	0	3	310.397	2.975	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000343815616	335195224	/nfs/dbraw/zinc/19/52/24/335195224.db2.gz	YDEIPERYWQTBIU-INIZCTEOSA-N	0	3	318.465	2.900	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCCN1C	ZINC000343858475	335198076	/nfs/dbraw/zinc/19/80/76/335198076.db2.gz	NATBSXUKDRLXLL-DJIMGWMZSA-N	0	3	314.433	2.813	20	30		DFEDHN
CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1CC=CCC1	ZINC000344070416	335215007	/nfs/dbraw/zinc/21/50/07/335215007.db2.gz	RMXBZQLAPNDAKB-INIZCTEOSA-N	0	3	303.450	2.959	20	30		DFEDHN
Cc1cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c(C)s1	ZINC000345112064	335299145	/nfs/dbraw/zinc/29/91/45/335299145.db2.gz	LANXEXVJJQNRRZ-RYUDHWBXSA-N	0	3	305.447	2.967	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1	ZINC000345946269	335363012	/nfs/dbraw/zinc/36/30/12/335363012.db2.gz	VTXJVQLAQXASJD-CYBMUJFWSA-N	0	3	322.836	2.874	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1	ZINC000345966973	335364563	/nfs/dbraw/zinc/36/45/63/335364563.db2.gz	UKGDLEIXSPOZPD-RHSMWYFYSA-N	0	3	317.433	2.533	20	30		DFEDHN
COc1cc([C@H](C)NCCC(C)(C)C#N)ccc1OCCO	ZINC000345985048	335367580	/nfs/dbraw/zinc/36/75/80/335367580.db2.gz	XOJYGLOEDRFWCX-ZDUSSCGKSA-N	0	3	306.406	2.657	20	30		DFEDHN
CC[C@H](C(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1)N(CC)CC	ZINC000346397375	335404314	/nfs/dbraw/zinc/40/43/14/335404314.db2.gz	YCGAMTZVOUGQQJ-KZNAEPCWSA-N	0	3	313.445	2.873	20	30		DFEDHN
C[C@H](CCCOc1ccccc1C(N)=O)N[C@H]1CCC[C@H]1C#N	ZINC000347436167	335496395	/nfs/dbraw/zinc/49/63/95/335496395.db2.gz	LPVMAHJJRXXWLS-YCPHGPKFSA-N	0	3	315.417	2.615	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000348470126	335588924	/nfs/dbraw/zinc/58/89/24/335588924.db2.gz	PWQKYTYTQNXHLS-SOUVJXGZSA-N	0	3	323.506	2.981	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000348479475	335589293	/nfs/dbraw/zinc/58/92/93/335589293.db2.gz	OOTABQDLCTXXCA-TTZDDIAXSA-N	0	3	311.495	2.693	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1	ZINC000104697479	335674895	/nfs/dbraw/zinc/67/48/95/335674895.db2.gz	QSUKGXBVSGBDFE-BBRMVZONSA-N	0	3	315.417	2.518	20	30		DFEDHN
O=C(N[C@@H]1CSc2ccccc21)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329608292	336004854	/nfs/dbraw/zinc/00/48/54/336004854.db2.gz	NAZMGWKCCVFEIO-QMTHXVAHSA-N	0	3	314.414	2.618	20	30		DFEDHN
O=C(N[C@@H]1CSc2ccccc21)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329608292	336004855	/nfs/dbraw/zinc/00/48/55/336004855.db2.gz	NAZMGWKCCVFEIO-QMTHXVAHSA-N	0	3	314.414	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sc(C(C)C)nc2C)CC1	ZINC000520686959	336016124	/nfs/dbraw/zinc/01/61/24/336016124.db2.gz	QFIQAQBUBZVSDM-UHFFFAOYSA-N	0	3	307.463	2.955	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000351490167	336038026	/nfs/dbraw/zinc/03/80/26/336038026.db2.gz	DSEBAOKSRLQSIT-CQSZACIVSA-N	0	3	306.454	2.775	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)CCC#N)C2)nc1	ZINC000351496207	336038644	/nfs/dbraw/zinc/03/86/44/336038644.db2.gz	VZXASUHWBWWQKT-CABCVRRESA-N	0	3	300.406	2.733	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000351617073	336050861	/nfs/dbraw/zinc/05/08/61/336050861.db2.gz	WNGJMZIDXQSDDP-LSDHHAIUSA-N	0	3	301.438	2.876	20	30		DFEDHN
C[C@H](CCC#N)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000351617065	336051039	/nfs/dbraw/zinc/05/10/39/336051039.db2.gz	WNGJMZIDXQSDDP-CABCVRRESA-N	0	3	301.438	2.876	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@H]1c1ccccc1	ZINC000329703292	336060798	/nfs/dbraw/zinc/06/07/98/336060798.db2.gz	IFMIMGSWQCYEOT-SUYBPPKGSA-N	0	3	310.401	2.874	20	30		DFEDHN
C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@H]1c1ccccc1	ZINC000329703292	336060800	/nfs/dbraw/zinc/06/08/00/336060800.db2.gz	IFMIMGSWQCYEOT-SUYBPPKGSA-N	0	3	310.401	2.874	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NCc1ccccc1CN1CCCCC1	ZINC000351767174	336065970	/nfs/dbraw/zinc/06/59/70/336065970.db2.gz	CWWIOPJXGPCXSK-LJQANCHMSA-N	0	3	316.445	2.616	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000329747469	336076672	/nfs/dbraw/zinc/07/66/72/336076672.db2.gz	ZKWGFHMINSNSEO-CORIIIEPSA-N	0	3	322.478	2.835	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000329747469	336076675	/nfs/dbraw/zinc/07/66/75/336076675.db2.gz	ZKWGFHMINSNSEO-CORIIIEPSA-N	0	3	322.478	2.835	20	30		DFEDHN
CC(C)c1nccn1CCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000329822655	336086257	/nfs/dbraw/zinc/08/62/57/336086257.db2.gz	HGZQQNYLOHIXOR-UKRRQHHQSA-N	0	3	304.438	2.836	20	30		DFEDHN
C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC12CCC2	ZINC000329892299	336092818	/nfs/dbraw/zinc/09/28/18/336092818.db2.gz	ADPKDJDDHZGROI-CABCVRRESA-N	0	3	316.449	2.872	20	30		DFEDHN
[O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H]2CCC[C@@H]21	ZINC000329894754	336093086	/nfs/dbraw/zinc/09/30/86/336093086.db2.gz	BPJWFJILNUGXTQ-KKUMJFAQSA-N	0	3	302.422	2.624	20	30		DFEDHN
Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000329916530	336095038	/nfs/dbraw/zinc/09/50/38/336095038.db2.gz	DUCLZYPTCINWCJ-XJKSGUPXSA-N	0	3	315.417	2.559	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000330020773	336106436	/nfs/dbraw/zinc/10/64/36/336106436.db2.gz	ALYVCFIIYUHDRO-WCVJEAGWSA-N	0	3	311.470	2.566	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000330020772	336106499	/nfs/dbraw/zinc/10/64/99/336106499.db2.gz	ALYVCFIIYUHDRO-FZKCQIBNSA-N	0	3	311.470	2.566	20	30		DFEDHN
CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000330061408	336110183	/nfs/dbraw/zinc/11/01/83/336110183.db2.gz	OFBFOYUHJAJFTQ-MLGOLLRUSA-N	0	3	318.465	2.527	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCN1C	ZINC000330106023	336113839	/nfs/dbraw/zinc/11/38/39/336113839.db2.gz	KGSXNFOELMZUBF-SYAUCNOPSA-N	0	3	303.406	2.598	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000351901868	336115075	/nfs/dbraw/zinc/11/50/75/336115075.db2.gz	HVQXXQBXIBJQRM-DLBZAZTESA-N	0	3	308.466	2.835	20	30		DFEDHN
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000330162190	336119556	/nfs/dbraw/zinc/11/95/56/336119556.db2.gz	UIQUKQJERHHMOK-WCQYABFASA-N	0	3	314.389	2.832	20	30		DFEDHN
Cc1nnccc1NC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000330168080	336120141	/nfs/dbraw/zinc/12/01/41/336120141.db2.gz	ZQZXODQLFFUENM-UHFFFAOYSA-N	0	3	317.437	2.528	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CC(F)(F)F)C(C)C	ZINC000445898984	338514858	/nfs/dbraw/zinc/51/48/58/338514858.db2.gz	TXQOAUVOUOYRRS-NWDGAFQWSA-N	0	3	307.360	2.561	20	30		DFEDHN
O=C(NC[C@H](O)C1CCOCC1)[C@H]1CCCCN1C1CCCC1	ZINC000330255619	336130509	/nfs/dbraw/zinc/13/05/09/336130509.db2.gz	BIOIUQSQZDFMPB-SJORKVTESA-N	0	3	324.465	2.528	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](O)C12CCCC2	ZINC000330353464	336176362	/nfs/dbraw/zinc/17/63/62/336176362.db2.gz	OMDGXICWHNUTCG-HZPDHXFCSA-N	0	3	323.481	2.544	20	30		DFEDHN
C=CCc1cc(CNCC2(C(=O)OCC)CC2)cc(OC)c1O	ZINC000351941358	336180444	/nfs/dbraw/zinc/18/04/44/336180444.db2.gz	QBPIJSNZMGOXNJ-UHFFFAOYSA-N	0	3	319.401	2.562	20	30		DFEDHN
N#CC1CCC(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1	ZINC000333302119	336201548	/nfs/dbraw/zinc/20/15/48/336201548.db2.gz	MNGHKEBHJYZLTA-OFLPRAFFSA-N	0	3	318.465	2.586	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C2CC2)CC1	ZINC000352199919	336201628	/nfs/dbraw/zinc/20/16/28/336201628.db2.gz	FZQUSJXEZKYWMM-KSSFIOAISA-N	0	3	305.466	2.941	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1	ZINC000352199920	336201710	/nfs/dbraw/zinc/20/17/10/336201710.db2.gz	FZQUSJXEZKYWMM-RDTXWAMCSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2ccccc2CC)CC1	ZINC000352269809	336209106	/nfs/dbraw/zinc/20/91/06/336209106.db2.gz	YIDQDRQYNOOWAD-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
N#CC1(NC(=O)CN2CC[C@H](C3CCCC3)C2)CCCCC1	ZINC000333877061	336211602	/nfs/dbraw/zinc/21/16/02/336211602.db2.gz	SZVBYXDHKDYMPR-INIZCTEOSA-N	0	3	303.450	2.841	20	30		DFEDHN
N#CC(C(=O)Nc1ccccc1C(F)(F)F)c1ccncn1	ZINC000352312700	336211915	/nfs/dbraw/zinc/21/19/15/336211915.db2.gz	IWDBWGWNVGMKEU-SECBINFHSA-N	0	3	306.247	2.741	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1	ZINC000334097585	336218461	/nfs/dbraw/zinc/21/84/61/336218461.db2.gz	TVDYWOMPOWARFQ-HOTGVXAUSA-N	0	3	318.465	2.729	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OC)c(OCc2ccccc2)c1	ZINC000352466027	336220781	/nfs/dbraw/zinc/22/07/81/336220781.db2.gz	SXQYGXATRYVEPA-QGZVFWFLSA-N	0	3	313.397	2.911	20	30		DFEDHN
C[C@H]1[C@H](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000526136136	336231585	/nfs/dbraw/zinc/23/15/85/336231585.db2.gz	PKBVBYCPFPETMD-RDJZCZTQSA-N	0	3	311.429	2.502	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000532321295	336238620	/nfs/dbraw/zinc/23/86/20/336238620.db2.gz	DMZPLXRMUAPZAP-VOLNDZDFSA-N	0	3	311.429	2.878	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1	ZINC000103499477	336242030	/nfs/dbraw/zinc/24/20/30/336242030.db2.gz	DIFYUZQDNPLOPZ-UONOGXRCSA-N	0	3	304.459	2.976	20	30		DFEDHN
COC[C@H](C)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000526991774	336278169	/nfs/dbraw/zinc/27/81/69/336278169.db2.gz	IFMDMPVOIUJTRU-RHSMWYFYSA-N	0	3	321.852	2.805	20	30		DFEDHN
CC(C)(C#N)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000417997989	336288554	/nfs/dbraw/zinc/28/85/54/336288554.db2.gz	SRFJIFJBJZIJHP-INIZCTEOSA-N	0	3	310.401	2.689	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3nc(SC)sc32)CC1	ZINC000301388409	336303884	/nfs/dbraw/zinc/30/38/84/336303884.db2.gz	DWMBVSRCLCLYBC-UHFFFAOYSA-N	0	3	321.475	2.871	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]2C(C)C)c(OC)c1	ZINC000353027643	336380582	/nfs/dbraw/zinc/38/05/82/336380582.db2.gz	OLRSMAIKSZBOLU-SJORKVTESA-N	0	3	319.445	2.894	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000418030116	336393116	/nfs/dbraw/zinc/39/31/16/336393116.db2.gz	MEJRNLJFUTXLAR-WQGACYEGSA-N	0	3	323.387	2.974	20	30		DFEDHN
C=CCc1cc(CNCCc2cc(C)no2)cc(OC)c1O	ZINC000353084674	336400105	/nfs/dbraw/zinc/40/01/05/336400105.db2.gz	HRGNOJIPMCRFGU-UHFFFAOYSA-N	0	3	302.374	2.758	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)CC1	ZINC000353778012	336440033	/nfs/dbraw/zinc/44/00/33/336440033.db2.gz	ZBOYIOXLNJTCCT-WBVHZDCISA-N	0	3	320.477	2.785	20	30		DFEDHN
C=C(C)COCCNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000354073569	336457842	/nfs/dbraw/zinc/45/78/42/336457842.db2.gz	CSCNDWIBCZFJIN-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000358309394	336623217	/nfs/dbraw/zinc/62/32/17/336623217.db2.gz	ZSNXKLKJCDJHBH-CYBMUJFWSA-N	0	3	306.406	2.897	20	30		DFEDHN
C=CCOc1ccc(CNC[C@]2(OC)CCOC2)cc1Cl	ZINC000359643253	336681448	/nfs/dbraw/zinc/68/14/48/336681448.db2.gz	XFRYHLZCLMOEJQ-MRXNPFEDSA-N	0	3	311.809	2.800	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(OC)cn1)C(C)C	ZINC000359980966	336696415	/nfs/dbraw/zinc/69/64/15/336696415.db2.gz	IZFMCSRACKWTGY-KRWDZBQOSA-N	0	3	317.433	2.519	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCCC#N	ZINC000360375529	336710123	/nfs/dbraw/zinc/71/01/23/336710123.db2.gz	KNQCFHWAEPEZJR-UHFFFAOYSA-N	0	3	309.360	2.549	20	30		DFEDHN
COc1ccc(Cn2nc(C)c(CNCCCC#N)c2C)cc1	ZINC000361760157	336771708	/nfs/dbraw/zinc/77/17/08/336771708.db2.gz	PBNDZXACSIJYJB-UHFFFAOYSA-N	0	3	312.417	2.950	20	30		DFEDHN
C=CCN(CC)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000368818463	336853303	/nfs/dbraw/zinc/85/33/03/336853303.db2.gz	UIYILMNFFPEKLN-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@@H]1Oc1ccccc1	ZINC000369704306	336869784	/nfs/dbraw/zinc/86/97/84/336869784.db2.gz	PRGFSOZHMNVAPZ-BBWFWOEESA-N	0	3	300.402	2.895	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC2(CC#N)CC2)[C@@H]1Oc1ccccc1	ZINC000369704317	336869849	/nfs/dbraw/zinc/86/98/49/336869849.db2.gz	PRGFSOZHMNVAPZ-ZACQAIPSSA-N	0	3	300.402	2.895	20	30		DFEDHN
C#CCCCCC(=O)Nc1ccc(OC2CCN(C)CC2)nc1	ZINC000120053483	336895282	/nfs/dbraw/zinc/89/52/82/336895282.db2.gz	VLNLYZGQXDKPRV-UHFFFAOYSA-N	0	3	315.417	2.687	20	30		DFEDHN
C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000418208273	336905845	/nfs/dbraw/zinc/90/58/45/336905845.db2.gz	CZNSIZZXXCHIDH-UXLLHSPISA-N	0	3	314.433	2.813	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1C(=N)NO	ZINC000372308774	336927466	/nfs/dbraw/zinc/92/74/66/336927466.db2.gz	KNSDZZJRXNVMEO-OAHLLOKOSA-N	0	3	300.406	2.798	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)CC1	ZINC000374113729	336981402	/nfs/dbraw/zinc/98/14/02/336981402.db2.gz	LXGBRXNGYLJKMG-IYARVYRRSA-N	0	3	310.441	2.702	20	30		DFEDHN
C[C@@H]1[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CC(=O)N1Cc1ccccc1	ZINC000374230354	336984441	/nfs/dbraw/zinc/98/44/41/336984441.db2.gz	MQJNDZYMLGUQCP-VDHUWJSZSA-N	0	3	311.429	2.848	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@H]1/C=C/c1cccs1	ZINC000375185332	337005439	/nfs/dbraw/zinc/00/54/39/337005439.db2.gz	XZYKMKKKTVCLHR-KIUWMYQTSA-N	0	3	317.458	2.988	20	30		DFEDHN
C#CCCCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000375337379	337008272	/nfs/dbraw/zinc/00/82/72/337008272.db2.gz	RUOVSQQPVSOBKK-UHFFFAOYSA-N	0	3	314.429	2.579	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000376520158	337035806	/nfs/dbraw/zinc/03/58/06/337035806.db2.gz	WPAYWKQEGKUCPR-PBHICJAKSA-N	0	3	322.474	2.840	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc2c1OCO2	ZINC000123187982	337038999	/nfs/dbraw/zinc/03/89/99/337038999.db2.gz	NUUFBMXPQSHVFR-LBPRGKRZSA-N	0	3	319.320	2.792	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000377006212	337045106	/nfs/dbraw/zinc/04/51/06/337045106.db2.gz	PQZPGRBZDRCXLL-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCC(C)(C)CCC#N	ZINC000377049212	337046018	/nfs/dbraw/zinc/04/60/18/337046018.db2.gz	WYVDWTCQGDUDLS-HZPDHXFCSA-N	0	3	320.481	2.975	20	30		DFEDHN
CC[C@H](C)[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000582454068	337055032	/nfs/dbraw/zinc/05/50/32/337055032.db2.gz	LQKLJGLPASUINR-JKSUJKDBSA-N	0	3	304.438	2.543	20	30		DFEDHN
C#Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000377550409	337055059	/nfs/dbraw/zinc/05/50/59/337055059.db2.gz	PEQUELXQDBFAFB-LJQANCHMSA-N	0	3	322.452	2.892	20	30		DFEDHN
C=CCN(C(=O)c1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377571812	337055395	/nfs/dbraw/zinc/05/53/95/337055395.db2.gz	FGTXPLYSPBUJEK-LJQANCHMSA-N	0	3	321.424	2.984	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000377605701	337055978	/nfs/dbraw/zinc/05/59/78/337055978.db2.gz	XQRVYJWMOQMNAD-PKOBYXMFSA-N	0	3	315.461	2.759	20	30		DFEDHN
C#Cc1ccc(CN2CCC(NC(=O)c3ccoc3)CC2)cc1	ZINC000377649504	337057552	/nfs/dbraw/zinc/05/75/52/337057552.db2.gz	MTMLQWSZVMBUOR-UHFFFAOYSA-N	0	3	308.381	2.655	20	30		DFEDHN
CCC[C@@]1(CO)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000377838735	337062456	/nfs/dbraw/zinc/06/24/56/337062456.db2.gz	BPQQEBGTOSCGMU-CRAIPNDOSA-N	0	3	302.418	2.962	20	30		DFEDHN
C#CCCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000377883713	337063173	/nfs/dbraw/zinc/06/31/73/337063173.db2.gz	KXYXAJTWFMBBQV-GOSISDBHSA-N	0	3	313.445	2.611	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1	ZINC000377890265	337063588	/nfs/dbraw/zinc/06/35/88/337063588.db2.gz	TXBGBIYLSSNUEN-HOCLYGCPSA-N	0	3	310.401	2.700	20	30		DFEDHN
C=CCOCCCC(=O)Nc1cccc2c1CCN(CC)C2	ZINC000378172589	337067665	/nfs/dbraw/zinc/06/76/65/337067665.db2.gz	HQHKSPRTRRRERA-UHFFFAOYSA-N	0	3	302.418	2.986	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCCC2)C1	ZINC000378575771	337075936	/nfs/dbraw/zinc/07/59/36/337075936.db2.gz	XLIKIFFVWMFRIE-HOTGVXAUSA-N	0	3	309.454	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)CC1	ZINC000170946165	337085579	/nfs/dbraw/zinc/08/55/79/337085579.db2.gz	VJAMVNLLVVBRNS-MSOLQXFVSA-N	0	3	314.429	2.565	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000171411005	337087246	/nfs/dbraw/zinc/08/72/46/337087246.db2.gz	WHHCQSHYGLDSPI-QGZVFWFLSA-N	0	3	314.433	2.817	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000171558284	337088069	/nfs/dbraw/zinc/08/80/69/337088069.db2.gz	AWJVSGPJIVXFML-ARFHVFGLSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc(-c3ccco3)s2)CC1	ZINC000171715957	337088740	/nfs/dbraw/zinc/08/87/40/337088740.db2.gz	XQKDOXKAYPHMFS-UHFFFAOYSA-N	0	3	317.414	2.783	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2C)CC1	ZINC000171721753	337088870	/nfs/dbraw/zinc/08/88/70/337088870.db2.gz	QMDUQWOVXASSTB-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccccc2COC)CC1	ZINC000171739646	337089048	/nfs/dbraw/zinc/08/90/48/337089048.db2.gz	RPVXRRHEKBCUNI-UHFFFAOYSA-N	0	3	303.406	2.605	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C)ccc2OC)CC1	ZINC000171739396	337089100	/nfs/dbraw/zinc/08/91/00/337089100.db2.gz	DUEUYUDDPSEBJN-UHFFFAOYSA-N	0	3	303.406	2.776	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OCC)c(F)c2)CC1	ZINC000171741727	337089109	/nfs/dbraw/zinc/08/91/09/337089109.db2.gz	NSKIVWQMTMXMQO-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@H]2CCc3ccccc32)CC1	ZINC000171739518	337089113	/nfs/dbraw/zinc/08/91/13/337089113.db2.gz	TWTGKWNJPIVVIU-SFHVURJKSA-N	0	3	313.445	2.966	20	30		DFEDHN
C#CCOc1ccc(CN[C@H]2CCc3nnc(C(C)C)n3C2)cc1	ZINC000172117411	337089854	/nfs/dbraw/zinc/08/98/54/337089854.db2.gz	IFASXCRGTLGLFW-INIZCTEOSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CNc2c(C)cccc2C)CC1	ZINC000173580012	337136480	/nfs/dbraw/zinc/13/64/80/337136480.db2.gz	QOIQPSCKHXOMJC-UHFFFAOYSA-N	0	3	315.461	2.872	20	30		DFEDHN
C=CCOCCCC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000173881861	337138708	/nfs/dbraw/zinc/13/87/08/337138708.db2.gz	LGWKJQFKXCDMRI-UHFFFAOYSA-N	0	3	308.466	2.694	20	30		DFEDHN
C#CCCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000174116783	337139362	/nfs/dbraw/zinc/13/93/62/337139362.db2.gz	NRCJDEAWLHDKQQ-GDBMZVCRSA-N	0	3	319.474	2.844	20	30		DFEDHN
C#CCCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000174116798	337139365	/nfs/dbraw/zinc/13/93/65/337139365.db2.gz	NRCJDEAWLHDKQQ-GOEBONIOSA-N	0	3	319.474	2.844	20	30		DFEDHN
OCC1(NCC#Cc2ccc(OC(F)(F)F)cc2)CCCC1	ZINC000179068076	337166764	/nfs/dbraw/zinc/16/67/64/337166764.db2.gz	YJYRHYABFDUBRS-UHFFFAOYSA-N	0	3	313.319	2.831	20	30		DFEDHN
C=CCCCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000582795777	337169113	/nfs/dbraw/zinc/16/91/13/337169113.db2.gz	ASMUBHDGLCUTOK-DLBZAZTESA-N	0	3	301.434	2.869	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1	ZINC000180629753	337176834	/nfs/dbraw/zinc/17/68/34/337176834.db2.gz	XCOYNXNGWNZWCL-ZBFHGGJFSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000181124383	337178167	/nfs/dbraw/zinc/17/81/67/337178167.db2.gz	OKQXGPYTYZSTRA-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CN(C)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000183461889	337191943	/nfs/dbraw/zinc/19/19/43/337191943.db2.gz	ZAETWIMJYFXILO-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(CC#N)cc1)CO2	ZINC000582964944	337221400	/nfs/dbraw/zinc/22/14/00/337221400.db2.gz	YQVIYHMDWLZCEE-KRWDZBQOSA-N	0	3	308.381	2.855	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCSCC[C@H]2C)CC1	ZINC000188681823	337275007	/nfs/dbraw/zinc/27/50/07/337275007.db2.gz	RDVKQGOAXHGDHS-CQSZACIVSA-N	0	3	311.495	2.564	20	30		DFEDHN
CC1(C)[C@@H](O)C[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000189329301	337278742	/nfs/dbraw/zinc/27/87/42/337278742.db2.gz	SGTUBZXNCJERBP-IRXDYDNUSA-N	0	3	324.428	2.713	20	30		DFEDHN
C=CCCCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000190964531	337291721	/nfs/dbraw/zinc/29/17/21/337291721.db2.gz	VSVBXNFLVVUHOD-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1cccnc1	ZINC000191039005	337293228	/nfs/dbraw/zinc/29/32/28/337293228.db2.gz	VYRABCYZYQZEND-ZDUSSCGKSA-N	0	3	315.446	2.570	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1	ZINC000398164782	337307766	/nfs/dbraw/zinc/30/77/66/337307766.db2.gz	LZXWDNFNDFYXLM-VOLNDZDFSA-N	0	3	311.429	2.705	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cccc(-n3cccn3)c2C#N)CN1C1CC1	ZINC000584421245	337323953	/nfs/dbraw/zinc/32/39/53/337323953.db2.gz	IQHGJHIOKKSYCM-ZIAGYGMSSA-N	0	3	307.401	2.781	20	30		DFEDHN
CN(C)C(=O)c1ccccc1CNCc1ccc(CC#N)cc1	ZINC000584469421	337344929	/nfs/dbraw/zinc/34/49/29/337344929.db2.gz	DWBNZJHUEWEBIC-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CCCN(CCC#N)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000114477336	337391628	/nfs/dbraw/zinc/39/16/28/337391628.db2.gz	HKYIFPWTMDKVJM-UHFFFAOYSA-N	0	3	301.438	2.688	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1	ZINC000120582406	337396026	/nfs/dbraw/zinc/39/60/26/337396026.db2.gz	DPSNXFHMOORGHA-WBVHZDCISA-N	0	3	322.412	2.741	20	30		DFEDHN
C=CCn1cc(CNc2cc(CCC)nc3ccccc32)nn1	ZINC000425265568	337444530	/nfs/dbraw/zinc/44/45/30/337444530.db2.gz	WEVLWJAICDKMLE-UHFFFAOYSA-N	0	3	307.401	2.999	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C	ZINC000053644293	337451702	/nfs/dbraw/zinc/45/17/02/337451702.db2.gz	PDBNTCUIPHRIKM-HNNXBMFYSA-N	0	3	321.396	2.514	20	30		DFEDHN
C#CCCOc1ccc(CNCCOc2ncccc2F)cc1	ZINC000269502829	337637299	/nfs/dbraw/zinc/63/72/99/337637299.db2.gz	QLCQXBZWSKZXFT-UHFFFAOYSA-N	0	3	314.360	2.791	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1F	ZINC000424071703	337731056	/nfs/dbraw/zinc/73/10/56/337731056.db2.gz	BWNHHNDIBKDMHK-JTQLQIEISA-N	0	3	314.158	2.548	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000424073723	337731174	/nfs/dbraw/zinc/73/11/74/337731174.db2.gz	FZVUHOPTSOBQAW-KURKYZTESA-N	0	3	316.445	2.907	20	30		DFEDHN
Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Br	ZINC000424075228	337731198	/nfs/dbraw/zinc/73/11/98/337731198.db2.gz	IVNOAJIJWYFONB-GFCCVEGCSA-N	0	3	310.195	2.717	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1	ZINC000424072541	337731214	/nfs/dbraw/zinc/73/12/14/337731214.db2.gz	YMKYSYALKOGWFR-LBPRGKRZSA-N	0	3	315.295	2.587	20	30		DFEDHN
CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H](N)CCCC#N	ZINC000424078910	337731283	/nfs/dbraw/zinc/73/12/83/337731283.db2.gz	QQYTUIZGSCRKHJ-GFCCVEGCSA-N	0	3	314.216	2.973	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000424076052	337731333	/nfs/dbraw/zinc/73/13/33/337731333.db2.gz	KWSAZKQVSVEMSY-GFCCVEGCSA-N	0	3	300.387	2.770	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424085425	337731861	/nfs/dbraw/zinc/73/18/61/337731861.db2.gz	CXNBDRGQYHMOBB-CJNGLKHVSA-N	0	3	303.406	2.672	20	30		DFEDHN
COC(=O)COc1ccccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1	ZINC000424325438	337821069	/nfs/dbraw/zinc/82/10/69/337821069.db2.gz	KUNOILUEXINYMT-MELADBBJSA-N	0	3	302.374	2.581	20	30		DFEDHN
CCCN(CC#N)Cc1ccccc1N1CCN(CCC)CC1	ZINC000092398269	337903776	/nfs/dbraw/zinc/90/37/76/337903776.db2.gz	RGCWSOWEZBCMNO-UHFFFAOYSA-N	0	3	314.477	2.954	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(OCCOC)CC2)cc1	ZINC000093339314	337915225	/nfs/dbraw/zinc/91/52/25/337915225.db2.gz	GWDZRMFMZUOTJW-UHFFFAOYSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000515872325	338000681	/nfs/dbraw/zinc/00/06/81/338000681.db2.gz	ZDVKPOKWKVJOKG-HNNXBMFYSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000515872326	338000701	/nfs/dbraw/zinc/00/07/01/338000701.db2.gz	ZDVKPOKWKVJOKG-OAHLLOKOSA-N	0	3	317.481	2.727	20	30		DFEDHN
COCCC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426178303	338022273	/nfs/dbraw/zinc/02/22/73/338022273.db2.gz	ZXAHYPZYKYAVHJ-INIZCTEOSA-N	0	3	300.402	2.644	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCO[C@@H]1C(=C)C)C(C)C	ZINC000426422156	338031777	/nfs/dbraw/zinc/03/17/77/338031777.db2.gz	UVUPRHVMKHDVLB-FGTMMUONSA-N	0	3	320.477	2.782	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000428533477	338055665	/nfs/dbraw/zinc/05/56/65/338055665.db2.gz	DPEUVMJEMMOHFA-AEFFLSMTSA-N	0	3	302.418	2.794	20	30		DFEDHN
CCC1(CC)[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1OC	ZINC000429311868	338077384	/nfs/dbraw/zinc/07/73/84/338077384.db2.gz	VRXLLXKGYOSGRJ-KCYZZUKISA-N	0	3	323.481	2.613	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cc(F)ccc1C	ZINC000429710117	338088047	/nfs/dbraw/zinc/08/80/47/338088047.db2.gz	UTZSGBNFPPNJIU-OAHLLOKOSA-N	0	3	321.440	2.901	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1cccc(C)c1C	ZINC000429712344	338088119	/nfs/dbraw/zinc/08/81/19/338088119.db2.gz	HACTXBNNRCFFMM-UHFFFAOYSA-N	0	3	303.450	2.682	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000429714806	338088126	/nfs/dbraw/zinc/08/81/26/338088126.db2.gz	HESCRESCJSSOGD-IRXDYDNUSA-N	0	3	317.477	2.692	20	30		DFEDHN
C=CCN(CC=C)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000429720322	338088165	/nfs/dbraw/zinc/08/81/65/338088165.db2.gz	VUTYOKPYTWQERP-LJQANCHMSA-N	0	3	300.446	2.952	20	30		DFEDHN
CNC(=O)[C@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000429782335	338089792	/nfs/dbraw/zinc/08/97/92/338089792.db2.gz	FTGBAAFCQUTJME-LSDHHAIUSA-N	0	3	324.346	2.561	20	30		DFEDHN
CCOc1c(OC)cc(CNCC2(CC#N)CC2)cc1OC	ZINC000430016875	338093502	/nfs/dbraw/zinc/09/35/02/338093502.db2.gz	BSJVAXUMTQHVBP-UHFFFAOYSA-N	0	3	304.390	2.886	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000431293935	338127557	/nfs/dbraw/zinc/12/75/57/338127557.db2.gz	GRUFJDVRRURKMV-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
CS(=O)(=O)CC1(CN[C@H](CCCC#N)c2ccccc2)CC1	ZINC000433023450	338176843	/nfs/dbraw/zinc/17/68/43/338176843.db2.gz	QAAORDIBXWGIPB-MRXNPFEDSA-N	0	3	320.458	2.836	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C#N)CCc1ccccc1	ZINC000433294760	338189754	/nfs/dbraw/zinc/18/97/54/338189754.db2.gz	ATDKKCMAJKOOOP-ROUUACIJSA-N	0	3	315.461	2.851	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccccc1[N+](=O)[O-]	ZINC000433300709	338190325	/nfs/dbraw/zinc/19/03/25/338190325.db2.gz	DXTFWQKOPIMPCF-OAHLLOKOSA-N	0	3	323.352	2.984	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000435422535	338239696	/nfs/dbraw/zinc/23/96/96/338239696.db2.gz	OSFNEEOKCDPMEE-KRWDZBQOSA-N	0	3	322.474	2.537	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(Br)s1	ZINC000435733332	338246785	/nfs/dbraw/zinc/24/67/85/338246785.db2.gz	SPJLOVWMKNFYBH-CABZTGNLSA-N	0	3	317.252	2.976	20	30		DFEDHN
CC(C#N)C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1	ZINC000436020140	338256068	/nfs/dbraw/zinc/25/60/68/338256068.db2.gz	PRCRGIWYGFJJQY-CYBMUJFWSA-N	0	3	316.792	2.725	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1	ZINC000437500549	338311816	/nfs/dbraw/zinc/31/18/16/338311816.db2.gz	MMTNBHJMSAQLDG-IKGGRYGDSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C	ZINC000437632683	338316683	/nfs/dbraw/zinc/31/66/83/338316683.db2.gz	HJLBMERMTLZZHQ-HZMVEIRTSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)N1CCCC[C@H]1C	ZINC000437632686	338316708	/nfs/dbraw/zinc/31/67/08/338316708.db2.gz	HJLBMERMTLZZHQ-TWMKSMIVSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000437634151	338316717	/nfs/dbraw/zinc/31/67/17/338316717.db2.gz	GNULXHRTYCLFFE-PKOBYXMFSA-N	0	3	318.461	2.504	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCCC2	ZINC000439670859	338375667	/nfs/dbraw/zinc/37/56/67/338375667.db2.gz	IOUPENXMCPCHSK-ULQDDVLXSA-N	0	3	320.477	2.903	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN(CCOC)CC2)CCCCC1	ZINC000448799081	338575387	/nfs/dbraw/zinc/57/53/87/338575387.db2.gz	NAHPRYNYWKNXSD-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)N2CCCC2)cc1	ZINC000448829381	338576471	/nfs/dbraw/zinc/57/64/71/338576471.db2.gz	YBYVEMPKPBQWJV-IEZWGBDMSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)cc2c1O[C@H](C)C2	ZINC000449545917	338636368	/nfs/dbraw/zinc/63/63/68/338636368.db2.gz	AFMFSBGGCBYPEB-JLZZUVOBSA-N	0	3	303.402	2.842	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C	ZINC000451505628	338736978	/nfs/dbraw/zinc/73/69/78/338736978.db2.gz	TVHBHRVBQLWYRT-BASYENTBSA-N	0	3	323.481	2.611	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl	ZINC000451606215	338740212	/nfs/dbraw/zinc/74/02/12/338740212.db2.gz	MOLBSIXNXPVFHP-FZZIBODNSA-N	0	3	312.772	2.739	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cccc(C(=O)NCC(C)C)c1	ZINC000451606219	338740225	/nfs/dbraw/zinc/74/02/25/338740225.db2.gz	MPYSPCIIZMYTNB-SJORKVTESA-N	0	3	302.418	2.506	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(SC)cc1	ZINC000451607047	338740281	/nfs/dbraw/zinc/74/02/81/338740281.db2.gz	OLCYREROAJBMDW-DFBGVHRSSA-N	0	3	306.431	2.669	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)cc1Cl	ZINC000451609236	338740337	/nfs/dbraw/zinc/74/03/37/338740337.db2.gz	UYAGOWJSASPFFH-GLQYFDAESA-N	0	3	308.809	2.909	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(Cl)ccc1F	ZINC000451608205	338740353	/nfs/dbraw/zinc/74/03/53/338740353.db2.gz	RKLOOMQEHJLSRM-IUPBHXKESA-N	0	3	312.772	2.739	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453453403	338843277	/nfs/dbraw/zinc/84/32/77/338843277.db2.gz	VHEJONAMWPDUQR-HNNXBMFYSA-N	0	3	305.470	2.583	20	30		DFEDHN
C=CC(C)(C)CNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000454913176	338875602	/nfs/dbraw/zinc/87/56/02/338875602.db2.gz	BSGZHZIDWBQYEQ-UHFFFAOYSA-N	0	3	319.453	2.792	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000458682404	339003299	/nfs/dbraw/zinc/00/32/99/339003299.db2.gz	SJNKGSDNRYJNTR-SFHVURJKSA-N	0	3	313.445	2.562	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)NCC(C)(C)CC#N)c1ccco1	ZINC000458769611	339005094	/nfs/dbraw/zinc/00/50/94/339005094.db2.gz	NCKTWUZLKYLDBE-ZIAGYGMSSA-N	0	3	320.437	2.948	20	30		DFEDHN
CN(C)CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)C1CCCC1	ZINC000459023236	339011434	/nfs/dbraw/zinc/01/14/34/339011434.db2.gz	YSJZBPGSRCXHSP-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)N(C)C	ZINC000459057215	339012278	/nfs/dbraw/zinc/01/22/78/339012278.db2.gz	KTJZLXIWUMNBHA-HNNXBMFYSA-N	0	3	321.469	2.502	20	30		DFEDHN
C=C(C)COCCNCc1ccccc1N1CCO[C@@H](C)C1	ZINC000459435570	339029139	/nfs/dbraw/zinc/02/91/39/339029139.db2.gz	DURRPNPZDWTARI-INIZCTEOSA-N	0	3	304.434	2.594	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000464748576	339151032	/nfs/dbraw/zinc/15/10/32/339151032.db2.gz	AKKTVMNFPCAOJT-KRWDZBQOSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCCCCCN(C)C(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000481787971	339614088	/nfs/dbraw/zinc/61/40/88/339614088.db2.gz	YOKBNUMZUCWICX-INIZCTEOSA-N	0	3	313.511	2.812	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCC(F)F)cc2)CC1	ZINC000490780661	339840255	/nfs/dbraw/zinc/84/02/55/339840255.db2.gz	NZOZQLKFSVGWEN-UHFFFAOYSA-N	0	3	322.355	2.614	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2csc3ccccc23)CC1	ZINC000491044736	339846950	/nfs/dbraw/zinc/84/69/50/339846950.db2.gz	IPNDNJLRWQFURW-UHFFFAOYSA-N	0	3	312.438	2.863	20	30		DFEDHN
C#CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1	ZINC000491338907	339858481	/nfs/dbraw/zinc/85/84/81/339858481.db2.gz	MKCNTXYDTRNPBZ-MAUKXSAKSA-N	0	3	313.445	2.793	20	30		DFEDHN
C#CCNC(=O)CCN[C@H]1CCc2c1ccc(Cl)c2Cl	ZINC000491570100	339867449	/nfs/dbraw/zinc/86/74/49/339867449.db2.gz	ZGGLHTYSADMTQG-ZDUSSCGKSA-N	0	3	311.212	2.710	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491678315	339873461	/nfs/dbraw/zinc/87/34/61/339873461.db2.gz	SZWIBXSJSIGUBG-MRXNPFEDSA-N	0	3	308.784	2.659	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000494217235	339943959	/nfs/dbraw/zinc/94/39/59/339943959.db2.gz	ULYDEVONXBXNOA-QZTJIDSGSA-N	0	3	315.461	2.909	20	30		DFEDHN
CCOC(=O)N(C)C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000495029916	339970845	/nfs/dbraw/zinc/97/08/45/339970845.db2.gz	INNVCMUWFODSNC-UHFFFAOYSA-N	0	3	315.417	2.805	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496490443	340006570	/nfs/dbraw/zinc/00/65/70/340006570.db2.gz	ZJIBLXKHIHKXOF-WQVCFCJDSA-N	0	3	302.374	2.637	20	30		DFEDHN
C=CCOCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000496920383	340016227	/nfs/dbraw/zinc/01/62/27/340016227.db2.gz	BVQIERRBLIZWFO-HUUCEWRRSA-N	0	3	310.438	2.520	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@](C)(F)C1)C(C)C	ZINC000500795960	340067377	/nfs/dbraw/zinc/06/73/77/340067377.db2.gz	VOACTQWSNSHXJL-RDJZCZTQSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1	ZINC000507269095	340216157	/nfs/dbraw/zinc/21/61/57/340216157.db2.gz	VWSUTZPKEVKZKF-ZIAGYGMSSA-N	0	3	312.417	2.803	20	30		DFEDHN
C=CCC1(c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CCC1	ZINC000564269439	341049248	/nfs/dbraw/zinc/04/92/48/341049248.db2.gz	XQUPARHZLZOMDO-BETUJISGSA-N	0	3	300.406	2.923	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CN2CCC(CC#N)CC2)c1	ZINC000543809917	341060036	/nfs/dbraw/zinc/06/00/36/341060036.db2.gz	RIMFVYSULHXLAX-KRWDZBQOSA-N	0	3	302.418	2.669	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000544616535	341089363	/nfs/dbraw/zinc/08/93/63/341089363.db2.gz	LWJKFJKFFVSZLT-UHFFFAOYSA-N	0	3	317.820	2.982	20	30		DFEDHN
C[C@@](O)(C1CCN(CCCSCC#N)CC1)C(F)(F)F	ZINC000546638530	341176632	/nfs/dbraw/zinc/17/66/32/341176632.db2.gz	VJNLVDSVYKLFMZ-GFCCVEGCSA-N	0	3	310.385	2.659	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC1	ZINC000548511253	341265164	/nfs/dbraw/zinc/26/51/64/341265164.db2.gz	JCWDPGYKTFBHKW-LBPRGKRZSA-N	0	3	321.387	2.913	20	30		DFEDHN
CC(C)(CNC[C@H](C#N)CCC#N)c1ccc2c(c1)OCCO2	ZINC000548788285	341275606	/nfs/dbraw/zinc/27/56/06/341275606.db2.gz	DBINPOSCHCDQFJ-AWEZNQCLSA-N	0	3	313.401	2.769	20	30		DFEDHN
C=CCOCCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000549525479	341296359	/nfs/dbraw/zinc/29/63/59/341296359.db2.gz	APMQLGXHAKNXRD-HNNXBMFYSA-N	0	3	320.433	2.783	20	30		DFEDHN
C[C@H](NC[C@H](C#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000549997636	341308372	/nfs/dbraw/zinc/30/83/72/341308372.db2.gz	OIXVHGFSCBSWNP-STQMWFEESA-N	0	3	316.371	2.682	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000245902020	341317745	/nfs/dbraw/zinc/31/77/45/341317745.db2.gz	BEDSRSVHPYKMFP-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000245949713	341319424	/nfs/dbraw/zinc/31/94/24/341319424.db2.gz	OZBQOQSVMDVQAX-DOTOQJQBSA-N	0	3	314.433	2.672	20	30		DFEDHN
C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1CO	ZINC000248883941	341389361	/nfs/dbraw/zinc/38/93/61/341389361.db2.gz	DOVVHAFTTDGCSL-WFASDCNBSA-N	0	3	313.319	2.639	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C	ZINC000249515644	341398612	/nfs/dbraw/zinc/39/86/12/341398612.db2.gz	CPVIDBDGMIVIRT-YESZJQIVSA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCn1c(CC)nnc1N1CCN(C2CCC(C)CC2)CC1	ZINC000554627053	341459959	/nfs/dbraw/zinc/45/99/59/341459959.db2.gz	FOUGBBFYTNQLJS-UHFFFAOYSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CCN(CC(C)C)CC1	ZINC000554632166	341460080	/nfs/dbraw/zinc/46/00/80/341460080.db2.gz	DSFKVQVANDCGHG-UHFFFAOYSA-N	0	3	317.481	2.900	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)C(F)(F)F)CC1	ZINC000565903421	341542065	/nfs/dbraw/zinc/54/20/65/341542065.db2.gz	XIHOLSMVCAJGJN-UHFFFAOYSA-N	0	3	307.360	2.525	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](COC)C(C)C	ZINC000567520304	341612095	/nfs/dbraw/zinc/61/20/95/341612095.db2.gz	JYGSBTXDTWGISE-GOEBONIOSA-N	0	3	324.490	2.912	20	30		DFEDHN
C=CC(C)(C)CN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419226945	500573624	/nfs/dbraw/zinc/57/36/24/500573624.db2.gz	JJANQYFIMDPRKK-CYBMUJFWSA-N	0	3	314.351	2.904	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	ZINC000594435780	501029804	/nfs/dbraw/zinc/02/98/04/501029804.db2.gz	DELOJKXKCCLMJA-XIRDDKMYSA-N	0	3	317.408	2.989	20	30		DFEDHN
O=C(Nc1nnc2ccccn21)c1cccc(CN2CCCC2)c1	ZINC000064026555	501038091	/nfs/dbraw/zinc/03/80/91/501038091.db2.gz	MAWBWGMPDKIUHR-UHFFFAOYSA-N	0	3	321.384	2.961	20	30		DFEDHN
COc1cccc([C@H](CNc2cc(C)nc(C#N)c2)N(C)C)c1	ZINC000308281567	533780948	/nfs/dbraw/zinc/78/09/48/533780948.db2.gz	VKOCRCGYOHNSKD-SFHVURJKSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302215970	533834059	/nfs/dbraw/zinc/83/40/59/533834059.db2.gz	OXFDYBYYNKZCRA-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCc2cc(Br)cc(C)c21	ZINC000494644018	517331469	/nfs/dbraw/zinc/33/14/69/517331469.db2.gz	XIKLFEIHLBAREJ-ZDUSSCGKSA-N	0	3	323.234	2.637	20	30		DFEDHN
CCCCOC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000365040807	520804400	/nfs/dbraw/zinc/80/44/00/520804400.db2.gz	QRNRGNQZXQEZGO-LJQANCHMSA-N	0	3	314.429	2.825	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@@]2(CO)CCc3ccccc32)c1	ZINC000305742971	534811808	/nfs/dbraw/zinc/81/18/08/534811808.db2.gz	SYAFHQGTBSIYPR-HXUWFJFHSA-N	0	3	322.408	2.751	20	30		DFEDHN
Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)nc1	ZINC000338361234	525037839	/nfs/dbraw/zinc/03/78/39/525037839.db2.gz	QKXNWVAAEWUPBC-AWEZNQCLSA-N	0	3	308.385	2.941	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@@H](Oc3ccccc3)C2)cc1	ZINC000363840669	526690140	/nfs/dbraw/zinc/69/01/40/526690140.db2.gz	FUCFJZNJIVHQLB-RTBURBONSA-N	0	3	308.381	2.745	20	30		DFEDHN
CC(C)(C[C@H]1CCCN(Cc2ccc(C#N)s2)C1)C(N)=O	ZINC000294855055	527231462	/nfs/dbraw/zinc/23/14/62/527231462.db2.gz	SKROSLVLFQNVSJ-GFCCVEGCSA-N	0	3	305.447	2.733	20	30		DFEDHN
CC(C)[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000332014404	528668105	/nfs/dbraw/zinc/66/81/05/528668105.db2.gz	QAYRSEADAKHYRO-GOSISDBHSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)[C@@]1(CO)CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000293074552	528894820	/nfs/dbraw/zinc/89/48/20/528894820.db2.gz	OLCORSAHOFMASV-SFHVURJKSA-N	0	3	302.418	2.668	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2ccc(Cl)cc2C#N)CC1	ZINC000301526070	529152054	/nfs/dbraw/zinc/15/20/54/529152054.db2.gz	NITLFGVBFNTYKP-CYBMUJFWSA-N	0	3	306.841	2.650	20	30		DFEDHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000246160529	536168252	/nfs/dbraw/zinc/16/82/52/536168252.db2.gz	JDNYWRLVGHDLGG-STQMWFEESA-N	0	3	319.355	2.535	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1coc(C2CC2)n1)C(C)C	ZINC000681636091	545686487	/nfs/dbraw/zinc/68/64/87/545686487.db2.gz	ZQGCERLMCHHKSD-MRXNPFEDSA-N	0	3	317.433	2.980	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000681660796	545694216	/nfs/dbraw/zinc/69/42/16/545694216.db2.gz	ZJQKUHITKXDFMK-KRWDZBQOSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)Cc2ccc(OC)cc2)C1=O	ZINC000685000377	546317289	/nfs/dbraw/zinc/31/72/89/546317289.db2.gz	RMINOGHHFKMUHU-KRWDZBQOSA-N	0	3	302.418	2.694	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824617052	607908134	/nfs/dbraw/zinc/90/81/34/607908134.db2.gz	CIDDNZFTXNRPSO-LBPRGKRZSA-N	0	3	304.357	2.589	20	30		DFEDHN
C#CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)C1CCCCC1	ZINC000823850763	608387728	/nfs/dbraw/zinc/38/77/28/608387728.db2.gz	SJZVKQGIBNEYGZ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)C1CCCCC1	ZINC000823850763	608387730	/nfs/dbraw/zinc/38/77/30/608387730.db2.gz	SJZVKQGIBNEYGZ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181225019	199268325	/nfs/dbraw/zinc/26/83/25/199268325.db2.gz	SONBORYIRZNUFO-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
CCOC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)C1	ZINC000278369291	214122910	/nfs/dbraw/zinc/12/29/10/214122910.db2.gz	CAOLKHBLXPECIA-HOTGVXAUSA-N	0	3	301.390	2.830	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1c2cccc(F)c2CC[C@H]1C	ZINC000272862918	210256990	/nfs/dbraw/zinc/25/69/90/210256990.db2.gz	NFYMQNPTGLVQFH-WBMJQRKESA-N	0	3	311.422	2.640	20	30		DFEDHN
COc1ccc(CNCC2(CO)CC3(CCC3)C2)cc1C#N	ZINC000278548349	214228460	/nfs/dbraw/zinc/22/84/60/214228460.db2.gz	BAWRWSMXXLOJGG-UHFFFAOYSA-N	0	3	300.402	2.599	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1	ZINC000181286479	199275566	/nfs/dbraw/zinc/27/55/66/199275566.db2.gz	RRSGKPMGHNIDPR-LSDHHAIUSA-N	0	3	307.397	2.537	20	30		DFEDHN
Cc1c([C@H]2OCC[C@@H]2NC/C=C/c2ccc(C#N)cc2)cnn1C	ZINC000328628146	231262132	/nfs/dbraw/zinc/26/21/32/231262132.db2.gz	NKAPXGWLEPSKJP-CZHQAMEJSA-N	0	3	322.412	2.733	20	30		DFEDHN
CCC[C@@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596185466	398350513	/nfs/dbraw/zinc/35/05/13/398350513.db2.gz	LYERUBKTYZKOCR-GOSISDBHSA-N	0	3	323.444	2.783	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC=CCC1	ZINC000065930931	398351186	/nfs/dbraw/zinc/35/11/86/398351186.db2.gz	QPZUGRHZDSJRMB-GOSISDBHSA-N	0	3	311.429	2.805	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1	ZINC000596186277	398351507	/nfs/dbraw/zinc/35/15/07/398351507.db2.gz	PMUXUVXYIRJXRA-INIZCTEOSA-N	0	3	314.433	2.577	20	30		DFEDHN
Cc1ccc(C#N)nc1NCC1CCN(c2ccncc2)CC1	ZINC000596186666	398351621	/nfs/dbraw/zinc/35/16/21/398351621.db2.gz	VWKDLHHXILATRH-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](Cc1cccc(C)c1)C1CC1	ZINC000272843631	210241763	/nfs/dbraw/zinc/24/17/63/210241763.db2.gz	JYPITYSKCICLLH-KRWDZBQOSA-N	0	3	307.459	2.507	20	30		DFEDHN
N#Cc1c(Cl)cccc1N1CCC(N2CCCOCC2)CC1	ZINC000596267869	398372495	/nfs/dbraw/zinc/37/24/95/398372495.db2.gz	AOZBTCXIHVOGQH-UHFFFAOYSA-N	0	3	319.836	2.903	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1	ZINC000592023037	398374762	/nfs/dbraw/zinc/37/47/62/398374762.db2.gz	KAPGVGOBHYPJLV-INIZCTEOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccc(Cl)c1	ZINC000578859787	398376558	/nfs/dbraw/zinc/37/65/58/398376558.db2.gz	JGECLXMKMFOASE-JKSUJKDBSA-N	0	3	309.841	2.587	20	30		DFEDHN
C=CCN1CCC(NC(=O)CNc2ccccc2Cl)CC1	ZINC000592068461	398379303	/nfs/dbraw/zinc/37/93/03/398379303.db2.gz	ODEXRZYGVHIJSH-UHFFFAOYSA-N	0	3	307.825	2.519	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NCc1ccncc1C#N	ZINC000592088508	398382436	/nfs/dbraw/zinc/38/24/36/398382436.db2.gz	XSNVOLYVJBMCTL-UHFFFAOYSA-N	0	3	308.429	2.953	20	30		DFEDHN
Cn1cc(CN2CCC(CCC#N)CC2)c(-c2cccnc2)n1	ZINC000579839647	398383105	/nfs/dbraw/zinc/38/31/05/398383105.db2.gz	IMPSRRGRKARIEJ-UHFFFAOYSA-N	0	3	309.417	2.998	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)NCC1(CC#N)CC1	ZINC000579788733	398383138	/nfs/dbraw/zinc/38/31/38/398383138.db2.gz	FFIMVPFVOCZIIP-UHFFFAOYSA-N	0	3	316.405	2.572	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@H]1OC(F)F	ZINC000579974356	398384542	/nfs/dbraw/zinc/38/45/42/398384542.db2.gz	UEHXICLJSSCGAK-CHWSQXEVSA-N	0	3	304.381	2.551	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181331579	199282048	/nfs/dbraw/zinc/28/20/48/199282048.db2.gz	PTLIUWGJGQZUKS-WMLDXEAASA-N	0	3	322.412	2.669	20	30		DFEDHN
CN(c1ccccc1CNCC1(C#N)CC1)C1CCN(C)CC1	ZINC000580751308	398385194	/nfs/dbraw/zinc/38/51/94/398385194.db2.gz	QBJPZQXXYAJVLG-UHFFFAOYSA-N	0	3	312.461	2.610	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000581308338	398390011	/nfs/dbraw/zinc/39/00/11/398390011.db2.gz	ILCCRAPKJATXTA-OLZOCXBDSA-N	0	3	304.356	2.898	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC1(c2cccc(C)c2)CCC1	ZINC000592146062	398391094	/nfs/dbraw/zinc/39/10/94/398391094.db2.gz	MQSLANASMAVIIZ-MRXNPFEDSA-N	0	3	313.445	2.972	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1	ZINC000592154749	398393304	/nfs/dbraw/zinc/39/33/04/398393304.db2.gz	VHTRTVANIHDDHE-OAGGEKHMSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#Cc1cccc(OCCN[C@H](CCO)c2ccccc2F)c1	ZINC000592162357	398394867	/nfs/dbraw/zinc/39/48/67/398394867.db2.gz	YBMFWHHEFDFPPE-GOSISDBHSA-N	0	3	314.360	2.789	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1cc(C#N)cs1)Cc1ccccc1	ZINC000084167700	398394918	/nfs/dbraw/zinc/39/49/18/398394918.db2.gz	QTZAKYHGHYRNGE-HNNXBMFYSA-N	0	3	313.426	2.522	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCCC[C@H]2C2CCC2)cc1	ZINC000592197157	398400356	/nfs/dbraw/zinc/40/03/56/398400356.db2.gz	BLYZZZFVVVMAFD-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C#N)ccc1OC)[C@H]1CCN(C)C1	ZINC000592224297	398404474	/nfs/dbraw/zinc/40/44/74/398404474.db2.gz	KXZKGFZCCDUFIL-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@H]1CCN(C)C1	ZINC000592265341	398409973	/nfs/dbraw/zinc/40/99/73/398409973.db2.gz	ZKNXSXNHTMSZKZ-INIZCTEOSA-N	0	3	300.406	2.815	20	30		DFEDHN
N#Cc1cccnc1NCC1CCN(Cc2ccncc2)CC1	ZINC000596439770	398412069	/nfs/dbraw/zinc/41/20/69/398412069.db2.gz	FPBAZYQRNKOJHR-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
CN(CC1CN(C)C1)c1c(C#N)cnc2ccc(Cl)cc21	ZINC000596452777	398416443	/nfs/dbraw/zinc/41/64/43/398416443.db2.gz	GENZPBHSDZLBBT-UHFFFAOYSA-N	0	3	300.793	2.758	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C#N)c1	ZINC000596464454	398420229	/nfs/dbraw/zinc/42/02/29/398420229.db2.gz	SMYFICRFKXZCON-GOEBONIOSA-N	0	3	300.406	2.952	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H]2CN(CC)CCO2)cc1Cl	ZINC000592386080	398419258	/nfs/dbraw/zinc/41/92/58/398419258.db2.gz	IYILANRVWAYQSB-HNNXBMFYSA-N	0	3	324.852	2.715	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC)c3ncccc23)CC1	ZINC000067232811	398424790	/nfs/dbraw/zinc/42/47/90/398424790.db2.gz	IAKFMLYZJVAIFT-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000596479194	398425173	/nfs/dbraw/zinc/42/51/73/398425173.db2.gz	MCMLBKOJPFWAGC-OAHLLOKOSA-N	0	3	306.454	2.634	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000067266917	398425887	/nfs/dbraw/zinc/42/58/87/398425887.db2.gz	WAOCZLFSASUOCR-DOTOQJQBSA-N	0	3	304.434	2.695	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000023899063	398427054	/nfs/dbraw/zinc/42/70/54/398427054.db2.gz	BOILLPOUBNRRKS-UHFFFAOYSA-N	0	3	309.369	2.637	20	30		DFEDHN
CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)NCc1cccs1	ZINC000592398431	398421250	/nfs/dbraw/zinc/42/12/50/398421250.db2.gz	YYLUQCIIMFROHG-GUTXKFCHSA-N	0	3	305.447	2.815	20	30		DFEDHN
Cc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N(C)C)cc1	ZINC000067383161	398431924	/nfs/dbraw/zinc/43/19/24/398431924.db2.gz	PYSBLJJJTNKJKD-KRWDZBQOSA-N	0	3	309.417	2.988	20	30		DFEDHN
N#Cc1cccc(CN2CCC(c3nnc4ccccn43)CC2)c1	ZINC000067443303	398434913	/nfs/dbraw/zinc/43/49/13/398434913.db2.gz	DNORTGNMIIISDP-UHFFFAOYSA-N	0	3	317.396	2.981	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H](NCc2cnc3c(C#N)cnn3c2)C1	ZINC000592504212	398436431	/nfs/dbraw/zinc/43/64/31/398436431.db2.gz	QTSHZCWBIWTLPJ-HUUCEWRRSA-N	0	3	315.446	2.755	20	30		DFEDHN
Cn1ccnc1[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CCOCC1	ZINC000585792276	398447617	/nfs/dbraw/zinc/44/76/17/398447617.db2.gz	KMJOYRUPMAVTJV-VNQPRFMTSA-N	0	3	302.422	2.560	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000286740453	219139522	/nfs/dbraw/zinc/13/95/22/219139522.db2.gz	FDXMRYHVDOXQEX-QGZVFWFLSA-N	0	3	307.401	2.906	20	30		DFEDHN
Cc1ccc(C#N)c(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1	ZINC000286740725	219140322	/nfs/dbraw/zinc/14/03/22/219140322.db2.gz	QWSGEBSQUHWQCK-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
CN1CCC[C@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302655334	530063975	/nfs/dbraw/zinc/06/39/75/530063975.db2.gz	KSEOFMYXBOYGMX-ZDUSSCGKSA-N	0	3	311.345	2.521	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1ccco1	ZINC000596597523	398457476	/nfs/dbraw/zinc/45/74/76/398457476.db2.gz	AUTDAQPJIZQCEQ-ZQIUZPCESA-N	0	3	318.421	2.654	20	30		DFEDHN
N#Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)nc2ccccc12	ZINC000089603424	398459609	/nfs/dbraw/zinc/45/96/09/398459609.db2.gz	HUUAQUJUUJWYFW-MRXNPFEDSA-N	0	3	322.412	2.772	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC1CCN([C@H]2CCOC2)CC1	ZINC000089602805	398459710	/nfs/dbraw/zinc/45/97/10/398459710.db2.gz	OQMNAFDKINVDTF-INIZCTEOSA-N	0	3	322.412	2.772	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1[C@@H]1CCCO1	ZINC000586833904	398466028	/nfs/dbraw/zinc/46/60/28/398466028.db2.gz	WCELTMUKYBTRQM-BZSNNMDCSA-N	0	3	312.413	2.929	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)C1	ZINC000587995525	398474195	/nfs/dbraw/zinc/47/41/95/398474195.db2.gz	XFNDIQHRIMMBHA-PWSUYJOCSA-N	0	3	303.797	2.611	20	30		DFEDHN
N#Cc1ccnc(N2CCN(CCCc3ccccc3)CC2)c1	ZINC000029447843	398485285	/nfs/dbraw/zinc/48/52/85/398485285.db2.gz	KTGNKMUQSXLMSF-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000596757062	398493987	/nfs/dbraw/zinc/49/39/87/398493987.db2.gz	HVXWZAVVVHJASV-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC=CCC1	ZINC000068310518	398494118	/nfs/dbraw/zinc/49/41/18/398494118.db2.gz	QPZUGRHZDSJRMB-SFHVURJKSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=CCC[C@@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000279608714	215002261	/nfs/dbraw/zinc/00/22/61/215002261.db2.gz	FLBHCXBMSUWVTB-ZWNOBZJWSA-N	0	3	311.223	2.920	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000030532679	398503401	/nfs/dbraw/zinc/50/34/01/398503401.db2.gz	MTXPCQDMQRCQHD-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC[C@@H](C)C1	ZINC000596801659	398504442	/nfs/dbraw/zinc/50/44/42/398504442.db2.gz	PWFSNOMEUCGZAQ-NEPJUHHUSA-N	0	3	321.371	2.687	20	30		DFEDHN
COc1ccc([C@@H](CN(C)C)NC(=O)CCCCCC#N)cc1	ZINC000588750290	398505590	/nfs/dbraw/zinc/50/55/90/398505590.db2.gz	OUQUAQXXMXRFDO-QGZVFWFLSA-N	0	3	317.433	2.888	20	30		DFEDHN
Cc1ccc(C#N)cc1OC[C@H](O)CN(C)Cc1ccccc1	ZINC000305339642	398505851	/nfs/dbraw/zinc/50/58/51/398505851.db2.gz	SMQMIOFUGBHKNQ-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
COc1cc(C#N)ccc1CN(CCO)CCc1ccccc1	ZINC000305715879	398506618	/nfs/dbraw/zinc/50/66/18/398506618.db2.gz	HFZILYVBZICTFH-UHFFFAOYSA-N	0	3	310.397	2.604	20	30		DFEDHN
CC(C)Cn1ccc2cc(NC(=O)[C@@]3(C#N)CCNC3)ccc21	ZINC000592958021	398511016	/nfs/dbraw/zinc/51/10/16/398511016.db2.gz	TVZLJJFXYDWNFL-GOSISDBHSA-N	0	3	310.401	2.739	20	30		DFEDHN
COC(=O)c1ccc(-c2cccc(OCCN(C)C)c2)cc1C#N	ZINC000592985117	398514177	/nfs/dbraw/zinc/51/41/77/398514177.db2.gz	UDMOYOTWZCDSHF-UHFFFAOYSA-N	0	3	324.380	2.952	20	30		DFEDHN
CCc1cccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000592997802	398515995	/nfs/dbraw/zinc/51/59/95/398515995.db2.gz	IRWNJWWSWYEPEV-LJQANCHMSA-N	0	3	324.424	2.845	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCCCC2)CCN1C	ZINC000596861438	398516675	/nfs/dbraw/zinc/51/66/75/398516675.db2.gz	LLFKWACIXKOYOP-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1[N+](=O)[O-])CCOCC2	ZINC000593035515	398527749	/nfs/dbraw/zinc/52/77/49/398527749.db2.gz	QCQAANWTUAAXEX-CYBMUJFWSA-N	0	3	315.373	2.857	20	30		DFEDHN
CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000596927747	398531037	/nfs/dbraw/zinc/53/10/37/398531037.db2.gz	HOIIFPLZROLQNC-MRXNPFEDSA-N	0	3	300.406	2.815	20	30		DFEDHN
C[C@H](CC#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000596978315	398539569	/nfs/dbraw/zinc/53/95/69/398539569.db2.gz	ZKEHUIFHWBILCO-OAHLLOKOSA-N	0	3	311.429	2.585	20	30		DFEDHN
N#Cc1cccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1	ZINC000589281500	398543107	/nfs/dbraw/zinc/54/31/07/398543107.db2.gz	VIQIJINIXNGNAJ-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN(CCC#N)CC1CC1	ZINC000596996295	398543196	/nfs/dbraw/zinc/54/31/96/398543196.db2.gz	QTRCFRYDMCCJRB-DOTOQJQBSA-N	0	3	302.422	2.513	20	30		DFEDHN
C=CCOc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1	ZINC000091855691	398547396	/nfs/dbraw/zinc/54/73/96/398547396.db2.gz	CBVDAKRIFUCKKD-IRXDYDNUSA-N	0	3	305.443	2.958	20	30		DFEDHN
CCN1CCCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1	ZINC000320116034	398545501	/nfs/dbraw/zinc/54/55/01/398545501.db2.gz	OJZRGYGEWYVCLZ-LLVKDONJSA-N	0	3	312.339	2.893	20	30		DFEDHN
Cc1cc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1C#N	ZINC000589521402	398558967	/nfs/dbraw/zinc/55/89/67/398558967.db2.gz	ZFXRBRYBTGJKFC-ZWKOTPCHSA-N	0	3	314.429	2.667	20	30		DFEDHN
C[C@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1	ZINC000593184103	398566828	/nfs/dbraw/zinc/56/68/28/398566828.db2.gz	VKKKBSLZXQLGFE-SUMWQHHRSA-N	0	3	307.397	2.985	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC(C)(C#N)CC1	ZINC000597083377	398563627	/nfs/dbraw/zinc/56/36/27/398563627.db2.gz	HENPXXOHFIRGOU-LSDHHAIUSA-N	0	3	302.422	2.513	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCO[C@@H](C)C2)CC1	ZINC000330859547	398570006	/nfs/dbraw/zinc/57/00/06/398570006.db2.gz	VPRORZQFQTZJBE-JKSUJKDBSA-N	0	3	323.481	2.736	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)nc(C)n1	ZINC000041574177	398569162	/nfs/dbraw/zinc/56/91/62/398569162.db2.gz	YJXAAQATOXKULF-ZDUSSCGKSA-N	0	3	310.313	2.800	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)n(C)c1C	ZINC000589735984	398573137	/nfs/dbraw/zinc/57/31/37/398573137.db2.gz	ZDKSEYRQGSBEGR-GOSISDBHSA-N	0	3	323.396	2.769	20	30		DFEDHN
CSc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000337214736	398575376	/nfs/dbraw/zinc/57/53/76/398575376.db2.gz	FQQLMHITTFCJET-OLZOCXBDSA-N	0	3	305.447	2.820	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1=O	ZINC000337178689	398575586	/nfs/dbraw/zinc/57/55/86/398575586.db2.gz	KNIZPOWJCIHARU-KDOFPFPSSA-N	0	3	324.428	2.618	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2N[C@H]2CCC[C@@H](C#N)C2)cn1	ZINC000597160395	398579424	/nfs/dbraw/zinc/57/94/24/398579424.db2.gz	BVKSNWQSKCMVCQ-XBVQOTNRSA-N	0	3	302.422	2.966	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1cn(C)nc1C(=O)OCC	ZINC000597174541	398582222	/nfs/dbraw/zinc/58/22/22/398582222.db2.gz	XOLXDBQITZQNDH-UKRRQHHQSA-N	0	3	305.422	2.821	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1F	ZINC000597176560	398582553	/nfs/dbraw/zinc/58/25/53/398582553.db2.gz	JIMKVTNLKDYXQW-CYBMUJFWSA-N	0	3	319.355	2.537	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCC[C@H]1C#N	ZINC000597195623	398587262	/nfs/dbraw/zinc/58/72/62/398587262.db2.gz	LNBXELGMKYZBDG-CAOSSQGBSA-N	0	3	302.422	2.560	20	30		DFEDHN
CC(C)(C)OCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000590005095	398589387	/nfs/dbraw/zinc/58/93/87/398589387.db2.gz	MTXLUNBHGSPEHH-OAHLLOKOSA-N	0	3	303.406	2.612	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000593313704	398595860	/nfs/dbraw/zinc/59/58/60/398595860.db2.gz	LXIJMPKVMSBOJT-MRXNPFEDSA-N	0	3	314.433	2.560	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(c3n[nH]c(C)n3)CC2)cc1	ZINC000092736834	398597911	/nfs/dbraw/zinc/59/79/11/398597911.db2.gz	NIXLXVSDYZOCOB-UHFFFAOYSA-N	0	3	324.428	2.895	20	30		DFEDHN
N#Cc1ccc2ncc(CN3C[C@]45COC[C@@]4(C3)CCCC5)n2c1	ZINC000597247804	398606693	/nfs/dbraw/zinc/60/66/93/398606693.db2.gz	CXRMFIXPBSVQPK-KDURUIRLSA-N	0	3	322.412	2.599	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1	ZINC000590186676	398604265	/nfs/dbraw/zinc/60/42/65/398604265.db2.gz	MUSXOKOXLLAMMX-QGZVFWFLSA-N	0	3	311.429	2.851	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC1(C#N)CC1	ZINC000590188319	398604298	/nfs/dbraw/zinc/60/42/98/398604298.db2.gz	SUXRZYUKTFITNQ-UHFFFAOYSA-N	0	3	321.371	2.549	20	30		DFEDHN
CN(C)CCOc1ccc(CN(CCC#N)CC2CC2)cc1	ZINC000093091273	398619104	/nfs/dbraw/zinc/61/91/04/398619104.db2.gz	YENBONURWAYVPY-UHFFFAOYSA-N	0	3	301.434	2.753	20	30		DFEDHN
N#CC1(CC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1	ZINC000590375275	398617715	/nfs/dbraw/zinc/61/77/15/398617715.db2.gz	PDEDDQDUMGSBTA-HXUWFJFHSA-N	0	3	323.440	2.805	20	30		DFEDHN
CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000593426277	398624836	/nfs/dbraw/zinc/62/48/36/398624836.db2.gz	ICLUGPMQNZFOJW-CQSZACIVSA-N	0	3	307.825	2.780	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCC1(C#N)CCCC1	ZINC000593432212	398626596	/nfs/dbraw/zinc/62/65/96/398626596.db2.gz	LFZJPVVMIWLDCT-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2(Cc3ccccc3)CCC2)CC1	ZINC000152452487	186074775	/nfs/dbraw/zinc/07/47/75/186074775.db2.gz	QZXVRKJKBMWNSJ-UHFFFAOYSA-N	0	3	324.468	2.861	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1ccccc1NC1CCN(C)CC1	ZINC000593444716	398631861	/nfs/dbraw/zinc/63/18/61/398631861.db2.gz	CXXPSSZXVYBXRW-ZDUSSCGKSA-N	0	3	300.406	2.681	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)O	ZINC000093414425	398636788	/nfs/dbraw/zinc/63/67/88/398636788.db2.gz	BLCRRIIBAANDMO-UHFFFAOYSA-N	0	3	312.417	2.666	20	30		DFEDHN
Cn1cc([C@@H](NCCCC(C)(C)C#N)C2(CO)CCC2)cn1	ZINC000590602542	398638361	/nfs/dbraw/zinc/63/83/61/398638361.db2.gz	MSKGTYKIBTYUDB-OAHLLOKOSA-N	0	3	304.438	2.543	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000177909440	186202661	/nfs/dbraw/zinc/20/26/61/186202661.db2.gz	NXHCWESYKURTGM-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000593484002	398643555	/nfs/dbraw/zinc/64/35/55/398643555.db2.gz	KOGMUBRUHOBUPW-UMVBOHGHSA-N	0	3	305.447	2.797	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1cc(C#N)ccc1Br	ZINC000191839746	186262284	/nfs/dbraw/zinc/26/22/84/186262284.db2.gz	ULXCXRZONWRNSM-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#Cc1c(Cl)cccc1NC1CCN([C@@H]2CCOC2)CC1	ZINC000590694390	398653476	/nfs/dbraw/zinc/65/34/76/398653476.db2.gz	HFZZKUAXGFMANS-CYBMUJFWSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#CC1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCCC1	ZINC000371253685	398654750	/nfs/dbraw/zinc/65/47/50/398654750.db2.gz	MQSAGKGDRWALNJ-PIIMJCKOSA-N	0	3	323.440	2.707	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCN2CCCO)n1	ZINC000590707584	398655924	/nfs/dbraw/zinc/65/59/24/398655924.db2.gz	IZWHWLQXOONLLT-HNNXBMFYSA-N	0	3	316.449	2.509	20	30		DFEDHN
CC[C@H](C#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000593577175	398657640	/nfs/dbraw/zinc/65/76/40/398657640.db2.gz	CAHGTVYKVGQYSO-MRXNPFEDSA-N	0	3	314.433	2.696	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1	ZINC000381078753	398659651	/nfs/dbraw/zinc/65/96/51/398659651.db2.gz	SAIIJVXEXWZTFD-HLCARVAJSA-N	0	3	311.429	2.705	20	30		DFEDHN
C=CCOc1ccc(CNC[C@](C)(O)CCOC)cc1Cl	ZINC000172069858	198035001	/nfs/dbraw/zinc/03/50/01/198035001.db2.gz	MNKOWXIGQDAYFI-MRXNPFEDSA-N	0	3	313.825	2.782	20	30		DFEDHN
CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(Cl)cc1	ZINC000593668824	398668547	/nfs/dbraw/zinc/66/85/47/398668547.db2.gz	GWXZLGSCIXCLMQ-MFKMUULPSA-N	0	3	308.765	2.610	20	30		DFEDHN
C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000597627472	398671390	/nfs/dbraw/zinc/67/13/90/398671390.db2.gz	URVPLZINGFAWLT-WBVHZDCISA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccccc2CC)CC1	ZINC000172703071	198139290	/nfs/dbraw/zinc/13/92/90/198139290.db2.gz	MOGXBFQZMWQOEC-UHFFFAOYSA-N	0	3	301.434	2.699	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000073665071	398693335	/nfs/dbraw/zinc/69/33/35/398693335.db2.gz	NFTDLQNXZOUQAT-GJZGRUSLSA-N	0	3	314.433	2.793	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N2CCc3cc(C#N)ccc32)c1	ZINC000597776806	398693896	/nfs/dbraw/zinc/69/38/96/398693896.db2.gz	NGLVIUUMYVJXPD-UHFFFAOYSA-N	0	3	305.381	2.823	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)cc1	ZINC000182082849	199384163	/nfs/dbraw/zinc/38/41/63/199384163.db2.gz	IINQQKGJBJZRTR-OAHLLOKOSA-N	0	3	307.397	2.809	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1	ZINC000174200484	198304716	/nfs/dbraw/zinc/30/47/16/198304716.db2.gz	GRPXUDRPIHBGPI-UHFFFAOYSA-N	0	3	317.389	2.537	20	30		DFEDHN
COc1ccc(CCCNCc2ccc(C#N)o2)cc1OC	ZINC000174308266	198318354	/nfs/dbraw/zinc/31/83/54/198318354.db2.gz	GJEBUUSIHZWDQZ-UHFFFAOYSA-N	0	3	300.358	2.891	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000593984451	398713874	/nfs/dbraw/zinc/71/38/74/398713874.db2.gz	YPMCZIUGZDJOFM-VKJFTORMSA-N	0	3	313.445	2.678	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(N2CCOC[C@H]2C)CC1	ZINC000593988161	398714801	/nfs/dbraw/zinc/71/48/01/398714801.db2.gz	HBRUPZZPUVUCIV-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)c1	ZINC000046835919	398720487	/nfs/dbraw/zinc/72/04/87/398720487.db2.gz	OCGXGUZEZRTZHD-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000597925947	398722802	/nfs/dbraw/zinc/72/28/02/398722802.db2.gz	ZDAYTLYQXDAWSQ-YOEHRIQHSA-N	0	3	313.445	2.726	20	30		DFEDHN
C[C@@]1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000597925657	398722876	/nfs/dbraw/zinc/72/28/76/398722876.db2.gz	PJNJXPZWCNNMLF-APWZRJJASA-N	0	3	312.413	2.786	20	30		DFEDHN
C=CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)COC	ZINC000597954758	398726993	/nfs/dbraw/zinc/72/69/93/398726993.db2.gz	MZUNZWQAXDAAIY-WBVHZDCISA-N	0	3	300.402	2.808	20	30		DFEDHN
C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1	ZINC000594040946	398728651	/nfs/dbraw/zinc/72/86/51/398728651.db2.gz	HWKAPBVSFRVRAP-XHDPSFHLSA-N	0	3	321.371	2.888	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(c2ncc(C#N)cc2F)C1	ZINC000591148881	398731819	/nfs/dbraw/zinc/73/18/19/398731819.db2.gz	WDZMNBUXQAACDR-MRXNPFEDSA-N	0	3	310.376	2.803	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccs1	ZINC000047010902	398732689	/nfs/dbraw/zinc/73/26/89/398732689.db2.gz	ROBPIBUOVMUCQT-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
Cc1cc(N2CC[C@]3(C2)CCCN(C)C3)c(C#N)cc1[N+](=O)[O-]	ZINC000591162372	398734121	/nfs/dbraw/zinc/73/41/21/398734121.db2.gz	VWSHEKNIFXZELA-QGZVFWFLSA-N	0	3	314.389	2.697	20	30		DFEDHN
CCC1(CC)[C@@H](NCc2cnc3ccc(C#N)cn23)C[C@@H]1OC	ZINC000131406463	283083660	/nfs/dbraw/zinc/08/36/60/283083660.db2.gz	VIELJRSLBHCTPP-HOTGVXAUSA-N	0	3	312.417	2.889	20	30		DFEDHN
CCC1(CC)[C@H](OC)C[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000131406877	283083880	/nfs/dbraw/zinc/08/38/80/283083880.db2.gz	VIELJRSLBHCTPP-JKSUJKDBSA-N	0	3	312.417	2.889	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000598016294	398737629	/nfs/dbraw/zinc/73/76/29/398737629.db2.gz	KNMVCLFGRNOAKY-OCCSQVGLSA-N	0	3	302.374	2.735	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594071860	398737729	/nfs/dbraw/zinc/73/77/29/398737729.db2.gz	CFKVEZKZNHZKJD-HOTGVXAUSA-N	0	3	316.380	2.836	20	30		DFEDHN
CC[C@@H](C#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000594091103	398741763	/nfs/dbraw/zinc/74/17/63/398741763.db2.gz	JQNOEBRHVPRWFL-QJPTWQEYSA-N	0	3	319.371	2.656	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000598089444	398752114	/nfs/dbraw/zinc/75/21/14/398752114.db2.gz	VSENWWSHWQDHRM-USXIJHARSA-N	0	3	303.450	2.982	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(N3CCNC[C@@](C)(F)C3)c2c1	ZINC000591442137	398761588	/nfs/dbraw/zinc/76/15/88/398761588.db2.gz	GBECUDZIDZUHPT-GOSISDBHSA-N	0	3	312.392	2.861	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594195309	398762670	/nfs/dbraw/zinc/76/26/70/398762670.db2.gz	FFSMSXRAEXISDR-MANSERQUSA-N	0	3	323.440	2.795	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1Cl	ZINC000594194891	398762742	/nfs/dbraw/zinc/76/27/42/398762742.db2.gz	AFZUPSPZLPILRD-HOTGVXAUSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1Cl	ZINC000594194893	398763076	/nfs/dbraw/zinc/76/30/76/398763076.db2.gz	AFZUPSPZLPILRD-JKSUJKDBSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1	ZINC000598205981	398768387	/nfs/dbraw/zinc/76/83/87/398768387.db2.gz	CUXQDRAPYRPTCF-XDNAFOTISA-N	0	3	307.397	2.793	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC(C)CC1	ZINC000594234665	398770503	/nfs/dbraw/zinc/77/05/03/398770503.db2.gz	WCJIOECBPAJHEM-MRXNPFEDSA-N	0	3	313.445	2.585	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594229527	398769757	/nfs/dbraw/zinc/76/97/57/398769757.db2.gz	GBLDOVPQJHMQSJ-HOTGVXAUSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](NC(=O)[C@@]1(C#N)CCNC1)c1ccc(Cl)cc1Cl	ZINC000591592277	398774567	/nfs/dbraw/zinc/77/45/67/398774567.db2.gz	NYRKPVTWTVUFJV-LKFCYVNXSA-N	0	3	312.200	2.674	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)CCCC#N	ZINC000591592333	398774647	/nfs/dbraw/zinc/77/46/47/398774647.db2.gz	PGKOFHLJTZTEHQ-ZDUSSCGKSA-N	0	3	314.216	2.973	20	30		DFEDHN
C[C@@H](NC(=O)[C@@]1(C#N)CCNC1)c1ccc(Cl)cc1Cl	ZINC000591592280	398774658	/nfs/dbraw/zinc/77/46/58/398774658.db2.gz	NYRKPVTWTVUFJV-YMTOWFKASA-N	0	3	312.200	2.674	20	30		DFEDHN
N#C[C@@]1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCNC1	ZINC000591611998	398775831	/nfs/dbraw/zinc/77/58/31/398775831.db2.gz	UWXXGMYQSWHJGU-WFASDCNBSA-N	0	3	324.211	2.600	20	30		DFEDHN
CCCCN(Cc1ccccc1Cl)C(=O)[C@]1(C#N)CCNC1	ZINC000591606523	398776129	/nfs/dbraw/zinc/77/61/29/398776129.db2.gz	WNRCCTROWJGBHJ-KRWDZBQOSA-N	0	3	319.836	2.972	20	30		DFEDHN
Cc1sc(NC(=O)[C@]2(C#N)CCNC2)nc1-c1ccccc1	ZINC000591591638	398774694	/nfs/dbraw/zinc/77/46/94/398774694.db2.gz	JPNLYKYSSLNOJW-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
COc1ccccc1-c1cccc(NC(=O)[C@]2(C#N)CCNC2)c1	ZINC000591594017	398774797	/nfs/dbraw/zinc/77/47/97/398774797.db2.gz	NQFQJNSYTMJZDC-IBGZPJMESA-N	0	3	321.380	2.804	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)C2(CCCCC2)C1	ZINC000081597418	192298862	/nfs/dbraw/zinc/29/88/62/192298862.db2.gz	OBSVUYQYRVGCEO-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
Cc1cc(CNC(=O)[C@]2(C#N)CCNC2)ccc1-c1ccccc1	ZINC000591636943	398777746	/nfs/dbraw/zinc/77/77/46/398777746.db2.gz	VCYZDCZUUFOSJK-FQEVSTJZSA-N	0	3	319.408	2.782	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2	ZINC000594282862	398779019	/nfs/dbraw/zinc/77/90/19/398779019.db2.gz	ANHDERDSWVIZFA-MSOLQXFVSA-N	0	3	324.428	2.600	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000598264838	398779978	/nfs/dbraw/zinc/77/99/78/398779978.db2.gz	QVGXTWUAMPKJET-LBPRGKRZSA-N	0	3	321.371	2.687	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728476	398782577	/nfs/dbraw/zinc/78/25/77/398782577.db2.gz	ZTNTZJMSSUUVOD-KGLIPLIRSA-N	0	3	318.371	2.824	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(C(N)=O)nc1	ZINC000360650965	283192825	/nfs/dbraw/zinc/19/28/25/283192825.db2.gz	ZWPKJOKRTJPZNU-QGZVFWFLSA-N	0	3	320.396	2.609	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000591764422	398785564	/nfs/dbraw/zinc/78/55/64/398785564.db2.gz	PJOQRLAYNWXZOO-AWEZNQCLSA-N	0	3	312.335	2.892	20	30		DFEDHN
CC(C)[C@H](CCO)NCc1cc(C#N)ccc1Br	ZINC000276942703	213192021	/nfs/dbraw/zinc/19/20/21/213192021.db2.gz	SJNUYKGOPWVVRW-AWEZNQCLSA-N	0	3	311.223	2.817	20	30		DFEDHN
COCC(C)(C)N1CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000591829712	398793201	/nfs/dbraw/zinc/79/32/01/398793201.db2.gz	OBVRCPFXVIDNJA-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1	ZINC000594424386	398796990	/nfs/dbraw/zinc/79/69/90/398796990.db2.gz	CMHJWABKGGHTPX-GFCCVEGCSA-N	0	3	310.195	2.799	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OC)cc1	ZINC000594424923	398797848	/nfs/dbraw/zinc/79/78/48/398797848.db2.gz	DQRGYPFXQBAILD-HOTGVXAUSA-N	0	3	303.406	2.674	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000591868969	398798702	/nfs/dbraw/zinc/79/87/02/398798702.db2.gz	BERPBDXOMGLAIK-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCOC1	ZINC000276885016	213155690	/nfs/dbraw/zinc/15/56/90/213155690.db2.gz	JJTVCUQNGLMHDM-ZYHUDNBSSA-N	0	3	309.207	2.835	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594431453	398799501	/nfs/dbraw/zinc/79/95/01/398799501.db2.gz	MZPZSXGSLCOTIZ-JKSUJKDBSA-N	0	3	317.433	2.598	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594432927	398800154	/nfs/dbraw/zinc/80/01/54/398800154.db2.gz	HIDSHFPZVWCELL-DLBZAZTESA-N	0	3	301.434	2.877	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(CCc1ccc(F)cc1)C1CC1	ZINC000594433200	398800245	/nfs/dbraw/zinc/80/02/45/398800245.db2.gz	DGJPSTXBVGMXSM-QGZVFWFLSA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cccc(COCC2CC2)c1	ZINC000594431853	398800261	/nfs/dbraw/zinc/80/02/61/398800261.db2.gz	RDCFFUYFOWWOJH-QGZVFWFLSA-N	0	3	315.417	2.963	20	30		DFEDHN
CCC(CC)c1cc(CNC(=O)[C@H](N)CCCCC#N)on1	ZINC000594432454	398800718	/nfs/dbraw/zinc/80/07/18/398800718.db2.gz	ANBHYLCFWPWQFI-CQSZACIVSA-N	0	3	306.410	2.606	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCOc2ccc(F)cc21	ZINC000594431866	398800556	/nfs/dbraw/zinc/80/05/56/398800556.db2.gz	RLWXUKKRSHPTTN-CABCVRRESA-N	0	3	319.380	2.567	20	30		DFEDHN
COc1c(C)cc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1C	ZINC000594435245	398801275	/nfs/dbraw/zinc/80/12/75/398801275.db2.gz	CIFKQORVRDILHB-MRXNPFEDSA-N	0	3	317.433	2.682	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCCc1c[nH]c2ccccc12	ZINC000594434835	398801325	/nfs/dbraw/zinc/80/13/25/398801325.db2.gz	UVRPXEQBVCUOMH-INIZCTEOSA-N	0	3	312.417	2.628	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000594433968	398801396	/nfs/dbraw/zinc/80/13/96/398801396.db2.gz	VHPCKBHLFMFHJQ-OAHLLOKOSA-N	0	3	319.836	2.899	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2[nH]1	ZINC000594438613	398802254	/nfs/dbraw/zinc/80/22/54/398802254.db2.gz	OVIYMVSABDIPFN-CHWSQXEVSA-N	0	3	313.405	2.541	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H](Nc2ccccc2)C1	ZINC000594436800	398802044	/nfs/dbraw/zinc/80/20/44/398802044.db2.gz	JHEVEYWRTPZHBQ-IRXDYDNUSA-N	0	3	314.433	2.501	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCCc1ccc(Cl)cc1	ZINC000594440212	398803437	/nfs/dbraw/zinc/80/34/37/398803437.db2.gz	WSRCWTDNSYKVFS-HNNXBMFYSA-N	0	3	307.825	2.800	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000594445668	398804658	/nfs/dbraw/zinc/80/46/58/398804658.db2.gz	JTYYJHWFGKUPGN-AGIUHOORSA-N	0	3	319.371	2.883	20	30		DFEDHN
CO[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl	ZINC000594446492	398804734	/nfs/dbraw/zinc/80/47/34/398804734.db2.gz	ULXXSLUUPLWFMQ-HUUCEWRRSA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1	ZINC000594447077	398804894	/nfs/dbraw/zinc/80/48/94/398804894.db2.gz	SOYWGLDMNRROAN-KRWDZBQOSA-N	0	3	317.408	2.976	20	30		DFEDHN
Cc1nc2c(n1[C@H]1CCN(Cc3cc(C#N)n(C)c3)C1)CCCC2	ZINC000276802360	213106409	/nfs/dbraw/zinc/10/64/09/213106409.db2.gz	VUMUYZKMBQIXHU-INIZCTEOSA-N	0	3	323.444	2.728	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccccc1OCC1CC1	ZINC000594447865	398805504	/nfs/dbraw/zinc/80/55/04/398805504.db2.gz	WIQTYIYXTDHUIG-INIZCTEOSA-N	0	3	315.417	2.503	20	30		DFEDHN
CCCn1nc(C)c(CNCCOc2ccc(C#N)cc2)c1C	ZINC000151005093	283273773	/nfs/dbraw/zinc/27/37/73/283273773.db2.gz	CVYLZBSAJDRWSX-UHFFFAOYSA-N	0	3	312.417	2.950	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCC(F)(F)CC1	ZINC000594456000	398805900	/nfs/dbraw/zinc/80/59/00/398805900.db2.gz	HEGOMCDTILYJSF-DGCLKSJQSA-N	0	3	301.381	2.728	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc(C(F)(F)F)cs1	ZINC000594463947	398807143	/nfs/dbraw/zinc/80/71/43/398807143.db2.gz	MBRUYXJZCFPBPD-SSDOTTSWSA-N	0	3	306.313	2.512	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)ns1	ZINC000594468759	398807154	/nfs/dbraw/zinc/80/71/54/398807154.db2.gz	RIVAVUGUHKJKOF-SECBINFHSA-N	0	3	321.431	2.616	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1csc(-c2ccncc2)n1	ZINC000594469674	398807554	/nfs/dbraw/zinc/80/75/54/398807554.db2.gz	RSSVXHJNKBXCEG-LBPRGKRZSA-N	0	3	315.402	2.555	20	30		DFEDHN
C[C@H](NC1CCN([C@H]2CCOC2)CC1)c1ccc(C#N)cc1F	ZINC000594499945	398810936	/nfs/dbraw/zinc/81/09/36/398810936.db2.gz	IFCNYPJCNBOKHM-BBRMVZONSA-N	0	3	317.408	2.601	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(OC)cc2)CC1	ZINC000179344470	199018779	/nfs/dbraw/zinc/01/87/79/199018779.db2.gz	QMTWGBWRMNKYQC-OAHLLOKOSA-N	0	3	316.445	2.640	20	30		DFEDHN
CC1(C)OCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598454733	398815766	/nfs/dbraw/zinc/81/57/66/398815766.db2.gz	OAJFDXPHFQQODS-JKSUJKDBSA-N	0	3	300.402	2.690	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1	ZINC000594522660	398816121	/nfs/dbraw/zinc/81/61/21/398816121.db2.gz	NLBCSMUJGQRSPF-UHFFFAOYSA-N	0	3	320.458	2.545	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ccc(C#N)c(N)n2)CC1	ZINC000594544678	398818889	/nfs/dbraw/zinc/81/88/89/398818889.db2.gz	VHTSBDVHBZPXDH-UHFFFAOYSA-N	0	3	321.428	2.556	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594597992	398827674	/nfs/dbraw/zinc/82/76/74/398827674.db2.gz	FSTJVAYALLDFJP-HIFRSBDPSA-N	0	3	300.362	2.895	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1	ZINC000051506476	398823209	/nfs/dbraw/zinc/82/32/09/398823209.db2.gz	YBGPPMKPGCSGEJ-KRWDZBQOSA-N	0	3	324.380	2.709	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000051557586	398823906	/nfs/dbraw/zinc/82/39/06/398823906.db2.gz	ICPWJRRMMCWKMI-SFHVURJKSA-N	0	3	311.429	2.783	20	30		DFEDHN
CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCCCCC#N	ZINC000598536177	398829179	/nfs/dbraw/zinc/82/91/79/398829179.db2.gz	NRISSGNGFQZZHX-MRXNPFEDSA-N	0	3	321.465	2.562	20	30		DFEDHN
N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-]	ZINC000594602743	398829218	/nfs/dbraw/zinc/82/92/18/398829218.db2.gz	SECLBQTVBIKWIU-CABCVRRESA-N	0	3	300.362	2.895	20	30		DFEDHN
CCn1cncc1[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598589779	398836764	/nfs/dbraw/zinc/83/67/64/398836764.db2.gz	JKYXZKCMNISIPV-GJZGRUSLSA-N	0	3	304.438	2.731	20	30		DFEDHN
COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000598599861	398839364	/nfs/dbraw/zinc/83/93/64/398839364.db2.gz	ACGOHXQGVRSEBF-SWLSCSKDSA-N	0	3	312.360	2.543	20	30		DFEDHN
N#Cc1ccc(CCN[C@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000594708883	398845992	/nfs/dbraw/zinc/84/59/92/398845992.db2.gz	CSBPUCSLAZHTMW-IBGZPJMESA-N	0	3	319.408	2.710	20	30		DFEDHN
CCCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598699528	398857587	/nfs/dbraw/zinc/85/75/87/398857587.db2.gz	FTQOVYRETGTNKV-HNNXBMFYSA-N	0	3	320.433	2.874	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000598705202	398858144	/nfs/dbraw/zinc/85/81/44/398858144.db2.gz	GPQHDVAZEXVYOL-DGCLKSJQSA-N	0	3	322.371	2.767	20	30		DFEDHN
C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1CO	ZINC000598678351	398854343	/nfs/dbraw/zinc/85/43/43/398854343.db2.gz	WTJBJQZQPFCUIW-NVXWUHKLSA-N	0	3	302.418	2.819	20	30		DFEDHN
Cn1c(CNC[C@@H](O)CC(C)(C)C#N)nc2cccc(Cl)c21	ZINC000598725655	398862919	/nfs/dbraw/zinc/86/29/19/398862919.db2.gz	YNEQYHMYQWXYJM-NSHDSACASA-N	0	3	320.824	2.617	20	30		DFEDHN
COc1cc2c(cc1F)CC[C@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598728408	398863284	/nfs/dbraw/zinc/86/32/84/398863284.db2.gz	RUVDUEYHMHRCIF-SWLSCSKDSA-N	0	3	306.381	2.712	20	30		DFEDHN
N#CC1(c2ccc(CNC[C@@H](O)COc3ccccc3)cc2)CC1	ZINC000594914860	398869918	/nfs/dbraw/zinc/86/99/18/398869918.db2.gz	MQQCMYCHPRYDEK-GOSISDBHSA-N	0	3	322.408	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nc(CCC)cs2)CC1	ZINC000180687946	199197528	/nfs/dbraw/zinc/19/75/28/199197528.db2.gz	UBULFSQENGPDAU-UHFFFAOYSA-N	0	3	308.451	2.868	20	30		DFEDHN
COCCOc1ccccc1CNCCc1ccc(C#N)cc1	ZINC000594955445	398881393	/nfs/dbraw/zinc/88/13/93/398881393.db2.gz	ONGXHEVPLBCPCI-UHFFFAOYSA-N	0	3	310.397	2.916	20	30		DFEDHN
C=CCCSCCNCc1cc(OC)c2c(c1)OCCO2	ZINC000594960380	398881895	/nfs/dbraw/zinc/88/18/95/398881895.db2.gz	PGKUTJGYKBEFQE-UHFFFAOYSA-N	0	3	309.431	2.865	20	30		DFEDHN
Cn1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cc1C#N	ZINC000276620936	213004693	/nfs/dbraw/zinc/00/46/93/213004693.db2.gz	LLJYAIRPEXMIEB-UHFFFAOYSA-N	0	3	318.764	2.791	20	30		DFEDHN
CCN(C)C(=O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)C	ZINC000594962340	398882728	/nfs/dbraw/zinc/88/27/28/398882728.db2.gz	ZZDKEZFZABRESI-KRWDZBQOSA-N	0	3	313.445	2.834	20	30		DFEDHN
N#CC1(CNC2CCN(C(=O)c3ccoc3)CC2)CCCCC1	ZINC000594981171	398886316	/nfs/dbraw/zinc/88/63/16/398886316.db2.gz	JAJUFKAXSFZWBA-UHFFFAOYSA-N	0	3	315.417	2.948	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1	ZINC000181154215	199257242	/nfs/dbraw/zinc/25/72/42/199257242.db2.gz	BCRCMGOQSDXSPS-KRWDZBQOSA-N	0	3	310.401	2.699	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000077322068	398898218	/nfs/dbraw/zinc/89/82/18/398898218.db2.gz	NURRXMBKAUSSBL-JQHSSLGASA-N	0	3	322.493	2.937	20	30		DFEDHN
CN(C[C@@H](O)c1ccc(C#N)cc1)CC1(O)CCCCCC1	ZINC000187339087	200098339	/nfs/dbraw/zinc/09/83/39/200098339.db2.gz	MGNDUSSXMJSPFA-QGZVFWFLSA-N	0	3	302.418	2.609	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1	ZINC000595259133	398913494	/nfs/dbraw/zinc/91/34/94/398913494.db2.gz	HXMDRXIMKWACSG-KBPBESRZSA-N	0	3	323.343	2.823	20	30		DFEDHN
CC[C@H](CC(F)F)CN1CCN(c2ccc(C#N)cn2)CC1	ZINC000595295829	398917485	/nfs/dbraw/zinc/91/74/85/398917485.db2.gz	TXYBWDSMTZQGJZ-CYBMUJFWSA-N	0	3	308.376	2.757	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)CC2	ZINC000599077885	398918264	/nfs/dbraw/zinc/91/82/64/398918264.db2.gz	AFGLNEMNVQIBSU-SCTDSRPQSA-N	0	3	321.380	2.766	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000077791021	398925315	/nfs/dbraw/zinc/92/53/15/398925315.db2.gz	AVYQOXMCBJYUTH-HNNXBMFYSA-N	0	3	307.825	2.875	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC([C@@H]3CCCO3)CC2)cc1	ZINC000189230130	200367798	/nfs/dbraw/zinc/36/77/98/200367798.db2.gz	PMRMOIABSKOSBV-SFHVURJKSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCC1	ZINC000599164094	398931635	/nfs/dbraw/zinc/93/16/35/398931635.db2.gz	JMUORWMIBYWAOT-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@H](CO)[C@@H](C)NCc1cccc(OCCCC#N)c1	ZINC000152489310	398931866	/nfs/dbraw/zinc/93/18/66/398931866.db2.gz	IJBRJVQNGTZHJU-CZUORRHYSA-N	0	3	308.447	2.571	20	30		DFEDHN
CS[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1N(C)C	ZINC000595403907	398932635	/nfs/dbraw/zinc/93/26/35/398932635.db2.gz	NFFLZILLUAOMPK-RRFJBIMHSA-N	0	3	309.866	2.882	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(C)(C#N)CC2)C1	ZINC000595427625	398936031	/nfs/dbraw/zinc/93/60/31/398936031.db2.gz	AHGRVOCGUJWZLV-OAHLLOKOSA-N	0	3	305.466	2.897	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(c2ccc(F)cc2C#N)CC1	ZINC000599183059	398936361	/nfs/dbraw/zinc/93/63/61/398936361.db2.gz	FELIRBSBQUXVIU-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
CCN(Cc1cccs1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599252953	398943389	/nfs/dbraw/zinc/94/33/89/398943389.db2.gz	ACGCAMPLLSBTMA-AWEZNQCLSA-N	0	3	308.447	2.641	20	30		DFEDHN
COc1ccc(CN(C[C@H](O)CC2(C#N)CC2)C2CC2)cc1	ZINC000599253084	398943420	/nfs/dbraw/zinc/94/34/20/398943420.db2.gz	DCGACEBEMCXSMG-MRXNPFEDSA-N	0	3	300.402	2.714	20	30		DFEDHN
COc1ccccc1CN(C[C@@H](O)CC1(C#N)CC1)C1CC1	ZINC000599263696	398943975	/nfs/dbraw/zinc/94/39/75/398943975.db2.gz	INNMBIZVYKXFHJ-INIZCTEOSA-N	0	3	300.402	2.714	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccsc2)CCOCC1	ZINC000599266144	398944779	/nfs/dbraw/zinc/94/47/79/398944779.db2.gz	ZOHRWLKTNOKHCK-JKSUJKDBSA-N	0	3	320.458	2.956	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1C#N	ZINC000599266080	398944944	/nfs/dbraw/zinc/94/49/44/398944944.db2.gz	NBNDYEWTWAXGHV-QGZVFWFLSA-N	0	3	311.429	2.605	20	30		DFEDHN
COc1cccc([C@@H]2C[C@H](O)CN2CCc2ccc(C#N)cc2)c1	ZINC000595472168	398945989	/nfs/dbraw/zinc/94/59/89/398945989.db2.gz	JCMGHCKEYBGSSF-ICSRJNTNSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCO[C@@H](c3ccccc3)C2)CC1	ZINC000599285751	398948155	/nfs/dbraw/zinc/94/81/55/398948155.db2.gz	YDROPYARHQVRJY-DLBZAZTESA-N	0	3	300.402	2.505	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCSC[C@@H]2c2ccccc2)CC1	ZINC000599294042	398948708	/nfs/dbraw/zinc/94/87/08/398948708.db2.gz	AECXFMCXADZDEJ-JKSUJKDBSA-N	0	3	302.443	2.831	20	30		DFEDHN
COCCCN1CCCN(c2ccc(Cl)cc2C#N)CC1	ZINC000078302332	398947715	/nfs/dbraw/zinc/94/77/15/398947715.db2.gz	QKSNUHOQENWOCZ-UHFFFAOYSA-N	0	3	307.825	2.760	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@@H](Oc3ccccc3)C2)CC1	ZINC000599292864	398948798	/nfs/dbraw/zinc/94/87/98/398948798.db2.gz	JCNOGKSMFRKUNX-DOTOQJQBSA-N	0	3	300.402	2.585	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1	ZINC000595504727	398952128	/nfs/dbraw/zinc/95/21/28/398952128.db2.gz	HZVXIBIEJAJDIQ-GJZGRUSLSA-N	0	3	313.511	2.715	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)[C@H]1c1ccccc1	ZINC000599319181	398953531	/nfs/dbraw/zinc/95/35/31/398953531.db2.gz	XKYDJKIPPRQECW-BPQIPLTHSA-N	0	3	314.429	2.751	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@H](Oc3ccccc3Cl)C2)CC1	ZINC000599336180	398956456	/nfs/dbraw/zinc/95/64/56/398956456.db2.gz	IEQMOSSGFZQGGX-KBPBESRZSA-N	0	3	320.820	2.848	20	30		DFEDHN
N#Cc1ccc(CCN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000595535404	398958164	/nfs/dbraw/zinc/95/81/64/398958164.db2.gz	ZJGPFHVZPIXCCA-UXHICEINSA-N	0	3	324.399	2.901	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1F	ZINC000599353259	398958387	/nfs/dbraw/zinc/95/83/87/398958387.db2.gz	HEXJJJQZKDBGRS-CHWSQXEVSA-N	0	3	324.371	2.687	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1[N+](=O)[O-]	ZINC000599354162	398960381	/nfs/dbraw/zinc/96/03/81/398960381.db2.gz	NCICJTHRQWSQPK-TZMCWYRMSA-N	0	3	303.362	2.609	20	30		DFEDHN
C=CCCOCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000604713558	398966370	/nfs/dbraw/zinc/96/63/70/398966370.db2.gz	HVNIVDPTZSTSPH-INIZCTEOSA-N	0	3	316.445	2.921	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2cnccc2C#N)CC1	ZINC000281433472	216296500	/nfs/dbraw/zinc/29/65/00/216296500.db2.gz	JNRZODMIKZFLQE-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CC(C)(C#N)CCN(Cc1ccccc1)[C@]1(CO)CCOC1	ZINC000599395487	398973007	/nfs/dbraw/zinc/97/30/07/398973007.db2.gz	DTTOHPHWQWXCBD-SFHVURJKSA-N	0	3	302.418	2.580	20	30		DFEDHN
Cc1ccc(CN2CCN(C3CCOCC3)C[C@@H]2C)cc1C#N	ZINC000599395187	398972276	/nfs/dbraw/zinc/97/22/76/398972276.db2.gz	COSWPPGCZBUFDD-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
COC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000599395369	398973073	/nfs/dbraw/zinc/97/30/73/398973073.db2.gz	HLMAHZICLUAIAN-GJZGRUSLSA-N	0	3	308.809	2.672	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)c(C)c1OC	ZINC000599419589	398976192	/nfs/dbraw/zinc/97/61/92/398976192.db2.gz	QNSPXSHXPFXVSM-UONOGXRCSA-N	0	3	318.417	2.718	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)c(C)c1OC	ZINC000599419590	398976676	/nfs/dbraw/zinc/97/66/76/398976676.db2.gz	QNSPXSHXPFXVSM-ZIAGYGMSSA-N	0	3	318.417	2.718	20	30		DFEDHN
Cc1ccc(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc1C#N	ZINC000599427571	398979134	/nfs/dbraw/zinc/97/91/34/398979134.db2.gz	CSWYPTRUNZIFHE-KBXCAEBGSA-N	0	3	307.397	2.614	20	30		DFEDHN
C[C@]1(c2cccc(F)c2)CCN(C[C@H](O)CC2(C#N)CC2)C1	ZINC000599452538	398986502	/nfs/dbraw/zinc/98/65/02/398986502.db2.gz	RSICQJINOXXBJJ-SJORKVTESA-N	0	3	302.393	2.844	20	30		DFEDHN
C=CCCC(=O)N(C)C[C@@H]1CCCN(CC)[C@@H]1c1cnn(C)c1	ZINC000618061959	398991959	/nfs/dbraw/zinc/99/19/59/398991959.db2.gz	VPPQWTZAZZMSKE-YJBOKZPZSA-N	0	3	318.465	2.618	20	30		DFEDHN
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1C#N	ZINC000595595783	398990671	/nfs/dbraw/zinc/99/06/71/398990671.db2.gz	MZPYRBYUXLWTIL-SFHVURJKSA-N	0	3	310.397	2.602	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000271854085	209270207	/nfs/dbraw/zinc/27/02/07/209270207.db2.gz	XHRPRKNGGWALCH-PBHICJAKSA-N	0	3	302.418	2.791	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2ccnc(C#N)c2)N(C)C)cc1	ZINC000195078941	201335277	/nfs/dbraw/zinc/33/52/77/201335277.db2.gz	FAPQAHLFYJMGKA-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccn1	ZINC000195079491	201337168	/nfs/dbraw/zinc/33/71/68/201337168.db2.gz	ZLSSJDSKDIXWLS-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2Cl)C1	ZINC000595610333	398997005	/nfs/dbraw/zinc/99/70/05/398997005.db2.gz	WOIAPEQLJBKEGM-GOEBONIOSA-N	0	3	322.836	2.843	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1	ZINC000595609135	398997632	/nfs/dbraw/zinc/99/76/32/398997632.db2.gz	GQCXOXYSTFJCRG-IAGOWNOFSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H](O)COc2cccc3[nH]ccc32)C1	ZINC000595614757	399000708	/nfs/dbraw/zinc/00/07/08/399000708.db2.gz	NQBGNAKGASPOLV-LSDHHAIUSA-N	0	3	313.401	2.533	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(C#N)cc2C)n1	ZINC000599541753	399007855	/nfs/dbraw/zinc/00/78/55/399007855.db2.gz	NDVFDVJAWBIMLK-SFHVURJKSA-N	0	3	309.417	2.740	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CC[C@H]2CC[C@@H](C1)S2	ZINC000599553199	399012129	/nfs/dbraw/zinc/01/21/29/399012129.db2.gz	UJZQDTNAGWIMHC-OLZOCXBDSA-N	0	3	321.471	2.918	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1	ZINC000271802578	209229510	/nfs/dbraw/zinc/22/95/10/209229510.db2.gz	KJRMUKCSOLLFOZ-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3oc(CC)nc3c2)CC1	ZINC000057176892	399021877	/nfs/dbraw/zinc/02/18/77/399021877.db2.gz	PYMPRBQMXVHZRZ-UHFFFAOYSA-N	0	3	311.385	2.674	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595659969	399023839	/nfs/dbraw/zinc/02/38/39/399023839.db2.gz	OZBDQOXCEUNTKS-AEFFLSMTSA-N	0	3	309.413	2.952	20	30		DFEDHN
COc1ccc(C(C)(C)NC[C@@H](O)CC2(C#N)CC2)cc1F	ZINC000599598823	399025519	/nfs/dbraw/zinc/02/55/19/399025519.db2.gz	WZRNAFUWJIUYRQ-ZDUSSCGKSA-N	0	3	306.381	2.714	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(CCC(C)(C)C)CC1	ZINC000079216043	399025672	/nfs/dbraw/zinc/02/56/72/399025672.db2.gz	ZKUVODNALURETO-QGZVFWFLSA-N	0	3	321.509	2.629	20	30		DFEDHN
CCN1CCC(N(C(=O)c2cccc(CC#N)c2)C2CC2)CC1	ZINC000057372266	399034451	/nfs/dbraw/zinc/03/44/51/399034451.db2.gz	WTHKBUIDQNRXII-UHFFFAOYSA-N	0	3	311.429	2.842	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1	ZINC000091832900	193113909	/nfs/dbraw/zinc/11/39/09/193113909.db2.gz	GRESQJMJORJHON-MRXNPFEDSA-N	0	3	311.385	2.770	20	30		DFEDHN
C=CCCCN(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000605677214	399038761	/nfs/dbraw/zinc/03/87/61/399038761.db2.gz	WGKHADQBBSIZSC-KRWDZBQOSA-N	0	3	301.434	2.718	20	30		DFEDHN
COCC(C)(C)NCC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000171203836	399040505	/nfs/dbraw/zinc/04/05/05/399040505.db2.gz	OIKBYJKXENMZJT-UHFFFAOYSA-N	0	3	323.824	2.601	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]2CCC[C@H]21	ZINC000599655325	399046928	/nfs/dbraw/zinc/04/69/28/399046928.db2.gz	PQXMSYLHEOVFKV-KSZLIROESA-N	0	3	312.413	2.916	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000595706139	399047406	/nfs/dbraw/zinc/04/74/06/399047406.db2.gz	GSKZQWRHEAJRAM-CHWQCYJSSA-N	0	3	313.445	2.747	20	30		DFEDHN
C[C@]12CCCC[C@H]1CN2C[C@H](O)COc1ccccc1C#N	ZINC000599669758	399053541	/nfs/dbraw/zinc/05/35/41/399053541.db2.gz	FEJJFWDTKVFKOL-BQFCYCMXSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)c2ccccc2)CC1	ZINC000171713169	399056326	/nfs/dbraw/zinc/05/63/26/399056326.db2.gz	DZOXFLZIQTWIHJ-UHFFFAOYSA-N	0	3	315.461	2.914	20	30		DFEDHN
COC(=O)[C@@H]1CN(CCc2ccc(C#N)cc2)Cc2ccccc21	ZINC000599678051	399058973	/nfs/dbraw/zinc/05/89/73/399058973.db2.gz	IQLFEPWRQSLUIY-LJQANCHMSA-N	0	3	320.392	2.873	20	30		DFEDHN
Cc1noc([C@@H]2OCC[C@@H]2NCCC2(C#N)CCCCC2)n1	ZINC000599682049	399060502	/nfs/dbraw/zinc/06/05/02/399060502.db2.gz	APWAWLOWVTXGOY-UONOGXRCSA-N	0	3	304.394	2.662	20	30		DFEDHN
COC(=O)C1C[C@@H](C)N(Cc2ccc(CC#N)cc2)[C@H](C)C1	ZINC000599694063	399067788	/nfs/dbraw/zinc/06/77/88/399067788.db2.gz	GGTFZAWMHWGWDC-ZIAGYGMSSA-N	0	3	300.402	2.915	20	30		DFEDHN
COC(=O)C1C[C@H](C)N(CCOc2ccccc2C#N)[C@@H](C)C1	ZINC000599704453	399071343	/nfs/dbraw/zinc/07/13/43/399071343.db2.gz	FAUNXMDOXLGQAX-KBPBESRZSA-N	0	3	316.401	2.599	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H]3CCCCO3)CCOCC2)c1	ZINC000595764626	399075668	/nfs/dbraw/zinc/07/56/68/399075668.db2.gz	JRLKOVYLCHBQNR-QGZVFWFLSA-N	0	3	300.402	2.723	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1	ZINC000282923885	334999416	/nfs/dbraw/zinc/99/94/16/334999416.db2.gz	HOBPSAJBBNXFFN-SFHVURJKSA-N	0	3	309.413	2.989	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(OC)c(Cl)c2)CC1	ZINC000284346664	335011407	/nfs/dbraw/zinc/01/14/07/335011407.db2.gz	RSPGXFYJSUVONB-UHFFFAOYSA-N	0	3	323.824	2.514	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCCN(C)CC1)c1ccc(F)c(F)c1	ZINC000275104202	212121107	/nfs/dbraw/zinc/12/11/07/212121107.db2.gz	KIJFOFWHSAXBBL-INIZCTEOSA-N	0	3	323.387	2.929	20	30		DFEDHN
COc1ccc(COCCNCc2cc(C#N)cs2)cc1	ZINC000093112679	193203881	/nfs/dbraw/zinc/20/38/81/193203881.db2.gz	LIJUQNKTBYLJAY-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H](COC)C2)cc(OC)c1O	ZINC000093337624	193234880	/nfs/dbraw/zinc/23/48/80/193234880.db2.gz	HRRMINQGHCDVQJ-CQSZACIVSA-N	0	3	305.418	2.988	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cccc(Br)c2)CC1	ZINC000600716766	399122935	/nfs/dbraw/zinc/12/29/35/399122935.db2.gz	GZUVKHPJQQIVEI-ZDUSSCGKSA-N	0	3	309.207	2.593	20	30		DFEDHN
N#CCC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1	ZINC000178799612	399127098	/nfs/dbraw/zinc/12/70/98/399127098.db2.gz	COEFCYPBOZSSSS-IAGOWNOFSA-N	0	3	312.417	2.521	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)CC1	ZINC000600731968	399127814	/nfs/dbraw/zinc/12/78/14/399127814.db2.gz	OIZHZDYEWJTVHC-DZGCQCFKSA-N	0	3	304.365	2.684	20	30		DFEDHN
C=CCC[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1	ZINC000180039222	399132293	/nfs/dbraw/zinc/13/22/93/399132293.db2.gz	FEDULCCENPLCBS-JZXOWHBKSA-N	0	3	316.445	2.919	20	30		DFEDHN
N#CC1(C[C@@H](O)CNC[C@@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000600744184	399132790	/nfs/dbraw/zinc/13/27/90/399132790.db2.gz	AWHIEIWXTZKTMC-DGCLKSJQSA-N	0	3	320.355	2.521	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000600744419	399132823	/nfs/dbraw/zinc/13/28/23/399132823.db2.gz	MVJBBNIJFWCGRU-CVEARBPZSA-N	0	3	322.412	2.504	20	30		DFEDHN
COC(=O)c1cnc([C@@H]2CCCN(CCCCC#N)C2)s1	ZINC000595913513	399133710	/nfs/dbraw/zinc/13/37/10/399133710.db2.gz	HCJFTQRGPJYKMU-GFCCVEGCSA-N	0	3	307.419	2.803	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2ccc(C#N)cn2)cc1	ZINC000264080250	203708568	/nfs/dbraw/zinc/70/85/68/203708568.db2.gz	HPTZHXNZPQCSPJ-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccnc(-c3ccccc3)c2)CC1	ZINC000600756953	399136186	/nfs/dbraw/zinc/13/61/86/399136186.db2.gz	IIMJPNBWIZFVOQ-KRWDZBQOSA-N	0	3	307.397	2.893	20	30		DFEDHN
CC(C)[C@H](NCC(=O)NCC#N)c1ccc(C(F)(F)F)cc1	ZINC000181508976	399140690	/nfs/dbraw/zinc/14/06/90/399140690.db2.gz	OIUHIOFGBOIGQX-AWEZNQCLSA-N	0	3	313.323	2.632	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCC23CC3)c1	ZINC000600761430	399138523	/nfs/dbraw/zinc/13/85/23/399138523.db2.gz	PSCHMDKOIYBNJX-HNNXBMFYSA-N	0	3	318.442	2.502	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC[C@H]2CC=CCC2)c1	ZINC000600763143	399138717	/nfs/dbraw/zinc/13/87/17/399138717.db2.gz	RINFMIKQZKAJMD-HNNXBMFYSA-N	0	3	318.442	2.668	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000134880417	335014491	/nfs/dbraw/zinc/01/44/91/335014491.db2.gz	WVKCXBLNRRIWLK-NUJGCVRESA-N	0	3	316.445	2.747	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](CC(C)C)c1ccccc1C	ZINC000183248781	399152902	/nfs/dbraw/zinc/15/29/02/399152902.db2.gz	XGUSENJCKAWMSH-MRXNPFEDSA-N	0	3	317.433	2.684	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CNC1(c2ccccc2)CCCC1	ZINC000183549330	399153912	/nfs/dbraw/zinc/15/39/12/399153912.db2.gz	HYZSUZKYJWICTN-UHFFFAOYSA-N	0	3	324.428	2.701	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccsc1	ZINC000061362687	399154415	/nfs/dbraw/zinc/15/44/15/399154415.db2.gz	CUZMYUOLSCMHFI-IUODEOHRSA-N	0	3	302.399	2.710	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)nc1	ZINC000264825477	204185715	/nfs/dbraw/zinc/18/57/15/204185715.db2.gz	DEIPQLDOYLUGPH-QGZVFWFLSA-N	0	3	324.428	2.712	20	30		DFEDHN
C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1	ZINC000080587546	399160705	/nfs/dbraw/zinc/16/07/05/399160705.db2.gz	DBRSLJGJMJCDPR-GOEBONIOSA-N	0	3	314.433	2.602	20	30		DFEDHN
CNC(=O)C[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000271736566	209169782	/nfs/dbraw/zinc/16/97/82/209169782.db2.gz	PMLVEAQYWKLSGD-CQSZACIVSA-N	0	3	307.397	2.839	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N[C@@H](C)CCC	ZINC000284928085	335015537	/nfs/dbraw/zinc/01/55/37/335015537.db2.gz	AKBCCJAFDMAVNC-LZLYRXPVSA-N	0	3	300.446	2.904	20	30		DFEDHN
COc1cc(CN(C)CCC(=O)OC(C)(C)C)ccc1C#N	ZINC000282502109	217045199	/nfs/dbraw/zinc/04/51/99/217045199.db2.gz	YEUBHKSOJBLWFE-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
COc1cc(CN2CC[C@@H](CNc3ccccn3)C2)ccc1C#N	ZINC000282510681	217052196	/nfs/dbraw/zinc/05/21/96/217052196.db2.gz	YWAWKCONQZAJQG-INIZCTEOSA-N	0	3	322.412	2.896	20	30		DFEDHN
CC(C)(CNC(=O)N[C@H]1CCCC[C@H]1C#N)N1CCCCC1	ZINC000596091666	399169983	/nfs/dbraw/zinc/16/99/83/399169983.db2.gz	BUIOJOGIEPDNEE-GJZGRUSLSA-N	0	3	306.454	2.632	20	30		DFEDHN
CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000596101278	399173302	/nfs/dbraw/zinc/17/33/02/399173302.db2.gz	GDJBUWKSTSIEEJ-ULQDDVLXSA-N	0	3	314.433	2.671	20	30		DFEDHN
COc1cccc(C2(NC[C@H](O)c3ccc(C#N)cc3)CC2)c1	ZINC000271707638	209142027	/nfs/dbraw/zinc/14/20/27/209142027.db2.gz	MZHPPISYSYPESK-SFHVURJKSA-N	0	3	308.381	2.879	20	30		DFEDHN
CCc1c(C(=O)CON=C(N)C2CCCC2)[nH]c(C)c1C(C)=O	ZINC000063455510	399189782	/nfs/dbraw/zinc/18/97/82/399189782.db2.gz	JVITUOBPUFBSJT-UHFFFAOYSA-N	0	3	319.405	2.750	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596154832	399194490	/nfs/dbraw/zinc/19/44/90/399194490.db2.gz	DGUXSQDKXRHGHR-SMDDNHRTSA-N	0	3	300.362	2.812	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1CCO[C@H]1c1ccccc1	ZINC000191960615	335020306	/nfs/dbraw/zinc/02/03/06/335020306.db2.gz	FBYZNIDJWAMWGZ-AEFFLSMTSA-N	0	3	302.418	2.531	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000283011584	217385625	/nfs/dbraw/zinc/38/56/25/217385625.db2.gz	POZRWXVPUQUKGY-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
N#Cc1ccccc1OC[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000601070708	399218150	/nfs/dbraw/zinc/21/81/50/399218150.db2.gz	SLGQKTUPYUISOS-IBGZPJMESA-N	0	3	308.381	2.574	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(C(=O)N(C)C(C)C)CC1	ZINC000614397650	399225065	/nfs/dbraw/zinc/22/50/65/399225065.db2.gz	MCSVDJFKDPWUQS-UHFFFAOYSA-N	0	3	313.445	2.946	20	30		DFEDHN
C=CCc1cc(CNCCC(C)(C)C(=O)OC)cc(OC)c1O	ZINC000285597097	335023717	/nfs/dbraw/zinc/02/37/17/335023717.db2.gz	UXQLGUYJWKUGQH-UHFFFAOYSA-N	0	3	321.417	2.808	20	30		DFEDHN
CC(C)(C)CCN1CCN(c2cc(C#N)nc(C3CC3)n2)CC1	ZINC000601105798	399229137	/nfs/dbraw/zinc/22/91/37/399229137.db2.gz	IVFYOKGVSMHKEV-UHFFFAOYSA-N	0	3	313.449	2.784	20	30		DFEDHN
Cc1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)on1	ZINC000601131294	399236550	/nfs/dbraw/zinc/23/65/50/399236550.db2.gz	VYEZXLHNIDOPBO-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000267491890	206105194	/nfs/dbraw/zinc/10/51/94/206105194.db2.gz	GCIHJZDIOKZGQB-WMZOPIPTSA-N	0	3	313.445	2.704	20	30		DFEDHN
Cc1nocc1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000601142507	399240440	/nfs/dbraw/zinc/24/04/40/399240440.db2.gz	SULKROQHHMFICV-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
N#Cc1ccc(CNCc2ccnc(N3CCSCC3)c2)cc1	ZINC000601151529	399242638	/nfs/dbraw/zinc/24/26/38/399242638.db2.gz	CBLXDHGOZCYFOL-UHFFFAOYSA-N	0	3	324.453	2.796	20	30		DFEDHN
C[C@@](CO)(Cc1ccccc1F)NCc1cc(C#N)cs1	ZINC000601153762	399242648	/nfs/dbraw/zinc/24/26/48/399242648.db2.gz	SKGKINRWCYOZER-INIZCTEOSA-N	0	3	304.390	2.842	20	30		DFEDHN
C=CCC[C@@H](NCCCOCCOCCOC)c1ccco1	ZINC000286195652	335030575	/nfs/dbraw/zinc/03/05/75/335030575.db2.gz	RAQMGLWXYKVUSJ-MRXNPFEDSA-N	0	3	311.422	2.946	20	30		DFEDHN
C=CCC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccco1	ZINC000285994918	335031327	/nfs/dbraw/zinc/03/13/27/335031327.db2.gz	HFGYJJIEAKPSQP-KGLIPLIRSA-N	0	3	316.405	2.629	20	30		DFEDHN
C=CCN1CCC(N[C@H](C)c2cc(C(=O)OC)cs2)CC1	ZINC000286055264	335031907	/nfs/dbraw/zinc/03/19/07/335031907.db2.gz	LEJMPOXKVUQWTI-GFCCVEGCSA-N	0	3	308.447	2.836	20	30		DFEDHN
C[C@H](NCCOCC(=O)OC(C)(C)C)c1cccc(C#N)c1	ZINC000601295339	399271946	/nfs/dbraw/zinc/27/19/46/399271946.db2.gz	UIJPSOLTQBHKOQ-ZDUSSCGKSA-N	0	3	304.390	2.567	20	30		DFEDHN
COc1ccc([C@H]2C[C@@H]2[C@@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601317238	399276456	/nfs/dbraw/zinc/27/64/56/399276456.db2.gz	ZOWRKYUCPMGCNB-ATZDWAIDSA-N	0	3	313.445	2.718	20	30		DFEDHN
CCO[C@H]1C[C@@H](N2CCN(CCC#N)CC2)C12CCCCC2	ZINC000601316171	399276666	/nfs/dbraw/zinc/27/66/66/399276666.db2.gz	UODHNWNMCUEOGA-SJORKVTESA-N	0	3	305.466	2.646	20	30		DFEDHN
COC[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1	ZINC000619060425	399286377	/nfs/dbraw/zinc/28/63/77/399286377.db2.gz	YTWJDEMQDAQSSL-IRXDYDNUSA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000608822174	399297790	/nfs/dbraw/zinc/29/77/90/399297790.db2.gz	GYKBQBUSBAYPAT-QZTJIDSGSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#Cc1cccc(OCCN2CCc3ccc(O)cc3CC2)c1	ZINC000609133330	399305016	/nfs/dbraw/zinc/30/50/16/399305016.db2.gz	MPGBGZPBHNAOCD-UHFFFAOYSA-N	0	3	308.381	2.743	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CCC[C@H]3C3CC3)C2=O)cc1	ZINC000619157562	399304183	/nfs/dbraw/zinc/30/41/83/399304183.db2.gz	GAOMONSXASZMDU-ROUUACIJSA-N	0	3	309.413	2.928	20	30		DFEDHN
N#CCn1c(C(=O)NCCN2CCCCCC2)cc2ccccc21	ZINC000609202525	399308625	/nfs/dbraw/zinc/30/86/25/399308625.db2.gz	ZISKQQKHSUYKPF-UHFFFAOYSA-N	0	3	324.428	2.771	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1ncc(C#N)cc1C	ZINC000601621630	399310381	/nfs/dbraw/zinc/31/03/81/399310381.db2.gz	PEWUSRLNMGWOFF-UHFFFAOYSA-N	0	3	324.384	2.584	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)[nH]c1C	ZINC000601622149	399310447	/nfs/dbraw/zinc/31/04/47/399310447.db2.gz	RYXAVIKZVWFULC-UHFFFAOYSA-N	0	3	312.373	2.517	20	30		DFEDHN
Cc1nccn1[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000609260133	399310684	/nfs/dbraw/zinc/31/06/84/399310684.db2.gz	BXIUESYJVWVNDJ-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#CCN1CCC(NCc2c(F)cccc2N2CCCC2)CC1	ZINC000609334700	399314413	/nfs/dbraw/zinc/31/44/13/399314413.db2.gz	BRBAGHFHBOTOPX-UHFFFAOYSA-N	0	3	316.424	2.503	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)CSc1ccc(C#N)cc1	ZINC000609833641	399333001	/nfs/dbraw/zinc/33/30/01/399333001.db2.gz	QRBBEXMMCLKXSM-HNNXBMFYSA-N	0	3	317.458	2.641	20	30		DFEDHN
Cc1ccncc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619384952	399336264	/nfs/dbraw/zinc/33/62/64/399336264.db2.gz	HJEFZBOZAUWPOT-WMLDXEAASA-N	0	3	318.380	2.821	20	30		DFEDHN
CN(C(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[C@H]1C#N	ZINC000601815891	399342039	/nfs/dbraw/zinc/34/20/39/399342039.db2.gz	FZTYVUWAHWGJGP-WMZOPIPTSA-N	0	3	311.429	2.585	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H](C)CO	ZINC000273985945	211244607	/nfs/dbraw/zinc/24/46/07/211244607.db2.gz	JEYNGFRBXCJISM-OLZOCXBDSA-N	0	3	308.447	2.510	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000287261313	335042655	/nfs/dbraw/zinc/04/26/55/335042655.db2.gz	QBVBIXGGPPPTOF-CABCVRRESA-N	0	3	323.396	2.662	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N1CCN(CC2CC2)CC1	ZINC000610211352	399347252	/nfs/dbraw/zinc/34/72/52/399347252.db2.gz	POVRGSVHQPFVGK-UHFFFAOYSA-N	0	3	306.413	2.947	20	30		DFEDHN
N#Cc1cnc2c(F)ccc(F)c2c1N1CCN2CCC[C@H]2C1	ZINC000610249939	399350364	/nfs/dbraw/zinc/35/03/64/399350364.db2.gz	FALYHVGINFITLE-LBPRGKRZSA-N	0	3	314.339	2.669	20	30		DFEDHN
COc1cnccc1N1CCN(Cc2ccc(C#N)cc2C)CC1	ZINC000619516672	399356652	/nfs/dbraw/zinc/35/66/52/399356652.db2.gz	NUKHHUIOHRHHFM-UHFFFAOYSA-N	0	3	322.412	2.593	20	30		DFEDHN
CC(C)N1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000619508462	399355537	/nfs/dbraw/zinc/35/55/37/399355537.db2.gz	YRRVSXMJKRVZOF-WMZOPIPTSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000619578883	399364005	/nfs/dbraw/zinc/36/40/05/399364005.db2.gz	SZDJWAHAHDZHTG-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
Cn1ccnc1CC1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000105875503	194153915	/nfs/dbraw/zinc/15/39/15/194153915.db2.gz	PJLVTNBICBTKQG-UHFFFAOYSA-N	0	3	324.428	2.625	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CNCc1cc(C#N)cs1	ZINC000610488628	399372401	/nfs/dbraw/zinc/37/24/01/399372401.db2.gz	PTNMLGMHQQAFOX-HNNXBMFYSA-N	0	3	316.426	2.766	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)C1	ZINC000619673443	399374941	/nfs/dbraw/zinc/37/49/41/399374941.db2.gz	KXTBRLPAGMULGF-CBBWQLFWSA-N	0	3	312.335	2.803	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3cnc(C#N)cn3)c(C)c2)CC1	ZINC000106462492	194216905	/nfs/dbraw/zinc/21/69/05/194216905.db2.gz	PURAQBYQOPTUPW-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1CCOc1cccc(C#N)c1	ZINC000610582997	399382513	/nfs/dbraw/zinc/38/25/13/399382513.db2.gz	KKDFIRIGOLAQLC-MSOLQXFVSA-N	0	3	313.445	2.886	20	30		DFEDHN
N#CCC[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccccc1	ZINC000602012345	399383932	/nfs/dbraw/zinc/38/39/32/399383932.db2.gz	OOHHSQBMLIUPQL-JKSUJKDBSA-N	0	3	306.431	2.588	20	30		DFEDHN
COC[C@H](NCc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000619755137	399387665	/nfs/dbraw/zinc/38/76/65/399387665.db2.gz	AESFUFSPJUNJSN-INIZCTEOSA-N	0	3	308.809	2.743	20	30		DFEDHN
C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)C1CC1	ZINC000285312487	218376264	/nfs/dbraw/zinc/37/62/64/218376264.db2.gz	MEWUKBOKQXPALK-LBPRGKRZSA-N	0	3	317.408	2.574	20	30		DFEDHN
COC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)n1C	ZINC000602029902	399388104	/nfs/dbraw/zinc/38/81/04/399388104.db2.gz	ZHGLQTORBIOJMK-UHFFFAOYSA-N	0	3	311.385	2.708	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CN1C1CC1	ZINC000610654046	399389088	/nfs/dbraw/zinc/38/90/88/399389088.db2.gz	DUYLOFUBIRJSJO-UKRRQHHQSA-N	0	3	322.412	2.520	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNCC2(CO)CC2)cc1OC	ZINC000623439031	399390320	/nfs/dbraw/zinc/39/03/20/399390320.db2.gz	SZJXYMAKTSMBLP-UHFFFAOYSA-N	0	3	311.809	2.776	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)cc1Cl	ZINC000619780636	399390689	/nfs/dbraw/zinc/39/06/89/399390689.db2.gz	YASKADKIHHWHMY-MRXNPFEDSA-N	0	3	317.820	2.702	20	30		DFEDHN
CCN1C[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)[C@@H](C)C1	ZINC000610678524	399392112	/nfs/dbraw/zinc/39/21/12/399392112.db2.gz	SJXQZSDLENLWBN-ZBEGNZNMSA-N	0	3	314.820	2.934	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CC(=O)N(C)C2)cc1	ZINC000268876685	207047042	/nfs/dbraw/zinc/04/70/42/207047042.db2.gz	VNQCPLGLMJSHIU-OCCSQVGLSA-N	0	3	308.809	2.699	20	30		DFEDHN
CC(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccnn1C	ZINC000615943554	399403399	/nfs/dbraw/zinc/40/33/99/399403399.db2.gz	ZWLZCHKVGHUOIZ-OAHLLOKOSA-N	0	3	300.381	2.960	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)ccc2Cl)CCN1C	ZINC000285838920	218664329	/nfs/dbraw/zinc/66/43/29/218664329.db2.gz	WISIBOVUKBINCT-AAEUAGOBSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1cccc(C#N)c1	ZINC000610829885	399410853	/nfs/dbraw/zinc/41/08/53/399410853.db2.gz	RBYTUSXRWZREOZ-KBPBESRZSA-N	0	3	318.384	2.946	20	30		DFEDHN
CN(CCOC(C)(C)C)CCC(=O)Nc1sccc1C#N	ZINC000610859606	399413077	/nfs/dbraw/zinc/41/30/77/399413077.db2.gz	AWOJZMTWHUEUAJ-UHFFFAOYSA-N	0	3	309.435	2.695	20	30		DFEDHN
N#Cc1ccc(CNc2ccc(CN3CCC(O)CC3)cc2)o1	ZINC000610909809	399417719	/nfs/dbraw/zinc/41/77/19/399417719.db2.gz	PSXMECFKLPUBNN-UHFFFAOYSA-N	0	3	311.385	2.720	20	30		DFEDHN
C[C@@H](CCN1CCN(CCC#N)CC1)OCc1ccccc1	ZINC000616111249	399422615	/nfs/dbraw/zinc/42/26/15/399422615.db2.gz	AXRKTTAPZHYTOW-KRWDZBQOSA-N	0	3	301.434	2.513	20	30		DFEDHN
N#Cc1cc(CNC2(c3ccc(F)cc3)CCOCC2)ccn1	ZINC000610993245	399425628	/nfs/dbraw/zinc/42/56/28/399425628.db2.gz	IESQUPWPFDWRBF-UHFFFAOYSA-N	0	3	311.360	2.888	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2ccnc(C#N)c2)C1	ZINC000610994821	399427209	/nfs/dbraw/zinc/42/72/09/399427209.db2.gz	SGPNCCYOXLSVKO-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccnc(C#N)c2)C1	ZINC000610994836	399427225	/nfs/dbraw/zinc/42/72/25/399427225.db2.gz	SGPNCCYOXLSVKO-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccccc1C#N	ZINC000611120873	399436019	/nfs/dbraw/zinc/43/60/19/399436019.db2.gz	DLRHYWKSXFRIJW-CRAIPNDOSA-N	0	3	313.445	2.931	20	30		DFEDHN
CNC(=O)[C@H](CC(C)C)NCc1cccc(OCCCC#N)c1	ZINC000611120252	399436033	/nfs/dbraw/zinc/43/60/33/399436033.db2.gz	LQOVSWCIDUNZBC-KRWDZBQOSA-N	0	3	317.433	2.619	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2cccc(F)c2C#N)C1	ZINC000496888610	269701390	/nfs/dbraw/zinc/70/13/90/269701390.db2.gz	BDUZAMSOOBZIPY-GXTWGEPZSA-N	0	3	319.380	2.654	20	30		DFEDHN
COc1cc(F)ccc1N1CCN(C[C@@H](C)CCC#N)CC1	ZINC000602472262	399454454	/nfs/dbraw/zinc/45/44/54/399454454.db2.gz	QMLVKYQZCZOKLK-AWEZNQCLSA-N	0	3	305.397	2.896	20	30		DFEDHN
N#Cc1cccc(CN[C@@H](CN2CCCC2)c2ccccc2)n1	ZINC000602511055	399464290	/nfs/dbraw/zinc/46/42/90/399464290.db2.gz	SCNJOFDWZIDVIW-IBGZPJMESA-N	0	3	306.413	2.880	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2CCN(C)[C@H](C)[C@H]2C)c1C#N	ZINC000611349372	399464820	/nfs/dbraw/zinc/46/48/20/399464820.db2.gz	FVFQMTWRYAUSNX-HZPDHXFCSA-N	0	3	323.444	2.577	20	30		DFEDHN
C[C@H](NC[C@H](O)COCc1cccs1)c1cccc(C#N)c1	ZINC000611389022	399468892	/nfs/dbraw/zinc/46/88/92/399468892.db2.gz	PMCLBGBNTKSOBQ-BBRMVZONSA-N	0	3	316.426	2.848	20	30		DFEDHN
CC[C@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)OCCO2	ZINC000611383961	399468107	/nfs/dbraw/zinc/46/81/07/399468107.db2.gz	BYMDUUGEUFZSJU-INIZCTEOSA-N	0	3	309.369	2.965	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1c(Cl)oc2ccccc21	ZINC000602537205	399470093	/nfs/dbraw/zinc/47/00/93/399470093.db2.gz	ATLYVVFDNZRWDX-GFCCVEGCSA-N	0	3	305.765	2.724	20	30		DFEDHN
COc1cccc(N2CCC[C@@H](NCc3cccc(C#N)n3)C2)c1	ZINC000602552549	399473820	/nfs/dbraw/zinc/47/38/20/399473820.db2.gz	UUBAYMIGRVYQNL-QGZVFWFLSA-N	0	3	322.412	2.720	20	30		DFEDHN
CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@H](N)CCCCC#N)CC1	ZINC000602547730	399473026	/nfs/dbraw/zinc/47/30/26/399473026.db2.gz	ZYKZHVQVSBPTES-BRWVUGGUSA-N	0	3	323.481	2.888	20	30		DFEDHN
CCc1ccc(C2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1	ZINC000602572107	399479360	/nfs/dbraw/zinc/47/93/60/399479360.db2.gz	KBUYBHVYVIOPLG-SFHVURJKSA-N	0	3	313.445	2.976	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CN(C)Cc2ccccc21	ZINC000602582313	399482419	/nfs/dbraw/zinc/48/24/19/399482419.db2.gz	WAFSQHAQJWZDGG-CRAIPNDOSA-N	0	3	313.445	2.862	20	30		DFEDHN
CCN1CCN(c2cccc(NCc3cccc(C#N)n3)c2)CC1	ZINC000602620669	399492332	/nfs/dbraw/zinc/49/23/32/399492332.db2.gz	ZUWMLPWHQIQNIA-UHFFFAOYSA-N	0	3	321.428	2.707	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000602645071	399500491	/nfs/dbraw/zinc/50/04/91/399500491.db2.gz	GJFXOJFSIAIPCA-ZBEGNZNMSA-N	0	3	317.345	2.807	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)n1	ZINC000602655121	399503830	/nfs/dbraw/zinc/50/38/30/399503830.db2.gz	ZBCSHWUSJSVVAT-OAHLLOKOSA-N	0	3	321.428	2.866	20	30		DFEDHN
CC[C@@H](C)[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)OC	ZINC000602651632	399503303	/nfs/dbraw/zinc/50/33/03/399503303.db2.gz	KBIJRAZHCQFXLG-HZPDHXFCSA-N	0	3	301.434	3.000	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)n1)CC1CCCCC1	ZINC000602654534	399504031	/nfs/dbraw/zinc/50/40/31/399504031.db2.gz	CQXQFZOYRRSCCG-UHFFFAOYSA-N	0	3	300.450	2.897	20	30		DFEDHN
C[C@H](CCC#N)CNCc1ccncc1OC[C@@H]1CCOC1	ZINC000602660927	399507240	/nfs/dbraw/zinc/50/72/40/399507240.db2.gz	BKMUAHVTCJLFPJ-HUUCEWRRSA-N	0	3	303.406	2.526	20	30		DFEDHN
COc1cc(CCNCc2cccc(C#N)n2)ccc1Cl	ZINC000602674126	399515025	/nfs/dbraw/zinc/51/50/25/399515025.db2.gz	CWAFMPUKCZDVAY-UHFFFAOYSA-N	0	3	301.777	2.948	20	30		DFEDHN
Cn1cc(CN[C@H]2CC[C@@H](CC#N)C2)c(C(=O)OC(C)(C)C)n1	ZINC000602678078	399516574	/nfs/dbraw/zinc/51/65/74/399516574.db2.gz	BOFOWPWRSNSRIU-JSGCOSHPSA-N	0	3	318.421	2.547	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NCc1cccc(CN(C)C)c1)OCC	ZINC000270049516	208103745	/nfs/dbraw/zinc/10/37/45/208103745.db2.gz	QTGZSPJRHNZIBF-QGZVFWFLSA-N	0	3	304.434	2.736	20	30		DFEDHN
C[C@@H](CCC#N)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000602706831	399531616	/nfs/dbraw/zinc/53/16/16/399531616.db2.gz	MRQVYOCTUFCTCL-UHOSZYNNSA-N	0	3	313.445	2.511	20	30		DFEDHN
COC(=O)COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1	ZINC000611978969	399554020	/nfs/dbraw/zinc/55/40/20/399554020.db2.gz	SGQSMWRVAJGIJR-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
COc1ccc(C[C@@H](C)CN2CCN(CCC#N)CC2)cc1F	ZINC000602748721	399554748	/nfs/dbraw/zinc/55/47/48/399554748.db2.gz	QZRBXAYMWWQUBK-OAHLLOKOSA-N	0	3	319.424	2.544	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000158833232	197304359	/nfs/dbraw/zinc/30/43/59/197304359.db2.gz	AIMGTICQSLSTFE-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1	ZINC000271013602	208551667	/nfs/dbraw/zinc/55/16/67/208551667.db2.gz	SLOQKSZILQWPEV-HUUCEWRRSA-N	0	3	315.335	2.880	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288081753	335049385	/nfs/dbraw/zinc/04/93/85/335049385.db2.gz	FZYWVGKFYNXEAE-JZXOWHBKSA-N	0	3	316.445	2.747	20	30		DFEDHN
N#CCC1(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1	ZINC000602760841	399559214	/nfs/dbraw/zinc/55/92/14/399559214.db2.gz	CYOVAKHLTFFTAG-HNNXBMFYSA-N	0	3	313.449	2.878	20	30		DFEDHN
N#Cc1ccc(OC2CCN(Cc3cc[nH]c(=O)c3)CC2)cc1	ZINC000602771269	399565191	/nfs/dbraw/zinc/56/51/91/399565191.db2.gz	BHAZJXBRDHBVJE-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
C=C(CNC(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1	ZINC000287950095	335050325	/nfs/dbraw/zinc/05/03/25/335050325.db2.gz	GUDIVZDDKFXRCT-QGZVFWFLSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1	ZINC000288009174	335051229	/nfs/dbraw/zinc/05/12/29/335051229.db2.gz	LZQMTNWHNMNXJF-DOTOQJQBSA-N	0	3	301.434	2.824	20	30		DFEDHN
CN(CCCOc1cccc(C#N)c1)CCc1nccs1	ZINC000157816086	197217727	/nfs/dbraw/zinc/21/77/27/197217727.db2.gz	GOCUNYPJGINXJO-UHFFFAOYSA-N	0	3	301.415	2.958	20	30		DFEDHN
N#CCC1(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)CC1	ZINC000602799790	399580055	/nfs/dbraw/zinc/58/00/55/399580055.db2.gz	UJNUXUVUYZGNLU-INIZCTEOSA-N	0	3	315.461	2.795	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(C2CC2)c1)C(C)C	ZINC000625556310	399585214	/nfs/dbraw/zinc/58/52/14/399585214.db2.gz	GPHLAUFYMTWMKS-KRWDZBQOSA-N	0	3	316.449	2.646	20	30		DFEDHN
N#CCCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000612115726	399585513	/nfs/dbraw/zinc/58/55/13/399585513.db2.gz	XMBOGLTWXLXXCM-KRWDZBQOSA-N	0	3	314.433	2.502	20	30		DFEDHN
CN1C(=O)C[C@H](NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1	ZINC000602820905	399589295	/nfs/dbraw/zinc/58/92/95/399589295.db2.gz	NDQJYLFYWITUFR-HOCLYGCPSA-N	0	3	317.820	2.895	20	30		DFEDHN
CN1CC[C@H](NCC2(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1	ZINC000602823016	399590207	/nfs/dbraw/zinc/59/02/07/399590207.db2.gz	ISVNXWCBIRZTSV-JKSUJKDBSA-N	0	3	305.372	2.993	20	30		DFEDHN
CN1CC[C@H](NCC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1	ZINC000602823014	399590822	/nfs/dbraw/zinc/59/08/22/399590822.db2.gz	ISVNXWCBIRZTSV-HOTGVXAUSA-N	0	3	305.372	2.993	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1	ZINC000632190408	399597470	/nfs/dbraw/zinc/59/74/70/399597470.db2.gz	SDPSRUUCOFKXSB-UHFFFAOYSA-N	0	3	314.429	2.938	20	30		DFEDHN
C[C@@H](CCN1C[C@@H](C)N(CC#N)[C@@H](C)C1)OCc1ccccc1	ZINC000602853035	399603530	/nfs/dbraw/zinc/60/35/30/399603530.db2.gz	GAVUKDKTXAAWSE-KSZLIROESA-N	0	3	315.461	2.900	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000294785867	224221186	/nfs/dbraw/zinc/22/11/86/224221186.db2.gz	AWARIBNWBKQMEA-JHJVBQTASA-N	0	3	317.393	2.640	20	30		DFEDHN
N#Cc1cccc(CNCCNC(=O)c2ccc(Cl)cc2)c1	ZINC000065979021	542456507	/nfs/dbraw/zinc/45/65/07/542456507.db2.gz	UGMBFYSXXREMHY-UHFFFAOYSA-N	0	3	313.788	2.731	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2cccc(OC(C)C)c2)C1	ZINC000625699635	399615563	/nfs/dbraw/zinc/61/55/63/399615563.db2.gz	BMMPDKXXBHZPQX-INIZCTEOSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1	ZINC000625702099	399617345	/nfs/dbraw/zinc/61/73/45/399617345.db2.gz	SNKNEEUAXLVALM-LSDHHAIUSA-N	0	3	302.418	2.770	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC(Cc2nccn2C)CC1	ZINC000120877592	195255988	/nfs/dbraw/zinc/25/59/88/195255988.db2.gz	FXWVOTRSFLNQTQ-UHFFFAOYSA-N	0	3	324.428	2.755	20	30		DFEDHN
C=CC[C@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000625703820	399618638	/nfs/dbraw/zinc/61/86/38/399618638.db2.gz	PKEAFFLKYWKOEW-DOTOQJQBSA-N	0	3	303.402	2.527	20	30		DFEDHN
Cc1cnn(CCN2CCC(Nc3ccccc3C#N)CC2)c1	ZINC000602897714	399618717	/nfs/dbraw/zinc/61/87/17/399618717.db2.gz	CWVOKZXRWOGEFE-UHFFFAOYSA-N	0	3	309.417	2.640	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000289660142	221135561	/nfs/dbraw/zinc/13/55/61/221135561.db2.gz	CSSZBSDNQJDPIO-UHFFFAOYSA-N	0	3	318.424	2.994	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@](C)(CC)c1ccc(F)cc1	ZINC000602925859	399630050	/nfs/dbraw/zinc/63/00/50/399630050.db2.gz	ZNGUGJVOTFDLBA-QGZVFWFLSA-N	0	3	305.397	2.803	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C	ZINC000620910954	399630255	/nfs/dbraw/zinc/63/02/55/399630255.db2.gz	ZQSQBLDITJRDQI-KRWDZBQOSA-N	0	3	320.477	2.857	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@H](CO)C2CCCC2)c1	ZINC000289711294	221172347	/nfs/dbraw/zinc/17/23/47/221172347.db2.gz	YPINWPBTSOYIFN-OAHLLOKOSA-N	0	3	323.234	2.961	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)c[nH]1	ZINC000289737518	221191940	/nfs/dbraw/zinc/19/19/40/221191940.db2.gz	LBWNSWMLYBNXCX-UHFFFAOYSA-N	0	3	302.422	2.615	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1	ZINC000612355757	399630902	/nfs/dbraw/zinc/63/09/02/399630902.db2.gz	XWFUDJWIWKBCDR-FUHWJXTLSA-N	0	3	314.433	2.625	20	30		DFEDHN
COc1cc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)ccc1C#N	ZINC000289836971	221259382	/nfs/dbraw/zinc/25/93/82/221259382.db2.gz	MZDYQTODRLDZEE-QUCCMNQESA-N	0	3	322.408	2.823	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c(F)c1	ZINC000289951601	221336915	/nfs/dbraw/zinc/33/69/15/221336915.db2.gz	UVYMWOYNAPXRAV-PKOBYXMFSA-N	0	3	310.372	2.953	20	30		DFEDHN
C#Cc1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1	ZINC000289075774	335059912	/nfs/dbraw/zinc/05/99/12/335059912.db2.gz	JZZVAFPQHGDKSY-UHFFFAOYSA-N	0	3	304.393	2.931	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1C#N	ZINC000602997195	399655071	/nfs/dbraw/zinc/65/50/71/399655071.db2.gz	FPDNUCKFUGJLCC-ULQDDVLXSA-N	0	3	300.402	2.692	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)C1	ZINC000603075699	399673842	/nfs/dbraw/zinc/67/38/42/399673842.db2.gz	ZEZQXGWTHQDFTG-NHYWBVRUSA-N	0	3	304.369	2.548	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@]1(C)C1CCCCC1)C1CC1	ZINC000603029158	399661719	/nfs/dbraw/zinc/66/17/19/399661719.db2.gz	KEOUUCYRUHEWEU-ZWKOTPCHSA-N	0	3	303.450	2.840	20	30		DFEDHN
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCC[C@@H]1C#N	ZINC000602981062	399648383	/nfs/dbraw/zinc/64/83/83/399648383.db2.gz	ZDDSPCQTTXFLLQ-HZPDHXFCSA-N	0	3	305.466	2.895	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)CNCCO2	ZINC000625897640	399680088	/nfs/dbraw/zinc/68/00/88/399680088.db2.gz	MWBKDRGUZOKCKQ-UHFFFAOYSA-N	0	3	303.406	2.892	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccccc1	ZINC000603128633	399689463	/nfs/dbraw/zinc/68/94/63/399689463.db2.gz	XZBUYLMVKSKIRF-SJORKVTESA-N	0	3	321.384	2.520	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccccc1	ZINC000603128624	399689475	/nfs/dbraw/zinc/68/94/75/399689475.db2.gz	XZBUYLMVKSKIRF-IAGOWNOFSA-N	0	3	321.384	2.520	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccnc(C#N)c1	ZINC000603134552	399691280	/nfs/dbraw/zinc/69/12/80/399691280.db2.gz	DUIJRDBLEAHZDV-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000617352921	399675564	/nfs/dbraw/zinc/67/55/64/399675564.db2.gz	AJLYIHCJZKKGJS-CQSZACIVSA-N	0	3	302.418	2.854	20	30		DFEDHN
N#Cc1ccc(F)cc1Cn1cc(CNC2CCCCC2)nn1	ZINC000603219175	399713589	/nfs/dbraw/zinc/71/35/89/399713589.db2.gz	XFGYKNWCCGOPIG-UHFFFAOYSA-N	0	3	313.380	2.759	20	30		DFEDHN
N#C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1Cl	ZINC000612740570	399714499	/nfs/dbraw/zinc/71/44/99/399714499.db2.gz	ORXJSULHTINKBG-HZPDHXFCSA-N	0	3	317.820	2.895	20	30		DFEDHN
C#CCCCCNCc1cn2ccc(Br)cc2n1	ZINC000289624614	335062023	/nfs/dbraw/zinc/06/20/23/335062023.db2.gz	WNQBYJVLYAWESP-UHFFFAOYSA-N	0	3	306.207	2.990	20	30		DFEDHN
C#Cc1ccc(CN(C)C[C@H]2CCCN2c2cccnn2)cc1	ZINC000289267399	335061377	/nfs/dbraw/zinc/06/13/77/335061377.db2.gz	DRUZBOWJBNCPSA-GOSISDBHSA-N	0	3	306.413	2.559	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2cc(C#N)c(Br)cn2)CCN1C	ZINC000603296972	399735749	/nfs/dbraw/zinc/73/57/49/399735749.db2.gz	MXUJNVPTAGWECW-PWSUYJOCSA-N	0	3	323.238	2.635	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]1Cn1ccnc1C	ZINC000121146412	195299142	/nfs/dbraw/zinc/29/91/42/195299142.db2.gz	WYSCZWNTNFOBIE-QGZVFWFLSA-N	0	3	310.401	2.736	20	30		DFEDHN
COc1ccc(CN[C@H]2CCCN(c3ccccn3)C2)cc1C#N	ZINC000121840385	195359022	/nfs/dbraw/zinc/35/90/22/195359022.db2.gz	RIIRYTQFLUTZQH-KRWDZBQOSA-N	0	3	322.412	2.720	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](Cc2nccn2C)C1	ZINC000121612795	195316801	/nfs/dbraw/zinc/31/68/01/195316801.db2.gz	POMXTBUVJIQPPF-INIZCTEOSA-N	0	3	324.428	2.755	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1Nc1cc(C#N)c(Br)cn1	ZINC000603308306	399739395	/nfs/dbraw/zinc/73/93/95/399739395.db2.gz	GRPYZJKDNOXXBG-TVQRCGJNSA-N	0	3	321.222	2.610	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@](CO)(C(C)C)C1	ZINC000292895471	533496265	/nfs/dbraw/zinc/49/62/65/533496265.db2.gz	AAOBHZGARFPFDN-SFHVURJKSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000603426686	399774105	/nfs/dbraw/zinc/77/41/05/399774105.db2.gz	IGPLKQJSCHPLAE-NSHDSACASA-N	0	3	316.304	2.613	20	30		DFEDHN
C=C(C)[C@@H](NC[C@@H](O)CN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000289573380	335064451	/nfs/dbraw/zinc/06/44/51/335064451.db2.gz	QQTLFNLWQQDHJR-RHSMWYFYSA-N	0	3	310.388	2.627	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C)o2)CC1	ZINC000194233427	335064660	/nfs/dbraw/zinc/06/46/60/335064660.db2.gz	OBEBTKKABBUFCL-UHFFFAOYSA-N	0	3	305.422	2.770	20	30		DFEDHN
CCN(C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)C	ZINC000162606373	542739785	/nfs/dbraw/zinc/73/97/85/542739785.db2.gz	WEXOEVUDTHKYIN-UHFFFAOYSA-N	0	3	316.449	2.772	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)CC1	ZINC000613166004	399809309	/nfs/dbraw/zinc/80/93/09/399809309.db2.gz	SYALUXXWOXDGOX-MYBQVCMBSA-N	0	3	318.465	2.585	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H]1CCc2c1cc(Br)cc2F	ZINC000289895388	335066852	/nfs/dbraw/zinc/06/68/52/335066852.db2.gz	SVEHYQHBBJRMRQ-TVQRCGJNSA-N	0	3	300.171	2.712	20	30		DFEDHN
N#Cc1cnn2cc(CNCCCCc3ccccc3)cnc12	ZINC000603893088	399814847	/nfs/dbraw/zinc/81/48/47/399814847.db2.gz	XJTWDGFVKRPFLJ-UHFFFAOYSA-N	0	3	305.385	2.713	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc3cccnc3c2)CC1	ZINC000633042017	399829906	/nfs/dbraw/zinc/82/99/06/399829906.db2.gz	PWNLTCXSWJEHKE-UHFFFAOYSA-N	0	3	324.428	2.684	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1	ZINC000289945534	335067181	/nfs/dbraw/zinc/06/71/81/335067181.db2.gz	WDODQPLOJIJXKY-GXSJLCMTSA-N	0	3	300.196	2.655	20	30		DFEDHN
C#Cc1ccccc1CC(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000289907919	335067199	/nfs/dbraw/zinc/06/71/99/335067199.db2.gz	NQULFGDRVSOTKF-IBGZPJMESA-N	0	3	306.409	2.630	20	30		DFEDHN
C[C@H](C1CC1)N(CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000625083147	399842177	/nfs/dbraw/zinc/84/21/77/399842177.db2.gz	FSSFEFHRTXQGHT-CQSZACIVSA-N	0	3	322.408	2.549	20	30		DFEDHN
C[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C1=CCN(C)CC1	ZINC000329567546	543105768	/nfs/dbraw/zinc/10/57/68/543105768.db2.gz	PERUHFVYICMEEK-GFCCVEGCSA-N	0	3	313.401	2.980	20	30		DFEDHN
CC(C)c1noc(CCCNCc2ccc(C#N)cc2F)n1	ZINC000344149122	543171100	/nfs/dbraw/zinc/17/11/00/543171100.db2.gz	GRDGHYNGHLSDSD-UHFFFAOYSA-N	0	3	302.353	2.926	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](C(C)(C)C)C1=O)C(C)C	ZINC000348780367	543187514	/nfs/dbraw/zinc/18/75/14/543187514.db2.gz	PCHJWRJYRFWMAD-CABCVRRESA-N	0	3	321.465	2.652	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cncc(F)c2)CC1	ZINC000359276754	543272962	/nfs/dbraw/zinc/27/29/62/543272962.db2.gz	CNMLWXNQXKIQEY-ZDUSSCGKSA-N	0	3	320.412	2.621	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)s2)cc1	ZINC000362939591	543284196	/nfs/dbraw/zinc/28/41/96/543284196.db2.gz	CFZKUPQNPIEEQB-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
C=CCOCCNCc1cc(Br)cc2c1OCC2	ZINC000385552631	543299914	/nfs/dbraw/zinc/29/99/14/543299914.db2.gz	QKDFMQWLXRTGCK-UHFFFAOYSA-N	0	3	312.207	2.676	20	30		DFEDHN
C[C@@H]1SCCN(CCC(=O)Nc2cccc(C#N)c2)[C@H]1C	ZINC000072665683	145189030	/nfs/dbraw/zinc/18/90/30/145189030.db2.gz	IXBIYQWFGCXXDW-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)C1	ZINC000633454790	399905359	/nfs/dbraw/zinc/90/53/59/399905359.db2.gz	OKDRKWMLSPNXDR-UHFFFAOYSA-N	0	3	318.417	2.930	20	30		DFEDHN
C=C1CC(C)(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1	ZINC000630929431	399949279	/nfs/dbraw/zinc/94/92/79/399949279.db2.gz	WPJUWOHQGRWLSR-UHFFFAOYSA-N	0	3	316.445	2.642	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1	ZINC000630941384	399950812	/nfs/dbraw/zinc/95/08/12/399950812.db2.gz	CPFVJBYWWYNMGN-INIZCTEOSA-N	0	3	304.821	2.746	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000634092218	399982917	/nfs/dbraw/zinc/98/29/17/399982917.db2.gz	RRAZMSPZCJPQDM-UHFFFAOYSA-N	0	3	302.422	2.857	20	30		DFEDHN
C=CCN1CCC(NCc2c(OC)cc(F)cc2OC)CC1	ZINC000631065125	399973039	/nfs/dbraw/zinc/97/30/39/399973039.db2.gz	QOHPXVOWXRWPJT-UHFFFAOYSA-N	0	3	308.397	2.583	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1cc(N2CCN(C)CC2)ccn1	ZINC000634195866	399996423	/nfs/dbraw/zinc/99/64/23/399996423.db2.gz	IAJIZFVKAQUJMU-UHFFFAOYSA-N	0	3	314.433	2.540	20	30		DFEDHN
C=CCCC(C)(C)CNCc1ccc(S(N)(=O)=O)cc1F	ZINC000631217749	400006312	/nfs/dbraw/zinc/00/63/12/400006312.db2.gz	DLNBLCKRVUNCCN-UHFFFAOYSA-N	0	3	314.426	2.555	20	30		DFEDHN
CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](N)CCCC#N	ZINC000424090734	543342207	/nfs/dbraw/zinc/34/22/07/543342207.db2.gz	LAAYWHXZSQRECK-ZDUSSCGKSA-N	0	3	313.323	2.685	20	30		DFEDHN
CN(C[C@H]1CCCN1C)c1ccc(Br)cc1C#N	ZINC000229175035	146011474	/nfs/dbraw/zinc/01/14/74/146011474.db2.gz	YKGINGRJAJFUKU-CYBMUJFWSA-N	0	3	308.223	2.851	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3nccs3)C2)cc1	ZINC000246022517	146115164	/nfs/dbraw/zinc/11/51/64/146115164.db2.gz	MPSMPCYVTNWRMF-HZPDHXFCSA-N	0	3	313.426	2.928	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000248923723	146178783	/nfs/dbraw/zinc/17/87/83/146178783.db2.gz	WWPAXUPSSWRLMF-DNVCBOLYSA-N	0	3	319.408	2.809	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)o1	ZINC000354576578	147085741	/nfs/dbraw/zinc/08/57/41/147085741.db2.gz	ZURBSMGUTUZCHB-UHFFFAOYSA-N	0	3	303.406	2.878	20	30		DFEDHN
C[C@H](CCN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000354853659	147177004	/nfs/dbraw/zinc/17/70/04/147177004.db2.gz	PXVYDSUYHVPBOD-KDOFPFPSSA-N	0	3	307.397	2.868	20	30		DFEDHN
Cc1cnn(CC2CCN(CCOc3ccc(C#N)cc3)CC2)c1	ZINC000357836771	148143249	/nfs/dbraw/zinc/14/32/49/148143249.db2.gz	DJFFOMFRQKBOPA-UHFFFAOYSA-N	0	3	324.428	2.854	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(C#N)ccn1)N(C)C	ZINC000357851339	148148685	/nfs/dbraw/zinc/14/86/85/148148685.db2.gz	MHIPZHLUGITLKI-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(C#N)c(F)c1)CC2	ZINC000358314904	148326794	/nfs/dbraw/zinc/32/67/94/148326794.db2.gz	XBQBIUFKTCHMQM-AWEZNQCLSA-N	0	3	313.380	2.517	20	30		DFEDHN
N#Cc1cnc2ccc(Cl)cc2c1NCCN1CCCC1	ZINC000359510522	148678145	/nfs/dbraw/zinc/67/81/45/148678145.db2.gz	UDHXGICWZQPRHE-UHFFFAOYSA-N	0	3	300.793	2.689	20	30		DFEDHN
Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)cc(C#N)n1	ZINC000361007397	149005572	/nfs/dbraw/zinc/00/55/72/149005572.db2.gz	PZNGEPWSYVGBSZ-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
C[C@@H](O)[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000361069755	149022348	/nfs/dbraw/zinc/02/23/48/149022348.db2.gz	TVZQKJFIWMMLBL-RDTXWAMCSA-N	0	3	324.428	2.694	20	30		DFEDHN
C=CCCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000660637605	543529585	/nfs/dbraw/zinc/52/95/85/543529585.db2.gz	FWQFKYKXXCWUQL-UHFFFAOYSA-N	0	3	317.433	2.537	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1cc(C#N)n(C)c1	ZINC000361547131	149144009	/nfs/dbraw/zinc/14/40/09/149144009.db2.gz	DVHSKSLJHBGDTG-IAGOWNOFSA-N	0	3	322.456	2.992	20	30		DFEDHN
COCCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[C@H](C)C1	ZINC000361637677	149176046	/nfs/dbraw/zinc/17/60/46/149176046.db2.gz	ANCGPVAOVBLFGK-GOEBONIOSA-N	0	3	312.417	2.843	20	30		DFEDHN
CC(C(=O)Nc1ccnn1-c1ccc(C#N)cc1)C(F)(F)F	ZINC000361790300	149219863	/nfs/dbraw/zinc/21/98/63/149219863.db2.gz	ZMWJFWXKVYFDEN-VIFPVBQESA-N	0	3	308.263	2.881	20	30		DFEDHN
CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000362913201	149395768	/nfs/dbraw/zinc/39/57/68/149395768.db2.gz	PWVFOXHJUSXAFG-SFHVURJKSA-N	0	3	313.445	2.995	20	30		DFEDHN
CN(Cc1ccc(C#N)s1)C1CCN(c2ncccn2)CC1	ZINC000371420743	150044125	/nfs/dbraw/zinc/04/41/25/150044125.db2.gz	DYPIHEASJGJOIZ-UHFFFAOYSA-N	0	3	313.430	2.511	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c[nH]1	ZINC000371486015	150053951	/nfs/dbraw/zinc/05/39/51/150053951.db2.gz	SFJSZXVULGDAIS-MRXNPFEDSA-N	0	3	322.412	2.528	20	30		DFEDHN
Cc1ccnc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1C#N	ZINC000371691686	150081689	/nfs/dbraw/zinc/08/16/89/150081689.db2.gz	CACMKIHSBKUVLM-YQQAZPJKSA-N	0	3	314.433	2.563	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21	ZINC000373180902	150242895	/nfs/dbraw/zinc/24/28/95/150242895.db2.gz	XBZLJHFHUFYSBU-XHDPSFHLSA-N	0	3	318.808	2.770	20	30		DFEDHN
Cc1nnc2n1C[C@@H](N[C@@H](C)c1ccc(C#N)cc1Cl)CC2	ZINC000373898709	150275455	/nfs/dbraw/zinc/27/54/55/150275455.db2.gz	QXQSDCCWYIHYNL-GWCFXTLKSA-N	0	3	315.808	2.777	20	30		DFEDHN
Cc1cnn(CCN2CCC(Oc3ccc(C#N)cc3)CC2)c1	ZINC000373953989	150284332	/nfs/dbraw/zinc/28/43/32/150284332.db2.gz	LSLPCESWEZVSKT-UHFFFAOYSA-N	0	3	310.401	2.607	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000378364826	150797668	/nfs/dbraw/zinc/79/76/68/150797668.db2.gz	SCPQMLBUBVUIOY-MDASCCDHSA-N	0	3	324.428	2.941	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)C1	ZINC000248854045	158204768	/nfs/dbraw/zinc/20/47/68/158204768.db2.gz	KGZRPJLFCCLZMW-UONOGXRCSA-N	0	3	300.406	2.800	20	30		DFEDHN
C[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1F	ZINC000358580587	158390627	/nfs/dbraw/zinc/39/06/27/158390627.db2.gz	YDKWDZJZXZYOAV-HIFRSBDPSA-N	0	3	306.381	2.934	20	30		DFEDHN
C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(C#N)cc1	ZINC000285028253	287019680	/nfs/dbraw/zinc/01/96/80/287019680.db2.gz	HLCPQKDHFPKXKN-CYBMUJFWSA-N	0	3	306.431	2.566	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1OC	ZINC000290204291	335070333	/nfs/dbraw/zinc/07/03/33/335070333.db2.gz	PXIKVWVXLZHMDZ-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000271632775	209076359	/nfs/dbraw/zinc/07/63/59/209076359.db2.gz	FYGMKFBNFXGUHL-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1C#N	ZINC000132679579	196274698	/nfs/dbraw/zinc/27/46/98/196274698.db2.gz	GNSWCLORJULLMI-SWLSCSKDSA-N	0	3	315.417	2.821	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC=C(c3cccnc3)C2)cc1	ZINC000295682857	225119415	/nfs/dbraw/zinc/11/94/15/225119415.db2.gz	CMIWBJTXKZQQNC-IBGZPJMESA-N	0	3	305.381	2.776	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1OC	ZINC000668556829	543826277	/nfs/dbraw/zinc/82/62/77/543826277.db2.gz	ZJDJELFALMBXHY-IBGZPJMESA-N	0	3	317.429	2.997	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)CC1	ZINC000668370344	543798795	/nfs/dbraw/zinc/79/87/95/543798795.db2.gz	VKRWLGBFHPDBNC-GDBMZVCRSA-N	0	3	312.404	2.969	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(OC)c2C)CC1	ZINC000668370446	543798804	/nfs/dbraw/zinc/79/88/04/543798804.db2.gz	XRNQYYHFMRUIRV-UHFFFAOYSA-N	0	3	302.418	2.774	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1	ZINC000668717299	543853688	/nfs/dbraw/zinc/85/36/88/543853688.db2.gz	ULCZLEFYYUKHPF-KRWDZBQOSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H]([C@H]3CNC(=O)C3)C2)c1	ZINC000671443533	544072502	/nfs/dbraw/zinc/07/25/02/544072502.db2.gz	UPLURYNRPWMXJR-DLBZAZTESA-N	0	3	314.429	2.600	20	30		DFEDHN
O=C1C[C@H]([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)CN1	ZINC000671453266	544075027	/nfs/dbraw/zinc/07/50/27/544075027.db2.gz	KULHLCVCYXUQTR-HOTGVXAUSA-N	0	3	316.832	2.540	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000290420642	335073728	/nfs/dbraw/zinc/07/37/28/335073728.db2.gz	JPDQBBMLOLUXSW-BBRMVZONSA-N	0	3	308.397	2.526	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc3ccccc3n2)CC1	ZINC000291415638	335082030	/nfs/dbraw/zinc/08/20/30/335082030.db2.gz	CQYIDGDXHWATFT-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
C=CCN(C(=O)N[C@H](C)CN(C)Cc1ccccc1)C1CC1	ZINC000291694314	335083234	/nfs/dbraw/zinc/08/32/34/335083234.db2.gz	BUSHDBGKEMBGKP-OAHLLOKOSA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@H]1C[C@H](Nc2ncc(Br)cc2C#N)CN1C1CC1	ZINC000297509283	227248675	/nfs/dbraw/zinc/24/86/75/227248675.db2.gz	NQMGRKBOHOPPKP-CABZTGNLSA-N	0	3	321.222	2.753	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCCOC[C@H]1C)C(C)C	ZINC000676540793	544384934	/nfs/dbraw/zinc/38/49/34/544384934.db2.gz	LQCOCEBHOINJEQ-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC)[C@H](C)C2)cc(OC)c1O	ZINC000678261799	544635921	/nfs/dbraw/zinc/63/59/21/544635921.db2.gz	UBFYKIMOUYTLBV-CQSZACIVSA-N	0	3	304.434	2.655	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@H]3CCCC[C@@H]32)cc1	ZINC000299348131	229064390	/nfs/dbraw/zinc/06/43/90/229064390.db2.gz	BPWIRVOYVMNNRJ-MSOLQXFVSA-N	0	3	311.429	2.829	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1cnc(C#N)cn1	ZINC000302264111	230202843	/nfs/dbraw/zinc/20/28/43/230202843.db2.gz	DYFXDGXUJJDEIK-MAUKXSAKSA-N	0	3	321.428	2.695	20	30		DFEDHN
Cc1ccc(NCCCCN2C[C@@H](C)O[C@H](C)C2)nc1C#N	ZINC000302628641	230324390	/nfs/dbraw/zinc/32/43/90/230324390.db2.gz	IRFMGLRHDLLTCB-HUUCEWRRSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000057870468	425897130	/nfs/dbraw/zinc/89/71/30/425897130.db2.gz	QASUDJWIHMVPPD-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1cc(CN2CCC(O[C@@H]3CCOC3)CC2)ccc1C#N	ZINC000488426930	269912912	/nfs/dbraw/zinc/91/29/12/269912912.db2.gz	IVCPZXQENNQMOX-GOSISDBHSA-N	0	3	300.402	2.637	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000155683059	425924119	/nfs/dbraw/zinc/92/41/19/425924119.db2.gz	PLSGPGLXWBPYDU-ZOBUZTSGSA-N	0	3	301.434	2.913	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCc3c[nH]nc3C2)c(C(F)(F)F)c1	ZINC000352812411	269999190	/nfs/dbraw/zinc/99/91/90/269999190.db2.gz	YWHAORFFGIDIJN-ZDUSSCGKSA-N	0	3	320.318	2.947	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1	ZINC000414545040	270000056	/nfs/dbraw/zinc/00/00/56/270000056.db2.gz	FJBSBBFAMKCGMX-MJGOQNOKSA-N	0	3	305.381	2.668	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000415055167	270000227	/nfs/dbraw/zinc/00/02/27/270000227.db2.gz	MOZGDRHEOWRRJH-DLBZAZTESA-N	0	3	320.396	2.825	20	30		DFEDHN
Cc1ncccc1OC[C@H]1CCCN1Cc1cc(C#N)n(C)c1	ZINC000418138084	270000343	/nfs/dbraw/zinc/00/03/43/270000343.db2.gz	FWMATQOAIBQAPQ-MRXNPFEDSA-N	0	3	310.401	2.644	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CCN1CCOC	ZINC000488170466	270002182	/nfs/dbraw/zinc/00/21/82/270002182.db2.gz	VXHVUPLWHFHTLY-LJQANCHMSA-N	0	3	315.461	2.799	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1	ZINC000157253839	425937724	/nfs/dbraw/zinc/93/77/24/425937724.db2.gz	ZGIPNVPIPZNXDP-AEFFLSMTSA-N	0	3	314.429	2.808	20	30		DFEDHN
CCC(CC)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC	ZINC000292224714	266000772	/nfs/dbraw/zinc/00/07/72/266000772.db2.gz	AVBDSSFINGXQLM-INIZCTEOSA-N	0	3	313.401	2.562	20	30		DFEDHN
CCCC[C@H](COC)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280321770	266039788	/nfs/dbraw/zinc/03/97/88/266039788.db2.gz	GTWMPZCHLGQODZ-IAGOWNOFSA-N	0	3	313.401	2.562	20	30		DFEDHN
CCN(C)CCNC(=O)c1sc2ccc(C#N)cc2c1C	ZINC000340308215	266101724	/nfs/dbraw/zinc/10/17/24/266101724.db2.gz	PRZZTYLOXLWZCG-UHFFFAOYSA-N	0	3	301.415	2.763	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C#N)c1C	ZINC000178557312	266145122	/nfs/dbraw/zinc/14/51/22/266145122.db2.gz	YTFIBFCQKSYNRP-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000352474765	266146016	/nfs/dbraw/zinc/14/60/16/266146016.db2.gz	JYYYFWUOJNDFGN-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000341191802	266334883	/nfs/dbraw/zinc/33/48/83/266334883.db2.gz	GANPOIFDMQJXLB-JSGCOSHPSA-N	0	3	316.405	2.561	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1(F)F	ZINC000290908612	267042005	/nfs/dbraw/zinc/04/20/05/267042005.db2.gz	LKYCLERZGOGKFF-DOMZBBRYSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)[C@H](C)CN1C	ZINC000347002844	267054365	/nfs/dbraw/zinc/05/43/65/267054365.db2.gz	DNFVOKFXZAJKQJ-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448638318	267060899	/nfs/dbraw/zinc/06/08/99/267060899.db2.gz	LNZBCIKLGMZEOQ-GOSISDBHSA-N	0	3	324.428	2.710	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C#N)c(C)c1)CC2	ZINC000488413799	267154146	/nfs/dbraw/zinc/15/41/46/267154146.db2.gz	ZWZXXUAZANMPOE-ZWKOTPCHSA-N	0	3	314.429	2.619	20	30		DFEDHN
C[C@H](CN(C)C)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000349449587	267155772	/nfs/dbraw/zinc/15/57/72/267155772.db2.gz	IFTXMEVAKMYPEE-SECBINFHSA-N	0	3	314.311	2.649	20	30		DFEDHN
C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC[C@@H]1C	ZINC000343065803	267160070	/nfs/dbraw/zinc/16/00/70/267160070.db2.gz	AETNIODTHJLADC-JKSUJKDBSA-N	0	3	313.445	2.870	20	30		DFEDHN
C[C@H](COc1cccc(F)c1)NCc1cnc2ccc(C#N)cn12	ZINC000342731526	267166383	/nfs/dbraw/zinc/16/63/83/267166383.db2.gz	RHSMLFHHSZKIDC-CYBMUJFWSA-N	0	3	324.359	2.902	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC1(C)C	ZINC000419313665	267193733	/nfs/dbraw/zinc/19/37/33/267193733.db2.gz	GJUYUWJOFDUCOW-JKSUJKDBSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccco1	ZINC000451677255	267204704	/nfs/dbraw/zinc/20/47/04/267204704.db2.gz	UJTBWAKHTKPVEE-AAEUAGOBSA-N	0	3	301.346	2.603	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC1(C)C	ZINC000419313663	267222379	/nfs/dbraw/zinc/22/23/79/267222379.db2.gz	GJUYUWJOFDUCOW-HOTGVXAUSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@H]1CN(CCCNc2nccc(C#N)c2Cl)CCCO1	ZINC000343236663	267232586	/nfs/dbraw/zinc/23/25/86/267232586.db2.gz	RODZGHNBKXJVFT-LBPRGKRZSA-N	0	3	308.813	2.519	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000531146903	267289279	/nfs/dbraw/zinc/28/92/79/267289279.db2.gz	CZOXXBKHRHIGJE-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1	ZINC000341817803	267317428	/nfs/dbraw/zinc/31/74/28/267317428.db2.gz	BWFJVTKFJWAWGC-GOEBONIOSA-N	0	3	307.401	2.904	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000449758712	267385934	/nfs/dbraw/zinc/38/59/34/267385934.db2.gz	WKFLLURCGBGFGN-MOPGFXCFSA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000030532775	267393691	/nfs/dbraw/zinc/39/36/91/267393691.db2.gz	AXLFJPIICRELMA-SUMWQHHRSA-N	0	3	314.360	2.788	20	30		DFEDHN
COc1cc(CNC[C@H]2NCCc3ccccc32)ccc1C#N	ZINC000414963344	267593209	/nfs/dbraw/zinc/59/32/09/267593209.db2.gz	XGXFDYMKUADJHB-GOSISDBHSA-N	0	3	307.397	2.543	20	30		DFEDHN
COc1cc(CNC[C@@]2(C)COc3ccccc3O2)ccc1C#N	ZINC000527735938	267593486	/nfs/dbraw/zinc/59/34/86/267593486.db2.gz	IXFHKOAKSDQVHK-IBGZPJMESA-N	0	3	324.380	2.887	20	30		DFEDHN
C[C@H](CCCC(F)(F)F)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000492400304	267818329	/nfs/dbraw/zinc/81/83/29/267818329.db2.gz	RHJMORFFJNXKPC-MFKMUULPSA-N	0	3	313.323	2.795	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000186630554	267824759	/nfs/dbraw/zinc/82/47/59/267824759.db2.gz	QAMFMGOHYKTDFM-HNNXBMFYSA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412339542	267897543	/nfs/dbraw/zinc/89/75/43/267897543.db2.gz	PSJKANBITNXMJW-KLIQENQMSA-N	0	3	323.440	2.747	20	30		DFEDHN
C[C@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1	ZINC000517033355	267906229	/nfs/dbraw/zinc/90/62/29/267906229.db2.gz	IGANVWXNKIESKC-CVEARBPZSA-N	0	3	301.346	2.514	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)on1)C(C)C	ZINC000045030085	425859646	/nfs/dbraw/zinc/85/96/46/425859646.db2.gz	UVHRDBPKDJVUGW-CQSZACIVSA-N	0	3	306.410	2.803	20	30		DFEDHN
C#CCNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1	ZINC000045639615	425861814	/nfs/dbraw/zinc/86/18/14/425861814.db2.gz	QIEOLIMVAKWTHV-UHFFFAOYSA-N	0	3	321.424	2.848	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)nc1)C(C)C	ZINC000042393406	425853198	/nfs/dbraw/zinc/85/31/98/425853198.db2.gz	AXFBWIVYVVKQRR-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
Cc1ccsc1[C@H](CO)NCCOc1ccc(C#N)cc1	ZINC000494638441	268067708	/nfs/dbraw/zinc/06/77/08/268067708.db2.gz	VLSBRUKDICDKPG-HNNXBMFYSA-N	0	3	302.399	2.630	20	30		DFEDHN
Cc1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C#N	ZINC000515018399	268069610	/nfs/dbraw/zinc/06/96/10/268069610.db2.gz	FYBNASVCSYQFSU-IBGZPJMESA-N	0	3	309.413	2.959	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C3CC3)C2)cc1	ZINC000290734403	268088326	/nfs/dbraw/zinc/08/83/26/268088326.db2.gz	WUUDFCLDRQMEKZ-QZTJIDSGSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)cc2)cc1	ZINC000347975436	268091384	/nfs/dbraw/zinc/09/13/84/268091384.db2.gz	VDZDXMNKBHCHNX-QGZVFWFLSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)ccc1F	ZINC000529716306	268177659	/nfs/dbraw/zinc/17/76/59/268177659.db2.gz	ALGIRQREPNSMLV-INIZCTEOSA-N	0	3	315.392	2.834	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)o1	ZINC000429866286	268202376	/nfs/dbraw/zinc/20/23/76/268202376.db2.gz	JYJVXHYCGDFHSI-INIZCTEOSA-N	0	3	309.369	2.718	20	30		DFEDHN
CN(C)CCOc1cc(CNc2ccc(C#N)cc2F)ccn1	ZINC000270729477	268208165	/nfs/dbraw/zinc/20/81/65/268208165.db2.gz	QQZMBYDYSNLKBP-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C(N)=O)c1	ZINC000341759322	268218939	/nfs/dbraw/zinc/21/89/39/268218939.db2.gz	TYLMCWYLKQSULK-SFHVURJKSA-N	0	3	305.381	2.824	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCc1ccc(NC(N)=O)cc1)CC2	ZINC000353390067	268223519	/nfs/dbraw/zinc/22/35/19/268223519.db2.gz	TUDTUUROZKBMEP-QGZVFWFLSA-N	0	3	306.369	2.826	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1F	ZINC000456848136	268230803	/nfs/dbraw/zinc/23/08/03/268230803.db2.gz	WESVKYPHHYFZJM-KRWDZBQOSA-N	0	3	315.392	2.721	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2cc(F)c(F)c(F)c2)o1	ZINC000443994942	268233480	/nfs/dbraw/zinc/23/34/80/268233480.db2.gz	FUDJJRZHHNHBFJ-LLVKDONJSA-N	0	3	324.302	2.509	20	30		DFEDHN
N#Cc1cccc(OCCN2C[C@H](O)C[C@H]2c2ccccc2)c1	ZINC000411958068	268285195	/nfs/dbraw/zinc/28/51/95/268285195.db2.gz	XDKVIDPOXRKMRO-MJGOQNOKSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C2CCCC2)CC1	ZINC000459301423	268289368	/nfs/dbraw/zinc/28/93/68/268289368.db2.gz	DCZDYKMDYFTLRX-UHFFFAOYSA-N	0	3	314.389	2.527	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCN(C3CC3)C[C@H](C)C2)c1C#N	ZINC000294841890	268290173	/nfs/dbraw/zinc/29/01/73/268290173.db2.gz	BFTBHQWDKBKZGB-NSHDSACASA-N	0	3	304.825	2.836	20	30		DFEDHN
N#Cc1ccsc1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000529719510	268305851	/nfs/dbraw/zinc/30/58/51/268305851.db2.gz	MSFHHRQNKYKHRR-AWEZNQCLSA-N	0	3	303.431	2.757	20	30		DFEDHN
Cc1cccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000298702431	268316861	/nfs/dbraw/zinc/31/68/61/268316861.db2.gz	FEROKXGIENDRNI-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1cscc1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000529715289	268320204	/nfs/dbraw/zinc/32/02/04/268320204.db2.gz	CVCPQWMRTRYONI-CQSZACIVSA-N	0	3	303.431	2.757	20	30		DFEDHN
C[C@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000308689381	268335481	/nfs/dbraw/zinc/33/54/81/268335481.db2.gz	DIACNHYPZSQHTK-YOEHRIQHSA-N	0	3	320.458	2.890	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000332699808	268362432	/nfs/dbraw/zinc/36/24/32/268362432.db2.gz	VWWVEOPOTRECGG-KRWDZBQOSA-N	0	3	312.417	2.959	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1cnc(C#N)cn1	ZINC000125120741	425953913	/nfs/dbraw/zinc/95/39/13/425953913.db2.gz	DYFXDGXUJJDEIK-YJBOKZPZSA-N	0	3	321.428	2.695	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1	ZINC000105905333	425968828	/nfs/dbraw/zinc/96/88/28/425968828.db2.gz	IIIQIFATVMNIHK-KRWDZBQOSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C)c(OC)c2)CC1	ZINC000106038505	425970361	/nfs/dbraw/zinc/97/03/61/425970361.db2.gz	WHCXJMOPOZNMLU-UHFFFAOYSA-N	0	3	302.418	2.774	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2cccc(F)c2)CC1	ZINC000106036883	425970830	/nfs/dbraw/zinc/97/08/30/425970830.db2.gz	RMHSUVMUFCRMKE-CQSZACIVSA-N	0	3	320.408	2.750	20	30		DFEDHN
N#Cc1ccc(OCCN(CCO)[C@@H]2CCc3ccccc32)cc1	ZINC000074311505	426045605	/nfs/dbraw/zinc/04/56/05/426045605.db2.gz	OGLJFCVCCHNNSX-HXUWFJFHSA-N	0	3	322.408	2.919	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NCCN(CC)C1CC1	ZINC000111494031	426052588	/nfs/dbraw/zinc/05/25/88/426052588.db2.gz	FXVFGGGONSTYKN-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
N#CCSCCCN1CCC[C@H](c2nnc3ccccn32)C1	ZINC000074991213	426060835	/nfs/dbraw/zinc/06/08/35/426060835.db2.gz	MJBRHQDAYVQQGB-AWEZNQCLSA-N	0	3	315.446	2.556	20	30		DFEDHN
CCN(CCCSCC#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000074991088	426061007	/nfs/dbraw/zinc/06/10/07/426061007.db2.gz	YAPCGXKHVDWWEC-MRXNPFEDSA-N	0	3	317.458	2.761	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000127463448	426068541	/nfs/dbraw/zinc/06/85/41/426068541.db2.gz	CQALSPGFKOYCNA-HNNXBMFYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1	ZINC000162581181	426069523	/nfs/dbraw/zinc/06/95/23/426069523.db2.gz	YONKCVAXQBXWTH-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
Cc1nc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)ccc1C#N	ZINC000072018199	426007214	/nfs/dbraw/zinc/00/72/14/426007214.db2.gz	OYKRAVMQLAZUNX-CYBMUJFWSA-N	0	3	314.433	2.502	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000108502165	426017532	/nfs/dbraw/zinc/01/75/32/426017532.db2.gz	UGQQQUFYRNIDBH-AWEZNQCLSA-N	0	3	314.433	2.951	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1	ZINC000126379216	426017565	/nfs/dbraw/zinc/01/75/65/426017565.db2.gz	CNCAOMXQNJERJH-LSDHHAIUSA-N	0	3	301.434	2.628	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000108502168	426018129	/nfs/dbraw/zinc/01/81/29/426018129.db2.gz	UGQQQUFYRNIDBH-CQSZACIVSA-N	0	3	314.433	2.951	20	30		DFEDHN
CCC[C@H]1[C@@H](C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000072775071	426021637	/nfs/dbraw/zinc/02/16/37/426021637.db2.gz	IYALSYAGKDSRME-HOTGVXAUSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC1(C)CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163155326	426091265	/nfs/dbraw/zinc/09/12/65/426091265.db2.gz	TVCBYJNZQRIDKA-INIZCTEOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000163152621	426091511	/nfs/dbraw/zinc/09/15/11/426091511.db2.gz	IFYAXNADUHBYBS-CKEIUWERSA-N	0	3	320.458	2.746	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000075984913	426092378	/nfs/dbraw/zinc/09/23/78/426092378.db2.gz	HLYKSCVNPCFEEP-QGZVFWFLSA-N	0	3	308.385	2.983	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000163739165	426108448	/nfs/dbraw/zinc/10/84/48/426108448.db2.gz	CBJLPPONLYDNOU-AWEZNQCLSA-N	0	3	307.463	2.835	20	30		DFEDHN
CO[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000076345596	426108827	/nfs/dbraw/zinc/10/88/27/426108827.db2.gz	WEXGSCKEVZTVRP-CQSZACIVSA-N	0	3	321.808	2.651	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccc(C(=O)NCC)cc2)cc1	ZINC000113322104	426111743	/nfs/dbraw/zinc/11/17/43/426111743.db2.gz	USJMCGGAJCKIJK-UHFFFAOYSA-N	0	3	322.408	2.738	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000128691720	426128887	/nfs/dbraw/zinc/12/88/87/426128887.db2.gz	BBVDFUJIXJDNCB-MJGOQNOKSA-N	0	3	315.461	2.994	20	30		DFEDHN
C[C@@H]1SCCN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C	ZINC000112644360	426086448	/nfs/dbraw/zinc/08/64/48/426086448.db2.gz	MECDLJKVVHSUMF-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](CNc2ccccn2)C1	ZINC000171640626	426201517	/nfs/dbraw/zinc/20/15/17/426201517.db2.gz	UUOSQMMCAFZRJU-INIZCTEOSA-N	0	3	322.412	2.766	20	30		DFEDHN
CCc1c[nH]c(SCC(=O)C(C#N)c2nc(C)cs2)n1	ZINC000129396688	426139287	/nfs/dbraw/zinc/13/92/87/426139287.db2.gz	SJOOXYBODCBSTE-JTQLQIEISA-N	0	3	306.416	2.706	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(c2ncccc2C#N)CC1	ZINC000129707905	426140011	/nfs/dbraw/zinc/14/00/11/426140011.db2.gz	IFDFLPILMYURTE-UHFFFAOYSA-N	0	3	311.433	2.795	20	30		DFEDHN
COc1ccc(CN2CCC[C@@](C)(O)C2)cc1OCCCC#N	ZINC000129560225	426140437	/nfs/dbraw/zinc/14/04/37/426140437.db2.gz	PATNARPTMITYHD-GOSISDBHSA-N	0	3	318.417	2.725	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000115367659	426162104	/nfs/dbraw/zinc/16/21/04/426162104.db2.gz	VZAAVKFPVQDBIY-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
CN(CCC#N)C(=O)CCN(Cc1ccc(F)cc1)C1CC1	ZINC000130895308	426163564	/nfs/dbraw/zinc/16/35/64/426163564.db2.gz	DPNHTRIYNCBOKU-UHFFFAOYSA-N	0	3	303.381	2.552	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)s1	ZINC000130920161	426163726	/nfs/dbraw/zinc/16/37/26/426163726.db2.gz	XNKFTNGNIQNIQQ-UHFFFAOYSA-N	0	3	313.854	2.986	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1OCCCC#N	ZINC000131961388	426166937	/nfs/dbraw/zinc/16/69/37/426166937.db2.gz	IPYWWSCFEUPSKA-UKRRQHHQSA-N	0	3	304.390	2.645	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCOC1	ZINC000132038494	426168264	/nfs/dbraw/zinc/16/82/64/426168264.db2.gz	AZSLDLJDICMOEH-KRWDZBQOSA-N	0	3	310.401	2.684	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccco2)cc1	ZINC000116290938	426185504	/nfs/dbraw/zinc/18/55/04/426185504.db2.gz	XYEXYEHDPAYUHQ-DOTOQJQBSA-N	0	3	312.369	2.728	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2cccc(C(C)C)c2)CC1	ZINC000171721303	426206421	/nfs/dbraw/zinc/20/64/21/426206421.db2.gz	WPRBVEFIYJZKBK-UHFFFAOYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000079556148	426197801	/nfs/dbraw/zinc/19/78/01/426197801.db2.gz	MIBULALOQGQHKZ-RHSMWYFYSA-N	0	3	322.412	2.669	20	30		DFEDHN
C[C@H](CNC(=O)Cc1ccc(C#N)cc1)N(C)Cc1ccccc1	ZINC000171881531	426217761	/nfs/dbraw/zinc/21/77/61/426217761.db2.gz	ACDZOPSRVHHNKM-MRXNPFEDSA-N	0	3	321.424	2.737	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)cc2)C1	ZINC000172121111	426221948	/nfs/dbraw/zinc/22/19/48/426221948.db2.gz	CXNLAHJLEUTCMV-HNNXBMFYSA-N	0	3	301.390	2.657	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2	ZINC000118398349	426235398	/nfs/dbraw/zinc/23/53/98/426235398.db2.gz	VTLIJHNVDUUHOB-CZUORRHYSA-N	0	3	309.417	2.939	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1cc(C#N)cs1	ZINC000084250471	426235586	/nfs/dbraw/zinc/23/55/86/426235586.db2.gz	IHZCFEAJAUTSKB-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
N#Cc1ccc(CNCCc2ccn(-c3ccc(F)cc3)n2)o1	ZINC000174602673	426260506	/nfs/dbraw/zinc/26/05/06/426260506.db2.gz	MERQOFDLUCPZLY-UHFFFAOYSA-N	0	3	310.332	2.808	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cc(Cl)ccc2OC)CC1	ZINC000171722354	426206867	/nfs/dbraw/zinc/20/68/67/426206867.db2.gz	XYAKOOFIWKMACG-UHFFFAOYSA-N	0	3	322.836	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccn2C)CC1	ZINC000171736857	426207817	/nfs/dbraw/zinc/20/78/17/426207817.db2.gz	ZKYYEDFWULAKBA-KRWDZBQOSA-N	0	3	316.449	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc(CC)cc2)CC1	ZINC000171727697	426208259	/nfs/dbraw/zinc/20/82/59/426208259.db2.gz	SDBRSLXMFGMADM-UHFFFAOYSA-N	0	3	300.446	2.948	20	30		DFEDHN
CCC[C@@H](C)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135330532	426214723	/nfs/dbraw/zinc/21/47/23/426214723.db2.gz	RFACIVIOACOZHX-HZPDHXFCSA-N	0	3	304.438	2.543	20	30		DFEDHN
C#CCNC(=O)[C@H](C)NCC1(c2cccs2)CCCCC1	ZINC000151843869	426314604	/nfs/dbraw/zinc/31/46/04/426314604.db2.gz	JSLYYFZJIVJGAI-AWEZNQCLSA-N	0	3	304.459	2.678	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H](C)N1C	ZINC000339619370	268850399	/nfs/dbraw/zinc/85/03/99/268850399.db2.gz	MJRAIHZQMKFEQU-TXEJJXNPSA-N	0	3	309.360	2.684	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)c1	ZINC000151262659	426287052	/nfs/dbraw/zinc/28/70/52/426287052.db2.gz	IKUMNSKBJIDQIH-OAHLLOKOSA-N	0	3	312.804	2.975	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000153711845	426401449	/nfs/dbraw/zinc/40/14/49/426401449.db2.gz	PYVFIIIBMUSJPA-QGZVFWFLSA-N	0	3	301.434	2.651	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(c3nncn3C)CC2)cc1	ZINC000091794772	426345252	/nfs/dbraw/zinc/34/52/52/426345252.db2.gz	GHPJFSHLDFEFQS-UHFFFAOYSA-N	0	3	312.417	2.760	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1	ZINC000152513174	426346165	/nfs/dbraw/zinc/34/61/65/426346165.db2.gz	LGMCFZSQAMKRNH-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cccc(SCC#N)c2)C1	ZINC000176012538	426346769	/nfs/dbraw/zinc/34/67/69/426346769.db2.gz	FZUFJUPFTXAMAN-AWEZNQCLSA-N	0	3	317.458	2.764	20	30		DFEDHN
C=CCCCC(=O)NCc1ccccc1CN1CCC(O)CC1	ZINC000176046139	426347624	/nfs/dbraw/zinc/34/76/24/426347624.db2.gz	ZCICBWJDWBGWMS-UHFFFAOYSA-N	0	3	316.445	2.616	20	30		DFEDHN
C=CCOc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1OC	ZINC000092616129	426351479	/nfs/dbraw/zinc/35/14/79/426351479.db2.gz	AOACYALNLDOLFE-QGZVFWFLSA-N	0	3	316.445	2.930	20	30		DFEDHN
N#CCCCOc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c1	ZINC000093479728	426355661	/nfs/dbraw/zinc/35/56/61/426355661.db2.gz	BCEGQCVZCBWRLO-JJTKIYQPSA-N	0	3	314.429	2.962	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@]3(CCOC3)C2)c1	ZINC000093820209	426358356	/nfs/dbraw/zinc/35/83/56/426358356.db2.gz	LMPTVPAFOBMAFL-SFHVURJKSA-N	0	3	300.402	2.982	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C/c2ccccc2F)CC1	ZINC000176285491	426366876	/nfs/dbraw/zinc/36/68/76/426366876.db2.gz	TWEZEKRQJBNETK-FNORWQNLSA-N	0	3	302.393	2.996	20	30		DFEDHN
CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccn1	ZINC000176398236	426378444	/nfs/dbraw/zinc/37/84/44/426378444.db2.gz	BFFNFEAXFUCEHR-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2c(C)noc2C)CC1	ZINC000153334758	426380849	/nfs/dbraw/zinc/38/08/49/426380849.db2.gz	LVYHLNWUWNAGMA-CYBMUJFWSA-N	0	3	319.449	2.942	20	30		DFEDHN
N#Cc1cnc(NC[C@H]2CCCCN2Cc2ccccc2)cn1	ZINC000122664462	426387868	/nfs/dbraw/zinc/38/78/68/426387868.db2.gz	QNLJXEXCWLNOPY-QGZVFWFLSA-N	0	3	307.401	2.815	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000123040970	426409913	/nfs/dbraw/zinc/40/99/13/426409913.db2.gz	RUCHCUYBVWFXKR-GJZGRUSLSA-N	0	3	302.418	2.806	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(C#N)c1)C1CC1	ZINC000153854120	426410605	/nfs/dbraw/zinc/41/06/05/426410605.db2.gz	WDMLHELCUXKGRZ-MRXNPFEDSA-N	0	3	315.417	2.951	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000154303338	426434171	/nfs/dbraw/zinc/43/41/71/426434171.db2.gz	YMQHGODUDDNWRE-CQSZACIVSA-N	0	3	307.463	2.788	20	30		DFEDHN
N#Cc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000177287534	426464463	/nfs/dbraw/zinc/46/44/63/426464463.db2.gz	YFEQOWACHBGRPF-YXJHDRRASA-N	0	3	309.413	2.505	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000098093098	426477941	/nfs/dbraw/zinc/47/79/41/426477941.db2.gz	WBGBETQWRSUNAY-IEBWSBKVSA-N	0	3	313.445	2.953	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)CC1	ZINC000280170955	426512673	/nfs/dbraw/zinc/51/26/73/426512673.db2.gz	ZDDRSQVCSVLWLE-UHFFFAOYSA-N	0	3	322.412	2.669	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C#N)ccc1C	ZINC000177810247	426524529	/nfs/dbraw/zinc/52/45/29/426524529.db2.gz	WHGZZIMWMZVYEB-CVEARBPZSA-N	0	3	312.417	2.957	20	30		DFEDHN
Cn1cc(CN2CCC[C@](C)(O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000280236927	426527913	/nfs/dbraw/zinc/52/79/13/426527913.db2.gz	WKXHCDGDLYHHQY-IBGZPJMESA-N	0	3	324.428	2.696	20	30		DFEDHN
Cn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000195492658	426531312	/nfs/dbraw/zinc/53/13/12/426531312.db2.gz	DVWNFJHMNQGEFH-SECBINFHSA-N	0	3	315.283	2.655	20	30		DFEDHN
N#Cc1cnc(NCC2(N3CCCC3)CCOCC2)c(Cl)c1	ZINC000264316798	426534554	/nfs/dbraw/zinc/53/45/54/426534554.db2.gz	UNSIGADQFUVHQJ-UHFFFAOYSA-N	0	3	320.824	2.664	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@H]2C1	ZINC000272514650	426544022	/nfs/dbraw/zinc/54/40/22/426544022.db2.gz	XLUPJKWDCXUPQZ-DOMZBBRYSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3c2cccc3F)CC1	ZINC000264397865	426547727	/nfs/dbraw/zinc/54/77/27/426547727.db2.gz	LPJPBHHYPJSAJF-QGZVFWFLSA-N	0	3	317.408	2.763	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000186193824	426492720	/nfs/dbraw/zinc/49/27/20/426492720.db2.gz	ONEICNKMHDBXCP-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
CCC[C@]1(COC)CCCN1CC(=O)NC1(C#N)CCCCC1	ZINC000194925909	426496236	/nfs/dbraw/zinc/49/62/36/426496236.db2.gz	UMZGYHZEMCOGLA-GOSISDBHSA-N	0	3	321.465	2.610	20	30		DFEDHN
C[C@H](CN1CCCCCC1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000186311917	426502696	/nfs/dbraw/zinc/50/26/96/426502696.db2.gz	WUDKMQYYVVTTPU-GFCCVEGCSA-N	0	3	321.371	2.831	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2cccc(C)c2)CC1	ZINC000264527107	426569082	/nfs/dbraw/zinc/56/90/82/426569082.db2.gz	YXWMIYPEQMUPHA-UHFFFAOYSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCCCNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000280411739	426569515	/nfs/dbraw/zinc/56/95/15/426569515.db2.gz	HYVRRSLUKYXOHM-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000264740536	426578234	/nfs/dbraw/zinc/57/82/34/426578234.db2.gz	RWKSLIWIWRXOPQ-DZGCQCFKSA-N	0	3	319.836	2.890	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1ccc(/C=N/OC)cc1	ZINC000265030005	426581127	/nfs/dbraw/zinc/58/11/27/426581127.db2.gz	XJSNHPHHDFZLAM-HDAKKWKLSA-N	0	3	317.433	2.661	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)NCCNC(=O)C2CC2)cc1	ZINC000178215226	426588800	/nfs/dbraw/zinc/58/88/00/426588800.db2.gz	FAGQVMROTQYZRY-CYBMUJFWSA-N	0	3	322.836	2.995	20	30		DFEDHN
C[C@@H](CN1CCOCC1)N(CCCC#N)Cc1ccccc1	ZINC000264465063	426557866	/nfs/dbraw/zinc/55/78/66/426557866.db2.gz	LOKIUQQTQZONSB-KRWDZBQOSA-N	0	3	301.434	2.513	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2OC)CC1	ZINC000264485654	426560950	/nfs/dbraw/zinc/56/09/50/426560950.db2.gz	MJZRBCMJZIQKHX-UHFFFAOYSA-N	0	3	316.445	2.739	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000264507717	426564910	/nfs/dbraw/zinc/56/49/10/426564910.db2.gz	SJWLCYVMPLYGFX-KRWDZBQOSA-N	0	3	312.417	2.845	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000280685536	426633473	/nfs/dbraw/zinc/63/34/73/426633473.db2.gz	ZYPCKNANABWRJT-UHFFFAOYSA-N	0	3	313.357	2.652	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000280728025	426644862	/nfs/dbraw/zinc/64/48/62/426644862.db2.gz	VOPPONURBGDDOG-MRXNPFEDSA-N	0	3	323.396	2.854	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](COC)C1	ZINC000265768820	426686617	/nfs/dbraw/zinc/68/66/17/426686617.db2.gz	IJAXBCAYVMIXTE-HUUCEWRRSA-N	0	3	322.474	2.620	20	30		DFEDHN
CC(C)[C@@](C)(CO)NCc1ccc(Br)cc1C#N	ZINC000352890709	269632499	/nfs/dbraw/zinc/63/24/99/269632499.db2.gz	FEBZXHLOYDXKEK-CQSZACIVSA-N	0	3	311.223	2.817	20	30		DFEDHN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CCOC1	ZINC000178764553	426689667	/nfs/dbraw/zinc/68/96/67/426689667.db2.gz	ABEBLQYLIRSTJU-RYUDHWBXSA-N	0	3	321.808	2.507	20	30		DFEDHN
C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)c(F)c1	ZINC000290167800	426709085	/nfs/dbraw/zinc/70/90/85/426709085.db2.gz	DPYFFFUBCOPILM-LIXBPZJASA-N	0	3	312.344	2.843	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000281311600	426709410	/nfs/dbraw/zinc/70/94/10/426709410.db2.gz	OIMZKZWDKPRXJD-CYBMUJFWSA-N	0	3	311.385	2.710	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1C#N	ZINC000281651924	426737896	/nfs/dbraw/zinc/73/78/96/426737896.db2.gz	JYDSLRATVRQRGX-KZULUSFZSA-N	0	3	314.360	2.918	20	30		DFEDHN
Cc1nn(C)cc1CNCCSCc1ccccc1C#N	ZINC000179057067	426742638	/nfs/dbraw/zinc/74/26/38/426742638.db2.gz	ARAPNKNTWHPPFP-UHFFFAOYSA-N	0	3	300.431	2.623	20	30		DFEDHN
N#Cc1ccc(CN(Cc2c[nH]c3nccnc23)C2CC2)cc1	ZINC000290359903	426750064	/nfs/dbraw/zinc/75/00/64/426750064.db2.gz	GNNNUVIZKCLIOQ-UHFFFAOYSA-N	0	3	303.369	2.994	20	30		DFEDHN
C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@@H](c2ccco2)C1	ZINC000245705980	426766182	/nfs/dbraw/zinc/76/61/82/426766182.db2.gz	OFRLVYPWBJCGMS-HUUCEWRRSA-N	0	3	303.406	2.815	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O	ZINC000281999182	426809316	/nfs/dbraw/zinc/80/93/16/426809316.db2.gz	NJGMRSHANZGYJQ-QGZVFWFLSA-N	0	3	324.428	2.529	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000246302481	426819602	/nfs/dbraw/zinc/81/96/02/426819602.db2.gz	BWPSINFBSGFVEH-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
C=C(C)[C@@H](N[C@H]1CCN(CCOC)C1)c1ccc(F)c(F)c1	ZINC000274731080	426826360	/nfs/dbraw/zinc/82/63/60/426826360.db2.gz	BYIIXIOSSDUTLV-WMLDXEAASA-N	0	3	310.388	2.892	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](c2ccc(OC)cc2)C(C)C)C1=O	ZINC000282101550	426829565	/nfs/dbraw/zinc/82/95/65/426829565.db2.gz	WCYLPSGDNYKHBU-DLBZAZTESA-N	0	3	302.418	2.769	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cncc(Cl)c2Cl)CC1	ZINC000180135469	426837267	/nfs/dbraw/zinc/83/72/67/426837267.db2.gz	HSHPNNPNWDBVOV-UHFFFAOYSA-N	0	3	312.200	2.672	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(c3nccs3)CC2)s1	ZINC000282182430	426845471	/nfs/dbraw/zinc/84/54/71/426845471.db2.gz	KECRIALSYOVQNT-UHFFFAOYSA-N	0	3	304.444	2.835	20	30		DFEDHN
CCOC(=O)N1CCC([C@@H](C)NCc2ccccc2C#N)CC1	ZINC000189370942	426847414	/nfs/dbraw/zinc/84/74/14/426847414.db2.gz	BKRUWJRMYIGBEN-CQSZACIVSA-N	0	3	315.417	2.905	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)s1	ZINC000267213068	426848173	/nfs/dbraw/zinc/84/81/73/426848173.db2.gz	REALOJQSYFMSQV-CYBMUJFWSA-N	0	3	304.390	2.700	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)OC[C@H]1C)C(C)C	ZINC000246024421	426791342	/nfs/dbraw/zinc/79/13/42/426791342.db2.gz	VJUOFVOEEZQKFZ-BRWVUGGUSA-N	0	3	323.481	2.504	20	30		DFEDHN
Cc1nc(N2CCN(CCc3ccccc3)CC2)ccc1C#N	ZINC000291587894	426922260	/nfs/dbraw/zinc/92/22/60/426922260.db2.gz	HCSDVDHCCMJLKT-UHFFFAOYSA-N	0	3	306.413	2.626	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)cc1	ZINC000290869305	426860320	/nfs/dbraw/zinc/86/03/20/426860320.db2.gz	ZNMXLDPOOXLFNN-WMZOPIPTSA-N	0	3	312.413	2.562	20	30		DFEDHN
CCOCCC[N@@H+]1CC[C@@H](/N=C/c2ccccc2[O-])[C@@H](C)C1	ZINC000246859182	426873089	/nfs/dbraw/zinc/87/30/89/426873089.db2.gz	RLDCTCNGDUAXFH-MMEUWEMUSA-N	0	3	304.434	2.948	20	30		DFEDHN
CCOCCC[N@H+]1CC[C@@H](/N=C/c2ccccc2[O-])[C@@H](C)C1	ZINC000246859182	426873093	/nfs/dbraw/zinc/87/30/93/426873093.db2.gz	RLDCTCNGDUAXFH-MMEUWEMUSA-N	0	3	304.434	2.948	20	30		DFEDHN
CC#CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282822538	426925086	/nfs/dbraw/zinc/92/50/86/426925086.db2.gz	RQGZAZVPDNRXJQ-KRWDZBQOSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CCOC1	ZINC000246894490	426877320	/nfs/dbraw/zinc/87/73/20/426877320.db2.gz	FJIISCQSUHYYLN-LSDHHAIUSA-N	0	3	322.474	2.620	20	30		DFEDHN
CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000291478361	426891496	/nfs/dbraw/zinc/89/14/96/426891496.db2.gz	LEYUUNMGIOTPQS-KRWDZBQOSA-N	0	3	303.381	2.734	20	30		DFEDHN
CCC(CC)(CCO)NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000282437666	426913004	/nfs/dbraw/zinc/91/30/04/426913004.db2.gz	KTPVKLLVNXRDGR-UHFFFAOYSA-N	0	3	323.462	2.706	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nnc(CC)c(CC)c2C#N)CC1	ZINC000268249093	426963315	/nfs/dbraw/zinc/96/33/15/426963315.db2.gz	ZAMIFYTUWGVLIH-UHFFFAOYSA-N	0	3	313.449	2.925	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C2(C#N)CCC2)C1	ZINC000323941577	426973932	/nfs/dbraw/zinc/97/39/32/426973932.db2.gz	UDLZODJCTQCJTI-MRXNPFEDSA-N	0	3	311.429	2.661	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000323958607	426974939	/nfs/dbraw/zinc/97/49/39/426974939.db2.gz	ZDYAHSIVRPWASS-QFBILLFUSA-N	0	3	313.445	2.907	20	30		DFEDHN
CCC[NH+]1CCC(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000328660536	426986341	/nfs/dbraw/zinc/98/63/41/426986341.db2.gz	VNKYMTMITNHUSD-UHFFFAOYSA-N	0	3	319.384	2.524	20	30		DFEDHN
CCC[NH+]1CCC(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000328660536	426986346	/nfs/dbraw/zinc/98/63/46/426986346.db2.gz	VNKYMTMITNHUSD-UHFFFAOYSA-N	0	3	319.384	2.524	20	30		DFEDHN
CCC[NH+]1CCC(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000328660536	426986353	/nfs/dbraw/zinc/98/63/53/426986353.db2.gz	VNKYMTMITNHUSD-UHFFFAOYSA-N	0	3	319.384	2.524	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CCCC23CCOCC3)C1	ZINC000328690300	426987965	/nfs/dbraw/zinc/98/79/65/426987965.db2.gz	DHLGSIQSXWJHPU-HZPDHXFCSA-N	0	3	323.481	2.571	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21	ZINC000337831570	426991323	/nfs/dbraw/zinc/99/13/23/426991323.db2.gz	WACXGZUOZMBFFW-QGZVFWFLSA-N	0	3	319.408	3.000	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21	ZINC000337831569	426991451	/nfs/dbraw/zinc/99/14/51/426991451.db2.gz	WACXGZUOZMBFFW-KRWDZBQOSA-N	0	3	319.408	3.000	20	30		DFEDHN
CNC(=O)c1cccc(CN[C@H]2CCC(=O)NC23CCC3)c1	ZINC000328704016	426991704	/nfs/dbraw/zinc/99/17/04/426991704.db2.gz	ONUOZLBPDJYKCD-AWEZNQCLSA-N	0	3	301.390	2.752	20	30		DFEDHN
COCC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C	ZINC000337837238	426992763	/nfs/dbraw/zinc/99/27/63/426992763.db2.gz	CTHPDTHYXZAZFE-BBRMVZONSA-N	0	3	317.433	2.926	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C2CC2)no1)C(C)C	ZINC000337838850	426993058	/nfs/dbraw/zinc/99/30/58/426993058.db2.gz	KTYPCIPPCGIWBC-MRXNPFEDSA-N	0	3	317.433	2.980	20	30		DFEDHN
CN1CC=C(CNC(=O)CCc2nc(C(C)(C)C)no2)CC1	ZINC000329174660	427059071	/nfs/dbraw/zinc/05/90/71/427059071.db2.gz	BCPXXUQWMLGEOE-UHFFFAOYSA-N	0	3	306.410	2.518	20	30		DFEDHN
CNC(=O)CC[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1	ZINC000329185955	427061627	/nfs/dbraw/zinc/06/16/27/427061627.db2.gz	GHIWGSNFTHAIGX-INIZCTEOSA-N	0	3	321.465	2.608	20	30		DFEDHN
CN1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H]1c1ccccc1	ZINC000328899792	427009268	/nfs/dbraw/zinc/00/92/68/427009268.db2.gz	ZEYJLAYZGWUORE-NJAFHUGGSA-N	0	3	324.428	2.847	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337873494	427013634	/nfs/dbraw/zinc/01/36/34/427013634.db2.gz	WXQOTSKVEFEPKC-MRXNPFEDSA-N	0	3	319.497	2.829	20	30		DFEDHN
CC(C)C[C@H](C(=O)NCC1=CCN(C)CC1)N1CCCCC1=O	ZINC000329216450	427066207	/nfs/dbraw/zinc/06/62/07/427066207.db2.gz	OMJXVLNQSRQRAJ-MRXNPFEDSA-N	0	3	321.465	2.632	20	30		DFEDHN
Cc1c(C(=O)NCC2=CCN(C)CC2)cnn1CCC(C)C	ZINC000329222498	427066956	/nfs/dbraw/zinc/06/69/56/427066956.db2.gz	WMHVZZVAYKDWRA-UHFFFAOYSA-N	0	3	304.438	2.804	20	30		DFEDHN
N#Cc1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1	ZINC000190298027	427067852	/nfs/dbraw/zinc/06/78/52/427067852.db2.gz	YCBXWMNDOGLVLP-WFASDCNBSA-N	0	3	304.440	2.889	20	30		DFEDHN
COc1cnc(NC(=O)N2CCCN(C3CCCC3)CC2)s1	ZINC000329235134	427069432	/nfs/dbraw/zinc/06/94/32/427069432.db2.gz	IIPPQUFKHOMNSC-UHFFFAOYSA-N	0	3	324.450	2.648	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000248972752	427069443	/nfs/dbraw/zinc/06/94/43/427069443.db2.gz	DLHHOLXXCBWBMZ-ZOBUZTSGSA-N	0	3	322.836	2.529	20	30		DFEDHN
CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1	ZINC000329230400	427070534	/nfs/dbraw/zinc/07/05/34/427070534.db2.gz	JZYXOLPOABTIKN-INIZCTEOSA-N	0	3	321.465	2.608	20	30		DFEDHN
Cc1nn(CC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)c1Cl	ZINC000329264575	427075479	/nfs/dbraw/zinc/07/54/79/427075479.db2.gz	BYBXSWBJTOQPFH-SNVBAGLBSA-N	0	3	310.829	2.760	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)C1	ZINC000329271939	427079048	/nfs/dbraw/zinc/07/90/48/427079048.db2.gz	HSMPSIHSTUMLLB-JKSUJKDBSA-N	0	3	321.465	2.608	20	30		DFEDHN
CC(C)COC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000268671998	427088767	/nfs/dbraw/zinc/08/87/67/427088767.db2.gz	KLXFFHSVTUYFQD-SFHVURJKSA-N	0	3	302.418	2.729	20	30		DFEDHN
CC(C)Oc1cccnc1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329319140	427091411	/nfs/dbraw/zinc/09/14/11/427091411.db2.gz	ILVWTFBFVHDTQY-CYBMUJFWSA-N	0	3	303.406	2.824	20	30		DFEDHN
C[C@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)N1[C@H](C)CC[C@@H]1C	ZINC000329334926	427092985	/nfs/dbraw/zinc/09/29/85/427092985.db2.gz	OHVDPWJMGYKAMR-CTASWTNQSA-N	0	3	315.417	2.620	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2ccnc(C#N)c2)CC1	ZINC000283880386	427093423	/nfs/dbraw/zinc/09/34/23/427093423.db2.gz	VEOSFUNUUCELEL-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
Cn1cc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1C#N	ZINC000296163711	427098908	/nfs/dbraw/zinc/09/89/08/427098908.db2.gz	YJLGVOCIYRKKEF-HNNXBMFYSA-N	0	3	303.431	2.808	20	30		DFEDHN
C[C@H](C(=O)NC1CCCCC1)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329384847	427103319	/nfs/dbraw/zinc/10/33/19/427103319.db2.gz	RTDMMYFZMICFPX-HUUCEWRRSA-N	0	3	321.465	2.608	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc3c2OCO3)CC1	ZINC000329472104	427121948	/nfs/dbraw/zinc/12/19/48/427121948.db2.gz	SDYJAUJTUKLWFH-UHFFFAOYSA-N	0	3	317.389	2.782	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cn(C(C)(C)C)nn1)C(C)C	ZINC000276996896	427130961	/nfs/dbraw/zinc/13/09/61/427130961.db2.gz	XUSGYIAVAPNJFK-KRWDZBQOSA-N	0	3	319.497	2.821	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000249593560	427131231	/nfs/dbraw/zinc/13/12/31/427131231.db2.gz	WCMOBOTZAPZMRQ-MCIONIFRSA-N	0	3	317.408	2.794	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2	ZINC000329541934	427137143	/nfs/dbraw/zinc/13/71/43/427137143.db2.gz	XMWJTLJZRVQXGB-PNBKFKSVSA-N	0	3	310.438	2.544	20	30		DFEDHN
Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@@H](C2CC2)C1	ZINC000329542704	427138094	/nfs/dbraw/zinc/13/80/94/427138094.db2.gz	DXYLEFSCJPQJTG-CZUORRHYSA-N	0	3	304.438	2.864	20	30		DFEDHN
N#Cc1cccc(OC2CCN(CCCn3ccnc3)CC2)c1	ZINC000182752243	427138394	/nfs/dbraw/zinc/13/83/94/427138394.db2.gz	NLXUENLBWKQQEZ-UHFFFAOYSA-N	0	3	310.401	2.688	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1Cc1ccccc1	ZINC000249736445	427141156	/nfs/dbraw/zinc/14/11/56/427141156.db2.gz	WCWQKJITVYPLSK-AEFFLSMTSA-N	0	3	313.445	2.702	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000338142828	427156503	/nfs/dbraw/zinc/15/65/03/427156503.db2.gz	KKNTWCDVIOFZHG-SFHVURJKSA-N	0	3	321.424	2.769	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000162332773	271082430	/nfs/dbraw/zinc/08/24/30/271082430.db2.gz	WTGVWGGEUDCEDJ-SFHVURJKSA-N	0	3	321.424	2.769	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(CNCc2cc(C#N)n(C)c2)cc1	ZINC000190715567	427167541	/nfs/dbraw/zinc/16/75/41/427167541.db2.gz	IHNWKUZGDZOMAH-UHFFFAOYSA-N	0	3	310.401	2.781	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H](C)[C@@H](C)C(=O)OCC)cc1	ZINC000190958489	427216274	/nfs/dbraw/zinc/21/62/74/427216274.db2.gz	RKBICOVHDGSZBN-CABCVRRESA-N	0	3	303.402	2.766	20	30		DFEDHN
C#C[C@@H](C)NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000253185029	427195871	/nfs/dbraw/zinc/19/58/71/427195871.db2.gz	IBMMRLVYUCORJT-SJLPKXTDSA-N	0	3	313.445	2.562	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(CCOC)CC1)C(C)C	ZINC000269444365	427198405	/nfs/dbraw/zinc/19/84/05/427198405.db2.gz	NOQNQSXCKJWBBX-MRXNPFEDSA-N	0	3	308.466	2.618	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000253385984	427201602	/nfs/dbraw/zinc/20/16/02/427201602.db2.gz	VDJYWDFMMNYOJR-RDJZCZTQSA-N	0	3	314.429	2.979	20	30		DFEDHN
C[C@H](Cn1cccn1)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000269464712	427202299	/nfs/dbraw/zinc/20/22/99/427202299.db2.gz	ISIOTFYGHXJBPY-CYBMUJFWSA-N	0	3	323.318	2.812	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c(F)c1	ZINC000269461924	427202507	/nfs/dbraw/zinc/20/25/07/427202507.db2.gz	YGKBMHVIOBBWHV-HOCLYGCPSA-N	0	3	306.406	2.842	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC3(CCOCC3)CC2)c1	ZINC000284963641	427203008	/nfs/dbraw/zinc/20/30/08/427203008.db2.gz	ZZAVHVHIXZPIHQ-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
C[C@@H](C(=O)NCC#Cc1cccc(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000338239303	427206793	/nfs/dbraw/zinc/20/67/93/427206793.db2.gz	FGGXHTKYXGFNHF-ZNMIVQPWSA-N	0	3	302.393	2.555	20	30		DFEDHN
N#CCCCCN1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000330437282	427238777	/nfs/dbraw/zinc/23/87/77/427238777.db2.gz	MZZDTRDTEZVQTH-UHFFFAOYSA-N	0	3	306.454	2.981	20	30		DFEDHN
C[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1	ZINC000338288936	427239412	/nfs/dbraw/zinc/23/94/12/427239412.db2.gz	SAJIAQBWLZBHKP-CYBMUJFWSA-N	0	3	319.364	2.505	20	30		DFEDHN
CCOC1CC2(C1)CCN(CCOc1ccccc1C#N)C2	ZINC000285504959	427252866	/nfs/dbraw/zinc/25/28/66/427252866.db2.gz	NOCVWSXRELXTPG-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000277599720	427255407	/nfs/dbraw/zinc/25/54/07/427255407.db2.gz	GUZBEFBNDXBVKC-GOSISDBHSA-N	0	3	322.452	2.772	20	30		DFEDHN
CC(C)(C#N)CCN1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000338348832	427268664	/nfs/dbraw/zinc/26/86/64/427268664.db2.gz	KUVCYQOFERNOES-AWEZNQCLSA-N	0	3	303.406	2.661	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000285564627	427272680	/nfs/dbraw/zinc/27/26/80/427272680.db2.gz	RXEVBZOXNOMWEJ-DGCLKSJQSA-N	0	3	303.793	2.520	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccnc(Cl)c2)CC1	ZINC000255644105	427287523	/nfs/dbraw/zinc/28/75/23/427287523.db2.gz	MSOGCBDDDLWGQQ-ARJAWSKDSA-N	0	3	305.809	2.515	20	30		DFEDHN
C#CCC(CC#C)C(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000277766830	427310036	/nfs/dbraw/zinc/31/00/36/427310036.db2.gz	SOKHBOFKTRLQOU-UHFFFAOYSA-N	0	3	322.452	2.602	20	30		DFEDHN
Cn1cc(CN(CCCO)[C@H]2CCc3ccccc32)cc1C#N	ZINC000191360607	427327047	/nfs/dbraw/zinc/32/70/47/427327047.db2.gz	JNUPXZNHNUJCAG-IBGZPJMESA-N	0	3	309.413	2.769	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)NC2(C#N)CCCCC2)C[C@H]1OC	ZINC000191364751	427330200	/nfs/dbraw/zinc/33/02/00/427330200.db2.gz	WTFFMYOCXAYXBF-HUUCEWRRSA-N	0	3	321.465	2.512	20	30		DFEDHN
Cn1cc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cc1C#N	ZINC000191433454	427348030	/nfs/dbraw/zinc/34/80/30/427348030.db2.gz	OARDILOMYLKKHO-HKUYNNGSSA-N	0	3	309.413	2.985	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)/C=C\c1cccc(C#N)c1	ZINC000255718918	427290200	/nfs/dbraw/zinc/29/02/00/427290200.db2.gz	HHXNDMPXELOKKA-KHPPLWFESA-N	0	3	319.408	2.949	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)c2nc(C)cs2)CC1	ZINC000183545437	427290705	/nfs/dbraw/zinc/29/07/05/427290705.db2.gz	URIWUNUMEFPTNR-GFCCVEGCSA-N	0	3	322.478	2.505	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)NCc2cccnc2)CCCC1(C)C	ZINC000277721223	427297074	/nfs/dbraw/zinc/29/70/74/427297074.db2.gz	JCSCRHPBTFSWSM-MRXNPFEDSA-N	0	3	301.434	2.765	20	30		DFEDHN
C[C@@H]1CN(CCCNc2ncc(C#N)cc2Cl)CCCO1	ZINC000277962701	427371988	/nfs/dbraw/zinc/37/19/88/427371988.db2.gz	JENGMELJNOCDMH-GFCCVEGCSA-N	0	3	308.813	2.519	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1	ZINC000184005351	427373878	/nfs/dbraw/zinc/37/38/78/427373878.db2.gz	YHMLFFNDUHADOR-DLBZAZTESA-N	0	3	320.436	2.935	20	30		DFEDHN
C[C@@H](CN(C)C[C@H](O)c1ccc(C#N)cc1)c1nccs1	ZINC000183997142	427374272	/nfs/dbraw/zinc/37/42/72/427374272.db2.gz	FMIMQVXDVYOPBV-WFASDCNBSA-N	0	3	301.415	2.784	20	30		DFEDHN
C[C@H](CN(C)C[C@H](O)c1ccc(C#N)cc1)c1nccs1	ZINC000183997159	427374688	/nfs/dbraw/zinc/37/46/88/427374688.db2.gz	FMIMQVXDVYOPBV-DOMZBBRYSA-N	0	3	301.415	2.784	20	30		DFEDHN
CC[C@@H]1CCc2nc(NC(=O)NC[C@H](C)N(C)C)sc2C1	ZINC000331280013	427388703	/nfs/dbraw/zinc/38/87/03/427388703.db2.gz	TYQFLIWQGRYJSZ-WDEREUQCSA-N	0	3	310.467	2.934	20	30		DFEDHN
C=CCN1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1	ZINC000271076436	427398681	/nfs/dbraw/zinc/39/86/81/427398681.db2.gz	HENSMYDUVIKFBZ-UHFFFAOYSA-N	0	3	309.341	2.805	20	30		DFEDHN
COC[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccco1	ZINC000331340754	427398970	/nfs/dbraw/zinc/39/89/70/427398970.db2.gz	XIJHBBBIEDKLGH-DZGCQCFKSA-N	0	3	323.437	2.591	20	30		DFEDHN
Cc1ncsc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000331335418	427399384	/nfs/dbraw/zinc/39/93/84/427399384.db2.gz	UORCEGDUGOEOCO-ZDUSSCGKSA-N	0	3	310.467	2.576	20	30		DFEDHN
CCN1CCN(c2cccc(NCc3cc(C#N)n(C)c3)c2)CC1	ZINC000191504266	427363919	/nfs/dbraw/zinc/36/39/19/427363919.db2.gz	IGZALNULOZBQNW-UHFFFAOYSA-N	0	3	323.444	2.651	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2cnccc2C#N)cc1	ZINC000271242815	427464689	/nfs/dbraw/zinc/46/46/89/427464689.db2.gz	HVEOKCMBHXFCJB-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000278840147	427473148	/nfs/dbraw/zinc/47/31/48/427473148.db2.gz	WALYBHSGGSISEL-CGTJXYLNSA-N	0	3	316.445	2.604	20	30		DFEDHN
CC#CCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000338659358	427426223	/nfs/dbraw/zinc/42/62/23/427426223.db2.gz	NLMMNOJTWCWNHG-OAHLLOKOSA-N	0	3	307.825	2.655	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000286158943	427441473	/nfs/dbraw/zinc/44/14/73/427441473.db2.gz	PGKICEQCLGAUAA-ZDUSSCGKSA-N	0	3	305.809	2.768	20	30		DFEDHN
CN(CCCN(C)c1nc2ccccn2c1C#N)Cc1ccco1	ZINC000286369583	427508260	/nfs/dbraw/zinc/50/82/60/427508260.db2.gz	LJRULJAHCXXYPN-UHFFFAOYSA-N	0	3	323.400	2.757	20	30		DFEDHN
CCc1nnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c(C#N)c1CC	ZINC000286427836	427526142	/nfs/dbraw/zinc/52/61/42/427526142.db2.gz	RPSCCLPTKMKWNC-KGLIPLIRSA-N	0	3	313.449	2.536	20	30		DFEDHN
CN1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000272041587	427612142	/nfs/dbraw/zinc/61/21/42/427612142.db2.gz	OVECTJZMLKSWHT-UXHICEINSA-N	0	3	321.424	2.580	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(F)c(C#N)c1	ZINC000272050761	427614790	/nfs/dbraw/zinc/61/47/90/427614790.db2.gz	QJRIUFCEYUQAHJ-YOEHRIQHSA-N	0	3	304.365	2.909	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ccn1	ZINC000192546927	427561608	/nfs/dbraw/zinc/56/16/08/427561608.db2.gz	BOPIHCJZVOXYGY-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2nc(C(C)C)c(C)s2)CC1	ZINC000279212304	427597257	/nfs/dbraw/zinc/59/72/57/427597257.db2.gz	LBYXYDSLKFKOKB-UHFFFAOYSA-N	0	3	321.490	2.884	20	30		DFEDHN
C[C@@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)c(F)c1	ZINC000271942604	427597716	/nfs/dbraw/zinc/59/77/16/427597716.db2.gz	MJWYAOCYUNXSQQ-SNVBAGLBSA-N	0	3	303.303	2.842	20	30		DFEDHN
CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1cccs1	ZINC000263986895	427626572	/nfs/dbraw/zinc/62/65/72/427626572.db2.gz	SUIFNRBPOIBANI-ZDUSSCGKSA-N	0	3	311.414	2.982	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000339027168	427634828	/nfs/dbraw/zinc/63/48/28/427634828.db2.gz	UGFWVNRGYKLKPG-UHFFFAOYSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NCc3cccs3)C2=O)cc1	ZINC000272187079	427665661	/nfs/dbraw/zinc/66/56/61/427665661.db2.gz	JLSYMTWWUXBVCG-MRXNPFEDSA-N	0	3	311.410	2.905	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2ncccc2C#N)cc1	ZINC000264059568	427647083	/nfs/dbraw/zinc/64/70/83/427647083.db2.gz	DGOMKVRHVVZZMS-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)Cc1ccc2c(c1)OCO2	ZINC000264073618	427649995	/nfs/dbraw/zinc/64/99/95/427649995.db2.gz	CCXGCERAPQBHIQ-UHFFFAOYSA-N	0	3	310.353	2.950	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000279435317	427671925	/nfs/dbraw/zinc/67/19/25/427671925.db2.gz	MTYOQJKHXCKJDI-KDOFPFPSSA-N	0	3	304.434	2.559	20	30		DFEDHN
CC(C)[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000343228281	272100220	/nfs/dbraw/zinc/10/02/20/272100220.db2.gz	PHXDAIOSQUEIEQ-AWEZNQCLSA-N	0	3	317.824	2.636	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000343649542	272193833	/nfs/dbraw/zinc/19/38/33/272193833.db2.gz	YWMLXNOGZONTIG-QGZVFWFLSA-N	0	3	311.429	2.580	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCCc1cccc(C#N)c1)N1CCCCC1	ZINC000343855324	272230671	/nfs/dbraw/zinc/23/06/71/272230671.db2.gz	QVYOBDZTCYLONK-SFHVURJKSA-N	0	3	313.445	2.727	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2cc(C#N)cs2)C12CCOCC2	ZINC000185660161	427686801	/nfs/dbraw/zinc/68/68/01/427686801.db2.gz	FFHGQNLPGWPEKR-GJZGRUSLSA-N	0	3	306.431	2.684	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(CCOC)cc1	ZINC000339132312	427692126	/nfs/dbraw/zinc/69/21/26/427692126.db2.gz	HROXUPPJVHXZOG-ROUUACIJSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=CCOCCN1CCN(c2cccc3cnccc32)C[C@H]1C	ZINC000339132154	427694186	/nfs/dbraw/zinc/69/41/86/427694186.db2.gz	ZJGRLDSYCUNDQD-MRXNPFEDSA-N	0	3	311.429	2.948	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCCC[C@H]1C)c1ccc(C#N)cc1	ZINC000298745527	427694835	/nfs/dbraw/zinc/69/48/35/427694835.db2.gz	WEZGUTCXCNFBOE-HUUCEWRRSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)NCCN(C)C1CC1	ZINC000279557709	427701895	/nfs/dbraw/zinc/70/18/95/427701895.db2.gz	OMWKUMBHFQMYBD-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000339189549	427723878	/nfs/dbraw/zinc/72/38/78/427723878.db2.gz	KIOVFPWDWGETBO-FZQKWOKYSA-N	0	3	309.772	2.500	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NCCN(CC)C1CC1	ZINC000272340009	427714735	/nfs/dbraw/zinc/71/47/35/427714735.db2.gz	MNEBYLAUSXGPQD-UHFFFAOYSA-N	0	3	305.422	2.504	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1	ZINC000193819190	427716191	/nfs/dbraw/zinc/71/61/91/427716191.db2.gz	COGVJVYLLGGWOK-SFHVURJKSA-N	0	3	319.408	2.810	20	30		DFEDHN
CCN1CC[C@H]2OCCN(Cc3ccc(C#N)cc3Cl)[C@@H]2C1	ZINC000339389334	427765703	/nfs/dbraw/zinc/76/57/03/427765703.db2.gz	GAMGSQVXXKGMMI-IAGOWNOFSA-N	0	3	319.836	2.507	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CC[C@H]2c2ccccc2)cc1	ZINC000336878100	427770547	/nfs/dbraw/zinc/77/05/47/427770547.db2.gz	BHGNCJPAMAXYEW-ICSRJNTNSA-N	0	3	322.408	2.939	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194425135	427742410	/nfs/dbraw/zinc/74/24/10/427742410.db2.gz	FOBHCYOFEMRALX-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)nc1	ZINC000301543911	427804814	/nfs/dbraw/zinc/80/48/14/427804814.db2.gz	WEOKQCRUCBNSKJ-KDOFPFPSSA-N	0	3	307.401	2.671	20	30		DFEDHN
N#Cc1cc(F)ccc1N1CC[C@H](OCCN2CCCCC2)C1	ZINC000301844341	427828970	/nfs/dbraw/zinc/82/89/70/427828970.db2.gz	LLHWCGHTXFKIQS-KRWDZBQOSA-N	0	3	317.408	2.779	20	30		DFEDHN
CN1CCC[C@H](CNc2ccc(C#N)nn2)[C@H]1c1cccs1	ZINC000301892593	427834999	/nfs/dbraw/zinc/83/49/99/427834999.db2.gz	AFINNZLNSIRRHZ-WBMJQRKESA-N	0	3	313.430	2.905	20	30		DFEDHN
CCC[C@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1CCOC	ZINC000301916435	427839248	/nfs/dbraw/zinc/83/92/48/427839248.db2.gz	JDBSEBPJSQSXDX-ZDUSSCGKSA-N	0	3	322.840	2.544	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nn1	ZINC000302214160	427852391	/nfs/dbraw/zinc/85/23/91/427852391.db2.gz	GGPJFKFBXJIYSA-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCc1ccc(C#N)s1	ZINC000349749908	427856731	/nfs/dbraw/zinc/85/67/31/427856731.db2.gz	WNZKOPFDEAOEGA-GDBMZVCRSA-N	0	3	316.430	2.590	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@]2(CCCOC2)C1	ZINC000355734475	427865300	/nfs/dbraw/zinc/86/53/00/427865300.db2.gz	BPJXPGUCLLJXKN-SFHVURJKSA-N	0	3	300.402	2.830	20	30		DFEDHN
CC(C)(C)N1C[C@@H](C(=O)NCCCCC#N)[C@H](C(F)(F)F)C1	ZINC000339937011	427879270	/nfs/dbraw/zinc/87/92/70/427879270.db2.gz	AEGOLYDUZRVXHW-VXGBXAGGSA-N	0	3	319.371	2.705	20	30		DFEDHN
N#Cc1cccc(NC(=O)CN[C@H]2CCCC[C@H]2OC(F)F)c1	ZINC000337386389	427880546	/nfs/dbraw/zinc/88/05/46/427880546.db2.gz	FUHPLOTVOLTRSC-UONOGXRCSA-N	0	3	323.343	2.637	20	30		DFEDHN
N#Cc1cscc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000340586348	427887835	/nfs/dbraw/zinc/88/78/35/427887835.db2.gz	SEYKRWJHRNMANH-UHFFFAOYSA-N	0	3	303.431	2.710	20	30		DFEDHN
CN(C)CCN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1	ZINC000339968800	427889989	/nfs/dbraw/zinc/88/99/89/427889989.db2.gz	HLNRGTWACVYUDR-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCCC[C@H]1C	ZINC000355794959	427897192	/nfs/dbraw/zinc/89/71/92/427897192.db2.gz	ZUBGAYMSMIWMQR-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCCC[C@@H]1C	ZINC000355794957	427897875	/nfs/dbraw/zinc/89/78/75/427897875.db2.gz	ZUBGAYMSMIWMQR-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#Cc1cccc(OCCN[C@H](CO)c2ccc(Cl)cc2)c1	ZINC000359539756	427899197	/nfs/dbraw/zinc/89/91/97/427899197.db2.gz	BWSIYRFSBLSLEG-QGZVFWFLSA-N	0	3	316.788	2.914	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1OC(F)F	ZINC000337430508	427902387	/nfs/dbraw/zinc/90/23/87/427902387.db2.gz	UVWGVWSIOZJTIK-MJBXVCDLSA-N	0	3	318.408	2.940	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)o1	ZINC000355811677	427905359	/nfs/dbraw/zinc/90/53/59/427905359.db2.gz	MMDBRZXYMHRTQC-UHFFFAOYSA-N	0	3	303.406	2.879	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000350711737	427967092	/nfs/dbraw/zinc/96/70/92/427967092.db2.gz	NQVZNQPNTLKECF-HOTGVXAUSA-N	0	3	319.497	2.972	20	30		DFEDHN
CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCN(C2CC2)C1	ZINC000356005133	427978063	/nfs/dbraw/zinc/97/80/63/427978063.db2.gz	SDFAFKKXHVRDHK-SJLPKXTDSA-N	0	3	311.429	2.769	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413182852	427983250	/nfs/dbraw/zinc/98/32/50/427983250.db2.gz	HMWXHOAFHGEINZ-AAEUAGOBSA-N	0	3	300.362	2.812	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000369517327	427984701	/nfs/dbraw/zinc/98/47/01/427984701.db2.gz	NCJLCTJNJPINAN-VNHYZAJKSA-N	0	3	320.462	2.542	20	30		DFEDHN
C[C@H](NC(=O)NCC1(CC#N)CC1)[C@H](c1ccccc1)N(C)C	ZINC000355873194	427930840	/nfs/dbraw/zinc/93/08/40/427930840.db2.gz	LMZAQGVFPBPPJI-GOEBONIOSA-N	0	3	314.433	2.671	20	30		DFEDHN
CN(Cc1ccc(O)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000350153669	427935490	/nfs/dbraw/zinc/93/54/90/427935490.db2.gz	DVKHAINHCUJKIH-KRWDZBQOSA-N	0	3	319.364	2.605	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1	ZINC000350216014	427937638	/nfs/dbraw/zinc/93/76/38/427937638.db2.gz	FSYYOMBBKOYCML-WDEREUQCSA-N	0	3	315.822	2.507	20	30		DFEDHN
C[C@@H](CNC(=O)c1cscc1C#N)N(C)Cc1ccccc1	ZINC000340160469	427940532	/nfs/dbraw/zinc/94/05/32/427940532.db2.gz	DRFCHLPSNBYSTL-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
C=C(CNC(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1	ZINC000350490225	427941406	/nfs/dbraw/zinc/94/14/06/427941406.db2.gz	ZGYHGGIBCRUXBV-INIZCTEOSA-N	0	3	301.434	2.873	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@@H]2NCc2cc(C#N)cs2)cn1	ZINC000340176168	427946174	/nfs/dbraw/zinc/94/61/74/427946174.db2.gz	BBXXLNVCKAYWBQ-HOTGVXAUSA-N	0	3	316.430	2.846	20	30		DFEDHN
N#Cc1ccncc1C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000340904625	427946441	/nfs/dbraw/zinc/94/64/41/427946441.db2.gz	UPLATAJCWJNAAI-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H]3OCC[C@H]3C2)cc(OC)c1O	ZINC000369675193	428033191	/nfs/dbraw/zinc/03/31/91/428033191.db2.gz	DRPABCOYQNJCHK-JKSUJKDBSA-N	0	3	303.402	2.740	20	30		DFEDHN
C=CCOc1cccnc1C(=O)Nc1cccc(CN(C)C)c1	ZINC000341349074	428042044	/nfs/dbraw/zinc/04/20/44/428042044.db2.gz	CGERJLMEYAPMES-UHFFFAOYSA-N	0	3	311.385	2.960	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000369571123	428002914	/nfs/dbraw/zinc/00/29/14/428002914.db2.gz	VHVZEUWTEINIIX-IJEWVQPXSA-N	0	3	322.474	2.838	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1	ZINC000341189553	428007367	/nfs/dbraw/zinc/00/73/67/428007367.db2.gz	DIDCRQUVNNUIOF-HIFRSBDPSA-N	0	3	303.406	2.856	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000413308131	428016404	/nfs/dbraw/zinc/01/64/04/428016404.db2.gz	CBPBWVDJFKCKFV-KBAYOESNSA-N	0	3	315.461	2.956	20	30		DFEDHN
C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)cc1Cl	ZINC000369614674	428016513	/nfs/dbraw/zinc/01/65/13/428016513.db2.gz	GXJSWSKXZJXVAZ-QEJZJMRPSA-N	0	3	319.836	2.725	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)CC1	ZINC000341443916	428068594	/nfs/dbraw/zinc/06/85/94/428068594.db2.gz	ZCCSHRLWQGLSLB-KGLIPLIRSA-N	0	3	309.454	2.535	20	30		DFEDHN
C[C@@H](NC[C@H]1CCCN1c1cccnn1)c1ccc(C#N)s1	ZINC000369840232	428074020	/nfs/dbraw/zinc/07/40/20/428074020.db2.gz	KJZVUQPWLAASGN-CHWSQXEVSA-N	0	3	313.430	2.729	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000369947148	428094581	/nfs/dbraw/zinc/09/45/81/428094581.db2.gz	VSQBEMMXAUEFMI-RDJZCZTQSA-N	0	3	301.434	2.724	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000377260418	428094467	/nfs/dbraw/zinc/09/44/67/428094467.db2.gz	DRCNBPWNLAEDTF-QGZVFWFLSA-N	0	3	324.428	2.940	20	30		DFEDHN
Cn1ccnc1[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000377260414	428096048	/nfs/dbraw/zinc/09/60/48/428096048.db2.gz	DRCNBPWNLAEDTF-KRWDZBQOSA-N	0	3	324.428	2.940	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1	ZINC000377306287	428101634	/nfs/dbraw/zinc/10/16/34/428101634.db2.gz	GITRPKVSRLNQBX-MOPGFXCFSA-N	0	3	308.429	2.604	20	30		DFEDHN
Cc1[nH]cnc1CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000346338802	428131954	/nfs/dbraw/zinc/13/19/54/428131954.db2.gz	OREFGUHZRCRJAG-GFCCVEGCSA-N	0	3	323.183	2.949	20	30		DFEDHN
C=CCN[C@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000341654706	428143598	/nfs/dbraw/zinc/14/35/98/428143598.db2.gz	GCGNNOGRKBHGMK-MRXNPFEDSA-N	0	3	302.418	2.915	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN2CCC[C@@H]2C1	ZINC000413828388	428143974	/nfs/dbraw/zinc/14/39/74/428143974.db2.gz	UTNLVOYHDXELGT-ZWKOTPCHSA-N	0	3	313.445	2.663	20	30		DFEDHN
Cn1ccnc1[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000341709999	428163934	/nfs/dbraw/zinc/16/39/34/428163934.db2.gz	VPCHQAFPQSZMEP-DLBZAZTESA-N	0	3	322.412	2.760	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H](C)N2CCc3ccccc3C2)n1	ZINC000341743225	428176666	/nfs/dbraw/zinc/17/66/66/428176666.db2.gz	OPEKSJQLNQEWRE-HNNXBMFYSA-N	0	3	306.413	3.120	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1)C(C)C	ZINC000370296635	428178902	/nfs/dbraw/zinc/17/89/02/428178902.db2.gz	IAYQCYWMLUIEQP-DZKIICNBSA-N	0	3	319.474	2.698	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000370459444	428215471	/nfs/dbraw/zinc/21/54/71/428215471.db2.gz	FLFACFVXGRDKOE-INIZCTEOSA-N	0	3	323.396	2.806	20	30		DFEDHN
COc1cc([C@H](C)NCC(C)(C)CC#N)ccc1S(C)(=O)=O	ZINC000414171358	428225285	/nfs/dbraw/zinc/22/52/85/428225285.db2.gz	USGJUSPGLRPITJ-LBPRGKRZSA-N	0	3	324.446	2.689	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@@]3(CC=CCC3)C2)cc1	ZINC000377664580	428186724	/nfs/dbraw/zinc/18/67/24/428186724.db2.gz	CVZNHLPBPNIKIG-FQEVSTJZSA-N	0	3	323.440	2.997	20	30		DFEDHN
COCC1(C#N)CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000341986677	428269450	/nfs/dbraw/zinc/26/94/50/428269450.db2.gz	ZZBIXXDIYMLZMZ-UHFFFAOYSA-N	0	3	313.401	2.579	20	30		DFEDHN
C[C@@H](CC[S@](C)=O)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352844338	428277081	/nfs/dbraw/zinc/27/70/81/428277081.db2.gz	XLPDALZZEFHDJK-CWKPULSASA-N	0	3	318.364	2.824	20	30		DFEDHN
C=CC[C@H](C(=O)N(C)C[C@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000346697705	428278791	/nfs/dbraw/zinc/27/87/91/428278791.db2.gz	GDZWBWRPBYTTHX-SQNIBIBYSA-N	0	3	316.445	2.524	20	30		DFEDHN
C=CCCCCCN[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000346701065	428282697	/nfs/dbraw/zinc/28/26/97/428282697.db2.gz	ANDIZIIEMZAHMX-MAUKXSAKSA-N	0	3	316.449	2.561	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1CCN(C)C	ZINC000346629201	428245874	/nfs/dbraw/zinc/24/58/74/428245874.db2.gz	MHSNQXMMEWEVKC-RDJZCZTQSA-N	0	3	302.418	2.710	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CCC1	ZINC000370636787	428259615	/nfs/dbraw/zinc/25/96/15/428259615.db2.gz	USOKONBRCCXXEO-IXDOHACOSA-N	0	3	320.477	2.738	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cc(C#N)ccc3F)C[C@@H]1CCCC2	ZINC000342157705	428327171	/nfs/dbraw/zinc/32/71/71/428327171.db2.gz	QSHSPDFCUJDROU-YJBOKZPZSA-N	0	3	316.376	2.863	20	30		DFEDHN
CC[C@@](CNCc1ccc(C#N)o1)(C(=O)OC)c1ccccc1	ZINC000414582627	428351158	/nfs/dbraw/zinc/35/11/58/428351158.db2.gz	HBGVUTVVBLAGBS-SFHVURJKSA-N	0	3	312.369	2.762	20	30		DFEDHN
CCCCCC(=O)NC1CCN(CCCSCC#N)CC1	ZINC000342099681	428299990	/nfs/dbraw/zinc/29/99/90/428299990.db2.gz	OCUVBEPTTILGOD-UHFFFAOYSA-N	0	3	311.495	2.794	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cc1	ZINC000371408476	428388616	/nfs/dbraw/zinc/38/86/16/428388616.db2.gz	HMBOMZAQILLBNL-GOSISDBHSA-N	0	3	324.428	2.572	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000371496148	428393247	/nfs/dbraw/zinc/39/32/47/428393247.db2.gz	HOWQBIAEXPCDNT-ZFWWWQNUSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371590427	428399096	/nfs/dbraw/zinc/39/90/96/428399096.db2.gz	NHTRGTBCGGKROV-SJLPKXTDSA-N	0	3	316.445	2.558	20	30		DFEDHN
C[C@H]1CCC[C@@H](CO)N1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000371707768	428401397	/nfs/dbraw/zinc/40/13/97/428401397.db2.gz	PUTOVDFMPIUSAF-KSSFIOAISA-N	0	3	324.428	2.694	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccccc4)C3)n2c1	ZINC000378462378	428403138	/nfs/dbraw/zinc/40/31/38/428403138.db2.gz	YIZJOJRWGHCRHC-INIZCTEOSA-N	0	3	317.396	2.574	20	30		DFEDHN
CN(C(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2)C1CC1	ZINC000378467362	428403967	/nfs/dbraw/zinc/40/39/67/428403967.db2.gz	RQXFQWHFGDJCFV-SFHVURJKSA-N	0	3	323.440	2.781	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@H](O)c3ccccc3C2)cc1	ZINC000371829140	428406197	/nfs/dbraw/zinc/40/61/97/428406197.db2.gz	QPNQKEFHHZWZBT-OALUTQOASA-N	0	3	308.381	2.531	20	30		DFEDHN
C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCC(=O)N(C)CCC#N	ZINC000357005807	428367993	/nfs/dbraw/zinc/36/79/93/428367993.db2.gz	CGKFSJIZAHAZOA-UONOGXRCSA-N	0	3	317.408	2.895	20	30		DFEDHN
C=CCOCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1	ZINC000356991481	428368479	/nfs/dbraw/zinc/36/84/79/428368479.db2.gz	WRWSKBIWDCTQDT-UHFFFAOYSA-N	0	3	308.466	2.764	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360612931	428368632	/nfs/dbraw/zinc/36/86/32/428368632.db2.gz	RIJGINAEWVXYQS-MRXNPFEDSA-N	0	3	313.445	2.996	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C)C2(CCCCC2)C1	ZINC000360626106	428375025	/nfs/dbraw/zinc/37/50/25/428375025.db2.gz	DFAJDINDWVYIBC-CABCVRRESA-N	0	3	321.465	2.679	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000378364827	428377867	/nfs/dbraw/zinc/37/78/67/428377867.db2.gz	SCPQMLBUBVUIOY-NIKGAXFTSA-N	0	3	324.428	2.941	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1	ZINC000347074560	428434951	/nfs/dbraw/zinc/43/49/51/428434951.db2.gz	ROZYLQGSRXNCFG-ZDUSSCGKSA-N	0	3	314.385	2.893	20	30		DFEDHN
COc1ccc([C@H](C)NC(=O)C(C)C#N)cc1Br	ZINC000347082901	428437855	/nfs/dbraw/zinc/43/78/55/428437855.db2.gz	YMZSQYNGQZZMKE-BDAKNGLRSA-N	0	3	311.179	2.795	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000342746250	428444034	/nfs/dbraw/zinc/44/40/34/428444034.db2.gz	FUQZDFQTJYAALA-IEBWSBKVSA-N	0	3	323.440	2.728	20	30		DFEDHN
C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000372438378	428445639	/nfs/dbraw/zinc/44/56/39/428445639.db2.gz	GSAACSJBFFCUHD-ROUUACIJSA-N	0	3	313.445	2.959	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1cccc(-n3cncn3)c1)CC2	ZINC000353249486	428450540	/nfs/dbraw/zinc/45/05/40/428450540.db2.gz	DKBUIRVUKTWHCS-IBGZPJMESA-N	0	3	315.380	2.916	20	30		DFEDHN
C[C@H]1OCC[C@@]1(O)CN(CCC(C)(C)C#N)Cc1ccccc1	ZINC000347111455	428451516	/nfs/dbraw/zinc/45/15/16/428451516.db2.gz	YDXMGSZNCYLOCY-VQIMIIECSA-N	0	3	316.445	2.968	20	30		DFEDHN
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(C)C#N)C1	ZINC000347136004	428463593	/nfs/dbraw/zinc/46/35/93/428463593.db2.gz	NMGGULMVPXYEPU-OLZOCXBDSA-N	0	3	305.809	2.751	20	30		DFEDHN
CC[C@H](Cn1cncn1)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000353279471	428465633	/nfs/dbraw/zinc/46/56/33/428465633.db2.gz	ZONLCZHBKZEKFL-OAHLLOKOSA-N	0	3	322.334	2.717	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2nccs2)CC1	ZINC000372206099	428422057	/nfs/dbraw/zinc/42/20/57/428422057.db2.gz	PSXHDTWJAJOOSA-CQSZACIVSA-N	0	3	320.462	2.640	20	30		DFEDHN
COC(=O)CC1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000357196150	428428159	/nfs/dbraw/zinc/42/81/59/428428159.db2.gz	GCUBRZUVDBIJBB-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
COc1ncc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1Cl	ZINC000342462305	428428560	/nfs/dbraw/zinc/42/85/60/428428560.db2.gz	NNTIIALLIUHXCC-NSHDSACASA-N	0	3	316.748	2.641	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21	ZINC000342972475	428496811	/nfs/dbraw/zinc/49/68/11/428496811.db2.gz	QPGLGVBNOBFBBG-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21	ZINC000342972474	428497036	/nfs/dbraw/zinc/49/70/36/428497036.db2.gz	QPGLGVBNOBFBBG-IRXDYDNUSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CCOC)[C@H](CC)C2)c1	ZINC000353368817	428505687	/nfs/dbraw/zinc/50/56/87/428505687.db2.gz	HMUMITTVSABCCE-GOSISDBHSA-N	0	3	318.461	2.794	20	30		DFEDHN
N#CCCCN1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1	ZINC000372942403	428508198	/nfs/dbraw/zinc/50/81/98/428508198.db2.gz	BIFPOFNADITFRP-OAHLLOKOSA-N	0	3	313.449	2.878	20	30		DFEDHN
Cc1nc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1C#N	ZINC000398005150	428514020	/nfs/dbraw/zinc/51/40/20/428514020.db2.gz	YQCLCGHKXPYLQW-KDOFPFPSSA-N	0	3	306.413	3.337	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCCN(C2CCOCC2)CC1	ZINC000373227417	428522820	/nfs/dbraw/zinc/52/28/20/428522820.db2.gz	JOLODINHLSVMCN-MRXNPFEDSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCCN(C2CCOCC2)CC1	ZINC000373227415	428523612	/nfs/dbraw/zinc/52/36/12/428523612.db2.gz	JOLODINHLSVMCN-INIZCTEOSA-N	0	3	323.481	2.628	20	30		DFEDHN
Cc1nc(NC[C@H]2CCCN2Cc2ccccc2)ccc1C#N	ZINC000390658160	428473086	/nfs/dbraw/zinc/47/30/86/428473086.db2.gz	JVBAPVATRNLHDJ-GOSISDBHSA-N	0	3	306.413	3.338	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](CO)[C@H](C)C2)ccc1OC	ZINC000361658275	428586929	/nfs/dbraw/zinc/58/69/29/428586929.db2.gz	FFQHQVVQVVLCAG-GDBMZVCRSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#CC[C@@H](CC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1	ZINC000373483171	428587977	/nfs/dbraw/zinc/58/79/77/428587977.db2.gz	IQUYAYWJIUJSOR-ROUUACIJSA-N	0	3	311.429	2.771	20	30		DFEDHN
CC(C)CCN(CCC#N)C[C@@H]1CCO[C@@H]1c1ccnn1C	ZINC000343238747	428539207	/nfs/dbraw/zinc/53/92/07/428539207.db2.gz	ZXYJPLOAUBSJFW-RDJZCZTQSA-N	0	3	304.438	2.759	20	30		DFEDHN
CC(C)CCN(CCC#N)C[C@@H]1CCO[C@H]1c1ccnn1C	ZINC000343238745	428539376	/nfs/dbraw/zinc/53/93/76/428539376.db2.gz	ZXYJPLOAUBSJFW-DOTOQJQBSA-N	0	3	304.438	2.759	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)Cc1ccccc1)OCC	ZINC000343260083	428539754	/nfs/dbraw/zinc/53/97/54/428539754.db2.gz	PFWXAXFZNGCCEJ-AEFFLSMTSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@H](C)CN(C)Cc1ccccc1)OCC	ZINC000343260085	428541019	/nfs/dbraw/zinc/54/10/19/428541019.db2.gz	PFWXAXFZNGCCEJ-SJLPKXTDSA-N	0	3	318.461	2.994	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2cccc(OCCCC#N)c2)CCN1C	ZINC000361156221	428542216	/nfs/dbraw/zinc/54/22/16/428542216.db2.gz	RLLZVTMPIDAHMK-CVEARBPZSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1OC	ZINC000373321545	428546428	/nfs/dbraw/zinc/54/64/28/428546428.db2.gz	SOUXKLRQHMTKOX-GOSISDBHSA-N	0	3	303.402	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(C)ccc2OC)CC1	ZINC000357579401	428548753	/nfs/dbraw/zinc/54/87/53/428548753.db2.gz	GMBLKDJFOMADGY-UHFFFAOYSA-N	0	3	316.445	2.703	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1OC	ZINC000373328509	428550248	/nfs/dbraw/zinc/55/02/48/428550248.db2.gz	ONJGGPWQPZXIOV-IBGZPJMESA-N	0	3	317.429	2.997	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCOC1)C(C)C	ZINC000357720944	428557209	/nfs/dbraw/zinc/55/72/09/428557209.db2.gz	HXJQFMVNBPAJIB-WMZOPIPTSA-N	0	3	308.466	2.618	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1	ZINC000357799679	428564597	/nfs/dbraw/zinc/56/45/97/428564597.db2.gz	DVHCRBUNIDWRJL-LBPRGKRZSA-N	0	3	306.793	2.664	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000415317752	428566894	/nfs/dbraw/zinc/56/68/94/428566894.db2.gz	QAABEFNTDQRMKK-DLBZAZTESA-N	0	3	320.396	2.825	20	30		DFEDHN
C=CCN(Cc1cccn1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000353505104	428568376	/nfs/dbraw/zinc/56/83/76/428568376.db2.gz	VATCSLLUWNELQA-OAHLLOKOSA-N	0	3	322.416	2.750	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccc(OC)cc2)C1	ZINC000357844307	428568442	/nfs/dbraw/zinc/56/84/42/428568442.db2.gz	YYJMHRZDUGSUIZ-WBVHZDCISA-N	0	3	316.445	2.640	20	30		DFEDHN
COCCN(CC[C@@H]1CCCCO1)Cc1ccc(C#N)cc1	ZINC000347389917	428569277	/nfs/dbraw/zinc/56/92/77/428569277.db2.gz	GQUQFQRFVNRKBW-SFHVURJKSA-N	0	3	302.418	2.966	20	30		DFEDHN
CC#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000361492313	428570144	/nfs/dbraw/zinc/57/01/44/428570144.db2.gz	GQESATOJBGZOMN-AEFFLSMTSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCCO[C@H](C)c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000357944615	428571930	/nfs/dbraw/zinc/57/19/30/428571930.db2.gz	HZRNOXBBOIMXMY-JHJVBQTASA-N	0	3	304.394	2.579	20	30		DFEDHN
N#CC(C(=O)c1ccc2nncn2c1)c1nccc2ccccc21	ZINC000361528557	428574248	/nfs/dbraw/zinc/57/42/48/428574248.db2.gz	AIWIZJZARUPEFS-OAHLLOKOSA-N	0	3	313.320	2.768	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OC(C)C)C1(C)C	ZINC000361552434	428577080	/nfs/dbraw/zinc/57/70/80/428577080.db2.gz	TVRFNFHJTJHMLY-JYJNAYRXSA-N	0	3	310.482	2.981	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1	ZINC000408090538	428601842	/nfs/dbraw/zinc/60/18/42/428601842.db2.gz	RWBPGLNUPVVEPY-BFYDXBDKSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCCCN1CC[C@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000361929102	428605079	/nfs/dbraw/zinc/60/50/79/428605079.db2.gz	QWQSZVRMTZXYTH-HNNXBMFYSA-N	0	3	305.422	2.626	20	30		DFEDHN
COc1cc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)ccn1	ZINC000347569326	428607384	/nfs/dbraw/zinc/60/73/84/428607384.db2.gz	WDTUPHYGXSLYJX-ZDUSSCGKSA-N	0	3	324.384	2.641	20	30		DFEDHN
C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1	ZINC000347672579	428619071	/nfs/dbraw/zinc/61/90/71/428619071.db2.gz	JUUGHKOODGSOGZ-GLJUWKHASA-N	0	3	307.397	2.866	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCC(F)(F)CC1	ZINC000347611909	428619130	/nfs/dbraw/zinc/61/91/30/428619130.db2.gz	DYQXZDBGRYYQEI-LBPRGKRZSA-N	0	3	301.381	2.504	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C=C[C@H](CO)C2)ccc1OC	ZINC000347779654	428625333	/nfs/dbraw/zinc/62/53/33/428625333.db2.gz	PUXSLUNKTAVLEF-HOTGVXAUSA-N	0	3	303.402	2.677	20	30		DFEDHN
CO[C@H]1C[C@H](CN2CCCC2)N(c2c(F)cc(C#N)cc2F)C1	ZINC000347872450	428628210	/nfs/dbraw/zinc/62/82/10/428628210.db2.gz	XDVGGIUZWMDWSN-KGLIPLIRSA-N	0	3	321.371	2.526	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1	ZINC000347902524	428629439	/nfs/dbraw/zinc/62/94/39/428629439.db2.gz	HSHOYGOMZMWCTP-OAHLLOKOSA-N	0	3	300.402	2.560	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CCCN(C(C)C)C1	ZINC000347951405	428633975	/nfs/dbraw/zinc/63/39/75/428633975.db2.gz	MPGLIHSJSBMMQI-OAHLLOKOSA-N	0	3	302.418	2.854	20	30		DFEDHN
N#Cc1ccccc1CN1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000373511727	428595277	/nfs/dbraw/zinc/59/52/77/428595277.db2.gz	BHWOMMQEFMWJPO-LJQANCHMSA-N	0	3	303.365	2.654	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@](C)(CCC)C1=O)C(C)C	ZINC000348143365	428640084	/nfs/dbraw/zinc/64/00/84/428640084.db2.gz	KLYKXOVIQFHALJ-QAPCUYQASA-N	0	3	321.465	2.796	20	30		DFEDHN
N#Cc1ccc(CN(C(=O)Nc2ncccc2CN)C2CC2)cc1	ZINC000416025735	428651015	/nfs/dbraw/zinc/65/10/15/428651015.db2.gz	HKFDABHIZULGQL-UHFFFAOYSA-N	0	3	321.384	2.608	20	30		DFEDHN
COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1ccc(C#N)cc1	ZINC000365486284	274131448	/nfs/dbraw/zinc/13/14/48/274131448.db2.gz	BDNAGRQVMDJBQP-INIZCTEOSA-N	0	3	307.353	2.617	20	30		DFEDHN
Cc1nc(CN2C[C@H](F)C[C@@H]2CN(C)CCCC#N)cs1	ZINC000348188390	428646791	/nfs/dbraw/zinc/64/67/91/428646791.db2.gz	YKKFGHAVELTPID-UKRRQHHQSA-N	0	3	310.442	2.600	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H]2CC[C@H](CO)O2)cc1Cl	ZINC000353702075	428663968	/nfs/dbraw/zinc/66/39/68/428663968.db2.gz	HXBFLVVSRSIKRZ-UONOGXRCSA-N	0	3	311.809	2.534	20	30		DFEDHN
O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1	ZINC000374072499	428662120	/nfs/dbraw/zinc/66/21/20/428662120.db2.gz	QKYIISRKTMGEQN-OKZBNKHCSA-N	0	3	319.832	2.553	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)N(C)C	ZINC000416221822	428693234	/nfs/dbraw/zinc/69/32/34/428693234.db2.gz	CPBVDZUDAOBZLD-LMMKCTJWSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(Cc2cccnc2)C(C)C)CC1	ZINC000358831137	428694194	/nfs/dbraw/zinc/69/41/94/428694194.db2.gz	PTVRXIBJYJCGCT-UHFFFAOYSA-N	0	3	316.449	2.652	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](c2ccnc(N)n2)C1	ZINC000348291003	428695529	/nfs/dbraw/zinc/69/55/29/428695529.db2.gz	QMMIRUMCVSEALS-HNNXBMFYSA-N	0	3	324.428	3.003	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C	ZINC000348537749	428776303	/nfs/dbraw/zinc/77/63/03/428776303.db2.gz	YALRFBOOAJHGBB-SPYBWZPUSA-N	0	3	314.429	2.730	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)CCC#N)C1	ZINC000411302810	428777398	/nfs/dbraw/zinc/77/73/98/428777398.db2.gz	ZXFOSOKKHFACKM-CHWSQXEVSA-N	0	3	319.371	2.801	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N(CCC)C[C@H]1CCCCO1	ZINC000411364827	428782165	/nfs/dbraw/zinc/78/21/65/428782165.db2.gz	GYWOBSQLESGDLJ-DLBZAZTESA-N	0	3	308.466	2.857	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](CC)O1)C(C)C	ZINC000362519518	428783990	/nfs/dbraw/zinc/78/39/90/428783990.db2.gz	AWXLZTXWVXSXTA-BRWVUGGUSA-N	0	3	308.466	2.759	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000411146166	428746148	/nfs/dbraw/zinc/74/61/48/428746148.db2.gz	MTIKTQMKWTVUPH-CYBMUJFWSA-N	0	3	303.381	2.712	20	30		DFEDHN
CCN1CC[C@H](NC(=O)C(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000358967098	428751130	/nfs/dbraw/zinc/75/11/30/428751130.db2.gz	OYPLHXFSEPEZFG-NZVBXONLSA-N	0	3	323.799	2.890	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000411730084	428849369	/nfs/dbraw/zinc/84/93/69/428849369.db2.gz	HFRVLWWNRITULL-CVEARBPZSA-N	0	3	314.433	2.827	20	30		DFEDHN
C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000411417888	428794737	/nfs/dbraw/zinc/79/47/37/428794737.db2.gz	IYTVXGYCESRBDC-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
CC[C@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000353970549	428797874	/nfs/dbraw/zinc/79/78/74/428797874.db2.gz	FIIIBOIOGFFXMM-DOMZBBRYSA-N	0	3	306.431	2.565	20	30		DFEDHN
CC[C@H](N[C@H](C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000411456927	428803536	/nfs/dbraw/zinc/80/35/36/428803536.db2.gz	VQKPKMYQHMSRFK-ZBFHGGJFSA-N	0	3	317.433	2.887	20	30		DFEDHN
CCCN(CCc1cccs1)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000411556091	428817684	/nfs/dbraw/zinc/81/76/84/428817684.db2.gz	STDAKGJVVLCHAZ-CQSZACIVSA-N	0	3	319.474	2.954	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H](C)CCC#N)on1	ZINC000411597728	428822444	/nfs/dbraw/zinc/82/24/44/428822444.db2.gz	UGRBNNQWMUZRBR-KKUMJFAQSA-N	0	3	308.401	2.520	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1F	ZINC000411643682	428830286	/nfs/dbraw/zinc/83/02/86/428830286.db2.gz	PQGJETVYYBMUOS-HNNXBMFYSA-N	0	3	321.440	2.901	20	30		DFEDHN
CC(C#N)C(=O)NCCCCc1nc(-c2cccnc2)cs1	ZINC000359184392	428855104	/nfs/dbraw/zinc/85/51/04/428855104.db2.gz	JHZZMCLRBAEWIM-GFCCVEGCSA-N	0	3	314.414	2.804	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2coc3cc(F)ccc23)CC1	ZINC000359180546	428856024	/nfs/dbraw/zinc/85/60/24/428856024.db2.gz	YJBLLJKABWMXOJ-UHFFFAOYSA-N	0	3	316.376	2.881	20	30		DFEDHN
CN(C)C(=O)N[C@H]1CCCN(CCC2(C#N)CCCCC2)C1	ZINC000411803691	428859965	/nfs/dbraw/zinc/85/99/65/428859965.db2.gz	FRMUVGRMYHTDSZ-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCC[C@@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1	ZINC000417907182	428872900	/nfs/dbraw/zinc/87/29/00/428872900.db2.gz	DOQIWAQUKVVLNM-HUUCEWRRSA-N	0	3	323.387	2.990	20	30		DFEDHN
N#CCC1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1	ZINC000418118257	428882297	/nfs/dbraw/zinc/88/22/97/428882297.db2.gz	DNRDYPOUWDDISX-KRWDZBQOSA-N	0	3	322.412	2.833	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375431903	428883734	/nfs/dbraw/zinc/88/37/34/428883734.db2.gz	UMZRGYNMMJKJAN-HNNXBMFYSA-N	0	3	324.384	2.687	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000363288430	428899211	/nfs/dbraw/zinc/89/92/11/428899211.db2.gz	IOIDPDLPOCKTME-AEFFLSMTSA-N	0	3	313.445	2.610	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1c(C#N)cccc1C#N	ZINC000375518970	428904900	/nfs/dbraw/zinc/90/49/00/428904900.db2.gz	GZEAURJVGVGKHO-ZTFGCOKTSA-N	0	3	324.428	2.731	20	30		DFEDHN
C=CCN(C[C@@H](CC)OC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000419210491	428928999	/nfs/dbraw/zinc/92/89/99/428928999.db2.gz	VCGTYHAGUPNEGS-WMLDXEAASA-N	0	3	315.421	2.636	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1	ZINC000375641580	428930805	/nfs/dbraw/zinc/93/08/05/428930805.db2.gz	NYXWTIJFXHKHFT-ZDUSSCGKSA-N	0	3	317.820	2.958	20	30		DFEDHN
COCCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1	ZINC000419379596	428931372	/nfs/dbraw/zinc/93/13/72/428931372.db2.gz	FMUJEUKOSRKHOR-INIZCTEOSA-N	0	3	317.433	2.680	20	30		DFEDHN
CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C	ZINC000419331406	428931832	/nfs/dbraw/zinc/93/18/32/428931832.db2.gz	ROXYTUJFYNNKCQ-JKSUJKDBSA-N	0	3	318.465	2.789	20	30		DFEDHN
CC(C)(C)OC(=O)CN[C@@]1(C)CCN(CC(C)(C)CCC#N)C1	ZINC000349152685	428932422	/nfs/dbraw/zinc/93/24/22/428932422.db2.gz	QPSRIDYBIUFNOD-SFHVURJKSA-N	0	3	323.481	2.712	20	30		DFEDHN
CC(C)(C)OC(=O)CN[C@]1(C)CCN(CC(C)(C)CCC#N)C1	ZINC000349152682	428932466	/nfs/dbraw/zinc/93/24/66/428932466.db2.gz	QPSRIDYBIUFNOD-GOSISDBHSA-N	0	3	323.481	2.712	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CO)[C@@H](O)CCC)cc1Cl	ZINC000419822052	428940651	/nfs/dbraw/zinc/94/06/51/428940651.db2.gz	NRKPNVDUPDQPOO-GJZGRUSLSA-N	0	3	313.825	2.516	20	30		DFEDHN
N#CC1(F)CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1	ZINC000359364103	428940977	/nfs/dbraw/zinc/94/09/77/428940977.db2.gz	ROGIFAMNGZLOJK-UHFFFAOYSA-N	0	3	315.392	2.750	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc(C#N)cc1F	ZINC000363587276	428947684	/nfs/dbraw/zinc/94/76/84/428947684.db2.gz	MNTYZBZKYCFBGB-KMFMINBZSA-N	0	3	317.408	2.999	20	30		DFEDHN
C[C@]1(F)CNCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000420260556	428953823	/nfs/dbraw/zinc/95/38/23/428953823.db2.gz	JAQVKLDJEOSIPW-ZDUSSCGKSA-N	0	3	301.287	2.715	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc(C#N)s1	ZINC000420788837	428962803	/nfs/dbraw/zinc/96/28/03/428962803.db2.gz	LKCWMCVFPXGPSK-STQMWFEESA-N	0	3	320.462	2.682	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(C(C)C)n2)CC1	ZINC000354313619	428964159	/nfs/dbraw/zinc/96/41/59/428964159.db2.gz	UAQKYRKHWAKRPF-UHFFFAOYSA-N	0	3	301.434	2.975	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(c3ccccc3Cl)C2)cc1C#N	ZINC000375982215	429034926	/nfs/dbraw/zinc/03/49/26/429034926.db2.gz	WNNFCAWMBUVGHP-AWEZNQCLSA-N	0	3	314.820	2.919	20	30		DFEDHN
Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)ccc21	ZINC000355155973	429029615	/nfs/dbraw/zinc/02/96/15/429029615.db2.gz	YJCBOTJBZAPHHS-LBPRGKRZSA-N	0	3	315.336	2.940	20	30		DFEDHN
C[C@@H](NC[C@H]1CNC(=O)O1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363721870	428977093	/nfs/dbraw/zinc/97/70/93/428977093.db2.gz	WIXFOVNESCOAJD-ACJLOTCBSA-N	0	3	321.380	2.984	20	30		DFEDHN
Cc1cccc(CN2CCN(c3ccccc3C#N)CC2)c1O	ZINC000179667968	274792619	/nfs/dbraw/zinc/79/26/19/274792619.db2.gz	LJSUOOIEUXHDGB-UHFFFAOYSA-N	0	3	307.397	2.895	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1cc(C#N)[nH]c1C	ZINC000451794996	428978002	/nfs/dbraw/zinc/97/80/02/428978002.db2.gz	HYPZEKJMKHTGCJ-UHFFFAOYSA-N	0	3	316.449	2.923	20	30		DFEDHN
Cc1ccnc([C@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000375804647	428979298	/nfs/dbraw/zinc/97/92/98/428979298.db2.gz	JAGINAOIGAUBPD-HNNXBMFYSA-N	0	3	321.428	2.976	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC	ZINC000354436935	428985172	/nfs/dbraw/zinc/98/51/72/428985172.db2.gz	DJMXXDNYZYYTNB-GASCZTMLSA-N	0	3	304.434	2.784	20	30		DFEDHN
N#CC(C(=O)c1cccc(Br)c1)c1ccncn1	ZINC000354470541	428987669	/nfs/dbraw/zinc/98/76/69/428987669.db2.gz	SKYGNCKCOITIED-LLVKDONJSA-N	0	3	302.131	2.729	20	30		DFEDHN
CC1=NN(c2ccc(C(=O)C(C#N)c3ccncn3)cc2)CC1	ZINC000354476671	428990481	/nfs/dbraw/zinc/99/04/81/428990481.db2.gz	ZZBNVSDXSYGBDH-HNNXBMFYSA-N	0	3	305.341	2.553	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)c2ccc(F)c(C#N)c2)c1	ZINC000349474344	428993878	/nfs/dbraw/zinc/99/38/78/428993878.db2.gz	LJWLRRVTBTYKCW-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
COCCN(CCOc1cccc(C#N)c1)[C@@H]1CCCSC1	ZINC000433189830	429006354	/nfs/dbraw/zinc/00/63/54/429006354.db2.gz	DXXFJINWFQLZPF-MRXNPFEDSA-N	0	3	320.458	2.781	20	30		DFEDHN
CC(C)(C)c1ccc(CCNC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424080839	429089486	/nfs/dbraw/zinc/08/94/86/429089486.db2.gz	IVOGUOVXOTUFPG-INIZCTEOSA-N	0	3	301.434	2.664	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Br)cc1	ZINC000424103259	429091573	/nfs/dbraw/zinc/09/15/73/429091573.db2.gz	CYZWYDQADSYUMK-GXFFZTMASA-N	0	3	324.222	2.647	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1	ZINC000424114296	429092687	/nfs/dbraw/zinc/09/26/87/429092687.db2.gz	QYYPUFKETPECPT-CQSZACIVSA-N	0	3	307.825	2.755	20	30		DFEDHN
CN(CCc1cccc2ccccc21)C(=O)[C@H](N)CCCC#N	ZINC000424111180	429093037	/nfs/dbraw/zinc/09/30/37/429093037.db2.gz	GNMVFPYLLFEWFX-GOSISDBHSA-N	0	3	309.413	2.862	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1	ZINC000424111323	429093416	/nfs/dbraw/zinc/09/34/16/429093416.db2.gz	GCMUGGZBHVIHGD-SQNIBIBYSA-N	0	3	313.445	2.925	20	30		DFEDHN
COc1cc2nc(C)sc2cc1NC(=O)[C@H](N)CCCC#N	ZINC000424115211	429093427	/nfs/dbraw/zinc/09/34/27/429093427.db2.gz	UNDHQVNSIFKHFC-SNVBAGLBSA-N	0	3	318.402	2.573	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCC#N	ZINC000424125265	429093857	/nfs/dbraw/zinc/09/38/57/429093857.db2.gz	QKIQCYCROWHOBX-CVEARBPZSA-N	0	3	305.397	2.530	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1ccccc1	ZINC000424117597	429094153	/nfs/dbraw/zinc/09/41/53/429094153.db2.gz	CQJUMRJNRCHGOB-BPUTZDHNSA-N	0	3	317.458	2.713	20	30		DFEDHN
CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424123713	429094475	/nfs/dbraw/zinc/09/44/75/429094475.db2.gz	MZRNOXWSJQDMSO-HUUCEWRRSA-N	0	3	309.360	2.799	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000355324176	429039113	/nfs/dbraw/zinc/03/91/13/429039113.db2.gz	XFRADNGITVJBEG-GOSISDBHSA-N	0	3	314.429	2.960	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)C1=O	ZINC000452023097	429039149	/nfs/dbraw/zinc/03/91/49/429039149.db2.gz	WAFUPKKLVAOWEX-BQFCYCMXSA-N	0	3	314.429	2.660	20	30		DFEDHN
CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1	ZINC000355338176	429040346	/nfs/dbraw/zinc/04/03/46/429040346.db2.gz	QZRBXTRQYACVCR-GJZGRUSLSA-N	0	3	312.373	2.655	20	30		DFEDHN
CC[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000421971879	429046618	/nfs/dbraw/zinc/04/66/18/429046618.db2.gz	BILYKYQICWRBFI-GVDBMIGSSA-N	0	3	300.402	2.833	20	30		DFEDHN
CC[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000421971880	429047027	/nfs/dbraw/zinc/04/70/27/429047027.db2.gz	BILYKYQICWRBFI-IXDOHACOSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#CCCCOc1cccc(N[C@@H](C2CC2)[C@@H]2CNCCO2)c1	ZINC000423027410	429053833	/nfs/dbraw/zinc/05/38/33/429053833.db2.gz	OTDWQMAOCUERSY-ROUUACIJSA-N	0	3	315.417	2.548	20	30		DFEDHN
C[C@H](Nc1ccc(N2CCNCC2)cn1)c1cccc(C#N)c1	ZINC000423224793	429054523	/nfs/dbraw/zinc/05/45/23/429054523.db2.gz	CQSAXDDIVFWUED-AWEZNQCLSA-N	0	3	307.401	2.536	20	30		DFEDHN
C[C@@H](C(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1cccc(C#N)c1	ZINC000452169861	429078296	/nfs/dbraw/zinc/07/82/96/429078296.db2.gz	GPLDXKDXSCYFKJ-HUUCEWRRSA-N	0	3	311.429	2.604	20	30		DFEDHN
Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Br	ZINC000424075229	429086949	/nfs/dbraw/zinc/08/69/49/429086949.db2.gz	IVNOAJIJWYFONB-LBPRGKRZSA-N	0	3	310.195	2.717	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CC[C@H](N2CC=CC2)C1	ZINC000290807664	274917740	/nfs/dbraw/zinc/91/77/40/274917740.db2.gz	QSPMYINFHSJBGE-LBPRGKRZSA-N	0	3	318.218	2.771	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453364264	429148256	/nfs/dbraw/zinc/14/82/56/429148256.db2.gz	RDVWZPQPVSQEHO-GXTWGEPZSA-N	0	3	308.378	2.971	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453426514	429150839	/nfs/dbraw/zinc/15/08/39/429150839.db2.gz	RNJZNVLQLSWXCW-AWEZNQCLSA-N	0	3	315.421	2.645	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453463452	429153429	/nfs/dbraw/zinc/15/34/29/429153429.db2.gz	JMQKRXJVLWARDJ-MRXNPFEDSA-N	0	3	317.481	2.726	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1nc2cc(Cl)ccc2n1C	ZINC000424179095	429106304	/nfs/dbraw/zinc/10/63/04/429106304.db2.gz	XQHDHJCJOXFKQF-NHYWBVRUSA-N	0	3	305.809	2.907	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@@H](N)CCCC#N)[C@@H]2C	ZINC000424184194	429106982	/nfs/dbraw/zinc/10/69/82/429106982.db2.gz	CSXXDEKMZOMYBP-AHIWAGSCSA-N	0	3	315.417	2.551	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCO[C@H]2c2cnn(C)c2)c1	ZINC000424196445	429107982	/nfs/dbraw/zinc/10/79/82/429107982.db2.gz	GDUQGIJWJCOVBX-MSOLQXFVSA-N	0	3	313.401	2.605	20	30		DFEDHN
CC(C)[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000434867206	429114336	/nfs/dbraw/zinc/11/43/36/429114336.db2.gz	ZOHSDAVUGZDVOG-MSOLQXFVSA-N	0	3	322.412	2.509	20	30		DFEDHN
COc1cccc([C@@H](CNc2ncc(C#N)cc2F)N(C)C)c1	ZINC000413030808	429125068	/nfs/dbraw/zinc/12/50/68/429125068.db2.gz	WCQFEXRIEHEVKR-MRXNPFEDSA-N	0	3	314.364	2.816	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCc1cccc(OCCN(C)C)c1	ZINC000454320472	429163256	/nfs/dbraw/zinc/16/32/56/429163256.db2.gz	RTTIFSOPMMREQA-UHFFFAOYSA-N	0	3	319.449	2.638	20	30		DFEDHN
C=CCC1(C(=O)NCCN(C)Cc2ccccc2)CCOCC1	ZINC000424610390	429164429	/nfs/dbraw/zinc/16/44/29/429164429.db2.gz	PZKTUSFCCQJCMZ-UHFFFAOYSA-N	0	3	316.445	2.608	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000454350423	429165206	/nfs/dbraw/zinc/16/52/06/429165206.db2.gz	XHHWIEBAJAGHBJ-UHFFFAOYSA-N	0	3	316.449	2.859	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCOC(C)(C)C2)CC1	ZINC000454457254	429166059	/nfs/dbraw/zinc/16/60/59/429166059.db2.gz	DYMSHTAIDPRZTI-OAHLLOKOSA-N	0	3	323.481	2.531	20	30		DFEDHN
CC(C)[C@@H]1CN(CCCOc2cccc(C#N)c2)CCN1C	ZINC000487958709	429174128	/nfs/dbraw/zinc/17/41/28/429174128.db2.gz	ZNGZAIVHEYLMKE-SFHVURJKSA-N	0	3	301.434	2.599	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@H](C(C)C)C2)cc(OC)c1O	ZINC000488545109	429182354	/nfs/dbraw/zinc/18/23/54/429182354.db2.gz	OMKREJWPZZMSNV-KRWDZBQOSA-N	0	3	318.461	2.901	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)NC(C)(C)CN(C)C)cc1C#N	ZINC000454993453	429177657	/nfs/dbraw/zinc/17/76/57/429177657.db2.gz	CTKGLUAZUXFQQD-UHFFFAOYSA-N	0	3	318.421	2.807	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCOC1(C)C)C(C)C	ZINC000455257576	429183504	/nfs/dbraw/zinc/18/35/04/429183504.db2.gz	RHPMQRLRQVTRQX-CVEARBPZSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488722050	429191245	/nfs/dbraw/zinc/19/12/45/429191245.db2.gz	NGBKVJSXHIAYBC-XEZPLFJOSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCC1(C(=O)NCCN2CCCC(C)(C)C2)CCOCC1	ZINC000424806806	429193114	/nfs/dbraw/zinc/19/31/14/429193114.db2.gz	IMIHLTFOAYMOSC-UHFFFAOYSA-N	0	3	308.466	2.598	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(F)cc2C#N)C1	ZINC000495555551	429221811	/nfs/dbraw/zinc/22/18/11/429221811.db2.gz	GJAYCUSMXIGUJX-GXTWGEPZSA-N	0	3	319.380	2.654	20	30		DFEDHN
COc1cc(CN[C@H](CO)Cc2ccc(C)cc2)ccc1C#N	ZINC000440623815	429226008	/nfs/dbraw/zinc/22/60/08/429226008.db2.gz	XIBDYBSJQHFVFZ-SFHVURJKSA-N	0	3	310.397	2.569	20	30		DFEDHN
COc1ccc(OCCNCc2ccc(C#N)c(OC)c2)cc1	ZINC000440801888	429227263	/nfs/dbraw/zinc/22/72/63/429227263.db2.gz	BOLOWIDOKZVYQE-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
COc1cc(CNCCn2cnc3ccccc32)ccc1C#N	ZINC000440799292	429227615	/nfs/dbraw/zinc/22/76/15/429227615.db2.gz	KDIOTVZDRWEGRE-UHFFFAOYSA-N	0	3	306.369	2.706	20	30		DFEDHN
CN1C[C@@H]2CCCN(C(=O)C[C@@H](CC#N)c3ccccc3)[C@@H]2C1	ZINC000425062666	429228964	/nfs/dbraw/zinc/22/89/64/429228964.db2.gz	DPSKRWPWVMTXSJ-FGTMMUONSA-N	0	3	311.429	2.627	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCCC[C@H]1C	ZINC000441004116	429229944	/nfs/dbraw/zinc/22/99/44/429229944.db2.gz	ZGLYZGMUZZANED-XNIRIUNOSA-N	0	3	320.481	2.878	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCC1CCC(C#N)CC1	ZINC000440995914	429230228	/nfs/dbraw/zinc/23/02/28/429230228.db2.gz	AMJKZSPBOXISAL-JCYILVPMSA-N	0	3	320.481	2.880	20	30		DFEDHN
CN(C)C1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCC1	ZINC000456007941	429230341	/nfs/dbraw/zinc/23/03/41/429230341.db2.gz	APFQJIGNGJZSPM-UHFFFAOYSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(OC(=O)N(C)C)CC1	ZINC000495598479	429230778	/nfs/dbraw/zinc/23/07/78/429230778.db2.gz	RPYABEWHQWPLOU-CYBMUJFWSA-N	0	3	301.390	2.782	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000488772699	429197589	/nfs/dbraw/zinc/19/75/89/429197589.db2.gz	ZWSXHWDWAQSJAR-QWQRMKEZSA-N	0	3	311.429	2.927	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455700805	429200332	/nfs/dbraw/zinc/20/03/32/429200332.db2.gz	IZMDRHRETVGWAX-UHFFFAOYSA-N	0	3	320.824	2.966	20	30		DFEDHN
C[C@H](Cn1cccn1)NCc1ccc(C#N)cc1OC(F)F	ZINC000437151423	429203214	/nfs/dbraw/zinc/20/32/14/429203214.db2.gz	GCNRZYUUNBZVLK-LLVKDONJSA-N	0	3	306.316	2.534	20	30		DFEDHN
CC(C)N1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000437433425	429203652	/nfs/dbraw/zinc/20/36/52/429203652.db2.gz	ZCHBQCXELXWOSU-UHFFFAOYSA-N	0	3	309.360	2.686	20	30		DFEDHN
CC1=C(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC1	ZINC000437283243	429203990	/nfs/dbraw/zinc/20/39/90/429203990.db2.gz	GBIBGYMDUBBDOI-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
Cc1ccnc(NC[C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1	ZINC000365244064	429285950	/nfs/dbraw/zinc/28/59/50/429285950.db2.gz	RZJPPQFOHYCNJW-OAHLLOKOSA-N	0	3	309.417	2.534	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000442644354	429233471	/nfs/dbraw/zinc/23/34/71/429233471.db2.gz	CBQDRCAIBGVWRU-SJLPKXTDSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC(C)CN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443405353	429247988	/nfs/dbraw/zinc/24/79/88/429247988.db2.gz	JQSONUDVMKMVMS-UHFFFAOYSA-N	0	3	312.339	2.750	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000495726508	429253137	/nfs/dbraw/zinc/25/31/37/429253137.db2.gz	HKZJEMLHPAYUFL-HNNXBMFYSA-N	0	3	312.454	2.768	20	30		DFEDHN
C=CCOCCN1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000495730405	429253437	/nfs/dbraw/zinc/25/34/37/429253437.db2.gz	QHERTEGQBOZLJN-GOSISDBHSA-N	0	3	324.465	2.912	20	30		DFEDHN
C=CCCCS(=O)(=O)N(C)C(C)(C)CN1CCCCCC1	ZINC000489663107	429256136	/nfs/dbraw/zinc/25/61/36/429256136.db2.gz	UYVBCIKPRZANMK-UHFFFAOYSA-N	0	3	316.511	2.869	20	30		DFEDHN
Cc1nccnc1[C@H](C)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000364733271	429256838	/nfs/dbraw/zinc/25/68/38/429256838.db2.gz	JCMXTHABEYZYPU-DOTOQJQBSA-N	0	3	321.428	2.976	20	30		DFEDHN
C=CCC1(C(=O)N2CCCN(CC3CCC3)CC2)CCOCC1	ZINC000425304703	429260188	/nfs/dbraw/zinc/26/01/88/429260188.db2.gz	QLKJLOUYYDBDKE-UHFFFAOYSA-N	0	3	320.477	2.694	20	30		DFEDHN
Cc1cc(CNCc2ccc(-n3cncn3)cc2)ccc1C#N	ZINC000443979072	429260570	/nfs/dbraw/zinc/26/05/70/429260570.db2.gz	NCWFBFXQCQBITQ-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
Cc1cc(CNCc2cccc(-n3cncn3)c2)ccc1C#N	ZINC000444003634	429261691	/nfs/dbraw/zinc/26/16/91/429261691.db2.gz	USXBKIQZSGVMNC-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
C=CCOCCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000495796842	429267659	/nfs/dbraw/zinc/26/76/59/429267659.db2.gz	YSNGVBHSSWLUQR-KRWDZBQOSA-N	0	3	310.438	2.522	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br	ZINC000456281799	429270526	/nfs/dbraw/zinc/27/05/26/429270526.db2.gz	WCAYERAILCVUHD-RDDDGLTNSA-N	0	3	311.154	2.851	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC(C)(C)C#N)C1	ZINC000456336129	429279894	/nfs/dbraw/zinc/27/98/94/429279894.db2.gz	NFKXTHZJWGSYEI-INIZCTEOSA-N	0	3	313.445	2.907	20	30		DFEDHN
Cc1ncccc1O[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1	ZINC000365227107	429281841	/nfs/dbraw/zinc/28/18/41/429281841.db2.gz	RHAWEKXZMBXHSE-GOSISDBHSA-N	0	3	323.396	2.794	20	30		DFEDHN
CCn1ccnc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000456344267	429281971	/nfs/dbraw/zinc/28/19/71/429281971.db2.gz	FQWVTVRPOZFZRY-GDBMZVCRSA-N	0	3	310.401	2.853	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000448807182	429319248	/nfs/dbraw/zinc/31/92/48/429319248.db2.gz	ACWXOFRXXQZELN-UHFFFAOYSA-N	0	3	314.433	2.533	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)C1CCCCC1	ZINC000448956893	429321415	/nfs/dbraw/zinc/32/14/15/429321415.db2.gz	SEJBGKATTOACPK-UHFFFAOYSA-N	0	3	302.422	2.531	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](c1ccc(F)cc1)c1cccnc1	ZINC000491073467	429322500	/nfs/dbraw/zinc/32/25/00/429322500.db2.gz	ZNPMPLJXPJLBQV-IBGZPJMESA-N	0	3	311.404	2.855	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(C3CCC3)cc2)CC1	ZINC000491203394	429333131	/nfs/dbraw/zinc/33/31/31/429333131.db2.gz	VVOSCAPTOOZQGG-UHFFFAOYSA-N	0	3	310.441	2.916	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000456740286	429344701	/nfs/dbraw/zinc/34/47/01/429344701.db2.gz	VKWMBXVVDPSAKO-MSOLQXFVSA-N	0	3	320.392	2.879	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccco1	ZINC000425781301	429345364	/nfs/dbraw/zinc/34/53/64/429345364.db2.gz	FCLIEUMCTFOWFR-LXTVHRRPSA-N	0	3	318.421	2.700	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NCC1(N(C)C)CCC1	ZINC000445855918	429291658	/nfs/dbraw/zinc/29/16/58/429291658.db2.gz	BJAXWUJJRSFPLM-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
COCC[C@@]1(NCc2cccc(OCCCC#N)c2)CCOC1	ZINC000447087163	429302480	/nfs/dbraw/zinc/30/24/80/429302480.db2.gz	OLPJULCNAHTXFS-GOSISDBHSA-N	0	3	318.417	2.654	20	30		DFEDHN
C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CC1	ZINC000495978958	429303144	/nfs/dbraw/zinc/30/31/44/429303144.db2.gz	DXYBWACEJKCFKU-KGLIPLIRSA-N	0	3	307.438	2.915	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000490714186	429303236	/nfs/dbraw/zinc/30/32/36/429303236.db2.gz	NOQZTKAJNFJJER-GDBMZVCRSA-N	0	3	319.474	2.796	20	30		DFEDHN
COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1NC(C)=O	ZINC000447560856	429304364	/nfs/dbraw/zinc/30/43/64/429304364.db2.gz	FXMDVBQGRGDNJW-ZFWWWQNUSA-N	0	3	301.390	2.826	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000490780612	429305709	/nfs/dbraw/zinc/30/57/09/429305709.db2.gz	MSRVXBNIVXMLID-FUHWJXTLSA-N	0	3	313.445	2.562	20	30		DFEDHN
C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)o1	ZINC000496105756	429306807	/nfs/dbraw/zinc/30/68/07/429306807.db2.gz	QKBKZMISMXCKSX-RYUDHWBXSA-N	0	3	307.394	2.933	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)c2nccn21	ZINC000456440256	429307958	/nfs/dbraw/zinc/30/79/58/429307958.db2.gz	YKIDWXVUKCWEOQ-BMFZPTHFSA-N	0	3	308.385	2.778	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc3c(OC)ccnc23)CC1	ZINC000490899864	429312398	/nfs/dbraw/zinc/31/23/98/429312398.db2.gz	QJIKQGIUZIYJGC-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000448693540	429315950	/nfs/dbraw/zinc/31/59/50/429315950.db2.gz	DQJZNQKBSAFLKR-OAGGEKHMSA-N	0	3	322.474	2.838	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCCC[C@@H]2C)cc1	ZINC000448708565	429316318	/nfs/dbraw/zinc/31/63/18/429316318.db2.gz	NTDICHDDFZRQGG-INIZCTEOSA-N	0	3	316.445	2.785	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000491727223	429397888	/nfs/dbraw/zinc/39/78/88/429397888.db2.gz	BOCQYCZAMZGHMU-JQHSSLGASA-N	0	3	313.445	2.751	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1COC(C)(C)C	ZINC000491738282	429398824	/nfs/dbraw/zinc/39/88/24/429398824.db2.gz	SKPRGSLWWRTIDQ-UHFFFAOYSA-N	0	3	316.445	2.687	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000457101014	429400147	/nfs/dbraw/zinc/40/01/47/429400147.db2.gz	XLSOFBIWUSRRKR-ZDUSSCGKSA-N	0	3	305.809	2.766	20	30		DFEDHN
C#C[C@@H](NC[C@H](O)c1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000491746055	429401919	/nfs/dbraw/zinc/40/19/19/429401919.db2.gz	ZLOJNAKKGKABCY-KGLIPLIRSA-N	0	3	301.308	2.866	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000491782092	429406925	/nfs/dbraw/zinc/40/69/25/429406925.db2.gz	MWGGTDNFZRUITB-INIZCTEOSA-N	0	3	313.445	2.623	20	30		DFEDHN
COc1ccc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1C#N	ZINC000517957213	429407377	/nfs/dbraw/zinc/40/73/77/429407377.db2.gz	OHOATMAKFQZOAU-QGZVFWFLSA-N	0	3	324.428	2.926	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000491786483	429408062	/nfs/dbraw/zinc/40/80/62/429408062.db2.gz	OYCVJXXSZCEUSQ-DZKIICNBSA-N	0	3	319.474	2.794	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000491525786	429370892	/nfs/dbraw/zinc/37/08/92/429370892.db2.gz	VFBWPZBKSMYZLS-HUUCEWRRSA-N	0	3	319.474	2.671	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000491525785	429370961	/nfs/dbraw/zinc/37/09/61/429370961.db2.gz	VFBWPZBKSMYZLS-GJZGRUSLSA-N	0	3	319.474	2.671	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000514982677	429373365	/nfs/dbraw/zinc/37/33/65/429373365.db2.gz	NOGLJCBKRPMCBH-AZFSHXRASA-N	0	3	323.440	2.925	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000515165908	429374549	/nfs/dbraw/zinc/37/45/49/429374549.db2.gz	NSMDZNXZPKWLIJ-GJZGRUSLSA-N	0	3	300.381	2.685	20	30		DFEDHN
CC(C)[C@@H](CO)[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C	ZINC000516186025	429380409	/nfs/dbraw/zinc/38/04/09/429380409.db2.gz	VSLZUQFEWNSCLC-WBVHZDCISA-N	0	3	319.405	2.845	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](CNC[C@@H](C#N)CCC#N)C1	ZINC000516645297	429382108	/nfs/dbraw/zinc/38/21/08/429382108.db2.gz	SXNNOYXQXSWGML-CVEARBPZSA-N	0	3	312.417	2.555	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000457049896	429384986	/nfs/dbraw/zinc/38/49/86/429384986.db2.gz	FUTXRVKFUYDPRR-KRWDZBQOSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC(C)O[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000517133430	429386564	/nfs/dbraw/zinc/38/65/64/429386564.db2.gz	DAZYDPIIXQBISV-GOSISDBHSA-N	0	3	324.428	2.958	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1ccncc1C	ZINC000517361462	429388723	/nfs/dbraw/zinc/38/87/23/429388723.db2.gz	LFCRPWPOAYBROZ-GOSISDBHSA-N	0	3	312.413	2.648	20	30		DFEDHN
C#C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1	ZINC000491671453	429389072	/nfs/dbraw/zinc/38/90/72/429389072.db2.gz	SBDQYMPEGPAXLO-GOEBONIOSA-N	0	3	317.820	2.550	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(C2CC2)nc1	ZINC000519085764	429446255	/nfs/dbraw/zinc/44/62/55/429446255.db2.gz	QQDRMPWRSFEQNX-CYBMUJFWSA-N	0	3	317.352	2.731	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC)c(OC)c1	ZINC000449546649	429447554	/nfs/dbraw/zinc/44/75/54/429447554.db2.gz	CVHQSJSGNHWFSC-KGLIPLIRSA-N	0	3	307.390	2.536	20	30		DFEDHN
COc1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1C#N	ZINC000449553070	429448006	/nfs/dbraw/zinc/44/80/06/429448006.db2.gz	KVRSRFIXTXNNAI-OIISXLGYSA-N	0	3	300.402	2.550	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1	ZINC000427413411	429449706	/nfs/dbraw/zinc/44/97/06/429449706.db2.gz	MDOJVKKGRVNORL-ABAIWWIYSA-N	0	3	314.776	2.837	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1cccc(C#N)c1	ZINC000519540513	429463250	/nfs/dbraw/zinc/46/32/50/429463250.db2.gz	MHAIMNFKGTVRMV-IBGZPJMESA-N	0	3	322.408	2.816	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000491891578	429428443	/nfs/dbraw/zinc/42/84/43/429428443.db2.gz	ZXLZETGQVGSBQA-SCOBNMCVSA-N	0	3	312.200	2.792	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cnc2ccc(Br)cn12	ZINC000449694190	429480055	/nfs/dbraw/zinc/48/00/55/429480055.db2.gz	APUNCSSKCYZHFE-LBPRGKRZSA-N	0	3	324.222	2.514	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CCCc3sccc32)CC1	ZINC000366579954	429481491	/nfs/dbraw/zinc/48/14/91/429481491.db2.gz	KZQXRTSTFHJUEK-OAHLLOKOSA-N	0	3	304.459	2.935	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C\c1cccc(C#N)c1	ZINC000492297016	429506521	/nfs/dbraw/zinc/50/65/21/429506521.db2.gz	QFNIEAMAUVPLOT-LZNQSLFOSA-N	0	3	311.429	2.760	20	30		DFEDHN
CN(C)c1cccc(NCc2ccc(F)c(C#N)c2Cl)n1	ZINC000428866910	429557547	/nfs/dbraw/zinc/55/75/47/429557547.db2.gz	KVEOTWDMXHMMKP-UHFFFAOYSA-N	0	3	304.756	3.424	20	30		DFEDHN
COc1cc(CN2CCC[C@H](c3nccn3C)C2)ccc1C#N	ZINC000367024810	429559394	/nfs/dbraw/zinc/55/93/94/429559394.db2.gz	SXZXOXLLUSXVQX-INIZCTEOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000450063677	429562766	/nfs/dbraw/zinc/56/27/66/429562766.db2.gz	YOKCTMKLXCWUOY-LFEHRJTNSA-N	0	3	311.429	2.705	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000458096976	429579701	/nfs/dbraw/zinc/57/97/01/429579701.db2.gz	SGICTNWAHKPIQY-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCNC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000522226015	429585435	/nfs/dbraw/zinc/58/54/35/429585435.db2.gz	VKRUUHALWUYKGA-QGZVFWFLSA-N	0	3	315.461	2.945	20	30		DFEDHN
C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000450257301	429588293	/nfs/dbraw/zinc/58/82/93/429588293.db2.gz	KTJJYTAYGUNALD-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000457822442	429534656	/nfs/dbraw/zinc/53/46/56/429534656.db2.gz	JDMDPNLRAKYWDT-PBHICJAKSA-N	0	3	314.433	2.743	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)cn1	ZINC000521229121	429543988	/nfs/dbraw/zinc/54/39/88/429543988.db2.gz	WTJCVUNYVRVVIB-CRAIPNDOSA-N	0	3	306.413	2.931	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450391526	429615988	/nfs/dbraw/zinc/61/59/88/429615988.db2.gz	NEEGGSVQDZVCAC-AWEZNQCLSA-N	0	3	317.393	2.784	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2COCC)CC1	ZINC000458328869	429621784	/nfs/dbraw/zinc/62/17/84/429621784.db2.gz	XVKHGUBAXDOJIC-KRWDZBQOSA-N	0	3	323.481	2.628	20	30		DFEDHN
C[C@@H]1CN(CCC2CCN(CC3(C#N)CCC3)CC2)C[C@@H](C)O1	ZINC000450476853	429636164	/nfs/dbraw/zinc/63/61/64/429636164.db2.gz	SEZULJIGDWIRBV-IAGOWNOFSA-N	0	3	319.493	2.892	20	30		DFEDHN
C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN(C2CC2)C1	ZINC000450544300	429645116	/nfs/dbraw/zinc/64/51/16/429645116.db2.gz	NLNXWYCNSMBQDB-CQSZACIVSA-N	0	3	310.445	2.753	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000458161342	429590415	/nfs/dbraw/zinc/59/04/15/429590415.db2.gz	XMCPRFQIJWUXGO-GOSISDBHSA-N	0	3	313.445	2.797	20	30		DFEDHN
Cc1cc(NC(=O)CC(C)(C)C#N)ccc1OCCN(C)C	ZINC000458212392	429603433	/nfs/dbraw/zinc/60/34/33/429603433.db2.gz	NITLEFGSGIHULP-UHFFFAOYSA-N	0	3	303.406	2.814	20	30		DFEDHN
CCCN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCCCO1	ZINC000093132382	276256584	/nfs/dbraw/zinc/25/65/84/276256584.db2.gz	MTTULUNOQUHEJN-QGZVFWFLSA-N	0	3	312.417	2.987	20	30		DFEDHN
Cc1nsc(NC(=O)NCC(C)(C)N2CCCCC2)c1C#N	ZINC000459553115	429699646	/nfs/dbraw/zinc/69/96/46/429699646.db2.gz	WOIRJLIYGDSJBH-UHFFFAOYSA-N	0	3	321.450	2.709	20	30		DFEDHN
C[C@@H](CCCc1cccnc1)NCC(=O)Nc1cccc(C#N)c1	ZINC000459634995	429700451	/nfs/dbraw/zinc/70/04/51/429700451.db2.gz	FZQOPZLPBWYMTN-HNNXBMFYSA-N	0	3	322.412	2.893	20	30		DFEDHN
Cc1nn(C)c(N2CCN(CC3CCCCCC3)CC2)c1C#N	ZINC000471828528	429712543	/nfs/dbraw/zinc/71/25/43/429712543.db2.gz	XGCGITJDBUUEDE-UHFFFAOYSA-N	0	3	315.465	2.693	20	30		DFEDHN
CC#CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000483413067	429734698	/nfs/dbraw/zinc/73/46/98/429734698.db2.gz	GGWCLAQPGVUKNB-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
COC[C@]1(NCc2cc(C#N)cs2)COc2ccccc2C1	ZINC000527798860	429800629	/nfs/dbraw/zinc/80/06/29/429800629.db2.gz	IFMBHNDFXYTQJF-KRWDZBQOSA-N	0	3	314.410	2.730	20	30		DFEDHN
C#Cc1ccc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1	ZINC000368050663	429774506	/nfs/dbraw/zinc/77/45/06/429774506.db2.gz	GZTAHMDWHQWNKQ-FQEVSTJZSA-N	0	3	318.420	2.601	20	30		DFEDHN
C=CCN1CC[C@@H](N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)C1=O	ZINC000451151590	429775564	/nfs/dbraw/zinc/77/55/64/429775564.db2.gz	ZGCOYPJWYVCPBO-QNWHQSFQSA-N	0	3	304.356	2.825	20	30		DFEDHN
C=CCN1CC[C@@H](N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)C1=O	ZINC000451151593	429775654	/nfs/dbraw/zinc/77/56/54/429775654.db2.gz	ZGCOYPJWYVCPBO-UMSGYPCISA-N	0	3	304.356	2.825	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@](C)(COC)C1	ZINC000451188597	429782314	/nfs/dbraw/zinc/78/23/14/429782314.db2.gz	HSADXZRWJFZCOQ-PKOBYXMFSA-N	0	3	319.445	2.513	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1Cl	ZINC000527758186	429793470	/nfs/dbraw/zinc/79/34/70/429793470.db2.gz	MWQCUGUIMPMKCG-GDBMZVCRSA-N	0	3	311.809	2.534	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000451420953	429828150	/nfs/dbraw/zinc/82/81/50/429828150.db2.gz	NPCWISXGNZHMSH-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cscc1C#N	ZINC000432877906	429847294	/nfs/dbraw/zinc/84/72/94/429847294.db2.gz	OFPLUCSVSRZRNI-UPJWGTAASA-N	0	3	305.447	2.716	20	30		DFEDHN
CC#CCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000368443356	429849189	/nfs/dbraw/zinc/84/91/89/429849189.db2.gz	WHXOVEGZGGOTJC-ZBFHGGJFSA-N	0	3	319.836	2.655	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000493963526	429851066	/nfs/dbraw/zinc/85/10/66/429851066.db2.gz	NIESTBKXTLOUDY-ZDUSSCGKSA-N	0	3	323.437	2.784	20	30		DFEDHN
C[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1COc2ccccc21	ZINC000368487375	429856653	/nfs/dbraw/zinc/85/66/53/429856653.db2.gz	JBNOCFZFMOWOQR-SUMWQHHRSA-N	0	3	318.380	2.860	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cccc1C(C)C	ZINC000451601290	429860987	/nfs/dbraw/zinc/86/09/87/429860987.db2.gz	VAHBCEAMUUGXFN-CVEARBPZSA-N	0	3	302.418	2.990	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000451607346	429861551	/nfs/dbraw/zinc/86/15/51/429861551.db2.gz	PQLXHXVPQMMMIY-XGUBFFRZSA-N	0	3	320.458	2.733	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000368531617	429862539	/nfs/dbraw/zinc/86/25/39/429862539.db2.gz	WEGLQXPBSXNXIS-RCCFBDPRSA-N	0	3	322.493	2.817	20	30		DFEDHN
N#Cc1ccc(OCCN(CCO)Cc2cccc(F)c2)cc1	ZINC000494287382	429865145	/nfs/dbraw/zinc/86/51/45/429865145.db2.gz	IYHMSZOMHLOTKH-UHFFFAOYSA-N	0	3	314.360	2.571	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)c1	ZINC000368213810	429809542	/nfs/dbraw/zinc/80/95/42/429809542.db2.gz	CPICATOBVISABU-NVXWUHKLSA-N	0	3	310.401	2.929	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@](CO)(C(C)C)C2)cc(OC)c1O	ZINC000368225015	429812176	/nfs/dbraw/zinc/81/21/76/429812176.db2.gz	LODXYORYWXRHAD-LJQANCHMSA-N	0	3	319.445	2.970	20	30		DFEDHN
Cc1c(Cl)cnc(NC2CCN([C@H]3CCOC3)CC2)c1C#N	ZINC000368614400	429877800	/nfs/dbraw/zinc/87/78/00/429877800.db2.gz	QOSDQAFWTZRLPY-ZDUSSCGKSA-N	0	3	320.824	2.580	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)n1	ZINC000528365359	429878971	/nfs/dbraw/zinc/87/89/71/429878971.db2.gz	XDSUWYOOTFYMOB-UONOGXRCSA-N	0	3	305.447	2.686	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(F)c1	ZINC000368782581	429893699	/nfs/dbraw/zinc/89/36/99/429893699.db2.gz	CLABJTJKBNTKAS-IBGZPJMESA-N	0	3	321.355	2.793	20	30		DFEDHN
N#CC1(CCCN2CCSC3(CCOCC3)C2)CCOCC1	ZINC000369197585	429918992	/nfs/dbraw/zinc/91/89/92/429918992.db2.gz	JXJKORIPWATJHY-UHFFFAOYSA-N	0	3	324.490	2.685	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1	ZINC000494374687	429869838	/nfs/dbraw/zinc/86/98/38/429869838.db2.gz	MHOUBCKOJTZRDS-ZQIUZPCESA-N	0	3	312.417	2.752	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(Cc1ccccc1)C(C)C	ZINC000451684878	429871428	/nfs/dbraw/zinc/87/14/28/429871428.db2.gz	YJBIHCURMOBLSC-MSOLQXFVSA-N	0	3	316.445	2.747	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1	ZINC000451701766	429874538	/nfs/dbraw/zinc/87/45/38/429874538.db2.gz	RGKJOIWBHIQDHV-BFYDXBDKSA-N	0	3	300.402	2.550	20	30		DFEDHN
CN(C[C@@H](O)COc1ccccc1C#N)[C@H]1CCc2ccccc21	ZINC000528348538	429876083	/nfs/dbraw/zinc/87/60/83/429876083.db2.gz	KLKUGVAGABQNEN-MJGOQNOKSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccccc1)CC2	ZINC000573491996	429956863	/nfs/dbraw/zinc/95/68/63/429956863.db2.gz	RAINUSUVIDDYJO-LPHOPBHVSA-N	0	3	308.381	2.575	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC3(CC2)c2ccccc2N=C3C)C1=O	ZINC000639729930	429961819	/nfs/dbraw/zinc/96/18/19/429961819.db2.gz	UHYPTXJATRMYKL-SFHVURJKSA-N	0	3	323.440	2.913	20	30		DFEDHN
CCOc1ccc([C@@H](C)NC(=O)CCCNCCC#N)cc1	ZINC000573712668	429976519	/nfs/dbraw/zinc/97/65/19/429976519.db2.gz	FNFBGXNYFHDCQC-CQSZACIVSA-N	0	3	303.406	2.546	20	30		DFEDHN
CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1	ZINC000528915333	429933021	/nfs/dbraw/zinc/93/30/21/429933021.db2.gz	CGMOTNIDIIFWDB-RRFJBIMHSA-N	0	3	302.349	2.553	20	30		DFEDHN
CCc1oc2ccccc2c1CC(=O)C(C#N)C(=O)N1CCCC1	ZINC000528913262	429933230	/nfs/dbraw/zinc/93/32/30/429933230.db2.gz	HISXTGYEFCANFX-HNNXBMFYSA-N	0	3	324.380	2.869	20	30		DFEDHN
N#CC(C(=O)C1CCc2ccccc2CC1)C(=O)N1CCCC1	ZINC000528917254	429933678	/nfs/dbraw/zinc/93/36/78/429933678.db2.gz	SXDNGXRQTWTYST-KRWDZBQOSA-N	0	3	310.397	2.513	20	30		DFEDHN
CCc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1	ZINC000528921199	429935385	/nfs/dbraw/zinc/93/53/85/429935385.db2.gz	SEMZTEYBZKKHFH-INIZCTEOSA-N	0	3	322.368	2.742	20	30		DFEDHN
CCc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC1CC1	ZINC000528919979	429935609	/nfs/dbraw/zinc/93/56/09/429935609.db2.gz	ODLTVHNHIAXLNF-AWEZNQCLSA-N	0	3	310.353	2.525	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@H](C[C@@H]2CCOC2)C1	ZINC000369420315	429941343	/nfs/dbraw/zinc/94/13/43/429941343.db2.gz	AFLVZKACPNLVRV-SJORKVTESA-N	0	3	308.466	2.550	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCCO[C@H]2CCC[C@@H]21	ZINC000369457063	429948047	/nfs/dbraw/zinc/94/80/47/429948047.db2.gz	HVHCUIOXUZRVFF-KBPBESRZSA-N	0	3	319.430	2.592	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)[C@@]2(C#N)CC23CCCC3)C1	ZINC000574520470	430048571	/nfs/dbraw/zinc/04/85/71/430048571.db2.gz	WRSJFVLNCOQEHT-SFHVURJKSA-N	0	3	303.450	2.699	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CNCc1ccc(C#N)s1	ZINC000561403724	430089481	/nfs/dbraw/zinc/08/94/81/430089481.db2.gz	HXDNXQIQDDDJFP-AWEZNQCLSA-N	0	3	316.426	2.766	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529978652	430092420	/nfs/dbraw/zinc/09/24/20/430092420.db2.gz	MADCIKUJCCTHFB-AEKWLRTRSA-N	0	3	300.402	2.687	20	30		DFEDHN
C[C@@]1(CO)CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000576197591	430103026	/nfs/dbraw/zinc/10/30/26/430103026.db2.gz	KUCSCTYCLBXREX-HNNXBMFYSA-N	0	3	313.319	2.784	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc(OC)c1O	ZINC000576346989	430105549	/nfs/dbraw/zinc/10/55/49/430105549.db2.gz	DRPABCOYQNJCHK-CVEARBPZSA-N	0	3	303.402	2.740	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCC(=O)NC1CCCCC1)CC2	ZINC000562096853	430109162	/nfs/dbraw/zinc/10/91/62/430109162.db2.gz	WWBIOFPWUXEZAS-SFHVURJKSA-N	0	3	311.429	2.974	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1	ZINC000574989938	430054849	/nfs/dbraw/zinc/05/48/49/430054849.db2.gz	YMBIWLOHWGWTCE-VQIMIIECSA-N	0	3	313.445	2.995	20	30		DFEDHN
C[C@H](CNC[C@H](C#N)CCC#N)N1CCc2sccc2C1	ZINC000561256277	430083125	/nfs/dbraw/zinc/08/31/25/430083125.db2.gz	ACYTZYFNVIIURP-KGLIPLIRSA-N	0	3	302.447	2.528	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@H]2NCc1cnc2c(C#N)cnn2c1	ZINC000561278934	430085055	/nfs/dbraw/zinc/08/50/55/430085055.db2.gz	UVSATTYBTQQDEH-QGZVFWFLSA-N	0	3	303.369	2.687	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1cnccc1N1CCN(C)CC1	ZINC000532080097	430150982	/nfs/dbraw/zinc/15/09/82/430150982.db2.gz	SCNIXFIZYIFGKG-UHFFFAOYSA-N	0	3	314.433	2.540	20	30		DFEDHN
N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]32)sc2c1CCC2	ZINC000533081604	430157042	/nfs/dbraw/zinc/15/70/42/430157042.db2.gz	MMPRZSSPGMJYLE-SMDDNHRTSA-N	0	3	315.442	2.921	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)cc2F)CC1	ZINC000640418080	430167909	/nfs/dbraw/zinc/16/79/09/430167909.db2.gz	IZRNPYZCHRGCFQ-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
CC(C)O[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000563187050	430179989	/nfs/dbraw/zinc/17/99/89/430179989.db2.gz	RSMFVVWAZXYENK-IAGOWNOFSA-N	0	3	300.402	2.785	20	30		DFEDHN
C=CCCC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000539196981	430176100	/nfs/dbraw/zinc/17/61/00/430176100.db2.gz	APHWFCDEALPFLA-INIZCTEOSA-N	0	3	324.490	2.950	20	30		DFEDHN
Cc1nc(Nc2cccc(CN3CCSCC3)c2)ccc1C#N	ZINC000577807228	430116052	/nfs/dbraw/zinc/11/60/52/430116052.db2.gz	HXSGHTOCAJUFMG-UHFFFAOYSA-N	0	3	324.453	3.554	20	30		DFEDHN
C[C@H](NC[C@H](O)CN(C)CCC#N)c1cc2ccccc2s1	ZINC000577948211	430117668	/nfs/dbraw/zinc/11/76/68/430117668.db2.gz	REBORFGCZRMMAE-ZFWWWQNUSA-N	0	3	317.458	2.758	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc3oc(C)nc32)CC1	ZINC000640249080	430127708	/nfs/dbraw/zinc/12/77/08/430127708.db2.gz	PRDKDXRZCGGRJJ-UHFFFAOYSA-N	0	3	314.389	2.908	20	30		DFEDHN
CCN(CCC#N)C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000530943772	430128721	/nfs/dbraw/zinc/12/87/21/430128721.db2.gz	CSDWWTWDBMNCIO-UHFFFAOYSA-N	0	3	304.394	2.524	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1	ZINC000580070103	430128836	/nfs/dbraw/zinc/12/88/36/430128836.db2.gz	PJSBNBOXMZGZTR-OUCADQQQSA-N	0	3	317.355	2.506	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1	ZINC000634980592	430182164	/nfs/dbraw/zinc/18/21/64/430182164.db2.gz	HYYAUKOQGATIJO-SFHVURJKSA-N	0	3	316.445	2.516	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(CC#N)cc1)[C@@H](N)c1ccccc1	ZINC000563169162	430180377	/nfs/dbraw/zinc/18/03/77/430180377.db2.gz	GEKUOCZKBGNXNE-RDTXWAMCSA-N	0	3	307.397	2.705	20	30		DFEDHN
C=C(C)COCCNC[C@@H](O)COc1c(C)ccc(C)c1C	ZINC000564851639	430200405	/nfs/dbraw/zinc/20/04/05/430200405.db2.gz	DVPMFGYLDMBGFL-QGZVFWFLSA-N	0	3	307.434	2.534	20	30		DFEDHN
N#CCC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1	ZINC000541979904	430199381	/nfs/dbraw/zinc/19/93/81/430199381.db2.gz	PBDPSOFFYKIWCW-GOSISDBHSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCCC[C@@H]1C	ZINC000541965400	430199436	/nfs/dbraw/zinc/19/94/36/430199436.db2.gz	UIDAVPHDLHLDAP-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#CC1CCC(CNCCS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000564864904	430200276	/nfs/dbraw/zinc/20/02/76/430200276.db2.gz	SKJQOKMECPJFQV-UHFFFAOYSA-N	0	3	324.421	2.519	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000565698617	430223328	/nfs/dbraw/zinc/22/33/28/430223328.db2.gz	JBBGDWHNLFEWPK-HNAYVOBHSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1ncon1	ZINC000565667676	430223718	/nfs/dbraw/zinc/22/37/18/430223718.db2.gz	VGCQHJLFBAOJQR-HUUCEWRRSA-N	0	3	310.357	2.506	20	30		DFEDHN
COC[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000542526473	430216176	/nfs/dbraw/zinc/21/61/76/430216176.db2.gz	QHJPMGUWGKHIEE-IAQYHMDHSA-N	0	3	323.824	2.799	20	30		DFEDHN
C[C@@H](NCC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1	ZINC000543468076	430248976	/nfs/dbraw/zinc/24/89/76/430248976.db2.gz	ICZZONDJAUKVHL-JKSUJKDBSA-N	0	3	321.424	2.956	20	30		DFEDHN
C[C@@H](NCC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1	ZINC000543468073	430249573	/nfs/dbraw/zinc/24/95/73/430249573.db2.gz	ICZZONDJAUKVHL-HZPDHXFCSA-N	0	3	321.424	2.956	20	30		DFEDHN
COc1cc(CNCc2ccc(CC#N)cc2)cc(OC)c1O	ZINC000566248116	430250060	/nfs/dbraw/zinc/25/00/60/430250060.db2.gz	NBXXOFRUHIQYFP-UHFFFAOYSA-N	0	3	312.369	2.765	20	30		DFEDHN
N#CC1CCC(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1	ZINC000566669016	430272019	/nfs/dbraw/zinc/27/20/19/430272019.db2.gz	LUORKLLEOLAQHH-QWQCLYJRSA-N	0	3	313.380	2.953	20	30		DFEDHN
N#CCCn1cc(CN2C[C@H]3CCC[C@@H]32)c(-c2ccncc2)n1	ZINC000567060500	430276553	/nfs/dbraw/zinc/27/65/53/430276553.db2.gz	BZDDSPABSFZPAR-WBVHZDCISA-N	0	3	307.401	2.843	20	30		DFEDHN
CCC(C)(C)c1ccc(CNC[C@H](O)CN(C)CCC#N)cc1	ZINC000567464548	430283937	/nfs/dbraw/zinc/28/39/37/430283937.db2.gz	XWTABBGXMPUXOV-SFHVURJKSA-N	0	3	317.477	2.670	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)n1	ZINC000581606441	430225409	/nfs/dbraw/zinc/22/54/09/430225409.db2.gz	LXEGDGUGPDTYKA-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
C=C(C)COCCNC[C@@H](O)COc1ccc2ccccc2c1	ZINC000567687351	430286280	/nfs/dbraw/zinc/28/62/80/430286280.db2.gz	AXERCSPVUUOCMH-GOSISDBHSA-N	0	3	315.413	2.762	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCCC[C@@H]1C	ZINC000567745693	430287527	/nfs/dbraw/zinc/28/75/27/430287527.db2.gz	IQXAYAIQTGHHLE-JKSUJKDBSA-N	0	3	320.481	2.975	20	30		DFEDHN
CS[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1N1CCCC1	ZINC000274653622	277524946	/nfs/dbraw/zinc/52/49/46/277524946.db2.gz	HOJIJNZAOCQPRF-ZIAGYGMSSA-N	0	3	322.865	2.623	20	30		DFEDHN
C=CCCCCCNC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000568245042	430338976	/nfs/dbraw/zinc/33/89/76/430338976.db2.gz	BJZKADUNAORHQF-KRWDZBQOSA-N	0	3	301.434	2.919	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000583630498	430413297	/nfs/dbraw/zinc/41/32/97/430413297.db2.gz	FYQCYVISEXJIIR-SFHVURJKSA-N	0	3	320.396	2.957	20	30		DFEDHN
C=CCC[C@H](NC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000635717437	430357629	/nfs/dbraw/zinc/35/76/29/430357629.db2.gz	OKUXDHCKDMEETM-SQNIBIBYSA-N	0	3	314.429	2.673	20	30		DFEDHN
C=CCCC[C@H](C)n1cc(Cn2ccc(CNCC)n2)nn1	ZINC000641234545	430366687	/nfs/dbraw/zinc/36/66/87/430366687.db2.gz	SFKDEJPPHBGHDZ-AWEZNQCLSA-N	0	3	302.426	2.550	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2c(C#N)nnc3ccccc32)C[C@@H](C)C1	ZINC000568581946	430371882	/nfs/dbraw/zinc/37/18/82/430371882.db2.gz	FRKIZFWEDJTGLF-DEYYWGMASA-N	0	3	321.428	2.668	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](C)C[C@H]1CCCC(=O)N1	ZINC000638615392	430389256	/nfs/dbraw/zinc/38/92/56/430389256.db2.gz	AWPQVGBMRQYGDT-GOEBONIOSA-N	0	3	302.418	2.788	20	30		DFEDHN
Cc1c[nH]c(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000583446004	430395717	/nfs/dbraw/zinc/39/57/17/430395717.db2.gz	KCPNJSFODBJNNP-OAHLLOKOSA-N	0	3	310.401	2.842	20	30		DFEDHN
CCC(CC)[C@H](CCNCc1cnc2c(C#N)cnn2c1)OC	ZINC000583565158	430406734	/nfs/dbraw/zinc/40/67/34/430406734.db2.gz	TUHJIYOXVDIVPW-INIZCTEOSA-N	0	3	315.421	2.532	20	30		DFEDHN
CC1=C(c2ccco2)CN(C[C@H]2CNc3c(C#N)cnn3C2)CC1	ZINC000569245534	430435906	/nfs/dbraw/zinc/43/59/06/430435906.db2.gz	MMVLIBKFSKUXFX-CQSZACIVSA-N	0	3	323.400	2.569	20	30		DFEDHN
N#Cc1c(C(F)F)cccc1N1CCN(C[C@@H]2CCOC2)CC1	ZINC000569514503	430460675	/nfs/dbraw/zinc/46/06/75/430460675.db2.gz	FXJAQRRSKLFJFY-ZDUSSCGKSA-N	0	3	321.371	2.654	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cnc(CCc2ccccc2)s1	ZINC000641767283	430466980	/nfs/dbraw/zinc/46/69/80/430466980.db2.gz	IFTRMWQOEMBDCM-MRXNPFEDSA-N	0	3	314.454	2.792	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1	ZINC000641766772	430467068	/nfs/dbraw/zinc/46/70/68/430467068.db2.gz	BQRFTDXXZVMJKG-INIZCTEOSA-N	0	3	314.360	2.877	20	30		DFEDHN
C[C@H](c1ccccc1F)N(C)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000584232762	430470799	/nfs/dbraw/zinc/47/07/99/430470799.db2.gz	VLWHTCSZUMZKCS-CHWSQXEVSA-N	0	3	313.380	2.629	20	30		DFEDHN
CC(C)(CNc1ccncc1C#N)N1CCc2ccccc2C1	ZINC000548481332	430478888	/nfs/dbraw/zinc/47/88/88/430478888.db2.gz	XJOOYOVZBMKZHG-UHFFFAOYSA-N	0	3	306.413	2.624	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C2CC2)C1	ZINC000548612262	430484726	/nfs/dbraw/zinc/48/47/26/430484726.db2.gz	HSDRMKAJFSFQSE-CQSZACIVSA-N	0	3	303.793	2.520	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)n1	ZINC000596086856	430507604	/nfs/dbraw/zinc/50/76/04/430507604.db2.gz	BZYKMBUNDVGYKD-GDBMZVCRSA-N	0	3	321.428	3.158	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccccn2)cc1	ZINC000570140342	430516655	/nfs/dbraw/zinc/51/66/55/430516655.db2.gz	NCZPFJHKWOKENN-APWZRJJASA-N	0	3	323.396	2.530	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(OC)c(Cn2cccn2)c1	ZINC000639098402	430522231	/nfs/dbraw/zinc/52/22/31/430522231.db2.gz	AOZMKFJIBVBTNZ-UHFFFAOYSA-N	0	3	315.417	2.574	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599256984	430528797	/nfs/dbraw/zinc/52/87/97/430528797.db2.gz	CSZOEAOKDMPDFJ-KGLIPLIRSA-N	0	3	320.458	2.739	20	30		DFEDHN
C=CC[C@H]1N(Cc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C	ZINC000639124704	430534428	/nfs/dbraw/zinc/53/44/28/430534428.db2.gz	LGYXDROSARDGKW-MRXNPFEDSA-N	0	3	322.474	2.901	20	30		DFEDHN
C[C@H](Nc1cc(C#N)nc(C2CC2)n1)[C@H](c1ccccc1)N(C)C	ZINC000601156339	430537918	/nfs/dbraw/zinc/53/79/18/430537918.db2.gz	PIMAKUHUTTUEQY-SCLBCKFNSA-N	0	3	321.428	3.329	20	30		DFEDHN
C=CCOCCCNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000639314515	430606662	/nfs/dbraw/zinc/60/66/62/430606662.db2.gz	CZNCLGHAYFSDMB-UHFFFAOYSA-N	0	3	317.355	2.921	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000554487859	430637975	/nfs/dbraw/zinc/63/79/75/430637975.db2.gz	VYAGLSCAFJRFAH-HOTGVXAUSA-N	0	3	316.474	2.993	20	30		DFEDHN
CC[C@@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000554487853	430638308	/nfs/dbraw/zinc/63/83/08/430638308.db2.gz	VOPAWLHUJQFEAT-APWZRJJASA-N	0	3	310.445	2.856	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)[C@@H]1CNCCC1(F)F	ZINC000643978535	430646597	/nfs/dbraw/zinc/64/65/97/430646597.db2.gz	AEOFXYLATSCILI-AWEZNQCLSA-N	0	3	300.393	2.826	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CNCCC1(F)F	ZINC000643989338	430648625	/nfs/dbraw/zinc/64/86/25/430648625.db2.gz	NDDGCMQWYWGYDA-ZDUSSCGKSA-N	0	3	312.335	2.585	20	30		DFEDHN
C=C(C)Cn1c(N2CC[C@H](N3CCCC3)C2)nnc1C(C)(C)C	ZINC000555258524	430663153	/nfs/dbraw/zinc/66/31/53/430663153.db2.gz	MZTILFJFTVSWIP-HNNXBMFYSA-N	0	3	317.481	2.826	20	30		DFEDHN
Cc1c(C#N)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc2ccccc12	ZINC000571987337	430665937	/nfs/dbraw/zinc/66/59/37/430665937.db2.gz	QWBIBHIOFLVJAY-TZMCWYRMSA-N	0	3	306.413	3.452	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(CCc2ccccc2)ccn1	ZINC000572119391	430671971	/nfs/dbraw/zinc/67/19/71/430671971.db2.gz	RVOZONSCDXWEMK-KRWDZBQOSA-N	0	3	322.412	2.826	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(Cl)ccc1Br	ZINC000572162714	430674484	/nfs/dbraw/zinc/67/44/84/430674484.db2.gz	GCRZHLGJANMZJT-ZETCQYMHSA-N	0	3	301.571	2.878	20	30		DFEDHN
CN(CCNC(=O)[C@@]1(C#N)CC12CCCC2)Cc1ccccc1	ZINC000556127995	430679036	/nfs/dbraw/zinc/67/90/36/430679036.db2.gz	UPCWADZSCKEQOF-IBGZPJMESA-N	0	3	311.429	2.709	20	30		DFEDHN
Cc1csc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1C#N	ZINC000572583521	430691501	/nfs/dbraw/zinc/69/15/01/430691501.db2.gz	XXBAXYWWUYVZJE-LBPRGKRZSA-N	0	3	306.435	2.734	20	30		DFEDHN
C=CCN(C)CCN(CC)CCCn1c2ccccc2[nH]c1=O	ZINC000572727379	430696181	/nfs/dbraw/zinc/69/61/81/430696181.db2.gz	JEHWXEVYJDDRHQ-UHFFFAOYSA-N	0	3	316.449	2.572	20	30		DFEDHN
C[C@@H](NCC1CCN(c2ccccc2C#N)CC1)c1nccn1C	ZINC000362255053	278341708	/nfs/dbraw/zinc/34/17/08/278341708.db2.gz	JJKHIAKPTOYXCC-OAHLLOKOSA-N	0	3	323.444	2.859	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2	ZINC000572954544	430698561	/nfs/dbraw/zinc/69/85/61/430698561.db2.gz	NLDCINCYPJDGMC-GOSISDBHSA-N	0	3	312.417	2.816	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1COC(C)(C)C1)C(C)C	ZINC000661423837	430710264	/nfs/dbraw/zinc/71/02/64/430710264.db2.gz	NPVJMTCPLLMOHD-CVEARBPZSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1OC	ZINC000657703004	430712039	/nfs/dbraw/zinc/71/20/39/430712039.db2.gz	KHRYZAWTADHSRU-DLBZAZTESA-N	0	3	303.402	2.653	20	30		DFEDHN
C=CCc1cc(CNCCc2cncc(C)n2)cc(OC)c1O	ZINC000657711403	430715664	/nfs/dbraw/zinc/71/56/64/430715664.db2.gz	BYGVTBGWTPIIPZ-UHFFFAOYSA-N	0	3	313.401	2.560	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@H]1CCCN(CC)[C@@H]1c1cnn(C)c1	ZINC000661521273	430747647	/nfs/dbraw/zinc/74/76/47/430747647.db2.gz	CSYDFKONEITEIF-SCTDSRPQSA-N	0	3	316.493	2.927	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN[C@H]1CSC1(C)C	ZINC000644641880	430778711	/nfs/dbraw/zinc/77/87/11/430778711.db2.gz	RRYUXWVNHZGPRV-HOCLYGCPSA-N	0	3	307.459	2.638	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000651541043	430818090	/nfs/dbraw/zinc/81/80/90/430818090.db2.gz	WMJSZILFKQWMGZ-OWCLPIDISA-N	0	3	317.481	2.583	20	30		DFEDHN
C=CCN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)(C)C	ZINC000661757934	430831126	/nfs/dbraw/zinc/83/11/26/430831126.db2.gz	MHACAKXEDQMBSZ-UHFFFAOYSA-N	0	3	322.474	2.914	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659043700	430948934	/nfs/dbraw/zinc/94/89/34/430948934.db2.gz	PWHZGPAHQKZJRD-SJORKVTESA-N	0	3	315.417	2.920	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(C3(O)CC3)CC2)cc1OC	ZINC000651878843	430901373	/nfs/dbraw/zinc/90/13/73/430901373.db2.gz	FCCSGFFLRRFEFD-UHFFFAOYSA-N	0	3	317.429	2.997	20	30		DFEDHN
C=CCc1cc(CN2CCC(C3(O)CC3)CC2)cc(OC)c1O	ZINC000651878240	430902064	/nfs/dbraw/zinc/90/20/64/430902064.db2.gz	CUFCISDNWPZJQY-UHFFFAOYSA-N	0	3	317.429	2.866	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(Cn3cnnc3)CC2)c1	ZINC000651955171	430922520	/nfs/dbraw/zinc/92/25/20/430922520.db2.gz	BATKCBAYULUJRJ-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cnc2c(c1)CNCC2	ZINC000659019932	430941230	/nfs/dbraw/zinc/94/12/30/430941230.db2.gz	ITGWFGRIAHBEOX-GUYCJALGSA-N	0	3	314.433	2.984	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1	ZINC000659281446	431008881	/nfs/dbraw/zinc/00/88/81/431008881.db2.gz	SIWUHQOSJBUXQC-UHFFFAOYSA-N	0	3	300.402	2.529	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(COC)c1	ZINC000662085598	430954801	/nfs/dbraw/zinc/95/48/01/430954801.db2.gz	HZHAMOCJKJCSRK-HDICACEKSA-N	0	3	314.429	2.632	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN(C(C)(C)CC)CC1	ZINC000655616913	431065704	/nfs/dbraw/zinc/06/57/04/431065704.db2.gz	GPVRKPQKHJPNDG-UHFFFAOYSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000649329702	431068503	/nfs/dbraw/zinc/06/85/03/431068503.db2.gz	AGKRSWYNBUAQHV-JQWIXIFHSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(CCC)C1	ZINC000666923226	431406577	/nfs/dbraw/zinc/40/65/77/431406577.db2.gz	GXLSBILWUDBISW-OAHLLOKOSA-N	0	3	305.422	2.504	20	30		DFEDHN
C=CCCn1cc(CN2CCN(CC3CCCCC3)CC2)nn1	ZINC000653510020	431412109	/nfs/dbraw/zinc/41/21/09/431412109.db2.gz	IDDLDJJHISHXJI-UHFFFAOYSA-N	0	3	317.481	2.552	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)[C@@]1(O)CCOC1	ZINC000647246144	431524239	/nfs/dbraw/zinc/52/42/39/431524239.db2.gz	YHAPGCRGBRXDQN-GOSISDBHSA-N	0	3	305.418	2.519	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C(C)C)C2(CO)CCCC2)nn1	ZINC000653756083	431512886	/nfs/dbraw/zinc/51/28/86/431512886.db2.gz	VGHQONPLMSRBIU-INIZCTEOSA-N	0	3	306.454	2.521	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2ccccn2)CC1	ZINC000664015806	431629418	/nfs/dbraw/zinc/62/94/18/431629418.db2.gz	JXYDZMKZOKVBFI-OAHLLOKOSA-N	0	3	316.449	2.525	20	30		DFEDHN
C=CCCOCC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000650918091	431745682	/nfs/dbraw/zinc/74/56/82/431745682.db2.gz	KUURMORMXPEUSX-UHFFFAOYSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCCn1cc(CN[C@@H]2CCc3cc(OC)ccc3C2)nn1	ZINC000657432276	431746924	/nfs/dbraw/zinc/74/69/24/431746924.db2.gz	QOMBQMKCSADRSA-MRXNPFEDSA-N	0	3	312.417	2.510	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCC#Cc2cccc(Cl)c2)C1	ZINC000661214745	431781532	/nfs/dbraw/zinc/78/15/32/431781532.db2.gz	AAJZTQCZOWCECN-CGTJXYLNSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCCn1cc(CNCCc2ccnc3ccccc23)nn1	ZINC000657589661	431819659	/nfs/dbraw/zinc/81/96/59/431819659.db2.gz	DBCQUJDJGSEIME-UHFFFAOYSA-N	0	3	307.401	2.735	20	30		DFEDHN
C=CCC1(NCc2c(C(C)C)nn(C)c2N(C)C)CCOCC1	ZINC000657632919	431830937	/nfs/dbraw/zinc/83/09/37/431830937.db2.gz	CACIPZXVXWQVEK-UHFFFAOYSA-N	0	3	320.481	2.824	20	30		DFEDHN
C=CCOCCCNCc1cc2c(cc1OC(F)F)OCO2	ZINC000657658119	431833987	/nfs/dbraw/zinc/83/39/87/431833987.db2.gz	NRFCBPJFDXCSLH-UHFFFAOYSA-N	0	3	315.316	2.699	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000661368814	431836201	/nfs/dbraw/zinc/83/62/01/431836201.db2.gz	MQMCTYVHRLYGAI-VVLHAWIVSA-N	0	3	303.450	2.896	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccnc(C#N)c1)N(C)C	ZINC000357869291	281360539	/nfs/dbraw/zinc/36/05/39/281360539.db2.gz	MCMWXZBLXIJEEU-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1csc(CN[C@@H]2CCN(c3ncccc3F)C2)c1	ZINC000153942928	289066565	/nfs/dbraw/zinc/06/65/65/289066565.db2.gz	RFTMSTIWPQILMD-GFCCVEGCSA-N	0	3	302.378	2.522	20	30		DFEDHN
N#Cc1csc(CN[C@H]2CCN(c3ncccc3F)C2)c1	ZINC000153942822	289066842	/nfs/dbraw/zinc/06/68/42/289066842.db2.gz	RFTMSTIWPQILMD-LBPRGKRZSA-N	0	3	302.378	2.522	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000156163746	295332007	/nfs/dbraw/zinc/33/20/07/295332007.db2.gz	NIZVRZVVUXDWCC-UHFFFAOYSA-N	0	3	317.433	2.516	20	30		DFEDHN
COC(=O)CCN(Cc1cc(C#N)ccc1OC)CC(C)C	ZINC000157183082	295345397	/nfs/dbraw/zinc/34/53/97/295345397.db2.gz	DBEFQSMJTWJMQW-UHFFFAOYSA-N	0	3	304.390	2.588	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1	ZINC000157552229	295350518	/nfs/dbraw/zinc/35/05/18/295350518.db2.gz	SYNFYEGZSFKNED-NHYWBVRUSA-N	0	3	305.809	2.624	20	30		DFEDHN
CCc1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)on1	ZINC000538394166	301320879	/nfs/dbraw/zinc/32/08/79/301320879.db2.gz	PTXJIRSUOXABFC-UHFFFAOYSA-N	0	3	324.428	2.863	20	30		DFEDHN
C[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)c(F)c1	ZINC000538508445	301322556	/nfs/dbraw/zinc/32/25/56/301322556.db2.gz	MCVDACSTLPEJHV-STQMWFEESA-N	0	3	302.349	2.792	20	30		DFEDHN
Cc1ccc([C@H](CNc2ccncc2C#N)N2CCCC2)cc1	ZINC000548152832	301569964	/nfs/dbraw/zinc/56/99/64/301569964.db2.gz	IBYRUQNKFJTKJG-IBGZPJMESA-N	0	3	306.413	2.933	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H]2CSC[C@@H]2C)c(C#N)c1C	ZINC000556831668	301814088	/nfs/dbraw/zinc/81/40/88/301814088.db2.gz	IMGKOMNAOKUQTO-UFBFGSQYSA-N	0	3	309.460	2.516	20	30		DFEDHN
Cc1cc(C#N)nc(Nc2cccc3c2OCC[C@H]3N(C)C)n1	ZINC000562867759	302009558	/nfs/dbraw/zinc/00/95/58/302009558.db2.gz	QOHAOEQPLSUREY-OAHLLOKOSA-N	0	3	309.373	2.786	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CC[C@@H](C3CCCC3)C2)c1	ZINC000562933569	302014546	/nfs/dbraw/zinc/01/45/46/302014546.db2.gz	QAAVLNZVBILULG-GOSISDBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
Cn1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000563069133	302034208	/nfs/dbraw/zinc/03/42/08/302034208.db2.gz	GKXZZAMJDWVUEW-AEFFLSMTSA-N	0	3	322.412	2.570	20	30		DFEDHN
CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000563219839	302051724	/nfs/dbraw/zinc/05/17/24/302051724.db2.gz	ZPFPRNGQQSJQNV-ABAIWWIYSA-N	0	3	323.824	2.537	20	30		DFEDHN
Cn1cncc1CCCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000563357964	302066282	/nfs/dbraw/zinc/06/62/82/302066282.db2.gz	VEEIWTGDLNSVJM-UHFFFAOYSA-N	0	3	324.428	2.768	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2ccnc(C#N)n2)CC1	ZINC000565225986	302210414	/nfs/dbraw/zinc/21/04/14/302210414.db2.gz	JUTPDMHAHNPKRO-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@@]4(CC=CCC4)C3)cnc12	ZINC000567589318	302370831	/nfs/dbraw/zinc/37/08/31/302370831.db2.gz	ACMPDGSBDPRDDE-SFHVURJKSA-N	0	3	307.401	2.923	20	30		DFEDHN
Cc1cc(OCC(=O)NCc2cccc(C#N)c2)c(C)c(C)n1	ZINC000567752218	302386660	/nfs/dbraw/zinc/38/66/60/302386660.db2.gz	BQBFIJLLEJYFSV-UHFFFAOYSA-N	0	3	309.369	2.574	20	30		DFEDHN
Cc1ccc(CC[C@@H](C)NCc2cnc3c(C#N)cnn3c2)o1	ZINC000567887271	302396698	/nfs/dbraw/zinc/39/66/98/302396698.db2.gz	GMUCNZYVONXLNL-GFCCVEGCSA-N	0	3	309.373	2.613	20	30		DFEDHN
C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1CCNC2	ZINC000568148372	302421220	/nfs/dbraw/zinc/42/12/20/302421220.db2.gz	UBEUJZORKBUDOJ-ZDUSSCGKSA-N	0	3	321.380	2.610	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)oc1C	ZINC000570629886	302583073	/nfs/dbraw/zinc/58/30/73/302583073.db2.gz	RZQVRGFRJJDRER-UHFFFAOYSA-N	0	3	313.357	2.782	20	30		DFEDHN
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000573574330	302711410	/nfs/dbraw/zinc/71/14/10/302711410.db2.gz	FQCLUAKSZORGMF-ZDUSSCGKSA-N	0	3	321.380	2.610	20	30		DFEDHN
COc1ccc(OC)c(CNCCOc2ccc(C#N)cc2)c1	ZINC000174561641	315964119	/nfs/dbraw/zinc/96/41/19/315964119.db2.gz	RHFQQYFUQHFIFV-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1c[nH]c(C#N)c1	ZINC000181277161	316055862	/nfs/dbraw/zinc/05/58/62/316055862.db2.gz	GJLYRKJLZVLAGI-UHFFFAOYSA-N	0	3	310.401	2.610	20	30		DFEDHN
C[C@H](NCCC(=O)NCc1ccccc1)c1cccc(C#N)c1	ZINC000181635036	316066065	/nfs/dbraw/zinc/06/60/65/316066065.db2.gz	ANPXPLHIWXZUEJ-HNNXBMFYSA-N	0	3	307.397	2.915	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCCC2=CCCCC2)cc1	ZINC000316971290	316247277	/nfs/dbraw/zinc/24/72/77/316247277.db2.gz	HZRAVJXCUWOHMN-UHFFFAOYSA-N	0	3	318.442	2.812	20	30		DFEDHN
CN(C)CCN(C(=O)/C=C\c1ccc(C#N)cc1)C1CCCC1	ZINC000491844241	317596477	/nfs/dbraw/zinc/59/64/77/317596477.db2.gz	KSPCGRCRVWBWHS-QXMHVHEDSA-N	0	3	311.429	2.904	20	30		DFEDHN
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000565557612	317925098	/nfs/dbraw/zinc/92/50/98/317925098.db2.gz	RRXIDTRPPAOYOC-BLLLJJGKSA-N	0	3	317.820	2.910	20	30		DFEDHN
CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000574760724	318038736	/nfs/dbraw/zinc/03/87/36/318038736.db2.gz	YOPDOCCVMQELGH-MRXNPFEDSA-N	0	3	303.362	2.593	20	30		DFEDHN
CC1(C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21	ZINC000575049407	318059557	/nfs/dbraw/zinc/05/95/57/318059557.db2.gz	AOAIUOCEFPXSCG-NUEKZKHPSA-N	0	3	315.373	2.760	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N[C@H]2CC3CCC2CC3)C1=O	ZINC000576217081	318111560	/nfs/dbraw/zinc/11/15/60/318111560.db2.gz	JEULALHDBAWSRA-FWIFWCIWSA-N	0	3	315.442	2.893	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C#N	ZINC000576802164	318150868	/nfs/dbraw/zinc/15/08/68/318150868.db2.gz	QNHNENWZSODLJE-ZWKOTPCHSA-N	0	3	314.429	2.940	20	30		DFEDHN
C[C@H]1CCN(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000577188526	318176962	/nfs/dbraw/zinc/17/69/62/318176962.db2.gz	FXSMTZMZMKLGHX-HNNXBMFYSA-N	0	3	309.413	2.516	20	30		DFEDHN
Cc1cc(CNC2CCC(Oc3ncccc3C#N)CC2)no1	ZINC000578722787	318280052	/nfs/dbraw/zinc/28/00/52/318280052.db2.gz	BAONWGZCYAVEJH-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
Cc1ccc(C[C@H](C)NCc2cnc3c(C#N)cnn3c2)s1	ZINC000578750036	318282437	/nfs/dbraw/zinc/28/24/37/318282437.db2.gz	YMGSMSBKVFHLON-NSHDSACASA-N	0	3	311.414	2.692	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@H]1NCc1ccc(C#N)cn1	ZINC000578903426	318294443	/nfs/dbraw/zinc/29/44/43/318294443.db2.gz	GUZPRKBIPSTAAU-JKSUJKDBSA-N	0	3	301.390	2.555	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000379678731	323290443	/nfs/dbraw/zinc/29/04/43/323290443.db2.gz	GUQYTMSRRGNVCV-HOCLYGCPSA-N	0	3	307.401	2.813	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNCc2cccc(Cl)c2)cc1	ZINC000385792256	323312125	/nfs/dbraw/zinc/31/21/25/323312125.db2.gz	OEVSQCLDQPQRGG-MRXNPFEDSA-N	0	3	316.788	2.741	20	30		DFEDHN
CN(CCNc1nc2c(cc1C#N)CCC2)Cc1ccccc1	ZINC000386698069	323319887	/nfs/dbraw/zinc/31/98/87/323319887.db2.gz	MCQQRHAIEXYNSU-UHFFFAOYSA-N	0	3	306.413	2.986	20	30		DFEDHN
C[C@@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)cc1Cl	ZINC000582822905	323742196	/nfs/dbraw/zinc/74/21/96/323742196.db2.gz	IJSWPRIQEAHPAD-QWHCGFSZSA-N	0	3	307.825	2.583	20	30		DFEDHN
C[C@@H](NCCN1CCO[C@H](C)C1)c1ccc(C#N)cc1Cl	ZINC000582822901	323742484	/nfs/dbraw/zinc/74/24/84/323742484.db2.gz	IJSWPRIQEAHPAD-CHWSQXEVSA-N	0	3	307.825	2.583	20	30		DFEDHN
C#CCNC(=O)CCN1CCC[C@@H](c2nc(C(C)C)cs2)C1	ZINC000292737822	335093836	/nfs/dbraw/zinc/09/38/36/335093836.db2.gz	HAAHHGPJUHSKKS-CQSZACIVSA-N	0	3	319.474	2.585	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000187231205	331506102	/nfs/dbraw/zinc/50/61/02/331506102.db2.gz	ULZAZCDBECBAKY-QAPCUYQASA-N	0	3	304.434	2.777	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000187256264	331506346	/nfs/dbraw/zinc/50/63/46/331506346.db2.gz	FYTFZTAGKBYSRR-BFYDXBDKSA-N	0	3	304.434	2.775	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(CSC)c2)CC1	ZINC000109232026	331530739	/nfs/dbraw/zinc/53/07/39/331530739.db2.gz	XTHYOAJGZBMAAX-UHFFFAOYSA-N	0	3	302.443	2.833	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cc3ccccc3s2)CC1	ZINC000299313577	331685528	/nfs/dbraw/zinc/68/55/28/331685528.db2.gz	WIUFMTVCFNGOLO-UHFFFAOYSA-N	0	3	312.438	2.863	20	30		DFEDHN
C[C@H](C[C@@H]1COCCN1)Nc1cccc(OCCCC#N)c1	ZINC000317334181	331695653	/nfs/dbraw/zinc/69/56/53/331695653.db2.gz	KXGAXFZLYQIZHP-GDBMZVCRSA-N	0	3	303.406	2.548	20	30		DFEDHN
CC(C)(CCC#N)CN1CCN(Cc2cccc(O)c2)CC1	ZINC000092789688	332130777	/nfs/dbraw/zinc/13/07/77/332130777.db2.gz	IMACFXICLPGVFK-UHFFFAOYSA-N	0	3	301.434	2.840	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000410512246	332149341	/nfs/dbraw/zinc/14/93/41/332149341.db2.gz	SXVDMANZYLSNRW-FRQCXROJSA-N	0	3	311.429	2.659	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000410512248	332149384	/nfs/dbraw/zinc/14/93/84/332149384.db2.gz	SXVDMANZYLSNRW-MDZRGWNJSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NCC1(SC)CCN(C)CC1	ZINC000357957044	332187762	/nfs/dbraw/zinc/18/77/62/332187762.db2.gz	SUKQEWVEMJBZNV-CQSZACIVSA-N	0	3	313.511	2.858	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@H](Cc1ccccc1)C1CC1	ZINC000181559245	332199646	/nfs/dbraw/zinc/19/96/46/332199646.db2.gz	WCJFHVPYKITRNM-MJGOQNOKSA-N	0	3	313.445	2.652	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCSCC(=O)OC)c([O-])c1	ZINC000105570377	332252626	/nfs/dbraw/zinc/25/26/26/332252626.db2.gz	GSWLJNYZGZAMGC-GZTJUZNOSA-N	0	3	324.446	2.564	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000448031815	332253429	/nfs/dbraw/zinc/25/34/29/332253429.db2.gz	SCMHLGPFIHSAIG-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc3c(F)cccc3c2)CC1	ZINC000292892243	335097246	/nfs/dbraw/zinc/09/72/46/335097246.db2.gz	UJGAYCSCNKKFQX-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C=CCOCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000292913098	335097725	/nfs/dbraw/zinc/09/77/25/335097725.db2.gz	XGGJCDWWNSBTPS-UHFFFAOYSA-N	0	3	321.396	2.614	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2oc(CCC)nc2C)CC1	ZINC000293107245	335100405	/nfs/dbraw/zinc/10/04/05/335100405.db2.gz	PDKZPRAYSHKEQP-UHFFFAOYSA-N	0	3	305.422	2.706	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H](O)c1cccc(OC)c1	ZINC000237334917	332342179	/nfs/dbraw/zinc/34/21/79/332342179.db2.gz	KJFGNWKDDDKPBX-GOSISDBHSA-N	0	3	311.381	2.530	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCC[S@](=O)C(C)(C)C)cc1	ZINC000116921802	332343701	/nfs/dbraw/zinc/34/37/01/332343701.db2.gz	KDBQGIDZWPZXEC-JOCHJYFZSA-N	0	3	321.490	2.673	20	30		DFEDHN
CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(OC)cc1	ZINC000124166418	332432861	/nfs/dbraw/zinc/43/28/61/332432861.db2.gz	AUJJCLIKZYZRBB-FUHWJXTLSA-N	0	3	317.433	2.790	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(Br)cc1OC	ZINC000449698602	332488374	/nfs/dbraw/zinc/48/83/74/332488374.db2.gz	ODXQWLHRGBKXPU-CYBMUJFWSA-N	0	3	314.223	2.874	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCCO[C@@H]2CCOC2)c([O-])c1	ZINC000129349400	332514513	/nfs/dbraw/zinc/51/45/13/332514513.db2.gz	LMNBANAUGUFLIR-HNMKQIAWSA-N	0	3	320.433	2.853	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1	ZINC000133629139	332590823	/nfs/dbraw/zinc/59/08/23/332590823.db2.gz	MUNWXUOCLDZYJP-ZWKOTPCHSA-N	0	3	324.428	2.568	20	30		DFEDHN
Cc1cccc(OC2CCN(CCCSCC#N)CC2)n1	ZINC000378439301	332593120	/nfs/dbraw/zinc/59/31/20/332593120.db2.gz	OHPQCJGRTNWLLZ-UHFFFAOYSA-N	0	3	305.447	2.880	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NCCOC[C@H]2CCCO2)cc1	ZINC000562593666	332607783	/nfs/dbraw/zinc/60/77/83/332607783.db2.gz	UOTZIEYNSAVUAJ-MSOLQXFVSA-N	0	3	318.417	2.825	20	30		DFEDHN
CN(CCC#N)c1ccc(CNC[C@H](O)c2ccsc2)cc1	ZINC000152542390	332702066	/nfs/dbraw/zinc/70/20/66/332702066.db2.gz	PGYMHCCVMVXRMA-KRWDZBQOSA-N	0	3	315.442	2.921	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCO3)C1	ZINC000570036373	332704775	/nfs/dbraw/zinc/70/47/75/332704775.db2.gz	OAYPJJFIBDYFDW-RISCZKNCSA-N	0	3	310.357	2.587	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(Cl)c2cccnc12	ZINC000293912679	335115863	/nfs/dbraw/zinc/11/58/63/335115863.db2.gz	GDECPKPCYORWKT-UHFFFAOYSA-N	0	3	315.804	2.573	20	30		DFEDHN
C=CCOCCN(C)[C@@H](CO)c1cccc(Br)c1	ZINC000293794041	335117248	/nfs/dbraw/zinc/11/72/48/335117248.db2.gz	MVAXNESBKTVDPW-AWEZNQCLSA-N	0	3	314.223	2.617	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C#N)CC1	ZINC000175792976	333104696	/nfs/dbraw/zinc/10/46/96/333104696.db2.gz	NUBVAYAIWUPFPA-UHFFFAOYSA-N	0	3	311.385	2.870	20	30		DFEDHN
C=CCOCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000294400049	335121874	/nfs/dbraw/zinc/12/18/74/335121874.db2.gz	CKOOTCQZHIAOKI-LBPRGKRZSA-N	0	3	303.328	2.741	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCC1	ZINC000114643796	333143767	/nfs/dbraw/zinc/14/37/67/333143767.db2.gz	DCIIBVAXTKIRGH-QGZVFWFLSA-N	0	3	311.429	2.851	20	30		DFEDHN
C=CCN(C)C[C@@](C)(O)c1ccc(Br)cc1F	ZINC000294557332	335124872	/nfs/dbraw/zinc/12/48/72/335124872.db2.gz	LGKNNPOCXSQMMZ-CYBMUJFWSA-N	0	3	302.187	2.914	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180374643	333161482	/nfs/dbraw/zinc/16/14/82/333161482.db2.gz	KFKKDILZXSCSLF-QGZVFWFLSA-N	0	3	311.429	2.846	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180416045	333161565	/nfs/dbraw/zinc/16/15/65/333161565.db2.gz	DFBHRWJCENXRHR-HNNXBMFYSA-N	0	3	311.429	2.656	20	30		DFEDHN
Oc1ccccc1/C=N/Cc1ccccc1CN1CC[C@@H](O)C1	ZINC000180422352	333161868	/nfs/dbraw/zinc/16/18/68/333161868.db2.gz	SJEIDHKOUURDJE-BAOGCXAUSA-N	0	3	310.397	2.578	20	30		DFEDHN
C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(Cl)c1	ZINC000180875991	333165718	/nfs/dbraw/zinc/16/57/18/333165718.db2.gz	JAJVHGOGTVKGFI-YZSSSTSJSA-N	0	3	319.792	2.517	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181079923	333167304	/nfs/dbraw/zinc/16/73/04/333167304.db2.gz	PUNVSWFYRJYRAO-PBHICJAKSA-N	0	3	311.429	2.654	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCC(F)(F)F)c1)c1ccccn1	ZINC000181484758	333169648	/nfs/dbraw/zinc/16/96/48/333169648.db2.gz	SILKDHHURQCBHE-NSHDSACASA-N	0	3	308.263	2.721	20	30		DFEDHN
C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC#N)cc1	ZINC000181998946	333174355	/nfs/dbraw/zinc/17/43/55/333174355.db2.gz	TXWGMZFSTWGJQX-DZGCQCFKSA-N	0	3	315.417	2.639	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C)c1C	ZINC000183715677	333187136	/nfs/dbraw/zinc/18/71/36/333187136.db2.gz	GRFDQPNZSOICDU-CJNGLKHVSA-N	0	3	301.434	2.962	20	30		DFEDHN
CCOc1ccc(NC(=O)CN[C@H]2CCC[C@H](C#N)C2)cc1	ZINC000185882317	333215603	/nfs/dbraw/zinc/21/56/03/333215603.db2.gz	SGEVFRYDEJRKDV-ZFWWWQNUSA-N	0	3	301.390	2.696	20	30		DFEDHN
CN(C)C(=O)OC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1	ZINC000497228915	333225365	/nfs/dbraw/zinc/22/53/65/333225365.db2.gz	BGGMQMXNICJUKJ-KRWDZBQOSA-N	0	3	315.417	2.805	20	30		DFEDHN
CC(C)(C)[C@@H](CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000193109465	333299125	/nfs/dbraw/zinc/29/91/25/333299125.db2.gz	QSFMKRZYVXNKTK-CQSZACIVSA-N	0	3	315.335	2.933	20	30		DFEDHN
CC(=O)c1cc(C(=O)N(CCC#N)CCCN(C)C)ccc1C	ZINC000193920158	333307867	/nfs/dbraw/zinc/30/78/67/333307867.db2.gz	IXFLSDNEUAJJNX-UHFFFAOYSA-N	0	3	315.417	2.505	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)S[C@@H](C)C1	ZINC000525785872	333311139	/nfs/dbraw/zinc/31/11/39/333311139.db2.gz	HGIOYFPTNBMOOW-HLLBOEOZSA-N	0	3	321.486	2.981	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H]2CCCN(C(C)C)C2)cc1	ZINC000295331049	335133193	/nfs/dbraw/zinc/13/31/93/335133193.db2.gz	MJGGWEUWDUNWOG-QGZVFWFLSA-N	0	3	316.445	2.783	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000111258077	333328299	/nfs/dbraw/zinc/32/82/99/333328299.db2.gz	UYUZXNCPGZXWFE-WMLDXEAASA-N	0	3	314.429	2.913	20	30		DFEDHN
COC(=O)COc1ccccc1[C@@H](C)NCC1(CC#N)CC1	ZINC000430740615	335133952	/nfs/dbraw/zinc/13/39/52/335133952.db2.gz	GTRDZOJTSGRMAC-CYBMUJFWSA-N	0	3	302.374	2.583	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000364986499	333333770	/nfs/dbraw/zinc/33/37/70/333333770.db2.gz	YULMZQKSACTSJV-IAGOWNOFSA-N	0	3	301.434	2.822	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2ccc(C)n2)CC1	ZINC000365000930	333333970	/nfs/dbraw/zinc/33/39/70/333333970.db2.gz	LRNKRWFRQAVPLY-INIZCTEOSA-N	0	3	318.465	2.642	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC(F)(F)C1)C(C)C	ZINC000540676492	333339006	/nfs/dbraw/zinc/33/90/06/333339006.db2.gz	IHQOQQHFNKFOPA-CQSZACIVSA-N	0	3	315.408	2.736	20	30		DFEDHN
C=CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1	ZINC000365179833	333356238	/nfs/dbraw/zinc/35/62/38/333356238.db2.gz	AKDSLHUBMYCHRH-NVXWUHKLSA-N	0	3	317.433	2.563	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1	ZINC000365185180	333356359	/nfs/dbraw/zinc/35/63/59/333356359.db2.gz	HUEBVEGSKZJHPN-HUUCEWRRSA-N	0	3	304.459	2.927	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cc(C3CC3)ccc2F)CC1	ZINC000295555606	335135723	/nfs/dbraw/zinc/13/57/23/335135723.db2.gz	ZDWKEQXKSCYOCV-UHFFFAOYSA-N	0	3	314.404	2.665	20	30		DFEDHN
CC#CCCN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000186295357	333372752	/nfs/dbraw/zinc/37/27/52/333372752.db2.gz	DCEOQMYPUPDGGH-OAHLLOKOSA-N	0	3	320.458	2.633	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1	ZINC000295928141	335138714	/nfs/dbraw/zinc/13/87/14/335138714.db2.gz	SGGFAAKPAMVAID-NVXWUHKLSA-N	0	3	316.445	2.735	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2CCC(F)(F)CC2)CC1	ZINC000337069392	333438193	/nfs/dbraw/zinc/43/81/93/333438193.db2.gz	MBMPYDIRGZBXLN-UHFFFAOYSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000337096927	333438423	/nfs/dbraw/zinc/43/84/23/333438423.db2.gz	RMTGMBJCKVOCDH-QGZVFWFLSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1=O	ZINC000337173792	333441065	/nfs/dbraw/zinc/44/10/65/333441065.db2.gz	GNTZUFGTLBBIFE-RYQLBKOJSA-N	0	3	314.429	2.531	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](CCCCOC)c2ccccc2)C1=O	ZINC000337262958	333444895	/nfs/dbraw/zinc/44/48/95/333444895.db2.gz	WVUQETDQJDKDRS-ROUUACIJSA-N	0	3	316.445	2.921	20	30		DFEDHN
CC(C)[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000337383116	333447993	/nfs/dbraw/zinc/44/79/93/333447993.db2.gz	DVKGMBZXIDXKPV-XJKSGUPXSA-N	0	3	305.397	2.873	20	30		DFEDHN
CN(C(=O)C#Cc1ccccc1)C1CCN(c2ccncc2)CC1	ZINC000365845942	333464114	/nfs/dbraw/zinc/46/41/14/333464114.db2.gz	WRLHCEHVTWJKKS-UHFFFAOYSA-N	0	3	319.408	2.561	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c(C)onc1CC)C(C)C	ZINC000338141429	333472146	/nfs/dbraw/zinc/47/21/46/333472146.db2.gz	BDILFKACRCWZRV-MRXNPFEDSA-N	0	3	319.449	2.974	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)C1	ZINC000339064554	333507938	/nfs/dbraw/zinc/50/79/38/333507938.db2.gz	MFFWLZTXWITHAV-IKGGRYGDSA-N	0	3	315.461	2.793	20	30		DFEDHN
C=CCOCCNC1(c2cccc(OC)c2F)CCOCC1	ZINC000339130490	333509205	/nfs/dbraw/zinc/50/92/05/333509205.db2.gz	CKHUJVLLPIPSNI-UHFFFAOYSA-N	0	3	309.381	2.632	20	30		DFEDHN
OC[C@@]1([C@H](NCC#Cc2ccccc2Cl)C2CC2)CCCO1	ZINC000339760153	333592068	/nfs/dbraw/zinc/59/20/68/333592068.db2.gz	VDJUSWHUJQYWPT-QZTJIDSGSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@H](C)c1ccccc1SC	ZINC000297116815	335149494	/nfs/dbraw/zinc/14/94/94/335149494.db2.gz	YXXZBYNSTSQZSO-CQSZACIVSA-N	0	3	319.474	2.724	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(C3CC3)n2)CC1	ZINC000297114326	335149565	/nfs/dbraw/zinc/14/95/65/335149565.db2.gz	XKDDVEPKMCWIDD-UHFFFAOYSA-N	0	3	300.406	2.731	20	30		DFEDHN
CCO[C@@H]1C[C@@H]1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000563592118	333631827	/nfs/dbraw/zinc/63/18/27/333631827.db2.gz	CDJOGSVEDROPIB-GOEBONIOSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)c(F)c1	ZINC000185834386	335154154	/nfs/dbraw/zinc/15/41/54/335154154.db2.gz	DDNQXXUODFIPIL-BBRMVZONSA-N	0	3	323.387	2.928	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)c(F)c1	ZINC000185834424	335154170	/nfs/dbraw/zinc/15/41/70/335154170.db2.gz	DDNQXXUODFIPIL-CJNGLKHVSA-N	0	3	323.387	2.928	20	30		DFEDHN
CCn1cnnc1[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343410635	335162947	/nfs/dbraw/zinc/16/29/47/335162947.db2.gz	CHLATAPCFNFTHF-QGZVFWFLSA-N	0	3	309.417	2.744	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)c2cccc(SCC#N)c2)CCCN1C	ZINC000343458703	335166028	/nfs/dbraw/zinc/16/60/28/335166028.db2.gz	RMYBOMJZSRNIIB-IUODEOHRSA-N	0	3	303.431	2.515	20	30		DFEDHN
Cc1ccc(C)n1C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1	ZINC000263653693	333947141	/nfs/dbraw/zinc/94/71/41/333947141.db2.gz	CCTKRXGKGBYQKV-INIZCTEOSA-N	0	3	316.449	2.502	20	30		DFEDHN
COc1ccc(CNC(C)(C)[C@H](C)O)cc1OCCCC#N	ZINC000270726266	334015837	/nfs/dbraw/zinc/01/58/37/334015837.db2.gz	PRLFCROEPNGWQF-ZDUSSCGKSA-N	0	3	306.406	2.627	20	30		DFEDHN
C=CCOc1cccc(CN(C[C@H]2CCC(=O)N2)C(C)C)c1	ZINC000414553807	334016419	/nfs/dbraw/zinc/01/64/19/334016419.db2.gz	GCRGDOKUGCMHLC-MRXNPFEDSA-N	0	3	302.418	2.740	20	30		DFEDHN
C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1n1ccnc1	ZINC000271283027	334020725	/nfs/dbraw/zinc/02/07/25/334020725.db2.gz	LBEFZIDDMNKOHD-MAUKXSAKSA-N	0	3	310.401	2.869	20	30		DFEDHN
C=CCOc1ccc(CN2CCSC[C@@H](C(=O)OC)C2)cc1	ZINC000414571240	334023527	/nfs/dbraw/zinc/02/35/27/334023527.db2.gz	UKUPOTACHGXXPA-HNNXBMFYSA-N	0	3	321.442	2.589	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000272003562	334029329	/nfs/dbraw/zinc/02/93/29/334029329.db2.gz	IJGQMSNSCIUSNW-UHFFFAOYSA-N	0	3	315.417	2.983	20	30		DFEDHN
C[C@H](O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000272564181	334037323	/nfs/dbraw/zinc/03/73/23/334037323.db2.gz	USQKIYCMDOZQDH-RDJZCZTQSA-N	0	3	324.428	2.666	20	30		DFEDHN
C[C@@H](O)[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000272564185	334037369	/nfs/dbraw/zinc/03/73/69/334037369.db2.gz	USQKIYCMDOZQDH-WBVHZDCISA-N	0	3	324.428	2.666	20	30		DFEDHN
CCC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000272744752	334039408	/nfs/dbraw/zinc/03/94/08/334039408.db2.gz	MRPPIVYUCKLVHW-KRWDZBQOSA-N	0	3	312.417	2.773	20	30		DFEDHN
COCCCOC1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000343518176	335174101	/nfs/dbraw/zinc/17/41/01/335174101.db2.gz	AQFDAZPRLHQSSH-UHFFFAOYSA-N	0	3	302.418	2.770	20	30		DFEDHN
C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000274671685	334064951	/nfs/dbraw/zinc/06/49/51/334064951.db2.gz	YAMDOSLPAGVNMP-GVXVVHGQSA-N	0	3	310.394	2.572	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1)C1CC1	ZINC000275682259	334072878	/nfs/dbraw/zinc/07/28/78/334072878.db2.gz	ZHAUHHHWLJHWSQ-YQVWRLOYSA-N	0	3	311.429	2.721	20	30		DFEDHN
CN(C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CC[C@@H](C#N)C1	ZINC000278502530	334097112	/nfs/dbraw/zinc/09/71/12/334097112.db2.gz	AJUKIHSXCMYDGK-BZUAXINKSA-N	0	3	319.474	2.745	20	30		DFEDHN
COC[C@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1	ZINC000279062008	334104927	/nfs/dbraw/zinc/10/49/27/334104927.db2.gz	LPRBPCOKYRRYMU-IRXDYDNUSA-N	0	3	302.418	2.771	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC(C)(C)C#N	ZINC000279070782	334105170	/nfs/dbraw/zinc/10/51/70/334105170.db2.gz	UBYLPHXGONSHLI-DOTOQJQBSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCSC2)CC1	ZINC000279161598	334106284	/nfs/dbraw/zinc/10/62/84/334106284.db2.gz	BMUSWKQHLBJDSU-DOTOQJQBSA-N	0	3	301.459	2.622	20	30		DFEDHN
COc1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1OCCCC#N	ZINC000280619471	334118673	/nfs/dbraw/zinc/11/86/73/334118673.db2.gz	ZPGUXGMQFWUAGX-QGZVFWFLSA-N	0	3	318.417	2.580	20	30		DFEDHN
C[C@H](C#N)Oc1ccccc1NC(=O)NC1(CN(C)C)CCC1	ZINC000282050883	334130812	/nfs/dbraw/zinc/13/08/12/334130812.db2.gz	VGKCMMVNCMPENM-CYBMUJFWSA-N	0	3	316.405	2.583	20	30		DFEDHN
C[C@H](CS(=O)(=O)c1ccccc1)NCC1CCC(C#N)CC1	ZINC000282411804	334134584	/nfs/dbraw/zinc/13/45/84/334134584.db2.gz	SFLSYRFCRXQTDP-QQFBHYJXSA-N	0	3	320.458	2.768	20	30		DFEDHN
C[C@@H](CS(=O)(=O)c1ccccc1)NCC1CCC(C#N)CC1	ZINC000282411798	334134592	/nfs/dbraw/zinc/13/45/92/334134592.db2.gz	SFLSYRFCRXQTDP-FHERZECASA-N	0	3	320.458	2.768	20	30		DFEDHN
N#CC1CCC(CN[C@@H](C(=O)NC2CC2)c2ccccc2)CC1	ZINC000282450299	334134944	/nfs/dbraw/zinc/13/49/44/334134944.db2.gz	OVQABJPJGLHZQM-JTTJXQCZSA-N	0	3	311.429	2.926	20	30		DFEDHN
CC1(C#N)CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000283262329	334139718	/nfs/dbraw/zinc/13/97/18/334139718.db2.gz	WDMLPEKKGQJXSN-MRXNPFEDSA-N	0	3	311.429	2.774	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)N[C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000284327029	334143134	/nfs/dbraw/zinc/14/31/34/334143134.db2.gz	KKAXDTOCZAEYAK-LESCRADOSA-N	0	3	301.434	2.970	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccncc2OC[C@@H]2CCOC2)C1	ZINC000287201144	334156725	/nfs/dbraw/zinc/15/67/25/334156725.db2.gz	DTZLSAANYYBOOW-BFYDXBDKSA-N	0	3	315.417	2.669	20	30		DFEDHN
N#CC1(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CCC1	ZINC000288584629	334161147	/nfs/dbraw/zinc/16/11/47/334161147.db2.gz	XRGPRXGNBRYZHT-IBGZPJMESA-N	0	3	323.440	2.805	20	30		DFEDHN
N#CCCCCN1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000289391974	334164755	/nfs/dbraw/zinc/16/47/55/334164755.db2.gz	RAXNOPYINPOXMI-MRXNPFEDSA-N	0	3	314.433	2.829	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H](C)OC)cc1OCCCC#N	ZINC000289577941	334166642	/nfs/dbraw/zinc/16/66/42/334166642.db2.gz	JVNYUOIPHZPZEE-CQSZACIVSA-N	0	3	306.406	2.844	20	30		DFEDHN
CO[C@@H](C)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000289799023	334168051	/nfs/dbraw/zinc/16/80/51/334168051.db2.gz	MODDVOOFUMLECH-HNNXBMFYSA-N	0	3	312.417	2.930	20	30		DFEDHN
CC[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)OC	ZINC000289797547	334168086	/nfs/dbraw/zinc/16/80/86/334168086.db2.gz	LWYYKMBLIXFBFE-QGZVFWFLSA-N	0	3	312.417	2.978	20	30		DFEDHN
Cc1nc(CCN(C)Cc2cccc(OCCCC#N)c2)no1	ZINC000353096609	334172726	/nfs/dbraw/zinc/17/27/26/334172726.db2.gz	NKCYTCXUVJKJTP-UHFFFAOYSA-N	0	3	314.389	2.735	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000290607138	334173679	/nfs/dbraw/zinc/17/36/79/334173679.db2.gz	VWSCESRVOSSESI-KRWDZBQOSA-N	0	3	319.380	2.740	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000520996705	334186369	/nfs/dbraw/zinc/18/63/69/334186369.db2.gz	PCEZYEXTCXAKHT-IAGOWNOFSA-N	0	3	321.852	2.587	20	30		DFEDHN
CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(OCC#N)cc1	ZINC000293683828	334200522	/nfs/dbraw/zinc/20/05/22/334200522.db2.gz	KMEYKWRJJQJYQS-LSDHHAIUSA-N	0	3	317.433	2.792	20	30		DFEDHN
CN(CCOCCC#N)Cc1ccc(OCC(F)(F)F)cc1	ZINC000293683270	334200534	/nfs/dbraw/zinc/20/05/34/334200534.db2.gz	VVINHRAWZGWUAB-UHFFFAOYSA-N	0	3	316.323	2.990	20	30		DFEDHN
Cc1nc2ccccc2n1C1CCN(CCOCCC#N)CC1	ZINC000293681841	334200591	/nfs/dbraw/zinc/20/05/91/334200591.db2.gz	ANLVVZHSMGFATB-UHFFFAOYSA-N	0	3	312.417	2.912	20	30		DFEDHN
CCCN(CCc1cccs1)[C@@H](C)C(=O)N(C)CCC#N	ZINC000299418062	334255216	/nfs/dbraw/zinc/25/52/16/334255216.db2.gz	UFPAPVVBWWJVRJ-AWEZNQCLSA-N	0	3	307.463	2.763	20	30		DFEDHN
Cc1nn(C)c(C)c1CNCc1ccc(N(C)CCC#N)cc1	ZINC000299704711	334257405	/nfs/dbraw/zinc/25/74/05/334257405.db2.gz	YRYNVRDCGRUXLW-UHFFFAOYSA-N	0	3	311.433	2.677	20	30		DFEDHN
C#CCCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000119749060	334285167	/nfs/dbraw/zinc/28/51/67/334285167.db2.gz	PKAZDNVSNBGPFC-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)Nc2nc3ccccc3s2)nc(C)n1	ZINC000340760841	334384805	/nfs/dbraw/zinc/38/48/05/334384805.db2.gz	NTCSVPNHXIPBHR-LLVKDONJSA-N	0	3	323.381	2.949	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(OC)ccc1OC(F)F	ZINC000341325282	334430046	/nfs/dbraw/zinc/43/00/46/334430046.db2.gz	UEQKESNHSBYPCE-LLVKDONJSA-N	0	3	301.333	2.571	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccccc1OCc1cccnc1	ZINC000341326414	334430290	/nfs/dbraw/zinc/43/02/90/334430290.db2.gz	XDHGKMGVLSCUIS-INIZCTEOSA-N	0	3	312.413	2.935	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2C[C@@H]2C(F)F)c(-c2ccncc2)n1	ZINC000342195745	334516542	/nfs/dbraw/zinc/51/65/42/334516542.db2.gz	FXXJONJDFRLAFZ-KBPBESRZSA-N	0	3	317.343	2.602	20	30		DFEDHN
CCCCNC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000342694006	334562211	/nfs/dbraw/zinc/56/22/11/334562211.db2.gz	GAJQCDPMCZINHG-UHFFFAOYSA-N	0	3	313.445	2.881	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C	ZINC000112368034	334567097	/nfs/dbraw/zinc/56/70/97/334567097.db2.gz	JPSXGJFUHKHTHW-CJNGLKHVSA-N	0	3	322.424	2.900	20	30		DFEDHN
CC(C)(C)[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1	ZINC000328914584	334768225	/nfs/dbraw/zinc/76/82/25/334768225.db2.gz	JAEBFYJBJGMJQK-ZBFHGGJFSA-N	0	3	323.481	2.711	20	30		DFEDHN
CC(C)c1cc(C(=O)NCC2(N3CCCC3)CCOCC2)no1	ZINC000328993895	334771895	/nfs/dbraw/zinc/77/18/95/334771895.db2.gz	TYIDZRMLLWTVNX-UHFFFAOYSA-N	0	3	321.421	2.748	20	30		DFEDHN
CCN1CCC(NC(=O)NCCc2cc(C)ccc2OC)CC1	ZINC000330385794	334776588	/nfs/dbraw/zinc/77/65/88/334776588.db2.gz	TZTUNDONPZFRIB-UHFFFAOYSA-N	0	3	319.449	2.534	20	30		DFEDHN
COc1cccc(C)c1NC(=O)NC[C@]1(N(C)C)CCSC1	ZINC000331327219	334854059	/nfs/dbraw/zinc/85/40/59/334854059.db2.gz	QAEZXUFLVNIFCU-MRXNPFEDSA-N	0	3	323.462	2.767	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000343627495	335182951	/nfs/dbraw/zinc/18/29/51/335182951.db2.gz	YKPRKRPKQVMCFT-QGZVFWFLSA-N	0	3	311.429	2.846	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2nccc3sccc32)CC1	ZINC000343988571	335205918	/nfs/dbraw/zinc/20/59/18/335205918.db2.gz	BNTKJOSHIBBURW-AWEZNQCLSA-N	0	3	317.458	2.745	20	30		DFEDHN
CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H]1CC=CCC1	ZINC000344070417	335215030	/nfs/dbraw/zinc/21/50/30/335215030.db2.gz	RMXBZQLAPNDAKB-MRXNPFEDSA-N	0	3	303.450	2.959	20	30		DFEDHN
C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCN(C2CCC2)C1	ZINC000344721437	335275399	/nfs/dbraw/zinc/27/53/99/335275399.db2.gz	YPSQYFLHEGIDCI-HNNXBMFYSA-N	0	3	303.450	2.793	20	30		DFEDHN
C[C@@H](C#N)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1	ZINC000344963418	335288438	/nfs/dbraw/zinc/28/84/38/335288438.db2.gz	AGMUSTMRIVGITF-AWEZNQCLSA-N	0	3	319.836	2.924	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1	ZINC000113264149	335290202	/nfs/dbraw/zinc/29/02/02/335290202.db2.gz	DREXVZHMPWPZFO-GOSISDBHSA-N	0	3	313.445	2.764	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C2CCC2)C2CCC2)CC1	ZINC000345015776	335291461	/nfs/dbraw/zinc/29/14/61/335291461.db2.gz	HLARJGSGZOJTEV-UHFFFAOYSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN(C(=O)[C@H](N)CC(F)F)c1nc2c(s1)CCCC2	ZINC000345705266	335348889	/nfs/dbraw/zinc/34/88/89/335348889.db2.gz	FRUJPUFUJPODAO-SECBINFHSA-N	0	3	315.389	2.523	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000345814491	335353027	/nfs/dbraw/zinc/35/30/27/335353027.db2.gz	JNAHUBMMCPLLMV-OAHLLOKOSA-N	0	3	324.428	2.721	20	30		DFEDHN
C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N(C)C	ZINC000345855381	335355737	/nfs/dbraw/zinc/35/57/37/335355737.db2.gz	ZXMZMWUOMJUTBC-CQSZACIVSA-N	0	3	312.417	2.625	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2[C@H](c3ccccc3)C2(F)F)CC1	ZINC000345920454	335365484	/nfs/dbraw/zinc/36/54/84/335365484.db2.gz	CKHVHJBIUGNTPC-JKSUJKDBSA-N	0	3	320.383	2.802	20	30		DFEDHN
CC(C#N)C(=O)NC1(Cc2ccccc2Br)CC1	ZINC000346237683	335387329	/nfs/dbraw/zinc/38/73/29/335387329.db2.gz	RUHJQRQYZWAOAN-SNVBAGLBSA-N	0	3	307.191	2.800	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000346262533	335395959	/nfs/dbraw/zinc/39/59/59/335395959.db2.gz	ORZCNYHYNAGWKF-STQMWFEESA-N	0	3	305.809	2.705	20	30		DFEDHN
CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1	ZINC000347002825	335458626	/nfs/dbraw/zinc/45/86/26/335458626.db2.gz	DKWYMGVGHIMNLA-CQSZACIVSA-N	0	3	305.809	2.943	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)cc1	ZINC000366986336	335482189	/nfs/dbraw/zinc/48/21/89/335482189.db2.gz	HLDCSBSBBZAVLT-SFHVURJKSA-N	0	3	311.429	2.843	20	30		DFEDHN
CCC[C@H](NCCCSCC#N)c1nnc2ccccn21	ZINC000347634697	335512063	/nfs/dbraw/zinc/51/20/63/335512063.db2.gz	JSRMORDOSGALPJ-ZDUSSCGKSA-N	0	3	303.435	2.807	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)c2ccccc2C)CC1	ZINC000348050250	335548436	/nfs/dbraw/zinc/54/84/36/335548436.db2.gz	LWICNFZTUJAHBA-UHFFFAOYSA-N	0	3	316.445	2.782	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@]1(CO)C[C@@H](C)CC(C)(C)C1	ZINC000348485345	335590318	/nfs/dbraw/zinc/59/03/18/335590318.db2.gz	QQYWIWCOQZHNNB-MAUKXSAKSA-N	0	3	310.482	2.578	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)NCC(C)(C)CCC#N)c1	ZINC000350747006	335779354	/nfs/dbraw/zinc/77/93/54/335779354.db2.gz	IXDUOYPVUVSOFJ-UHFFFAOYSA-N	0	3	316.449	2.877	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cc(C)ccc2C)CC1	ZINC000106037935	335792928	/nfs/dbraw/zinc/79/29/28/335792928.db2.gz	JIHNZEDUDBKWAF-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1	ZINC000108710249	335843827	/nfs/dbraw/zinc/84/38/27/335843827.db2.gz	UBESFQKXPDHOCM-UHFFFAOYSA-N	0	3	321.218	2.733	20	30		DFEDHN
CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C1	ZINC000329604112	336003638	/nfs/dbraw/zinc/00/36/38/336003638.db2.gz	LPXRLZPMZNLDQQ-RWMBFGLXSA-N	0	3	322.478	2.835	20	30		DFEDHN
CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)C1	ZINC000329604112	336003639	/nfs/dbraw/zinc/00/36/39/336003639.db2.gz	LPXRLZPMZNLDQQ-RWMBFGLXSA-N	0	3	322.478	2.835	20	30		DFEDHN
Cc1cccc2c1CN(C([O-])=[NH+][C@H]1CCc3nc[nH]c3C1)CC2	ZINC000329618987	336011102	/nfs/dbraw/zinc/01/11/02/336011102.db2.gz	QSMZGMFDINMYRN-AWEZNQCLSA-N	0	3	310.401	2.548	20	30		DFEDHN
Cc1cccc2c1CN(C([O-])=[NH+][C@H]1CCc3[nH]cnc3C1)CC2	ZINC000329618987	336011103	/nfs/dbraw/zinc/01/11/03/336011103.db2.gz	QSMZGMFDINMYRN-AWEZNQCLSA-N	0	3	310.401	2.548	20	30		DFEDHN
CSC[C@H]1CCCN1CC#CCN1CCC[C@@H]1CSC	ZINC000351226025	336025548	/nfs/dbraw/zinc/02/55/48/336025548.db2.gz	MCFXVWRNMGRRPO-HZPDHXFCSA-N	0	3	312.548	2.645	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000329670173	336036762	/nfs/dbraw/zinc/03/67/62/336036762.db2.gz	STZOWPGETNHLON-SHXIOTAHSA-N	0	3	308.466	2.859	20	30		DFEDHN
Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)C2=CCN(C)CC2)on1	ZINC000329704625	336061136	/nfs/dbraw/zinc/06/11/36/336061136.db2.gz	JNVMSFFWOLJTEC-HIFRSBDPSA-N	0	3	318.421	2.684	20	30		DFEDHN
C=C(C)CCN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000351759237	336065692	/nfs/dbraw/zinc/06/56/92/336065692.db2.gz	RFVXLNGPHLXVEW-QGZVFWFLSA-N	0	3	318.417	2.707	20	30		DFEDHN
CN(CCNC(=O)NCC(C)(C)CCC#N)Cc1ccccc1	ZINC000351827406	336070944	/nfs/dbraw/zinc/07/09/44/336070944.db2.gz	NIIKDJOAPYOWQT-UHFFFAOYSA-N	0	3	316.449	2.748	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3nc[nH]c3C1)C2	ZINC000329732450	336075238	/nfs/dbraw/zinc/07/52/38/336075238.db2.gz	QDVIKRYJJREDAE-OAHLLOKOSA-N	0	3	310.401	2.548	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH]cnc3C1)C2	ZINC000329732450	336075239	/nfs/dbraw/zinc/07/52/39/336075239.db2.gz	QDVIKRYJJREDAE-OAHLLOKOSA-N	0	3	310.401	2.548	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1	ZINC000520755371	336080040	/nfs/dbraw/zinc/08/00/40/336080040.db2.gz	YHFMJFVXIIZURZ-KGLIPLIRSA-N	0	3	319.792	2.866	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCOc3ccccc32)CCN1C	ZINC000329787926	336081801	/nfs/dbraw/zinc/08/18/01/336081801.db2.gz	ZELZJBSZEIRASS-QLFBSQMISA-N	0	3	317.433	2.539	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc2c1OCO2	ZINC000329856514	336089687	/nfs/dbraw/zinc/08/96/87/336089687.db2.gz	UWLHBNKMRXHWOR-GFCCVEGCSA-N	0	3	319.405	2.623	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1	ZINC000329907793	336094271	/nfs/dbraw/zinc/09/42/71/336094271.db2.gz	LDKMARQGYPQYHO-ILXRZTDVSA-N	0	3	304.438	2.870	20	30		DFEDHN
C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2nccn2C1)C1CCCCC1	ZINC000329924641	336095947	/nfs/dbraw/zinc/09/59/47/336095947.db2.gz	VBJWAEHCGPABFY-KBPBESRZSA-N	0	3	304.438	2.918	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2coc(C3CCOCC3)n2)C1	ZINC000329944752	336098029	/nfs/dbraw/zinc/09/80/29/336098029.db2.gz	FJRALPNQHAOVJD-ZDUSSCGKSA-N	0	3	321.421	2.605	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000329969145	336101033	/nfs/dbraw/zinc/10/10/33/336101033.db2.gz	WKVNEIXUALMBSE-YHUYYLMFSA-N	0	3	316.449	2.918	20	30		DFEDHN
COC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCC(C)CC1	ZINC000329976997	336101804	/nfs/dbraw/zinc/10/18/04/336101804.db2.gz	ZFONDJVKNKVKSV-DYDBFVOFSA-N	0	3	323.481	2.568	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C12CCOCC2	ZINC000329999681	336104373	/nfs/dbraw/zinc/10/43/73/336104373.db2.gz	VDALBFFGWIMFLG-XUWVNRHRSA-N	0	3	324.465	2.790	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)Cc1ccc2n[nH]cc2c1	ZINC000330008808	336105506	/nfs/dbraw/zinc/10/55/06/336105506.db2.gz	FSOKKQGYEJFDOK-HNNXBMFYSA-N	0	3	300.406	2.936	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000330011625	336105841	/nfs/dbraw/zinc/10/58/41/336105841.db2.gz	JFVIVVIATCDLHN-NSHDSACASA-N	0	3	303.406	2.891	20	30		DFEDHN
CC(C(=O)N[C@H]1CCCC1(C)C)S(=O)(=O)C1CCOCC1	ZINC000330066995	336111050	/nfs/dbraw/zinc/11/10/50/336111050.db2.gz	FFCMWFCCBXKNBA-YPMHNXCESA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCN1C	ZINC000330106022	336113879	/nfs/dbraw/zinc/11/38/79/336113879.db2.gz	KGSXNFOELMZUBF-DMRZNYOFSA-N	0	3	303.406	2.598	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000330139570	336117102	/nfs/dbraw/zinc/11/71/02/336117102.db2.gz	OXIPZDXPIYUUQT-QPSCCSFWSA-N	0	3	319.453	2.908	20	30		DFEDHN
Cc1noc(C)c1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000330139565	336117254	/nfs/dbraw/zinc/11/72/54/336117254.db2.gz	WJMWITOJFZTBQY-UHFFFAOYSA-N	0	3	306.410	2.787	20	30		DFEDHN
Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)o1	ZINC000330162547	336119640	/nfs/dbraw/zinc/11/96/40/336119640.db2.gz	UPJLILZCSOYXBU-WCQYABFASA-N	0	3	314.389	2.832	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)NCc3cccc4cc[nH]c43)C2)C1	ZINC000330205265	336124185	/nfs/dbraw/zinc/12/41/85/336124185.db2.gz	DHDKFISMMXITDW-SFHVURJKSA-N	0	3	312.417	2.610	20	30		DFEDHN
C[C@H](C(=O)N[C@H]1CCOC2(CCOCC2)C1)N1[C@H](C)CC[C@@H]1C	ZINC000330219275	336125941	/nfs/dbraw/zinc/12/59/41/336125941.db2.gz	KAFWLYLHRXUOHN-QXSJWSMHSA-N	0	3	324.465	2.932	20	30		DFEDHN
Cn1ncc2c1CCC[C@H]2NC(=O)C1CCN(C2CC2)CC1	ZINC000330259153	336130629	/nfs/dbraw/zinc/13/06/29/336130629.db2.gz	NELMPMZYLYYSPL-OAHLLOKOSA-N	0	3	302.422	2.628	20	30		DFEDHN
C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)NC(=O)NC1CCCCC1	ZINC000330273702	336132465	/nfs/dbraw/zinc/13/24/65/336132465.db2.gz	ZPGZHBAYGNFMHC-HWWQOWPSSA-N	0	3	311.426	2.735	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	ZINC000331705277	336145065	/nfs/dbraw/zinc/14/50/65/336145065.db2.gz	AQLQVEGDJPTPMF-LJQANCHMSA-N	0	3	323.444	2.873	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCC[C@H](C#N)C2)cn1	ZINC000331858154	336150778	/nfs/dbraw/zinc/15/07/78/336150778.db2.gz	AVZBCGCDLPBXHY-QSPRXWTASA-N	0	3	302.422	2.795	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N[C@](C)(C#N)C2CC2)CCCC1(C)C	ZINC000331899201	336152272	/nfs/dbraw/zinc/15/22/72/336152272.db2.gz	SAWKNNXBJOIOEY-CRAIPNDOSA-N	0	3	303.450	2.862	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1CCCCCC1	ZINC000331983696	336154919	/nfs/dbraw/zinc/15/49/19/336154919.db2.gz	LNNZMOBIVMGXKE-BBRMVZONSA-N	0	3	303.381	2.771	20	30		DFEDHN
N#Cc1cnc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1	ZINC000330358550	336177181	/nfs/dbraw/zinc/17/71/81/336177181.db2.gz	VAEKVGATVFPWDR-GFCCVEGCSA-N	0	3	318.808	2.928	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(F)c(C(C)=O)c2)CC1	ZINC000352107888	336195239	/nfs/dbraw/zinc/19/52/39/336195239.db2.gz	ZGFLZYBVFIZBKH-UHFFFAOYSA-N	0	3	319.380	2.800	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333214983	336199903	/nfs/dbraw/zinc/19/99/03/336199903.db2.gz	QMBAIMJTJXVSDH-IIDMSEBBSA-N	0	3	303.450	2.697	20	30		DFEDHN
COC[C@@H](C)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000526991776	336278044	/nfs/dbraw/zinc/27/80/44/336278044.db2.gz	IFMDMPVOIUJTRU-YOEHRIQHSA-N	0	3	321.852	2.805	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H](c2ccccc2)C[C@H]1C	ZINC000527047459	336280989	/nfs/dbraw/zinc/28/09/89/336280989.db2.gz	KPBKQMHEYAQSHC-VYDXJSESSA-N	0	3	311.429	2.815	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000418004073	336309473	/nfs/dbraw/zinc/30/94/73/336309473.db2.gz	BZPPCGXHNXXTGY-BZSNNMDCSA-N	0	3	322.412	2.831	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1Oc1cc(F)cc(F)c1	ZINC000353547900	336424279	/nfs/dbraw/zinc/42/42/79/336424279.db2.gz	FOVTZNRSZGYCNW-IUIKQTSFSA-N	0	3	324.371	2.545	20	30		DFEDHN
C=CCOc1ccc(CNCCc2ccn(C)n2)cc1Cl	ZINC000354633930	336477081	/nfs/dbraw/zinc/47/70/81/336477081.db2.gz	FYXIHZJXQAOGQK-UHFFFAOYSA-N	0	3	305.809	2.971	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C)C1)C(C)C	ZINC000354665407	336478155	/nfs/dbraw/zinc/47/81/55/336478155.db2.gz	QRXDVSAPUOPBKY-GVDBMIGSSA-N	0	3	323.481	2.552	20	30		DFEDHN
CCn1ncnc1CNC1CCC(C#N)(c2ccccc2)CC1	ZINC000355606956	336516140	/nfs/dbraw/zinc/51/61/40/336516140.db2.gz	LRXRQZPXOFGXFQ-UHFFFAOYSA-N	0	3	309.417	2.792	20	30		DFEDHN
C=CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)C1CC1	ZINC000357943065	336603969	/nfs/dbraw/zinc/60/39/69/336603969.db2.gz	CCWHYSNVHSNNEW-UHFFFAOYSA-N	0	3	313.445	2.619	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)cc2)CC1	ZINC000358148539	336613251	/nfs/dbraw/zinc/61/32/51/336613251.db2.gz	GBKXCBKQEQIPFH-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCC[C@H](NCCS(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000358307309	336623016	/nfs/dbraw/zinc/62/30/16/336623016.db2.gz	WRIRZJCHBUWKDB-INIZCTEOSA-N	0	3	311.422	2.934	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@@H](CC)N(CC)CC)cc1	ZINC000359102979	336657831	/nfs/dbraw/zinc/65/78/31/336657831.db2.gz	LUXFXIZMNPNQHO-QGZVFWFLSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=CCN(CC=C)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000360857670	336724607	/nfs/dbraw/zinc/72/46/07/336724607.db2.gz	ICKDTJUKTYZTCM-UHFFFAOYSA-N	0	3	303.406	2.833	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000361462988	336757561	/nfs/dbraw/zinc/75/75/61/336757561.db2.gz	DJKAYICKDLGJCN-MOPGFXCFSA-N	0	3	313.445	2.691	20	30		DFEDHN
C=CC1CCN(CCN2c3ccccc3O[C@H](C)C2=O)CC1	ZINC000361993891	336781408	/nfs/dbraw/zinc/78/14/08/336781408.db2.gz	ZZFYNQMOTJEARJ-CQSZACIVSA-N	0	3	300.402	2.699	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@H](N2CCCC2)C1	ZINC000363027559	336817791	/nfs/dbraw/zinc/81/77/91/336817791.db2.gz	DFZGRYHGMHSOJO-MRXNPFEDSA-N	0	3	314.429	2.952	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1	ZINC000369325853	336862524	/nfs/dbraw/zinc/86/25/24/336862524.db2.gz	AQPFAGWDDGRJED-QTUASDBPSA-N	0	3	323.440	2.815	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369821121	336872466	/nfs/dbraw/zinc/87/24/66/336872466.db2.gz	DYZMLFWSDVFFEF-RRQGHBQHSA-N	0	3	301.434	2.868	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@H]2CCc3nccn3C2)cc1	ZINC000373027553	336946181	/nfs/dbraw/zinc/94/61/81/336946181.db2.gz	FPOITBLAMNLCGD-DOTOQJQBSA-N	0	3	310.401	2.841	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@@H]1/C=C/c1cccs1	ZINC000375185333	337005477	/nfs/dbraw/zinc/00/54/77/337005477.db2.gz	XZYKMKKKTVCLHR-MVGZEHJDSA-N	0	3	317.458	2.988	20	30		DFEDHN
COC(=O)[C@H]1CN(CCCCC#N)C[C@@H]1c1ccc(F)cc1F	ZINC000375198512	337005679	/nfs/dbraw/zinc/00/56/79/337005679.db2.gz	WXLPNPRISZUGFV-CABCVRRESA-N	0	3	322.355	2.847	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@H](Cc3ccc(F)c(F)c3)C2)C1=O	ZINC000375612068	337014547	/nfs/dbraw/zinc/01/45/47/337014547.db2.gz	IORGPWNLAZSRGM-RHSMWYFYSA-N	0	3	320.383	2.616	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000375705531	337017334	/nfs/dbraw/zinc/01/73/34/337017334.db2.gz	PJIQEDGWMJNVHY-OAHLLOKOSA-N	0	3	324.465	2.789	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@H]2CCc3n[nH]cc3C2)cc1	ZINC000375718207	337017660	/nfs/dbraw/zinc/01/76/60/337017660.db2.gz	HRBBYTUTILJJOL-RDJZCZTQSA-N	0	3	310.401	2.910	20	30		DFEDHN
N#CC1(CCCN2CCC(c3cnccn3)CC2)CCOCC1	ZINC000375726490	337017959	/nfs/dbraw/zinc/01/79/59/337017959.db2.gz	ITCDVJIVIRZBOD-UHFFFAOYSA-N	0	3	314.433	2.757	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2CCc3nnc(CC)n3C2)cc1	ZINC000376181280	337028995	/nfs/dbraw/zinc/02/89/95/337028995.db2.gz	LINDSLLMYWPYKG-HOCLYGCPSA-N	0	3	324.428	2.518	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000376679026	337039546	/nfs/dbraw/zinc/03/95/46/337039546.db2.gz	JWOCTSLLKMOPCG-WBVHZDCISA-N	0	3	314.454	2.520	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)NCC(C)(C)CCC#N)CC1	ZINC000377026231	337045636	/nfs/dbraw/zinc/04/56/36/337045636.db2.gz	AGOXEXQPOVTUTF-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)CCC#N	ZINC000377031534	337045719	/nfs/dbraw/zinc/04/57/19/337045719.db2.gz	JYUZFCXMPAELOQ-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
C=C(CNC(=O)N1CCCN(CCC)CC1)c1ccccc1	ZINC000377065202	337046256	/nfs/dbraw/zinc/04/62/56/337046256.db2.gz	XUFGLWUMYSOGMP-UHFFFAOYSA-N	0	3	301.434	2.827	20	30		DFEDHN
CC(C)C[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000123468718	337048444	/nfs/dbraw/zinc/04/84/44/337048444.db2.gz	CFFSVGHZJYAHIU-MRXNPFEDSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc2c1CCN(CC)C2	ZINC000377466036	337053103	/nfs/dbraw/zinc/05/31/03/337053103.db2.gz	VHHGWCOJXVLXQK-SJLPKXTDSA-N	0	3	314.429	2.984	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000377693375	337058732	/nfs/dbraw/zinc/05/87/32/337058732.db2.gz	OGPBUOHPTQIVSY-JLSDUUJJSA-N	0	3	316.445	2.702	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCC#N	ZINC000377700146	337058940	/nfs/dbraw/zinc/05/89/40/337058940.db2.gz	JSADDJNKJAPBHI-DLBZAZTESA-N	0	3	314.433	2.597	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@H]1c1cccs1	ZINC000377960023	337064461	/nfs/dbraw/zinc/06/44/61/337064461.db2.gz	MXUDPAOHCWFNJW-APWZRJJASA-N	0	3	324.449	2.909	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2nncn2CC)C1	ZINC000378350484	337070592	/nfs/dbraw/zinc/07/05/92/337070592.db2.gz	ORMMSYCLNVQXAQ-QGZVFWFLSA-N	0	3	324.428	2.690	20	30		DFEDHN
C#CCCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21	ZINC000378394828	337071572	/nfs/dbraw/zinc/07/15/72/337071572.db2.gz	AEQVSSONGGFGFU-HNNXBMFYSA-N	0	3	300.402	2.536	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)c1cnn(CCN2CCCCC2)c1	ZINC000378443894	337073000	/nfs/dbraw/zinc/07/30/00/337073000.db2.gz	KIAAGNSDIROCSE-INIZCTEOSA-N	0	3	318.465	2.844	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1	ZINC000360056925	337084604	/nfs/dbraw/zinc/08/46/04/337084604.db2.gz	ITAFDEQQDSHHJK-RHSMWYFYSA-N	0	3	316.401	2.753	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)CC1	ZINC000170946169	337085660	/nfs/dbraw/zinc/08/56/60/337085660.db2.gz	VJAMVNLLVVBRNS-QZTJIDSGSA-N	0	3	314.429	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2cc(C)oc2C)CC1	ZINC000171726819	337088586	/nfs/dbraw/zinc/08/85/86/337088586.db2.gz	JMIDLHVYGVJASF-ZDUSSCGKSA-N	0	3	305.422	2.907	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C1	ZINC000582719162	337124675	/nfs/dbraw/zinc/12/46/75/337124675.db2.gz	WVXWHDWTRJJKKW-ZWKOTPCHSA-N	0	3	307.397	2.678	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1	ZINC000172908533	337132387	/nfs/dbraw/zinc/13/23/87/337132387.db2.gz	JEMFRHSYIATOCH-HOCLYGCPSA-N	0	3	320.383	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C(CC)CC)no2)CC1	ZINC000172908416	337132397	/nfs/dbraw/zinc/13/23/97/337132397.db2.gz	CKJLJSGYBKVOJE-UHFFFAOYSA-N	0	3	305.422	2.958	20	30		DFEDHN
C=CCCCCCN(C)[C@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000173495413	337135065	/nfs/dbraw/zinc/13/50/65/337135065.db2.gz	BZPRMINLZCALPN-HNNXBMFYSA-N	0	3	304.438	2.512	20	30		DFEDHN
C#CCCCNC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000174106172	337139281	/nfs/dbraw/zinc/13/92/81/337139281.db2.gz	PFQJXNZQPHAVLM-UHFFFAOYSA-N	0	3	313.445	2.672	20	30		DFEDHN
C=CCCCN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000176249604	337149901	/nfs/dbraw/zinc/14/99/01/337149901.db2.gz	GMJOLAMJRUGJAD-KRWDZBQOSA-N	0	3	318.417	2.707	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sc([C@H](C)OC)nc2C)CC1	ZINC000176523223	337151975	/nfs/dbraw/zinc/15/19/75/337151975.db2.gz	RKRPMQKWMXIVFK-LBPRGKRZSA-N	0	3	323.462	2.539	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000178031170	337159887	/nfs/dbraw/zinc/15/98/87/337159887.db2.gz	SVQIDFJPKFBYPR-UHFFFAOYSA-N	0	3	304.409	2.869	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1ccc(Br)cc1	ZINC000181293888	337180969	/nfs/dbraw/zinc/18/09/69/337180969.db2.gz	QEPSSPTUWOIDSI-CYBMUJFWSA-N	0	3	314.223	2.697	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN[C@H](C)c1cccnc1	ZINC000181633269	337183624	/nfs/dbraw/zinc/18/36/24/337183624.db2.gz	LZANRLLEWQTWLM-CRAIPNDOSA-N	0	3	312.413	2.901	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccccc1-n1cccn1	ZINC000183138167	337190166	/nfs/dbraw/zinc/19/01/66/337190166.db2.gz	GBVJOLCAWCSDMS-INIZCTEOSA-N	0	3	324.428	2.724	20	30		DFEDHN
C#CCC(C)(C)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000185171504	337202456	/nfs/dbraw/zinc/20/24/56/337202456.db2.gz	AHKGWASRZRZJTC-UHFFFAOYSA-N	0	3	308.491	2.514	20	30		DFEDHN
N#CC(C(=O)c1cc(=O)[nH]c(C2CC2)c1)c1nc2ccccc2[nH]1	ZINC000187467972	337266186	/nfs/dbraw/zinc/26/61/86/337266186.db2.gz	UAIZQQIXTIRILD-GFCCVEGCSA-N	0	3	318.336	2.619	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](Nc3ncccn3)C2)c1	ZINC000583204514	337270524	/nfs/dbraw/zinc/27/05/24/337270524.db2.gz	WUWFUABSHNNLIV-INIZCTEOSA-N	0	3	310.401	2.728	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN(CCOC(C)C)CC2)CCC1	ZINC000188730861	337274605	/nfs/dbraw/zinc/27/46/05/337274605.db2.gz	FOBCTWQOUKLCSB-UHFFFAOYSA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[C@@H]1O	ZINC000190060754	337284969	/nfs/dbraw/zinc/28/49/69/337284969.db2.gz	NIICSVDNHMAQEG-YJBOKZPZSA-N	0	3	324.428	2.666	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)c1cccc(CC#N)c1	ZINC000583270473	337297549	/nfs/dbraw/zinc/29/75/49/337297549.db2.gz	FYROPADHOLZEKR-SFHVURJKSA-N	0	3	307.397	2.745	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1oc2ccccc2c1CN(C)C	ZINC000191980768	337302688	/nfs/dbraw/zinc/30/26/88/337302688.db2.gz	CVIHYHVXEVGZDC-UHFFFAOYSA-N	0	3	316.401	2.769	20	30		DFEDHN
C#CCCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000192153515	337303338	/nfs/dbraw/zinc/30/33/38/337303338.db2.gz	DQDIDZXKNQIORN-CALCHBBNSA-N	0	3	320.477	2.528	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1ccc(Cl)cc1Cl	ZINC000424070680	337731068	/nfs/dbraw/zinc/73/10/68/337731068.db2.gz	ALRXABUOLWSTOX-ZDUSSCGKSA-N	0	3	314.216	2.673	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c1	ZINC000424082597	337732105	/nfs/dbraw/zinc/73/21/05/337732105.db2.gz	AFHJFOAIZLFJHL-CZUORRHYSA-N	0	3	303.406	2.672	20	30		DFEDHN
CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cccc(OC)c1	ZINC000424101030	337736668	/nfs/dbraw/zinc/73/66/68/337736668.db2.gz	XSUMDQAATKRKRQ-XJKSGUPXSA-N	0	3	303.406	2.626	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc2cc(F)c(F)cc2s1	ZINC000424112448	337740045	/nfs/dbraw/zinc/74/00/45/337740045.db2.gz	JWPZMTMBOAXGJU-SECBINFHSA-N	0	3	310.329	2.534	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1scnc1-c1ccccc1	ZINC000424115071	337741457	/nfs/dbraw/zinc/74/14/57/337741457.db2.gz	TWYZPDKBFWMHLG-LBPRGKRZSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccccc1NCC(F)(F)F	ZINC000424151710	337776266	/nfs/dbraw/zinc/77/62/66/337776266.db2.gz	HSRGVWYHWYVNEF-JTQLQIEISA-N	0	3	314.311	2.620	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000528043402	337785572	/nfs/dbraw/zinc/78/55/72/337785572.db2.gz	OMCSRRGWSOZMHK-UHFFFAOYSA-N	0	3	303.406	2.895	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc2cccc(F)c2o1	ZINC000424168227	337790694	/nfs/dbraw/zinc/79/06/94/337790694.db2.gz	IBODOCVENPEBQO-GWCFXTLKSA-N	0	3	303.337	2.770	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2c(Cl)cccc21	ZINC000424172471	337793462	/nfs/dbraw/zinc/79/34/62/337793462.db2.gz	OCSDNLWUXMQSLE-KGLIPLIRSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1	ZINC000424173240	337794182	/nfs/dbraw/zinc/79/41/82/337794182.db2.gz	OCKRDKXDFROVDN-AWEZNQCLSA-N	0	3	323.799	2.648	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)CCc2c(F)cccc2F)nn1	ZINC000424296765	337817027	/nfs/dbraw/zinc/81/70/27/337817027.db2.gz	PIVBUJJQASFGPC-GFCCVEGCSA-N	0	3	306.360	2.853	20	30		DFEDHN
COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1	ZINC000424326496	337821261	/nfs/dbraw/zinc/82/12/61/337821261.db2.gz	LVUVTOLYCVRVDF-KWCYVHTRSA-N	0	3	301.390	2.996	20	30		DFEDHN
Cc1ccccc1[C@@H](CN1CCOCC1)N[C@@H]1CC[C@H](C#N)C1	ZINC000424328467	337821617	/nfs/dbraw/zinc/82/16/17/337821617.db2.gz	OCZUNMNRCMOQLD-YQVWRLOYSA-N	0	3	313.445	2.650	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H](CO)Cc1ccco1	ZINC000533186757	337833717	/nfs/dbraw/zinc/83/37/17/337833717.db2.gz	BUCFEGOXJDTKKL-HNNXBMFYSA-N	0	3	301.386	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(CCCC)c2C)CC1	ZINC000122612275	337922838	/nfs/dbraw/zinc/92/28/38/337922838.db2.gz	HLRFTRYNCPHNAG-UHFFFAOYSA-N	0	3	318.465	2.762	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCC1(C#N)CC1)c1ccccc1	ZINC000516230183	338008236	/nfs/dbraw/zinc/00/82/36/338008236.db2.gz	ZNNXIUMVXWJQNH-INIZCTEOSA-N	0	3	314.433	2.672	20	30		DFEDHN
CN(C)CCN(C)C(=O)/C=C/c1cn(CCC#N)c2ccccc12	ZINC000085362325	338008387	/nfs/dbraw/zinc/00/83/87/338008387.db2.gz	XTRIOGOERTUXHA-MDZDMXLPSA-N	0	3	324.428	2.588	20	30		DFEDHN
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(C)(C)C#N)C1	ZINC000428783545	338060961	/nfs/dbraw/zinc/06/09/61/338060961.db2.gz	WEPRWUGVIXZYGC-SFHVURJKSA-N	0	3	300.402	2.743	20	30		DFEDHN
C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000428909149	338065004	/nfs/dbraw/zinc/06/50/04/338065004.db2.gz	WQGLEGIGTRXJJQ-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC	ZINC000429319177	338077618	/nfs/dbraw/zinc/07/76/18/338077618.db2.gz	TUEAPYQXGJWEIF-USXIJHARSA-N	0	3	308.466	2.616	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)NCC1(CC#N)CC1	ZINC000431161625	338124596	/nfs/dbraw/zinc/12/45/96/338124596.db2.gz	FNFVYKBOYHYPLN-UHFFFAOYSA-N	0	3	311.385	2.918	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000431524948	338133167	/nfs/dbraw/zinc/13/31/67/338133167.db2.gz	RMEFODXSHFMBHH-LJQANCHMSA-N	0	3	306.409	2.847	20	30		DFEDHN
Cc1cc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)on1	ZINC000433015031	338176310	/nfs/dbraw/zinc/17/63/10/338176310.db2.gz	IHMMANMYMPUAOS-OAHLLOKOSA-N	0	3	312.373	2.946	20	30		DFEDHN
Cc1cc(C)n(CCCNC(=O)C(C#N)CCc2ccccc2)n1	ZINC000433111048	338182160	/nfs/dbraw/zinc/18/21/60/338182160.db2.gz	RIHGBAUBFWBYES-SFHVURJKSA-N	0	3	324.428	2.779	20	30		DFEDHN
COC[C@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCO1	ZINC000433208476	338185878	/nfs/dbraw/zinc/18/58/78/338185878.db2.gz	NMLPSAUDNHRRSL-ROUUACIJSA-N	0	3	318.417	2.653	20	30		DFEDHN
CN(CCc1nccs1)C(=O)C(C#N)CCc1ccccc1	ZINC000433378824	338194256	/nfs/dbraw/zinc/19/42/56/338194256.db2.gz	RHINEBQELBIUDR-HNNXBMFYSA-N	0	3	313.426	2.917	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(Br)cn1	ZINC000435728405	338246341	/nfs/dbraw/zinc/24/63/41/338246341.db2.gz	LJLPYPOLPUKNML-SMDDNHRTSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C#N)CC	ZINC000436044610	338256636	/nfs/dbraw/zinc/25/66/36/338256636.db2.gz	MUUJBKNXDWLAJV-CQSZACIVSA-N	0	3	319.478	2.887	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](CNC(C)=O)C1	ZINC000155583744	338293501	/nfs/dbraw/zinc/29/35/01/338293501.db2.gz	KQJNKCMLAGSNAZ-MRXNPFEDSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1	ZINC000437500551	338311799	/nfs/dbraw/zinc/31/17/99/338311799.db2.gz	MMTNBHJMSAQLDG-ULQDDVLXSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCCCC1	ZINC000437625590	338316423	/nfs/dbraw/zinc/31/64/23/338316423.db2.gz	DHDBDEHMTMZFIF-CVEARBPZSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1	ZINC000438284935	338338572	/nfs/dbraw/zinc/33/85/72/338338572.db2.gz	UPZBQIDQOAGWOL-MRXNPFEDSA-N	0	3	318.461	2.528	20	30		DFEDHN
N#CCC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1	ZINC000438833827	338353121	/nfs/dbraw/zinc/35/31/21/338353121.db2.gz	HBIZPRATBRGQCV-NVXWUHKLSA-N	0	3	312.417	2.567	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000448641273	338394003	/nfs/dbraw/zinc/39/40/03/338394003.db2.gz	XBBZKGFFCVLAJE-SQNIBIBYSA-N	0	3	316.445	2.777	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC12CCCC2	ZINC000448938573	338580504	/nfs/dbraw/zinc/58/05/04/338580504.db2.gz	UVUKTGOIHGVSEI-CRAIPNDOSA-N	0	3	301.434	2.547	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1C(F)(F)F)C(C)C	ZINC000448974249	338581741	/nfs/dbraw/zinc/58/17/41/338581741.db2.gz	JMTWPBNUHXNWBK-MGPQQGTHSA-N	0	3	318.383	3.000	20	30		DFEDHN
CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1n1cccn1	ZINC000449657226	338644679	/nfs/dbraw/zinc/64/46/79/338644679.db2.gz	ODHIZUNOFADQTG-ZVDSWSACSA-N	0	3	302.422	2.662	20	30		DFEDHN
C[C@H]1CN(CCC2CCN(CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000450476854	338686695	/nfs/dbraw/zinc/68/66/95/338686695.db2.gz	SEZULJIGDWIRBV-IRXDYDNUSA-N	0	3	319.493	2.892	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCCC[C@H]1C(=O)OC	ZINC000451237082	338726889	/nfs/dbraw/zinc/72/68/89/338726889.db2.gz	UIYPBNUKGVAJJQ-XHSDSOJGSA-N	0	3	324.465	2.511	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000451610989	338740397	/nfs/dbraw/zinc/74/03/97/338740397.db2.gz	VPUCUPKFVGSWBT-ILXRZTDVSA-N	0	3	324.783	2.518	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000453354234	338830418	/nfs/dbraw/zinc/83/04/18/338830418.db2.gz	KOJPYIJMKSSMND-YUTCNCBUSA-N	0	3	307.390	2.707	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1	ZINC000453375830	338834189	/nfs/dbraw/zinc/83/41/89/338834189.db2.gz	XLPQKCVQWFQWJI-UJWQCDCRSA-N	0	3	317.429	2.935	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453453534	338843325	/nfs/dbraw/zinc/84/33/25/338843325.db2.gz	OIKQYDPATUBSCP-INIZCTEOSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2cc(C)ccc2F)CC1	ZINC000454537532	338866098	/nfs/dbraw/zinc/86/60/98/338866098.db2.gz	HKKOPJSOPIKXRA-UHFFFAOYSA-N	0	3	319.424	2.626	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC(C)CC1	ZINC000455910505	338914050	/nfs/dbraw/zinc/91/40/50/338914050.db2.gz	CRTSKVFPQOESRM-OAHLLOKOSA-N	0	3	314.433	2.995	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)CSCC#N)CC1	ZINC000456688812	338937270	/nfs/dbraw/zinc/93/72/70/338937270.db2.gz	HBKHWOJZPHKIMY-UHFFFAOYSA-N	0	3	311.495	2.602	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1cccc(SCC#N)c1	ZINC000457054018	338949618	/nfs/dbraw/zinc/94/96/18/338949618.db2.gz	PXGFDLCDODKQSI-UHFFFAOYSA-N	0	3	317.458	2.906	20	30		DFEDHN
Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1OCCN(C)C	ZINC000458189775	338991359	/nfs/dbraw/zinc/99/13/59/338991359.db2.gz	DQSZSZINTBAJNG-UHFFFAOYSA-N	0	3	315.417	2.958	20	30		DFEDHN
Cc1cc(NC(=O)C2(C#N)CCC2)ccc1OCCN(C)C	ZINC000458195749	338991500	/nfs/dbraw/zinc/99/15/00/338991500.db2.gz	LQIZZGVTLKBRAT-UHFFFAOYSA-N	0	3	301.390	2.568	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000458995543	339010612	/nfs/dbraw/zinc/01/06/12/339010612.db2.gz	HGWLWZYHMJHGDZ-INIZCTEOSA-N	0	3	305.422	2.563	20	30		DFEDHN
C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000459067151	339012669	/nfs/dbraw/zinc/01/26/69/339012669.db2.gz	BEBIYWBKRBVDSQ-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000459071147	339012682	/nfs/dbraw/zinc/01/26/82/339012682.db2.gz	GTHZZXNGVBYICZ-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000459102663	339013668	/nfs/dbraw/zinc/01/36/68/339013668.db2.gz	UJPVSUYLSKXSSH-MRXNPFEDSA-N	0	3	305.422	2.563	20	30		DFEDHN
COCC1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000459465801	339030719	/nfs/dbraw/zinc/03/07/19/339030719.db2.gz	XUNWCAZWESAMIL-SFHVURJKSA-N	0	3	313.445	2.513	20	30		DFEDHN
C[C@H]1CN(c2ccccc2CNCC(C)(C)CC#N)CCO1	ZINC000459659909	339041048	/nfs/dbraw/zinc/04/10/48/339041048.db2.gz	AESSRWPFXHGREC-HNNXBMFYSA-N	0	3	301.434	2.941	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1CCCC	ZINC000473169402	339383346	/nfs/dbraw/zinc/38/33/46/339383346.db2.gz	JKWAJZRTCQYTGR-FUHWJXTLSA-N	0	3	310.482	2.986	20	30		DFEDHN
C=CCn1cccc1C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000489980738	339822818	/nfs/dbraw/zinc/82/28/18/339822818.db2.gz	JWDBIAMOFWYZMT-UHFFFAOYSA-N	0	3	313.401	2.867	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H](CC)c2ccc(F)cc2)CC1	ZINC000491099603	339848895	/nfs/dbraw/zinc/84/88/95/339848895.db2.gz	BOQSUEWUUIIRDY-QGZVFWFLSA-N	0	3	302.393	2.738	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](COc1ccccc1)c1ccccc1	ZINC000491752950	339878751	/nfs/dbraw/zinc/87/87/51/339878751.db2.gz	XOFSRTBOVPNOBT-IBGZPJMESA-N	0	3	322.408	2.536	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cscc2C)CC1	ZINC000494914589	339964518	/nfs/dbraw/zinc/96/45/18/339964518.db2.gz	JARBOACSBWHPQQ-UHFFFAOYSA-N	0	3	307.463	2.896	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CCC1	ZINC000496295721	340002397	/nfs/dbraw/zinc/00/23/97/340002397.db2.gz	PZLUDMZZAXRJJN-KGLIPLIRSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCN1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496435954	340005363	/nfs/dbraw/zinc/00/53/63/340005363.db2.gz	OYUCNOPFVZJWEU-CABCVRRESA-N	0	3	310.438	2.567	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C	ZINC000496715519	340011151	/nfs/dbraw/zinc/01/11/51/340011151.db2.gz	DACXFDARMPWTKQ-CHWSQXEVSA-N	0	3	323.437	2.688	20	30		DFEDHN
C#CC[C@@H](CC(F)(F)F)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000496913538	340015981	/nfs/dbraw/zinc/01/59/81/340015981.db2.gz	TTYLYJNXTMGYDN-MNOVXSKESA-N	0	3	308.344	2.834	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@](C)(F)C1)C(C)C	ZINC000500795961	340067434	/nfs/dbraw/zinc/06/74/34/340067434.db2.gz	VOACTQWSNSHXJL-WBVHZDCISA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OC(F)F	ZINC000502582948	340108404	/nfs/dbraw/zinc/10/84/04/340108404.db2.gz	UXLONEHJRFSPOK-MGPQQGTHSA-N	0	3	316.392	2.716	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000507220925	340214143	/nfs/dbraw/zinc/21/41/43/340214143.db2.gz	BSDGERYLCLOAKY-IJEWVQPXSA-N	0	3	317.458	2.663	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)CC1	ZINC000508461619	340244026	/nfs/dbraw/zinc/24/40/26/340244026.db2.gz	NWDUYBALCNOVOF-UHFFFAOYSA-N	0	3	319.497	2.831	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN(C2CCCC2)CC1	ZINC000509000882	340257749	/nfs/dbraw/zinc/25/77/49/340257749.db2.gz	LCNDNAQXSRWUAZ-UHFFFAOYSA-N	0	3	317.481	2.871	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)CCSCC)CC1	ZINC000176500427	340427849	/nfs/dbraw/zinc/42/78/49/340427849.db2.gz	MIVCVJDLZKJKFM-CQSZACIVSA-N	0	3	313.511	2.858	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000177502701	340441141	/nfs/dbraw/zinc/44/11/41/340441141.db2.gz	HKQIWCLCTREIQJ-HNNXBMFYSA-N	0	3	312.454	2.645	20	30		DFEDHN
COC[C@]1(N[C@@H]2CCC[C@@H](C#N)C2)COc2ccccc2C1	ZINC000529669991	340767478	/nfs/dbraw/zinc/76/74/78/340767478.db2.gz	ZGMQNOGJFUDRDC-KYJSFNMBSA-N	0	3	300.402	2.679	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nnc1-c1cccc(OC)c1	ZINC000124228962	340797801	/nfs/dbraw/zinc/79/78/01/340797801.db2.gz	IIOAICRKLLKSPF-UHFFFAOYSA-N	0	3	318.446	2.793	20	30		DFEDHN
COCCOc1ccc(CN2CCC(CC#N)CC2)cc1OC	ZINC000543781810	341058533	/nfs/dbraw/zinc/05/85/33/341058533.db2.gz	UCZRGXNARPKJMC-UHFFFAOYSA-N	0	3	318.417	2.846	20	30		DFEDHN
N#CC1(c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CCCCC1	ZINC000545134754	341109999	/nfs/dbraw/zinc/10/99/99/341109999.db2.gz	BMGGNQLARKNNJN-CHWSQXEVSA-N	0	3	313.405	2.650	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@H](C)CCSCC)CC1	ZINC000074132462	341129442	/nfs/dbraw/zinc/12/94/42/341129442.db2.gz	USSZMTDOQSJHBG-CQSZACIVSA-N	0	3	313.511	2.810	20	30		DFEDHN
C[C@H](CCNCc1cccc(OCCCC#N)c1)[S@@](C)=O	ZINC000133446177	341175329	/nfs/dbraw/zinc/17/53/29/341175329.db2.gz	LFXRUKAORBFVDE-SZNDQCEHSA-N	0	3	308.447	2.616	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnn(CC)c1)C(C)C	ZINC000076059676	341198475	/nfs/dbraw/zinc/19/84/75/341198475.db2.gz	AWJBDTPICRLRFE-INIZCTEOSA-N	0	3	319.453	2.723	20	30		DFEDHN
CC1CCN(CCNC(=O)c2cccc(SCC#N)c2)CC1	ZINC000079531755	341260742	/nfs/dbraw/zinc/26/07/42/341260742.db2.gz	CGCFPRSGVGDFFK-UHFFFAOYSA-N	0	3	317.458	2.764	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1cccc(SCC#N)c1	ZINC000079541806	341260974	/nfs/dbraw/zinc/26/09/74/341260974.db2.gz	GLWIYVYYTWPXOD-UHFFFAOYSA-N	0	3	317.458	2.716	20	30		DFEDHN
N#CC(C(=O)c1ccnc(OCC(F)F)c1)c1ccccn1	ZINC000136538465	341261493	/nfs/dbraw/zinc/26/14/93/341261493.db2.gz	XOXVYVYSMOATNI-NSHDSACASA-N	0	3	303.268	2.611	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC1	ZINC000548511252	341265160	/nfs/dbraw/zinc/26/51/60/341265160.db2.gz	JCWDPGYKTFBHKW-GFCCVEGCSA-N	0	3	321.387	2.913	20	30		DFEDHN
C=CCOCCCN1CCCN(Cc2nccn2C(C)C)CC1	ZINC000548751456	341272151	/nfs/dbraw/zinc/27/21/51/341272151.db2.gz	DVIYSLWKMHRVHZ-UHFFFAOYSA-N	0	3	320.481	2.564	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2[C@H](C)C[C@@H]2C)c(OC)c1	ZINC000548754956	341272508	/nfs/dbraw/zinc/27/25/08/341272508.db2.gz	VIQMOXMWQARVLV-LZWOXQAQSA-N	0	3	305.418	2.646	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2[C@H](C)C[C@@H]2C)c(OC)c1	ZINC000548754955	341272601	/nfs/dbraw/zinc/27/26/01/341272601.db2.gz	VIQMOXMWQARVLV-IJEWVQPXSA-N	0	3	305.418	2.646	20	30		DFEDHN
CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000549039592	341284493	/nfs/dbraw/zinc/28/44/93/341284493.db2.gz	RFVSBCLMTNZSAC-CYBMUJFWSA-N	0	3	323.318	2.945	20	30		DFEDHN
C[C@@H](NC[C@H](C#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000549997634	341308337	/nfs/dbraw/zinc/30/83/37/341308337.db2.gz	OIXVHGFSCBSWNP-OLZOCXBDSA-N	0	3	316.371	2.682	20	30		DFEDHN
CN(C(=O)CN1CCC[C@@H]2CCC[C@H]21)C1(C#N)CCCCC1	ZINC000247204619	341362239	/nfs/dbraw/zinc/36/22/39/341362239.db2.gz	CDSUDSKTUHPSID-JKSUJKDBSA-N	0	3	303.450	2.936	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000248916270	341390016	/nfs/dbraw/zinc/39/00/16/341390016.db2.gz	WCQYLRSPSGCHJH-FUHWJXTLSA-N	0	3	313.445	2.891	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@@H]2CO)cc1OCCCC#N	ZINC000249080051	341393324	/nfs/dbraw/zinc/39/33/24/341393324.db2.gz	LNANQTHWXXVDBR-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@H]2CCCOC2)CC1	ZINC000371637777	500575592	/nfs/dbraw/zinc/57/55/92/500575592.db2.gz	LJVDYEYRFABEDQ-WMZOPIPTSA-N	0	3	320.477	2.714	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(c3ccccc3)CC2)CC1	ZINC000264397852	500578056	/nfs/dbraw/zinc/57/80/56/500578056.db2.gz	LOQIPAXSXDEFMV-UHFFFAOYSA-N	0	3	313.445	2.668	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000294785874	533868059	/nfs/dbraw/zinc/86/80/59/533868059.db2.gz	AWARIBNWBKQMEA-XQQFMLRXSA-N	0	3	317.393	2.640	20	30		DFEDHN
C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000302199947	534087494	/nfs/dbraw/zinc/08/74/94/534087494.db2.gz	GVSGIQDZMKIPBX-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1nc(C)c(CON=C(N)c2ccc(CN(C)C)cc2)s1	ZINC000267009219	518192526	/nfs/dbraw/zinc/19/25/26/518192526.db2.gz	LQIUBSQBUKNYHT-UHFFFAOYSA-N	0	3	318.446	2.659	20	30		DFEDHN
Cc1ccnc(N(C)[C@H]2CCN(Cc3ccccc3)C2)c1C#N	ZINC000309928535	534394168	/nfs/dbraw/zinc/39/41/68/534394168.db2.gz	UZXWTZOKOXWJGK-KRWDZBQOSA-N	0	3	306.413	2.972	20	30		DFEDHN
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21	ZINC000365005076	523023369	/nfs/dbraw/zinc/02/33/69/523023369.db2.gz	WCPWCVXZFLNEOS-QZTJIDSGSA-N	0	3	307.397	2.996	20	30		DFEDHN
N#Cc1c(Cl)cccc1N1CCN(C2CCOCC2)CC1	ZINC000297585315	534762307	/nfs/dbraw/zinc/76/23/07/534762307.db2.gz	TUHYOLWNJROKIE-UHFFFAOYSA-N	0	3	305.809	2.513	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN[C@H]1CCc2c1cccc2O	ZINC000298092981	534817224	/nfs/dbraw/zinc/81/72/24/534817224.db2.gz	IHKPEJDSIIKOCA-KRWDZBQOSA-N	0	3	321.380	2.870	20	30		DFEDHN
C[C@@H](Cc1nc(-c2ccccc2)no1)NCc1cc(C#N)n(C)c1	ZINC000365160549	524943671	/nfs/dbraw/zinc/94/36/71/524943671.db2.gz	XSVGWCHUVUYBBH-ZDUSSCGKSA-N	0	3	321.384	2.668	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCN(C3CCCCC3)CC2)cc1	ZINC000163922330	526688079	/nfs/dbraw/zinc/68/80/79/526688079.db2.gz	BCXYFBPAZHMDQX-IBGZPJMESA-N	0	3	313.445	2.542	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCCO[C@@H]2CCC[C@@H]21	ZINC000369457065	526769072	/nfs/dbraw/zinc/76/90/72/526769072.db2.gz	HVHCUIOXUZRVFF-UONOGXRCSA-N	0	3	319.430	2.592	20	30		DFEDHN
CC(C)C(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000330789466	527466890	/nfs/dbraw/zinc/46/68/90/527466890.db2.gz	RXTRHSHWHDGWOW-CYBMUJFWSA-N	0	3	317.408	2.995	20	30		DFEDHN
CC(C)COC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C	ZINC000299448309	528111224	/nfs/dbraw/zinc/11/12/24/528111224.db2.gz	VSRLZXVQBGZHTK-GOSISDBHSA-N	0	3	304.434	2.802	20	30		DFEDHN
CN(C)CCOC1CCN(c2ccc(C#N)c(Cl)c2)CC1	ZINC000356234593	535893169	/nfs/dbraw/zinc/89/31/69/535893169.db2.gz	YSQGUZCROWBYDP-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
CO[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000237213738	536639520	/nfs/dbraw/zinc/63/95/20/536639520.db2.gz	YJDSDQQNJXVAON-QGZVFWFLSA-N	0	3	306.369	2.683	20	30		DFEDHN
C=CC[C@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C	ZINC000680484524	545501106	/nfs/dbraw/zinc/50/11/06/545501106.db2.gz	LMALYXWKKXFBOR-OAHLLOKOSA-N	0	3	303.381	2.655	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000680998326	545578850	/nfs/dbraw/zinc/57/88/50/545578850.db2.gz	YMGWJYCDHPQHHW-AWEZNQCLSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1	ZINC000681054097	545589749	/nfs/dbraw/zinc/58/97/49/545589749.db2.gz	HOBDVRWRMXTGBA-IAGOWNOFSA-N	0	3	324.852	2.504	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(F)c(F)c1	ZINC000681317967	545627825	/nfs/dbraw/zinc/62/78/25/545627825.db2.gz	WBJMBFFUBQNTSE-XJKSGUPXSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CC[C@@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccccc1	ZINC000681656357	545693155	/nfs/dbraw/zinc/69/31/55/545693155.db2.gz	DNYLSGAJQFLYCZ-QGZVFWFLSA-N	0	3	312.417	2.743	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C)cn2)CC1	ZINC000682707721	545903042	/nfs/dbraw/zinc/90/30/42/545903042.db2.gz	CABXGSNMLWNZBI-UHFFFAOYSA-N	0	3	316.449	2.572	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC2(C(F)(F)F)CCC2)CC1	ZINC000683900612	546115509	/nfs/dbraw/zinc/11/55/09/546115509.db2.gz	UYXZETJCURBURE-UHFFFAOYSA-N	0	3	319.371	2.811	20	30		DFEDHN
C#CC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCCC1	ZINC000819701344	607059047	/nfs/dbraw/zinc/05/90/47/607059047.db2.gz	DJSPBAQXVVYZKQ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCCC1	ZINC000819701344	607059048	/nfs/dbraw/zinc/05/90/48/607059048.db2.gz	DJSPBAQXVVYZKQ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C1CCCCC1	ZINC000819701344	607059049	/nfs/dbraw/zinc/05/90/49/607059049.db2.gz	DJSPBAQXVVYZKQ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C1CCCCC1	ZINC000819701344	607059050	/nfs/dbraw/zinc/05/90/50/607059050.db2.gz	DJSPBAQXVVYZKQ-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C=CCC[C@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)C1CC1	ZINC000823894244	608280735	/nfs/dbraw/zinc/28/07/35/608280735.db2.gz	LJFBVCDHVMRXSR-INIZCTEOSA-N	0	3	313.405	2.580	20	30		DFEDHN
C=CCC[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)C1CC1	ZINC000823894244	608280737	/nfs/dbraw/zinc/28/07/37/608280737.db2.gz	LJFBVCDHVMRXSR-INIZCTEOSA-N	0	3	313.405	2.580	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000079340370	185165831	/nfs/dbraw/zinc/16/58/31/185165831.db2.gz	YFELHNBKDMRULP-HNNXBMFYSA-N	0	3	322.474	2.984	20	30		DFEDHN
C#CCN(Cc1cc(=O)n2cc(C)ccc2n1)C1CCCCC1	ZINC000065960852	398353012	/nfs/dbraw/zinc/35/30/12/398353012.db2.gz	HIXWJLCXHIWCBQ-UHFFFAOYSA-N	0	3	309.413	2.771	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000008003925	398367713	/nfs/dbraw/zinc/36/77/13/398367713.db2.gz	RUSCWMWVPJOTJQ-MSOLQXFVSA-N	0	3	317.408	2.921	20	30		DFEDHN
CN1CCN(c2nc3ncccc3cc2C#N)CC12CCCCC2	ZINC000596251809	398368427	/nfs/dbraw/zinc/36/84/27/398368427.db2.gz	YYASQERBUBRUST-UHFFFAOYSA-N	0	3	321.428	2.956	20	30		DFEDHN
C=CCNC(=O)CN1CCN(CC[C@H](C)CCC=C(C)C)CC1	ZINC000578544048	398373580	/nfs/dbraw/zinc/37/35/80/398373580.db2.gz	UAYYZIRFBMHETK-GOSISDBHSA-N	0	3	321.509	2.679	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC[C@H](C)C1	ZINC000578743507	398375611	/nfs/dbraw/zinc/37/56/11/398375611.db2.gz	HGCZTTLJFDXANE-JKSUJKDBSA-N	0	3	320.481	2.832	20	30		DFEDHN
N#CCCN(C(=O)[C@@H](C1CC1)N1CCCC1)c1ccc(F)cc1	ZINC000578822633	398375831	/nfs/dbraw/zinc/37/58/31/398375831.db2.gz	PPOGTXMVPVVWPM-QGZVFWFLSA-N	0	3	315.392	2.947	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C1	ZINC000579486946	398380572	/nfs/dbraw/zinc/38/05/72/398380572.db2.gz	ALTARJVCJMDVSK-BPQIPLTHSA-N	0	3	307.397	2.871	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN(C2CCC2)C1	ZINC000579082972	398377774	/nfs/dbraw/zinc/37/77/74/398377774.db2.gz	RXCFWGMLBXYESX-JYJNAYRXSA-N	0	3	318.465	2.585	20	30		DFEDHN
CCC(C)(C)N1CCN(c2nc3ncccc3cc2C#N)CC1	ZINC000596296759	398379287	/nfs/dbraw/zinc/37/92/87/398379287.db2.gz	AGLLKFZKUGYIIS-UHFFFAOYSA-N	0	3	309.417	2.812	20	30		DFEDHN
CCCCN(C)CCNC(=O)NC(C)(C)c1cccc(C#N)c1	ZINC000596302101	398380792	/nfs/dbraw/zinc/38/07/92/398380792.db2.gz	QDCQFZTYXPWDDH-UHFFFAOYSA-N	0	3	316.449	2.824	20	30		DFEDHN
COc1ccc2ncc(C#N)c(NC[C@@H]3CCN3C(C)(C)C)c2c1	ZINC000596309059	398382898	/nfs/dbraw/zinc/38/28/98/398382898.db2.gz	NWQRTGAJQVJLGT-AWEZNQCLSA-N	0	3	324.428	2.822	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181331615	199282835	/nfs/dbraw/zinc/28/28/35/199282835.db2.gz	PTLIUWGJGQZUKS-YOEHRIQHSA-N	0	3	322.412	2.669	20	30		DFEDHN
CC1(C)CCC[C@@H]1[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000592154242	398393667	/nfs/dbraw/zinc/39/36/67/398393667.db2.gz	NHHSSOWXSHZPNI-HUUCEWRRSA-N	0	3	303.450	2.697	20	30		DFEDHN
Cc1ccc(C2(NCC(=O)N[C@](C)(C#N)C3CC3)CCC2)cc1	ZINC000592190093	398399784	/nfs/dbraw/zinc/39/97/84/398399784.db2.gz	ZELWKFGRZMXZLF-GOSISDBHSA-N	0	3	311.429	2.772	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)CC2	ZINC000332653990	529750972	/nfs/dbraw/zinc/75/09/72/529750972.db2.gz	NZJWASMJUIDNHJ-YPMHNXCESA-N	0	3	313.380	2.517	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCCC[C@H]2C2CCC2)c1	ZINC000592199298	398401365	/nfs/dbraw/zinc/40/13/65/398401365.db2.gz	ZPMIOCXVJDMQEQ-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000272800365	210202115	/nfs/dbraw/zinc/20/21/15/210202115.db2.gz	BFFGSAJMFZLKCF-DLBZAZTESA-N	0	3	307.459	2.903	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000250683997	398417015	/nfs/dbraw/zinc/41/70/15/398417015.db2.gz	FSFSLOWYPQXJPV-KBXCAEBGSA-N	0	3	305.466	2.943	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)Oc1ccccc1	ZINC000592505216	398437413	/nfs/dbraw/zinc/43/74/13/398437413.db2.gz	FHVHCAOBKIRXJQ-UHFFFAOYSA-N	0	3	321.384	2.548	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(O)cc1)C(C)C	ZINC000132909593	334947913	/nfs/dbraw/zinc/94/79/13/334947913.db2.gz	UEWSGXBNTGVAHQ-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596617592	398462064	/nfs/dbraw/zinc/46/20/64/398462064.db2.gz	UVPBAOIDHDJEGT-IKGGRYGDSA-N	0	3	320.481	2.878	20	30		DFEDHN
N#Cc1ccc(Cl)cc1NC1CCN([C@H]2CCOC2)CC1	ZINC000089603384	398459174	/nfs/dbraw/zinc/45/91/74/398459174.db2.gz	RBISADKRXJJWAX-HNNXBMFYSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCO1	ZINC000586833905	398465956	/nfs/dbraw/zinc/46/59/56/398465956.db2.gz	WCELTMUKYBTRQM-KSZLIROESA-N	0	3	312.413	2.929	20	30		DFEDHN
CCN1C[C@H](Nc2nc3cc(Cl)ccn3c2C#N)[C@@H](C)C1	ZINC000587995524	398474116	/nfs/dbraw/zinc/47/41/16/398474116.db2.gz	XFNDIQHRIMMBHA-JQWIXIFHSA-N	0	3	303.797	2.611	20	30		DFEDHN
N#CC1(CC(=O)N2CCN(C3CCCC3)CC2)CCCCC1	ZINC000596735164	398488765	/nfs/dbraw/zinc/48/87/65/398488765.db2.gz	DSOFSDRJPYJXNZ-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
CCCC[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592851468	398495923	/nfs/dbraw/zinc/49/59/23/398495923.db2.gz	DCYIFZHNCWMOQI-AEFFLSMTSA-N	0	3	302.418	2.816	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000596766513	398497270	/nfs/dbraw/zinc/49/72/70/398497270.db2.gz	HXHGOBHGZUAEDZ-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC(OCCCO)CC1	ZINC000305103479	398504873	/nfs/dbraw/zinc/50/48/73/398504873.db2.gz	AQEYQYDMZHTOBC-UHFFFAOYSA-N	0	3	316.445	2.851	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596858756	398515604	/nfs/dbraw/zinc/51/56/04/398515604.db2.gz	BCCINIYSPXOERM-UHFFFAOYSA-N	0	3	320.481	2.976	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)NCC1(C#N)CCCCC1	ZINC000596861004	398516239	/nfs/dbraw/zinc/51/62/39/398516239.db2.gz	AVZWUWVUJJIIPL-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNCc2ccc(Cl)cc2)cc1	ZINC000314604218	398520145	/nfs/dbraw/zinc/52/01/45/398520145.db2.gz	SYTWUJBTLZQVOO-MRXNPFEDSA-N	0	3	316.788	2.741	20	30		DFEDHN
Cc1csc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c1C#N	ZINC000596904085	398526075	/nfs/dbraw/zinc/52/60/75/398526075.db2.gz	NKVHSANWRWWJKM-LLVKDONJSA-N	0	3	306.435	2.923	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000091618391	398536875	/nfs/dbraw/zinc/53/68/75/398536875.db2.gz	OWZBEFMWBHJYBI-KRWDZBQOSA-N	0	3	321.509	2.798	20	30		DFEDHN
CN(CCc1cccs1)C[C@H](O)COc1ccccc1C#N	ZINC000317746639	398536698	/nfs/dbraw/zinc/53/66/98/398536698.db2.gz	XZWSVARLJCTRDQ-HNNXBMFYSA-N	0	3	316.426	2.534	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000596967593	398537134	/nfs/dbraw/zinc/53/71/34/398537134.db2.gz	IELGGFCKWSPDEI-INIZCTEOSA-N	0	3	301.434	2.559	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](NC2(C3CCC3)CC2)C1=O	ZINC000593083225	398540578	/nfs/dbraw/zinc/54/05/78/398540578.db2.gz	VXFZVKYGJVVTCO-ZDUSSCGKSA-N	0	3	301.415	2.647	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2cccc(C#N)n2)N(C)C)cc1	ZINC000589254190	398540908	/nfs/dbraw/zinc/54/09/08/398540908.db2.gz	PILIARXMEGPCKG-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
C[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccccc21	ZINC000593090302	398542550	/nfs/dbraw/zinc/54/25/50/398542550.db2.gz	IAPINELDSSQNJL-LIRRHRJNSA-N	0	3	319.408	2.746	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000589332296	398546493	/nfs/dbraw/zinc/54/64/93/398546493.db2.gz	APYKFHWMZKUDJO-WMLDXEAASA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(C(=O)C3CCCC3)C1)CC2	ZINC000589341844	398547210	/nfs/dbraw/zinc/54/72/10/398547210.db2.gz	ALEDFWFQTDAGHP-MJGOQNOKSA-N	0	3	323.440	2.926	20	30		DFEDHN
COCCN1CCN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1	ZINC000593100335	398545755	/nfs/dbraw/zinc/54/57/55/398545755.db2.gz	IHMPHFDGBBIKLB-UHFFFAOYSA-N	0	3	321.852	2.754	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](OCCOCC)C1	ZINC000092067429	398554926	/nfs/dbraw/zinc/55/49/26/398554926.db2.gz	NEVDAOWKSWBXNL-KRWDZBQOSA-N	0	3	305.418	2.879	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000589539435	398559598	/nfs/dbraw/zinc/55/95/98/398559598.db2.gz	OIJZIZCHFOCOIN-SNVBAGLBSA-N	0	3	301.321	2.833	20	30		DFEDHN
N#CCC1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1	ZINC000597081769	398562662	/nfs/dbraw/zinc/56/26/62/398562662.db2.gz	IFMOKQKDNSJFPE-GOSISDBHSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cn1cc(CN[C@@H]2CO[C@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000597081427	398562885	/nfs/dbraw/zinc/56/28/85/398562885.db2.gz	HFZUCTMHMLYOLE-ROUUACIJSA-N	0	3	322.412	2.616	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NCCCN1CCc2ccccc2C1	ZINC000069345091	398565436	/nfs/dbraw/zinc/56/54/36/398565436.db2.gz	XHIRICZWFAALED-MRXNPFEDSA-N	0	3	316.445	2.532	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(Cn4cncn4)CC3)cc2)CC1	ZINC000597092790	398565829	/nfs/dbraw/zinc/56/58/29/398565829.db2.gz	QRJJAJMDEADZJE-UHFFFAOYSA-N	0	3	321.428	2.745	20	30		DFEDHN
N#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)n1	ZINC000593178946	398565846	/nfs/dbraw/zinc/56/58/46/398565846.db2.gz	DTLJIPULZJZFJL-GHMZBOCLSA-N	0	3	313.279	2.639	20	30		DFEDHN
N#Cc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)n1	ZINC000593178947	398565889	/nfs/dbraw/zinc/56/58/89/398565889.db2.gz	DTLJIPULZJZFJL-MNOVXSKESA-N	0	3	313.279	2.639	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000069356193	398566132	/nfs/dbraw/zinc/56/61/32/398566132.db2.gz	LMNQKSLFKGPEEG-AWEZNQCLSA-N	0	3	306.406	2.547	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H]1OC	ZINC000597085114	398563519	/nfs/dbraw/zinc/56/35/19/398563519.db2.gz	CGVCSQNIKMMMRY-GVDBMIGSSA-N	0	3	300.402	2.524	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)NCC1(C#N)CCCC1	ZINC000593184757	398567901	/nfs/dbraw/zinc/56/79/01/398567901.db2.gz	WVZBOLMTXHWAPA-UHFFFAOYSA-N	0	3	314.433	2.996	20	30		DFEDHN
CN1CCC2(CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)C1=O	ZINC000597116089	398569446	/nfs/dbraw/zinc/56/94/46/398569446.db2.gz	DJMMEBKXYZGEJW-UHFFFAOYSA-N	0	3	323.440	2.686	20	30		DFEDHN
COC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)n(C)c1C	ZINC000589735986	398573351	/nfs/dbraw/zinc/57/33/51/398573351.db2.gz	ZDKSEYRQGSBEGR-SFHVURJKSA-N	0	3	323.396	2.769	20	30		DFEDHN
N#Cc1cccc(C(=O)N(CCN2CCCC2)c2ccccc2)n1	ZINC000589778036	398576059	/nfs/dbraw/zinc/57/60/59/398576059.db2.gz	PBLYBXBANBQDQD-UHFFFAOYSA-N	0	3	320.396	2.696	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H](Nc4ncccn4)C3)cc2)CC1	ZINC000597153824	398577010	/nfs/dbraw/zinc/57/70/10/398577010.db2.gz	JETMIDDSIDWKJM-KRWDZBQOSA-N	0	3	319.412	2.718	20	30		DFEDHN
CCN(CC)Cc1cccc(NC(=O)c2cc(C#N)cn2C)c1	ZINC000081011397	282627978	/nfs/dbraw/zinc/62/79/78/282627978.db2.gz	REANSODKDQFIDS-UHFFFAOYSA-N	0	3	310.401	2.991	20	30		DFEDHN
COc1cc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)ccc1C#N	ZINC000589938888	398584089	/nfs/dbraw/zinc/58/40/89/398584089.db2.gz	BQHIWFBAAYQMGA-TZMCWYRMSA-N	0	3	314.307	2.502	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c(F)c1	ZINC000589939221	398584340	/nfs/dbraw/zinc/58/43/40/398584340.db2.gz	ZQFJHMBECYLREG-WCQYABFASA-N	0	3	302.271	2.633	20	30		DFEDHN
COc1cc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)ccc1C#N	ZINC000589938883	398584383	/nfs/dbraw/zinc/58/43/83/398584383.db2.gz	BQHIWFBAAYQMGA-GXTWGEPZSA-N	0	3	314.307	2.502	20	30		DFEDHN
CN(c1ccccc1CN1CC(CC#N)C1)C1CCN(C)CC1	ZINC000597194103	398586846	/nfs/dbraw/zinc/58/68/46/398586846.db2.gz	MYGDECFIQWSQBH-UHFFFAOYSA-N	0	3	312.461	2.562	20	30		DFEDHN
C[C@@H]1C[C@H]1CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000597203365	398589478	/nfs/dbraw/zinc/58/94/78/398589478.db2.gz	ORRDSSGOMHMJOX-PBHICJAKSA-N	0	3	321.428	2.726	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCC1(C#N)CCCC1)c1ccccc1	ZINC000593294529	398591541	/nfs/dbraw/zinc/59/15/41/398591541.db2.gz	MGGYVRHJLJVQHB-MRXNPFEDSA-N	0	3	314.433	2.672	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597229478	398597795	/nfs/dbraw/zinc/59/77/95/398597795.db2.gz	LMIILNYMXQCEGW-ZDUSSCGKSA-N	0	3	321.371	2.831	20	30		DFEDHN
C[C@]1(C#N)CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	ZINC000597228793	398597872	/nfs/dbraw/zinc/59/78/72/398597872.db2.gz	GRDJFYYPGQPGAX-LJQANCHMSA-N	0	3	313.445	2.897	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1cccs1	ZINC000070790528	398599281	/nfs/dbraw/zinc/59/92/81/398599281.db2.gz	YEIVXDBNBXCSFA-LBPRGKRZSA-N	0	3	317.374	2.638	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CC2(C#N)CC2)[C@@H]1c1cccs1	ZINC000590273479	398608620	/nfs/dbraw/zinc/60/86/20/398608620.db2.gz	GMERATYLZFVHFB-XJKSGUPXSA-N	0	3	317.458	2.941	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)c(F)c1	ZINC000597239040	398602945	/nfs/dbraw/zinc/60/29/45/398602945.db2.gz	IOLBPIQFPSHVHG-DOTOQJQBSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C#N)CC1	ZINC000590293931	398610431	/nfs/dbraw/zinc/61/04/31/398610431.db2.gz	GAJMUYORNHSKMS-RDJZCZTQSA-N	0	3	311.429	2.707	20	30		DFEDHN
CN1CCC(N(Cc2ccccc2)C(=O)CC2(C#N)CC2)CC1	ZINC000590294142	398610586	/nfs/dbraw/zinc/61/05/86/398610586.db2.gz	OFORTFVDPOGTPD-UHFFFAOYSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@@H](CC#N)N(C)Cc1ccc(OCCN2CCCC2)cc1	ZINC000093091153	398619256	/nfs/dbraw/zinc/61/92/56/398619256.db2.gz	ITBVUACVUCTVMQ-INIZCTEOSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cn(C)nc2C(C)C)CC1	ZINC000280723040	334970290	/nfs/dbraw/zinc/97/02/90/334970290.db2.gz	JVMKPMHTFYKNNY-UHFFFAOYSA-N	0	3	319.453	2.706	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C#N)CCCCC2)C1	ZINC000597409287	398636566	/nfs/dbraw/zinc/63/65/66/398636566.db2.gz	CQZVFUCJIUUKOT-JKSUJKDBSA-N	0	3	303.450	2.793	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(Cc2cccc(N)c2)CC1	ZINC000590602701	398638697	/nfs/dbraw/zinc/63/86/97/398638697.db2.gz	PIRMFWQGVWKAPZ-UHFFFAOYSA-N	0	3	306.413	2.853	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000590631076	398642071	/nfs/dbraw/zinc/64/20/71/398642071.db2.gz	MJOBCIODSYMGEF-RKVPGOIHSA-N	0	3	301.434	2.546	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](COCCOC)C1	ZINC000093754801	398643479	/nfs/dbraw/zinc/64/34/79/398643479.db2.gz	OXEIVTIZSIJAMS-INIZCTEOSA-N	0	3	305.418	2.736	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@@H](Oc2ccncc2)C1	ZINC000093866098	398648746	/nfs/dbraw/zinc/64/87/46/398648746.db2.gz	AFYYWMQEPGGXQP-GOSISDBHSA-N	0	3	308.381	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc[nH]2)CC1	ZINC000265140314	186337636	/nfs/dbraw/zinc/33/76/36/186337636.db2.gz	MUVVBCJTKMFFOX-INIZCTEOSA-N	0	3	302.422	2.512	20	30		DFEDHN
N#CCc1ccnc(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1	ZINC000590679698	398650480	/nfs/dbraw/zinc/65/04/80/398650480.db2.gz	XWUMMRQACSJTBT-INIZCTEOSA-N	0	3	312.417	2.883	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCCc3sccc3C2)CC1	ZINC000593527251	398652431	/nfs/dbraw/zinc/65/24/31/398652431.db2.gz	QFINAEOLAAKVNE-UHFFFAOYSA-N	0	3	319.474	2.856	20	30		DFEDHN
Cc1ccncc1CN1CCCN(c2ccccc2C#N)CC1	ZINC000269585261	186391706	/nfs/dbraw/zinc/39/17/06/186391706.db2.gz	RCVXJLFMJFITPF-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
N#Cc1c(Cl)cccc1NC1CCN([C@H]2CCOC2)CC1	ZINC000590694391	398653588	/nfs/dbraw/zinc/65/35/88/398653588.db2.gz	HFZZKUAXGFMANS-ZDUSSCGKSA-N	0	3	305.809	2.877	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)Nc1ccc(C#N)cc1	ZINC000045029126	398659689	/nfs/dbraw/zinc/65/96/89/398659689.db2.gz	GEJWLHXRPIUPJI-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000590747514	398665160	/nfs/dbraw/zinc/66/51/60/398665160.db2.gz	ZQIZEQORFTWWIA-MRXNPFEDSA-N	0	3	313.445	2.980	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(c3cccc(F)c3)CC2)CC1	ZINC000172488349	198104835	/nfs/dbraw/zinc/10/48/35/198104835.db2.gz	BPERCKQUEFHRAL-UHFFFAOYSA-N	0	3	317.408	2.764	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000597606225	398667755	/nfs/dbraw/zinc/66/77/55/398667755.db2.gz	VIDNVJZFYGIWQJ-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3cscn3)CC2)c1	ZINC000593692314	398671732	/nfs/dbraw/zinc/67/17/32/398671732.db2.gz	AWORGVQGOHHAIW-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3cncs3)CC2)c1	ZINC000593692313	398671746	/nfs/dbraw/zinc/67/17/46/398671746.db2.gz	AVAMGPWOMMLSSH-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3nccs3)CC2)c1	ZINC000593693409	398672073	/nfs/dbraw/zinc/67/20/73/398672073.db2.gz	XUXZCQHPHRPDCF-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
COc1cccc2c1OC[C@@H](NCc1ccc(C#N)c(F)c1)C2	ZINC000590780078	398673030	/nfs/dbraw/zinc/67/30/30/398673030.db2.gz	NWDMAAIYUSSMDD-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccnn1C	ZINC000593723442	398677073	/nfs/dbraw/zinc/67/70/73/398677073.db2.gz	WARXKQAIUDLVGU-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21	ZINC000593724985	398678097	/nfs/dbraw/zinc/67/80/97/398678097.db2.gz	DGNWSIUUCMQFLP-QZTJIDSGSA-N	0	3	319.408	2.911	20	30		DFEDHN
C#C[C@@H](NC(=O)N(CC)Cc1ccc(CN(C)C)cc1)C(C)C	ZINC000280983697	334974940	/nfs/dbraw/zinc/97/49/40/334974940.db2.gz	BOCJZPYUWTYCOV-GOSISDBHSA-N	0	3	315.461	2.938	20	30		DFEDHN
CN1CC[C@]2(C1)CCCN(C(=O)c1cc(C#N)ccc1Cl)C2	ZINC000597711934	398684387	/nfs/dbraw/zinc/68/43/87/398684387.db2.gz	YDWUJXBKCMRUDM-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1[C@H](C)CC[C@H]1C	ZINC000105653592	398693716	/nfs/dbraw/zinc/69/37/16/398693716.db2.gz	MXXIECRHTDTREJ-UPJWGTAASA-N	0	3	303.381	2.575	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2Cc3ccccc32)CC1	ZINC000106275242	398696149	/nfs/dbraw/zinc/69/61/49/398696149.db2.gz	LLWZFHHRVRKAPI-MRXNPFEDSA-N	0	3	313.445	2.666	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2Cc3ccccc32)CC1	ZINC000106275239	398696386	/nfs/dbraw/zinc/69/63/86/398696386.db2.gz	LLWZFHHRVRKAPI-INIZCTEOSA-N	0	3	313.445	2.666	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000073722591	398696647	/nfs/dbraw/zinc/69/66/47/398696647.db2.gz	LILSIXRYUOWRDF-YOEHRIQHSA-N	0	3	316.449	2.895	20	30		DFEDHN
CC(C#N)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000593851217	398696897	/nfs/dbraw/zinc/69/68/97/398696897.db2.gz	RLENULFAMKCKJV-UGSOOPFHSA-N	0	3	316.401	2.562	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21	ZINC000593866823	398698276	/nfs/dbraw/zinc/69/82/76/398698276.db2.gz	PRWRWBRQCGLRMX-UGFHNGPFSA-N	0	3	314.385	2.833	20	30		DFEDHN
C[C@@H](NCc1ccnc(OCCN(C)C)c1)c1ccc(C#N)cc1	ZINC000182090905	199385845	/nfs/dbraw/zinc/38/58/45/199385845.db2.gz	PGCJFYRKFFBBHP-OAHLLOKOSA-N	0	3	324.428	2.744	20	30		DFEDHN
N#CC1(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1	ZINC000597828497	398702509	/nfs/dbraw/zinc/70/25/09/398702509.db2.gz	IXVUHJAUVBUXAL-HOTGVXAUSA-N	0	3	303.450	2.984	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](CNCc2ccc(C#N)o2)C1	ZINC000174327671	198319985	/nfs/dbraw/zinc/31/99/85/198319985.db2.gz	KQFGNFLYOSXNGG-AWEZNQCLSA-N	0	3	311.385	2.776	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCC(C)(C)CC#N	ZINC000590949142	398706536	/nfs/dbraw/zinc/70/65/36/398706536.db2.gz	PFOFVQNGDWPCNH-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
CO[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000597869920	398708789	/nfs/dbraw/zinc/70/87/89/398708789.db2.gz	JLSLFFIRVXKYTI-DLBZAZTESA-N	0	3	300.402	2.786	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1F)C(=O)CCCCC#N	ZINC000593974978	398712637	/nfs/dbraw/zinc/71/26/37/398712637.db2.gz	ZZQZBFQJVMQALE-UHFFFAOYSA-N	0	3	305.397	2.800	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)cc1	ZINC000046835920	398720127	/nfs/dbraw/zinc/72/01/27/398720127.db2.gz	WERTWDUYZHVWPD-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@@]1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000597925658	398722929	/nfs/dbraw/zinc/72/29/29/398722929.db2.gz	PJNJXPZWCNNMLF-LPHOPBHVSA-N	0	3	312.413	2.786	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1	ZINC000047011042	398732517	/nfs/dbraw/zinc/73/25/17/398732517.db2.gz	KPWWETPCPKNGBO-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC1CCN(CC=C)CC1	ZINC000272301305	209691005	/nfs/dbraw/zinc/69/10/05/209691005.db2.gz	DHDRNSBAGDVDPM-UHFFFAOYSA-N	0	3	317.433	2.670	20	30		DFEDHN
N#CCc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1	ZINC000594060593	398735519	/nfs/dbraw/zinc/73/55/19/398735519.db2.gz	VLQRXLDGKNBEKS-IAGOWNOFSA-N	0	3	312.417	2.891	20	30		DFEDHN
C[C@H](C#N)C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1	ZINC000598027687	398739510	/nfs/dbraw/zinc/73/95/10/398739510.db2.gz	MBKZCVIKSQHKJH-SNVBAGLBSA-N	0	3	314.414	2.989	20	30		DFEDHN
C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(C#N)s1	ZINC000131569085	283090221	/nfs/dbraw/zinc/09/02/21/283090221.db2.gz	GIKRIMQEEFUJEN-GFCCVEGCSA-N	0	3	324.409	2.508	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000249261434	283090799	/nfs/dbraw/zinc/09/07/99/283090799.db2.gz	HWTLFUZHMWSKSN-FUHWJXTLSA-N	0	3	323.440	2.533	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000598089443	398752101	/nfs/dbraw/zinc/75/21/01/398752101.db2.gz	VSENWWSHWQDHRM-UAGQMJEPSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1CC)C(C)C	ZINC000115799834	398756024	/nfs/dbraw/zinc/75/60/24/398756024.db2.gz	ABEPNWKFMRFOHE-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@H]1CC)C(C)C	ZINC000115799842	398756068	/nfs/dbraw/zinc/75/60/68/398756068.db2.gz	ABEPNWKFMRFOHE-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
CN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H]1c1ccccc1	ZINC000302716873	283142944	/nfs/dbraw/zinc/14/29/44/283142944.db2.gz	JWKABXRSLMOVPE-GUYCJALGSA-N	0	3	323.356	2.719	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1F	ZINC000365234211	283142506	/nfs/dbraw/zinc/14/25/06/283142506.db2.gz	MSENSRUACKZPOO-IBGZPJMESA-N	0	3	321.355	2.793	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1Cl	ZINC000594195160	398762559	/nfs/dbraw/zinc/76/25/59/398762559.db2.gz	CMWMDTNVQGPXBF-JKSUJKDBSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c(F)c1	ZINC000594195943	398762788	/nfs/dbraw/zinc/76/27/88/398762788.db2.gz	JJIYKRXOJNFYOJ-CABCVRRESA-N	0	3	319.355	2.583	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c(F)c1	ZINC000594195955	398762930	/nfs/dbraw/zinc/76/29/30/398762930.db2.gz	JJIYKRXOJNFYOJ-HUUCEWRRSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000594202817	398765143	/nfs/dbraw/zinc/76/51/43/398765143.db2.gz	SIEICXOZBJSEJC-MSOLQXFVSA-N	0	3	311.429	2.624	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@H](CNCc1ccc(C#N)cc1)C1CC1	ZINC000133686779	283158649	/nfs/dbraw/zinc/15/86/49/283158649.db2.gz	ZPLQAWXHPOJDNO-INIZCTEOSA-N	0	3	315.417	2.951	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCSC3)C2=O)cc1	ZINC000272864331	283159618	/nfs/dbraw/zinc/15/96/18/283159618.db2.gz	NMSALYVYNZVUED-HOCLYGCPSA-N	0	3	315.442	2.539	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-]	ZINC000290551133	283167208	/nfs/dbraw/zinc/16/72/08/283167208.db2.gz	JLWGFPRHSICXDH-HNNXBMFYSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12	ZINC000591602732	398775359	/nfs/dbraw/zinc/77/53/59/398775359.db2.gz	CVAKYFOMBLOPTE-CQSZACIVSA-N	0	3	318.808	2.501	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](CCF)C2)cc1	ZINC000598229729	398775719	/nfs/dbraw/zinc/77/57/19/398775719.db2.gz	SOEZRBCSEHSBBU-IRXDYDNUSA-N	0	3	313.376	2.839	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1	ZINC000591614894	398775978	/nfs/dbraw/zinc/77/59/78/398775978.db2.gz	BBIPQMCOQGWDIW-QGZVFWFLSA-N	0	3	301.390	2.553	20	30		DFEDHN
N#C[C@]1(C(=O)NCC2(c3cccs3)CCCCC2)CCNC1	ZINC000591614052	398775986	/nfs/dbraw/zinc/77/59/86/398775986.db2.gz	KAPXCBRUHPVIEC-QGZVFWFLSA-N	0	3	317.458	2.569	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N	ZINC000591608197	398776167	/nfs/dbraw/zinc/77/61/67/398776167.db2.gz	RUDGVPYJBLECLX-HOTGVXAUSA-N	0	3	315.417	2.770	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1Cl	ZINC000591593579	398774740	/nfs/dbraw/zinc/77/47/40/398774740.db2.gz	DIVXMARWQIQWOE-OAHLLOKOSA-N	0	3	307.781	2.569	20	30		DFEDHN
CC[C@@H]1CN(C(=O)[C@]2(C#N)CCNC2)CC[C@H]1c1ccccc1	ZINC000591625877	398776975	/nfs/dbraw/zinc/77/69/75/398776975.db2.gz	CWNMUEHXLYXMGX-SUMDDJOVSA-N	0	3	311.429	2.532	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1CCN(C)CC1	ZINC000594282663	398778931	/nfs/dbraw/zinc/77/89/31/398778931.db2.gz	JTGCJGHWEPDJAP-OAHLLOKOSA-N	0	3	313.445	2.537	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCc3c2cccc3-c2ccccc2)CCNC1	ZINC000591637972	398778033	/nfs/dbraw/zinc/77/80/33/398778033.db2.gz	IBUXEYDBPGFPKE-FQEVSTJZSA-N	0	3	317.392	2.746	20	30		DFEDHN
N#CCc1ccnc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)c1	ZINC000594319406	398782655	/nfs/dbraw/zinc/78/26/55/398782655.db2.gz	DECGYCBHNXWIQY-KRWDZBQOSA-N	0	3	320.396	2.608	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COc1ccccc1	ZINC000591763901	398785441	/nfs/dbraw/zinc/78/54/41/398785441.db2.gz	QIMCJQUMHWJFAA-APWZRJJASA-N	0	3	308.381	2.575	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@H]1CCc2cc(C#N)ccc21	ZINC000591763743	398785502	/nfs/dbraw/zinc/78/55/02/398785502.db2.gz	GUQSMYOUMCCZAL-HKUYNNGSSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F	ZINC000594425748	398797711	/nfs/dbraw/zinc/79/77/11/398797711.db2.gz	BQNGRIWBMNBKQQ-QWHCGFSZSA-N	0	3	313.323	2.817	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCSCc1ccccc1F	ZINC000594425426	398797821	/nfs/dbraw/zinc/79/78/21/398797821.db2.gz	IUJVUEMJNVJIQI-HNNXBMFYSA-N	0	3	323.437	2.586	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1cc2c(s1)CCCC2	ZINC000594425769	398797976	/nfs/dbraw/zinc/79/79/76/398797976.db2.gz	BYEUJYWVDRPZDO-AWEZNQCLSA-N	0	3	305.447	2.654	20	30		DFEDHN
CN(CCCCc1ccccc1)C(=O)[C@@H](N)CCCCC#N	ZINC000594426845	398797980	/nfs/dbraw/zinc/79/79/80/398797980.db2.gz	FUFJWTXVOKCQRL-KRWDZBQOSA-N	0	3	301.434	2.879	20	30		DFEDHN
CN(Cc1c(F)cccc1Cl)C(=O)[C@@H](N)CCCCC#N	ZINC000594425430	398797997	/nfs/dbraw/zinc/79/79/97/398797997.db2.gz	IWAFFZVBIXUPAD-AWEZNQCLSA-N	0	3	311.788	2.849	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000594424862	398798037	/nfs/dbraw/zinc/79/80/37/398798037.db2.gz	DBKVMLRIOCDGJS-ZDUSSCGKSA-N	0	3	313.323	2.733	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cccc(Br)c1	ZINC000594427008	398798859	/nfs/dbraw/zinc/79/88/59/398798859.db2.gz	SDQMZDKCNYZVQP-GFCCVEGCSA-N	0	3	310.195	2.799	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccco2)cs1	ZINC000594428895	398798901	/nfs/dbraw/zinc/79/89/01/398798901.db2.gz	PRBUJZWFDDADAC-JTQLQIEISA-N	0	3	304.375	2.753	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1	ZINC000594429547	398799442	/nfs/dbraw/zinc/79/94/42/398799442.db2.gz	UCYGNNQMYSXMAM-DLBZAZTESA-N	0	3	301.434	2.954	20	30		DFEDHN
Cc1[nH]c2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2c1C	ZINC000594431580	398799535	/nfs/dbraw/zinc/79/95/35/398799535.db2.gz	ODYUOBRVJHDBHK-INIZCTEOSA-N	0	3	312.417	2.812	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21	ZINC000594431625	398799604	/nfs/dbraw/zinc/79/96/04/398799604.db2.gz	PCOHRDRDOSOLRR-GJZGRUSLSA-N	0	3	305.809	2.855	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000594431626	398799698	/nfs/dbraw/zinc/79/96/98/398799698.db2.gz	PCOHRDRDOSOLRR-HUUCEWRRSA-N	0	3	305.809	2.855	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CCCCC#N	ZINC000594431383	398799848	/nfs/dbraw/zinc/79/98/48/398799848.db2.gz	LJYZXCQBQLNCHM-MRXNPFEDSA-N	0	3	303.381	2.752	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1	ZINC000594432502	398800204	/nfs/dbraw/zinc/80/02/04/398800204.db2.gz	BTWRERZBZCPNJW-GJZGRUSLSA-N	0	3	323.824	2.555	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(COCC)cc2)CC1	ZINC000075356289	398800229	/nfs/dbraw/zinc/80/02/29/398800229.db2.gz	FKYKKSOPVAVITQ-UHFFFAOYSA-N	0	3	300.402	2.507	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC[C@@H]1SCCc2ccccc21	ZINC000594433000	398800469	/nfs/dbraw/zinc/80/04/69/398800469.db2.gz	IYNAUUCYLHOZNU-CVEARBPZSA-N	0	3	317.458	2.544	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1c1nccs1	ZINC000594438357	398802273	/nfs/dbraw/zinc/80/22/73/398802273.db2.gz	OJMRSFLRTWCMOF-STQMWFEESA-N	0	3	306.435	2.608	20	30		DFEDHN
COc1ccccc1[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N	ZINC000594438526	398802278	/nfs/dbraw/zinc/80/22/78/398802278.db2.gz	OHQVILUHKQRJLX-HZPDHXFCSA-N	0	3	315.417	2.770	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000594435058	398801757	/nfs/dbraw/zinc/80/17/57/398801757.db2.gz	ZZCPPHKOXPVJKU-HNNXBMFYSA-N	0	3	305.397	2.631	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1nccs1	ZINC000594438354	398802037	/nfs/dbraw/zinc/80/20/37/398802037.db2.gz	OJMRSFLRTWCMOF-CHWSQXEVSA-N	0	3	306.435	2.608	20	30		DFEDHN
CN(C(=O)[C@@H](N)CCCCC#N)C1C2CC3CC(C2)CC1C3	ZINC000594437452	398802550	/nfs/dbraw/zinc/80/25/50/398802550.db2.gz	WDCYPAWMNFBOQG-IKXAHOJESA-N	0	3	303.450	2.681	20	30		DFEDHN
CN(C)c1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594441635	398803051	/nfs/dbraw/zinc/80/30/51/398803051.db2.gz	UAVNDRYRVPZPMT-GFCCVEGCSA-N	0	3	308.813	2.756	20	30		DFEDHN
C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594442293	398803190	/nfs/dbraw/zinc/80/31/90/398803190.db2.gz	CHGBRPXIXYOLRT-BLLLJJGKSA-N	0	3	303.381	2.683	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCc2cccc3ccccc32)CC1	ZINC000050032355	398803249	/nfs/dbraw/zinc/80/32/49/398803249.db2.gz	ZXCFSUWLWWQNLZ-UHFFFAOYSA-N	0	3	320.436	2.844	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCCOc2cc(F)ccc21	ZINC000594441995	398803310	/nfs/dbraw/zinc/80/33/10/398803310.db2.gz	AZAMOXWNDDNJRI-GJZGRUSLSA-N	0	3	319.380	2.567	20	30		DFEDHN
CC(C)Oc1cccc(CN(C)C(=O)[C@H](N)CCCCC#N)c1	ZINC000594442471	398803414	/nfs/dbraw/zinc/80/34/14/398803414.db2.gz	GUZLNEDYPDLQGM-QGZVFWFLSA-N	0	3	317.433	2.843	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCS[C@@H](c2ccccc2)C1	ZINC000594444486	398804080	/nfs/dbraw/zinc/80/40/80/398804080.db2.gz	NMYGLCYDVWJRNP-JKSUJKDBSA-N	0	3	317.458	2.714	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1	ZINC000594444519	398804125	/nfs/dbraw/zinc/80/41/25/398804125.db2.gz	RQARRBSAGASCRT-DLBZAZTESA-N	0	3	314.433	2.937	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCc1ccc(F)cc1Cl	ZINC000594445052	398804197	/nfs/dbraw/zinc/80/41/97/398804197.db2.gz	OFALIOHLSRJINB-AWEZNQCLSA-N	0	3	311.788	2.549	20	30		DFEDHN
Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594443381	398804278	/nfs/dbraw/zinc/80/42/78/398804278.db2.gz	PFLFRTCAHPLBKE-HNNXBMFYSA-N	0	3	311.389	2.531	20	30		DFEDHN
CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@@H](N)CCCCC#N	ZINC000594447222	398804672	/nfs/dbraw/zinc/80/46/72/398804672.db2.gz	VVPHQKRGESRTKY-AWEZNQCLSA-N	0	3	311.788	2.849	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(C)c1	ZINC000594446379	398804722	/nfs/dbraw/zinc/80/47/22/398804722.db2.gz	RZJKSFJJEWDCKJ-DOTOQJQBSA-N	0	3	317.433	2.680	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000594445092	398803729	/nfs/dbraw/zinc/80/37/29/398803729.db2.gz	PABRNMNQDIPCKY-UPJWGTAASA-N	0	3	319.371	2.883	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccccc1OC1CCC1	ZINC000594444106	398803738	/nfs/dbraw/zinc/80/37/38/398803738.db2.gz	KNPZAHYLKSLDAK-MRXNPFEDSA-N	0	3	315.417	2.645	20	30		DFEDHN
CCCOc1cc(F)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594445316	398804794	/nfs/dbraw/zinc/80/47/94/398804794.db2.gz	CZKOHKILNQLFFE-CYBMUJFWSA-N	0	3	307.369	2.964	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc([N+](=O)[O-])c1	ZINC000594445533	398804805	/nfs/dbraw/zinc/80/48/05/398804805.db2.gz	HCCZVGBVJDKIKM-GJZGRUSLSA-N	0	3	318.377	2.573	20	30		DFEDHN
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594456383	398806370	/nfs/dbraw/zinc/80/63/70/398806370.db2.gz	OCEZTBRFAWZVMG-GHMZBOCLSA-N	0	3	305.344	2.587	20	30		DFEDHN
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594456385	398806421	/nfs/dbraw/zinc/80/64/21/398806421.db2.gz	OCEZTBRFAWZVMG-QWRGUYRKSA-N	0	3	305.344	2.587	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCC(F)(F)CC1	ZINC000594455999	398805856	/nfs/dbraw/zinc/80/58/56/398805856.db2.gz	HEGOMCDTILYJSF-AAEUAGOBSA-N	0	3	301.381	2.728	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H](CO)CCOC)cc1	ZINC000281711697	334987317	/nfs/dbraw/zinc/98/73/17/334987317.db2.gz	TZSIHMBENKXYMF-HIFRSBDPSA-N	0	3	313.825	2.866	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)COC2)c1nnc2n1CCCCC2	ZINC000050206436	398806228	/nfs/dbraw/zinc/80/62/28/398806228.db2.gz	MZTRKWPPOJCYEJ-OAHLLOKOSA-N	0	3	322.368	2.525	20	30		DFEDHN
CC(C)N(C)c1ccccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594469594	398807774	/nfs/dbraw/zinc/80/77/74/398807774.db2.gz	AOKJBKZGKOYONE-CQSZACIVSA-N	0	3	302.422	2.881	20	30		DFEDHN
CC[C@@H](C)NC(=O)CCNCc1ccc(C(C)(C)C#N)cc1	ZINC000594494503	398808623	/nfs/dbraw/zinc/80/86/23/398808623.db2.gz	BYPMNZVJQVMGBA-CQSZACIVSA-N	0	3	301.434	2.882	20	30		DFEDHN
C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000594506425	398811874	/nfs/dbraw/zinc/81/18/74/398811874.db2.gz	QRBFESUHWKZMNR-CYBMUJFWSA-N	0	3	320.458	2.543	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594506005	398812009	/nfs/dbraw/zinc/81/20/09/398812009.db2.gz	IMOVDRXHJFIBHQ-DLBZAZTESA-N	0	3	318.461	2.735	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc3ccc(F)cc3c2)CC1	ZINC000179344170	199018292	/nfs/dbraw/zinc/01/82/92/199018292.db2.gz	XQOZNTWBYVSUFH-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc(Cl)nc2)CC1	ZINC000179344498	199018715	/nfs/dbraw/zinc/01/87/15/199018715.db2.gz	WAUSLUYJTFZWSC-GQCTYLIASA-N	0	3	305.809	2.515	20	30		DFEDHN
CC(C)[C@H](CNc1cc(Cl)ccc1C#N)N1CCN(C)CC1	ZINC000075640016	398814659	/nfs/dbraw/zinc/81/46/59/398814659.db2.gz	QNBZYRRXFNGIQP-KRWDZBQOSA-N	0	3	320.868	2.896	20	30		DFEDHN
CN(CCCCc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000052037414	398830481	/nfs/dbraw/zinc/83/04/81/398830481.db2.gz	HQCAJETVTBPASH-LJQANCHMSA-N	0	3	313.445	2.750	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC1CCN([C@@H]2CCOC2)CC1	ZINC000594605393	398830898	/nfs/dbraw/zinc/83/08/98/398830898.db2.gz	LZAJMWBUGXBJBA-MRXNPFEDSA-N	0	3	315.417	2.622	20	30		DFEDHN
Cc1nnc(NCC2CCN(c3ccncc3)CC2)c(C#N)c1C	ZINC000180045197	199111201	/nfs/dbraw/zinc/11/12/01/199111201.db2.gz	NBIWNMMKCIMSLI-UHFFFAOYSA-N	0	3	322.416	2.689	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(Oc2ccc(F)cc2)CC1	ZINC000598591852	398837854	/nfs/dbraw/zinc/83/78/54/398837854.db2.gz	DCUZQOGOGVSQOX-OAHLLOKOSA-N	0	3	320.408	2.970	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](Nc2ccccc2)C1	ZINC000598597754	398838383	/nfs/dbraw/zinc/83/83/83/398838383.db2.gz	HOFACVJLAIIYPF-DLBZAZTESA-N	0	3	301.434	2.864	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598599532	398839131	/nfs/dbraw/zinc/83/91/31/398839131.db2.gz	BZKXQPUSTXGVKX-GXTWGEPZSA-N	0	3	306.406	2.655	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC2(CC1)C(F)(F)C2(F)F	ZINC000598622324	398842858	/nfs/dbraw/zinc/84/28/58/398842858.db2.gz	HVNOKVFINZIMIS-JTQLQIEISA-N	0	3	308.319	2.654	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1	ZINC000598619909	398842952	/nfs/dbraw/zinc/84/29/52/398842952.db2.gz	PYSQURHOPCOPIJ-OLMMMNRUSA-N	0	3	320.477	2.957	20	30		DFEDHN
Cc1cccnc1OC1CCN(C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598614695	398841405	/nfs/dbraw/zinc/84/14/05/398841405.db2.gz	RNRJTDFUAHTPEL-OAHLLOKOSA-N	0	3	317.433	2.534	20	30		DFEDHN
CN(C[C@H](O)CC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1	ZINC000598620835	398842423	/nfs/dbraw/zinc/84/24/23/398842423.db2.gz	NWKRBBTXAVJTOF-HUUCEWRRSA-N	0	3	310.825	2.606	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)CCc1ccccn1	ZINC000152745597	283337195	/nfs/dbraw/zinc/33/71/95/283337195.db2.gz	SWEFAESTQQILTE-UHFFFAOYSA-N	0	3	314.414	2.518	20	30		DFEDHN
COc1cccc([C@@]2(C)CCN(C[C@@H](O)CC(C)(C)C#N)C2)c1	ZINC000598628671	398843394	/nfs/dbraw/zinc/84/33/94/398843394.db2.gz	XYENXKVWLNFCTM-LPHOPBHVSA-N	0	3	316.445	2.959	20	30		DFEDHN
C[C@@H](NCC1(S(C)(=O)=O)CCCCC1)c1cccc(C#N)c1	ZINC000594723424	398848767	/nfs/dbraw/zinc/84/87/67/398848767.db2.gz	ANDZHNKKPXYAIZ-CQSZACIVSA-N	0	3	320.458	2.956	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2F)CCCC1	ZINC000598666648	398851135	/nfs/dbraw/zinc/85/11/35/398851135.db2.gz	LKUMSVHITKRZPO-HNNXBMFYSA-N	0	3	321.371	2.871	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)c2c(c1)OCCO2	ZINC000598699183	398857203	/nfs/dbraw/zinc/85/72/03/398857203.db2.gz	CHZGUVVPVDOLRQ-LBPRGKRZSA-N	0	3	324.808	2.502	20	30		DFEDHN
C#CCCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000180449985	199160671	/nfs/dbraw/zinc/16/06/71/199160671.db2.gz	GAMPPDXBRZYCJA-INIZCTEOSA-N	0	3	313.445	2.917	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccnc3ccccc23)CC1	ZINC000076593080	398862768	/nfs/dbraw/zinc/86/27/68/398862768.db2.gz	IWIJXJNVABKMJY-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1	ZINC000598716198	398860582	/nfs/dbraw/zinc/86/05/82/398860582.db2.gz	ZYAGQTWSHYLOPK-MRXNPFEDSA-N	0	3	317.433	2.671	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000598721486	398861626	/nfs/dbraw/zinc/86/16/26/398861626.db2.gz	WFIMGTVFOUBODS-YESZJQIVSA-N	0	3	320.408	2.936	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000598721484	398861669	/nfs/dbraw/zinc/86/16/69/398861669.db2.gz	WFIMGTVFOUBODS-GVDBMIGSSA-N	0	3	320.408	2.936	20	30		DFEDHN
CC(C)(C)Oc1ccc(CNC[C@H](O)CC(C)(C)C#N)cn1	ZINC000598723080	398861697	/nfs/dbraw/zinc/86/16/97/398861697.db2.gz	DMXNYZAPCIFGCP-CQSZACIVSA-N	0	3	305.422	2.649	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](NCc1ccc(C3(C#N)CC3)cc1)CC2	ZINC000594921014	398871510	/nfs/dbraw/zinc/87/15/10/398871510.db2.gz	OWURFQAYSKVTSG-INIZCTEOSA-N	0	3	321.428	2.500	20	30		DFEDHN
Cn1nc(C(F)(F)F)cc1CNCCc1ccc(C#N)cc1	ZINC000594954404	398880168	/nfs/dbraw/zinc/88/01/68/398880168.db2.gz	GAVRPFQFMAENRW-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
C=CCCSCCNCc1cnnn1Cc1ccccc1	ZINC000594960597	398882097	/nfs/dbraw/zinc/88/20/97/398882097.db2.gz	VIBINAKEEGDCOO-UHFFFAOYSA-N	0	3	302.447	2.725	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc(C#N)cc2F)cn1	ZINC000594977920	398885787	/nfs/dbraw/zinc/88/57/87/398885787.db2.gz	CLSKVBLNZJOTJR-QAPCUYQASA-N	0	3	312.392	2.932	20	30		DFEDHN
CNC(=O)CC1(CNCc2ccc(C#N)cc2F)CCCCC1	ZINC000594997075	398888855	/nfs/dbraw/zinc/88/88/55/398888855.db2.gz	SDNIZDVLBIHKED-UHFFFAOYSA-N	0	3	317.408	2.874	20	30		DFEDHN
CN(CCNC(=O)c1cccc(CC#N)c1)Cc1ccccc1	ZINC000054265281	398894420	/nfs/dbraw/zinc/89/44/20/398894420.db2.gz	QMWOMSUXTKYOCY-UHFFFAOYSA-N	0	3	307.397	2.614	20	30		DFEDHN
COC[C@H](CC1CCOCC1)NC1(c2cccc(C#N)c2)CC1	ZINC000595029173	398895346	/nfs/dbraw/zinc/89/53/46/398895346.db2.gz	IOFLZUVKIUTTFH-SFHVURJKSA-N	0	3	314.429	2.969	20	30		DFEDHN
N#CCN1CCC(NCc2ccsc2C(F)(F)F)CC1	ZINC000598959866	398897842	/nfs/dbraw/zinc/89/78/42/398897842.db2.gz	IALBVEMKIBIBDK-UHFFFAOYSA-N	0	3	303.353	2.844	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1	ZINC000077456859	398904625	/nfs/dbraw/zinc/90/46/25/398904625.db2.gz	XFVSRUCWENYRHZ-RDJZCZTQSA-N	0	3	323.458	2.697	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCC(C)CC2)cc1	ZINC000077497877	398907195	/nfs/dbraw/zinc/90/71/95/398907195.db2.gz	BCMRWKFXZUYQEF-UHFFFAOYSA-N	0	3	302.418	2.713	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C	ZINC000187192806	200075703	/nfs/dbraw/zinc/07/57/03/200075703.db2.gz	KTMSHDSANICQHG-KBXCAEBGSA-N	0	3	307.397	2.979	20	30		DFEDHN
CC(C)n1c2ccccc2nc1NC(=O)[C@H](N)CCCCC#N	ZINC000595257701	398913489	/nfs/dbraw/zinc/91/34/89/398913489.db2.gz	OKCOWPCPXULQCL-CYBMUJFWSA-N	0	3	313.405	2.967	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)C[C@H]1NCc3ccccc31)C2	ZINC000595251383	398912850	/nfs/dbraw/zinc/91/28/50/398912850.db2.gz	URXDYSGTCGVYTJ-GOSISDBHSA-N	0	3	303.365	2.635	20	30		DFEDHN
N#CCCC[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1	ZINC000595267203	398914725	/nfs/dbraw/zinc/91/47/25/398914725.db2.gz	SCALSPVTWGTMGV-BZUAXINKSA-N	0	3	318.396	2.502	20	30		DFEDHN
CC[C@@H](CC(F)F)CN1CCN(c2ccc(C#N)cn2)CC1	ZINC000595295830	398917507	/nfs/dbraw/zinc/91/75/07/398917507.db2.gz	TXYBWDSMTZQGJZ-ZDUSSCGKSA-N	0	3	308.376	2.757	20	30		DFEDHN
N#Cc1ccc(CCN2CCCN(c3nccs3)CC2)cc1	ZINC000595294868	398917721	/nfs/dbraw/zinc/91/77/21/398917721.db2.gz	SOSNEEPWOLAALQ-UHFFFAOYSA-N	0	3	312.442	2.770	20	30		DFEDHN
C=CCCOCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000150156863	398920116	/nfs/dbraw/zinc/92/01/16/398920116.db2.gz	OPTGPCCFSFIQNW-UHFFFAOYSA-N	0	3	316.445	2.668	20	30		DFEDHN
Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)co1	ZINC000188403619	200240495	/nfs/dbraw/zinc/24/04/95/200240495.db2.gz	SQEBRCIFHRPLDT-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
CCOCCN1CCN(CCc2ccc(C#N)cc2)C[C@H]1CC	ZINC000595313799	398920966	/nfs/dbraw/zinc/92/09/66/398920966.db2.gz	YVCATUDJUBFMDW-LJQANCHMSA-N	0	3	315.461	2.533	20	30		DFEDHN
CC(C)[C@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1	ZINC000055260704	398925397	/nfs/dbraw/zinc/92/53/97/398925397.db2.gz	PRSSTDPRNOFJLN-KRWDZBQOSA-N	0	3	313.445	2.735	20	30		DFEDHN
CC[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000188884274	200317114	/nfs/dbraw/zinc/31/71/14/200317114.db2.gz	VTCXFIVSIOMYJB-HNNXBMFYSA-N	0	3	301.434	2.885	20	30		DFEDHN
CCC[C@H]1CN(CCc2ccc(C#N)cc2)CCN1CCOC	ZINC000595405580	398932781	/nfs/dbraw/zinc/93/27/81/398932781.db2.gz	YIPQMVYQQRQCTH-IBGZPJMESA-N	0	3	315.461	2.533	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC[C@H](CC#N)C1)N1CCCCC1	ZINC000595428301	398936210	/nfs/dbraw/zinc/93/62/10/398936210.db2.gz	XFFWKHKVWAAUMM-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCSCCNC(=O)NCc1cccc(CN(C)C)c1	ZINC000595446031	398939979	/nfs/dbraw/zinc/93/99/79/398939979.db2.gz	BEOZFDGBFJLVGY-UHFFFAOYSA-N	0	3	321.490	2.857	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C[C@@H](O)CC1(C#N)CC1	ZINC000599262003	398944004	/nfs/dbraw/zinc/94/40/04/398944004.db2.gz	ZYUFAVNKXRPYNI-AWEZNQCLSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2ccccc2)C2CC2)CCOCC1	ZINC000599260376	398944009	/nfs/dbraw/zinc/94/40/09/398944009.db2.gz	ZOUFOFYNPVKTNA-SFHVURJKSA-N	0	3	314.429	2.722	20	30		DFEDHN
CC(C)[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F	ZINC000595483088	398947980	/nfs/dbraw/zinc/94/79/80/398947980.db2.gz	RBFRMMGOAXRHAP-STQMWFEESA-N	0	3	304.287	2.735	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1C#N	ZINC000599294203	398948723	/nfs/dbraw/zinc/94/87/23/398948723.db2.gz	CRZHYCKPWLQYKR-INIZCTEOSA-N	0	3	321.428	2.784	20	30		DFEDHN
Cc1nc(C2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)sc1C	ZINC000599279593	398947329	/nfs/dbraw/zinc/94/73/29/398947329.db2.gz	VLEAZBUNFASXMR-HNNXBMFYSA-N	0	3	319.474	2.994	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@](O)(C(F)(F)F)CC2)cc1	ZINC000595483355	398947594	/nfs/dbraw/zinc/94/75/94/398947594.db2.gz	LQXGKSPIMPUSNC-OAHLLOKOSA-N	0	3	312.335	2.880	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1	ZINC000595495825	398949524	/nfs/dbraw/zinc/94/95/24/398949524.db2.gz	TZZBMZYIZADLSV-AEFFLSMTSA-N	0	3	314.433	2.543	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CNC1(c2ccccc2)CC1	ZINC000599350735	398958765	/nfs/dbraw/zinc/95/87/65/398958765.db2.gz	YYSYMRMNQUQQRX-KRWDZBQOSA-N	0	3	308.381	2.577	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000599354269	398959802	/nfs/dbraw/zinc/95/98/02/398959802.db2.gz	OSLHSZWINBODFB-GOEBONIOSA-N	0	3	320.408	2.856	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1[N+](=O)[O-]	ZINC000599354159	398959873	/nfs/dbraw/zinc/95/98/73/398959873.db2.gz	NCICJTHRQWSQPK-JSGCOSHPSA-N	0	3	303.362	2.609	20	30		DFEDHN
CC(C)(NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1	ZINC000599356969	398961813	/nfs/dbraw/zinc/96/18/13/398961813.db2.gz	PNSHSURNCWVKKE-INIZCTEOSA-N	0	3	320.408	2.722	20	30		DFEDHN
N#Cc1cccnc1NCc1ccccc1CN1CCC(O)CC1	ZINC000078515551	398962498	/nfs/dbraw/zinc/96/24/98/398962498.db2.gz	XVWMUVAYJJNMJU-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CC(=O)Nc1cccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1	ZINC000193430092	201050686	/nfs/dbraw/zinc/05/06/86/201050686.db2.gz	WHNJCOIDZXZUOT-DJJJIMSYSA-N	0	3	323.396	2.901	20	30		DFEDHN
CC(C)(C#N)CCN(Cc1ccccc1)[C@@]1(CO)CCOC1	ZINC000599395486	398972993	/nfs/dbraw/zinc/97/29/93/398972993.db2.gz	DTTOHPHWQWXCBD-GOSISDBHSA-N	0	3	302.418	2.580	20	30		DFEDHN
Cc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1C#N	ZINC000599432234	398980601	/nfs/dbraw/zinc/98/06/01/398980601.db2.gz	MVTAZLOFIBSWBY-FUHWJXTLSA-N	0	3	319.408	2.648	20	30		DFEDHN
CS[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H]1N(C)C	ZINC000613430545	398982934	/nfs/dbraw/zinc/98/29/34/398982934.db2.gz	ASVXDSBEWUPMAI-ZIAGYGMSSA-N	0	3	318.490	2.733	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1ccc(C)c(C#N)c1	ZINC000599458083	398987877	/nfs/dbraw/zinc/98/78/77/398987877.db2.gz	OCAMSILIZGTMJV-MSOLQXFVSA-N	0	3	310.401	2.528	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC3(C=Cc4ccccc4O3)CC2)CC1	ZINC000599480762	398991557	/nfs/dbraw/zinc/99/15/57/398991557.db2.gz	FPIZVEBAADVLSV-QGZVFWFLSA-N	0	3	324.424	2.982	20	30		DFEDHN
Cc1cc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c(C)o1	ZINC000195269243	201369780	/nfs/dbraw/zinc/36/97/80/201369780.db2.gz	HZBNYBJUAWTRIZ-CZUORRHYSA-N	0	3	314.385	2.859	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@H](CC#N)C1	ZINC000595609172	398997233	/nfs/dbraw/zinc/99/72/33/398997233.db2.gz	HMUQSRCOSDUVHG-IAGOWNOFSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(Oc3cccc(F)c3)CC2)CC1	ZINC000599507068	398997730	/nfs/dbraw/zinc/99/77/30/398997730.db2.gz	NHLCFAUCSOYTEF-OAHLLOKOSA-N	0	3	318.392	2.724	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1	ZINC000595611544	398998866	/nfs/dbraw/zinc/99/88/66/398998866.db2.gz	KOTZEEMRQJYYSY-CQSZACIVSA-N	0	3	319.836	2.972	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)C1(F)F	ZINC000599512870	399000552	/nfs/dbraw/zinc/00/05/52/399000552.db2.gz	OQJOXGVCZVKWJN-UMVBOHGHSA-N	0	3	324.371	2.521	20	30		DFEDHN
C=CC[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000599530502	399003941	/nfs/dbraw/zinc/00/39/41/399003941.db2.gz	YVSYVDSRZUWXFN-AEFFLSMTSA-N	0	3	309.413	2.952	20	30		DFEDHN
C=CCCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000605149683	399004241	/nfs/dbraw/zinc/00/42/41/399004241.db2.gz	RSSLLBGDCTVFLU-UHFFFAOYSA-N	0	3	302.418	2.542	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cn[nH]c1	ZINC000271831671	209251405	/nfs/dbraw/zinc/25/14/05/209251405.db2.gz	FDAGTDZJDOFRSS-CQSZACIVSA-N	0	3	309.417	2.597	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1	ZINC000271818953	209242966	/nfs/dbraw/zinc/24/29/66/209242966.db2.gz	CCEJYLFSJQESED-KYNGSXCRSA-N	0	3	310.397	2.693	20	30		DFEDHN
COc1ccc(C(C)(C)NC[C@@H](O)CC(C)(C)C#N)cc1F	ZINC000599598741	399026158	/nfs/dbraw/zinc/02/61/58/399026158.db2.gz	SRXGIXAOOKOJCR-ZDUSSCGKSA-N	0	3	308.397	2.960	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)cc1Cl	ZINC000367066580	299360795	/nfs/dbraw/zinc/36/07/95/299360795.db2.gz	JUHNNADZDVGPIL-FGDXXIHYSA-N	0	3	317.820	2.919	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000595705662	399047570	/nfs/dbraw/zinc/04/75/70/399047570.db2.gz	XNPBINVRUZSVOI-INIZCTEOSA-N	0	3	314.433	2.572	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000079495772	399049706	/nfs/dbraw/zinc/04/97/06/399049706.db2.gz	PECSITHQQUAEMS-RHSMWYFYSA-N	0	3	316.449	2.895	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H](C)CN1CCC(C)CC1	ZINC000595722937	399054408	/nfs/dbraw/zinc/05/44/08/399054408.db2.gz	KBGYNGUGTYBDFP-HNNXBMFYSA-N	0	3	313.511	2.715	20	30		DFEDHN
COc1ccc([C@H]2CCN(C[C@H](O)CC3(C#N)CC3)C2)cc1F	ZINC000599674727	399056082	/nfs/dbraw/zinc/05/60/82/399056082.db2.gz	CBVCKKAHSDTNDN-LSDHHAIUSA-N	0	3	318.392	2.678	20	30		DFEDHN
N#CCCOCCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000599678213	399058922	/nfs/dbraw/zinc/05/89/22/399058922.db2.gz	JQFFCKJOXQPTSZ-AWEZNQCLSA-N	0	3	317.216	2.937	20	30		DFEDHN
COC(=O)C1C[C@@H](C)N(CCc2ccc(C#N)cc2)[C@H](C)C1	ZINC000599692494	399065467	/nfs/dbraw/zinc/06/54/67/399065467.db2.gz	UHOFLEHDJHKMEG-ZIAGYGMSSA-N	0	3	300.402	2.763	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000595744925	399067672	/nfs/dbraw/zinc/06/76/72/399067672.db2.gz	WCBODNNUDRHPPG-DOTOQJQBSA-N	0	3	311.429	2.588	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000595744927	399067722	/nfs/dbraw/zinc/06/77/22/399067722.db2.gz	WCBODNNUDRHPPG-RDJZCZTQSA-N	0	3	311.429	2.588	20	30		DFEDHN
C#CC[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1	ZINC000271761072	209190348	/nfs/dbraw/zinc/19/03/48/209190348.db2.gz	ZNMKPMMVXOEGHC-IEBWSBKVSA-N	0	3	313.372	2.920	20	30		DFEDHN
N#Cc1cccc(C2(NCc3ccc(CO)cc3)CCOCC2)c1	ZINC000595764709	399075887	/nfs/dbraw/zinc/07/58/87/399075887.db2.gz	LZPFBXIPAXFZMR-UHFFFAOYSA-N	0	3	322.408	2.846	20	30		DFEDHN
C=CCC1(NCC(=O)Nc2ccsc2C(=O)OC)CCCC1	ZINC000595780678	399083164	/nfs/dbraw/zinc/08/31/64/399083164.db2.gz	ZTJWKMWIQFVLMI-UHFFFAOYSA-N	0	3	322.430	2.952	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cc(F)ccc32)CC1	ZINC000283674638	335007612	/nfs/dbraw/zinc/00/76/12/335007612.db2.gz	MKPKNINKHXYBLC-UHFFFAOYSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1	ZINC000284217565	335010533	/nfs/dbraw/zinc/01/05/33/335010533.db2.gz	UEZORKKYWMODDT-LJQANCHMSA-N	0	3	300.446	2.930	20	30		DFEDHN
C[C@H](O)[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000183154865	335012580	/nfs/dbraw/zinc/01/25/80/335012580.db2.gz	BTFLWBXKDCNLEJ-JSGCOSHPSA-N	0	3	313.319	2.639	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000595840527	399107817	/nfs/dbraw/zinc/10/78/17/399107817.db2.gz	BYNKFNRRHLEMQO-LVQVYYBASA-N	0	3	319.449	2.574	20	30		DFEDHN
C=CCC[C@H](C(=O)NCCN(C)CCCOC)c1ccccc1	ZINC000275095069	212117168	/nfs/dbraw/zinc/11/71/68/212117168.db2.gz	CCQGWTDVWLIEMK-SFHVURJKSA-N	0	3	318.461	2.821	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000595845455	399111411	/nfs/dbraw/zinc/11/14/11/399111411.db2.gz	OOTQMBPJIHUCSD-ZNMIVQPWSA-N	0	3	313.426	2.908	20	30		DFEDHN
Cc1cccn2c(CNCCOc3ccc(C#N)cc3)cnc12	ZINC000174561023	399114470	/nfs/dbraw/zinc/11/44/70/399114470.db2.gz	COGLVQOZMLBARN-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
C[C@]1(Cc2cccc3ccccc32)CCCN1CC(=O)NCC#N	ZINC000595863439	399116840	/nfs/dbraw/zinc/11/68/40/399116840.db2.gz	GVVLZSLQQRMUQH-HXUWFJFHSA-N	0	3	321.424	2.877	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CCc2ccccc21	ZINC000595878365	399120072	/nfs/dbraw/zinc/12/00/72/399120072.db2.gz	NPBAGXQQZNKCPE-GOEBONIOSA-N	0	3	311.429	2.599	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2csc(Br)c2)CC1	ZINC000600716503	399121996	/nfs/dbraw/zinc/12/19/96/399121996.db2.gz	GPKQKZFGAPCRCS-JTQLQIEISA-N	0	3	315.236	2.655	20	30		DFEDHN
CC(C)[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1	ZINC000600719803	399123122	/nfs/dbraw/zinc/12/31/22/399123122.db2.gz	WQJXKXFPBWBPFP-CJNGLKHVSA-N	0	3	312.417	2.904	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCCOc3cc(F)ccc32)CC1	ZINC000600731969	399127571	/nfs/dbraw/zinc/12/75/71/399127571.db2.gz	OIZHZDYEWJTVHC-HIFRSBDPSA-N	0	3	304.365	2.684	20	30		DFEDHN
N#CC1(C[C@H](O)CNC[C@@H](c2ccccc2)C(F)(F)F)CC1	ZINC000600733433	399129259	/nfs/dbraw/zinc/12/92/59/399129259.db2.gz	CVOVBFISLSTNOR-KBPBESRZSA-N	0	3	312.335	2.977	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(O)(CNCC2(C#N)CCC2)CC1	ZINC000600737365	399130125	/nfs/dbraw/zinc/13/01/25/399130125.db2.gz	USRILLPATJVTJY-UHFFFAOYSA-N	0	3	322.449	2.533	20	30		DFEDHN
CC[C@@H](CC(F)(F)F)NC[C@H](O)COc1ccccc1C#N	ZINC000600736146	399130239	/nfs/dbraw/zinc/13/02/39/399130239.db2.gz	QVPZEIIYPPHIAL-STQMWFEESA-N	0	3	316.323	2.619	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C	ZINC000263873362	203612389	/nfs/dbraw/zinc/61/23/89/203612389.db2.gz	HGGVAOMCOMNVHP-QGZVFWFLSA-N	0	3	314.433	2.572	20	30		DFEDHN
CCc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1	ZINC000600747795	399133955	/nfs/dbraw/zinc/13/39/55/399133955.db2.gz	KSCBKXVDFLPVHY-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C	ZINC000180796719	399135200	/nfs/dbraw/zinc/13/52/00/399135200.db2.gz	GXXMUSBZMAZSRH-MRXNPFEDSA-N	0	3	317.433	2.684	20	30		DFEDHN
CC(C#N)C(=O)N1CC(Cc2ccccc2Br)C1	ZINC000600755414	399136616	/nfs/dbraw/zinc/13/66/16/399136616.db2.gz	JXPOZJFYPDXODP-SNVBAGLBSA-N	0	3	307.191	2.610	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1	ZINC000274903019	212021640	/nfs/dbraw/zinc/02/16/40/212021640.db2.gz	HORXMWWDENDCHX-HNNXBMFYSA-N	0	3	315.369	2.760	20	30		DFEDHN
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](N)CCCCC#N)CC3	ZINC000595972838	399143014	/nfs/dbraw/zinc/14/30/14/399143014.db2.gz	YPQJEYANYYIAFG-MRXNPFEDSA-N	0	3	324.428	2.772	20	30		DFEDHN
CC(C)(NC(=O)[C@H]1CNCc2ccccc21)c1cccc(C#N)c1	ZINC000595962325	399141738	/nfs/dbraw/zinc/14/17/38/399141738.db2.gz	ZVINRSASOXREKB-SFHVURJKSA-N	0	3	319.408	2.797	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C#N)c1ccccc1	ZINC000182350887	399144400	/nfs/dbraw/zinc/14/44/00/399144400.db2.gz	MMPRUWHLRZDDNH-HOCLYGCPSA-N	0	3	302.422	2.528	20	30		DFEDHN
N#Cc1cc(-c2ccc(CN3CCC[C@@H]3C[NH3+])cc2)ccc1[O-]	ZINC000600779555	399143399	/nfs/dbraw/zinc/14/33/99/399143399.db2.gz	GLAWBOGKUKZBQZ-GOSISDBHSA-N	0	3	307.397	2.854	20	30		DFEDHN
N#Cc1cc(-c2ccc(CN3CCC([NH3+])CC3)cc2)ccc1[O-]	ZINC000600779652	399143432	/nfs/dbraw/zinc/14/34/32/399143432.db2.gz	IECSPLGXANDZCV-UHFFFAOYSA-N	0	3	307.397	2.854	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1	ZINC000264671966	204069691	/nfs/dbraw/zinc/06/96/91/204069691.db2.gz	WRQWUEMXKYSNKC-QGZVFWFLSA-N	0	3	312.457	2.696	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)N(C)C	ZINC000264766934	204141296	/nfs/dbraw/zinc/14/12/96/204141296.db2.gz	RGLFULALWVDXON-HNNXBMFYSA-N	0	3	322.412	2.553	20	30		DFEDHN
CCn1nccc1CNC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000596062852	399160129	/nfs/dbraw/zinc/16/01/29/399160129.db2.gz	SJWLIACYNXKKNQ-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
C=CCOCCN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000618573870	399165020	/nfs/dbraw/zinc/16/50/20/399165020.db2.gz	HSFSRBNKXBRKNI-ZDUSSCGKSA-N	0	3	307.390	2.934	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)CC2	ZINC000614166839	399168212	/nfs/dbraw/zinc/16/82/12/399168212.db2.gz	ZHSNGQMYSKGATE-INIZCTEOSA-N	0	3	323.444	2.746	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000614176175	399170222	/nfs/dbraw/zinc/17/02/22/399170222.db2.gz	PPXKJRGRIPTYAP-KRWDZBQOSA-N	0	3	323.444	2.991	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1	ZINC000614178447	399170279	/nfs/dbraw/zinc/17/02/79/399170279.db2.gz	DCRIKAYYVCRJIL-KRWDZBQOSA-N	0	3	311.429	2.684	20	30		DFEDHN
CN(C)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000596101277	399173305	/nfs/dbraw/zinc/17/33/05/399173305.db2.gz	GDJBUWKSTSIEEJ-IKGGRYGDSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)cc1C#N	ZINC000614205728	399174787	/nfs/dbraw/zinc/17/47/87/399174787.db2.gz	AOWJYIRNSKQHGU-CXAGYDPISA-N	0	3	319.836	2.948	20	30		DFEDHN
CN(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1	ZINC000282681026	217172067	/nfs/dbraw/zinc/17/20/67/217172067.db2.gz	KKEWFCHLCNCXLO-QGZVFWFLSA-N	0	3	316.836	2.943	20	30		DFEDHN
Cc1[nH]nc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1C#N	ZINC000288264655	220051064	/nfs/dbraw/zinc/05/10/64/220051064.db2.gz	VBFYEINLXZRECQ-UHFFFAOYSA-N	0	3	323.400	2.828	20	30		DFEDHN
COc1cccc(C2(NC[C@@H](O)c3ccc(C#N)cc3)CC2)c1	ZINC000271707631	209142967	/nfs/dbraw/zinc/14/29/67/209142967.db2.gz	MZHPPISYSYPESK-GOSISDBHSA-N	0	3	308.381	2.879	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2c(C#N)cnn2C)CC1	ZINC000596132874	399184663	/nfs/dbraw/zinc/18/46/63/399184663.db2.gz	SKWHWLUKXGLVSG-AWEZNQCLSA-N	0	3	309.417	2.929	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596133573	399184677	/nfs/dbraw/zinc/18/46/77/399184677.db2.gz	IKCNFJGOJSSYQI-CRAIPNDOSA-N	0	3	321.428	2.838	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(O)c1	ZINC000080921660	399188444	/nfs/dbraw/zinc/18/84/44/399188444.db2.gz	OHHFODGQYGKJFQ-UHFFFAOYSA-N	0	3	309.369	2.724	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CC[C@@H](Cc2ccccc2)C1	ZINC000607739633	399190524	/nfs/dbraw/zinc/19/05/24/399190524.db2.gz	ORGOECSRZSJBOQ-SFHVURJKSA-N	0	3	300.446	2.976	20	30		DFEDHN
CN(CCNC(=O)c1ccccc1CC#N)Cc1ccccc1	ZINC000601010111	399202154	/nfs/dbraw/zinc/20/21/54/399202154.db2.gz	JKDMKGWCUURYRY-UHFFFAOYSA-N	0	3	307.397	2.614	20	30		DFEDHN
N#Cc1cc(=[NH+]Cc2cn3ccsc3n2)c2ccccc2[n-]1	ZINC000618673963	399206556	/nfs/dbraw/zinc/20/65/56/399206556.db2.gz	KMQPTYQVTJDZOX-UHFFFAOYSA-N	0	3	305.366	2.850	20	30		DFEDHN
CN(C)[C@@]1(CNc2nc(Cl)c(C#N)s2)CCSC1	ZINC000288446358	220147787	/nfs/dbraw/zinc/14/77/87/220147787.db2.gz	PCVNJNLYAHQORN-LLVKDONJSA-N	0	3	302.856	2.517	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000081123998	399212465	/nfs/dbraw/zinc/21/24/65/399212465.db2.gz	PLLUOSVHLAXWIA-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
C#CCCCC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000192016806	335022227	/nfs/dbraw/zinc/02/22/27/335022227.db2.gz	OVEHAOHUCXOBDU-UHFFFAOYSA-N	0	3	312.457	2.957	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](CC)c2ccc(OC)c(OC)c2)C1=O	ZINC000285256988	335022302	/nfs/dbraw/zinc/02/23/02/335022302.db2.gz	XCZZTSHLUFZKRA-CABCVRRESA-N	0	3	318.417	2.531	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000267380512	206026221	/nfs/dbraw/zinc/02/62/21/206026221.db2.gz	LHDBZOSSUUSFJI-XJKSGUPXSA-N	0	3	321.852	2.949	20	30		DFEDHN
Cc1cc(CNC2CCC(Oc3ncccc3C#N)CC2)on1	ZINC000601116977	399231596	/nfs/dbraw/zinc/23/15/96/399231596.db2.gz	UBLDJTDTEUFGDN-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N1CCCCCC1	ZINC000618788913	399236515	/nfs/dbraw/zinc/23/65/15/399236515.db2.gz	CRWUVYHAVQCTDO-RDTXWAMCSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)c1ncc(C#N)c2ccsc21	ZINC000601126545	399235039	/nfs/dbraw/zinc/23/50/39/399235039.db2.gz	SYNQWKRJROZDCZ-SMDDNHRTSA-N	0	3	300.431	2.944	20	30		DFEDHN
C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)c(F)c1	ZINC000601152852	399242594	/nfs/dbraw/zinc/24/25/94/399242594.db2.gz	HNLZCCJXZIHRRS-SFHVURJKSA-N	0	3	316.351	2.920	20	30		DFEDHN
CN1CCC(n2cc(NCc3cc(C#N)cs3)cn2)CC1	ZINC000601150631	399241861	/nfs/dbraw/zinc/24/18/61/399241861.db2.gz	ZXWUAGZFZJPOKW-UHFFFAOYSA-N	0	3	301.419	2.695	20	30		DFEDHN
COc1cc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1C#N	ZINC000601150814	399241981	/nfs/dbraw/zinc/24/19/81/399241981.db2.gz	DXDFHRJJNOHSTH-KBPBESRZSA-N	0	3	316.323	2.604	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1F	ZINC000614583822	399249570	/nfs/dbraw/zinc/24/95/70/399249570.db2.gz	LRCCPKLMYULMAH-LJQANCHMSA-N	0	3	321.355	2.793	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000618891659	399252914	/nfs/dbraw/zinc/25/29/14/399252914.db2.gz	BMNUYALROQGGGW-QZTJIDSGSA-N	0	3	309.413	2.536	20	30		DFEDHN
CN1CCC(n2cc(NC(=O)Nc3ccc(C#N)cc3)cn2)CC1	ZINC000601237930	399262065	/nfs/dbraw/zinc/26/20/65/399262065.db2.gz	OYNMSUFLPCWVAI-UHFFFAOYSA-N	0	3	324.388	2.665	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1	ZINC000601239528	399262590	/nfs/dbraw/zinc/26/25/90/399262590.db2.gz	MJFJELCIRFTCOV-ZBFHGGJFSA-N	0	3	300.406	2.904	20	30		DFEDHN
CN1CCC(n2cc(NC(=O)Nc3cccc(C#N)c3)cn2)CC1	ZINC000601237662	399261860	/nfs/dbraw/zinc/26/18/60/399261860.db2.gz	JUKYTNUQPIRUAR-UHFFFAOYSA-N	0	3	324.388	2.665	20	30		DFEDHN
CC(=O)Nc1ccn([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)n1	ZINC000614740433	399265183	/nfs/dbraw/zinc/26/51/83/399265183.db2.gz	GSLMBEMZFDOEEP-SUMWQHHRSA-N	0	3	323.400	2.721	20	30		DFEDHN
COC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCCO1	ZINC000618992045	399272553	/nfs/dbraw/zinc/27/25/53/399272553.db2.gz	CQDGWVNYERIIBW-BZSNNMDCSA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C2(C#N)CC3(CC3)C2)CN1Cc1ccccc1	ZINC000601308774	399274222	/nfs/dbraw/zinc/27/42/22/399274222.db2.gz	DEBWDHPNQHIPHU-WBVHZDCISA-N	0	3	323.440	2.850	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)CN1Cc1ccccc1	ZINC000601308770	399274440	/nfs/dbraw/zinc/27/44/40/399274440.db2.gz	DEBWDHPNQHIPHU-DOTOQJQBSA-N	0	3	323.440	2.850	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601382679	399284372	/nfs/dbraw/zinc/28/43/72/399284372.db2.gz	FSTKWLABSGFTJB-MOPGFXCFSA-N	0	3	319.408	2.928	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000119687621	291669515	/nfs/dbraw/zinc/66/95/15/291669515.db2.gz	ANZSCXRWMOBRJA-KRWDZBQOSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#Cc1cccc(CNCc2ccc(-n3cncn3)c(F)c2)c1	ZINC000608982218	399302141	/nfs/dbraw/zinc/30/21/41/399302141.db2.gz	BZMRDUVCVDVLNV-UHFFFAOYSA-N	0	3	307.332	2.568	20	30		DFEDHN
C[C@H](C#N)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C	ZINC000609413106	399317773	/nfs/dbraw/zinc/31/77/73/399317773.db2.gz	HHYOHDBWOXNUGY-HUUCEWRRSA-N	0	3	315.417	2.582	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CC2(CC2)C1	ZINC000601680700	399319921	/nfs/dbraw/zinc/31/99/21/399319921.db2.gz	SVEUAZMYUZQZHY-OAHLLOKOSA-N	0	3	301.434	2.594	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000609574081	399323750	/nfs/dbraw/zinc/32/37/50/399323750.db2.gz	MUVZLMYAFGTJMA-ZWNOBZJWSA-N	0	3	312.200	2.626	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NCCN(CC)C2CC2)cc1	ZINC000287240125	335042008	/nfs/dbraw/zinc/04/20/08/335042008.db2.gz	GUSDDBZRVINSTQ-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000610002598	399338723	/nfs/dbraw/zinc/33/87/23/399338723.db2.gz	WIXCENRNXSZAKR-APWZRJJASA-N	0	3	313.445	2.806	20	30		DFEDHN
CN(C(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[C@@H]1C#N	ZINC000601815888	399341795	/nfs/dbraw/zinc/34/17/95/399341795.db2.gz	FZTYVUWAHWGJGP-SJLPKXTDSA-N	0	3	311.429	2.585	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2CC#N)CCN1C	ZINC000610178139	399345502	/nfs/dbraw/zinc/34/55/02/399345502.db2.gz	QQLXHGLKPPCTHL-ZBFHGGJFSA-N	0	3	324.428	2.720	20	30		DFEDHN
CC(C)n1cc([C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2CO)cn1	ZINC000284643336	218113573	/nfs/dbraw/zinc/11/35/73/218113573.db2.gz	OVYKCEGMTKXZCM-OALUTQOASA-N	0	3	324.428	2.544	20	30		DFEDHN
Cc1cc(CNC2CCN(CC#N)CC2)c(OC(F)F)cc1C	ZINC000610270924	399351587	/nfs/dbraw/zinc/35/15/87/399351587.db2.gz	PVEZHJOJABOLQQ-UHFFFAOYSA-N	0	3	323.387	2.982	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000610271772	399352049	/nfs/dbraw/zinc/35/20/49/399352049.db2.gz	CKCMQUCONASXAY-CJNGLKHVSA-N	0	3	303.406	2.524	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000610348536	399359173	/nfs/dbraw/zinc/35/91/73/399359173.db2.gz	RIBORZIASGUENP-CABCVRRESA-N	0	3	314.433	2.650	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN[C@@H]2CCc3ccccc32)cc1	ZINC000619558355	399362196	/nfs/dbraw/zinc/36/21/96/399362196.db2.gz	HQAURRSBMCHMEF-YLJYHZDGSA-N	0	3	322.408	2.769	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CC2(CCC2)[C@H]1C1CC1	ZINC000601958557	399369403	/nfs/dbraw/zinc/36/94/03/399369403.db2.gz	MVLJJOWYDFSXLL-FUHWJXTLSA-N	0	3	312.413	2.562	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610476042	399371008	/nfs/dbraw/zinc/37/10/08/399371008.db2.gz	XQMXIOJPKMLYPE-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610476038	399370639	/nfs/dbraw/zinc/37/06/39/399370639.db2.gz	XQMXIOJPKMLYPE-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CCCC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000601968219	399371658	/nfs/dbraw/zinc/37/16/58/399371658.db2.gz	MYUWOQPJCWZWBD-UHFFFAOYSA-N	0	3	320.458	2.914	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c1	ZINC000610491407	399373253	/nfs/dbraw/zinc/37/32/53/399373253.db2.gz	GVVVCPGGLXOIKR-SFHVURJKSA-N	0	3	322.412	2.843	20	30		DFEDHN
N#CC1(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CC1	ZINC000619670100	399374930	/nfs/dbraw/zinc/37/49/30/399374930.db2.gz	MJTWYTYAKWSHKY-UHFFFAOYSA-N	0	3	318.465	2.636	20	30		DFEDHN
COC1CCN(C(C)(C)CNCc2cccc(F)c2C#N)CC1	ZINC000602002132	399380556	/nfs/dbraw/zinc/38/05/56/399380556.db2.gz	PXGDCHOGILQGHH-UHFFFAOYSA-N	0	3	319.424	2.676	20	30		DFEDHN
N#CCSCCCN[C@H](Cn1cccn1)c1ccccc1	ZINC000610582651	399382530	/nfs/dbraw/zinc/38/25/30/399382530.db2.gz	HYZBTODUFCNMBT-MRXNPFEDSA-N	0	3	300.431	2.861	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1ccc(C#N)cc1	ZINC000610577980	399382650	/nfs/dbraw/zinc/38/26/50/399382650.db2.gz	JFNNVKPOLJRBJJ-QZTJIDSGSA-N	0	3	311.429	2.576	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc(C(=O)OC)n2C)cc1	ZINC000602017511	399385143	/nfs/dbraw/zinc/38/51/43/399385143.db2.gz	RZPSKMQNBHKERJ-UHFFFAOYSA-N	0	3	314.385	2.666	20	30		DFEDHN
CCOCCOCCN(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000615806947	399385197	/nfs/dbraw/zinc/38/51/97/399385197.db2.gz	ZEKBIXNRGFIRIK-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
N#Cc1ccc(CNCCn2ccc(C(F)(F)F)n2)s1	ZINC000602017206	399385041	/nfs/dbraw/zinc/38/50/41/399385041.db2.gz	MJTFHDICXQWHFA-UHFFFAOYSA-N	0	3	300.309	2.625	20	30		DFEDHN
COC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000619755139	399387726	/nfs/dbraw/zinc/38/77/26/399387726.db2.gz	AESFUFSPJUNJSN-MRXNPFEDSA-N	0	3	308.809	2.743	20	30		DFEDHN
CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C#N)c(Cl)c1	ZINC000619754916	399387913	/nfs/dbraw/zinc/38/79/13/399387913.db2.gz	ONWRWLBBUWMJFP-GFCCVEGCSA-N	0	3	307.825	2.948	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(C#N)c1	ZINC000610655822	399389574	/nfs/dbraw/zinc/38/95/74/399389574.db2.gz	HRWSDAFWOKGGEB-XEZPLFJOSA-N	0	3	312.417	2.544	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(C#N)c1	ZINC000610655821	399389792	/nfs/dbraw/zinc/38/97/92/399389792.db2.gz	HRWSDAFWOKGGEB-WWGRRREGSA-N	0	3	312.417	2.544	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1	ZINC000610678110	399391787	/nfs/dbraw/zinc/39/17/87/399391787.db2.gz	BZVBHFPPYFKDHK-QMTHXVAHSA-N	0	3	316.355	2.559	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@]12C[C@@H]1CCC2	ZINC000421430837	269685178	/nfs/dbraw/zinc/68/51/78/269685178.db2.gz	JLOXELWDWXNKDT-HKUYNNGSSA-N	0	3	311.429	2.639	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(C#N)cc1)N(C)Cc1ccccc1	ZINC000110354598	194324997	/nfs/dbraw/zinc/32/49/97/194324997.db2.gz	GPSDUEPIBKUYFS-HNNXBMFYSA-N	0	3	307.397	2.809	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1C	ZINC000610717915	399397616	/nfs/dbraw/zinc/39/76/16/399397616.db2.gz	FBCLHNHVRFXRGL-OAHLLOKOSA-N	0	3	300.406	2.863	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1OC	ZINC000610717919	399397198	/nfs/dbraw/zinc/39/71/98/399397198.db2.gz	IOYMBZCDUYQVMY-CQSZACIVSA-N	0	3	316.405	2.563	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610720696	399397430	/nfs/dbraw/zinc/39/74/30/399397430.db2.gz	ATOVDRWYQWVULW-PBHICJAKSA-N	0	3	314.433	2.793	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1	ZINC000056347448	184011140	/nfs/dbraw/zinc/01/11/40/184011140.db2.gz	KVFVOHVGLQCKMW-GOSISDBHSA-N	0	3	322.412	2.853	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CCN(c2ccncc2)CC1	ZINC000610905927	399417283	/nfs/dbraw/zinc/41/72/83/399417283.db2.gz	YHRPGXGMOKMCLM-UHFFFAOYSA-N	0	3	321.384	2.616	20	30		DFEDHN
N#CCN1CCC(NCc2ccc(F)cc2C(F)(F)F)CC1	ZINC000610930558	399419071	/nfs/dbraw/zinc/41/90/71/399419071.db2.gz	OOESKOGFEOBMRW-UHFFFAOYSA-N	0	3	315.314	2.922	20	30		DFEDHN
COc1cc(CCNCc2ccc(C#N)cc2F)ccc1O	ZINC000610946952	399420399	/nfs/dbraw/zinc/42/03/99/399420399.db2.gz	PLURYJORARKZML-UHFFFAOYSA-N	0	3	300.333	2.744	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](c3cnn(C)c3)C2)cc1C#N	ZINC000610992257	399425610	/nfs/dbraw/zinc/42/56/10/399425610.db2.gz	OPIVUWADXHONAA-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](n3ccnc3C)C2)cc1C#N	ZINC000610992891	399426100	/nfs/dbraw/zinc/42/61/00/399426100.db2.gz	QHMVJQPKKGRGFN-KRWDZBQOSA-N	0	3	310.401	2.909	20	30		DFEDHN
Cc1ccnc(NC[C@H]2CCN(Cc3ccnc(C#N)c3)C2)c1	ZINC000610992872	399426126	/nfs/dbraw/zinc/42/61/26/399426126.db2.gz	PEHRCUAYWKNOLH-MRXNPFEDSA-N	0	3	307.401	2.591	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1cn[nH]c(=O)c1Cl)C(C)C	ZINC000059385181	184137789	/nfs/dbraw/zinc/13/77/89/184137789.db2.gz	BDUOPYIAZQKYHU-ZDUSSCGKSA-N	0	3	310.829	2.534	20	30		DFEDHN
COc1ccc(F)cc1CN1CCN(C[C@H](C)CCC#N)CC1	ZINC000602432438	399442242	/nfs/dbraw/zinc/44/22/42/399442242.db2.gz	LOPJWOWBADQMQH-OAHLLOKOSA-N	0	3	319.424	2.892	20	30		DFEDHN
N#Cc1c(F)cccc1N1CCN(CC2CCSCC2)CC1	ZINC000602443937	399446293	/nfs/dbraw/zinc/44/62/93/399446293.db2.gz	BPFDQJPYHPYDJC-UHFFFAOYSA-N	0	3	319.449	2.963	20	30		DFEDHN
C[C@@H](C#N)CN(Cc1ccc(OCCN(C)C)cc1)C1CC1	ZINC000611276104	399456839	/nfs/dbraw/zinc/45/68/39/399456839.db2.gz	LXOTVXIWCDFIJZ-HNNXBMFYSA-N	0	3	301.434	2.751	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)ccn1	ZINC000611281791	399457547	/nfs/dbraw/zinc/45/75/47/399457547.db2.gz	JZSHEIRANQKPGV-KRWDZBQOSA-N	0	3	317.396	2.968	20	30		DFEDHN
CCc1nsc(N2CCCN(C[C@@H](C)CCC#N)CC2)n1	ZINC000602481057	399458359	/nfs/dbraw/zinc/45/83/59/399458359.db2.gz	DQQJOICTASQVTA-ZDUSSCGKSA-N	0	3	307.467	2.552	20	30		DFEDHN
N#CCN1CCC(NCc2ncc(-c3ccccc3)s2)CC1	ZINC000611292694	399458705	/nfs/dbraw/zinc/45/87/05/399458705.db2.gz	BSCNOECMPCCMRI-UHFFFAOYSA-N	0	3	312.442	2.888	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC(c2ccccc2F)CC1	ZINC000611302667	399460935	/nfs/dbraw/zinc/46/09/35/399460935.db2.gz	PYSGEDFAQZWKOU-UHFFFAOYSA-N	0	3	317.408	2.767	20	30		DFEDHN
COC(=O)c1cccc(OCCN(C)Cc2cccc(C#N)c2)c1	ZINC000063495073	184283548	/nfs/dbraw/zinc/28/35/48/184283548.db2.gz	TTZULFTXKGDKIJ-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000193284787	335045405	/nfs/dbraw/zinc/04/54/05/335045405.db2.gz	UFRCSTCJQZMKJX-CHWSQXEVSA-N	0	3	307.390	2.669	20	30		DFEDHN
COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)c(OC)c1	ZINC000602518761	399466285	/nfs/dbraw/zinc/46/62/85/399466285.db2.gz	RMEBZIYNGZBYDV-CQSZACIVSA-N	0	3	318.417	2.892	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@H](C)c1cccc(C#N)c1	ZINC000611389329	399468466	/nfs/dbraw/zinc/46/84/66/399468466.db2.gz	SMGUPVNLXNLADM-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000611393947	399469455	/nfs/dbraw/zinc/46/94/55/399469455.db2.gz	VBZRIIYFMWMTBF-MZMPZRCHSA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@@H](NCc1ccnc(C#N)c1)c1ccccc1-n1cccn1	ZINC000611393751	399469676	/nfs/dbraw/zinc/46/96/76/399469676.db2.gz	VNPBLTDPSXHTCK-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=C[C@H](O)C(=O)Nc1ccc(SCCN2CCCCC2)cc1	ZINC000616475916	399472512	/nfs/dbraw/zinc/47/25/12/399472512.db2.gz	CMWYJYXKSLVFJN-INIZCTEOSA-N	0	3	320.458	2.750	20	30		DFEDHN
Cc1ccc(C#N)nc1NCCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000611400179	399471239	/nfs/dbraw/zinc/47/12/39/399471239.db2.gz	ZUFTYZCAKGOQSJ-GJZGRUSLSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000611405196	399471476	/nfs/dbraw/zinc/47/14/76/399471476.db2.gz	KCXXUFHEGBOUBC-HOTGVXAUSA-N	0	3	305.418	2.844	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000611405198	399471579	/nfs/dbraw/zinc/47/15/79/399471579.db2.gz	KCXXUFHEGBOUBC-JKSUJKDBSA-N	0	3	305.418	2.844	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NCc2cccc(C#N)n2)C1	ZINC000602543680	399471826	/nfs/dbraw/zinc/47/18/26/399471826.db2.gz	GDXBEQNSILLYEC-BEFAXECRSA-N	0	3	306.413	2.878	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NCc2cccc(C#N)n2)C1	ZINC000602543681	399471952	/nfs/dbraw/zinc/47/19/52/399471952.db2.gz	GDXBEQNSILLYEC-DNVCBOLYSA-N	0	3	306.413	2.878	20	30		DFEDHN
C[C@H](CCC#N)CN[C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000602556890	399474541	/nfs/dbraw/zinc/47/45/41/399474541.db2.gz	XFGMLHBWTROMAL-DOMZBBRYSA-N	0	3	305.809	2.975	20	30		DFEDHN
N#Cc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccn1	ZINC000611433588	399476283	/nfs/dbraw/zinc/47/62/83/399476283.db2.gz	YEODNIIVZTWBCL-IBGZPJMESA-N	0	3	321.380	2.965	20	30		DFEDHN
COc1ccccc1OC[C@H](C)CNCc1cccc(C#N)n1	ZINC000602577080	399480692	/nfs/dbraw/zinc/48/06/92/399480692.db2.gz	RBMHLAQLUDXANO-CQSZACIVSA-N	0	3	311.385	2.767	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1c[nH]c2c1cccc2Cl	ZINC000602576587	399480822	/nfs/dbraw/zinc/48/08/22/399480822.db2.gz	OUHZXXYIIMCCIO-AWEZNQCLSA-N	0	3	318.808	2.501	20	30		DFEDHN
C=CCCOCC(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000620329451	399479397	/nfs/dbraw/zinc/47/93/97/399479397.db2.gz	RCFHYZVUANZGPB-MRXNPFEDSA-N	0	3	300.402	2.590	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1	ZINC000602573169	399479676	/nfs/dbraw/zinc/47/96/76/399479676.db2.gz	PKJADMDYEBMFCK-QGZVFWFLSA-N	0	3	322.412	2.776	20	30		DFEDHN
CC(C)(CO)[C@H](CNCc1cccc(C#N)n1)c1ccccc1	ZINC000602581702	399482544	/nfs/dbraw/zinc/48/25/44/399482544.db2.gz	KILKKDYZEBZWDX-GOSISDBHSA-N	0	3	309.413	2.845	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C	ZINC000611500707	399482694	/nfs/dbraw/zinc/48/26/94/399482694.db2.gz	SRUQISPRAYYCEY-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCCN(c3ccccc3F)C2)n1	ZINC000602582925	399483243	/nfs/dbraw/zinc/48/32/43/399483243.db2.gz	YUBLATKYSIXHIO-INIZCTEOSA-N	0	3	310.376	2.851	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNCc1cccc(C#N)n1)C1CC1	ZINC000602623677	399494255	/nfs/dbraw/zinc/49/42/55/399494255.db2.gz	YUYILTLMJFOVIQ-FQEVSTJZSA-N	0	3	320.440	2.953	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)[nH]c1C	ZINC000602641937	399500087	/nfs/dbraw/zinc/50/00/87/399500087.db2.gz	VVBJHWDUTKUJMS-QGZVFWFLSA-N	0	3	309.369	2.759	20	30		DFEDHN
CC[C@H](C)[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)OC	ZINC000602651633	399502955	/nfs/dbraw/zinc/50/29/55/399502955.db2.gz	KBIJRAZHCQFXLG-JKSUJKDBSA-N	0	3	301.434	3.000	20	30		DFEDHN
C[C@@H]1[C@@H](NCc2cccc(C#N)n2)CCN1Cc1ccccc1	ZINC000602663945	399508217	/nfs/dbraw/zinc/50/82/17/399508217.db2.gz	LJNSMYAEKXWXPK-BEFAXECRSA-N	0	3	306.413	2.706	20	30		DFEDHN
CC(C)(CC#N)CNCc1cnn2cc(Br)cnc12	ZINC000602692602	399523082	/nfs/dbraw/zinc/52/30/82/399523082.db2.gz	WKROPGVADRDEOI-UHFFFAOYSA-N	0	3	322.210	2.521	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@@H](c1ccccc1)[C@H](C)O	ZINC000602715425	399535331	/nfs/dbraw/zinc/53/53/31/399535331.db2.gz	NAYWFCGBFHJFKX-HLLBOEOZSA-N	0	3	302.418	2.797	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H](CNCc1cccc(C#N)n1)C1CCC1	ZINC000602717289	399536738	/nfs/dbraw/zinc/53/67/38/399536738.db2.gz	ZJWBBEJAQQTXNE-INIZCTEOSA-N	0	3	315.417	2.801	20	30		DFEDHN
COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1C#N	ZINC000270251252	208315490	/nfs/dbraw/zinc/31/54/90/208315490.db2.gz	GBBAPOXZEDJCTE-GOSISDBHSA-N	0	3	314.360	2.703	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1ccccc1	ZINC000270323244	208395067	/nfs/dbraw/zinc/39/50/67/208395067.db2.gz	KZPWRAHSHTUNFI-SZMVWBNQSA-N	0	3	313.445	2.733	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@H](C)c1cnccc1C	ZINC000611940108	399546725	/nfs/dbraw/zinc/54/67/25/399546725.db2.gz	SEOLEKQNPBKXAA-CQSZACIVSA-N	0	3	311.385	3.000	20	30		DFEDHN
CC1(C)CO[C@H](CN2CCCN(c3ccccc3C#N)CC2)C1	ZINC000602762108	399559228	/nfs/dbraw/zinc/55/92/28/399559228.db2.gz	HNOHTSZJCFDWCW-KRWDZBQOSA-N	0	3	313.445	2.885	20	30		DFEDHN
CC1(C)CO[C@@H](CN2CCCN(c3ccccc3C#N)CC2)C1	ZINC000602762109	399559721	/nfs/dbraw/zinc/55/97/21/399559721.db2.gz	HNOHTSZJCFDWCW-QGZVFWFLSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](C(=O)OC)C2)ccc1OC	ZINC000271120188	208632136	/nfs/dbraw/zinc/63/21/36/208632136.db2.gz	XWTVCWVEBVPPRI-HNNXBMFYSA-N	0	3	319.401	2.645	20	30		DFEDHN
C#CC[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1	ZINC000272888347	210278785	/nfs/dbraw/zinc/27/87/85/210278785.db2.gz	YYYHNONICYVBDO-CRAIPNDOSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=CCC(CC=C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000629321321	399571904	/nfs/dbraw/zinc/57/19/04/399571904.db2.gz	HKQYKSOYLTWGCV-FGTMMUONSA-N	0	3	320.477	2.855	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000629322517	399571699	/nfs/dbraw/zinc/57/16/99/399571699.db2.gz	MOGICNQOBJQMNE-LUKYLMHMSA-N	0	3	308.466	2.689	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCCC[C@H]1C	ZINC000612100658	399581885	/nfs/dbraw/zinc/58/18/85/399581885.db2.gz	SNDDEEBRHZZGTO-VYDXJSESSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=C(CNC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1	ZINC000288139177	335053090	/nfs/dbraw/zinc/05/30/90/335053090.db2.gz	YEPDULOZSHYDPZ-MRXNPFEDSA-N	0	3	301.434	2.683	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629418867	399598985	/nfs/dbraw/zinc/59/89/85/399598985.db2.gz	UWRKCWPQTDYDPI-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(Cc2nc(C3CCCC3)no2)CC1	ZINC000625634485	399600401	/nfs/dbraw/zinc/60/04/01/399600401.db2.gz	SUDIUUJKJBXPFR-INIZCTEOSA-N	0	3	319.449	2.919	20	30		DFEDHN
C[C@@H]1CN(CCCOCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602853110	399603705	/nfs/dbraw/zinc/60/37/05/399603705.db2.gz	GYOVSLHJTRCUQP-CALCHBBNSA-N	0	3	301.434	2.511	20	30		DFEDHN
Cc1cc(-n2ccnc2)ccc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602855481	399604628	/nfs/dbraw/zinc/60/46/28/399604628.db2.gz	VKGXWPYVOFPPPB-IAGOWNOFSA-N	0	3	323.444	2.599	20	30		DFEDHN
Cc1cccc(C)c1OCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856395	399604927	/nfs/dbraw/zinc/60/49/27/399604927.db2.gz	LFMURSWAVCXQBS-HDICACEKSA-N	0	3	315.461	2.991	20	30		DFEDHN
COc1cccc(CCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602858363	399605923	/nfs/dbraw/zinc/60/59/23/399605923.db2.gz	RLIPARUFOZFXMF-IYBDPMFKSA-N	0	3	301.434	2.546	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2sccc2C#N)N(C)C)cc1	ZINC000052050506	542446347	/nfs/dbraw/zinc/44/63/47/542446347.db2.gz	BPPOVHBLBAPZPW-HNNXBMFYSA-N	0	3	313.426	2.961	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)c2sccc2C#N)N(C)C)cc1	ZINC000052050505	542446377	/nfs/dbraw/zinc/44/63/77/542446377.db2.gz	BPPOVHBLBAPZPW-OAHLLOKOSA-N	0	3	313.426	2.961	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccnc1	ZINC000065987104	542456582	/nfs/dbraw/zinc/45/65/82/542456582.db2.gz	GGDIOGCRAIFIDW-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
COc1ccc([C@@H](CNc2cnc(C#N)cn2)N2CCCC2)cc1	ZINC000120512569	195181088	/nfs/dbraw/zinc/18/10/88/195181088.db2.gz	XDKNEROWXOEDIY-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CCOCC1	ZINC000120528282	195184190	/nfs/dbraw/zinc/18/41/90/195184190.db2.gz	OSVGHALHFSEFTR-AWEZNQCLSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C1	ZINC000625701520	399617103	/nfs/dbraw/zinc/61/71/03/399617103.db2.gz	PDYQHIIEJKUPCR-AWEZNQCLSA-N	0	3	320.408	2.691	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NC[C@](C)(O)C(F)(F)F)cc1	ZINC000271569152	209022033	/nfs/dbraw/zinc/02/20/33/209022033.db2.gz	VLAKKUVRVAMLIW-RISCZKNCSA-N	0	3	301.308	2.663	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(OCC)cc2)C1	ZINC000625702908	399618827	/nfs/dbraw/zinc/61/88/27/399618827.db2.gz	JSJFJLYQRRYFDY-MRXNPFEDSA-N	0	3	316.445	2.942	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(CCN(C)C)Cc1cccc(C)c1	ZINC000288226637	335054240	/nfs/dbraw/zinc/05/42/40/335054240.db2.gz	PTZMPXAWDYINHJ-UHFFFAOYSA-N	0	3	310.441	2.548	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000288689149	335054803	/nfs/dbraw/zinc/05/48/03/335054803.db2.gz	UIHYYYHBOUDPAB-RDJZCZTQSA-N	0	3	319.449	2.952	20	30		DFEDHN
C=CCN(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C1CC1	ZINC000271615912	209062729	/nfs/dbraw/zinc/06/27/29/209062729.db2.gz	XNXKCWRDDAIHOK-QGZVFWFLSA-N	0	3	301.434	2.958	20	30		DFEDHN
CSC1CCN(CC#CCN2CCC(SC)CC2)CC1	ZINC000602924688	399628889	/nfs/dbraw/zinc/62/88/89/399628889.db2.gz	ZDTFDMNJZRGJNZ-UHFFFAOYSA-N	0	3	312.548	2.645	20	30		DFEDHN
Cc1ncc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1	ZINC000289704770	221167713	/nfs/dbraw/zinc/16/77/13/221167713.db2.gz	GJDKGSJHUFHKIR-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
Cc1nc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cs1	ZINC000289766811	221211316	/nfs/dbraw/zinc/21/13/16/221211316.db2.gz	KGQZNNXRAMZECD-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1	ZINC000289767880	221212267	/nfs/dbraw/zinc/21/22/67/221212267.db2.gz	ZORIYTSKJLBSDU-SQNIBIBYSA-N	0	3	312.413	2.625	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cnn(C(C)C)c2)CC1	ZINC000080153600	542490590	/nfs/dbraw/zinc/49/05/90/542490590.db2.gz	INZRDXJKLCKQDY-UHFFFAOYSA-N	0	3	305.426	2.626	20	30		DFEDHN
N#CCC1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1	ZINC000563852285	335057488	/nfs/dbraw/zinc/05/74/88/335057488.db2.gz	PLJRQTSVQPWNRE-UHFFFAOYSA-N	0	3	313.445	2.644	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccccc1F	ZINC000289845418	221263874	/nfs/dbraw/zinc/26/38/74/221263874.db2.gz	PPZVAOHTMZTWRV-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
C=C(C)CN1CCC(Nc2c([N+](=O)[O-])nc(C)n2CC)CC1	ZINC000288882238	335058540	/nfs/dbraw/zinc/05/85/40/335058540.db2.gz	MNBABHQNHVESIB-UHFFFAOYSA-N	0	3	307.398	2.572	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCC#N	ZINC000612380463	399638316	/nfs/dbraw/zinc/63/83/16/399638316.db2.gz	RCVAJWSGKGVSLD-INIZCTEOSA-N	0	3	314.433	2.596	20	30		DFEDHN
C#Cc1ccc(CN(C)C[C@@H](O)COCc2ccccc2)cc1	ZINC000289085970	335060096	/nfs/dbraw/zinc/06/00/96/335060096.db2.gz	KUXLEEOKRGXUDS-HXUWFJFHSA-N	0	3	309.409	2.677	20	30		DFEDHN
C#CCOc1cccc(-c2noc(CC3CCN(C)CC3)n2)c1	ZINC000289073648	335060122	/nfs/dbraw/zinc/06/01/22/335060122.db2.gz	ZFIDSHUGAFAPKI-UHFFFAOYSA-N	0	3	311.385	2.633	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H](C2CCC2)CC1	ZINC000603000114	399655851	/nfs/dbraw/zinc/65/58/51/399655851.db2.gz	VLKOBOXEPKXHDK-KRWDZBQOSA-N	0	3	316.449	2.545	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@H](C2CCC2)CC1)C1CC1	ZINC000603000295	399655987	/nfs/dbraw/zinc/65/59/87/399655987.db2.gz	ZJQIFKJLULGWJK-YJBOKZPZSA-N	0	3	303.450	2.697	20	30		DFEDHN
CCCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CCN(C)C1	ZINC000603073409	399672856	/nfs/dbraw/zinc/67/28/56/399672856.db2.gz	TXLXIKDHRKFUPO-OAHLLOKOSA-N	0	3	304.369	2.645	20	30		DFEDHN
C[C@H](CN(C)[C@@H]1CCC[C@H]1C#N)CN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000602979491	399648331	/nfs/dbraw/zinc/64/83/31/399648331.db2.gz	DUGBODCHRFBNHG-CWQOZTLDSA-N	0	3	302.466	2.871	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@]2(CC(=O)c3ccccc3O2)C1	ZINC000625801664	399649577	/nfs/dbraw/zinc/64/95/77/399649577.db2.gz	WAOYBKURBGPNIB-BEFAXECRSA-N	0	3	315.413	2.814	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccnc(C#N)c1)N(C)Cc1ccccc1	ZINC000603133156	399690413	/nfs/dbraw/zinc/69/04/13/399690413.db2.gz	VXHPGWLNQAPWKZ-AWEZNQCLSA-N	0	3	323.400	2.595	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603080593	399676423	/nfs/dbraw/zinc/67/64/23/399676423.db2.gz	JNVDRFBNGVLSPY-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000612829066	399732515	/nfs/dbraw/zinc/73/25/15/399732515.db2.gz	MAWYPQXIWMBCRK-FGTMMUONSA-N	0	3	300.402	2.719	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21	ZINC000612829070	399732536	/nfs/dbraw/zinc/73/25/36/399732536.db2.gz	MAWYPQXIWMBCRK-OKZBNKHCSA-N	0	3	300.402	2.719	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCCN(c3ccccn3)C2)cc1C#N	ZINC000121840235	195359256	/nfs/dbraw/zinc/35/92/56/195359256.db2.gz	RIIRYTQFLUTZQH-QGZVFWFLSA-N	0	3	322.412	2.720	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000318417900	533270773	/nfs/dbraw/zinc/27/07/73/533270773.db2.gz	JXFUATBEHCJVLZ-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
C=CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@@H](C)COC	ZINC000617577257	399746180	/nfs/dbraw/zinc/74/61/80/399746180.db2.gz	LJDWEQVZJBLBMC-INIZCTEOSA-N	0	3	316.445	2.946	20	30		DFEDHN
C=CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000617618663	399756983	/nfs/dbraw/zinc/75/69/83/399756983.db2.gz	ZBEHICZSGOQMKD-HNNXBMFYSA-N	0	3	308.372	2.836	20	30		DFEDHN
C=C[C@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000152374961	542676730	/nfs/dbraw/zinc/67/67/30/542676730.db2.gz	MEHZTTWYJYEBPI-AWEZNQCLSA-N	0	3	324.852	2.715	20	30		DFEDHN
C=C[C@@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000152375055	542677052	/nfs/dbraw/zinc/67/70/52/542677052.db2.gz	MEHZTTWYJYEBPI-CQSZACIVSA-N	0	3	324.852	2.715	20	30		DFEDHN
C=C(C)COc1cc(CNCC2(CO)CCC2)ccc1OC	ZINC000184375155	542806928	/nfs/dbraw/zinc/80/69/28/542806928.db2.gz	VQITUUUDQXKZQW-UHFFFAOYSA-N	0	3	305.418	2.902	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CC2CC(O)C2)ccc1OC	ZINC000191155290	542842393	/nfs/dbraw/zinc/84/23/93/542842393.db2.gz	AQFHKQJNCGMASD-UHFFFAOYSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=C[C@H](CO)N[C@H]1CCc2c1cc(Br)cc2F	ZINC000289895383	335066913	/nfs/dbraw/zinc/06/69/13/335066913.db2.gz	SVEHYQHBBJRMRQ-RNCFNFMXSA-N	0	3	300.171	2.712	20	30		DFEDHN
C[C@H](CNC(=O)Nc1nc2c(s1)CCCC2)N(C)C1CC1	ZINC000328827035	543097804	/nfs/dbraw/zinc/09/78/04/543097804.db2.gz	IGQQGHUNXWFPEK-SNVBAGLBSA-N	0	3	308.451	2.831	20	30		DFEDHN
CC(=O)NC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1	ZINC000329278195	543102438	/nfs/dbraw/zinc/10/24/38/543102438.db2.gz	JPIFFBKZLRPIHQ-INIZCTEOSA-N	0	3	321.465	2.753	20	30		DFEDHN
Cc1nc(C)c(CCC(=O)NC2CC[NH+](C(C)C)CC2)c(=O)[n-]1	ZINC000329138110	543100489	/nfs/dbraw/zinc/10/04/89/543100489.db2.gz	IBBIJDUHQMEQFC-UHFFFAOYSA-N	0	3	320.437	2.561	20	30		DFEDHN
CC(=O)N[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)C1CCCC1	ZINC000329325585	543102870	/nfs/dbraw/zinc/10/28/70/543102870.db2.gz	SXLLLQSOBJHQRQ-IRXDYDNUSA-N	0	3	321.465	2.608	20	30		DFEDHN
CC(=O)N[C@@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1	ZINC000329551656	543105762	/nfs/dbraw/zinc/10/57/62/543105762.db2.gz	JNYZWBUKNUEBTR-MRXNPFEDSA-N	0	3	313.405	2.517	20	30		DFEDHN
CC[C@@H](CC#N)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000390885587	543307314	/nfs/dbraw/zinc/30/73/14/543307314.db2.gz	BPGVYRWCTSRHTB-ZWKOTPCHSA-N	0	3	301.434	2.559	20	30		DFEDHN
N#Cc1ccc(CNCC2CCN(C(=O)c3ccccc3)CC2)o1	ZINC000174417947	145379106	/nfs/dbraw/zinc/37/91/06/145379106.db2.gz	KPXNIPFCCQBMRV-UHFFFAOYSA-N	0	3	323.396	2.793	20	30		DFEDHN
N#CC(C(=O)c1cnn(CC2CC2)c1)c1nc2ccccc2[nH]1	ZINC000633894253	399958646	/nfs/dbraw/zinc/95/86/46/399958646.db2.gz	GOUODHJXSNLTJT-CYBMUJFWSA-N	0	3	305.341	2.659	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CC2CC2)c1	ZINC000633894517	399958688	/nfs/dbraw/zinc/95/86/88/399958688.db2.gz	KUOUREDZMHTOSG-CQSZACIVSA-N	0	3	319.368	2.670	20	30		DFEDHN
N#CC(C(=O)c1ccc(C2CCOCC2)cc1)c1ccncn1	ZINC000633966834	399967279	/nfs/dbraw/zinc/96/72/79/399967279.db2.gz	DDTMSUWGELSJTF-INIZCTEOSA-N	0	3	307.353	2.861	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000628544243	400039427	/nfs/dbraw/zinc/03/94/27/400039427.db2.gz	SQELFFPTQQTLCE-SJLPKXTDSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H](N)CCCC#N	ZINC000424094631	543342266	/nfs/dbraw/zinc/34/22/66/543342266.db2.gz	UYYJJLPIBMFTFZ-CYBMUJFWSA-N	0	3	314.216	2.973	20	30		DFEDHN
C[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(C#N)cc1F	ZINC000358578764	148391033	/nfs/dbraw/zinc/39/10/33/148391033.db2.gz	WOMOWORKJVHOQR-LRDDRELGSA-N	0	3	307.438	2.785	20	30		DFEDHN
C[C@H](O)[C@H]1CCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000361069752	149022392	/nfs/dbraw/zinc/02/23/92/149022392.db2.gz	TVZQKJFIWMMLBL-KBXCAEBGSA-N	0	3	324.428	2.694	20	30		DFEDHN
CN(Cc1ccc(C#N)c(F)c1)[C@H](CC(N)=O)c1ccccc1	ZINC000361470079	149124490	/nfs/dbraw/zinc/12/44/90/149124490.db2.gz	PYROWFMLBNPNNR-QGZVFWFLSA-N	0	3	311.360	2.746	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1cnccc1C#N)c1ccccc1	ZINC000362746339	149356310	/nfs/dbraw/zinc/35/63/10/149356310.db2.gz	HFSKLJCUQQMESK-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)s1	ZINC000362904686	149393766	/nfs/dbraw/zinc/39/37/66/149393766.db2.gz	ONPMPUSZOTWVLF-UPJWGTAASA-N	0	3	305.447	2.716	20	30		DFEDHN
Cc1cc(CN2CCC(C(=O)N3CCCC3)CC2)ccc1C#N	ZINC000362928046	149399632	/nfs/dbraw/zinc/39/96/32/149399632.db2.gz	OHMUTMUNXQOOBR-UHFFFAOYSA-N	0	3	311.429	2.701	20	30		DFEDHN
N#Cc1cccc(CN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1	ZINC000367396540	149596339	/nfs/dbraw/zinc/59/63/39/149596339.db2.gz	LBIWDPJTKKWSEV-GOSISDBHSA-N	0	3	323.440	2.783	20	30		DFEDHN
C[C@H]1CCC[C@H](CO)N1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000371707766	150083489	/nfs/dbraw/zinc/08/34/89/150083489.db2.gz	PUTOVDFMPIUSAF-KBXCAEBGSA-N	0	3	324.428	2.694	20	30		DFEDHN
Cc1ccnc(C2CCN(CCOc3ccccc3C#N)CC2)n1	ZINC000371822069	150099754	/nfs/dbraw/zinc/09/97/54/150099754.db2.gz	GUDVLDLNWKEJKC-UHFFFAOYSA-N	0	3	322.412	2.915	20	30		DFEDHN
C[C@@H]1N(Cc2cnc3ccc(C#N)cn23)CCC12CCOCC2	ZINC000371864886	150106143	/nfs/dbraw/zinc/10/61/43/150106143.db2.gz	PHBURVCYIHFHTG-AWEZNQCLSA-N	0	3	310.401	2.597	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cc1	ZINC000373036397	150219017	/nfs/dbraw/zinc/21/90/17/150219017.db2.gz	LYMSHHKOVAWYIK-SFHVURJKSA-N	0	3	311.429	2.972	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@H](O)c3ccccc3C2)c1	ZINC000373126013	150235974	/nfs/dbraw/zinc/23/59/74/150235974.db2.gz	PCPDQAZWTNTDOT-LJQANCHMSA-N	0	3	308.381	2.876	20	30		DFEDHN
N#Cc1cccc(N2CCN(CCCc3ccccc3)CC2)n1	ZINC000355121793	158278710	/nfs/dbraw/zinc/27/87/10/158278710.db2.gz	HCFXPFRYGMKDRY-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
CC[C@@H]1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000356933092	158325344	/nfs/dbraw/zinc/32/53/44/158325344.db2.gz	XTCKVXIWZVJAJB-FUHWJXTLSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCN(CC2CCOCC2)CC1	ZINC000172424986	287131500	/nfs/dbraw/zinc/13/15/00/287131500.db2.gz	YLDYZCFXMXPTGQ-INIZCTEOSA-N	0	3	313.445	2.663	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000271632781	209076987	/nfs/dbraw/zinc/07/69/87/209076987.db2.gz	FYGMKFBNFXGUHL-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#Cc1cccc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1	ZINC000131806942	196201410	/nfs/dbraw/zinc/20/14/10/196201410.db2.gz	BOPGMPKAEGIWNX-QGZVFWFLSA-N	0	3	300.402	2.576	20	30		DFEDHN
N#Cc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1	ZINC000132156659	196231297	/nfs/dbraw/zinc/23/12/97/196231297.db2.gz	LWBFQTSDYBPXOM-KRWDZBQOSA-N	0	3	300.402	2.576	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OCC)c(C)n2)CC1	ZINC000668148385	543750546	/nfs/dbraw/zinc/75/05/46/543750546.db2.gz	ODBCFRWMHJUYPX-UHFFFAOYSA-N	0	3	318.421	2.561	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](OC)C1)C(C)C	ZINC000668682320	543844959	/nfs/dbraw/zinc/84/49/59/543844959.db2.gz	DPWMZDOUGFHQFF-IXDOHACOSA-N	0	3	308.466	2.616	20	30		DFEDHN
CN(C)[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1cccs1	ZINC000296578474	226014837	/nfs/dbraw/zinc/01/48/37/226014837.db2.gz	QYWHAKCTCNUBTG-GFCCVEGCSA-N	0	3	317.374	2.638	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](CC(N)=O)CC1	ZINC000671469266	544077027	/nfs/dbraw/zinc/07/70/27/544077027.db2.gz	FVGDEXLZUZUBFT-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CC(N)=O)CC2)cc1	ZINC000671469812	544077075	/nfs/dbraw/zinc/07/70/75/544077075.db2.gz	SKRFKOQXLGAVEC-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000671700528	544098564	/nfs/dbraw/zinc/09/85/64/544098564.db2.gz	ZRAIJFYMCVCWDL-CHWSQXEVSA-N	0	3	304.356	2.569	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(F)c(F)c1	ZINC000184669992	335082860	/nfs/dbraw/zinc/08/28/60/335082860.db2.gz	ASZIIWYAUNYNHU-CJNGLKHVSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(CC)C[C@H]1C	ZINC000674793236	544260238	/nfs/dbraw/zinc/26/02/38/544260238.db2.gz	VCJSWHIXIICZAN-UKRRQHHQSA-N	0	3	307.463	2.786	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CN(CC)C[C@H]1C	ZINC000674889520	544274967	/nfs/dbraw/zinc/27/49/67/544274967.db2.gz	QXRIZQAGKAAASA-PBHICJAKSA-N	0	3	319.424	2.864	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(CC(F)(F)F)C2)CC1	ZINC000675422070	544310220	/nfs/dbraw/zinc/31/02/20/544310220.db2.gz	NTWZFSMIMONDOA-UHFFFAOYSA-N	0	3	319.371	2.621	20	30		DFEDHN
C=CCOCCNCc1cccc(Br)c1OC	ZINC000681375561	545634664	/nfs/dbraw/zinc/63/46/64/545634664.db2.gz	UNHKRWYSRKEDHZ-UHFFFAOYSA-N	0	3	300.196	2.750	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000677477706	544494489	/nfs/dbraw/zinc/49/44/89/544494489.db2.gz	UBCSGFXOTLIRRC-GFCCVEGCSA-N	0	3	301.333	2.665	20	30		DFEDHN
C=CCN(CC(=O)N1CCOC[C@H]1C1CC1)CC1CCCCC1	ZINC000677985008	544576447	/nfs/dbraw/zinc/57/64/47/544576447.db2.gz	PXYRQPGYUPNCDU-SFHVURJKSA-N	0	3	320.477	2.692	20	30		DFEDHN
Cc1noc(C)c1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000299383791	229088668	/nfs/dbraw/zinc/08/86/68/229088668.db2.gz	XDRQKAUVSWETRR-UHFFFAOYSA-N	0	3	310.401	2.922	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cnn(Cc2ccccc2Cl)c1	ZINC000678732242	544713354	/nfs/dbraw/zinc/71/33/54/544713354.db2.gz	JCPSWGATTYXPIP-AWEZNQCLSA-N	0	3	319.836	2.859	20	30		DFEDHN
CCC#C[C@@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000678741329	544714356	/nfs/dbraw/zinc/71/43/56/544714356.db2.gz	BJFNEDRXIRVNNX-HUUCEWRRSA-N	0	3	314.429	2.797	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nn1	ZINC000301962129	230004492	/nfs/dbraw/zinc/00/44/92/230004492.db2.gz	MXMHZWWOSZMAGR-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=CCOCCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000679576807	544879818	/nfs/dbraw/zinc/87/98/18/544879818.db2.gz	VDKLSMIKORLIQI-CYBMUJFWSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1ccc(OCc2nccn2C)cc1	ZINC000679576316	544880255	/nfs/dbraw/zinc/88/02/55/544880255.db2.gz	NJFALSCZCZDFHX-HNNXBMFYSA-N	0	3	315.417	2.852	20	30		DFEDHN
N#CC1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000057879164	425897010	/nfs/dbraw/zinc/89/70/10/425897010.db2.gz	VTEKIGVHEFAYGK-GOSISDBHSA-N	0	3	311.429	2.806	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC1CCN(C)CC1	ZINC000062474641	425900141	/nfs/dbraw/zinc/90/01/41/425900141.db2.gz	HQGLFECOCQSZBR-UHFFFAOYSA-N	0	3	301.434	2.521	20	30		DFEDHN
C[C@H](CN(C)CCOc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000459816812	269870607	/nfs/dbraw/zinc/87/06/07/269870607.db2.gz	WQCYBRXSRUHZOW-CQSZACIVSA-N	0	3	318.417	2.847	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1C#N	ZINC000443979972	269913640	/nfs/dbraw/zinc/91/36/40/269913640.db2.gz	LOCYXXVZRZTHMK-MRXNPFEDSA-N	0	3	309.417	2.686	20	30		DFEDHN
CC#CCCN(Cc1ccccc1)[C@H](C)CN1CCOCC1	ZINC000155629580	425923238	/nfs/dbraw/zinc/92/32/38/425923238.db2.gz	LHZOOAKHQSFBQO-GOSISDBHSA-N	0	3	300.446	2.623	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCO)c(OC(F)F)c1	ZINC000348177600	269998693	/nfs/dbraw/zinc/99/86/93/269998693.db2.gz	CDYAGBBCSDMKAV-TZMCWYRMSA-N	0	3	310.344	2.800	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000351027425	269999181	/nfs/dbraw/zinc/99/91/81/269999181.db2.gz	LRZUZRUJWICJMJ-UHFFFAOYSA-N	0	3	311.429	2.815	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NCCCNCc2cccnc2)c1	ZINC000415802674	270000462	/nfs/dbraw/zinc/00/04/62/270000462.db2.gz	INJPTBYTUNEERR-UHFFFAOYSA-N	0	3	323.400	2.563	20	30		DFEDHN
COC(=O)c1cccc(CN(C)C2CCC(OC)CC2)c1C#N	ZINC000534472155	270003085	/nfs/dbraw/zinc/00/30/85/270003085.db2.gz	KBLVGDMCCHBRJL-UHFFFAOYSA-N	0	3	316.401	2.734	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000156177464	425933754	/nfs/dbraw/zinc/93/37/54/425933754.db2.gz	GNFRKTWIUHCEGU-KRWDZBQOSA-N	0	3	317.433	2.707	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1cc(C#N)cs1	ZINC000346349241	266125833	/nfs/dbraw/zinc/12/58/33/266125833.db2.gz	ZJOGJYRRBWXJQG-UHFFFAOYSA-N	0	3	305.447	2.958	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000348480638	266346674	/nfs/dbraw/zinc/34/66/74/266346674.db2.gz	RWRCFBUYWYIEIF-LSDHHAIUSA-N	0	3	303.431	2.761	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)c1cc(C#N)oc1C	ZINC000435680668	267007516	/nfs/dbraw/zinc/00/75/16/267007516.db2.gz	HINBHMGNVBCUIY-AWEZNQCLSA-N	0	3	303.406	2.844	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc(C#N)cc1	ZINC000341100286	267017643	/nfs/dbraw/zinc/01/76/43/267017643.db2.gz	ZHBFVYYWBLHCHS-GASCZTMLSA-N	0	3	314.433	2.620	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000352833936	267022681	/nfs/dbraw/zinc/02/26/81/267022681.db2.gz	UHFYVOOFRUBXCA-CYBMUJFWSA-N	0	3	317.408	2.528	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cc2Br)CCN1C	ZINC000351067513	267107629	/nfs/dbraw/zinc/10/76/29/267107629.db2.gz	WAGFHHNURYLSRV-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCCN1C	ZINC000345098414	267110462	/nfs/dbraw/zinc/11/04/62/267110462.db2.gz	OYADRPPTIWLLPY-ZWNOBZJWSA-N	0	3	306.797	2.816	20	30		DFEDHN
CCOC(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000494975378	267120898	/nfs/dbraw/zinc/12/08/98/267120898.db2.gz	ZHGDLJKLBIMIBR-GFCCVEGCSA-N	0	3	319.380	2.969	20	30		DFEDHN
C[C@H](NC(=O)c1ncc(C#N)cc1Cl)C1=CCN(C)CC1	ZINC000329295146	267122164	/nfs/dbraw/zinc/12/21/64/267122164.db2.gz	JWTUDVMDEBIHES-JTQLQIEISA-N	0	3	304.781	2.562	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(OC)c1	ZINC000449507007	267131809	/nfs/dbraw/zinc/13/18/09/267131809.db2.gz	DGWHAKQJAQDZQS-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000451536851	267148088	/nfs/dbraw/zinc/14/80/88/267148088.db2.gz	IHRIHRQAJRGPHJ-GOEBONIOSA-N	0	3	318.417	2.693	20	30		DFEDHN
C[C@H](NCc1nc(C#N)cs1)[C@H](c1ccccc1)N(C)C	ZINC000352861375	267186209	/nfs/dbraw/zinc/18/62/09/267186209.db2.gz	HNRDWVAHFVCTPO-BLLLJJGKSA-N	0	3	300.431	2.796	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1Cc1cn2ccccc2c1C#N	ZINC000343914402	267242178	/nfs/dbraw/zinc/24/21/78/267242178.db2.gz	FPYHCZGNKMZRBX-DOTOQJQBSA-N	0	3	308.429	2.870	20	30		DFEDHN
CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H]1CCCN(C)C1	ZINC000455747579	267271802	/nfs/dbraw/zinc/27/18/02/267271802.db2.gz	BGSVHMZMPCVLEH-KRWDZBQOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000454353861	267278780	/nfs/dbraw/zinc/27/87/80/267278780.db2.gz	CXXZGNAPTJRCBN-UHFFFAOYSA-N	0	3	305.426	2.576	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)/C=C\c2ccc(C#N)cc2)c1	ZINC000491027410	267283521	/nfs/dbraw/zinc/28/35/21/267283521.db2.gz	YRLRSRRLUUUYQQ-KHPPLWFESA-N	0	3	319.408	2.949	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)CC(C)C	ZINC000178542802	267284815	/nfs/dbraw/zinc/28/48/15/267284815.db2.gz	YEEBPZTUSJZROV-UHFFFAOYSA-N	0	3	302.422	2.918	20	30		DFEDHN
CN(C)[C@H](CNC(=O)/C=C\c1cccc(C#N)c1)c1ccccc1	ZINC000491094774	267288827	/nfs/dbraw/zinc/28/88/27/267288827.db2.gz	YMJSNUNLKQWPKS-YAINUAMHSA-N	0	3	319.408	2.991	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H](CO)C(C)(C)C	ZINC000441109487	267314775	/nfs/dbraw/zinc/31/47/75/267314775.db2.gz	XRUJDQGXLAVKGP-AWEZNQCLSA-N	0	3	312.360	2.998	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)n1C	ZINC000450349113	267320693	/nfs/dbraw/zinc/32/06/93/267320693.db2.gz	NASGZCXLOREYOW-UHFFFAOYSA-N	0	3	324.428	2.537	20	30		DFEDHN
CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21	ZINC000528004435	267329861	/nfs/dbraw/zinc/32/98/61/267329861.db2.gz	RIFZKAQYVNPNGD-OALUTQOASA-N	0	3	317.392	2.962	20	30		DFEDHN
CN1CCC[C@H](CNc2cncc(C#N)n2)[C@@H]1c1cccs1	ZINC000420606645	267338342	/nfs/dbraw/zinc/33/83/42/267338342.db2.gz	XWPNKVBEOZIWGB-MLGOLLRUSA-N	0	3	313.430	2.905	20	30		DFEDHN
COC(=O)[C@]1(c2ccccc2)CCN(Cc2cccc(C#N)c2)C1	ZINC000428773366	267396070	/nfs/dbraw/zinc/39/60/70/267396070.db2.gz	QLLAYZCOUFKFSR-HXUWFJFHSA-N	0	3	320.392	2.875	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000515817450	267784829	/nfs/dbraw/zinc/78/48/29/267784829.db2.gz	TZQYCEAQCGXJJY-DOMZBBRYSA-N	0	3	317.820	2.910	20	30		DFEDHN
N#Cc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1	ZINC000011095781	425706871	/nfs/dbraw/zinc/70/68/71/425706871.db2.gz	IFRVCDBJUYJJBM-UHFFFAOYSA-N	0	3	305.381	2.975	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)N(C)C	ZINC000025149087	425801683	/nfs/dbraw/zinc/80/16/83/425801683.db2.gz	KWEKQLHPCFPYNX-INIZCTEOSA-N	0	3	306.409	2.766	20	30		DFEDHN
COC(=O)[C@@](C)(CNCc1cccc(C#N)c1)c1ccccc1	ZINC000191581948	268006545	/nfs/dbraw/zinc/00/65/45/268006545.db2.gz	OKUVTPGVNVQNSU-IBGZPJMESA-N	0	3	308.381	2.779	20	30		DFEDHN
Cc1cc(NC[C@@]2(N(C)C)CCSC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413167508	268011578	/nfs/dbraw/zinc/01/15/78/268011578.db2.gz	HZBGUUJURMOKHG-HNNXBMFYSA-N	0	3	320.418	2.624	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2cscc2C#N)N(C)C)cc1	ZINC000433101260	268045895	/nfs/dbraw/zinc/04/58/95/268045895.db2.gz	DLERBWIETFDMBX-INIZCTEOSA-N	0	3	313.426	2.961	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000047051962	425867985	/nfs/dbraw/zinc/86/79/85/425867985.db2.gz	CRSKWDYJWLWCLL-OAHLLOKOSA-N	0	3	316.449	2.848	20	30		DFEDHN
N#Cc1ccc(CN2CCC(N[C@H]3CCC[C@H]3C#N)CC2)cc1	ZINC000350391282	268065911	/nfs/dbraw/zinc/06/59/11/268065911.db2.gz	LWCZIHJKWQMZEQ-HKUYNNGSSA-N	0	3	308.429	2.805	20	30		DFEDHN
Cc1ccoc1CN(C)CCC(=O)Nc1sccc1C#N	ZINC000429386366	268066142	/nfs/dbraw/zinc/06/61/42/268066142.db2.gz	JMLICBBAWWDCRV-UHFFFAOYSA-N	0	3	303.387	2.982	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C3CC3)C2)cc1	ZINC000290734392	268083826	/nfs/dbraw/zinc/08/38/26/268083826.db2.gz	WUUDFCLDRQMEKZ-MSOLQXFVSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccsc3C2)cc1	ZINC000280145991	268089954	/nfs/dbraw/zinc/08/99/54/268089954.db2.gz	RIJYFLDPYHILDZ-MRXNPFEDSA-N	0	3	321.405	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2)cc1	ZINC000347955766	268091344	/nfs/dbraw/zinc/09/13/44/268091344.db2.gz	LALQBXWLVOJSQD-GOSISDBHSA-N	0	3	303.365	2.599	20	30		DFEDHN
CC(C)[C@H]1OCC[C@H]1CN[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000267422512	268181050	/nfs/dbraw/zinc/18/10/50/268181050.db2.gz	LBJNVICOPGVJKG-JLJPHGGASA-N	0	3	315.417	2.536	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C(N)=O)cc1	ZINC000341757470	268219410	/nfs/dbraw/zinc/21/94/10/268219410.db2.gz	KBGUVDPWHWTHLN-GOSISDBHSA-N	0	3	305.381	2.824	20	30		DFEDHN
N#Cc1ccc(CN2CCN(CC3CC3)CC2)c(OC(F)F)c1	ZINC000437421455	268220316	/nfs/dbraw/zinc/22/03/16/268220316.db2.gz	VRPJWMZIQHULJC-UHFFFAOYSA-N	0	3	321.371	2.687	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1ccccc1F)CC2	ZINC000353245155	268223433	/nfs/dbraw/zinc/22/34/33/268223433.db2.gz	WAZPRTVDNIQYEQ-GOSISDBHSA-N	0	3	323.371	2.704	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@@H]3OC(F)F)n2c1	ZINC000342845310	268224959	/nfs/dbraw/zinc/22/49/59/268224959.db2.gz	IKPFPPAFVDRCCP-KGLIPLIRSA-N	0	3	320.343	2.846	20	30		DFEDHN
CN(C)[C@]1(CNc2nc3c(cc2C#N)CCCC3)CCSC1	ZINC000270961497	268241116	/nfs/dbraw/zinc/24/11/16/268241116.db2.gz	NZZLTDRQJXXLEQ-KRWDZBQOSA-N	0	3	316.474	2.681	20	30		DFEDHN
N#Cc1ccc([C@@H](NCC[C@@H]2CCc3ccccc32)C(N)=O)cc1	ZINC000419209224	268262138	/nfs/dbraw/zinc/26/21/38/268262138.db2.gz	SOVXBMOSACTOMT-QFBILLFUSA-N	0	3	319.408	2.794	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@H](c2ccccc2)C2CC2)C(N)=O)cc1	ZINC000431113120	268263280	/nfs/dbraw/zinc/26/32/80/268263280.db2.gz	RTRUYCACXGLQDM-MOPGFXCFSA-N	0	3	319.408	2.868	20	30		DFEDHN
N#Cc1ccccc1N1CCN(CCCc2ccncc2)CC1	ZINC000347292882	268276395	/nfs/dbraw/zinc/27/63/95/268276395.db2.gz	DOCIJYQFGKMRIO-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN2CCC[C@@](O)(CO)C2)cc1	ZINC000459653709	268294899	/nfs/dbraw/zinc/29/48/99/268294899.db2.gz	YDHPWOGCIFKPDJ-FQEVSTJZSA-N	0	3	322.408	2.544	20	30		DFEDHN
N#Cc1csc(CNCCc2c[nH]c3cc(F)ccc23)n1	ZINC000352843840	268320611	/nfs/dbraw/zinc/32/06/11/268320611.db2.gz	COFPKNIRGNXACR-UHFFFAOYSA-N	0	3	300.362	2.967	20	30		DFEDHN
N#Cc1csc(CNC[C@@H](CO)Cc2ccc(F)cc2)c1	ZINC000343659829	268320701	/nfs/dbraw/zinc/32/07/01/268320701.db2.gz	BQMKDENDTZEVON-AWEZNQCLSA-N	0	3	304.390	2.700	20	30		DFEDHN
N#Cc1csc(CNCCCN(C(=O)C2CCC2)C2CC2)c1	ZINC000344411486	268320744	/nfs/dbraw/zinc/32/07/44/268320744.db2.gz	DAQXNPRRPCNKKB-UHFFFAOYSA-N	0	3	317.458	2.891	20	30		DFEDHN
CC(C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000299574347	268320785	/nfs/dbraw/zinc/32/07/85/268320785.db2.gz	HKYMNYLGIFSERF-UHFFFAOYSA-N	0	3	307.397	2.699	20	30		DFEDHN
C[C@@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000308689378	268335164	/nfs/dbraw/zinc/33/51/64/268335164.db2.gz	DIACNHYPZSQHTK-PBHICJAKSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000316502941	268344603	/nfs/dbraw/zinc/34/46/03/268344603.db2.gz	ADVREYRGJIVBLB-GDBMZVCRSA-N	0	3	320.458	2.748	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320198562	268347691	/nfs/dbraw/zinc/34/76/91/268347691.db2.gz	QEIBOXXBMKKLCC-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCN(Cc3ccccc3)C[C@H](C)C2)n1	ZINC000324134761	268350307	/nfs/dbraw/zinc/35/03/07/268350307.db2.gz	KWCXSAWBRQGXCC-HNNXBMFYSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC1	ZINC000324812109	268351013	/nfs/dbraw/zinc/35/10/13/268351013.db2.gz	SRPHGYGWSLZFJV-QGZVFWFLSA-N	0	3	320.458	2.890	20	30		DFEDHN
CC[C@H](F)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000331303766	268356049	/nfs/dbraw/zinc/35/60/49/268356049.db2.gz	QPBAVBVOJYNZPS-HNNXBMFYSA-N	0	3	303.381	2.957	20	30		DFEDHN
COc1ccc(CN[C@H](CN(C)C)c2ccccc2)cc1C#N	ZINC000124930194	425945626	/nfs/dbraw/zinc/94/56/26/425945626.db2.gz	LQOYRZHWGBENFR-GOSISDBHSA-N	0	3	309.413	2.959	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000125168628	425955965	/nfs/dbraw/zinc/95/59/65/425955965.db2.gz	MIMYOSIHVGLGDD-CRAIPNDOSA-N	0	3	321.428	2.838	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1	ZINC000105905326	425969679	/nfs/dbraw/zinc/96/96/79/425969679.db2.gz	CNIVTIWBHHKGEB-KRWDZBQOSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cn2ccc3ccccc32)CC1	ZINC000106034862	425970087	/nfs/dbraw/zinc/97/00/87/425970087.db2.gz	XZNOYCRALYARCB-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1	ZINC000106040023	425971021	/nfs/dbraw/zinc/97/10/21/425971021.db2.gz	HMMXKZSMCFNVEZ-UHFFFAOYSA-N	0	3	311.429	2.867	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000106252975	425971375	/nfs/dbraw/zinc/97/13/75/425971375.db2.gz	QUVZCMJTAFORMA-UHFFFAOYSA-N	0	3	319.424	2.974	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2cccc(C)c2)CC1	ZINC000106268455	425971688	/nfs/dbraw/zinc/97/16/88/425971688.db2.gz	LQEZNFACKNQJEN-UHFFFAOYSA-N	0	3	315.461	2.877	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CCC)CC(F)F)CC1	ZINC000106275673	425972023	/nfs/dbraw/zinc/97/20/23/425972023.db2.gz	MAYMYJRKNHTIOK-UHFFFAOYSA-N	0	3	303.397	2.714	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1	ZINC000106291185	425972194	/nfs/dbraw/zinc/97/21/94/425972194.db2.gz	DPYHFTCLBLMUGM-UHFFFAOYSA-N	0	3	301.434	2.523	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000106325711	425973545	/nfs/dbraw/zinc/97/35/45/425973545.db2.gz	NPQJDDKHMBZLDM-UHFFFAOYSA-N	0	3	316.380	2.859	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000126557186	426025510	/nfs/dbraw/zinc/02/55/10/426025510.db2.gz	BIFIJIFRMUQHHY-GOEBONIOSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1	ZINC000074130256	426041181	/nfs/dbraw/zinc/04/11/81/426041181.db2.gz	KJEHTKAISSSXND-YJBOKZPZSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N(CC)CC)C2)c1C	ZINC000072834391	426020686	/nfs/dbraw/zinc/02/06/86/426020686.db2.gz	JGNSTHCRMIRRMC-QGZVFWFLSA-N	0	3	317.477	2.890	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000127953162	426094612	/nfs/dbraw/zinc/09/46/12/426094612.db2.gz	NNPIFMCZIDWNQP-SJLPKXTDSA-N	0	3	300.402	2.564	20	30		DFEDHN
COc1ccc(CN(C)C[C@H]2CCCO2)cc1OCCCC#N	ZINC000128101614	426101546	/nfs/dbraw/zinc/10/15/46/426101546.db2.gz	UJUPHASRSWUPLP-MRXNPFEDSA-N	0	3	318.417	2.989	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C(C)C	ZINC000076711362	426117091	/nfs/dbraw/zinc/11/70/91/426117091.db2.gz	QTUGWEDAFXVLEY-CRAIPNDOSA-N	0	3	301.434	2.981	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000128485437	426118749	/nfs/dbraw/zinc/11/87/49/426118749.db2.gz	DEOIUTKMOYEVHD-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N(CC)C[C@@H](C)C#N	ZINC000128732720	426130714	/nfs/dbraw/zinc/13/07/14/426130714.db2.gz	HGTTUFZHQQXOQN-WMZOPIPTSA-N	0	3	315.461	2.948	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H](CCO)c1ccccc1	ZINC000077451594	426134099	/nfs/dbraw/zinc/13/40/99/426134099.db2.gz	ORIFOEDSRUGVFA-SFHVURJKSA-N	0	3	309.409	2.954	20	30		DFEDHN
C=CCCCN(C)Cc1cc2c(cc1OCCOC)OCO2	ZINC000128885769	426136885	/nfs/dbraw/zinc/13/68/85/426136885.db2.gz	VBLGODCIMSGPDE-UHFFFAOYSA-N	0	3	307.390	2.839	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(C)[C@@H](c1ccccc1C)C(C)C	ZINC000112357865	426074902	/nfs/dbraw/zinc/07/49/02/426074902.db2.gz	CIFVTRDYSKPNLM-QGZVFWFLSA-N	0	3	317.433	2.636	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000116959976	426202462	/nfs/dbraw/zinc/20/24/62/426202462.db2.gz	WCFRVRATPOMXHI-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2nc3ccccc3o2)CC1	ZINC000171724156	426206737	/nfs/dbraw/zinc/20/67/37/426206737.db2.gz	HCQUQTMXHZYANM-BQYQJAHWSA-N	0	3	311.385	2.608	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nc(C3CC3)cs2)CC1	ZINC000171679949	426203964	/nfs/dbraw/zinc/20/39/64/426203964.db2.gz	YRYKATFZRASLGR-UHFFFAOYSA-N	0	3	306.435	2.792	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)c(F)cc2F)CC1	ZINC000129953625	426142939	/nfs/dbraw/zinc/14/29/39/426142939.db2.gz	WQCJFRINEXSJII-UHFFFAOYSA-N	0	3	312.335	2.874	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1C#N	ZINC000135091647	426205092	/nfs/dbraw/zinc/20/50/92/426205092.db2.gz	IDUPKGIYFASMJP-INIZCTEOSA-N	0	3	322.412	2.896	20	30		DFEDHN
CN(CCC#N)C(=O)CCN(Cc1cccc(F)c1)C1CC1	ZINC000131188714	426164076	/nfs/dbraw/zinc/16/40/76/426164076.db2.gz	UFLRIPWSQMZJOZ-UHFFFAOYSA-N	0	3	303.381	2.552	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(CN2CCC(C#N)CC2)CC1	ZINC000171036420	426165565	/nfs/dbraw/zinc/16/55/65/426165565.db2.gz	GBCLNCIQSBKWEB-UHFFFAOYSA-N	0	3	307.438	2.869	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ncc(C)s2)CC1	ZINC000078324810	426165720	/nfs/dbraw/zinc/16/57/20/426165720.db2.gz	JSXCSYHSGXGIGG-CYBMUJFWSA-N	0	3	322.478	2.852	20	30		DFEDHN
C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@H](c2ccco2)C1	ZINC000131743810	426165854	/nfs/dbraw/zinc/16/58/54/426165854.db2.gz	OFRLVYPWBJCGMS-CABCVRRESA-N	0	3	303.406	2.815	20	30		DFEDHN
C[C@@H](CCc1ccccc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594993	426168973	/nfs/dbraw/zinc/16/89/73/426168973.db2.gz	KECNZJGAQRDHGA-KBXCAEBGSA-N	0	3	307.397	2.696	20	30		DFEDHN
C=CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	ZINC000132349766	426169097	/nfs/dbraw/zinc/16/90/97/426169097.db2.gz	JUTVMVOXFBJHSP-HNNXBMFYSA-N	0	3	319.401	2.742	20	30		DFEDHN
C[C@@H](CCc1ccccc1)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594989	426169455	/nfs/dbraw/zinc/16/94/55/426169455.db2.gz	KECNZJGAQRDHGA-KSSFIOAISA-N	0	3	307.397	2.696	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000171152006	426173307	/nfs/dbraw/zinc/17/33/07/426173307.db2.gz	AGDLGIOPCRWICW-AWEZNQCLSA-N	0	3	317.437	2.721	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000171201239	426176714	/nfs/dbraw/zinc/17/67/14/426176714.db2.gz	MRIWSDJFWMNXAV-MRXNPFEDSA-N	0	3	321.490	2.816	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)c1ccc(C#N)cn1	ZINC000081018840	426218196	/nfs/dbraw/zinc/21/81/96/426218196.db2.gz	OCKPRATXUSEOEK-UHFFFAOYSA-N	0	3	308.429	2.954	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCS[C@@H]3COCC[C@@H]32)cc1	ZINC000135528582	426221746	/nfs/dbraw/zinc/22/17/46/426221746.db2.gz	SNPTYWPPVAHVAF-DLBZAZTESA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1	ZINC000084182597	426234439	/nfs/dbraw/zinc/23/44/39/426234439.db2.gz	FSEREYSAVGSGEB-GFCCVEGCSA-N	0	3	305.447	2.860	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1	ZINC000084187155	426234560	/nfs/dbraw/zinc/23/45/60/426234560.db2.gz	BLASQNYKDYQUKT-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2cccc(C)c2)CC1	ZINC000171724671	426206848	/nfs/dbraw/zinc/20/68/48/426206848.db2.gz	GZYVSKMQSBTWFG-UHFFFAOYSA-N	0	3	316.445	2.921	20	30		DFEDHN
COC(=O)[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000135180237	426208738	/nfs/dbraw/zinc/20/87/38/426208738.db2.gz	GBXLUTIGRWKGGW-OAHLLOKOSA-N	0	3	300.402	2.873	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2SCCc3ccccc32)CC1	ZINC000080079666	426210616	/nfs/dbraw/zinc/21/06/16/426210616.db2.gz	LFCLONJFNZXJLP-QGZVFWFLSA-N	0	3	316.470	2.784	20	30		DFEDHN
COC[C@@](C)(CC(=O)OC)NCc1ccccc1C(C)(C)C#N	ZINC000135275796	426212078	/nfs/dbraw/zinc/21/20/78/426212078.db2.gz	JYSCFEILKITYKU-GOSISDBHSA-N	0	3	318.417	2.546	20	30		DFEDHN
CCN1CC[C@@H]2OCCN(Cc3ccc(C#N)cc3Cl)[C@@H]2C1	ZINC000339389336	268804696	/nfs/dbraw/zinc/80/46/96/268804696.db2.gz	GAMGSQVXXKGMMI-SJORKVTESA-N	0	3	319.836	2.507	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@H](Oc3cccnc3)C2)c1	ZINC000152280299	426335120	/nfs/dbraw/zinc/33/51/20/426335120.db2.gz	OEUFBQDFROHYLD-IBGZPJMESA-N	0	3	323.396	2.875	20	30		DFEDHN
C#CCSCCNCc1ccc(OC)cc1OC(F)F	ZINC000152913966	426360767	/nfs/dbraw/zinc/36/07/67/426360767.db2.gz	FTLVBKRBVQOZTF-UHFFFAOYSA-N	0	3	301.358	2.753	20	30		DFEDHN
CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(C#N)cc1	ZINC000176210820	426361277	/nfs/dbraw/zinc/36/12/77/426361277.db2.gz	CCRYKCVMUGBPIB-CYBMUJFWSA-N	0	3	313.361	2.746	20	30		DFEDHN
C#CCSCCNCc1cc(OC)c(OCC)c(OC)c1	ZINC000152942025	426362699	/nfs/dbraw/zinc/36/26/99/426362699.db2.gz	LUKRVYHHDNTBBL-UHFFFAOYSA-N	0	3	309.431	2.559	20	30		DFEDHN
C#CCSCCNCc1ccc(OC(F)F)c(OC)c1	ZINC000152945398	426362885	/nfs/dbraw/zinc/36/28/85/426362885.db2.gz	GVTFGRQCCPDNDC-UHFFFAOYSA-N	0	3	301.358	2.753	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[C@H](N)c1ccccc1	ZINC000152968565	426364043	/nfs/dbraw/zinc/36/40/43/426364043.db2.gz	DBOOPLXCWROBRP-AAEUAGOBSA-N	0	3	300.324	2.899	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC(C)(C)OC)CC1	ZINC000176498235	426387794	/nfs/dbraw/zinc/38/77/94/426387794.db2.gz	PBLQGGVUUSJEAP-AWEZNQCLSA-N	0	3	311.470	2.530	20	30		DFEDHN
CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000153827408	426409445	/nfs/dbraw/zinc/40/94/45/426409445.db2.gz	NVZGIGOPSSWBGK-HNNXBMFYSA-N	0	3	313.445	2.931	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCc3c(F)cccc3F)n2c1	ZINC000123360655	426428895	/nfs/dbraw/zinc/42/88/95/426428895.db2.gz	ZYDQAQZLRRMJBO-UHFFFAOYSA-N	0	3	312.323	2.816	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123387099	426430681	/nfs/dbraw/zinc/43/06/81/426430681.db2.gz	ZTJSJLDSARGQCV-RHSMWYFYSA-N	0	3	312.417	2.891	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)CSc1ccc(C#N)cc1	ZINC000177032879	426436606	/nfs/dbraw/zinc/43/66/06/426436606.db2.gz	ZVOXVSNDEWCPBS-HNNXBMFYSA-N	0	3	317.458	2.593	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000123643300	426444647	/nfs/dbraw/zinc/44/46/47/426444647.db2.gz	KJVMFNGIWAVOEN-KRWDZBQOSA-N	0	3	324.428	2.625	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@@H]1C	ZINC000340965880	269030037	/nfs/dbraw/zinc/03/00/37/269030037.db2.gz	CFAUARMRVSWGGK-STQMWFEESA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@H]1C	ZINC000340965878	269030137	/nfs/dbraw/zinc/03/01/37/269030137.db2.gz	CFAUARMRVSWGGK-OLZOCXBDSA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)Nc1cccc(C#N)c1	ZINC000341272654	269057349	/nfs/dbraw/zinc/05/73/49/269057349.db2.gz	ZAFFCYQGVVYDOY-KBPBESRZSA-N	0	3	300.406	2.943	20	30		DFEDHN
C[C@@H](CC(=O)Nc1ccccc1)NCCOc1ccc(C#N)cc1	ZINC000177378189	426474180	/nfs/dbraw/zinc/47/41/80/426474180.db2.gz	PHGDUYRBMLZYNB-HNNXBMFYSA-N	0	3	323.396	2.944	20	30		DFEDHN
CN(C)CCOc1ccc(CNCc2cc(C#N)cs2)cc1	ZINC000177686618	426506517	/nfs/dbraw/zinc/50/65/17/426506517.db2.gz	HUUVKWUUSWOSHY-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000186344841	426508337	/nfs/dbraw/zinc/50/83/37/426508337.db2.gz	WVDBXEKXDNVZNK-JKSUJKDBSA-N	0	3	321.465	2.512	20	30		DFEDHN
CC(C)OCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280175359	426512021	/nfs/dbraw/zinc/51/20/21/426512021.db2.gz	XXEQUGJMMHKBGU-QGZVFWFLSA-N	0	3	313.401	2.562	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)C2(C#N)CCCC2)CCN1Cc1ccccc1	ZINC000288205992	426516551	/nfs/dbraw/zinc/51/65/51/426516551.db2.gz	MMFYRWKVDYHEKW-RDJZCZTQSA-N	0	3	311.429	2.850	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000288264893	426517650	/nfs/dbraw/zinc/51/76/50/426517650.db2.gz	GRPZLBQWPNGCQU-GXTWGEPZSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)cc2F)CC1	ZINC000264327605	426536120	/nfs/dbraw/zinc/53/61/20/426536120.db2.gz	CTEGLSNCGJNPEE-UHFFFAOYSA-N	0	3	323.387	2.757	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000264380696	426545610	/nfs/dbraw/zinc/54/56/10/426545610.db2.gz	LCRRSLPNYCKYES-UHFFFAOYSA-N	0	3	318.377	2.757	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000272525391	426547907	/nfs/dbraw/zinc/54/79/07/426547907.db2.gz	DSEPQEYXZJTVJX-WMLDXEAASA-N	0	3	317.433	2.502	20	30		DFEDHN
COC(=O)c1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000177993901	426551977	/nfs/dbraw/zinc/55/19/77/426551977.db2.gz	QLNIYXMPASBVID-SFHVURJKSA-N	0	3	324.380	2.510	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCN(CC2CCOCC2)CC1	ZINC000186282118	426499941	/nfs/dbraw/zinc/49/99/41/426499941.db2.gz	NDMMXLWRZZYWQW-INIZCTEOSA-N	0	3	313.445	2.663	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1	ZINC000177649423	426501367	/nfs/dbraw/zinc/50/13/67/426501367.db2.gz	YEFJJLABOPGKCM-AWEZNQCLSA-N	0	3	316.367	2.569	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288081498	426504993	/nfs/dbraw/zinc/50/49/93/426504993.db2.gz	FYDYCYKMBUACHI-UGSOOPFHSA-N	0	3	323.396	2.853	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288081490	426505455	/nfs/dbraw/zinc/50/54/55/426505455.db2.gz	FYDYCYKMBUACHI-FZKQIMNGSA-N	0	3	323.396	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2cc(C)ccc2C)CC1	ZINC000264512408	426567059	/nfs/dbraw/zinc/56/70/59/426567059.db2.gz	UDRQUAUWTHTCLW-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
CCC[C@@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264863125	426578270	/nfs/dbraw/zinc/57/82/70/426578270.db2.gz	PHEZQKYIJJYCHM-OAHLLOKOSA-N	0	3	306.406	2.628	20	30		DFEDHN
Cc1ncsc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280453374	426579378	/nfs/dbraw/zinc/57/93/78/426579378.db2.gz	NUCSCNWFOVHGNL-HNNXBMFYSA-N	0	3	324.409	2.664	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1ccc(/C=N/OC)cc1	ZINC000265030007	426580989	/nfs/dbraw/zinc/58/09/89/426580989.db2.gz	XJSNHPHHDFZLAM-TYSUYXETSA-N	0	3	317.433	2.661	20	30		DFEDHN
CN(C)c1ncccc1O[C@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000289286324	426621464	/nfs/dbraw/zinc/62/14/64/426621464.db2.gz	GQONVFWXEADTFI-KRWDZBQOSA-N	0	3	322.412	2.673	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@@](C)(OC)CC1	ZINC000280550221	426599041	/nfs/dbraw/zinc/59/90/41/426599041.db2.gz	QJEJLFSOZNGWHC-GOSISDBHSA-N	0	3	318.417	2.837	20	30		DFEDHN
N#Cc1ccc(CNCCCCn2cc(Br)cn2)o1	ZINC000280573579	426605344	/nfs/dbraw/zinc/60/53/44/426605344.db2.gz	LWUXIEFAPYLUTH-UHFFFAOYSA-N	0	3	323.194	2.680	20	30		DFEDHN
C#CCOc1cc(F)ccc1NC(=O)CC1CCN(C)CC1	ZINC000273186424	426611730	/nfs/dbraw/zinc/61/17/30/426611730.db2.gz	HFVDIAGDHRNFCJ-UHFFFAOYSA-N	0	3	304.365	2.508	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)CC1(N(C)C)CCC1	ZINC000186993990	426617515	/nfs/dbraw/zinc/61/75/15/426617515.db2.gz	YGAHOTPEQJNJAS-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1	ZINC000264479359	426561242	/nfs/dbraw/zinc/56/12/42/426561242.db2.gz	LAFMTADXOMQXOX-SJORKVTESA-N	0	3	302.393	2.696	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(CCN(C)C)Cc1cccs1	ZINC000280674878	426631138	/nfs/dbraw/zinc/63/11/38/426631138.db2.gz	QEVYVCXYVIQSIO-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN(CC2CC2)CC2CCC2)cc1	ZINC000280702242	426637065	/nfs/dbraw/zinc/63/70/65/426637065.db2.gz	IOMZVBRGJPZCSK-UHFFFAOYSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=CCN1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1	ZINC000265500562	426648783	/nfs/dbraw/zinc/64/87/83/426648783.db2.gz	HYWLMDAYSIXMRQ-UHFFFAOYSA-N	0	3	304.344	2.970	20	30		DFEDHN
Cc1ccnc(NCC2CCN(c3ccncc3)CC2)c1C#N	ZINC000273372196	426651645	/nfs/dbraw/zinc/65/16/45/426651645.db2.gz	RTNMVJMJGPEJTM-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
Cc1ccnc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000273370606	426652460	/nfs/dbraw/zinc/65/24/60/426652460.db2.gz	RSNDIOIWXIJYFE-GASCZTMLSA-N	0	3	302.422	2.563	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1cccc(F)c1	ZINC000289429083	426654102	/nfs/dbraw/zinc/65/41/02/426654102.db2.gz	KIUQFBXEGJUUPK-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H](CN2CCCC2)c2ccccc2)n1	ZINC000280654066	426626660	/nfs/dbraw/zinc/62/66/60/426626660.db2.gz	AMKPACHHGGQCGI-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
CC[C@@H](CNCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000227713015	426630010	/nfs/dbraw/zinc/63/00/10/426630010.db2.gz	HCKBEOHIDSHHQM-HNNXBMFYSA-N	0	3	303.406	2.951	20	30		DFEDHN
C=C[C@@H](C)NCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000237061998	426689125	/nfs/dbraw/zinc/68/91/25/426689125.db2.gz	NNLXDQCWZNQDEY-ZIAGYGMSSA-N	0	3	320.433	2.605	20	30		DFEDHN
CNC(=O)[C@]1(C)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000281112913	426702825	/nfs/dbraw/zinc/70/28/25/426702825.db2.gz	NJATWQDEGJZKAZ-MRXNPFEDSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@@H](C)c2ccc(OC)cc2)C1=O	ZINC000281229986	426706730	/nfs/dbraw/zinc/70/67/30/426706730.db2.gz	KYRIUMLLEOUWPH-RHSMWYFYSA-N	0	3	302.418	2.517	20	30		DFEDHN
Cc1ccc([C@@H](O)CNCc2ccc(N(C)CCC#N)cc2)o1	ZINC000265926390	426711948	/nfs/dbraw/zinc/71/19/48/426711948.db2.gz	CRHCPVNBWCDKPK-KRWDZBQOSA-N	0	3	313.401	2.761	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(C)OC(C)(C)C2)CC1	ZINC000188000674	426713637	/nfs/dbraw/zinc/71/36/37/426713637.db2.gz	XTDUBAAPHABMJN-UHFFFAOYSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)[C@@H](N[C@@H](C)CN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187773929	426692574	/nfs/dbraw/zinc/69/25/74/426692574.db2.gz	LWNYNTSUSIVSCU-SUMWQHHRSA-N	0	3	310.388	2.892	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)CSc2ccc(C#N)cc2)C1	ZINC000274443002	426770187	/nfs/dbraw/zinc/77/01/87/426770187.db2.gz	HSPQZIQYROPUBE-OAHLLOKOSA-N	0	3	317.458	2.639	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000290289155	426734047	/nfs/dbraw/zinc/73/40/47/426734047.db2.gz	BKVZYIOMPASEDR-INIZCTEOSA-N	0	3	315.348	2.632	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(C#N)cs1	ZINC000246179060	426807769	/nfs/dbraw/zinc/80/77/69/426807769.db2.gz	SZBLFSBBJFYWBD-UPJWGTAASA-N	0	3	305.447	2.716	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267089324	426824353	/nfs/dbraw/zinc/82/43/53/426824353.db2.gz	UMKSHTLTRJNHCF-GFCCVEGCSA-N	0	3	312.339	2.893	20	30		DFEDHN
COc1cccc(N2CC[C@H](NCc3ccc(C#N)s3)C2)c1	ZINC000267155554	426832974	/nfs/dbraw/zinc/83/29/74/426832974.db2.gz	DJOBNQBRIJSQSO-ZDUSSCGKSA-N	0	3	313.426	2.997	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000246419776	426833128	/nfs/dbraw/zinc/83/31/28/426833128.db2.gz	IFYAXNADUHBYBS-KEYYUXOJSA-N	0	3	320.458	2.746	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H]1Cn1ccnc1C	ZINC000180129298	426838315	/nfs/dbraw/zinc/83/83/15/426838315.db2.gz	UDOBQSNSSGUMSQ-SFHVURJKSA-N	0	3	309.413	2.868	20	30		DFEDHN
C=C(C)CCN1CCCN(Cc2ccc(OC)cc2)C(=O)C1	ZINC000274861654	426854011	/nfs/dbraw/zinc/85/40/11/426854011.db2.gz	UKNHJPRHMHQTON-UHFFFAOYSA-N	0	3	302.418	2.696	20	30		DFEDHN
CCN1CCCN(c2cccc(Br)c2C#N)CC1	ZINC000290547983	426790410	/nfs/dbraw/zinc/79/04/10/426790410.db2.gz	JDTVEWVIRGHAAO-UHFFFAOYSA-N	0	3	308.223	2.853	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC1	ZINC000180508734	426867533	/nfs/dbraw/zinc/86/75/33/426867533.db2.gz	UBODHXLKIZJTLF-ZDUSSCGKSA-N	0	3	318.383	2.815	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21	ZINC000247008482	426890509	/nfs/dbraw/zinc/89/05/09/426890509.db2.gz	UIKLETWNNVQMJJ-YQQAZPJKSA-N	0	3	316.445	2.954	20	30		DFEDHN
COc1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1C#N	ZINC000282419956	426908054	/nfs/dbraw/zinc/90/80/54/426908054.db2.gz	SPODLGOXRFYUEC-AEFFLSMTSA-N	0	3	300.402	2.694	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CSCC#N)[C@H]1c1cccs1	ZINC000247152647	426910719	/nfs/dbraw/zinc/91/07/19/426910719.db2.gz	AFCJCZFIUFQHFS-WFASDCNBSA-N	0	3	323.487	2.504	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CC[C@](C)(c2ccccc2)C1	ZINC000275762702	426912326	/nfs/dbraw/zinc/91/23/26/426912326.db2.gz	TYDWAIUHYQZZLJ-IRXDYDNUSA-N	0	3	307.459	2.687	20	30		DFEDHN
C[C@H](NCc1cccnc1-n1cccn1)c1cccc(C#N)c1	ZINC000181474063	426949812	/nfs/dbraw/zinc/94/98/12/426949812.db2.gz	LHWYTMTUJNZFJG-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000275934115	426951337	/nfs/dbraw/zinc/95/13/37/426951337.db2.gz	CUUDEJJRCNVVJB-PKOBYXMFSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(C)cc2)CC1	ZINC000181621699	426967386	/nfs/dbraw/zinc/96/73/86/426967386.db2.gz	RXSPFZPPGOBGKR-MRXNPFEDSA-N	0	3	300.446	2.940	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)c1ccc(C#N)cn1	ZINC000268294393	426980557	/nfs/dbraw/zinc/98/05/57/426980557.db2.gz	FJLGOMLMKVITAS-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000291768700	426981804	/nfs/dbraw/zinc/98/18/04/426981804.db2.gz	MJAGHOBYXOUMSM-CQSZACIVSA-N	0	3	312.417	2.896	20	30		DFEDHN
N#Cc1csc(CNCc2ccccc2Cn2cncn2)c1	ZINC000337815838	426983356	/nfs/dbraw/zinc/98/33/56/426983356.db2.gz	OCEHJSYOBZQOSM-UHFFFAOYSA-N	0	3	309.398	2.549	20	30		DFEDHN
CC(C)(C)n1ncnc1CNC(=O)[C@H]1CCCN1C1CCCC1	ZINC000328657423	426986255	/nfs/dbraw/zinc/98/62/55/426986255.db2.gz	OZAFQQCXLJOIHP-CQSZACIVSA-N	0	3	319.453	2.897	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2cccc(C#N)n2)CC1	ZINC000275856514	426933213	/nfs/dbraw/zinc/93/32/13/426933213.db2.gz	XESUKXFTUKSIGK-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1	ZINC000268570841	427056373	/nfs/dbraw/zinc/05/63/73/427056373.db2.gz	RDGTXRNCCXBMFQ-WMZOPIPTSA-N	0	3	318.461	2.701	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCO[C@@H]1c1cccnc1	ZINC000329196523	427060134	/nfs/dbraw/zinc/06/01/34/427060134.db2.gz	TUFIVNUXUFXMLI-LNCBFAARSA-N	0	3	303.406	2.741	20	30		DFEDHN
C[C@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccc(C#N)c1	ZINC000291822881	426998132	/nfs/dbraw/zinc/99/81/32/426998132.db2.gz	DQTBPCFXHWREPI-APHBMKBZSA-N	0	3	306.431	2.565	20	30		DFEDHN
O=C(NCC1(N2CCCC2)CCOCC1)c1ncoc1C1CC1	ZINC000328803321	426999740	/nfs/dbraw/zinc/99/97/40/426999740.db2.gz	JYCNTRLXLNJUTJ-UHFFFAOYSA-N	0	3	319.405	2.502	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H]2CC[C@H](C#N)C2)on1	ZINC000328827584	427002765	/nfs/dbraw/zinc/00/27/65/427002765.db2.gz	JOHQAMXARRPSJG-JONQDZQNSA-N	0	3	320.412	2.520	20	30		DFEDHN
O=C(Nc1nc2c(s1)CCCC2)N[C@H]1CCN(C2CC2)C1	ZINC000328871532	427007971	/nfs/dbraw/zinc/00/79/71/427007971.db2.gz	YIHQHRZKLQOKRS-JTQLQIEISA-N	0	3	306.435	2.585	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1OC	ZINC000190046488	427008431	/nfs/dbraw/zinc/00/84/31/427008431.db2.gz	BMRHZLKRCGBDGR-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC1)Nc1ccccc1F	ZINC000328903458	427008809	/nfs/dbraw/zinc/00/88/09/427008809.db2.gz	HXLWWOHRFHPFOG-XJKSGUPXSA-N	0	3	305.353	2.901	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(c2ccccc2)C1=O	ZINC000328946794	427014366	/nfs/dbraw/zinc/01/43/66/427014366.db2.gz	GRACKMIWJJSUME-OWCLPIDISA-N	0	3	315.417	2.527	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)CC1	ZINC000182212590	427028364	/nfs/dbraw/zinc/02/83/64/427028364.db2.gz	LCJKBTGMCPWQPX-HNAYVOBHSA-N	0	3	310.441	2.690	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1ccc2nsnc2c1	ZINC000329084758	427040436	/nfs/dbraw/zinc/04/04/36/427040436.db2.gz	FYGNKYIQNMGNHK-LLVKDONJSA-N	0	3	304.419	2.870	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000248794319	427044755	/nfs/dbraw/zinc/04/47/55/427044755.db2.gz	JCCYQRJRQRNJAE-JFIYKMOQSA-N	0	3	316.445	2.604	20	30		DFEDHN
Cc1nc(NCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C#N	ZINC000291997451	427051316	/nfs/dbraw/zinc/05/13/16/427051316.db2.gz	RBJXKUNPBKTZAF-ZIAGYGMSSA-N	0	3	302.422	2.563	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1C	ZINC000329146482	427053327	/nfs/dbraw/zinc/05/33/27/427053327.db2.gz	OLRFSTONTUNEPB-HNNXBMFYSA-N	0	3	319.453	2.626	20	30		DFEDHN
CN1CC=C(CNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)CC1	ZINC000329215998	427067458	/nfs/dbraw/zinc/06/74/58/427067458.db2.gz	NSGMAGJQIVLWQJ-HNNXBMFYSA-N	0	3	321.465	2.632	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2oc(CC(C)C)nc2C)CC1	ZINC000190313899	427072802	/nfs/dbraw/zinc/07/28/02/427072802.db2.gz	JOURZSUOYUQMQN-UHFFFAOYSA-N	0	3	305.422	2.562	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1	ZINC000329271928	427078434	/nfs/dbraw/zinc/07/84/34/427078434.db2.gz	HSBMOABDKFSLEY-CVEARBPZSA-N	0	3	321.465	2.608	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@@H](c3ncc[nH]3)C2)c1	ZINC000268647379	427080227	/nfs/dbraw/zinc/08/02/27/427080227.db2.gz	IUEVJNZUYUQLMG-MRXNPFEDSA-N	0	3	310.401	2.930	20	30		DFEDHN
C[C@H](CC(=O)N(C)C[C@H]1CCCN(C)C1)NC(=O)C1CCCC1	ZINC000329300644	427083733	/nfs/dbraw/zinc/08/37/33/427083733.db2.gz	MOOWLBXUBHTKCP-CABCVRRESA-N	0	3	323.481	2.712	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C)[C@H](OC)C2)cc(OC)c1O	ZINC000249107063	427089556	/nfs/dbraw/zinc/08/95/56/427089556.db2.gz	AAVFEKFVVVZVBP-CXAGYDPISA-N	0	3	305.418	2.986	20	30		DFEDHN
CC(=O)N1CCC(CCC(=O)N[C@H](C)C2=CCN(C)CC2)CC1	ZINC000329348496	427096250	/nfs/dbraw/zinc/09/62/50/427096250.db2.gz	SEFGPNOCHLZQOP-CQSZACIVSA-N	0	3	321.465	2.632	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329502721	427129302	/nfs/dbraw/zinc/12/93/02/427129302.db2.gz	KUWZHGPLXXINFR-GDBMZVCRSA-N	0	3	321.465	2.775	20	30		DFEDHN
COc1ccc([C@@H](OC)[C@H](C)NCc2cc(C#N)n(C)c2)cc1	ZINC000276578541	427103220	/nfs/dbraw/zinc/10/32/20/427103220.db2.gz	AWISCIDJDSXIMM-UGSOOPFHSA-N	0	3	313.401	2.771	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(C[C@H]3Cc4ccccc43)C2)nc1	ZINC000292142509	427106376	/nfs/dbraw/zinc/10/63/76/427106376.db2.gz	JOZAQXYQTFPTEN-SJORKVTESA-N	0	3	305.381	2.746	20	30		DFEDHN
CO[C@@H](c1ccccc1F)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000276614146	427115318	/nfs/dbraw/zinc/11/53/18/427115318.db2.gz	JHLSMITWYPYRGY-YVEFUNNKSA-N	0	3	301.365	2.902	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCCO1	ZINC000329460252	427119630	/nfs/dbraw/zinc/11/96/30/427119630.db2.gz	RVFWNFYUTWCOMR-CMPLNLGQSA-N	0	3	309.435	2.767	20	30		DFEDHN
CN1CC=C(CNC(=O)c2ccc(OC3CCCC3)nc2)CC1	ZINC000329481160	427125118	/nfs/dbraw/zinc/12/51/18/427125118.db2.gz	VTTASFFBNBOEGY-UHFFFAOYSA-N	0	3	315.417	2.970	20	30		DFEDHN
CCc1c(C(=O)NCC2=CCN(C)CC2)cnn1CC(C)C	ZINC000329214445	427064064	/nfs/dbraw/zinc/06/40/64/427064064.db2.gz	LDRSAZCFLYCWDN-UHFFFAOYSA-N	0	3	304.438	2.668	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1	ZINC000329508896	427132015	/nfs/dbraw/zinc/13/20/15/427132015.db2.gz	BIZFMIKVXIJETA-KBMXLJTQSA-N	0	3	319.453	2.579	20	30		DFEDHN
CC(C)(C)SCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292222441	427138002	/nfs/dbraw/zinc/13/80/02/427138002.db2.gz	PBQJZVDOTROCLS-CQSZACIVSA-N	0	3	305.447	2.938	20	30		DFEDHN
CC[C@H](C)N1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000296299147	427139606	/nfs/dbraw/zinc/13/96/06/427139606.db2.gz	ZRRIESYXYBBQMD-INIZCTEOSA-N	0	3	301.434	2.743	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@H]1C1CCCCC1)C1CC1	ZINC000249726742	427139948	/nfs/dbraw/zinc/13/99/48/427139948.db2.gz	QLGKMCHLTZACSV-FUHWJXTLSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182778171	427143856	/nfs/dbraw/zinc/14/38/56/427143856.db2.gz	YFNLYUZTSQKNTI-GOSISDBHSA-N	0	3	309.413	2.952	20	30		DFEDHN
N#CCCCNCc1cccc(I)c1	ZINC000284152198	427144772	/nfs/dbraw/zinc/14/47/72/427144772.db2.gz	ZISKFWNBLHEGQZ-UHFFFAOYSA-N	0	3	300.143	2.685	20	30		DFEDHN
CCc1nc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n[nH]1	ZINC000190691363	427164807	/nfs/dbraw/zinc/16/48/07/427164807.db2.gz	NNRSWCFXRFUPGT-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000190691363	427164812	/nfs/dbraw/zinc/16/48/12/427164812.db2.gz	NNRSWCFXRFUPGT-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)[nH]1	ZINC000190691363	427164815	/nfs/dbraw/zinc/16/48/15/427164815.db2.gz	NNRSWCFXRFUPGT-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H](C)N(C2CC2)C1=O)C(C)C	ZINC000277333818	427167192	/nfs/dbraw/zinc/16/71/92/427167192.db2.gz	MRGBSERUUNGEAA-ZBFHGGJFSA-N	0	3	319.449	2.500	20	30		DFEDHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CCN(C2CCC2)C1	ZINC000292401030	427179278	/nfs/dbraw/zinc/17/92/78/427179278.db2.gz	UYNVHZBTHQACTI-CYBMUJFWSA-N	0	3	314.389	2.777	20	30		DFEDHN
CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCCO2	ZINC000190841890	427187642	/nfs/dbraw/zinc/18/76/42/427187642.db2.gz	ZJKDJRWJLGTRJR-MRXNPFEDSA-N	0	3	311.385	2.909	20	30		DFEDHN
COC(=O)COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1	ZINC000183046762	427190202	/nfs/dbraw/zinc/19/02/02/427190202.db2.gz	FGRLGVNVRDJLFM-UHFFFAOYSA-N	0	3	324.380	2.742	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1	ZINC000183128899	427204323	/nfs/dbraw/zinc/20/43/23/427204323.db2.gz	LDVZVSBPQOQMLE-YCPHGPKFSA-N	0	3	322.474	2.808	20	30		DFEDHN
Cc1nc(N2CC[C@@]3(C2)CCCN(C)C3)c(Cl)cc1C#N	ZINC000292934433	427206753	/nfs/dbraw/zinc/20/67/53/427206753.db2.gz	ZRWGDTKTSDMLJO-INIZCTEOSA-N	0	3	304.825	2.837	20	30		DFEDHN
Cc1ccncc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000269498699	427210786	/nfs/dbraw/zinc/21/07/86/427210786.db2.gz	LCIKCFOLIRLELO-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H](C(C)C)C1(CO)CCC1	ZINC000293145300	427225231	/nfs/dbraw/zinc/22/52/31/427225231.db2.gz	TYEHUPPMAMIBEL-KRWDZBQOSA-N	0	3	302.418	2.844	20	30		DFEDHN
CC(C)OCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285414214	427228426	/nfs/dbraw/zinc/22/84/26/427228426.db2.gz	GBUVHOXDIYSFNI-UHFFFAOYSA-N	0	3	306.381	2.966	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cnc(C(C)(C)C)nc1	ZINC000330418964	427233629	/nfs/dbraw/zinc/23/36/29/427233629.db2.gz	FPPRDUZUEABBNG-ZDUSSCGKSA-N	0	3	319.453	2.974	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN[C@H](c2ccccc2)C2CC2)cc1	ZINC000269652421	427241144	/nfs/dbraw/zinc/24/11/44/427241144.db2.gz	CECRSHLKHFJHBY-HXUWFJFHSA-N	0	3	319.408	2.915	20	30		DFEDHN
CC[C@H]1CCCN1CC(=O)NC(=O)Nc1ccc(C)cc1C	ZINC000330518847	427256132	/nfs/dbraw/zinc/25/61/32/427256132.db2.gz	NFXZESTXIKXVEE-AWEZNQCLSA-N	0	3	303.406	2.840	20	30		DFEDHN
COc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1C#N	ZINC000269701483	427256236	/nfs/dbraw/zinc/25/62/36/427256236.db2.gz	MFGYPEKFAHEPSQ-SJLPKXTDSA-N	0	3	300.402	2.694	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(OCC(F)F)nc2)CCN1C	ZINC000330550634	427262272	/nfs/dbraw/zinc/26/22/72/427262272.db2.gz	XBPKETBSMAICME-PWSUYJOCSA-N	0	3	313.348	2.513	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)COc1ccc2ccccc2c1	ZINC000191143589	427269139	/nfs/dbraw/zinc/26/91/39/427269139.db2.gz	BWHURARNIJWJOS-GOSISDBHSA-N	0	3	315.413	2.714	20	30		DFEDHN
C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000277642771	427269821	/nfs/dbraw/zinc/26/98/21/427269821.db2.gz	DBVJMKVMVKFNLU-ZETOZRRWSA-N	0	3	321.808	2.553	20	30		DFEDHN
Cn1cc(CN2CCCN(Cc3ccccc3)CC2)cc1C#N	ZINC000191152817	427270799	/nfs/dbraw/zinc/27/07/99/427270799.db2.gz	PXQIRLMWLITAPG-UHFFFAOYSA-N	0	3	308.429	2.605	20	30		DFEDHN
CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000330614328	427275388	/nfs/dbraw/zinc/27/53/88/427275388.db2.gz	RZEFFMDVDGCTAP-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C1=CCN(C)CC1	ZINC000330784659	427302821	/nfs/dbraw/zinc/30/28/21/427302821.db2.gz	KICFVEZQEJXRNA-LBPRGKRZSA-N	0	3	317.437	2.750	20	30		DFEDHN
C=CCN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000277761789	427309594	/nfs/dbraw/zinc/30/95/94/427309594.db2.gz	KIOQUCMYACKRRR-UHFFFAOYSA-N	0	3	301.350	2.533	20	30		DFEDHN
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000330888975	427314060	/nfs/dbraw/zinc/31/40/60/427314060.db2.gz	AUYZEYMZFCDQEL-IUODEOHRSA-N	0	3	303.406	2.822	20	30		DFEDHN
CC(=O)Nc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1F	ZINC000330892182	427315623	/nfs/dbraw/zinc/31/56/23/427315623.db2.gz	DBBVGJNIMURIKX-GXFFZTMASA-N	0	3	307.369	2.571	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)N(C)C)c2)CCN1C	ZINC000330919577	427316370	/nfs/dbraw/zinc/31/63/70/427316370.db2.gz	YVQCJAVWNGCQPC-DOMZBBRYSA-N	0	3	318.421	2.581	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)OCC	ZINC000270035812	427318624	/nfs/dbraw/zinc/31/86/24/427318624.db2.gz	FOWPQJJWPORPOY-IAGOWNOFSA-N	0	3	304.434	2.777	20	30		DFEDHN
CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000330980260	427323818	/nfs/dbraw/zinc/32/38/18/427323818.db2.gz	MPBPFXUFUNPMCM-KLZNWCGWSA-N	0	3	319.449	2.749	20	30		DFEDHN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000330993489	427323966	/nfs/dbraw/zinc/32/39/66/427323966.db2.gz	TWJGZWJUGMEXQF-UHFFFAOYSA-N	0	3	320.393	2.725	20	30		DFEDHN
CC(C)c1nn(C)cc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000331007541	427326416	/nfs/dbraw/zinc/32/64/16/427326416.db2.gz	XZNPKGYMEPQJFX-UHFFFAOYSA-N	0	3	306.454	2.970	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@H](CCO)C1CCCCC1	ZINC000183721455	427328020	/nfs/dbraw/zinc/32/80/20/427328020.db2.gz	QBDHGEYCHMJRNC-QGZVFWFLSA-N	0	3	302.418	2.988	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2ccc(C(N)=O)cc2F)CC1	ZINC000331041662	427329265	/nfs/dbraw/zinc/32/92/65/427329265.db2.gz	CVTHFYIQVUCXFC-UHFFFAOYSA-N	0	3	308.357	2.519	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000277839804	427336146	/nfs/dbraw/zinc/33/61/46/427336146.db2.gz	XZKRKCPKWSWVRH-UHFFFAOYSA-N	0	3	324.468	2.672	20	30		DFEDHN
COC(=O)c1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(F)c1	ZINC000331061469	427336292	/nfs/dbraw/zinc/33/62/92/427336292.db2.gz	UHSMWFDKFIGPBR-XHDPSFHLSA-N	0	3	322.380	2.646	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2cccc(C#N)c2)C[C@H]1OC	ZINC000191391563	427337977	/nfs/dbraw/zinc/33/79/77/427337977.db2.gz	WURQNSBDUNPILY-HZPDHXFCSA-N	0	3	315.417	2.680	20	30		DFEDHN
Cc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1	ZINC000331094493	427343730	/nfs/dbraw/zinc/34/37/30/427343730.db2.gz	KKFCKRXXLNBBDR-OAHLLOKOSA-N	0	3	323.418	2.645	20	30		DFEDHN
CC[C@@H](C)n1ncc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1C	ZINC000331109768	427347558	/nfs/dbraw/zinc/34/75/58/427347558.db2.gz	HWIJJTLEIMESNA-HIFRSBDPSA-N	0	3	321.469	2.982	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2cccc(C#N)c2)CC1	ZINC000255719555	427289289	/nfs/dbraw/zinc/28/92/89/427289289.db2.gz	GRMXCPHFIVASIW-SREVYHEPSA-N	0	3	309.413	2.728	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)NCc1ncc(C(C)(C)C)o1	ZINC000330709217	427296333	/nfs/dbraw/zinc/29/63/33/427296333.db2.gz	ODCDLJQNRATRMC-CYBMUJFWSA-N	0	3	322.453	2.850	20	30		DFEDHN
CCNC(=O)N1CC[C@H](N[C@H](c2ccc(F)cn2)C(C)C)C1	ZINC000330742064	427298569	/nfs/dbraw/zinc/29/85/69/427298569.db2.gz	SMXCGTWADPNKJT-ZFWWWQNUSA-N	0	3	308.401	2.516	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NCCN1CCC[C@H](C)C1	ZINC000331208851	427370809	/nfs/dbraw/zinc/37/08/09/427370809.db2.gz	GGGOIGXROMYEFQ-ZDUSSCGKSA-N	0	3	305.422	2.825	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000331213869	427372530	/nfs/dbraw/zinc/37/25/30/427372530.db2.gz	MDRUJWCLXQTVOK-CYBMUJFWSA-N	0	3	303.406	2.744	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NCCN1CCCC[C@H]1C	ZINC000331218777	427372859	/nfs/dbraw/zinc/37/28/59/427372859.db2.gz	SHGLAYHKIZUZEB-CQSZACIVSA-N	0	3	305.422	2.968	20	30		DFEDHN
CCOC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C	ZINC000285971869	427390645	/nfs/dbraw/zinc/39/06/45/427390645.db2.gz	DVABPVHDTJMVIU-HNNXBMFYSA-N	0	3	323.824	2.801	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)nc(C)n1	ZINC000338575742	427391333	/nfs/dbraw/zinc/39/13/33/427391333.db2.gz	DGANUNPQWXTYSF-AWEZNQCLSA-N	0	3	310.313	2.800	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@](C)(CO)C1CCCCC1	ZINC000271071686	427396287	/nfs/dbraw/zinc/39/62/87/427396287.db2.gz	VVIBUUQDPXDEOW-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cc1cc(C)c(NC(=O)NC[C@@]2(N(C)C)CCSC2)c(C)n1	ZINC000331335541	427397814	/nfs/dbraw/zinc/39/78/14/427397814.db2.gz	QCKZZHPYHCLLND-INIZCTEOSA-N	0	3	322.478	2.770	20	30		DFEDHN
Cc1cc(C#N)nc(NCCCN2CCc3ccccc3C2)n1	ZINC000286031719	427407402	/nfs/dbraw/zinc/40/74/02/427407402.db2.gz	GNOBFERNQSNDTB-UHFFFAOYSA-N	0	3	307.401	2.517	20	30		DFEDHN
COc1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)ccc1C#N	ZINC000293698824	427409065	/nfs/dbraw/zinc/40/90/65/427409065.db2.gz	RJJOQBVEUKJJME-SFHVURJKSA-N	0	3	312.413	2.958	20	30		DFEDHN
N=C(NCc1noc2c1CCCC2)Nc1cc(F)ccc1F	ZINC000262313778	427356055	/nfs/dbraw/zinc/35/60/55/427356055.db2.gz	TXBUNLFQFACXIM-UHFFFAOYSA-N	0	3	306.316	2.758	20	30		DFEDHN
CC(C)(C)[C@H](CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000278838827	427471512	/nfs/dbraw/zinc/47/15/12/427471512.db2.gz	QSFMKRZYVXNKTK-AWEZNQCLSA-N	0	3	315.335	2.933	20	30		DFEDHN
Cc1ccc(C#N)c(NCc2ccccc2OCCN(C)C)n1	ZINC000286270519	427476285	/nfs/dbraw/zinc/47/62/85/427476285.db2.gz	NQFPWKPIWCZJOX-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
C#CCC(C)(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000184272755	427429270	/nfs/dbraw/zinc/42/92/70/427429270.db2.gz	XQYCPEZJBZMEKP-UHFFFAOYSA-N	0	3	313.445	2.817	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000293802268	427441548	/nfs/dbraw/zinc/44/15/48/427441548.db2.gz	XTLFDDRQCVIRHC-SCOAYWHSSA-N	0	3	323.440	2.904	20	30		DFEDHN
Cc1nsc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1C#N	ZINC000286308677	427487582	/nfs/dbraw/zinc/48/75/82/427487582.db2.gz	TWJGCIRQJFHXTB-IUODEOHRSA-N	0	3	302.447	2.776	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000278908885	427496355	/nfs/dbraw/zinc/49/63/55/427496355.db2.gz	QNGFXFFHIOTYMB-GDBMZVCRSA-N	0	3	310.463	2.574	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](COC)[C@H]2CCCO2)cc1	ZINC000278930672	427504872	/nfs/dbraw/zinc/50/48/72/427504872.db2.gz	XKMKSVMSXRNLRW-BMGDILEWSA-N	0	3	303.402	2.543	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3ccncn3)CC2)c1	ZINC000298040691	427508846	/nfs/dbraw/zinc/50/88/46/427508846.db2.gz	DFWOKLKEZVBBOI-UHFFFAOYSA-N	0	3	322.412	2.997	20	30		DFEDHN
Cc1ccccc1[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1	ZINC000298196376	427531572	/nfs/dbraw/zinc/53/15/72/427531572.db2.gz	DDXDGNQZFHGWDU-RDJZCZTQSA-N	0	3	310.397	2.957	20	30		DFEDHN
C=CCCC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC	ZINC000263726649	427553625	/nfs/dbraw/zinc/55/36/25/427553625.db2.gz	CDGDEZBCDHZCHC-KRWDZBQOSA-N	0	3	301.434	2.861	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCN1CCOC	ZINC000192140375	427489278	/nfs/dbraw/zinc/48/92/78/427489278.db2.gz	WHGHTNUZVOIXFK-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
C=CCc1cc(CN(C)C[C@@H]2CCC[C@H]2O)cc(OC)c1O	ZINC000271310758	427490210	/nfs/dbraw/zinc/49/02/10/427490210.db2.gz	WXRUJLWVQMBYIJ-JKSUJKDBSA-N	0	3	305.418	2.722	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000272056992	427617274	/nfs/dbraw/zinc/61/72/74/427617274.db2.gz	RLGWBTOAJZAUIP-UHFFFAOYSA-N	0	3	304.781	2.595	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000339009053	427620713	/nfs/dbraw/zinc/62/07/13/427620713.db2.gz	QIZZKQOVPVEILO-LLVKDONJSA-N	0	3	303.328	2.811	20	30		DFEDHN
CC1CCN(C(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)CC1	ZINC000338927078	427563439	/nfs/dbraw/zinc/56/34/39/427563439.db2.gz	GLJQRSFRFKSAIP-WBVHZDCISA-N	0	3	303.450	2.649	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ccn1	ZINC000192546940	427563402	/nfs/dbraw/zinc/56/34/02/427563402.db2.gz	BOPIHCJZVOXYGY-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
C=CCOCCN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000339009055	427622799	/nfs/dbraw/zinc/62/27/99/427622799.db2.gz	QIZZKQOVPVEILO-NSHDSACASA-N	0	3	303.328	2.811	20	30		DFEDHN
CC(C)[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000185163124	427605940	/nfs/dbraw/zinc/60/59/40/427605940.db2.gz	FZLOSIBCWSWPHR-QZTJIDSGSA-N	0	3	313.445	2.741	20	30		DFEDHN
Cn1cc(CNC[C@@H]2CCCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000272186832	427665263	/nfs/dbraw/zinc/66/52/63/427665263.db2.gz	UNQXIXZTXCLDCG-KRWDZBQOSA-N	0	3	310.401	2.617	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000279316567	427637266	/nfs/dbraw/zinc/63/72/66/427637266.db2.gz	RXWBUUAGLFPHQX-ZBFHGGJFSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=CCC[C@@H](CCC)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F	ZINC000272077636	427624898	/nfs/dbraw/zinc/62/48/98/427624898.db2.gz	KJOONBIKEULUMH-OCCSQVGLSA-N	0	3	319.371	2.895	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000279435318	427671779	/nfs/dbraw/zinc/67/17/79/427671779.db2.gz	MTYOQJKHXCKJDI-KSSFIOAISA-N	0	3	304.434	2.559	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)cc1	ZINC000343405198	272139110	/nfs/dbraw/zinc/13/91/10/272139110.db2.gz	ZYYUVENMRFHNRW-FUHWJXTLSA-N	0	3	310.401	2.955	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000343559243	272170411	/nfs/dbraw/zinc/17/04/11/272170411.db2.gz	VNSBMYCEAWROCA-QGZVFWFLSA-N	0	3	311.429	2.580	20	30		DFEDHN
CS[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295066058	427678957	/nfs/dbraw/zinc/67/89/57/427678957.db2.gz	OUYNDJQNSKDMHT-INIZCTEOSA-N	0	3	312.442	2.896	20	30		DFEDHN
Cc1nn(-c2ccncc2)cc1CNCc1cccc(C#N)c1	ZINC000344125091	272268504	/nfs/dbraw/zinc/26/85/04/272268504.db2.gz	QRNWNJRIIDYGPA-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
N#Cc1csc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1	ZINC000344336129	272315393	/nfs/dbraw/zinc/31/53/93/272315393.db2.gz	AKNXSLGTDAEQBC-CQSZACIVSA-N	0	3	311.410	2.794	20	30		DFEDHN
N#Cc1cccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1	ZINC000344352744	272319231	/nfs/dbraw/zinc/31/92/31/272319231.db2.gz	YUIMHCIBANJGBL-DLBZAZTESA-N	0	3	316.351	2.885	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(CCOC)cc1	ZINC000339132306	427693424	/nfs/dbraw/zinc/69/34/24/427693424.db2.gz	HROXUPPJVHXZOG-MSOLQXFVSA-N	0	3	319.445	2.656	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCC[C@@H]1O	ZINC000339138631	427697667	/nfs/dbraw/zinc/69/76/67/427697667.db2.gz	XADDJIPDWKTYIC-OCCSQVGLSA-N	0	3	310.344	2.752	20	30		DFEDHN
C[C@H]1CN(CCCNc2nc(Cl)c(C#N)s2)CCCO1	ZINC000287958997	427720468	/nfs/dbraw/zinc/72/04/68/427720468.db2.gz	YYEYOVNTNBDQOB-JTQLQIEISA-N	0	3	314.842	2.581	20	30		DFEDHN
C=CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000299644396	427766688	/nfs/dbraw/zinc/76/66/88/427766688.db2.gz	VSOLEROMEKYCGF-OAHLLOKOSA-N	0	3	312.335	2.743	20	30		DFEDHN
CC(C)[C@@H](CNc1nccnc1C#N)N1CCc2ccccc2C1	ZINC000301192757	427780913	/nfs/dbraw/zinc/78/09/13/427780913.db2.gz	SKUNSGDEJJZFNM-GOSISDBHSA-N	0	3	321.428	2.843	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)cn1	ZINC000301323767	427788957	/nfs/dbraw/zinc/78/89/57/427788957.db2.gz	WPAPTDCNGSCALC-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1	ZINC000288001814	427726838	/nfs/dbraw/zinc/72/68/38/427726838.db2.gz	BNVRKEFYPYTJHK-KXBFYZLASA-N	0	3	319.408	2.951	20	30		DFEDHN
CCN1CCC(N(C)c2ncc(Br)cc2C#N)CC1	ZINC000336808088	427753294	/nfs/dbraw/zinc/75/32/94/427753294.db2.gz	AYPYTIQVSBEHDR-UHFFFAOYSA-N	0	3	323.238	2.636	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000359452089	427857855	/nfs/dbraw/zinc/85/78/55/427857855.db2.gz	HGCGCQCPZBVALG-KSSFIOAISA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc(N(C)C)c2)C1=O	ZINC000337191021	427812091	/nfs/dbraw/zinc/81/20/91/427812091.db2.gz	SCRGABSUXCNMBD-QZTJIDSGSA-N	0	3	313.445	2.676	20	30		DFEDHN
C=CCN1CC[C@@H](N(C[C@H]2CCCO2)C2CCC(C)CC2)C1=O	ZINC000337189125	427812161	/nfs/dbraw/zinc/81/21/61/427812161.db2.gz	QWZVAMCWOQIJAG-OPQOLIRYSA-N	0	3	320.477	2.833	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000339742128	427820589	/nfs/dbraw/zinc/82/05/89/427820589.db2.gz	ICHALYLHUZVTRC-IYBDPMFKSA-N	0	3	322.493	2.937	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2cccc(C#N)c2)c1	ZINC000337264663	427826471	/nfs/dbraw/zinc/82/64/71/427826471.db2.gz	SKCVJOIVWVMPCB-UHFFFAOYSA-N	0	3	309.369	2.751	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1	ZINC000355670789	427842846	/nfs/dbraw/zinc/84/28/46/427842846.db2.gz	GJIXUVBYMZHZGG-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
N#Cc1cccnc1N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1	ZINC000349749625	427855642	/nfs/dbraw/zinc/85/56/42/427855642.db2.gz	RXUIORWIELGWPP-MOPGFXCFSA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1cccnc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000349749628	427856376	/nfs/dbraw/zinc/85/63/76/427856376.db2.gz	RXUIORWIELGWPP-RTBURBONSA-N	0	3	318.424	2.879	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000339932347	427877642	/nfs/dbraw/zinc/87/76/42/427877642.db2.gz	UXHRUAUKRHPZDX-GRYCIOLGSA-N	0	3	319.371	2.656	20	30		DFEDHN
CC(C)OCC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000349850065	427879163	/nfs/dbraw/zinc/87/91/63/427879163.db2.gz	DPCNJCBYLVWZMU-GOSISDBHSA-N	0	3	302.418	2.699	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CCOC(C)C	ZINC000349876882	427887620	/nfs/dbraw/zinc/88/76/20/427887620.db2.gz	DKGNAZPIMOTICA-GOSISDBHSA-N	0	3	302.418	2.722	20	30		DFEDHN
CC[C@@H]1C[C@]1(NCCC(=O)N(C)CCC#N)c1cccc(C)c1	ZINC000337419276	427895742	/nfs/dbraw/zinc/89/57/42/427895742.db2.gz	QFJZRUKAMUFESK-VQIMIIECSA-N	0	3	313.445	2.972	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@@]3(CCCOC3)C2)cc1	ZINC000355792459	427896678	/nfs/dbraw/zinc/89/66/78/427896678.db2.gz	ZPJGXFIIRRVEAF-GOSISDBHSA-N	0	3	300.402	2.830	20	30		DFEDHN
C=CCn1c(-c2ccccc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000350623472	427957724	/nfs/dbraw/zinc/95/77/24/427957724.db2.gz	PLTJNFTWZPHOBX-QGZVFWFLSA-N	0	3	323.444	2.804	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	ZINC000341107847	427991947	/nfs/dbraw/zinc/99/19/47/427991947.db2.gz	QTYLJRFISHJYPX-ZMSDIMECSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1	ZINC000341107845	427992051	/nfs/dbraw/zinc/99/20/51/427992051.db2.gz	QTYLJRFISHJYPX-HLLBOEOZSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)[C@H](C)c1ccc(Cl)cc1	ZINC000350216011	427936848	/nfs/dbraw/zinc/93/68/48/427936848.db2.gz	FSYYOMBBKOYCML-GHMZBOCLSA-N	0	3	315.822	2.507	20	30		DFEDHN
CCc1ccc([C@H](CO)NCCOc2cccc(C#N)c2)cc1	ZINC000359623779	427940034	/nfs/dbraw/zinc/94/00/34/427940034.db2.gz	FRGSQDZCPIBTJT-IBGZPJMESA-N	0	3	310.397	2.823	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)CC(F)(F)F)CC1	ZINC000413227855	427995001	/nfs/dbraw/zinc/99/50/01/427995001.db2.gz	BFPROIMRCDDMFY-NSHDSACASA-N	0	3	307.360	2.525	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356115407	428028069	/nfs/dbraw/zinc/02/80/69/428028069.db2.gz	IWTLMAOIWPBNBX-FUHWJXTLSA-N	0	3	313.445	2.874	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(C(=O)C3CCCCC3)CC2)o1	ZINC000369672705	428030773	/nfs/dbraw/zinc/03/07/73/428030773.db2.gz	RSUFARLQTOCJLN-UHFFFAOYSA-N	0	3	315.417	2.812	20	30		DFEDHN
Cn1cc(CN2CCC(c3ccccc3CO)CC2)cc1C#N	ZINC000377011017	428040533	/nfs/dbraw/zinc/04/05/33/428040533.db2.gz	CVQRXHPMICAZBI-UHFFFAOYSA-N	0	3	309.413	2.769	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000346161671	428046129	/nfs/dbraw/zinc/04/61/29/428046129.db2.gz	BUKCDYJSDBOLJV-RISCZKNCSA-N	0	3	313.380	2.517	20	30		DFEDHN
COC[C@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359854652	428046156	/nfs/dbraw/zinc/04/61/56/428046156.db2.gz	YVPSACXQBRBSBK-IFXJQAMLSA-N	0	3	310.397	2.883	20	30		DFEDHN
CC[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)cc1	ZINC000377076919	428052599	/nfs/dbraw/zinc/05/25/99/428052599.db2.gz	IQEBFVDEQMLPAD-QRVBRYPASA-N	0	3	313.445	2.852	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1(N(C)C)CCC1	ZINC000413471028	428056044	/nfs/dbraw/zinc/05/60/44/428056044.db2.gz	OXNLJGJFGQYRPO-KRWDZBQOSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369554662	427997781	/nfs/dbraw/zinc/99/77/81/427997781.db2.gz	SLFPWPTTYWUKLN-AAEUAGOBSA-N	0	3	313.854	2.793	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000369554664	427998791	/nfs/dbraw/zinc/99/87/91/427998791.db2.gz	SLFPWPTTYWUKLN-WCQYABFASA-N	0	3	313.854	2.793	20	30		DFEDHN
C[C@H](CC(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000413261841	428006281	/nfs/dbraw/zinc/00/62/81/428006281.db2.gz	JKQLVHLPSQBQOU-CYBMUJFWSA-N	0	3	323.387	2.740	20	30		DFEDHN
C[C@@H](NC[C@@H]1CCCN1c1cccnn1)c1ccc(C#N)s1	ZINC000369840233	428072970	/nfs/dbraw/zinc/07/29/70/428072970.db2.gz	KJZVUQPWLAASGN-OLZOCXBDSA-N	0	3	313.430	2.729	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1coc(CC)n1)C(C)C	ZINC000356223671	428073782	/nfs/dbraw/zinc/07/37/82/428073782.db2.gz	OGNUJNQHPPWGIX-HNNXBMFYSA-N	0	3	305.422	2.665	20	30		DFEDHN
N#CC(C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cn1	ZINC000359919787	428076441	/nfs/dbraw/zinc/07/64/41/428076441.db2.gz	WLDBUHLRBDYIGQ-SNVBAGLBSA-N	0	3	316.704	2.889	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1	ZINC000359919756	428077312	/nfs/dbraw/zinc/07/73/12/428077312.db2.gz	VTINKWWUZRORPH-JTQLQIEISA-N	0	3	318.239	2.514	20	30		DFEDHN
CCN1CC[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000413567113	428083299	/nfs/dbraw/zinc/08/32/99/428083299.db2.gz	BGRYHPPUARSSSY-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000356262603	428093654	/nfs/dbraw/zinc/09/36/54/428093654.db2.gz	YCBFNEYUVKDWLB-SPUZQDLCSA-N	0	3	316.445	2.775	20	30		DFEDHN
CN(C)CCN(Cc1nc(C#N)cs1)Cc1cccc(F)c1	ZINC000356298823	428114149	/nfs/dbraw/zinc/11/41/49/428114149.db2.gz	PWTGNOSYQCZEQW-UHFFFAOYSA-N	0	3	318.421	2.718	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)CC1	ZINC000341443920	428066511	/nfs/dbraw/zinc/06/65/11/428066511.db2.gz	ZCCSHRLWQGLSLB-ZIAGYGMSSA-N	0	3	309.454	2.535	20	30		DFEDHN
C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000360061543	428138808	/nfs/dbraw/zinc/13/88/08/428138808.db2.gz	SCILNZBPNNRHNS-SJCJKPOMSA-N	0	3	311.360	2.617	20	30		DFEDHN
C[C@H](NCCCCCS(C)(=O)=O)c1ccc(C#N)cc1F	ZINC000360038961	428129915	/nfs/dbraw/zinc/12/99/15/428129915.db2.gz	PCZZGDIIJANZAP-LBPRGKRZSA-N	0	3	312.410	2.563	20	30		DFEDHN
N#Cc1cnccc1NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000370193866	428154149	/nfs/dbraw/zinc/15/41/49/428154149.db2.gz	LWTDFEJOICTDOC-QGZVFWFLSA-N	0	3	306.413	2.699	20	30		DFEDHN
Cc1nc(NC[C@@]2(N(C)C)CCSC2)c(Cl)cc1C#N	ZINC000360086914	428154918	/nfs/dbraw/zinc/15/49/18/428154918.db2.gz	BPDNTPOPQGGCNS-AWEZNQCLSA-N	0	3	310.854	2.764	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccccc1CN(C)Cc1ccco1	ZINC000346462406	428182859	/nfs/dbraw/zinc/18/28/59/428182859.db2.gz	CHTDURVKRQYOOR-AWEZNQCLSA-N	0	3	311.385	2.687	20	30		DFEDHN
CCn1cccc(NC(=O)C(C#N)CCc2ccccc2)c1=O	ZINC000413893007	428163527	/nfs/dbraw/zinc/16/35/27/428163527.db2.gz	KQEWSDILMRPHDH-HNNXBMFYSA-N	0	3	309.369	2.579	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1	ZINC000360120339	428170757	/nfs/dbraw/zinc/17/07/57/428170757.db2.gz	UTMFLAPPRFMCPD-CVEARBPZSA-N	0	3	313.445	2.898	20	30		DFEDHN
C=CCOCCCN(C)C[C@@H]1OCCN(C)[C@@H]1c1ccccc1	ZINC000346454319	428180388	/nfs/dbraw/zinc/18/03/88/428180388.db2.gz	DMWJXSVQGVDDBZ-RBUKOAKNSA-N	0	3	318.461	2.583	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCCN2Cc2ccc(C#N)cc2)n1	ZINC000360151766	428182495	/nfs/dbraw/zinc/18/24/95/428182495.db2.gz	XNWPVKHKSFFLIY-GOSISDBHSA-N	0	3	309.417	2.821	20	30		DFEDHN
C[C@H]1C[C@H](CN2CCN(c3ccc(C#N)cc3F)CC2)CCO1	ZINC000352693276	428207213	/nfs/dbraw/zinc/20/72/13/428207213.db2.gz	RKAHZRYBNQOIDU-GOEBONIOSA-N	0	3	317.408	2.634	20	30		DFEDHN
C#C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000370437139	428209533	/nfs/dbraw/zinc/20/95/33/428209533.db2.gz	SNIFDVIRTIHLFD-NOLJZWGESA-N	0	3	319.836	2.654	20	30		DFEDHN
COC(=O)c1cnc([C@@H](C)NCC2CCC(C#N)CC2)s1	ZINC000414158930	428222486	/nfs/dbraw/zinc/22/24/86/428222486.db2.gz	XYKSIVRPUJFNAU-VOMCLLRMSA-N	0	3	307.419	2.910	20	30		DFEDHN
C=CC[C@H](CO)CN[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000341886088	428241178	/nfs/dbraw/zinc/24/11/78/428241178.db2.gz	NGIXKCRNYHZOOH-GJZGRUSLSA-N	0	3	302.418	2.649	20	30		DFEDHN
C=CCCCCCN1CCCN(C(=O)c2ccncc2)CC1	ZINC000370533325	428234287	/nfs/dbraw/zinc/23/42/87/428234287.db2.gz	LHYFGUHYXQOQQG-UHFFFAOYSA-N	0	3	301.434	2.976	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C	ZINC000346671858	428265344	/nfs/dbraw/zinc/26/53/44/428265344.db2.gz	VYCCEKSZHVRSHO-UKRRQHHQSA-N	0	3	300.402	2.871	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360365800	428271153	/nfs/dbraw/zinc/27/11/53/428271153.db2.gz	QIXSXFAHLOKKNP-OAHLLOKOSA-N	0	3	301.434	2.708	20	30		DFEDHN
C[C@@H](Cn1cccn1)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352841410	428273245	/nfs/dbraw/zinc/27/32/45/428273245.db2.gz	QZHBGUKXQYUYGI-NSHDSACASA-N	0	3	308.307	2.952	20	30		DFEDHN
C[C@H]1C[C@H](C)CN(C(C)(C)CNCc2nc(C#N)cs2)C1	ZINC000352837972	428274508	/nfs/dbraw/zinc/27/45/08/428274508.db2.gz	CPVQVQYQQYBXGU-STQMWFEESA-N	0	3	306.479	2.861	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000370607122	428252341	/nfs/dbraw/zinc/25/23/41/428252341.db2.gz	UFOSWDJCBIZUGQ-YJBOKZPZSA-N	0	3	324.465	2.789	20	30		DFEDHN
C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)c(F)c1	ZINC000414324934	428261221	/nfs/dbraw/zinc/26/12/21/428261221.db2.gz	JKSLFCILZLLSRR-LBPRGKRZSA-N	0	3	324.421	2.563	20	30		DFEDHN
N#CCSCCCN1CCc2c(cnn2-c2ccccc2)C1	ZINC000342119234	428308956	/nfs/dbraw/zinc/30/89/56/428308956.db2.gz	UTDKHONIPVOMTK-UHFFFAOYSA-N	0	3	312.442	2.877	20	30		DFEDHN
C[S@@](=O)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000352938513	428319626	/nfs/dbraw/zinc/31/96/26/428319626.db2.gz	LOHXEKMMIULHJC-OAQYLSRUSA-N	0	3	316.348	2.578	20	30		DFEDHN
CC(C)C[C@H](CO)N(C)Cc1ccc(C#N)cc1OC(F)F	ZINC000360496630	428322231	/nfs/dbraw/zinc/32/22/31/428322231.db2.gz	UMTARQPRHDQQDC-CQSZACIVSA-N	0	3	312.360	2.998	20	30		DFEDHN
COc1ccc(CCN(CC(C)C)C(=O)C(C)C#N)cc1OC	ZINC000346822293	428331723	/nfs/dbraw/zinc/33/17/23/428331723.db2.gz	LZQANHYRYBRBHT-CQSZACIVSA-N	0	3	318.417	2.891	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnn2ccccc12	ZINC000342197251	428346844	/nfs/dbraw/zinc/34/68/44/428346844.db2.gz	TWVXRXRURQHBRY-MRXNPFEDSA-N	0	3	318.380	2.723	20	30		DFEDHN
CN(CC1(O)CCCC1)C(=O)C(C#N)CCc1ccccc1	ZINC000346861978	428349604	/nfs/dbraw/zinc/34/96/04/428349604.db2.gz	VYYDNZQAFYLQMY-MRXNPFEDSA-N	0	3	300.402	2.522	20	30		DFEDHN
C[C@H](C(=O)NCCN1CCCC(C)(C)C1)c1cccc(C#N)c1	ZINC000360442421	428299411	/nfs/dbraw/zinc/29/94/11/428299411.db2.gz	CPKIJUVZLWHEHL-HNNXBMFYSA-N	0	3	313.445	2.900	20	30		DFEDHN
N#Cc1ccc2nc(N3CCN([C@@H]4CCSC4)CC3)ccc2c1	ZINC000378414114	428391488	/nfs/dbraw/zinc/39/14/88/428391488.db2.gz	AQBKNERSQZTENA-MRXNPFEDSA-N	0	3	324.453	2.734	20	30		DFEDHN
N#Cc1ccnc(N[C@H]2CCN(CC3CCCC3)C2)c1Cl	ZINC000342299642	428392376	/nfs/dbraw/zinc/39/23/76/428392376.db2.gz	XGUKNYDRBGJXMF-AWEZNQCLSA-N	0	3	304.825	3.283	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000371713711	428401184	/nfs/dbraw/zinc/40/11/84/428401184.db2.gz	DUHLJFLNAPONSH-GJZGRUSLSA-N	0	3	307.825	2.656	20	30		DFEDHN
CC(C#N)C(=O)NC1CCN(c2nc3ccccc3s2)CC1	ZINC000347029283	428412289	/nfs/dbraw/zinc/41/22/89/428412289.db2.gz	AQYQDIPPLOUBSY-LLVKDONJSA-N	0	3	314.414	2.541	20	30		DFEDHN
COc1cc(CNC[C@@](C)(CO)c2ccccc2)ccc1C#N	ZINC000342245203	428368166	/nfs/dbraw/zinc/36/81/66/428368166.db2.gz	ZAGQZCHCAFLCEU-IBGZPJMESA-N	0	3	310.397	2.607	20	30		DFEDHN
Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1CC(C)C	ZINC000346949242	428382865	/nfs/dbraw/zinc/38/28/65/428382865.db2.gz	UNZRNOHZGIXRDZ-CQSZACIVSA-N	0	3	311.389	2.744	20	30		DFEDHN
C=CCN(Cc1c[nH]nc1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371376126	428386523	/nfs/dbraw/zinc/38/65/23/428386523.db2.gz	XFAXZJNOCVAZTE-IBGZPJMESA-N	0	3	310.445	2.981	20	30		DFEDHN
C=CCN(Cc1cncnc1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371372421	428386763	/nfs/dbraw/zinc/38/67/63/428386763.db2.gz	GLKVIWMBKNCGAA-LJQANCHMSA-N	0	3	308.429	2.739	20	30		DFEDHN
C=CCN(Cc1cncnc1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371372420	428386895	/nfs/dbraw/zinc/38/68/95/428386895.db2.gz	GLKVIWMBKNCGAA-IBGZPJMESA-N	0	3	308.429	2.739	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000357208876	428434630	/nfs/dbraw/zinc/43/46/30/428434630.db2.gz	QNLSWILFMWDYDZ-RHSMWYFYSA-N	0	3	301.434	2.771	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1c[nH]c(C#N)c1	ZINC000342599657	428436159	/nfs/dbraw/zinc/43/61/59/428436159.db2.gz	FNTFFMOTQCYWDP-UHFFFAOYSA-N	0	3	302.422	2.615	20	30		DFEDHN
CC(C#N)C(=O)NCCCc1ccc(Br)cc1F	ZINC000347079210	428437606	/nfs/dbraw/zinc/43/76/06/428437606.db2.gz	HPMIJYCHKIQGDZ-SECBINFHSA-N	0	3	313.170	2.797	20	30		DFEDHN
CC(C)CCO[C@H]1CCCC[C@H]1NCC(=O)NC1(C#N)CCC1	ZINC000347082871	428437707	/nfs/dbraw/zinc/43/77/07/428437707.db2.gz	KWPCBPZRDRRBCE-CVEARBPZSA-N	0	3	321.465	2.512	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000347106348	428447991	/nfs/dbraw/zinc/44/79/91/428447991.db2.gz	LPLXUQCSUHCXBK-SMDDNHRTSA-N	0	3	323.799	2.719	20	30		DFEDHN
CSCC[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1	ZINC000347131253	428460079	/nfs/dbraw/zinc/46/00/79/428460079.db2.gz	ITGDYGQHFDNLOV-ZWNOBZJWSA-N	0	3	302.403	2.633	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1	ZINC000389936172	428468245	/nfs/dbraw/zinc/46/82/45/428468245.db2.gz	NBJYVCJVWUMTCX-VOLNDZDFSA-N	0	3	311.429	2.563	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1	ZINC000347042917	428420062	/nfs/dbraw/zinc/42/00/62/428420062.db2.gz	VPJWORYVPVNGON-SNVBAGLBSA-N	0	3	306.312	2.546	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1	ZINC000347041463	428420304	/nfs/dbraw/zinc/42/03/04/428420304.db2.gz	TXYCNQHUZBIPIB-ZDUSSCGKSA-N	0	3	304.353	2.801	20	30		DFEDHN
C=CCN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(OC)cc1	ZINC000342469143	428428723	/nfs/dbraw/zinc/42/87/23/428428723.db2.gz	DADSIROIWDRATG-KDURUIRLSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(SCC#N)c1	ZINC000342463606	428428785	/nfs/dbraw/zinc/42/87/85/428428785.db2.gz	CRCNXQHUBQZZQX-WBMJQRKESA-N	0	3	315.442	2.515	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	ZINC000347056349	428430166	/nfs/dbraw/zinc/43/01/66/428430166.db2.gz	BNAPCKYDWMKUBQ-LBPRGKRZSA-N	0	3	314.364	2.766	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC(F)(C#N)CC2)c1	ZINC000353327995	428486955	/nfs/dbraw/zinc/48/69/55/428486955.db2.gz	GEFBPASXAWWGIF-UHFFFAOYSA-N	0	3	304.369	2.608	20	30		DFEDHN
C[C@@H]1COCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000342933199	428489940	/nfs/dbraw/zinc/48/99/40/428489940.db2.gz	ZVGOEGYRJCMMBB-PVAVHDDUSA-N	0	3	300.402	2.548	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1	ZINC000347288500	428531037	/nfs/dbraw/zinc/53/10/37/428531037.db2.gz	YZQGKEPMUPZMRO-NVXWUHKLSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000342933196	428490334	/nfs/dbraw/zinc/49/03/34/428490334.db2.gz	ZVGOEGYRJCMMBB-DJIMGWMZSA-N	0	3	300.402	2.548	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccc(O)c1)C(C)C	ZINC000357350664	428496143	/nfs/dbraw/zinc/49/61/43/428496143.db2.gz	DZXHZIYWFLEAPB-QGZVFWFLSA-N	0	3	302.418	2.821	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CCOC)[C@@H](CC)C2)c1	ZINC000353368818	428506474	/nfs/dbraw/zinc/50/64/74/428506474.db2.gz	HMUMITTVSABCCE-SFHVURJKSA-N	0	3	318.461	2.794	20	30		DFEDHN
CS[C@H]1CN(c2nccc(C#N)c2Cl)C[C@@H]1N1CCCC1	ZINC000343030963	428507616	/nfs/dbraw/zinc/50/76/16/428507616.db2.gz	ZEEYLYBFMVFUST-STQMWFEESA-N	0	3	322.865	2.623	20	30		DFEDHN
CN(C)[C@@H](CNCc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000343089389	428520319	/nfs/dbraw/zinc/52/03/19/428520319.db2.gz	CTRNOLBHHDSOGS-GOSISDBHSA-N	0	3	311.404	2.960	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@H]1C	ZINC000347286000	428528240	/nfs/dbraw/zinc/52/82/40/428528240.db2.gz	NSRZLSMVCLDRJO-WMLDXEAASA-N	0	3	316.401	2.753	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000361023056	428530627	/nfs/dbraw/zinc/53/06/27/428530627.db2.gz	KRZUNOAGNXPQQP-WDEREUQCSA-N	0	3	311.307	2.560	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2cccc(F)c2C#N)C1	ZINC000347481004	428588068	/nfs/dbraw/zinc/58/80/68/428588068.db2.gz	IVBZBWCINAWDOP-UHFFFAOYSA-N	0	3	303.381	2.549	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@@H]2C)cc1OC	ZINC000347302244	428535450	/nfs/dbraw/zinc/53/54/50/428535450.db2.gz	MECKUGQWHILKCL-ZFWWWQNUSA-N	0	3	319.401	2.643	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)cc(OC)c1O	ZINC000361152270	428541498	/nfs/dbraw/zinc/54/14/98/428541498.db2.gz	IVEOWXILVGMOPL-ZIAGYGMSSA-N	0	3	304.434	2.654	20	30		DFEDHN
C[C@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000357787567	428562128	/nfs/dbraw/zinc/56/21/28/428562128.db2.gz	BFHNVRPBPLDUQA-ZIAGYGMSSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1cccs1)[C@H]1C=C[C@H](CO)C1	ZINC000347359735	428564440	/nfs/dbraw/zinc/56/44/40/428564440.db2.gz	WOPXHVLTPNZNRP-JYJNAYRXSA-N	0	3	307.459	2.814	20	30		DFEDHN
CC(C#N)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000357804673	428564486	/nfs/dbraw/zinc/56/44/86/428564486.db2.gz	QUTGRRIEPRUHAS-QMMMGPOBSA-N	0	3	314.172	2.550	20	30		DFEDHN
CC#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000361492316	428570296	/nfs/dbraw/zinc/57/02/96/428570296.db2.gz	GQESATOJBGZOMN-WMZOPIPTSA-N	0	3	313.445	2.752	20	30		DFEDHN
N#CC(C(=O)c1ccc(C(N)=O)cc1)c1nccc2ccccc21	ZINC000361525025	428572585	/nfs/dbraw/zinc/57/25/85/428572585.db2.gz	MNXJLDSWQQDXEI-INIZCTEOSA-N	0	3	315.332	2.824	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H](F)C1)C(C)C	ZINC000348051112	428634387	/nfs/dbraw/zinc/63/43/87/428634387.db2.gz	TZBULMRVEQWRII-OWCLPIDISA-N	0	3	311.445	2.875	20	30		DFEDHN
CCN(CCC#N)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415952609	428634436	/nfs/dbraw/zinc/63/44/36/428634436.db2.gz	HNFJKCWVZQWDHW-UHFFFAOYSA-N	0	3	314.311	2.932	20	30		DFEDHN
CN(CCCSCC#N)CCOCc1ccc(C#N)cc1	ZINC000344072431	428621806	/nfs/dbraw/zinc/62/18/06/428621806.db2.gz	ORGZPIMGOLRDND-UHFFFAOYSA-N	0	3	303.431	2.654	20	30		DFEDHN
C=CCC[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccco1	ZINC000353621011	428625946	/nfs/dbraw/zinc/62/59/46/428625946.db2.gz	KYWQCKRSOBOSJI-OFQRWUPVSA-N	0	3	306.406	2.512	20	30		DFEDHN
CO[C@@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000373648888	428626303	/nfs/dbraw/zinc/62/63/03/428626303.db2.gz	RUUFFVWALSJPEV-RDJZCZTQSA-N	0	3	321.465	2.609	20	30		DFEDHN
N#Cc1csc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1	ZINC000344338658	428630303	/nfs/dbraw/zinc/63/03/03/428630303.db2.gz	GEOKZDAUWVPQPB-CABCVRRESA-N	0	3	322.380	2.947	20	30		DFEDHN
CN(Cc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348003870	428632523	/nfs/dbraw/zinc/63/25/23/428632523.db2.gz	FFPGJTHAIBDQTB-OAHLLOKOSA-N	0	3	309.394	2.961	20	30		DFEDHN
COCCN1[C@H](C)CN(c2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000132052371	274034677	/nfs/dbraw/zinc/03/46/77/274034677.db2.gz	GCZHXAHLNPAWJL-CHWSQXEVSA-N	0	3	307.825	2.757	20	30		DFEDHN
Cc1ccsc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348143230	428641076	/nfs/dbraw/zinc/64/10/76/428641076.db2.gz	LMSHILLOAQDYNM-HNNXBMFYSA-N	0	3	309.394	2.927	20	30		DFEDHN
Cc1ccsc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348143234	428641140	/nfs/dbraw/zinc/64/11/40/428641140.db2.gz	LMSHILLOAQDYNM-OAHLLOKOSA-N	0	3	309.394	2.927	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H](C)[C@H]2CCCOC2)c(C#N)c1C	ZINC000348144940	428642078	/nfs/dbraw/zinc/64/20/78/428642078.db2.gz	RGUYUBSDTJPWNB-AAEUAGOBSA-N	0	3	321.446	2.580	20	30		DFEDHN
O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1CC#Cc1ccc(Cl)cc1	ZINC000374072498	428662323	/nfs/dbraw/zinc/66/23/23/428662323.db2.gz	QKYIISRKTMGEQN-KZNAEPCWSA-N	0	3	319.832	2.553	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1	ZINC000374303398	428672463	/nfs/dbraw/zinc/67/24/63/428672463.db2.gz	UJRMKEMPOYVFQL-QGZVFWFLSA-N	0	3	307.397	2.868	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000344716442	428699134	/nfs/dbraw/zinc/69/91/34/428699134.db2.gz	MVVYXUQEBARBJX-AWEZNQCLSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC(C)(NC[C@@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000348312768	428702240	/nfs/dbraw/zinc/70/22/40/428702240.db2.gz	VSJQRFNAGVGTIW-CQSZACIVSA-N	0	3	316.426	2.884	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(CCC(N)=O)CC1	ZINC000353775859	428708951	/nfs/dbraw/zinc/70/89/51/428708951.db2.gz	PRIGRKWZRXIDHH-UHFFFAOYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000362370854	428721237	/nfs/dbraw/zinc/72/12/37/428721237.db2.gz	NSFYCQPJHKJXNW-WMLDXEAASA-N	0	3	317.433	2.706	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000362372109	428722853	/nfs/dbraw/zinc/72/28/53/428722853.db2.gz	XHACWRCNTAURRL-HNNXBMFYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000362378266	428725935	/nfs/dbraw/zinc/72/59/35/428725935.db2.gz	DBEWHTGWNLLJAC-CVEARBPZSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1	ZINC000348288053	428695670	/nfs/dbraw/zinc/69/56/70/428695670.db2.gz	BILHPSGMTZVNTG-MRXNPFEDSA-N	0	3	324.428	3.003	20	30		DFEDHN
CCC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000362462123	428756067	/nfs/dbraw/zinc/75/60/67/428756067.db2.gz	CVVVQQPGMHUKSK-CQSZACIVSA-N	0	3	301.438	2.685	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCC[C@H]2OCc2ccccc2)C1=O	ZINC000348520513	428766454	/nfs/dbraw/zinc/76/64/54/428766454.db2.gz	KFEJEGTYTVHWGV-FGTMMUONSA-N	0	3	314.429	2.501	20	30		DFEDHN
CCN1CCN([C@@H]2CCN(CCC3(C#N)CCCCC3)C2)CC1	ZINC000411259793	428767008	/nfs/dbraw/zinc/76/70/08/428767008.db2.gz	YAFCDUQEJSLNTG-GOSISDBHSA-N	0	3	318.509	2.562	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)cc1	ZINC000348547972	428784328	/nfs/dbraw/zinc/78/43/28/428784328.db2.gz	PNHCVFWBPZNHQA-SJLPKXTDSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@@H](N2CCOCC2)C[C@@H]1C	ZINC000348553039	428785685	/nfs/dbraw/zinc/78/56/85/428785685.db2.gz	WOBRGVKGZDAVGM-WMZOPIPTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000411421478	428793703	/nfs/dbraw/zinc/79/37/03/428793703.db2.gz	MRQBWCYAMPHKAB-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C[C@H]21	ZINC000375040259	428797415	/nfs/dbraw/zinc/79/74/15/428797415.db2.gz	OHLPNFZVCPCRFK-ZYHUDNBSSA-N	0	3	310.323	2.502	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000362672673	428800032	/nfs/dbraw/zinc/80/00/32/428800032.db2.gz	RTOVGPIJBGVAEP-KGLIPLIRSA-N	0	3	307.463	2.834	20	30		DFEDHN
CN(CC#Cc1ccc(F)cc1)C1CCN(c2cccnn2)CC1	ZINC000362789108	428806715	/nfs/dbraw/zinc/80/67/15/428806715.db2.gz	VTIQTOKKYABWKC-UHFFFAOYSA-N	0	3	324.403	2.568	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)c1ccc(F)c(C#N)c1	ZINC000348688707	428812591	/nfs/dbraw/zinc/81/25/91/428812591.db2.gz	QRRGSSJLZFFGCM-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
CC(=O)NC1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000348680270	428812967	/nfs/dbraw/zinc/81/29/67/428812967.db2.gz	JUWIOCJPGGFBHQ-QGLTVNCISA-N	0	3	303.381	2.795	20	30		DFEDHN
C[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1CC(C)(C)O	ZINC000411603515	428822998	/nfs/dbraw/zinc/82/29/98/428822998.db2.gz	DWXXZWSPUOMYJT-MRXNPFEDSA-N	0	3	307.482	2.628	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C	ZINC000411635918	428828796	/nfs/dbraw/zinc/82/87/96/428828796.db2.gz	COHVTPWKFIURBR-BRWVUGGUSA-N	0	3	309.498	2.604	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)CC1	ZINC000363373267	428911932	/nfs/dbraw/zinc/91/19/32/428911932.db2.gz	JWPJFCRRSLEADW-ORQFMDKSSA-N	0	3	302.462	2.519	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000363352828	428909539	/nfs/dbraw/zinc/90/95/39/428909539.db2.gz	PMXAZZPOCSVUQQ-SOLBZPMBSA-N	0	3	313.445	2.608	20	30		DFEDHN
CCCN1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000363384618	428910417	/nfs/dbraw/zinc/91/04/17/428910417.db2.gz	NFNVIRARLBTUSN-UHFFFAOYSA-N	0	3	317.458	2.595	20	30		DFEDHN
C=CCN(Cc1noc(C)n1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363185315	428876929	/nfs/dbraw/zinc/87/69/29/428876929.db2.gz	VOZMNFMVYRVELO-KRWDZBQOSA-N	0	3	312.417	2.641	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000411891828	428877150	/nfs/dbraw/zinc/87/71/50/428877150.db2.gz	IAGJKVZQXGWOBK-MJGOQNOKSA-N	0	3	308.381	2.969	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)NCC(C)(C)CCC#N	ZINC000418201516	428900129	/nfs/dbraw/zinc/90/01/29/428900129.db2.gz	HUJIDNWMNLABHI-MRXNPFEDSA-N	0	3	316.449	2.878	20	30		DFEDHN
C=CCOc1ccccc1CN(CCN(C)C)C[C@H]1CCCO1	ZINC000349023509	428901823	/nfs/dbraw/zinc/90/18/23/428901823.db2.gz	FLZZISKXOWHIDV-GOSISDBHSA-N	0	3	318.461	2.794	20	30		DFEDHN
C=CCCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1	ZINC000363313317	428905081	/nfs/dbraw/zinc/90/50/81/428905081.db2.gz	GCGIMHCANQPUQL-UHFFFAOYSA-N	0	3	315.461	2.903	20	30		DFEDHN
CC[C@@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)OC	ZINC000419276605	428928226	/nfs/dbraw/zinc/92/82/26/428928226.db2.gz	KTYHHXGCLKSIQV-AWEZNQCLSA-N	0	3	306.381	2.966	20	30		DFEDHN
CN(CC#Cc1ccc(F)cc1)C1CCN(c2ncccn2)CC1	ZINC000363534599	428937688	/nfs/dbraw/zinc/93/76/88/428937688.db2.gz	XQOJDCCIWMHJIG-UHFFFAOYSA-N	0	3	324.403	2.568	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnc(CCC)c2)CC1	ZINC000354253944	428941189	/nfs/dbraw/zinc/94/11/89/428941189.db2.gz	IOJUMLWAUXUBKE-UHFFFAOYSA-N	0	3	301.434	2.804	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCOCC2)[C@@H]1C	ZINC000349232379	428941924	/nfs/dbraw/zinc/94/19/24/428941924.db2.gz	BSXPQIUQEHKCKA-CVEARBPZSA-N	0	3	308.466	2.691	20	30		DFEDHN
Cc1cnn(C)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000420269438	428953138	/nfs/dbraw/zinc/95/31/38/428953138.db2.gz	HYWQMHKUILQAFU-SNVBAGLBSA-N	0	3	308.263	2.632	20	30		DFEDHN
Cc1cnn(C)c1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000420269438	428953145	/nfs/dbraw/zinc/95/31/45/428953145.db2.gz	HYWQMHKUILQAFU-SNVBAGLBSA-N	0	3	308.263	2.632	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2c(C#N)cnc3c(F)cc(F)cc32)C1	ZINC000420269168	428954041	/nfs/dbraw/zinc/95/40/41/428954041.db2.gz	SVXWBGFMKZWVED-MRXNPFEDSA-N	0	3	320.318	2.522	20	30		DFEDHN
COc1ccc(CN(CCN(C)C)Cc2ccccn2)cc1C#N	ZINC000349320367	428960522	/nfs/dbraw/zinc/96/05/22/428960522.db2.gz	VGBKCPKLCSQOSL-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000420819250	428963279	/nfs/dbraw/zinc/96/32/79/428963279.db2.gz	OBMBFAYRWSBCDP-IAGOWNOFSA-N	0	3	314.433	2.767	20	30		DFEDHN
Cc1cnn(C2CCN(CCOc3ccc(C#N)cc3)CC2)c1	ZINC000363674852	428965369	/nfs/dbraw/zinc/96/53/69/428965369.db2.gz	HAXYQTZQTKBIFF-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000355089589	429026873	/nfs/dbraw/zinc/02/68/73/429026873.db2.gz	JKQGZUXKEHSEAI-HOTGVXAUSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1ccncc1C#N	ZINC000363704671	428973915	/nfs/dbraw/zinc/97/39/15/428973915.db2.gz	HVLCCUZKYCTLFQ-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
COC1([C@H](C)NCC#Cc2cccc(Cl)c2)CCOCC1	ZINC000421031444	428979136	/nfs/dbraw/zinc/97/91/36/428979136.db2.gz	KGQWGSRIKBSQCD-AWEZNQCLSA-N	0	3	307.821	2.865	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccncc2C#N)[C@H]1c1cccs1	ZINC000363738946	428983488	/nfs/dbraw/zinc/98/34/88/428983488.db2.gz	KBVAKCFQDMESMZ-GUYCJALGSA-N	0	3	312.442	2.932	20	30		DFEDHN
CCCN(CC(=O)N(CC)CCC#N)[C@@H]1C[C@@H](OCC)C1(C)C	ZINC000354467273	428988746	/nfs/dbraw/zinc/98/87/46/428988746.db2.gz	WVKWLNQKVCUYBK-HZPDHXFCSA-N	0	3	323.481	2.664	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)C[C@H](CO)C2)cc(OC)c1O	ZINC000421363349	428989903	/nfs/dbraw/zinc/98/99/03/428989903.db2.gz	PNJDPBNSSFWVKS-HIFRSBDPSA-N	0	3	305.418	2.580	20	30		DFEDHN
N#CC(C(=O)c1ccc(F)c(Br)c1)c1ccncn1	ZINC000354472609	428991985	/nfs/dbraw/zinc/99/19/85/428991985.db2.gz	URPHVENUFXWYRX-SECBINFHSA-N	0	3	320.121	2.868	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000354748468	429006974	/nfs/dbraw/zinc/00/69/74/429006974.db2.gz	LBRLAIYVHBPXKN-COXVUDFISA-N	0	3	322.474	2.574	20	30		DFEDHN
COCCN(Cc1ccc(OC)c(C#N)c1)[C@H]1CCCSC1	ZINC000433182042	429007418	/nfs/dbraw/zinc/00/74/18/429007418.db2.gz	MVNDDEYPECHLHA-INIZCTEOSA-N	0	3	320.458	2.911	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Br)cc1	ZINC000424103260	429090895	/nfs/dbraw/zinc/09/08/95/429090895.db2.gz	CYZWYDQADSYUMK-MFKMUULPSA-N	0	3	324.222	2.647	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1	ZINC000424123539	429094845	/nfs/dbraw/zinc/09/48/45/429094845.db2.gz	LBVSRURDDQZNAQ-CYBMUJFWSA-N	0	3	305.353	2.574	20	30		DFEDHN
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424125963	429095154	/nfs/dbraw/zinc/09/51/54/429095154.db2.gz	OJSOGFQMRUJOBN-KCXAZCMYSA-N	0	3	303.381	2.756	20	30		DFEDHN
N#CC1(c2ccccc2)CCC(N[C@H]2CNCCC2(F)F)CC1	ZINC000423478801	429095402	/nfs/dbraw/zinc/09/54/02/429095402.db2.gz	LPBRRBTUYICXKS-CGZBRXJRSA-N	0	3	319.399	2.977	20	30		DFEDHN
CC(C)(C#N)CCCN(CCN1CCOCC1)Cc1ccco1	ZINC000452049940	429044882	/nfs/dbraw/zinc/04/48/82/429044882.db2.gz	QFBSCGGYYFHRFC-UHFFFAOYSA-N	0	3	319.449	2.744	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)NCc2ccc(C#N)s2)C1	ZINC000422219425	429049814	/nfs/dbraw/zinc/04/98/14/429049814.db2.gz	OIOZAEYUAGUKDT-UHFFFAOYSA-N	0	3	320.462	2.541	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC[C@@H]1CCCCN1C1CC1	ZINC000433805873	429052785	/nfs/dbraw/zinc/05/27/85/429052785.db2.gz	ZCPJVKRMDMDZRL-INIZCTEOSA-N	0	3	306.413	2.957	20	30		DFEDHN
CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)CCCC#N	ZINC000424058397	429084062	/nfs/dbraw/zinc/08/40/62/429084062.db2.gz	DFPPCPUGIGBLNC-HNNXBMFYSA-N	0	3	313.401	2.975	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1	ZINC000424060667	429085010	/nfs/dbraw/zinc/08/50/10/429085010.db2.gz	DAKQCRPDFIOOPG-HZPDHXFCSA-N	0	3	303.406	2.530	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000376262288	429085631	/nfs/dbraw/zinc/08/56/31/429085631.db2.gz	OAJNUFDGMNOXKX-JSGCOSHPSA-N	0	3	300.362	2.529	20	30		DFEDHN
CCOc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1	ZINC000424063136	429085758	/nfs/dbraw/zinc/08/57/58/429085758.db2.gz	HPTQDSDUHVXWLW-SJORKVTESA-N	0	3	315.417	2.770	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000453359163	429146748	/nfs/dbraw/zinc/14/67/48/429146748.db2.gz	NVQUHJKASISLQT-IMJJTQAJSA-N	0	3	321.417	2.715	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000424502662	429147401	/nfs/dbraw/zinc/14/74/01/429147401.db2.gz	RMCXXSJKCQLYPF-JQHSSLGASA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453364268	429147944	/nfs/dbraw/zinc/14/79/44/429147944.db2.gz	RDVWZPQPVSQEHO-JSGCOSHPSA-N	0	3	308.378	2.971	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000364010294	429157666	/nfs/dbraw/zinc/15/76/66/429157666.db2.gz	CDUXNZCSCAQMMI-CABCVRRESA-N	0	3	319.355	2.535	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453425694	429150032	/nfs/dbraw/zinc/15/00/32/429150032.db2.gz	OEBCHTVCNOJZQC-GJZGRUSLSA-N	0	3	305.470	2.897	20	30		DFEDHN
Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)n1	ZINC000424139977	429098635	/nfs/dbraw/zinc/09/86/35/429098635.db2.gz	ATSWVLRYBTXESM-STQMWFEESA-N	0	3	306.435	2.526	20	30		DFEDHN
CC1(C)CC[C@H](CNC(=O)[C@H](N)CCCC#N)c2ccccc21	ZINC000424165816	429103113	/nfs/dbraw/zinc/10/31/13/429103113.db2.gz	FJJVPPDSYPADGM-RHSMWYFYSA-N	0	3	313.445	2.979	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N(C)CCN1CCOC(C)(C)C1	ZINC000434709561	429108885	/nfs/dbraw/zinc/10/88/85/429108885.db2.gz	VINXMQGCIFYPPA-HNNXBMFYSA-N	0	3	301.434	2.662	20	30		DFEDHN
CCN1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000412870154	429109710	/nfs/dbraw/zinc/10/97/10/429109710.db2.gz	FLYSCXLORRGALJ-HNNXBMFYSA-N	0	3	324.428	2.769	20	30		DFEDHN
Cn1cc(CN2CCCC[C@@H]2CCO)c(-c2ccc(C#N)cc2)n1	ZINC000376498755	429123578	/nfs/dbraw/zinc/12/35/78/429123578.db2.gz	BGSDXPNWCYXJKS-GOSISDBHSA-N	0	3	324.428	2.696	20	30		DFEDHN
Cc1ccc([C@@H](CCn2cncn2)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424331702	429127871	/nfs/dbraw/zinc/12/78/71/429127871.db2.gz	SGLSZIYTZWQIDM-CGTJXYLNSA-N	0	3	309.417	3.000	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(C#N)cc1	ZINC000363866209	429130984	/nfs/dbraw/zinc/13/09/84/429130984.db2.gz	ZIGOYOKXPSLBIH-KDOFPFPSSA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCOCC1	ZINC000424606086	429161965	/nfs/dbraw/zinc/16/19/65/429161965.db2.gz	JFJJPWWQBRDVKN-CVEARBPZSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCC2CC(F)(F)C2)CC1	ZINC000454470040	429167372	/nfs/dbraw/zinc/16/73/72/429167372.db2.gz	VTLPHZOXHMVQQI-UHFFFAOYSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1	ZINC000454662115	429169605	/nfs/dbraw/zinc/16/96/05/429169605.db2.gz	CNFPXGNPSLYABP-PBHICJAKSA-N	0	3	315.417	2.809	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000424650281	429169903	/nfs/dbraw/zinc/16/99/03/429169903.db2.gz	UKWJTYSHMRKOLE-IYBDPMFKSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCOCC1	ZINC000424583482	429158738	/nfs/dbraw/zinc/15/87/38/429158738.db2.gz	LYHHZYBLRYWSCP-HZPDHXFCSA-N	0	3	308.466	2.596	20	30		DFEDHN
Cc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)ccc1C#N	ZINC000487881938	429171520	/nfs/dbraw/zinc/17/15/20/429171520.db2.gz	PJLLBSGTTATANF-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000454712524	429171546	/nfs/dbraw/zinc/17/15/46/429171546.db2.gz	AVNFMWRKZFCDBT-HOTGVXAUSA-N	0	3	301.434	2.943	20	30		DFEDHN
Cc1nc(NCC(C)(C)N2CCc3ccccc3C2)ccc1C#N	ZINC000487911774	429173842	/nfs/dbraw/zinc/17/38/42/429173842.db2.gz	FFNRGDNXJRDGSY-UHFFFAOYSA-N	0	3	320.440	3.511	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000495091038	429177488	/nfs/dbraw/zinc/17/74/88/429177488.db2.gz	BLNKYHRIRQLNNE-IAGOWNOFSA-N	0	3	318.417	2.547	20	30		DFEDHN
Cc1cc(CN2CCCC[C@@H]2CN2CCOCC2)ccc1C#N	ZINC000488406905	429180117	/nfs/dbraw/zinc/18/01/17/429180117.db2.gz	LQMJATGVKPBDNJ-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
COCCCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000488425526	429180446	/nfs/dbraw/zinc/18/04/46/429180446.db2.gz	BRONOSOHGDXMDF-UHFFFAOYSA-N	0	3	302.418	2.884	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1CCN(C)C	ZINC000455233628	429183339	/nfs/dbraw/zinc/18/33/39/429183339.db2.gz	ULVNJHLRVNNSGK-SJORKVTESA-N	0	3	317.433	2.646	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2cccc(C#N)c2F)C1	ZINC000495482463	429213845	/nfs/dbraw/zinc/21/38/45/429213845.db2.gz	VRIJOSVRPAPTSW-DOMZBBRYSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1	ZINC000489121667	429218442	/nfs/dbraw/zinc/21/84/42/429218442.db2.gz	YRGRAPRTOIWUPW-GASCZTMLSA-N	0	3	316.511	2.629	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1	ZINC000455977689	429228136	/nfs/dbraw/zinc/22/81/36/429228136.db2.gz	CDENDIFIZVKCIX-AWEZNQCLSA-N	0	3	300.406	2.672	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1	ZINC000456011641	429231619	/nfs/dbraw/zinc/23/16/19/429231619.db2.gz	UYSZZTSYQFUZQN-BBRMVZONSA-N	0	3	300.406	2.813	20	30		DFEDHN
C=CCC1(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CCOCC1	ZINC000424836635	429198567	/nfs/dbraw/zinc/19/85/67/429198567.db2.gz	SOMYHFPVAOVOFX-MRXNPFEDSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000488808308	429200558	/nfs/dbraw/zinc/20/05/58/429200558.db2.gz	YRHVPEVJSRIXQP-FUHWJXTLSA-N	0	3	309.413	2.849	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)OC)CC1	ZINC000488845206	429202649	/nfs/dbraw/zinc/20/26/49/429202649.db2.gz	YNKWMZIJYYTPPX-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1CCC(C#N)CC1	ZINC000442737670	429234558	/nfs/dbraw/zinc/23/45/58/429234558.db2.gz	MFTNYEDQPXUOST-QQFBHYJXSA-N	0	3	320.481	2.688	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCCCC1	ZINC000495631144	429235904	/nfs/dbraw/zinc/23/59/04/429235904.db2.gz	LJYOVKHQTPMIKE-HUUCEWRRSA-N	0	3	321.421	2.540	20	30		DFEDHN
C[S@@](=O)C1(CN[C@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000442822586	429236258	/nfs/dbraw/zinc/23/62/58/429236258.db2.gz	OWHCBTZOGHOXGQ-HRAATJIYSA-N	0	3	302.443	2.826	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CC2)C(C)(C)C1	ZINC000495659236	429240498	/nfs/dbraw/zinc/24/04/98/429240498.db2.gz	RMLOPFVVIGSXMN-ZDUSSCGKSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCOCCN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000495652085	429240846	/nfs/dbraw/zinc/24/08/46/429240846.db2.gz	OKVZFVIGELECNV-HUUCEWRRSA-N	0	3	312.454	2.814	20	30		DFEDHN
C=CCCCN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495667906	429242543	/nfs/dbraw/zinc/24/25/43/429242543.db2.gz	FALHKQBGRRJGJM-GJZGRUSLSA-N	0	3	310.438	2.663	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2cc(C#N)ccn2)CC1	ZINC000425242951	429249410	/nfs/dbraw/zinc/24/94/10/429249410.db2.gz	SJWUAAAQFXRKBP-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cccc1[N+](=O)[O-]	ZINC000425255423	429253093	/nfs/dbraw/zinc/25/30/93/429253093.db2.gz	PNSUBOIKXDGSCH-OCCSQVGLSA-N	0	3	300.362	2.529	20	30		DFEDHN
C=CCCCS(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1	ZINC000489844233	429264095	/nfs/dbraw/zinc/26/40/95/429264095.db2.gz	KSJWPFFNOGSZPY-INIZCTEOSA-N	0	3	314.495	2.669	20	30		DFEDHN
C=CCOc1ccc(CN(C[C@@H]2CNC(=O)O2)C(C)(C)C)cc1	ZINC000495784920	429266080	/nfs/dbraw/zinc/26/60/80/429266080.db2.gz	HEPTYKPBFFNSTJ-INIZCTEOSA-N	0	3	318.417	2.960	20	30		DFEDHN
C=C(C)CCN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495799521	429267932	/nfs/dbraw/zinc/26/79/32/429267932.db2.gz	HQLNCJYLNDVLPH-CABCVRRESA-N	0	3	310.438	2.663	20	30		DFEDHN
CCCNC(=O)OC[C@@H]1CCCCN1CCCSCC#N	ZINC000495834409	429275238	/nfs/dbraw/zinc/27/52/38/429275238.db2.gz	CBUGPPYXHSUAQA-AWEZNQCLSA-N	0	3	313.467	2.624	20	30		DFEDHN
C=CCC[C@H](O)CNC1(c2ccc(OC)c(F)c2)CCOCC1	ZINC000444817873	429277218	/nfs/dbraw/zinc/27/72/18/429277218.db2.gz	VNMKGMUWOHKMDN-HNNXBMFYSA-N	0	3	323.408	2.757	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000448810824	429318328	/nfs/dbraw/zinc/31/83/28/429318328.db2.gz	JMOCXTFPWHWKAD-MGPUTAFESA-N	0	3	323.440	2.585	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000448810941	429318376	/nfs/dbraw/zinc/31/83/76/429318376.db2.gz	OLBFHYWZUANPQG-SUMDDJOVSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000448810830	429319196	/nfs/dbraw/zinc/31/91/96/429319196.db2.gz	JMOCXTFPWHWKAD-YWZLYKJASA-N	0	3	323.440	2.585	20	30		DFEDHN
CC1(C)C[C@@H](O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000456534135	429319381	/nfs/dbraw/zinc/31/93/81/429319381.db2.gz	IVEFHCGXXVJYJQ-SJORKVTESA-N	0	3	314.429	2.768	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COc1ccccc1	ZINC000425542165	429320236	/nfs/dbraw/zinc/32/02/36/429320236.db2.gz	QFNYTJWGXKVRCP-QAPCUYQASA-N	0	3	310.397	2.991	20	30		DFEDHN
C#C[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccc(Cl)cc1F	ZINC000491127033	429327565	/nfs/dbraw/zinc/32/75/65/429327565.db2.gz	VFYKOMVRPWPCQE-CYBMUJFWSA-N	0	3	305.740	2.544	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000491165132	429329197	/nfs/dbraw/zinc/32/91/97/429329197.db2.gz	IUUQIFBMIWEUKS-CQSZACIVSA-N	0	3	319.405	2.599	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000491165130	429329667	/nfs/dbraw/zinc/32/96/67/429329667.db2.gz	IUUQIFBMIWEUKS-AWEZNQCLSA-N	0	3	319.405	2.599	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1	ZINC000425644610	429332866	/nfs/dbraw/zinc/33/28/66/429332866.db2.gz	MZBONJPIKXCEAP-WMLDXEAASA-N	0	3	315.417	2.809	20	30		DFEDHN
C#C[C@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491241602	429338061	/nfs/dbraw/zinc/33/80/61/429338061.db2.gz	KFGMUJNLLXZAIT-NVXWUHKLSA-N	0	3	302.393	2.566	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1	ZINC000491309188	429347864	/nfs/dbraw/zinc/34/78/64/429347864.db2.gz	XNNBNZBWTOOBDP-KCXAZCMYSA-N	0	3	319.836	2.796	20	30		DFEDHN
CC1(C#N)CCC(N[C@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000449139954	429341694	/nfs/dbraw/zinc/34/16/94/429341694.db2.gz	BKESCSOMCOQEHR-DBQDNQAGSA-N	0	3	315.392	2.993	20	30		DFEDHN
CC1(C#N)CCC(N[C@@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000449139955	429342487	/nfs/dbraw/zinc/34/24/87/429342487.db2.gz	BKESCSOMCOQEHR-NSWWBONSSA-N	0	3	315.392	2.993	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCCc3ccccc32)CC1	ZINC000490593727	429293913	/nfs/dbraw/zinc/29/39/13/429293913.db2.gz	FFVVKCANRACSLY-LJQANCHMSA-N	0	3	310.441	2.916	20	30		DFEDHN
C=C(C)COCCNC(=O)Nc1ccccc1CCN(C)C	ZINC000446565944	429299022	/nfs/dbraw/zinc/29/90/22/429299022.db2.gz	RFBQLXDLGDGSFQ-UHFFFAOYSA-N	0	3	305.422	2.505	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000490714190	429302800	/nfs/dbraw/zinc/30/28/00/429302800.db2.gz	NOQZTKAJNFJJER-HOCLYGCPSA-N	0	3	319.474	2.796	20	30		DFEDHN
N#CC1(CCN2CC[C@@H](CN3CCOC3=O)C2)CCCCC1	ZINC000496085900	429304295	/nfs/dbraw/zinc/30/42/95/429304295.db2.gz	YRIJVUPLXVLKDT-OAHLLOKOSA-N	0	3	305.422	2.625	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)C1	ZINC000447529820	429304442	/nfs/dbraw/zinc/30/44/42/429304442.db2.gz	MTJRAZNEXCYISK-UGUYLWEFSA-N	0	3	308.372	2.896	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000490780615	429305299	/nfs/dbraw/zinc/30/52/99/429305299.db2.gz	MSRVXBNIVXMLID-WMZOPIPTSA-N	0	3	313.445	2.562	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000448560814	429313333	/nfs/dbraw/zinc/31/33/33/429313333.db2.gz	CHYGSDFPVHLPQP-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1CCO	ZINC000448681004	429314960	/nfs/dbraw/zinc/31/49/60/429314960.db2.gz	NNAWXJPYRQMIKD-IRXDYDNUSA-N	0	3	300.402	2.522	20	30		DFEDHN
C[C@H]1CC2(CCC2)CN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000365419643	429315693	/nfs/dbraw/zinc/31/56/93/429315693.db2.gz	BMPNTTRPUZXEKV-YOEHRIQHSA-N	0	3	309.413	2.928	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1	ZINC000491309190	429347255	/nfs/dbraw/zinc/34/72/55/429347255.db2.gz	XNNBNZBWTOOBDP-RCBQFDQVSA-N	0	3	319.836	2.796	20	30		DFEDHN
CN1CCC(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000365894089	429398501	/nfs/dbraw/zinc/39/85/01/429398501.db2.gz	ZPQQEYOSJJIOQT-UHFFFAOYSA-N	0	3	323.440	2.906	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000491748040	429402762	/nfs/dbraw/zinc/40/27/62/429402762.db2.gz	XGTUFRKGYHTRHU-JQHSSLGASA-N	0	3	313.445	2.608	20	30		DFEDHN
C=C(CC)CNC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000456815630	429351901	/nfs/dbraw/zinc/35/19/01/429351901.db2.gz	YKPDKULPPRDHDJ-UHFFFAOYSA-N	0	3	315.461	2.590	20	30		DFEDHN
CC(C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1	ZINC000491366296	429353764	/nfs/dbraw/zinc/35/37/64/429353764.db2.gz	JPXHQNWHALFWLA-CYBMUJFWSA-N	0	3	323.437	2.880	20	30		DFEDHN
C#CCN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1	ZINC000491382413	429354357	/nfs/dbraw/zinc/35/43/57/429354357.db2.gz	INBIJTMNAPJNBB-SFHVURJKSA-N	0	3	307.397	2.647	20	30		DFEDHN
C#CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1	ZINC000491385349	429354880	/nfs/dbraw/zinc/35/48/80/429354880.db2.gz	RCTGCYTWMQBMNK-RDJZCZTQSA-N	0	3	311.429	2.629	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1C	ZINC000426137933	429367477	/nfs/dbraw/zinc/36/74/77/429367477.db2.gz	INRXFWGTNSFFAA-ZYHUDNBSSA-N	0	3	306.797	2.816	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc2cc(Cl)sc2[nH]1	ZINC000491795348	429410174	/nfs/dbraw/zinc/41/01/74/429410174.db2.gz	VHOJAPGREAFPGE-UHFFFAOYSA-N	0	3	309.822	2.568	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](OC(C)C)C1	ZINC000515838218	429379077	/nfs/dbraw/zinc/37/90/77/429379077.db2.gz	RRVVVZGIIPPAQS-QZTJIDSGSA-N	0	3	319.445	2.654	20	30		DFEDHN
CC[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000516050332	429379351	/nfs/dbraw/zinc/37/93/51/429379351.db2.gz	SMOJWJLCLABKCS-KOMQPUFPSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN(C)C1	ZINC000517088870	429387400	/nfs/dbraw/zinc/38/74/00/429387400.db2.gz	RGHCWJFDSHWCTQ-ZWKOTPCHSA-N	0	3	315.461	2.815	20	30		DFEDHN
C#C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000491672053	429389468	/nfs/dbraw/zinc/38/94/68/429389468.db2.gz	GQUTYENCAKNMQV-OAHLLOKOSA-N	0	3	308.784	2.611	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnc(C2CC2)nc1	ZINC000519085765	429446223	/nfs/dbraw/zinc/44/62/23/429446223.db2.gz	QQDRMPWRSFEQNX-ZDUSSCGKSA-N	0	3	317.352	2.731	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C\C1CCOCC1)C(C)C	ZINC000491846903	429419608	/nfs/dbraw/zinc/41/96/08/429419608.db2.gz	PFJMXZBRDQLJLU-ZEVQVBBLSA-N	0	3	320.477	2.784	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCC2CC(F)(F)C2)cc1	ZINC000457184554	429422321	/nfs/dbraw/zinc/42/23/21/429422321.db2.gz	MUODYDWIVNDGQI-HNNXBMFYSA-N	0	3	317.339	2.792	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](OC)[C@H](C)C2)cc(OC)c1O	ZINC000449493167	429434032	/nfs/dbraw/zinc/43/40/32/429434032.db2.gz	DLAVQOSLCPLNQT-CJNGLKHVSA-N	0	3	305.418	2.986	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccccc2Cl)CC1	ZINC000491938639	429437143	/nfs/dbraw/zinc/43/71/43/429437143.db2.gz	MEEBLGICYDARSU-HJWRWDBZSA-N	0	3	316.832	2.957	20	30		DFEDHN
C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000492137755	429475056	/nfs/dbraw/zinc/47/50/56/429475056.db2.gz	VPLPLQBVJJRZGE-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000449875220	429530242	/nfs/dbraw/zinc/53/02/42/429530242.db2.gz	XWPXGAIAOKJYRE-UHFFFAOYSA-N	0	3	314.433	2.531	20	30		DFEDHN
CC1(C)CCCc2cc(C#N)c(N3CCN4CCC[C@@H]4C3)nc21	ZINC000428116079	429491679	/nfs/dbraw/zinc/49/16/79/429491679.db2.gz	PIYDTORECLEUDP-MRXNPFEDSA-N	0	3	310.445	2.852	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000520355627	429511023	/nfs/dbraw/zinc/51/10/23/429511023.db2.gz	DTIGBWJRHTTXGF-FQEVSTJZSA-N	0	3	318.420	2.910	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H](NCc1ccc(C#N)cc1)C1CC1	ZINC000153835743	275828454	/nfs/dbraw/zinc/82/84/54/275828454.db2.gz	XQSPTDUAUSLQSF-MRXNPFEDSA-N	0	3	315.417	2.951	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1	ZINC000366968704	429549712	/nfs/dbraw/zinc/54/97/12/429549712.db2.gz	GOIGHMKJROLQIM-SUMWQHHRSA-N	0	3	310.401	2.878	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCOCC2	ZINC000367009454	429558806	/nfs/dbraw/zinc/55/88/06/429558806.db2.gz	LRYJVXOEYYHTPU-IAGOWNOFSA-N	0	3	318.392	2.761	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1cc(C)c(C#N)cn1	ZINC000457820332	429534644	/nfs/dbraw/zinc/53/46/44/429534644.db2.gz	ZKJXFUJTFLUGFS-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
CO[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C12CCC2	ZINC000458156197	429588883	/nfs/dbraw/zinc/58/88/83/429588883.db2.gz	CFWPIHGEVGGQII-IXDOHACOSA-N	0	3	312.413	2.833	20	30		DFEDHN
Cn1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)n1	ZINC000521172505	429541803	/nfs/dbraw/zinc/54/18/03/429541803.db2.gz	UXGCYCSGWFBRIG-UHFFFAOYSA-N	0	3	310.401	2.772	20	30		DFEDHN
CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N	ZINC000492821476	429622796	/nfs/dbraw/zinc/62/27/96/429622796.db2.gz	YFVRJNHXPJNVKA-LRDDRELGSA-N	0	3	311.426	2.592	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000450346973	429607215	/nfs/dbraw/zinc/60/72/15/429607215.db2.gz	GJFFQNVKKIEJCE-SJORKVTESA-N	0	3	316.445	2.604	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CC(OCC)C2)C1	ZINC000367590588	429680121	/nfs/dbraw/zinc/68/01/21/429680121.db2.gz	VGBMPOLPULFHPH-HJOIGYKYSA-N	0	3	308.466	2.691	20	30		DFEDHN
CC/C=C\CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000458966411	429694534	/nfs/dbraw/zinc/69/45/34/429694534.db2.gz	GWRCYTKVZVGZMV-WAYWQWQTSA-N	0	3	314.433	2.598	20	30		DFEDHN
COCCOc1ccc(C#N)cc1NC1CCN(C2CC2)CC1	ZINC000459476734	429698246	/nfs/dbraw/zinc/69/82/46/429698246.db2.gz	HGEQPNDTLXBMGS-UHFFFAOYSA-N	0	3	315.417	2.622	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000450789480	429700325	/nfs/dbraw/zinc/70/03/25/429700325.db2.gz	FZLGRMUHKMSBCD-MNEFBYGVSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](CN(C)CCOc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000459803043	429702437	/nfs/dbraw/zinc/70/24/37/429702437.db2.gz	JCPXHRNPWAVHHZ-CQSZACIVSA-N	0	3	318.417	2.847	20	30		DFEDHN
CC(C)C[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000469255536	429710442	/nfs/dbraw/zinc/71/04/42/429710442.db2.gz	ITDJOKBDUYVXCV-GOSISDBHSA-N	0	3	313.445	2.933	20	30		DFEDHN
N#CC1(NC(=O)CN(CC2CC2)CC2CCC2)CCCCC1	ZINC000483277669	429733270	/nfs/dbraw/zinc/73/32/70/429733270.db2.gz	LJBJUVHTMDBGRV-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)C(=O)N1CCCC1	ZINC000527810162	429804062	/nfs/dbraw/zinc/80/40/62/429804062.db2.gz	LJWMSBWPYVKELR-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]1[C@H]1CCCO1	ZINC000368077736	429781690	/nfs/dbraw/zinc/78/16/90/429781690.db2.gz	YNKCMPOWOBWYJB-HZPDHXFCSA-N	0	3	306.450	2.976	20	30		DFEDHN
Cc1cccc2c1OC[C@@H](NCc1cnc3ccc(C#N)cn13)C2	ZINC000368111846	429791497	/nfs/dbraw/zinc/79/14/97/429791497.db2.gz	IWRNTYGGWQJNAB-INIZCTEOSA-N	0	3	318.380	2.608	20	30		DFEDHN
CC[C@@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000293338598	276533843	/nfs/dbraw/zinc/53/38/43/276533843.db2.gz	GLSVJCNVIWICMJ-BRWVUGGUSA-N	0	3	320.458	2.955	20	30		DFEDHN
N#Cc1cccnc1N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000368133208	429794800	/nfs/dbraw/zinc/79/48/00/429794800.db2.gz	UAVGWHYYCNDKNN-RTBURBONSA-N	0	3	318.424	2.912	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)C1	ZINC000527976903	429829139	/nfs/dbraw/zinc/82/91/39/429829139.db2.gz	LDTYAJPRIJYRRS-YQQAZPJKSA-N	0	3	318.465	2.775	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1ccc(F)cc1	ZINC000368389524	429841163	/nfs/dbraw/zinc/84/11/63/429841163.db2.gz	ISFQPGFAWHSKTL-GMLZMKKNSA-N	0	3	315.392	2.769	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)ncn1	ZINC000528114972	429848922	/nfs/dbraw/zinc/84/89/22/429848922.db2.gz	NMFFGRGKMQYSRH-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)cnn1	ZINC000528117632	429850606	/nfs/dbraw/zinc/85/06/06/429850606.db2.gz	WNXKXYGHEBOJGU-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC	ZINC000451593733	429859137	/nfs/dbraw/zinc/85/91/37/429859137.db2.gz	UEAKEWLEOZAIGK-XHSDSOJGSA-N	0	3	324.465	2.511	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccccc1C(C)(C)C	ZINC000451603039	429860893	/nfs/dbraw/zinc/86/08/93/429860893.db2.gz	YTQYKIGJTYADLN-CVEARBPZSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC000451608821	429861163	/nfs/dbraw/zinc/86/11/63/429861163.db2.gz	UGWMUMLVOUUFCY-MAZHCROVSA-N	0	3	322.836	2.793	20	30		DFEDHN
C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000494237923	429861626	/nfs/dbraw/zinc/86/16/26/429861626.db2.gz	NWNRGPRUUNNYCZ-XMZIXOGTSA-N	0	3	321.808	2.696	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000368531615	429863452	/nfs/dbraw/zinc/86/34/52/429863452.db2.gz	WEGLQXPBSXNXIS-KURKYZTESA-N	0	3	322.493	2.817	20	30		DFEDHN
CCN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)CO	ZINC000292305179	335087744	/nfs/dbraw/zinc/08/77/44/335087744.db2.gz	UYRMEYBFPDDBJT-GFCCVEGCSA-N	0	3	301.308	2.639	20	30		DFEDHN
CC#CCCN1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1	ZINC000368632220	429880210	/nfs/dbraw/zinc/88/02/10/429880210.db2.gz	MKQNMMKXGLFISO-CABCVRRESA-N	0	3	307.340	2.567	20	30		DFEDHN
COc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1C	ZINC000368637250	429882162	/nfs/dbraw/zinc/88/21/62/429882162.db2.gz	KEONJMFLTSGUDF-KRWDZBQOSA-N	0	3	323.396	2.924	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000528382890	429882624	/nfs/dbraw/zinc/88/26/24/429882624.db2.gz	UKCVMERMIOQQGQ-MAUKXSAKSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)CC1	ZINC000528384306	429883596	/nfs/dbraw/zinc/88/35/96/429883596.db2.gz	RFBJZLKUPAZPBX-OAHLLOKOSA-N	0	3	318.392	2.724	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1	ZINC000528399404	429885505	/nfs/dbraw/zinc/88/55/05/429885505.db2.gz	WTTWYOUHJQSICD-XFQXTVEOSA-N	0	3	322.408	2.991	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CCC(C2CCC2)CC1	ZINC000528544781	429898396	/nfs/dbraw/zinc/89/83/96/429898396.db2.gz	BYSXVPKMPBVNMQ-SFHVURJKSA-N	0	3	314.429	2.810	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCCN(C2CCCC2)CC1	ZINC000368891110	429900718	/nfs/dbraw/zinc/90/07/18/429900718.db2.gz	ZSEOYMCOTDVPES-GOSISDBHSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)OCCNC2	ZINC000528710554	429909028	/nfs/dbraw/zinc/90/90/28/429909028.db2.gz	SIQUGSQSWOPEAR-OAHLLOKOSA-N	0	3	301.390	2.741	20	30		DFEDHN
Cc1cc(CN2CCC(C)(N3CCOCC3)CC2)ccc1C#N	ZINC000528727820	429910095	/nfs/dbraw/zinc/91/00/95/429910095.db2.gz	VALPAKYYCSYENN-UHFFFAOYSA-N	0	3	313.445	2.553	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C1CC1)C1CCC(C)CC1	ZINC000451675805	429870969	/nfs/dbraw/zinc/87/09/69/429870969.db2.gz	RHSPHURMHAGRMR-UQVLAFNGSA-N	0	3	320.477	2.879	20	30		DFEDHN
CC(C)(C#N)CCN(CCC(N)=O)[C@@H]1CCOc2ccccc21	ZINC000451706973	429876103	/nfs/dbraw/zinc/87/61/03/429876103.db2.gz	HKTZCYFPYUENSG-OAHLLOKOSA-N	0	3	315.417	2.627	20	30		DFEDHN
Fc1ccc(C#CCN2CCCN(c3ccncc3)CC2)cc1	ZINC000639706201	429955608	/nfs/dbraw/zinc/95/56/08/429955608.db2.gz	WLARJNPXDVBDMC-UHFFFAOYSA-N	0	3	309.388	2.785	20	30		DFEDHN
COc1cc(CN(C)CCOCCC#N)ccc1OC(F)F	ZINC000573745025	429979169	/nfs/dbraw/zinc/97/91/69/429979169.db2.gz	FHJQGNMDRDJLDJ-UHFFFAOYSA-N	0	3	314.332	2.659	20	30		DFEDHN
N#CC(C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)C(=O)N1CCCC1	ZINC000528914808	429933306	/nfs/dbraw/zinc/93/33/06/429933306.db2.gz	MKZSFZYZRIDQBG-OWCLPIDISA-N	0	3	314.360	2.651	20	30		DFEDHN
CCc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C3CC3)c2)cc1	ZINC000528921200	429934945	/nfs/dbraw/zinc/93/49/45/429934945.db2.gz	SEMZTEYBZKKHFH-MRXNPFEDSA-N	0	3	322.368	2.742	20	30		DFEDHN
CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccc(F)cc1	ZINC000528918108	429935179	/nfs/dbraw/zinc/93/51/79/429935179.db2.gz	OAGQKEQYWDTFOY-RHSMWYFYSA-N	0	3	313.332	2.797	20	30		DFEDHN
N#CCC[C@H](C#N)CNCCC1CCN(CC(F)(F)F)CC1	ZINC000573236539	429936630	/nfs/dbraw/zinc/93/66/30/429936630.db2.gz	DBRDIPQMPUOFJN-CQSZACIVSA-N	0	3	316.371	2.684	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ccncn2)C1)c1ccc(C#N)s1	ZINC000369444392	429944859	/nfs/dbraw/zinc/94/48/59/429944859.db2.gz	UNTOBZLYZFJTJV-STQMWFEESA-N	0	3	313.430	2.729	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCN1C1CCCC1	ZINC000529009693	429949990	/nfs/dbraw/zinc/94/99/90/429949990.db2.gz	LJWGDGQZBQINNM-OAHLLOKOSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(F)cn1	ZINC000529567032	430031874	/nfs/dbraw/zinc/03/18/74/430031874.db2.gz	SXTJLPYYQBKEHO-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1	ZINC000529573027	430033153	/nfs/dbraw/zinc/03/31/53/430033153.db2.gz	DPHMCMASXABTIG-XMTFNYHQSA-N	0	3	307.397	2.793	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000639919340	430022022	/nfs/dbraw/zinc/02/20/22/430022022.db2.gz	QPXWPQNQVOOUIX-ZIAGYGMSSA-N	0	3	303.324	2.656	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC12CCCC2	ZINC000574245064	430023983	/nfs/dbraw/zinc/02/39/83/430023983.db2.gz	MZNGGSBXUCOCFJ-KSSFIOAISA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1ccc(C#N)cc1	ZINC000574270668	430026352	/nfs/dbraw/zinc/02/63/52/430026352.db2.gz	HEJKRBSUULJFEL-IBGZPJMESA-N	0	3	322.408	2.816	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNc2cc(C#N)ncn2)N(C)C)cc1	ZINC000561696779	430097880	/nfs/dbraw/zinc/09/78/80/430097880.db2.gz	GONBTYRDZDYSOX-SFHVURJKSA-N	0	3	323.444	3.262	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1	ZINC000637662398	430102312	/nfs/dbraw/zinc/10/23/12/430102312.db2.gz	USLHUACDCGRSDE-CQSZACIVSA-N	0	3	317.437	2.580	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)cc1	ZINC000373101371	276877573	/nfs/dbraw/zinc/87/75/73/276877573.db2.gz	XIPOKNQEJUNVID-OALUTQOASA-N	0	3	319.408	2.906	20	30		DFEDHN
C=CCCCCN1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1	ZINC000575132391	430055391	/nfs/dbraw/zinc/05/53/91/430055391.db2.gz	DLZWDOVYNIGYNN-INIZCTEOSA-N	0	3	307.463	2.845	20	30		DFEDHN
C=CCCCCN1CC[C@](NC(C)=O)(c2nc(C)cs2)C1	ZINC000575132392	430055451	/nfs/dbraw/zinc/05/54/51/430055451.db2.gz	DLZWDOVYNIGYNN-MRXNPFEDSA-N	0	3	307.463	2.845	20	30		DFEDHN
O[C@@H]1C[C@@H](C2CC2)N(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000640047887	430072263	/nfs/dbraw/zinc/07/22/63/430072263.db2.gz	XPDUSBROYJEOOK-CVEARBPZSA-N	0	3	309.331	2.902	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC1(C2CC2)CC1)C(C)C	ZINC000532134821	430152003	/nfs/dbraw/zinc/15/20/03/430152003.db2.gz	CTCQOFHWGXCANB-MRXNPFEDSA-N	0	3	305.466	2.927	20	30		DFEDHN
CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000581013650	430169999	/nfs/dbraw/zinc/16/99/99/430169999.db2.gz	JIUXPPJMPVRBJB-KRWDZBQOSA-N	0	3	317.389	2.839	20	30		DFEDHN
C=CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1CCCCC1	ZINC000541349319	430188845	/nfs/dbraw/zinc/18/88/45/430188845.db2.gz	QYESCFGMXNBBMM-UHFFFAOYSA-N	0	3	324.465	2.513	20	30		DFEDHN
Cc1noc([C@@H](C)N(C)C(=O)C(C#N)CCc2ccccc2)n1	ZINC000566748130	430273074	/nfs/dbraw/zinc/27/30/74/430273074.db2.gz	LTACCSUBTLTTAF-DOMZBBRYSA-N	0	3	312.373	2.670	20	30		DFEDHN
Cc1noc([C@@H](C)N(C)C(=O)C(C#N)CCc2ccccc2)n1	ZINC000566748132	430273510	/nfs/dbraw/zinc/27/35/10/430273510.db2.gz	LTACCSUBTLTTAF-IUODEOHRSA-N	0	3	312.373	2.670	20	30		DFEDHN
CC(C)C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cccs1	ZINC000567227623	430281333	/nfs/dbraw/zinc/28/13/33/430281333.db2.gz	SYLOBVRJPAJTGP-HUUCEWRRSA-N	0	3	309.479	2.631	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000567378767	430284059	/nfs/dbraw/zinc/28/40/59/430284059.db2.gz	HEJRDHNNBZDTOY-IAGOWNOFSA-N	0	3	301.434	2.945	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCCC[C@@H]1C	ZINC000567745691	430288425	/nfs/dbraw/zinc/28/84/25/430288425.db2.gz	IQXAYAIQTGHHLE-HOTGVXAUSA-N	0	3	320.481	2.975	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1	ZINC000569003033	430414769	/nfs/dbraw/zinc/41/47/69/430414769.db2.gz	LJUOWADQFGWFPB-AEFFLSMTSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CNCC(C)(C)CC#N)c1C	ZINC000568501941	430363817	/nfs/dbraw/zinc/36/38/17/430363817.db2.gz	JJPSMKYZOIDLDE-INIZCTEOSA-N	0	3	304.434	2.881	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)[C@@H]1CN2CCC[C@H]2CO1	ZINC000635898271	430408498	/nfs/dbraw/zinc/40/84/98/430408498.db2.gz	YLWOTDCSTTXDJK-RDJZCZTQSA-N	0	3	300.402	2.607	20	30		DFEDHN
N#Cc1nnc2ccccc2c1NC[C@@H]1CCCCN1C1CC1	ZINC000583909416	430439430	/nfs/dbraw/zinc/43/94/30/430439430.db2.gz	VXZCJFYNHTVLOF-AWEZNQCLSA-N	0	3	307.401	2.930	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(C)nn(C)c1Oc1ccccc1	ZINC000641760045	430463288	/nfs/dbraw/zinc/46/32/88/430463288.db2.gz	MJYZVCXFJDIZIU-OAHLLOKOSA-N	0	3	315.417	2.938	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(OC)cc1OC(F)F	ZINC000641760609	430464395	/nfs/dbraw/zinc/46/43/95/430464395.db2.gz	VGKUWQSIMQGJAB-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OC(F)F)c(Cl)c1	ZINC000641769019	430466821	/nfs/dbraw/zinc/46/68/21/430466821.db2.gz	OAKFVWPCRYLZHS-LLVKDONJSA-N	0	3	303.736	2.805	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(-n2cnc3ccccc32)cc1	ZINC000641768506	430467362	/nfs/dbraw/zinc/46/73/62/430467362.db2.gz	AYWIAMJVLQPSJO-KRWDZBQOSA-N	0	3	319.408	2.889	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNc2ccc(C#N)nn2)N(C)C)cc1	ZINC000588848915	430483915	/nfs/dbraw/zinc/48/39/15/430483915.db2.gz	HCHLRGWQIBETSE-SFHVURJKSA-N	0	3	323.444	3.262	20	30		DFEDHN
Cc1ccc(CN(C)CCCc2[nH]nc(N)c2C#N)c(Cl)c1	ZINC000593968985	430499143	/nfs/dbraw/zinc/49/91/43/430499143.db2.gz	UWPAGFYTXIPJHM-UHFFFAOYSA-N	0	3	317.824	2.890	20	30		DFEDHN
C[C@H]1c2ccsc2CCN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599256985	430528346	/nfs/dbraw/zinc/52/83/46/430528346.db2.gz	CSZOEAOKDMPDFJ-UONOGXRCSA-N	0	3	320.458	2.739	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1F	ZINC000549696004	430530450	/nfs/dbraw/zinc/53/04/50/430530450.db2.gz	FTOPFEREHCSOMC-INIZCTEOSA-N	0	3	314.360	2.535	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1	ZINC000636455928	430548844	/nfs/dbraw/zinc/54/88/44/430548844.db2.gz	MHSHGLDOTDCVQZ-RDJZCZTQSA-N	0	3	301.434	2.897	20	30		DFEDHN
CCN(CCc1cccs1)Cc1cnc2c(C#N)cnn2c1	ZINC000570721898	430571845	/nfs/dbraw/zinc/57/18/45/430571845.db2.gz	SPWZYFAOXDWQFP-UHFFFAOYSA-N	0	3	311.414	2.727	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000552034464	430580245	/nfs/dbraw/zinc/58/02/45/430580245.db2.gz	WVHDFAZQVKJZKD-YLJYHZDGSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H](C2CC2)C2CCC2)cc1	ZINC000571022459	430596599	/nfs/dbraw/zinc/59/65/99/430596599.db2.gz	XOXYRROLKQZEJX-MSOLQXFVSA-N	0	3	307.397	2.935	20	30		DFEDHN
COc1ccc(CN[C@H]2c3ccccc3CC[C@H]2CO)cc1C#N	ZINC000372772137	277900277	/nfs/dbraw/zinc/90/02/77/277900277.db2.gz	JHEGQEUNAQENMS-OXJNMPFZSA-N	0	3	322.408	2.952	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000639461724	430646508	/nfs/dbraw/zinc/64/65/08/430646508.db2.gz	VAKGFACPSGOTDK-RTBURBONSA-N	0	3	303.446	2.629	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(N2CCOC[C@H]2C)CC1	ZINC000555879156	430675197	/nfs/dbraw/zinc/67/51/97/430675197.db2.gz	VPKFVKZXXUYRAY-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)c(OC)c2)CCCCC1	ZINC000555929669	430676207	/nfs/dbraw/zinc/67/62/07/430676207.db2.gz	JYBICYKPIYRCFR-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
C=C(C)[C@@H](NC[C@H]1CCc2ncnn21)c1ccc(F)c(F)c1	ZINC000639594113	430678524	/nfs/dbraw/zinc/67/85/24/430678524.db2.gz	NJAHCQSVPBNCQB-MLGOLLRUSA-N	0	3	304.344	2.951	20	30		DFEDHN
C[C@@H](O)CN(CCOc1cccc(C#N)c1)Cc1ccccc1	ZINC000572449097	430687218	/nfs/dbraw/zinc/68/72/18/430687218.db2.gz	DXPBUZKAPFKWFM-MRXNPFEDSA-N	0	3	310.397	2.820	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc3c2OC(C)(C)C3)CC1	ZINC000654747360	430804237	/nfs/dbraw/zinc/80/42/37/430804237.db2.gz	FLKHFFTVEDPEBQ-UHFFFAOYSA-N	0	3	314.429	2.780	20	30		DFEDHN
C=CCN1CCC(NCc2cc(F)c(OC)cc2OC)CC1	ZINC000651700353	430853727	/nfs/dbraw/zinc/85/37/27/430853727.db2.gz	ATDWHXIQHOTLIO-UHFFFAOYSA-N	0	3	308.397	2.583	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1	ZINC000651662876	430842969	/nfs/dbraw/zinc/84/29/69/430842969.db2.gz	QVLZPBRTZDNWJQ-OIISXLGYSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659042331	430949035	/nfs/dbraw/zinc/94/90/35/430949035.db2.gz	KRFCLMXSZOYVDX-GOEBONIOSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1	ZINC000665391537	430919258	/nfs/dbraw/zinc/91/92/58/430919258.db2.gz	CLJURWMPAMLZEY-IKGGRYGDSA-N	0	3	303.450	2.777	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1	ZINC000665393086	430920835	/nfs/dbraw/zinc/92/08/35/430920835.db2.gz	NAGUVOMXDAYQOC-OIISXLGYSA-N	0	3	305.466	2.999	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000655241190	430937285	/nfs/dbraw/zinc/93/72/85/430937285.db2.gz	ZKJAOPCMMKYZRK-SFHVURJKSA-N	0	3	313.445	2.563	20	30		DFEDHN
C=CCC1(NC(=O)Nc2ccc3c(c2)CNC3)CCOCC1	ZINC000659022981	430941764	/nfs/dbraw/zinc/94/17/64/430941764.db2.gz	RLHOWOSKJYNORZ-UHFFFAOYSA-N	0	3	301.390	2.537	20	30		DFEDHN
Cc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1C#N	ZINC000374138223	278789480	/nfs/dbraw/zinc/78/94/80/278789480.db2.gz	OLAUUEOAKWXVPD-GOSISDBHSA-N	0	3	319.408	3.000	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000662083308	430951953	/nfs/dbraw/zinc/95/19/53/430951953.db2.gz	CEYKFMVOHLZXKU-HLLBOEOZSA-N	0	3	312.413	2.984	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000662251349	431016594	/nfs/dbraw/zinc/01/65/94/431016594.db2.gz	ACBQYFQMNWQCMF-OAHLLOKOSA-N	0	3	304.438	2.742	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(CC)C[C@H]1C	ZINC000665727109	431016792	/nfs/dbraw/zinc/01/67/92/431016792.db2.gz	SDFRRDWFNSXKRN-KBAYOESNSA-N	0	3	315.461	2.813	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCN(C)C[C@@H]2CC)cc1	ZINC000646050246	431156648	/nfs/dbraw/zinc/15/66/48/431156648.db2.gz	LQHXKEZVEMIGSG-INIZCTEOSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCC[C@H](NC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1	ZINC000655922328	431221245	/nfs/dbraw/zinc/22/12/45/431221245.db2.gz	UDALVJFBKZTAHD-QWHCGFSZSA-N	0	3	315.339	2.883	20	30		DFEDHN
C[C@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(C#N)cc1	ZINC000370537576	279540745	/nfs/dbraw/zinc/54/07/45/279540745.db2.gz	FWDMHGWTOGRKBR-KSSFIOAISA-N	0	3	320.396	2.519	20	30		DFEDHN
C=C[C@@H](CC(=O)N(C)[C@@H](CN)C(F)(F)F)c1ccccc1	ZINC000662986297	431250633	/nfs/dbraw/zinc/25/06/33/431250633.db2.gz	LBEBLHTYQWBZMP-AAEUAGOBSA-N	0	3	300.324	2.694	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)[C@@H](CN)C(F)(F)F)c1ccccc1	ZINC000662986300	431251842	/nfs/dbraw/zinc/25/18/42/431251842.db2.gz	LBEBLHTYQWBZMP-YPMHNXCESA-N	0	3	300.324	2.694	20	30		DFEDHN
C=C(C)CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649752082	431275305	/nfs/dbraw/zinc/27/53/05/431275305.db2.gz	YNMWLJLVUOQJSL-RTBURBONSA-N	0	3	300.446	2.928	20	30		DFEDHN
COCCN1CCN(CC#Cc2ccc(Cl)cc2)C(C)(C)C1	ZINC000649850021	431330594	/nfs/dbraw/zinc/33/05/94/431330594.db2.gz	VNOHJWJXRABCOJ-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C[C@H](CCO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000649870229	431338779	/nfs/dbraw/zinc/33/87/79/431338779.db2.gz	XYGBHNHRGDCYHB-GFCCVEGCSA-N	0	3	301.308	2.639	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](C)COC	ZINC000663416800	431414966	/nfs/dbraw/zinc/41/49/66/431414966.db2.gz	RNCCRPUCJZACIL-WBVHZDCISA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CCN(CCOC)CC[C@H]1Sc2ccccc2NC1=O	ZINC000660402502	431416141	/nfs/dbraw/zinc/41/61/41/431416141.db2.gz	HWVKDKCKDLDTHB-OAHLLOKOSA-N	0	3	306.431	2.624	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CCCc2c(F)cccc2F)C1=O	ZINC000653657061	431479087	/nfs/dbraw/zinc/47/90/87/431479087.db2.gz	GDIQSLSXCREMFF-MRXNPFEDSA-N	0	3	308.372	2.616	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)CC1(O)CCSCC1	ZINC000656701223	431485312	/nfs/dbraw/zinc/48/53/12/431485312.db2.gz	RFNGJDNECVDPQF-UHFFFAOYSA-N	0	3	307.459	2.941	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@]2(C)CC2(F)F)CC1	ZINC000660597253	431508600	/nfs/dbraw/zinc/50/86/00/431508600.db2.gz	NNBRJBJGTINMRT-OAHLLOKOSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](OC)C2CCCCC2)CC1	ZINC000660704222	431557925	/nfs/dbraw/zinc/55/79/25/431557925.db2.gz	MBSGVHGTJNXVKL-KRWDZBQOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC)CC1	ZINC000660836606	431620388	/nfs/dbraw/zinc/62/03/88/431620388.db2.gz	CHUUDCITJFFKPO-NVXWUHKLSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1	ZINC000660840728	431624318	/nfs/dbraw/zinc/62/43/18/431624318.db2.gz	IWLQCSWMQQQVKM-XBVQOTNRSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000664045887	431638132	/nfs/dbraw/zinc/63/81/32/431638132.db2.gz	TXHJIVPCKCTWBU-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C)CCc2ccc(OC)cc2)nn1	ZINC000657334764	431684189	/nfs/dbraw/zinc/68/41/89/431684189.db2.gz	GSXBDJAZXQCNAD-OAHLLOKOSA-N	0	3	314.433	2.974	20	30		DFEDHN
C=CCCn1cc(CNC[C@H]2CCCCN2CCCC)nn1	ZINC000657348097	431693266	/nfs/dbraw/zinc/69/32/66/431693266.db2.gz	KJFMTRUFIMFYQQ-QGZVFWFLSA-N	0	3	305.470	2.598	20	30		DFEDHN
C=CCCn1cc(CNc2cc(CN(C)C)ccc2OC)nn1	ZINC000657407521	431731007	/nfs/dbraw/zinc/73/10/07/431731007.db2.gz	VFEYOGDONCUPEE-UHFFFAOYSA-N	0	3	315.421	2.537	20	30		DFEDHN
C=CCCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000664323957	431735241	/nfs/dbraw/zinc/73/52/41/431735241.db2.gz	RKTACWVJOZOTLQ-UHFFFAOYSA-N	0	3	316.449	2.835	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)nn1	ZINC000657438499	431752855	/nfs/dbraw/zinc/75/28/55/431752855.db2.gz	MPEXIGVORQDFCE-YJBOKZPZSA-N	0	3	313.449	2.635	20	30		DFEDHN
C=CCCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000661146328	431754314	/nfs/dbraw/zinc/75/43/14/431754314.db2.gz	JEVJVWQOGJNRGU-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1c(C(F)(F)F)cnn1C	ZINC000657454277	431758896	/nfs/dbraw/zinc/75/88/96/431758896.db2.gz	IJMKUUHZNDCICH-GXFFZTMASA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccc(OC)c1)[C@@H](C)COC	ZINC000661241549	431791828	/nfs/dbraw/zinc/79/18/28/431791828.db2.gz	AMXKQTXBTOCJAV-AWEZNQCLSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2cccc(OC)c2)C1	ZINC000661378563	431837700	/nfs/dbraw/zinc/83/77/00/431837700.db2.gz	JAZRGKKDBKHEHQ-JKSUJKDBSA-N	0	3	316.445	2.988	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000158644018	295365421	/nfs/dbraw/zinc/36/54/21/295365421.db2.gz	UDBBFGJDNVIJAK-NHYWBVRUSA-N	0	3	305.809	2.670	20	30		DFEDHN
N#Cc1ncn(CCN[C@H](Cc2ccccc2)c2ccccc2)n1	ZINC000507206634	300234105	/nfs/dbraw/zinc/23/41/05/300234105.db2.gz	BQWZPVUORZBXRE-GOSISDBHSA-N	0	3	317.396	2.723	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC2	ZINC000514975708	300282864	/nfs/dbraw/zinc/28/28/64/300282864.db2.gz	HAYWQJLEXZEGMA-WBVHZDCISA-N	0	3	321.428	2.865	20	30		DFEDHN
COC(=O)c1cccc(CNC2(CCO)CCCCC2)c1C#N	ZINC000535963476	301265719	/nfs/dbraw/zinc/26/57/19/301265719.db2.gz	JGQCPOISZJPPJM-UHFFFAOYSA-N	0	3	316.401	2.520	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000537587893	301304148	/nfs/dbraw/zinc/30/41/48/301304148.db2.gz	YCCRNDYYJCEVPN-AWEZNQCLSA-N	0	3	307.825	2.918	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)c(F)c1	ZINC000538507854	301322631	/nfs/dbraw/zinc/32/26/31/301322631.db2.gz	HWRRMIBFAGOBQL-ZWNOBZJWSA-N	0	3	315.314	2.985	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3C[C@H]3Cc3ccccc3)n2c1	ZINC000540601069	301366126	/nfs/dbraw/zinc/36/61/26/301366126.db2.gz	PVZUBNGRHXXIEC-AEFFLSMTSA-N	0	3	302.381	2.927	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)COc1ccccc1	ZINC000552970097	301700673	/nfs/dbraw/zinc/70/06/73/301700673.db2.gz	IGDXRMRQLVUXOU-FXAWDEMLSA-N	0	3	322.408	2.965	20	30		DFEDHN
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000553774507	301720583	/nfs/dbraw/zinc/72/05/83/301720583.db2.gz	KHPGFOSQXJQOKB-LRDDRELGSA-N	0	3	317.820	2.910	20	30		DFEDHN
Cc1cc(CN[C@H]2CCN(c3ncccc3F)C2)ccc1C#N	ZINC000559823445	301877148	/nfs/dbraw/zinc/87/71/48/301877148.db2.gz	WRNFPGJPVLBQRS-INIZCTEOSA-N	0	3	310.376	2.769	20	30		DFEDHN
CCC[C@H](C)[C@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000563219841	302051640	/nfs/dbraw/zinc/05/16/40/302051640.db2.gz	ZPFPRNGQQSJQNV-NHYWBVRUSA-N	0	3	323.824	2.537	20	30		DFEDHN
N#Cc1ccc(CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1	ZINC000564804162	302159912	/nfs/dbraw/zinc/15/99/12/302159912.db2.gz	TYEJVDJIMCYVTB-UHFFFAOYSA-N	0	3	311.345	2.569	20	30		DFEDHN
CC(C)[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1(CO)CCC1	ZINC000566303429	302277143	/nfs/dbraw/zinc/27/71/43/302277143.db2.gz	GWCXAVCOTCXXTQ-INIZCTEOSA-N	0	3	317.389	2.743	20	30		DFEDHN
CC1(C)CCCc2cc(C#N)c(N3C[C@H]4CCC[C@@H](C3)N4)nc21	ZINC000567717692	302383579	/nfs/dbraw/zinc/38/35/79/302383579.db2.gz	ZJMZEEOPARLKDU-IYBDPMFKSA-N	0	3	310.445	2.898	20	30		DFEDHN
C[C@H](CN1CCN(c2cnccc2C#N)CC1)c1ccccc1	ZINC000572553165	302669242	/nfs/dbraw/zinc/66/92/42/302669242.db2.gz	ASMUIRVSJVPFDF-MRXNPFEDSA-N	0	3	306.413	2.879	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1	ZINC000189078550	303193729	/nfs/dbraw/zinc/19/37/29/303193729.db2.gz	MZBOZHRJBGSSMZ-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(OCC#N)cc1	ZINC000280929867	332762870	/nfs/dbraw/zinc/76/28/70/332762870.db2.gz	FIGVALNALMNODL-ZSEKCTLFSA-N	0	3	306.431	2.541	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000507267378	317693230	/nfs/dbraw/zinc/69/32/30/317693230.db2.gz	LURMONRLXMCJPF-PKFCDNJMSA-N	0	3	323.849	2.880	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc1	ZINC000545588746	317843713	/nfs/dbraw/zinc/84/37/13/317843713.db2.gz	PWNSLGCBPCVYSD-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000573544813	318020913	/nfs/dbraw/zinc/02/09/13/318020913.db2.gz	UIMZFMLJTNRREO-FGTMMUONSA-N	0	3	311.429	2.651	20	30		DFEDHN
N#Cc1ncc(OCc2cccc(CN3CCCCC3)c2)cn1	ZINC000576366217	318122118	/nfs/dbraw/zinc/12/21/18/318122118.db2.gz	PXOYEKAKSBAHKC-UHFFFAOYSA-N	0	3	308.385	2.913	20	30		DFEDHN
CCN(CCNC(=O)NC(C)C)[C@H](C)c1ccc(C#N)cc1	ZINC000577103305	318171383	/nfs/dbraw/zinc/17/13/83/318171383.db2.gz	CEXGFYFPRCWPJB-CQSZACIVSA-N	0	3	302.422	2.649	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577117071	318172175	/nfs/dbraw/zinc/17/21/75/318172175.db2.gz	JAAYMNZYDJNPJP-BBRMVZONSA-N	0	3	314.389	2.525	20	30		DFEDHN
C[C@@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1ccccc1Cl	ZINC000577373891	318188886	/nfs/dbraw/zinc/18/88/86/318188886.db2.gz	WQVVKWBJLQYEQO-VXGBXAGGSA-N	0	3	315.808	2.801	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1	ZINC000578073707	318236081	/nfs/dbraw/zinc/23/60/81/318236081.db2.gz	YFEWFDQIBJPGGD-MRXNPFEDSA-N	0	3	315.373	2.857	20	30		DFEDHN
N#Cc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1	ZINC000578169590	318242736	/nfs/dbraw/zinc/24/27/36/318242736.db2.gz	WCLCYMDZTPBGGY-IAGOWNOFSA-N	0	3	320.820	2.621	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c(Cl)c1	ZINC000578169589	318242790	/nfs/dbraw/zinc/24/27/90/318242790.db2.gz	WCLCYMDZTPBGGY-DLBZAZTESA-N	0	3	320.820	2.621	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O	ZINC000578326696	318253469	/nfs/dbraw/zinc/25/34/69/318253469.db2.gz	BPWXPINPTZTXCQ-ROUUACIJSA-N	0	3	302.418	2.558	20	30		DFEDHN
CC1(C)CCCc2cc(C#N)c(N3CCNC[C@@](C)(F)C3)nc21	ZINC000578731561	318280863	/nfs/dbraw/zinc/28/08/63/318280863.db2.gz	GMCJBMIGCMDYPN-GOSISDBHSA-N	0	3	316.424	2.705	20	30		DFEDHN
COc1ccc([C@@H](CN2CCCC2)Nc2cc(C#N)ncn2)cc1	ZINC000579667637	318345688	/nfs/dbraw/zinc/34/56/88/318345688.db2.gz	AHIDTVHLSFDZMN-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN1C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1	ZINC000580066886	318372556	/nfs/dbraw/zinc/37/25/56/318372556.db2.gz	LYNAUOQKCBMMBG-SWLSCSKDSA-N	0	3	318.808	2.770	20	30		DFEDHN
Cn1c2ccc(CNCc3cccc(C#N)c3)cc2sc1=O	ZINC000192468493	323242309	/nfs/dbraw/zinc/24/23/09/323242309.db2.gz	NNZOHTDAKZYQFE-UHFFFAOYSA-N	0	3	309.394	2.761	20	30		DFEDHN
N#Cc1ccc(CN(C[C@H](O)COc2ccccc2)C2CC2)cc1	ZINC000194961365	323275276	/nfs/dbraw/zinc/27/52/76/323275276.db2.gz	ZSVYXRLWICFWIU-IBGZPJMESA-N	0	3	322.408	2.963	20	30		DFEDHN
N#Cc1csc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1	ZINC000580939647	323453915	/nfs/dbraw/zinc/45/39/15/323453915.db2.gz	LWAWUOUCCRCYHD-WBVHZDCISA-N	0	3	311.410	2.729	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3C[C@H](c4ccccc4)C3)cnc12	ZINC000583381789	323845218	/nfs/dbraw/zinc/84/52/18/323845218.db2.gz	DYTUAZYSMKPZMW-JCNLHEQBSA-N	0	3	303.369	2.637	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)C2CCN(CC)CC2)cc1	ZINC000448877751	332772375	/nfs/dbraw/zinc/77/23/75/332772375.db2.gz	JPCSBOOFHXTPLG-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CCCCNC(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000448380739	332803872	/nfs/dbraw/zinc/80/38/72/332803872.db2.gz	GTNGJYJUOUJSCT-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
C=CCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000448390980	332806061	/nfs/dbraw/zinc/80/60/61/332806061.db2.gz	VLBOEHSFUIKJTH-UHFFFAOYSA-N	0	3	305.422	2.852	20	30		DFEDHN
COc1ccc(CNC[C@@H]2CCCO2)cc1OCCCC#N	ZINC000064613441	331832718	/nfs/dbraw/zinc/83/27/18/331832718.db2.gz	HVYOLPRMBJITJR-HNNXBMFYSA-N	0	3	304.390	2.646	20	30		DFEDHN
COc1ccc(CN(C)CC[C@@H](C)O)cc1OCCCC#N	ZINC000093481808	332139490	/nfs/dbraw/zinc/13/94/90/332139490.db2.gz	LMQWAXVTBKYEPJ-CQSZACIVSA-N	0	3	306.406	2.580	20	30		DFEDHN
CC(C)Oc1cccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1	ZINC000112528225	332314075	/nfs/dbraw/zinc/31/40/75/332314075.db2.gz	FRMONRHASFOLHM-GJZGRUSLSA-N	0	3	317.433	2.885	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCc2ccccc2C1	ZINC000114488854	332327882	/nfs/dbraw/zinc/32/78/82/332327882.db2.gz	YVVDFZOJDYOBFW-MJGOQNOKSA-N	0	3	313.445	2.530	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCc2ccccc2C1	ZINC000114488852	332327896	/nfs/dbraw/zinc/32/78/96/332327896.db2.gz	YVVDFZOJDYOBFW-IEBWSBKVSA-N	0	3	313.445	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nsc3ccc(C)cc32)CC1	ZINC000293054395	335102239	/nfs/dbraw/zinc/10/22/39/335102239.db2.gz	KZBDTDZKRZCQGQ-UHFFFAOYSA-N	0	3	315.442	2.985	20	30		DFEDHN
C=CCC(F)(F)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000293231772	335102340	/nfs/dbraw/zinc/10/23/40/335102340.db2.gz	CHOIGEGVRYIMDR-ZDUSSCGKSA-N	0	3	323.387	2.935	20	30		DFEDHN
C=CCC(F)(F)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000293231766	335102462	/nfs/dbraw/zinc/10/24/62/335102462.db2.gz	CHOIGEGVRYIMDR-CYBMUJFWSA-N	0	3	323.387	2.935	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C)[C@H]2C)c(OC)c1	ZINC000293368922	335107601	/nfs/dbraw/zinc/10/76/01/335107601.db2.gz	IZKOOWJAXHWBNX-IIAWOOMASA-N	0	3	305.418	2.504	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](C)c1ccc2c(c1)CCCC2	ZINC000154348212	332431380	/nfs/dbraw/zinc/43/13/80/332431380.db2.gz	GPTVVTDERXOOTR-OAHLLOKOSA-N	0	3	313.445	2.978	20	30		DFEDHN
[O-]c1ccccc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1	ZINC000128475952	332498399	/nfs/dbraw/zinc/49/83/99/332498399.db2.gz	IEJLZWQBMDNEKH-KLHWEVKASA-N	0	3	302.418	2.579	20	30		DFEDHN
C[C@](C#N)(NC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1	ZINC000562096346	332546108	/nfs/dbraw/zinc/54/61/08/332546108.db2.gz	RBVGGKDBPVVJNB-SJLPKXTDSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCCCCNCc1c(C(C)C)nn(C)c1N1CCOCC1	ZINC000562303726	332571892	/nfs/dbraw/zinc/57/18/92/332571892.db2.gz	OYCMHFWYOTVZIM-UHFFFAOYSA-N	0	3	320.481	2.826	20	30		DFEDHN
C=CCCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000562344598	332582595	/nfs/dbraw/zinc/58/25/95/332582595.db2.gz	BWBUSGFRTYQXPX-UHFFFAOYSA-N	0	3	304.394	2.858	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1	ZINC000133917020	332594915	/nfs/dbraw/zinc/59/49/15/332594915.db2.gz	IFTDGUMZYXPTGZ-JQHSSLGASA-N	0	3	313.445	2.920	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccccc2)n1	ZINC000152748008	332705493	/nfs/dbraw/zinc/70/54/93/332705493.db2.gz	REKDAIQJINEEMN-KURKYZTESA-N	0	3	322.412	2.873	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(C)cc(OC)c(C)c2C)CC1	ZINC000491096225	332967500	/nfs/dbraw/zinc/96/75/00/332967500.db2.gz	QIYWNAOYPDFILZ-UHFFFAOYSA-N	0	3	314.429	2.904	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c(C)[nH]c2ccc(Cl)cc21	ZINC000293882602	335115414	/nfs/dbraw/zinc/11/54/14/335115414.db2.gz	CVRQSKSOJSIQDT-UHFFFAOYSA-N	0	3	317.820	2.815	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@H](O)CC2)ccc1OC	ZINC000293991893	335116426	/nfs/dbraw/zinc/11/64/26/335116426.db2.gz	LRUNSIFQOFNLND-INIZCTEOSA-N	0	3	305.418	2.997	20	30		DFEDHN
CC(C)(C#N)CCCN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000174849026	333091754	/nfs/dbraw/zinc/09/17/54/333091754.db2.gz	XISZFWHTVUSXQO-GOSISDBHSA-N	0	3	315.461	2.668	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1cccc(C)c1	ZINC000179587711	333152961	/nfs/dbraw/zinc/15/29/61/333152961.db2.gz	UXLRKTFGLHMJOB-HNNXBMFYSA-N	0	3	301.434	2.828	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000180148395	333158810	/nfs/dbraw/zinc/15/88/10/333158810.db2.gz	KVGXLXCVJNNEQZ-MOPGFXCFSA-N	0	3	319.408	2.928	20	30		DFEDHN
CC(C)(C)NC(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000180512412	333162721	/nfs/dbraw/zinc/16/27/21/333162721.db2.gz	QVJVQEZHOMJULY-SECBINFHSA-N	0	3	306.316	2.953	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181685887	333171417	/nfs/dbraw/zinc/17/14/17/333171417.db2.gz	ATSSRNOVCKGBPC-MSOLQXFVSA-N	0	3	323.440	2.941	20	30		DFEDHN
C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)C(=O)N(C)CCC#N	ZINC000181792744	333172242	/nfs/dbraw/zinc/17/22/42/333172242.db2.gz	SDLFROFJCOSSIB-GJZGRUSLSA-N	0	3	301.434	2.703	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1	ZINC000294757228	335127093	/nfs/dbraw/zinc/12/70/93/335127093.db2.gz	AVXZNWFXXGDCQM-QGZVFWFLSA-N	0	3	316.445	2.594	20	30		DFEDHN
CC[C@@H](CC#N)NCc1ccccc1N(C)C1CCN(C)CC1	ZINC000184088190	333191765	/nfs/dbraw/zinc/19/17/65/333191765.db2.gz	IJEVEVGVEYEHMV-KRWDZBQOSA-N	0	3	314.477	2.999	20	30		DFEDHN
CCCN(CCc1cccs1)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000184516438	333197811	/nfs/dbraw/zinc/19/78/11/333197811.db2.gz	ZSGHOHLKMUFBGW-QGZVFWFLSA-N	0	3	319.474	2.811	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000582074484	333201119	/nfs/dbraw/zinc/20/11/19/333201119.db2.gz	ASGRHNHRRKWDGH-MRXNPFEDSA-N	0	3	317.481	2.898	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1	ZINC000185824305	333214457	/nfs/dbraw/zinc/21/44/57/333214457.db2.gz	GYHSQWCEFMBDJU-KCQAQPDRSA-N	0	3	301.365	2.603	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000185872970	333215366	/nfs/dbraw/zinc/21/53/66/333215366.db2.gz	YALZEXRHFZYUGP-OFQRWUPVSA-N	0	3	315.392	2.993	20	30		DFEDHN
N#CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1	ZINC000187345844	333231235	/nfs/dbraw/zinc/23/12/35/333231235.db2.gz	PCQGJWUKHUABEQ-UHFFFAOYSA-N	0	3	311.429	2.947	20	30		DFEDHN
COc1ccc(CN(C)CC2(CO)CC2)cc1OCCCC#N	ZINC000188954588	333253449	/nfs/dbraw/zinc/25/34/49/333253449.db2.gz	SYUWEIDCPWFKBD-UHFFFAOYSA-N	0	3	318.417	2.582	20	30		DFEDHN
Cc1c(-c2cc(CN3CCC(CCC#N)CC3)on2)cnn1C	ZINC000563066765	333264620	/nfs/dbraw/zinc/26/46/20/333264620.db2.gz	AABPHHLOYCWNSN-UHFFFAOYSA-N	0	3	313.405	2.899	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1oc(CC)nc1C)C(C)C	ZINC000294905530	335130392	/nfs/dbraw/zinc/13/03/92/335130392.db2.gz	WEEXCXIPIZBAQE-HNNXBMFYSA-N	0	3	319.449	2.974	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1	ZINC000364198441	333271495	/nfs/dbraw/zinc/27/14/95/333271495.db2.gz	ZYYSABCOPLMJGS-IAGOWNOFSA-N	0	3	302.393	2.847	20	30		DFEDHN
C[C@@H](SCCN(C)Cc1ccccc1)C(=O)N(C)CCC#N	ZINC000193626775	333305097	/nfs/dbraw/zinc/30/50/97/333305097.db2.gz	QFGYQNLZOGGYCQ-OAHLLOKOSA-N	0	3	319.474	2.612	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000364427925	333313563	/nfs/dbraw/zinc/31/35/63/333313563.db2.gz	LIAVMBQVLUTXMA-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
CC(C)[C@@H](CCN(C)C(=O)C(C)C#N)NC(=O)OC(C)(C)C	ZINC000493074548	333331691	/nfs/dbraw/zinc/33/16/91/333331691.db2.gz	RBYIIPQSHDPLRC-CHWSQXEVSA-N	0	3	311.426	2.544	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000295287903	335134646	/nfs/dbraw/zinc/13/46/46/335134646.db2.gz	JANFUXUULQMKFT-AWEZNQCLSA-N	0	3	321.490	2.944	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@@H](Cn3ccnn3)C2)c1	ZINC000119231980	333343316	/nfs/dbraw/zinc/34/33/16/333343316.db2.gz	FQSMAWGZHNRSPS-MRXNPFEDSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1	ZINC000365185182	333356459	/nfs/dbraw/zinc/35/64/59/333356459.db2.gz	HUEBVEGSKZJHPN-LSDHHAIUSA-N	0	3	304.459	2.927	20	30		DFEDHN
C=CCOc1cccc(CN[C@]2(CO)C[C@H](OCC)C2(C)C)c1	ZINC000186595630	333375111	/nfs/dbraw/zinc/37/51/11/333375111.db2.gz	OSQXMOCEPWQROI-HKUYNNGSSA-N	0	3	319.445	2.907	20	30		DFEDHN
CC[C@@H](CO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000295834843	335139920	/nfs/dbraw/zinc/13/99/20/335139920.db2.gz	ZAQBDTVRMZMQFM-ZDUSSCGKSA-N	0	3	301.308	2.639	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(Cc3cccc(F)c3)CC2)C1=O	ZINC000337144792	333440090	/nfs/dbraw/zinc/44/00/90/333440090.db2.gz	WVJDAOOOBGVHNT-SFHVURJKSA-N	0	3	316.420	2.867	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)CC1	ZINC000337913014	333463788	/nfs/dbraw/zinc/46/37/88/333463788.db2.gz	QYEJDHCZCFFZRG-OAHLLOKOSA-N	0	3	305.470	2.756	20	30		DFEDHN
C=CC(C)(C)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000296858353	335146832	/nfs/dbraw/zinc/14/68/32/335146832.db2.gz	NMWWMNADOCEIAW-UHFFFAOYSA-N	0	3	302.378	2.536	20	30		DFEDHN
C#CCN(C(=O)Nc1ccc(C)cc1OCCN(C)C)C1CC1	ZINC000296892327	335149971	/nfs/dbraw/zinc/14/99/71/335149971.db2.gz	OGXWVILSCCAACK-UHFFFAOYSA-N	0	3	315.417	2.565	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1cccc(F)c1	ZINC000296943310	335150174	/nfs/dbraw/zinc/15/01/74/335150174.db2.gz	PSDYVLBNBDDKTA-QGZVFWFLSA-N	0	3	317.408	2.627	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000413814614	333874985	/nfs/dbraw/zinc/87/49/85/333874985.db2.gz	FPPYYSKOHZIMKV-IAGOWNOFSA-N	0	3	301.434	2.519	20	30		DFEDHN
N#CCCCCNCc1cc2c(cc1Br)OCO2	ZINC000264065966	333950772	/nfs/dbraw/zinc/95/07/72/333950772.db2.gz	QQAZSTFBLINBCP-UHFFFAOYSA-N	0	3	311.179	2.961	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccccc1	ZINC000270659287	334015326	/nfs/dbraw/zinc/01/53/26/334015326.db2.gz	OBZDZGVGSAHYLS-MOPGFXCFSA-N	0	3	319.408	2.928	20	30		DFEDHN
COc1ccc(CNC(C)(C)[C@@H](C)O)cc1OCCCC#N	ZINC000270726264	334015889	/nfs/dbraw/zinc/01/58/89/334015889.db2.gz	PRLFCROEPNGWQF-CYBMUJFWSA-N	0	3	306.406	2.627	20	30		DFEDHN
C=CCOc1ccccc1CN1CCSC[C@H](C(=O)OC)C1	ZINC000414565409	334022692	/nfs/dbraw/zinc/02/26/92/334022692.db2.gz	GPHPCRQNTLAPCS-OAHLLOKOSA-N	0	3	321.442	2.589	20	30		DFEDHN
C=CCOc1ccccc1CN1CCSC[C@@H](C(=O)OC)C1	ZINC000414565408	334022741	/nfs/dbraw/zinc/02/27/41/334022741.db2.gz	GPHPCRQNTLAPCS-HNNXBMFYSA-N	0	3	321.442	2.589	20	30		DFEDHN
C=C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000353407224	334031817	/nfs/dbraw/zinc/03/18/17/334031817.db2.gz	RLCZVADXSAIKPT-KBPBESRZSA-N	0	3	310.463	2.942	20	30		DFEDHN
CC1(C#N)CCN(CCCOc2ccc3c(c2)OCO3)CC1	ZINC000272504197	334035872	/nfs/dbraw/zinc/03/58/72/334035872.db2.gz	FATAEPFVEWRRJN-UHFFFAOYSA-N	0	3	302.374	2.810	20	30		DFEDHN
C[C@H](NCCCC#N)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000273191470	334044194	/nfs/dbraw/zinc/04/41/94/334044194.db2.gz	GXBFYDXDCOPNOG-JTQLQIEISA-N	0	3	302.346	2.637	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273622471	334048987	/nfs/dbraw/zinc/04/89/87/334048987.db2.gz	VXXAFRAAAQLREJ-RDJZCZTQSA-N	0	3	314.433	2.642	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)C1(C#N)CCC1)C1CC1	ZINC000274833731	334067043	/nfs/dbraw/zinc/06/70/43/334067043.db2.gz	AJUGIPPHFHLIKK-KRWDZBQOSA-N	0	3	311.429	2.707	20	30		DFEDHN
CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343532289	335175570	/nfs/dbraw/zinc/17/55/70/335175570.db2.gz	PLKLZNZTIXAJGA-SFHVURJKSA-N	0	3	313.445	2.881	20	30		DFEDHN
CCOCCOCCN(C)Cc1ccc(N(C)CCC#N)cc1	ZINC000276184082	334075124	/nfs/dbraw/zinc/07/51/24/334075124.db2.gz	LKQFQCGPFHXLRA-UHFFFAOYSA-N	0	3	319.449	2.521	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)CC(C)(C)C#N)C1CC1	ZINC000278808084	334101651	/nfs/dbraw/zinc/10/16/51/334101651.db2.gz	OFMFBOGFJFTDPN-QGZVFWFLSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC1(C)[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccncc3)C[C@@H]21	ZINC000279336514	334108097	/nfs/dbraw/zinc/10/80/97/334108097.db2.gz	DJKZDSHWUNLXHR-CALCHBBNSA-N	0	3	321.428	2.947	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000279993493	334113652	/nfs/dbraw/zinc/11/36/52/334113652.db2.gz	RQIFODAPEQSTNX-WMLDXEAASA-N	0	3	313.445	2.946	20	30		DFEDHN
Cc1cnc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280283573	334116030	/nfs/dbraw/zinc/11/60/30/334116030.db2.gz	ZAZCVBMESLYDLW-DOMZBBRYSA-N	0	3	324.409	2.883	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)[C@H](CC(N)=O)c1ccccc1	ZINC000280574113	334118361	/nfs/dbraw/zinc/11/83/61/334118361.db2.gz	SEUYJMVDUNRZBV-GOSISDBHSA-N	0	3	323.396	2.637	20	30		DFEDHN
COc1ccc(CN(C)CCCC2(C#N)CCOCC2)cc1O	ZINC000282118917	334131582	/nfs/dbraw/zinc/13/15/82/334131582.db2.gz	XPPAXYTVUAVBLS-UHFFFAOYSA-N	0	3	318.417	2.933	20	30		DFEDHN
CN(Cc1ccc(CC#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000343563517	335178068	/nfs/dbraw/zinc/17/80/68/335178068.db2.gz	ZNMWUBLCOVKCQP-HXUWFJFHSA-N	0	3	324.424	2.762	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)[C@](C)(C#N)CC)N(C)C)cc1	ZINC000284923186	334145077	/nfs/dbraw/zinc/14/50/77/334145077.db2.gz	IONZAWPNEAEOHV-AEFFLSMTSA-N	0	3	301.434	2.908	20	30		DFEDHN
CN(CCC#N)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285099194	334145501	/nfs/dbraw/zinc/14/55/01/334145501.db2.gz	LRTAYGCSCIIRMK-HNNXBMFYSA-N	0	3	321.371	2.516	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC(C)(C)[C@@H]1c1cccs1	ZINC000286662489	334153974	/nfs/dbraw/zinc/15/39/74/334153974.db2.gz	AUWRMXFTAQHBPW-HNNXBMFYSA-N	0	3	305.447	2.893	20	30		DFEDHN
CC(C)(CCC#N)CNCc1ccncc1OC[C@@H]1CCOC1	ZINC000288546045	334161079	/nfs/dbraw/zinc/16/10/79/334161079.db2.gz	XGZKBVSCVVFZDW-OAHLLOKOSA-N	0	3	317.433	2.916	20	30		DFEDHN
COC[C@]1(CN[C@H]2CCC[C@@H](C#N)C2)OCCc2ccccc21	ZINC000289745279	334167443	/nfs/dbraw/zinc/16/74/43/334167443.db2.gz	KVVXWJDBFHBFLF-AYBZRNKSSA-N	0	3	314.429	2.773	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(CC#N)cc2)C1	ZINC000289762298	334167622	/nfs/dbraw/zinc/16/76/22/334167622.db2.gz	LRVSPBGEMXIHQJ-KRWDZBQOSA-N	0	3	303.381	2.904	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1	ZINC000290375137	334172547	/nfs/dbraw/zinc/17/25/47/334172547.db2.gz	HEUYUABZGROMNP-INIZCTEOSA-N	0	3	317.433	2.742	20	30		DFEDHN
N#CCN(C(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCC1	ZINC000291943329	334183256	/nfs/dbraw/zinc/18/32/56/334183256.db2.gz	NNDREAKVTSQMOC-JKSUJKDBSA-N	0	3	312.369	2.586	20	30		DFEDHN
CC(C)[C@@]1(CO)CCCN(Cc2ccc(OCC#N)cc2)C1	ZINC000293218813	334196668	/nfs/dbraw/zinc/19/66/68/334196668.db2.gz	XVEOJBRAPORVCE-SFHVURJKSA-N	0	3	302.418	2.819	20	30		DFEDHN
N#CCCOCCN1CCN(Cc2cccc3ccccc32)CC1	ZINC000293588064	334199367	/nfs/dbraw/zinc/19/93/67/334199367.db2.gz	UGWQSQKDHLKKIP-UHFFFAOYSA-N	0	3	323.440	2.888	20	30		DFEDHN
COC1(CCN2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1	ZINC000293847829	334202778	/nfs/dbraw/zinc/20/27/78/334202778.db2.gz	RBPIJAKSHDSOJA-SFHVURJKSA-N	0	3	313.445	2.828	20	30		DFEDHN
CCS(=O)(=O)C[C@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340443307	334202788	/nfs/dbraw/zinc/20/27/88/334202788.db2.gz	GEYNJTFQTXVUQY-GOEBONIOSA-N	0	3	308.447	2.834	20	30		DFEDHN
CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)[C@H](O)C(F)F	ZINC000294981890	334215321	/nfs/dbraw/zinc/21/53/21/334215321.db2.gz	GQDSJIQXPCWFQY-CABCVRRESA-N	0	3	311.376	2.531	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCc2ccc3cncn3c2)cc1	ZINC000297437351	334241516	/nfs/dbraw/zinc/24/15/16/334241516.db2.gz	GAOBSKVRYOMWLU-UHFFFAOYSA-N	0	3	319.412	2.974	20	30		DFEDHN
C=CCCCN(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000121038823	334341093	/nfs/dbraw/zinc/34/10/93/334341093.db2.gz	CUTQJTRNLUMMLN-KRWDZBQOSA-N	0	3	315.461	2.527	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000121158077	334341269	/nfs/dbraw/zinc/34/12/69/334341269.db2.gz	NFYZQBCVDLCGFO-HOCLYGCPSA-N	0	3	302.418	2.913	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(Cc3nccn3C)CC2)cc1	ZINC000121787215	334367468	/nfs/dbraw/zinc/36/74/68/334367468.db2.gz	GDSILHJLICJRBK-UHFFFAOYSA-N	0	3	323.440	2.887	20	30		DFEDHN
C=CCN(CCSC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000340825918	334388208	/nfs/dbraw/zinc/38/82/08/334388208.db2.gz	YFUOUGJRWNMVDC-ZDUSSCGKSA-N	0	3	303.435	2.574	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)CC1	ZINC000415960516	334631833	/nfs/dbraw/zinc/63/18/33/334631833.db2.gz	PUJAXAUFDYSQDJ-UHFFFAOYSA-N	0	3	303.381	2.901	20	30		DFEDHN
N#CCCCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415970371	334640214	/nfs/dbraw/zinc/64/02/14/334640214.db2.gz	LFSJBBCUCXRLLP-UHFFFAOYSA-N	0	3	314.311	2.979	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2nccn2-c2ccccc2)CC1	ZINC000328751775	334751789	/nfs/dbraw/zinc/75/17/89/334751789.db2.gz	RDUUMWWZBZQBSF-UHFFFAOYSA-N	0	3	313.405	2.683	20	30		DFEDHN
CC1CCN(C[C@@H](O)CNC(=O)c2sccc2Cl)CC1	ZINC000330619566	334797638	/nfs/dbraw/zinc/79/76/38/334797638.db2.gz	ZHSRBXQKPWQQFO-NSHDSACASA-N	0	3	316.854	2.799	20	30		DFEDHN
CC1CCN([C@H](CNC(=O)NCCC#N)c2cccs2)CC1	ZINC000331147873	334840196	/nfs/dbraw/zinc/84/01/96/334840196.db2.gz	MSDXOHLPRIJPTM-CQSZACIVSA-N	0	3	320.462	2.938	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1N(C)C	ZINC000343631897	335183168	/nfs/dbraw/zinc/18/31/68/335183168.db2.gz	BREMBRCYSIAWDF-HZPDHXFCSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000343718836	335186418	/nfs/dbraw/zinc/18/64/18/335186418.db2.gz	FKFAMPLCUNADLG-GDBMZVCRSA-N	0	3	320.433	2.529	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000343751779	335190418	/nfs/dbraw/zinc/19/04/18/335190418.db2.gz	RXUMSOUEROTGMH-IAGOWNOFSA-N	0	3	308.466	2.692	20	30		DFEDHN
O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]12	ZINC000344062190	335214344	/nfs/dbraw/zinc/21/43/44/335214344.db2.gz	MTPKHLVSYDINAL-VNQPRFMTSA-N	0	3	309.331	2.760	20	30		DFEDHN
CCN(CCC#N)C(=O)CN(C)C1CCC(C(F)(F)F)CC1	ZINC000344128835	335220008	/nfs/dbraw/zinc/22/00/08/335220008.db2.gz	LKRAIKVYDTXPLA-UHFFFAOYSA-N	0	3	319.371	2.801	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000344237653	335231008	/nfs/dbraw/zinc/23/10/08/335231008.db2.gz	XFNWDLLDPGRAQO-UHFFFAOYSA-N	0	3	321.509	2.606	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C(C)C)C(F)(F)F)CC1	ZINC000344400097	335246038	/nfs/dbraw/zinc/24/60/38/335246038.db2.gz	RGLIPOBENBYYNA-ZDUSSCGKSA-N	0	3	321.387	2.913	20	30		DFEDHN
C#CCOc1ccc(CNCc2cccnc2-n2ccnc2)cc1	ZINC000113320470	335324699	/nfs/dbraw/zinc/32/46/99/335324699.db2.gz	BDOYXIGMFAMKFS-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000345373059	335325733	/nfs/dbraw/zinc/32/57/33/335325733.db2.gz	BESVURQDSHFGMF-HOCLYGCPSA-N	0	3	317.433	2.533	20	30		DFEDHN
C[C@H]1CCCN(C(=O)C2CCN(CCC(C)(C)C#N)CC2)C1	ZINC000345720731	335345676	/nfs/dbraw/zinc/34/56/76/335345676.db2.gz	ZVZQLEXDTFBMOM-HNNXBMFYSA-N	0	3	305.466	2.897	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000345741813	335347238	/nfs/dbraw/zinc/34/72/38/335347238.db2.gz	INLBLQNONCBLBB-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2[C@@H](c3ccccc3)C2(F)F)CC1	ZINC000345920453	335365542	/nfs/dbraw/zinc/36/55/42/335365542.db2.gz	CKHVHJBIUGNTPC-HZPDHXFCSA-N	0	3	320.383	2.802	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@H](CC)N(CC)CC)cc1	ZINC000346007449	335369290	/nfs/dbraw/zinc/36/92/90/335369290.db2.gz	AXKHCDSLRZRWNW-INIZCTEOSA-N	0	3	317.433	2.661	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000346015508	335369923	/nfs/dbraw/zinc/36/99/23/335369923.db2.gz	LRAODEKAFRQSHL-FOIPXRHGSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000346267701	335396123	/nfs/dbraw/zinc/39/61/23/335396123.db2.gz	OYWORZHMRHLOBS-KZNAEPCWSA-N	0	3	322.493	2.938	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000346536156	335419442	/nfs/dbraw/zinc/41/94/42/335419442.db2.gz	WHQIMJOZFYDELN-MELADBBJSA-N	0	3	309.479	2.591	20	30		DFEDHN
C=CCCCCCN[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C	ZINC000346701067	335431672	/nfs/dbraw/zinc/43/16/72/335431672.db2.gz	ANDIZIIEMZAHMX-YJBOKZPZSA-N	0	3	316.449	2.561	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(C)=O)cc2F)CC1	ZINC000347582076	335509289	/nfs/dbraw/zinc/50/92/89/335509289.db2.gz	BUUCAMPWEMKWJV-UHFFFAOYSA-N	0	3	318.392	2.799	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000348479474	335589225	/nfs/dbraw/zinc/58/92/25/335589225.db2.gz	OOTABQDLCTXXCA-HLPPOEQASA-N	0	3	311.495	2.693	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@]1(CO)C[C@H](C)CC(C)(C)C1	ZINC000348485346	335590252	/nfs/dbraw/zinc/59/02/52/335590252.db2.gz	QQYWIWCOQZHNNB-QAPCUYQASA-N	0	3	310.482	2.578	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@H](O)CC2CCCC2)CC1	ZINC000367068539	335626033	/nfs/dbraw/zinc/62/60/33/335626033.db2.gz	XTNMEOKNQOHOGY-QGZVFWFLSA-N	0	3	313.445	2.880	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1	ZINC000104697483	335674956	/nfs/dbraw/zinc/67/49/56/335674956.db2.gz	QSUKGXBVSGBDFE-XJKSGUPXSA-N	0	3	315.417	2.518	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1C)C(C)C	ZINC000108462778	335838960	/nfs/dbraw/zinc/83/89/60/335838960.db2.gz	PBFRSUAFHDROBS-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
Cc1ccc2nccc(N3CC[C@@H](NC(=O)NC4CC4)C3)c2c1	ZINC000329438353	335976220	/nfs/dbraw/zinc/97/62/20/335976220.db2.gz	APWPDBAEKBISLF-CQSZACIVSA-N	0	3	310.401	2.788	20	30		DFEDHN
C=CC[C@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C	ZINC000351571994	336046082	/nfs/dbraw/zinc/04/60/82/336046082.db2.gz	BQTAMOGRLOUVRJ-OAHLLOKOSA-N	0	3	305.809	2.861	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(OC)c1	ZINC000351591379	336047881	/nfs/dbraw/zinc/04/78/81/336047881.db2.gz	DLWKYQXFISBRMW-LBPRGKRZSA-N	0	3	319.323	2.663	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C2	ZINC000329789465	336082012	/nfs/dbraw/zinc/08/20/12/336082012.db2.gz	SLHAENRFZHIMIK-FMKPAKJESA-N	0	3	318.465	2.831	20	30		DFEDHN
Cc1noc(C2CC2)c1NC(=O)NC[C@]1(N(C)C)CCSC1	ZINC000329821747	336086381	/nfs/dbraw/zinc/08/63/81/336086381.db2.gz	YTMHSHAQPWZRKL-OAHLLOKOSA-N	0	3	324.450	2.624	20	30		DFEDHN
O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H]1CCC(=O)c2cccn21	ZINC000329879402	336091751	/nfs/dbraw/zinc/09/17/51/336091751.db2.gz	MEQKYWWCGHHDLH-VNHYZAJKSA-N	0	3	301.390	2.589	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)c1nnn(CC2CCCC2)c1C	ZINC000329886827	336092330	/nfs/dbraw/zinc/09/23/30/336092330.db2.gz	WQTRTLFRAHMTOQ-OAHLLOKOSA-N	0	3	319.453	2.566	20	30		DFEDHN
Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000329916529	336095027	/nfs/dbraw/zinc/09/50/27/336095027.db2.gz	DUCLZYPTCINWCJ-CZUORRHYSA-N	0	3	315.417	2.559	20	30		DFEDHN
C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C1=CCN(C)CC1	ZINC000329915432	336095116	/nfs/dbraw/zinc/09/51/16/336095116.db2.gz	YJWTXFATCOXQOU-SWLSCSKDSA-N	0	3	301.390	2.613	20	30		DFEDHN
C[C@H]([NH+]=C([O-])NC[C@H]1CCc2nccn2C1)C1CCCCC1	ZINC000329924642	336095959	/nfs/dbraw/zinc/09/59/59/336095959.db2.gz	VBJWAEHCGPABFY-UONOGXRCSA-N	0	3	304.438	2.918	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C1CCC2(CC2)CC1	ZINC000329959232	336100061	/nfs/dbraw/zinc/10/00/61/336100061.db2.gz	QNBBPQFRAGFLIO-ZDUSSCGKSA-N	0	3	302.422	2.672	20	30		DFEDHN
CCn1nccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000329966002	336100806	/nfs/dbraw/zinc/10/08/06/336100806.db2.gz	VISCKNCJCNIZMC-GDBMZVCRSA-N	0	3	313.405	2.674	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2	ZINC000329966301	336100859	/nfs/dbraw/zinc/10/08/59/336100859.db2.gz	RRYGAPSQCLTOED-OAGGEKHMSA-N	0	3	324.465	2.792	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)Cn1cc2ccccc2n1	ZINC000330078461	336111646	/nfs/dbraw/zinc/11/16/46/336111646.db2.gz	NRVMSCRBGIJNMD-OAHLLOKOSA-N	0	3	300.406	2.867	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC3(CCCCC3)O2)CCN1C	ZINC000330110119	336114371	/nfs/dbraw/zinc/11/43/71/336114371.db2.gz	QEFHOZNYXMMZCJ-BZUAXINKSA-N	0	3	323.481	2.855	20	30		DFEDHN
CC(C(=O)NC1(C)CCCCC1)S(=O)(=O)C1CCOCC1	ZINC000330160780	336119377	/nfs/dbraw/zinc/11/93/77/336119377.db2.gz	RIIUJRGRKYQQGA-GFCCVEGCSA-N	0	3	317.451	2.648	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@H]1CCCN(C(C)C)C1)C2	ZINC000330173002	336120598	/nfs/dbraw/zinc/12/05/98/336120598.db2.gz	HAONLTMONBTTEK-GJZGRUSLSA-N	0	3	304.438	2.583	20	30		DFEDHN
C[C@@H]1OCC[C@@]1(C)NCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000330271429	336131903	/nfs/dbraw/zinc/13/19/03/336131903.db2.gz	VXXHMNPDEKQNDX-LMOYCYGVSA-N	0	3	311.426	2.593	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCC[C@@H](C#N)C2)cn1	ZINC000331858140	336150770	/nfs/dbraw/zinc/15/07/70/336150770.db2.gz	AVZBCGCDLPBXHY-BSWAZPDLSA-N	0	3	302.422	2.795	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1	ZINC000331870035	336151059	/nfs/dbraw/zinc/15/10/59/336151059.db2.gz	UNLIERKUMBUOGR-AIANPOQGSA-N	0	3	302.422	2.966	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(C(=O)NCc3ccccc3)CC2)C1	ZINC000331958816	336154255	/nfs/dbraw/zinc/15/42/55/336154255.db2.gz	PZKLNRKFONCGFB-SJLPKXTDSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1CCCCCC1	ZINC000331983710	336154966	/nfs/dbraw/zinc/15/49/66/336154966.db2.gz	LNNZMOBIVMGXKE-CZUORRHYSA-N	0	3	303.381	2.771	20	30		DFEDHN
C=C(C)CCN1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000352024749	336190094	/nfs/dbraw/zinc/19/00/94/336190094.db2.gz	IQKXDRLNNSATIY-UHFFFAOYSA-N	0	3	304.409	2.869	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333520914	336205082	/nfs/dbraw/zinc/20/50/82/336205082.db2.gz	GYQKCJYDHDFWEG-MAUKXSAKSA-N	0	3	303.450	2.841	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(C3CCCCC3)C2=O)C1	ZINC000333723490	336208827	/nfs/dbraw/zinc/20/88/27/336208827.db2.gz	OICCVRDRRKECML-INMHGKMJSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=C[C@H]1CCCCN1CCc1c(C)nc2sccn2c1=O	ZINC000352421117	336217545	/nfs/dbraw/zinc/21/75/45/336217545.db2.gz	KAXUCDRLRPYKTN-ZDUSSCGKSA-N	0	3	303.431	2.647	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1	ZINC000352570778	336225066	/nfs/dbraw/zinc/22/50/66/336225066.db2.gz	MHWKRWYGLHAZJG-OAHLLOKOSA-N	0	3	302.418	2.713	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@H]1O	ZINC000352657680	336229274	/nfs/dbraw/zinc/22/92/74/336229274.db2.gz	BTAKKNCCBSYZRC-LSDHHAIUSA-N	0	3	313.319	2.782	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000352687046	336230454	/nfs/dbraw/zinc/23/04/54/336230454.db2.gz	TVUNILURSODDPG-GJZGRUSLSA-N	0	3	312.335	2.745	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000352687047	336230492	/nfs/dbraw/zinc/23/04/92/336230492.db2.gz	TVUNILURSODDPG-HUUCEWRRSA-N	0	3	312.335	2.745	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC(C)(C)CCC#N	ZINC000352969668	336380194	/nfs/dbraw/zinc/38/01/94/336380194.db2.gz	SUMFLAQHYMKQGV-HUUCEWRRSA-N	0	3	308.470	2.878	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1	ZINC000563934604	336386106	/nfs/dbraw/zinc/38/61/06/336386106.db2.gz	XQFCSGPQFMIORP-SFHVURJKSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2csc(CC)n2)CC1	ZINC000107747679	336392800	/nfs/dbraw/zinc/39/28/00/336392800.db2.gz	XOXLEQLXAQRCDG-UHFFFAOYSA-N	0	3	322.478	2.545	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc2n[nH]cc2c1	ZINC000353175926	336405568	/nfs/dbraw/zinc/40/55/68/336405568.db2.gz	STHBTUMSMIOUQO-ZDUSSCGKSA-N	0	3	300.406	2.638	20	30		DFEDHN
C=C(C)COCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000354332607	336467086	/nfs/dbraw/zinc/46/70/86/336467086.db2.gz	AQMXZDDSFCDECH-DOTOQJQBSA-N	0	3	319.449	2.570	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1	ZINC000355778296	336521878	/nfs/dbraw/zinc/52/18/78/336521878.db2.gz	DEZWNTDMXHIQBH-UHFFFAOYSA-N	0	3	314.433	2.583	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@H]1c1ccccc1	ZINC000355896353	336527140	/nfs/dbraw/zinc/52/71/40/336527140.db2.gz	YDKPXKYHQUGHJH-MJGOQNOKSA-N	0	3	323.440	2.627	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000356262602	336543242	/nfs/dbraw/zinc/54/32/42/336543242.db2.gz	YCBFNEYUVKDWLB-OWLYRPNTSA-N	0	3	316.445	2.775	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000356262604	336543258	/nfs/dbraw/zinc/54/32/58/336543258.db2.gz	YCBFNEYUVKDWLB-UBDQQSCGSA-N	0	3	316.445	2.775	20	30		DFEDHN
C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000357278839	336579069	/nfs/dbraw/zinc/57/90/69/336579069.db2.gz	FBHKSORLQCHNPF-RDJZCZTQSA-N	0	3	319.449	2.522	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H](C)C#N)N(C)C	ZINC000357304892	336580069	/nfs/dbraw/zinc/58/00/69/336580069.db2.gz	KIBAXOQDTXCLBQ-QRTARXTBSA-N	0	3	316.449	2.787	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000358711115	336640063	/nfs/dbraw/zinc/64/00/63/336640063.db2.gz	QFEGVTLKDIAHOU-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(Cc2ccco2)C(C)C)CC1	ZINC000358831959	336644296	/nfs/dbraw/zinc/64/42/96/336644296.db2.gz	RJPHGRQSVHVPFE-UHFFFAOYSA-N	0	3	305.422	2.850	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@]2(OC)CCOC2)cc1Cl	ZINC000359643252	336681509	/nfs/dbraw/zinc/68/15/09/336681509.db2.gz	XFRYHLZCLMOEJQ-INIZCTEOSA-N	0	3	311.809	2.800	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000361282957	336748525	/nfs/dbraw/zinc/74/85/25/336748525.db2.gz	UNDIGRKLMVDXIV-HNNXBMFYSA-N	0	3	307.463	2.844	20	30		DFEDHN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)[C@@H](C)C1	ZINC000362429095	336796742	/nfs/dbraw/zinc/79/67/42/336796742.db2.gz	FZCJKSLHXQQUHV-BFKWJSRZSA-N	0	3	305.466	2.894	20	30		DFEDHN
C=C[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000362615851	336806421	/nfs/dbraw/zinc/80/64/21/336806421.db2.gz	UDPPGZIQKYFXPG-HNNXBMFYSA-N	0	3	301.434	2.521	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2CCCc3sccc32)CC1	ZINC000372109384	336922293	/nfs/dbraw/zinc/92/22/93/336922293.db2.gz	ZHVLVSQWWAZRAT-MRXNPFEDSA-N	0	3	316.470	2.772	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1	ZINC000375020225	337001606	/nfs/dbraw/zinc/00/16/06/337001606.db2.gz	MMZJUFJIKDHJFX-RHSMWYFYSA-N	0	3	315.417	2.809	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21	ZINC000375143018	337004435	/nfs/dbraw/zinc/00/44/35/337004435.db2.gz	USOQDUWQGWMCLT-HUUCEWRRSA-N	0	3	302.418	2.945	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375417217	337010816	/nfs/dbraw/zinc/01/08/16/337010816.db2.gz	UPPROFMLTARVNK-MRXNPFEDSA-N	0	3	323.396	2.949	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000376520160	337035826	/nfs/dbraw/zinc/03/58/26/337035826.db2.gz	WPAYWKQEGKUCPR-WMLDXEAASA-N	0	3	322.474	2.840	20	30		DFEDHN
CC1CCC(O)(CN2CCC(C#N)(c3ccccn3)CC2)CC1	ZINC000376738238	337040194	/nfs/dbraw/zinc/04/01/94/337040194.db2.gz	DDVHEPATGOXTNZ-UHFFFAOYSA-N	0	3	313.445	2.880	20	30		DFEDHN
C=CCCC(=O)N(C)C1CCN(CCc2ccncc2)CC1	ZINC000377515399	337054100	/nfs/dbraw/zinc/05/41/00/337054100.db2.gz	NFOLHCJZADQSOL-UHFFFAOYSA-N	0	3	301.434	2.513	20	30		DFEDHN
C=CCN(C(=O)C[C@@H](C)OC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377572671	337055486	/nfs/dbraw/zinc/05/54/86/337055486.db2.gz	KSWFGBDUKLMANF-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
C#Cc1ccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1	ZINC000377632559	337057025	/nfs/dbraw/zinc/05/70/25/337057025.db2.gz	SXJDXRHWQOXFEK-SJORKVTESA-N	0	3	323.396	2.938	20	30		DFEDHN
C#Cc1ccc(CN2CCCN(c3ncccc3C#N)CC2)cc1	ZINC000377694597	337058687	/nfs/dbraw/zinc/05/86/87/337058687.db2.gz	DRJZXRAATZAIDP-UHFFFAOYSA-N	0	3	316.408	2.647	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCC#N	ZINC000377700151	337059052	/nfs/dbraw/zinc/05/90/52/337059052.db2.gz	JSADDJNKJAPBHI-SJORKVTESA-N	0	3	314.433	2.597	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2cccs2)C[C@H]1C	ZINC000377805100	337061744	/nfs/dbraw/zinc/06/17/44/337061744.db2.gz	PQDLNMUWVVWKBR-RDBSUJKOSA-N	0	3	305.447	2.686	20	30		DFEDHN
CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(CC#N)c2)C1	ZINC000378318222	337069888	/nfs/dbraw/zinc/06/98/88/337069888.db2.gz	YYSOVRDGGLFYNW-RBUKOAKNSA-N	0	3	319.408	2.580	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2ccncn2)C1	ZINC000378336781	337070158	/nfs/dbraw/zinc/07/01/58/337070158.db2.gz	XFMMILQORKSYEK-INIZCTEOSA-N	0	3	307.397	2.868	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1	ZINC000360056931	337084595	/nfs/dbraw/zinc/08/45/95/337084595.db2.gz	ITAFDEQQDSHHJK-YOEHRIQHSA-N	0	3	316.401	2.753	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCCC2)C1	ZINC000171442121	337087237	/nfs/dbraw/zinc/08/72/37/337087237.db2.gz	RYXFWRMFCUXVRX-HNNXBMFYSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1	ZINC000171694782	337088303	/nfs/dbraw/zinc/08/83/03/337088303.db2.gz	UTLXVVMRTQZJFP-LBPRGKRZSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccccc2Cl)CC1	ZINC000171726898	337088889	/nfs/dbraw/zinc/08/88/89/337088889.db2.gz	BKHJMEGBURPZCV-UHFFFAOYSA-N	0	3	321.852	2.832	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1	ZINC000172068336	337089514	/nfs/dbraw/zinc/08/95/14/337089514.db2.gz	ZOWWPBOOKBHHMB-PMACEKPBSA-N	0	3	307.393	2.837	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1	ZINC000174637755	337142936	/nfs/dbraw/zinc/14/29/36/337142936.db2.gz	XBFPWDRZQUPZTF-JKSUJKDBSA-N	0	3	300.402	2.560	20	30		DFEDHN
C#CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000175598868	337148266	/nfs/dbraw/zinc/14/82/66/337148266.db2.gz	PUJSLNWCZGNJKU-WMZOPIPTSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2CC)cc1	ZINC000176988298	337153960	/nfs/dbraw/zinc/15/39/60/337153960.db2.gz	VUKIWLGFAUPKIC-INIZCTEOSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN(C)CC(=C)C)c(OC)c1	ZINC000181312369	337181162	/nfs/dbraw/zinc/18/11/62/337181162.db2.gz	JRYRKIAYIPSFMY-MRXNPFEDSA-N	0	3	305.418	2.671	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN[C@@H](C)c1cccnc1	ZINC000181633207	337183614	/nfs/dbraw/zinc/18/36/14/337183614.db2.gz	LZANRLLEWQTWLM-YJBOKZPZSA-N	0	3	312.413	2.901	20	30		DFEDHN
C#CCCCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000184625713	337199510	/nfs/dbraw/zinc/19/95/10/337199510.db2.gz	OGHFTFOQFHFUAM-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
N#CC(C(=O)c1cc(=O)[nH]c(C2CC2)c1)c1nc2ccccc2[nH]1	ZINC000187467960	337266130	/nfs/dbraw/zinc/26/61/30/337266130.db2.gz	UAIZQQIXTIRILD-LBPRGKRZSA-N	0	3	318.336	2.619	20	30		DFEDHN
CC1(C)[C@H](O)C[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000189329323	337278662	/nfs/dbraw/zinc/27/86/62/337278662.db2.gz	SGTUBZXNCJERBP-IAGOWNOFSA-N	0	3	324.428	2.713	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)c1cccc(CC#N)c1	ZINC000583270472	337297612	/nfs/dbraw/zinc/29/76/12/337297612.db2.gz	FYROPADHOLZEKR-GOSISDBHSA-N	0	3	307.397	2.745	20	30		DFEDHN
N#CCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1	ZINC000193363120	337310268	/nfs/dbraw/zinc/31/02/68/337310268.db2.gz	NGRREXBWZPOBDL-UHFFFAOYSA-N	0	3	321.808	3.000	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1	ZINC000583715056	337317608	/nfs/dbraw/zinc/31/76/08/337317608.db2.gz	RDBDPWQNQGZGKL-NLWGTHIKSA-N	0	3	324.424	2.929	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cccc(-n3cccn3)c2C#N)CN1C1CC1	ZINC000584421242	337323918	/nfs/dbraw/zinc/32/39/18/337323918.db2.gz	IQHGJHIOKKSYCM-KBPBESRZSA-N	0	3	307.401	2.781	20	30		DFEDHN
C=CCCCCN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1	ZINC000583793545	337333754	/nfs/dbraw/zinc/33/37/54/337333754.db2.gz	QXVNQKRCGAFKMP-INIZCTEOSA-N	0	3	314.495	2.669	20	30		DFEDHN
CC[C@@H](CC(F)(F)F)NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000584586743	337369677	/nfs/dbraw/zinc/36/96/77/337369677.db2.gz	VRBZHEDBAOORIW-QWHCGFSZSA-N	0	3	316.323	2.619	20	30		DFEDHN
CC(C)(C#N)C(=O)NCC1CCN(Cc2ccccc2F)CC1	ZINC000107267561	337387425	/nfs/dbraw/zinc/38/74/25/337387425.db2.gz	YFOZIOXQSMUGGT-UHFFFAOYSA-N	0	3	317.408	2.704	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](N2CCCCC2)C1	ZINC000108377588	337387914	/nfs/dbraw/zinc/38/79/14/337387914.db2.gz	MWOKPZJQZCTIBN-ROUUACIJSA-N	0	3	321.509	2.750	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CNCCC1(F)F	ZINC000418754073	337395461	/nfs/dbraw/zinc/39/54/61/337395461.db2.gz	WFXCNDRCKBABJU-CQSZACIVSA-N	0	3	315.408	2.762	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000038146049	337395975	/nfs/dbraw/zinc/39/59/75/337395975.db2.gz	SCFIBXYDOUNGHB-CYBMUJFWSA-N	0	3	320.308	2.972	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1	ZINC000248884307	337568240	/nfs/dbraw/zinc/56/82/40/337568240.db2.gz	LPEYOKIQMRWYKH-DJIMGWMZSA-N	0	3	315.392	2.599	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Br	ZINC000424069644	337731079	/nfs/dbraw/zinc/73/10/79/337731079.db2.gz	VYXYBVHGQXUXLP-GXFFZTMASA-N	0	3	324.222	2.647	20	30		DFEDHN
CC(C)(C)c1ccc(OCCNC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424069588	337731088	/nfs/dbraw/zinc/73/10/88/337731088.db2.gz	VIMDOCXYHNVLJF-INIZCTEOSA-N	0	3	317.433	2.500	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1C(F)(F)F	ZINC000424098141	337734099	/nfs/dbraw/zinc/73/40/99/337734099.db2.gz	CDPKQTHTTBPCKH-GXFFZTMASA-N	0	3	313.323	2.904	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc2cc(F)c(F)cc2s1	ZINC000424112449	337740057	/nfs/dbraw/zinc/74/00/57/337740057.db2.gz	JWPZMTMBOAXGJU-VIFPVBQESA-N	0	3	310.329	2.534	20	30		DFEDHN
CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424123714	337748423	/nfs/dbraw/zinc/74/84/23/337748423.db2.gz	MZRNOXWSJQDMSO-LSDHHAIUSA-N	0	3	309.360	2.799	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN(CCCCC#N)CC2)o1	ZINC000527577338	337751519	/nfs/dbraw/zinc/75/15/19/337751519.db2.gz	VYFROQNQLAZGQD-UHFFFAOYSA-N	0	3	303.406	2.785	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)o1	ZINC000527577662	337751563	/nfs/dbraw/zinc/75/15/63/337751563.db2.gz	KZALTMIIWDNEFQ-ZBFHGGJFSA-N	0	3	315.417	2.783	20	30		DFEDHN
C=CCc1cc(CN[C@@]23C[C@@H]2COC3(C)C)cc(OC)c1O	ZINC000527766882	337762230	/nfs/dbraw/zinc/76/22/30/337762230.db2.gz	QSSOBSLSUTYRGO-KDOFPFPSSA-N	0	3	303.402	2.786	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	ZINC000424164884	337788685	/nfs/dbraw/zinc/78/86/85/337788685.db2.gz	AJZJXDSDVKWDNN-MHORFTMASA-N	0	3	311.429	2.802	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)cc(CN)c1	ZINC000424426081	337832608	/nfs/dbraw/zinc/83/26/08/337832608.db2.gz	LDFUBZYXLDITNP-ZBFHGGJFSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(F)cc1Cl	ZINC000515774918	337997751	/nfs/dbraw/zinc/99/77/51/337997751.db2.gz	IELYLXZFTDLXIC-KGLIPLIRSA-N	0	3	312.772	2.741	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425854255	338017857	/nfs/dbraw/zinc/01/78/57/338017857.db2.gz	XIZUXOVSKRHVEY-DLBZAZTESA-N	0	3	320.481	2.832	20	30		DFEDHN
CCC[C@]1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426137590	338020951	/nfs/dbraw/zinc/02/09/51/338020951.db2.gz	FXXSIGZWWCYJIY-HKUYNNGSSA-N	0	3	314.429	2.770	20	30		DFEDHN
COc1ccc(CN2CCC[C@H]2CCO)cc1OCCCC#N	ZINC000428487601	338054817	/nfs/dbraw/zinc/05/48/17/338054817.db2.gz	QXDYZARESABZOA-INIZCTEOSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000428541580	338055717	/nfs/dbraw/zinc/05/57/17/338055717.db2.gz	FELRSHCOWYBDBB-RHSMWYFYSA-N	0	3	302.418	2.794	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428786182	338061092	/nfs/dbraw/zinc/06/10/92/338061092.db2.gz	VYMQVVPOQZJXFV-GOSISDBHSA-N	0	3	318.380	2.673	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2c[nH]c(C(F)(F)F)c2)nc(C)n1	ZINC000429674385	338086928	/nfs/dbraw/zinc/08/69/28/338086928.db2.gz	CYBSFHPBGAFLQI-SNVBAGLBSA-N	0	3	308.263	2.930	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2c[nH]c(C(F)(F)F)c2)nc(C)n1	ZINC000429674382	338087024	/nfs/dbraw/zinc/08/70/24/338087024.db2.gz	CYBSFHPBGAFLQI-JTQLQIEISA-N	0	3	308.263	2.930	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2ccsc2)no1	ZINC000429724282	338088414	/nfs/dbraw/zinc/08/84/14/338088414.db2.gz	OXNTWHHVSRDQIT-UHFFFAOYSA-N	0	3	306.435	2.738	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC1)C(C)C	ZINC000430179797	338099943	/nfs/dbraw/zinc/09/99/43/338099943.db2.gz	PJFNPSPBGYWPJF-BBWFWOEESA-N	0	3	305.466	2.783	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC1)C(C)C	ZINC000430179798	338099992	/nfs/dbraw/zinc/09/99/92/338099992.db2.gz	PJFNPSPBGYWPJF-GVDBMIGSSA-N	0	3	305.466	2.783	20	30		DFEDHN
C=CCC[C@H](O)CN(CCc1ccccn1)Cc1cccnc1	ZINC000430331909	338105174	/nfs/dbraw/zinc/10/51/74/338105174.db2.gz	MMCRJTBAWUVJRJ-IBGZPJMESA-N	0	3	311.429	2.848	20	30		DFEDHN
CCN1CCC(NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000430765529	338114312	/nfs/dbraw/zinc/11/43/12/338114312.db2.gz	RUGYLQKQTRVOTK-UHFFFAOYSA-N	0	3	303.431	2.516	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000431293942	338127489	/nfs/dbraw/zinc/12/74/89/338127489.db2.gz	GRUFJDVRRURKMV-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
COC[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H]1CCCO1	ZINC000433208469	338185851	/nfs/dbraw/zinc/18/58/51/338185851.db2.gz	NMLPSAUDNHRRSL-MSOLQXFVSA-N	0	3	318.417	2.653	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000433294759	338189766	/nfs/dbraw/zinc/18/97/66/338189766.db2.gz	ATDKKCMAJKOOOP-QZTJIDSGSA-N	0	3	315.461	2.851	20	30		DFEDHN
Cn1cc([C@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433341949	338193406	/nfs/dbraw/zinc/19/34/06/338193406.db2.gz	HSDUEFVXHIOCRM-FUHWJXTLSA-N	0	3	322.412	2.856	20	30		DFEDHN
CC(C)(C)[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433365320	338193950	/nfs/dbraw/zinc/19/39/50/338193950.db2.gz	PEYGSOOVSMXYIR-HZPDHXFCSA-N	0	3	302.418	2.672	20	30		DFEDHN
C[C@H](O)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433371734	338194086	/nfs/dbraw/zinc/19/40/86/338194086.db2.gz	FHXPOINVQHQGMQ-GOEBONIOSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnc([C@@H](C)CC)nc2)CC1	ZINC000434524873	338219385	/nfs/dbraw/zinc/21/93/85/338219385.db2.gz	CIJUVBDVVRGTKH-ZDUSSCGKSA-N	0	3	317.437	2.762	20	30		DFEDHN
CC(C#N)C(=O)NCCc1cc(Cl)ccc1Br	ZINC000435965551	338254538	/nfs/dbraw/zinc/25/45/38/338254538.db2.gz	NKWCCRQHKJAKQD-MRVPVSSYSA-N	0	3	315.598	2.921	20	30		DFEDHN
C=CCOc1ccc(CN[C@]2(CO)C[C@@H](OCC)C2(C)C)cc1	ZINC000436394833	338270650	/nfs/dbraw/zinc/27/06/50/338270650.db2.gz	URRKSPFDUJLLED-MJGOQNOKSA-N	0	3	319.445	2.907	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1CN(C)C	ZINC000436724612	338284374	/nfs/dbraw/zinc/28/43/74/338284374.db2.gz	ORSVVUKEQMEPBK-RDJZCZTQSA-N	0	3	316.445	2.877	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21	ZINC000438627382	338350355	/nfs/dbraw/zinc/35/03/55/338350355.db2.gz	USGAHGVGBLECKB-BXKDBHETSA-N	0	3	323.190	2.891	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCN1C	ZINC000438857798	338354052	/nfs/dbraw/zinc/35/40/52/338354052.db2.gz	NGSRCLMNARLLIV-DJIMGWMZSA-N	0	3	314.433	2.813	20	30		DFEDHN
CCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000439140188	338362280	/nfs/dbraw/zinc/36/22/80/338362280.db2.gz	ZYIZBWOLTWPJKW-MRXNPFEDSA-N	0	3	317.408	2.800	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000439625968	338374936	/nfs/dbraw/zinc/37/49/36/338374936.db2.gz	PATBQIKZEBSXMU-JONQDZQNSA-N	0	3	308.466	2.593	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000448646119	338399763	/nfs/dbraw/zinc/39/97/63/338399763.db2.gz	AIHMFQPQAJFYQU-KURKYZTESA-N	0	3	314.429	2.531	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)N[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000442634428	338426411	/nfs/dbraw/zinc/42/64/11/338426411.db2.gz	GXIFXQKKBNELQV-QRQLOZEOSA-N	0	3	313.445	2.650	20	30		DFEDHN
C=C(CC)CN[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442790428	338431561	/nfs/dbraw/zinc/43/15/61/338431561.db2.gz	IVSNGVXVUABUME-CABCVRRESA-N	0	3	324.465	2.509	20	30		DFEDHN
CC(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)Nc1nccs1	ZINC000442829904	338433778	/nfs/dbraw/zinc/43/37/78/338433778.db2.gz	QNGYXRNPMMOZGU-AGIUHOORSA-N	0	3	306.435	2.778	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1OC	ZINC000449517229	338633872	/nfs/dbraw/zinc/63/38/72/338633872.db2.gz	DZJAQKQIHOIVDB-OLZOCXBDSA-N	0	3	312.207	2.891	20	30		DFEDHN
CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)[C@@H]1n1cccn1	ZINC000449657224	338644737	/nfs/dbraw/zinc/64/47/37/338644737.db2.gz	ODHIZUNOFADQTG-LJIZCISZSA-N	0	3	302.422	2.662	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCO[C@H]1C=C	ZINC000451606716	338740268	/nfs/dbraw/zinc/74/02/68/338740268.db2.gz	NPFXLELCVZLAEE-BMFZPTHFSA-N	0	3	320.458	2.584	20	30		DFEDHN
CC1(C)COC[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000451816418	338744873	/nfs/dbraw/zinc/74/48/73/338744873.db2.gz	ZEAOETAXDTVRFY-AWEZNQCLSA-N	0	3	313.319	2.951	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453364271	338832142	/nfs/dbraw/zinc/83/21/42/338832142.db2.gz	RDVWZPQPVSQEHO-OCCSQVGLSA-N	0	3	308.378	2.971	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453424143	338841172	/nfs/dbraw/zinc/84/11/72/338841172.db2.gz	HRULRHTWEMECIP-GJZGRUSLSA-N	0	3	305.470	2.898	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456695300	338937316	/nfs/dbraw/zinc/93/73/16/338937316.db2.gz	OPFYLAUVCHLUJJ-KDOFPFPSSA-N	0	3	305.466	2.895	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCC(C)CC1	ZINC000457497805	338966541	/nfs/dbraw/zinc/96/65/41/338966541.db2.gz	HMSGYGIVCLUIIE-GVDBMIGSSA-N	0	3	308.466	2.594	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)C#N	ZINC000458614357	339001801	/nfs/dbraw/zinc/00/18/01/339001801.db2.gz	HLBQSLAQSHLHMZ-HNNXBMFYSA-N	0	3	316.449	2.698	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)NCC(C)(C)CC#N)c1ccco1	ZINC000458769608	339005019	/nfs/dbraw/zinc/00/50/19/339005019.db2.gz	NCKTWUZLKYLDBE-KBPBESRZSA-N	0	3	320.437	2.948	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000458781791	339005295	/nfs/dbraw/zinc/00/52/95/339005295.db2.gz	TYYCCEBPICYLFZ-DOTOQJQBSA-N	0	3	301.434	2.651	20	30		DFEDHN
CN(C)CCN(C)C(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000458799978	339005677	/nfs/dbraw/zinc/00/56/77/339005677.db2.gz	KTLCTNFHEZCUBL-MRXNPFEDSA-N	0	3	302.422	2.625	20	30		DFEDHN
C=C(C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000458994391	339010521	/nfs/dbraw/zinc/01/05/21/339010521.db2.gz	FYCTYWLPXDBRKR-IRXDYDNUSA-N	0	3	316.449	2.682	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000459009565	339011032	/nfs/dbraw/zinc/01/10/32/339011032.db2.gz	MSKCRFCFESSNEZ-HOTGVXAUSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCCC1	ZINC000459044462	339011996	/nfs/dbraw/zinc/01/19/96/339011996.db2.gz	CWHMAPNUJDHFSB-JKSUJKDBSA-N	0	3	305.466	2.859	20	30		DFEDHN
COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000459285967	339019305	/nfs/dbraw/zinc/01/93/05/339019305.db2.gz	HHFQNKZMKUWSOH-OAHLLOKOSA-N	0	3	323.352	2.679	20	30		DFEDHN
COC(=O)c1cc(C)cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000459285967	339019306	/nfs/dbraw/zinc/01/93/06/339019306.db2.gz	HHFQNKZMKUWSOH-OAHLLOKOSA-N	0	3	323.352	2.679	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1Cc2sccc2CC1(C)C	ZINC000459588200	339037533	/nfs/dbraw/zinc/03/75/33/339037533.db2.gz	WDAYWSLWRKMTQZ-UHFFFAOYSA-N	0	3	305.447	2.647	20	30		DFEDHN
CC(C)N1CCc2nc(CNCC(C)(C)CC#N)sc2C1	ZINC000459659891	339041077	/nfs/dbraw/zinc/04/10/77/339041077.db2.gz	ADIPQJSBJPWNAN-UHFFFAOYSA-N	0	3	306.479	2.939	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000460022395	339051863	/nfs/dbraw/zinc/05/18/63/339051863.db2.gz	KZDFDXDVOPACSO-NUJGCVRESA-N	0	3	312.413	2.589	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000464748577	339150997	/nfs/dbraw/zinc/15/09/97/339150997.db2.gz	AKKTVMNFPCAOJT-QGZVFWFLSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](C)C1)C(C)C	ZINC000465546161	339179343	/nfs/dbraw/zinc/17/93/43/339179343.db2.gz	QRMHSISKHBQRGJ-BRWVUGGUSA-N	0	3	307.482	2.982	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C	ZINC000472325996	339369922	/nfs/dbraw/zinc/36/99/22/339369922.db2.gz	ZHIRRZQZZPSSMM-AEFFLSMTSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCCN1CCCC	ZINC000473169401	339383309	/nfs/dbraw/zinc/38/33/09/339383309.db2.gz	JKWAJZRTCQYTGR-AEFFLSMTSA-N	0	3	310.482	2.986	20	30		DFEDHN
C=CCCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1	ZINC000489513661	339811410	/nfs/dbraw/zinc/81/14/10/339811410.db2.gz	LMJWOCJOTUUOLN-UHFFFAOYSA-N	0	3	314.495	2.669	20	30		DFEDHN
C#C[C@@H](CC)NCc1cc(OC)c(OCC(F)F)c(OC)c1	ZINC000491275871	339855930	/nfs/dbraw/zinc/85/59/30/339855930.db2.gz	GFUCNXFNSVRNDD-LBPRGKRZSA-N	0	3	313.344	2.849	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)CC1	ZINC000491654596	339871314	/nfs/dbraw/zinc/87/13/14/339871314.db2.gz	GEUCPLKMXCBVIB-OALUTQOASA-N	0	3	324.468	2.888	20	30		DFEDHN
C#C[C@H](NC1CCN(CCOC)CC1)c1ccc(Cl)cc1	ZINC000491697492	339874674	/nfs/dbraw/zinc/87/46/74/339874674.db2.gz	AAGNYTOUZRGMMQ-KRWDZBQOSA-N	0	3	306.837	2.715	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000491752381	339878864	/nfs/dbraw/zinc/87/88/64/339878864.db2.gz	WIJYVKJYMDMKTO-DOTOQJQBSA-N	0	3	301.434	2.651	20	30		DFEDHN
C[C@H](NCC1(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000495173342	339977769	/nfs/dbraw/zinc/97/77/69/339977769.db2.gz	KZYAYOJZVCUITH-UONOGXRCSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=C(Br)CN[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000495538611	339986956	/nfs/dbraw/zinc/98/69/56/339986956.db2.gz	DCFOPICTJAXMJX-NWDGAFQWSA-N	0	3	319.243	2.742	20	30		DFEDHN
C#CC[C@H](CC(F)(F)F)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000495884910	339994036	/nfs/dbraw/zinc/99/40/36/339994036.db2.gz	JWJKDWVZUYYTCU-NEPJUHHUSA-N	0	3	320.355	2.930	20	30		DFEDHN
C=CCC[C@H](O)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496655174	340009871	/nfs/dbraw/zinc/00/98/71/340009871.db2.gz	NMQBPGIJDWPXQQ-YOEHRIQHSA-N	0	3	318.417	2.963	20	30		DFEDHN
CCCC1(C=Nn2cnnc2)CCN(C(=O)OC(C)(C)C)CC1	ZINC000496703140	340010924	/nfs/dbraw/zinc/01/09/24/340010924.db2.gz	RVCGMIMHRUAZME-UHFFFAOYSA-N	0	3	321.425	2.929	20	30		DFEDHN
C=CCOCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496959704	340017029	/nfs/dbraw/zinc/01/70/29/340017029.db2.gz	WCACWZLAWPMLHY-CQSZACIVSA-N	0	3	304.390	2.839	20	30		DFEDHN
C=CCCCCN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000497003694	340017988	/nfs/dbraw/zinc/01/79/88/340017988.db2.gz	NKUVWOZSWNSFCQ-HNNXBMFYSA-N	0	3	312.454	2.958	20	30		DFEDHN
C=C(C)CN(CC)Cc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000501254121	340077273	/nfs/dbraw/zinc/07/72/73/340077273.db2.gz	PUBOGUMNUDLLMF-UHFFFAOYSA-N	0	3	305.374	2.658	20	30		DFEDHN
C=CCn1c(N2CCN(C3CCCC3)CC2)nnc1C(C)(C)C	ZINC000508733945	340252034	/nfs/dbraw/zinc/25/20/34/340252034.db2.gz	PBGFNXONQMFKIQ-UHFFFAOYSA-N	0	3	317.481	2.826	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(F)F)C(C)C	ZINC000509800192	340279557	/nfs/dbraw/zinc/27/95/57/340279557.db2.gz	XNDMKZDRZBZHIB-CYBMUJFWSA-N	0	3	303.397	2.592	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C(C)C	ZINC000512326153	340357220	/nfs/dbraw/zinc/35/72/20/340357220.db2.gz	NNSBSUCZGRSDKB-IHRRRGAJSA-N	0	3	300.393	2.702	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)C(C)C	ZINC000512326155	340357293	/nfs/dbraw/zinc/35/72/93/340357293.db2.gz	NNSBSUCZGRSDKB-MELADBBJSA-N	0	3	300.393	2.702	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc([C@@H](C)CCC)[nH]n2)CC1	ZINC000173328840	340362680	/nfs/dbraw/zinc/36/26/80/340362680.db2.gz	BIODGWRFKLUNMO-ZDUSSCGKSA-N	0	3	302.422	2.597	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1	ZINC000174317976	340385911	/nfs/dbraw/zinc/38/59/11/340385911.db2.gz	IBXVSONIWVZPSO-CYBMUJFWSA-N	0	3	320.383	2.530	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncncc1Cl)C(C)C	ZINC000176488833	340427779	/nfs/dbraw/zinc/42/77/79/340427779.db2.gz	UQQIGTVSOQJMLU-CQSZACIVSA-N	0	3	322.840	2.558	20	30		DFEDHN
N#CCCCN1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000528715681	340730390	/nfs/dbraw/zinc/73/03/90/340730390.db2.gz	OIUGZVYNQCJOFV-UHFFFAOYSA-N	0	3	318.421	2.522	20	30		DFEDHN
C[C@H](NC1(C2CC2)CC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000541592878	340976675	/nfs/dbraw/zinc/97/66/75/340976675.db2.gz	GLSYPLDPVKVYGR-ZDUSSCGKSA-N	0	3	315.392	2.993	20	30		DFEDHN
N#CCC1CCN(CCCOc2ccc3c(c2)OCO3)CC1	ZINC000542883156	341025191	/nfs/dbraw/zinc/02/51/91/341025191.db2.gz	MAGRZPBCXOZAIU-UHFFFAOYSA-N	0	3	302.374	2.810	20	30		DFEDHN
CN(CCCSCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005708	341159745	/nfs/dbraw/zinc/15/97/45/341159745.db2.gz	XPSQBWFUXNSVNR-ZDUSSCGKSA-N	0	3	313.467	2.574	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)C(C)(C)C1	ZINC000134270775	341211624	/nfs/dbraw/zinc/21/16/24/341211624.db2.gz	RHKWEPCMUWQBOJ-QGZVFWFLSA-N	0	3	313.445	2.874	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC(C2CC2)C2CC2)cc1	ZINC000547770684	341231614	/nfs/dbraw/zinc/23/16/14/341231614.db2.gz	HQEPOVSHIDZKFQ-KRWDZBQOSA-N	0	3	307.397	2.793	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000548114328	341247723	/nfs/dbraw/zinc/24/77/23/341247723.db2.gz	JPORJCVMBKAVRM-CYBMUJFWSA-N	0	3	304.394	2.571	20	30		DFEDHN
N#CCSc1cccc(C(=O)NCCN2CCCCCC2)c1	ZINC000079528950	341260680	/nfs/dbraw/zinc/26/06/80/341260680.db2.gz	AXTCRIIQQMYGNK-UHFFFAOYSA-N	0	3	317.458	2.908	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000079542978	341261031	/nfs/dbraw/zinc/26/10/31/341261031.db2.gz	VHDVTKXPXWSVPM-OAHLLOKOSA-N	0	3	317.458	2.906	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000549691512	341300634	/nfs/dbraw/zinc/30/06/34/341300634.db2.gz	IHAHTVWXJLHBCG-INIZCTEOSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccs1)c1nnc[n-]1	ZINC000550797093	341323229	/nfs/dbraw/zinc/32/32/29/341323229.db2.gz	KYDJNPPMKQFOOE-BNOWGMLFSA-N	0	3	304.419	2.526	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1cccs1)c1nnc[nH]1	ZINC000550797093	341323230	/nfs/dbraw/zinc/32/32/30/341323230.db2.gz	KYDJNPPMKQFOOE-BNOWGMLFSA-N	0	3	304.419	2.526	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246574355	341353848	/nfs/dbraw/zinc/35/38/48/341353848.db2.gz	LOZZMTWZVFPGMT-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
CCS[C@@H]1CCCC[C@H]1NCC(=O)N(CC)C[C@@H](C)C#N	ZINC000249521534	341398797	/nfs/dbraw/zinc/39/87/97/341398797.db2.gz	VSLSLWGPFKFVRH-RRFJBIMHSA-N	0	3	311.495	2.648	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc1OC)C[C@@H](C)O2	ZINC000556161725	341495963	/nfs/dbraw/zinc/49/59/63/341495963.db2.gz	DEXJLLCCOGQLRM-WQVCFCJDSA-N	0	3	303.402	2.842	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(C)C	ZINC000567428935	341603992	/nfs/dbraw/zinc/60/39/92/341603992.db2.gz	YODBICDWYAKSCY-RKVPGOIHSA-N	0	3	323.481	2.614	20	30		DFEDHN
CC(C)(CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCCC1	ZINC000568023393	341646321	/nfs/dbraw/zinc/64/63/21/341646321.db2.gz	UGRFIUSGRNXLTR-GOSISDBHSA-N	0	3	303.450	2.841	20	30		DFEDHN
CC1(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1	ZINC000597203685	500642044	/nfs/dbraw/zinc/64/20/44/500642044.db2.gz	VNGQYBRQRQZKSL-UHFFFAOYSA-N	0	3	321.428	2.870	20	30		DFEDHN
COc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1C#N	ZINC000292694256	533813180	/nfs/dbraw/zinc/81/31/80/533813180.db2.gz	BREUXKLOTCOCPP-KRWDZBQOSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@H](CCN1CCN(C)CC1)Nc1ccc2cc(C#N)ccc2n1	ZINC000302288618	533917232	/nfs/dbraw/zinc/91/72/32/533917232.db2.gz	WGUHHUUGVUMHIX-OAHLLOKOSA-N	0	3	323.444	2.544	20	30		DFEDHN
C[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN(C2CC2)C1	ZINC000296724941	533958246	/nfs/dbraw/zinc/95/82/46/533958246.db2.gz	NJHUIQIQEPEUMW-HNNXBMFYSA-N	0	3	308.429	2.727	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCN(C2CCCCC2)CC1	ZINC000358686283	517397193	/nfs/dbraw/zinc/39/71/93/517397193.db2.gz	MVZGSFIXXZMPPS-UHFFFAOYSA-N	0	3	320.481	2.976	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000363825571	523476541	/nfs/dbraw/zinc/47/65/41/523476541.db2.gz	VIBAHCJYOBEKOW-GUDVDZBRSA-N	0	3	313.445	2.540	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000364777682	526074216	/nfs/dbraw/zinc/07/42/16/526074216.db2.gz	KEXNDFVOOBTREM-MDASCCDHSA-N	0	3	324.428	2.941	20	30		DFEDHN
CC(C)OCCN1CCC(Nc2c(C#N)cccc2C#N)CC1	ZINC000302438241	527955027	/nfs/dbraw/zinc/95/50/27/527955027.db2.gz	MOUIPCUXMMTAJF-UHFFFAOYSA-N	0	3	312.417	2.731	20	30		DFEDHN
CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)c(C)c2)C1(C)C	ZINC000332496888	527974900	/nfs/dbraw/zinc/97/49/00/527974900.db2.gz	YMRYCRSQOSOTCL-SJLPKXTDSA-N	0	3	302.418	2.522	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000357525506	535868583	/nfs/dbraw/zinc/86/85/83/535868583.db2.gz	JCHVKQRWTNGXJC-UHFFFAOYSA-N	0	3	314.345	2.628	20	30		DFEDHN
COC1(CN2CCN(c3cccc(F)c3C#N)CC2)CCCC1	ZINC000361564988	536627397	/nfs/dbraw/zinc/62/73/97/536627397.db2.gz	NXIVIRFKNZOQDJ-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CO)[C@H](C)c1ccccc1	ZINC000680987786	545576449	/nfs/dbraw/zinc/57/64/49/545576449.db2.gz	BHWQQUJJUDHEKK-RYRKJORJSA-N	0	3	318.461	2.554	20	30		DFEDHN
COCC#CCN(CCCOc1ccccc1)C1CCOCC1	ZINC000680987698	545576642	/nfs/dbraw/zinc/57/66/42/545576642.db2.gz	VTIYGEFYQNOINB-UHFFFAOYSA-N	0	3	317.429	2.586	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1cccc(Cl)c1	ZINC000681451741	545642146	/nfs/dbraw/zinc/64/21/46/545642146.db2.gz	DDTPXCMMKNPUJD-FUHWJXTLSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000682385685	545836285	/nfs/dbraw/zinc/83/62/85/545836285.db2.gz	QFKMPFCJAPPQEG-MAUKXSAKSA-N	0	3	304.434	2.695	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccc(F)cc32)CC1	ZINC000684433853	546217989	/nfs/dbraw/zinc/21/79/89/546217989.db2.gz	BKJBXTANMUYSJG-QGZVFWFLSA-N	0	3	302.393	2.622	20	30		DFEDHN
C=CCOCCNC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000685050299	546324774	/nfs/dbraw/zinc/32/47/74/546324774.db2.gz	VTOKAQKUOZPTIZ-UHFFFAOYSA-N	0	3	323.481	2.535	20	30		DFEDHN
C=CCC[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734297	606746515	/nfs/dbraw/zinc/74/65/15/606746515.db2.gz	LEUPZEKNQAHAQG-BBRMVZONSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734297	606746516	/nfs/dbraw/zinc/74/65/16/606746516.db2.gz	LEUPZEKNQAHAQG-BBRMVZONSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734297	606746517	/nfs/dbraw/zinc/74/65/17/606746517.db2.gz	LEUPZEKNQAHAQG-BBRMVZONSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734297	606746518	/nfs/dbraw/zinc/74/65/18/606746518.db2.gz	LEUPZEKNQAHAQG-BBRMVZONSA-N	0	3	315.421	2.577	20	30		DFEDHN
C#CC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1	ZINC000819701662	606965106	/nfs/dbraw/zinc/96/51/06/606965106.db2.gz	KSLGQKWVUGHFFB-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1	ZINC000819701662	606965107	/nfs/dbraw/zinc/96/51/07/606965107.db2.gz	KSLGQKWVUGHFFB-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)C1CC1	ZINC000823894343	608283658	/nfs/dbraw/zinc/28/36/58/608283658.db2.gz	NQXKPJMZBKGQRK-HNNXBMFYSA-N	0	3	301.369	2.840	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1	ZINC000823894343	608283660	/nfs/dbraw/zinc/28/36/60/608283660.db2.gz	NQXKPJMZBKGQRK-HNNXBMFYSA-N	0	3	301.369	2.840	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCCSC3)C2=O)cc1	ZINC000272864328	210257988	/nfs/dbraw/zinc/25/79/88/210257988.db2.gz	NMSALYVYNZVUED-GOEBONIOSA-N	0	3	315.442	2.539	20	30		DFEDHN
N#Cc1ccc(CNC2(CO)CCCC2)c(Br)c1	ZINC000305806026	231062059	/nfs/dbraw/zinc/06/20/59/231062059.db2.gz	JYMRTYDTSKNBRS-UHFFFAOYSA-N	0	3	309.207	2.715	20	30		DFEDHN
N#Cc1cnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)cn1	ZINC000309831582	231105118	/nfs/dbraw/zinc/10/51/18/231105118.db2.gz	SJIZFBZRMNQBSH-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)CCN1CCOC(C)(C)C1	ZINC000278725907	214358218	/nfs/dbraw/zinc/35/82/18/214358218.db2.gz	AJRGUCZQPOFIRX-OAHLLOKOSA-N	0	3	301.434	2.662	20	30		DFEDHN
CN(CC1CCCC1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000083185757	185217299	/nfs/dbraw/zinc/21/72/99/185217299.db2.gz	MGKROXMETCWFMK-AWEZNQCLSA-N	0	3	303.431	2.847	20	30		DFEDHN
CC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081542983	398357540	/nfs/dbraw/zinc/35/75/40/398357540.db2.gz	DBIYUNKXVUXJOP-ZWKOTPCHSA-N	0	3	311.429	2.510	20	30		DFEDHN
CN(C(=O)C1CCN(Cc2ccccc2)CC1)C1(C#N)CCC1	ZINC000065893536	398349952	/nfs/dbraw/zinc/34/99/52/398349952.db2.gz	VOOXVUNILOLJFI-UHFFFAOYSA-N	0	3	311.429	2.803	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccn(C)c1)C(C)C	ZINC000081478412	398351997	/nfs/dbraw/zinc/35/19/97/398351997.db2.gz	CEROVVCCRFQPQO-KRWDZBQOSA-N	0	3	318.465	2.523	20	30		DFEDHN
CN(C)CCN(c1nc2ncccc2cc1C#N)C1CCCC1	ZINC000596227612	398362648	/nfs/dbraw/zinc/36/26/48/398362648.db2.gz	QGZPMKQZODUKDT-UHFFFAOYSA-N	0	3	309.417	2.812	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000578809857	398375643	/nfs/dbraw/zinc/37/56/43/398375643.db2.gz	JYZCKKXIOPRIFL-UONOGXRCSA-N	0	3	303.324	2.656	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(OC)c2F)CC1	ZINC000090554070	185302842	/nfs/dbraw/zinc/30/28/42/185302842.db2.gz	HJTRYNVOTCLQQA-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596332955	398388456	/nfs/dbraw/zinc/38/84/56/398388456.db2.gz	SYQCRAOSKUHVCE-BZUAXINKSA-N	0	3	306.454	2.632	20	30		DFEDHN
Cc1ccccc1C1(NC[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000592137229	398390330	/nfs/dbraw/zinc/39/03/30/398390330.db2.gz	HIVSUOMWBKPHEB-KRWDZBQOSA-N	0	3	322.408	2.885	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2cccc(F)c2)CCC1	ZINC000592144331	398391744	/nfs/dbraw/zinc/39/17/44/398391744.db2.gz	FHTRKDRBHDVRRY-UHFFFAOYSA-N	0	3	303.381	2.557	20	30		DFEDHN
N#CC[C@@]1(O)CCN(CCCc2ccc(C(F)(F)F)cc2)C1	ZINC000592152401	398392608	/nfs/dbraw/zinc/39/26/08/398392608.db2.gz	XBJYTYHKDMYHQO-OAHLLOKOSA-N	0	3	312.335	2.988	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC2(C[C@H]1C)CCOCC2	ZINC000592184698	398398781	/nfs/dbraw/zinc/39/87/81/398398781.db2.gz	SQKWYRGXMQFBNC-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
CC(C)(C)[C@@H](CCO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000181485981	199304829	/nfs/dbraw/zinc/30/48/29/199304829.db2.gz	VZAFYIYCVPFPPJ-CQSZACIVSA-N	0	3	323.824	2.537	20	30		DFEDHN
Cc1ccc(C2(NCC(=O)N[C@@](C)(C#N)C3CC3)CCC2)cc1	ZINC000592190094	398400174	/nfs/dbraw/zinc/40/01/74/398400174.db2.gz	ZELWKFGRZMXZLF-SFHVURJKSA-N	0	3	311.429	2.772	20	30		DFEDHN
CCCN(C(=O)Nc1cccc(C#N)c1C)[C@H]1CCN(C)C1	ZINC000592239635	398406695	/nfs/dbraw/zinc/40/66/95/398406695.db2.gz	QWXMMXCBWNTQFW-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1	ZINC000066922370	398407063	/nfs/dbraw/zinc/40/70/63/398407063.db2.gz	MSZGZFMKZWDVAP-QGZVFWFLSA-N	0	3	316.832	2.789	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC000272800367	210201750	/nfs/dbraw/zinc/20/17/50/210201750.db2.gz	BFFGSAJMFZLKCF-IAGOWNOFSA-N	0	3	307.459	2.903	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCCOCC1)C(C)C	ZINC000181635062	199330751	/nfs/dbraw/zinc/33/07/51/199330751.db2.gz	SPGWUFJBKYOFNI-IRXDYDNUSA-N	0	3	323.481	2.553	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000250684002	398417024	/nfs/dbraw/zinc/41/70/24/398417024.db2.gz	FSFSLOWYPQXJPV-RDTXWAMCSA-N	0	3	305.466	2.943	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000596443642	398413604	/nfs/dbraw/zinc/41/36/04/398413604.db2.gz	LDHJQXQROSOMEE-UHFFFAOYSA-N	0	3	322.412	2.984	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC(C)CC1	ZINC000067507522	398438118	/nfs/dbraw/zinc/43/81/18/398438118.db2.gz	WVYXIWROFWQJCE-CQSZACIVSA-N	0	3	300.406	2.800	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC(C)CC1	ZINC000067507527	398438173	/nfs/dbraw/zinc/43/81/73/398438173.db2.gz	HWOBRGDOZNJGRG-CQSZACIVSA-N	0	3	300.406	2.800	20	30		DFEDHN
COc1cc(CN2CC3(C[C@H]2C)CCOCC3)ccc1C#N	ZINC000592529109	398443719	/nfs/dbraw/zinc/44/37/19/398443719.db2.gz	XNVXQRRNMRLJIQ-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000025867111	398446825	/nfs/dbraw/zinc/44/68/25/398446825.db2.gz	UJCNIMRDOUYYBJ-IBGZPJMESA-N	0	3	324.424	2.933	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(C)cccc32)N(C)C1	ZINC000585783488	398446916	/nfs/dbraw/zinc/44/69/16/398446916.db2.gz	GOGADYNYTFTVLU-HOTGVXAUSA-N	0	3	324.428	2.570	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCOC3CCC3)CC2)cc1	ZINC000286727549	219132351	/nfs/dbraw/zinc/13/23/51/219132351.db2.gz	DSLCGTYAGDJROP-UHFFFAOYSA-N	0	3	300.402	2.971	20	30		DFEDHN
C[C@H](CC#N)c1nc(-c2ccccc2OCCN(C)C)no1	ZINC000596584266	398454596	/nfs/dbraw/zinc/45/45/96/398454596.db2.gz	YEHAEOGOCXVXNQ-GFCCVEGCSA-N	0	3	300.362	2.694	20	30		DFEDHN
CN1CCC[C@@H](CNc2cnc(C#N)cn2)[C@H]1c1cccs1	ZINC000302275830	530055060	/nfs/dbraw/zinc/05/50/60/530055060.db2.gz	ISMXATKCVKMVBQ-LRDDRELGSA-N	0	3	313.430	2.905	20	30		DFEDHN
C[C@H](c1ccc(F)c(F)c1)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942676	398471653	/nfs/dbraw/zinc/47/16/53/398471653.db2.gz	FNOZUAPDDRIOJI-SNVBAGLBSA-N	0	3	319.359	2.767	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2CCC(F)CC2)cc1	ZINC000592721482	398475088	/nfs/dbraw/zinc/47/50/88/398475088.db2.gz	KZSCOEHFBJKNMD-AQFXKWCLSA-N	0	3	313.376	2.885	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000596674661	398476721	/nfs/dbraw/zinc/47/67/21/398476721.db2.gz	SHJKTNXJPIFLHD-KRWDZBQOSA-N	0	3	316.405	2.524	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)C(C)C	ZINC000181791484	199352603	/nfs/dbraw/zinc/35/26/03/199352603.db2.gz	MCPNRRQZTQNHSQ-UHFFFAOYSA-N	0	3	318.421	2.761	20	30		DFEDHN
C=CCCSCCNC(=O)N1CCN(C2CCCC2)CC1	ZINC000596718271	398485012	/nfs/dbraw/zinc/48/50/12/398485012.db2.gz	CRNMVQXGJYNKKO-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)CCCCCC#N)Cc1ccccc1	ZINC000588250389	398491367	/nfs/dbraw/zinc/49/13/67/398491367.db2.gz	JNZNJDLULHGELK-QGZVFWFLSA-N	0	3	301.434	2.750	20	30		DFEDHN
CCCC[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592851471	398495845	/nfs/dbraw/zinc/49/58/45/398495845.db2.gz	DCYIFZHNCWMOQI-WMZOPIPTSA-N	0	3	302.418	2.816	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596763741	398496291	/nfs/dbraw/zinc/49/62/91/398496291.db2.gz	PRSBAAMIEPZTGP-DLBZAZTESA-N	0	3	320.481	2.976	20	30		DFEDHN
CC[C@H](C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592870522	398502113	/nfs/dbraw/zinc/50/21/13/398502113.db2.gz	HPQVJXIUFMNLQK-BHYGNILZSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C[C@H](C#N)CCC#N)CC1	ZINC000030534866	398503220	/nfs/dbraw/zinc/50/32/20/398503220.db2.gz	RARWIJFPUINERF-SFHVURJKSA-N	0	3	310.445	2.946	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC2(CC2)C1	ZINC000596827240	398509196	/nfs/dbraw/zinc/50/91/96/398509196.db2.gz	ATNGSDIZFAQQDP-UHFFFAOYSA-N	0	3	311.429	2.639	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCNC1	ZINC000592964426	398512249	/nfs/dbraw/zinc/51/22/49/398512249.db2.gz	KBHRMCGTWWRQFC-GOSISDBHSA-N	0	3	312.417	2.509	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1	ZINC000308164918	398512426	/nfs/dbraw/zinc/51/24/26/398512426.db2.gz	GAOPBAMEMMXJTO-RHSMWYFYSA-N	0	3	321.428	2.843	20	30		DFEDHN
CCCN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCN(C)C1	ZINC000596859358	398515815	/nfs/dbraw/zinc/51/58/15/398515815.db2.gz	LBCVAUQIBFEJNR-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
CCN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCN(CC)C1	ZINC000596859214	398515948	/nfs/dbraw/zinc/51/59/48/398515948.db2.gz	IKTFSGIBJHTELI-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCCC(C)(C)C#N)c1ccncc1	ZINC000589162860	398531149	/nfs/dbraw/zinc/53/11/49/398531149.db2.gz	YBEITDWRGRORAK-QGZVFWFLSA-N	0	3	303.406	2.779	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596926163	398530380	/nfs/dbraw/zinc/53/03/80/398530380.db2.gz	NSEIQRKUDVJROO-LBPRGKRZSA-N	0	3	309.360	2.543	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCOCC2)CC1	ZINC000589159723	398531657	/nfs/dbraw/zinc/53/16/57/398531657.db2.gz	MBHRMZFBVZMUTI-QFBILLFUSA-N	0	3	313.445	2.806	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCc2ccccc2[C@@H](C)C1	ZINC000593096880	398544461	/nfs/dbraw/zinc/54/44/61/398544461.db2.gz	WKYZTXVZLDQIEO-HOTGVXAUSA-N	0	3	313.445	2.656	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccccc1C#N	ZINC000320350924	398547792	/nfs/dbraw/zinc/54/77/92/398547792.db2.gz	FMADPKLBFRWLLN-NVXWUHKLSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1	ZINC000593119351	398550278	/nfs/dbraw/zinc/55/02/78/398550278.db2.gz	WIFBNJIDZJOURU-OAHLLOKOSA-N	0	3	305.328	2.618	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1cccc(C#N)n1	ZINC000589527515	398560011	/nfs/dbraw/zinc/56/00/11/398560011.db2.gz	IFXRFBQTEQCHRX-UHFFFAOYSA-N	0	3	314.433	2.681	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(C)(C#N)CC1	ZINC000597080368	398562325	/nfs/dbraw/zinc/56/23/25/398562325.db2.gz	GBOQQKPOUNJIPC-GOEBONIOSA-N	0	3	302.422	2.513	20	30		DFEDHN
CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1	ZINC000597082477	398562923	/nfs/dbraw/zinc/56/29/23/398562923.db2.gz	KTUADORRMVDTPL-ZIAGYGMSSA-N	0	3	300.402	2.919	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H]1OC	ZINC000597085113	398564157	/nfs/dbraw/zinc/56/41/57/398564157.db2.gz	CGVCSQNIKMMMRY-BRWVUGGUSA-N	0	3	300.402	2.524	20	30		DFEDHN
C[C@@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1	ZINC000593184101	398566689	/nfs/dbraw/zinc/56/66/89/398566689.db2.gz	VKKKBSLZXQLGFE-DYVFJYSZSA-N	0	3	307.397	2.985	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCC[C@H]1C#N	ZINC000597083584	398563531	/nfs/dbraw/zinc/56/35/31/398563531.db2.gz	SRBPHHUWQMAVKB-QBYUYEEZSA-N	0	3	302.422	2.653	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1	ZINC000041574783	398569580	/nfs/dbraw/zinc/56/95/80/398569580.db2.gz	ARYXBGUBOJAGGA-ZDUSSCGKSA-N	0	3	310.313	2.800	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)c3ccsc3)CC2)C1	ZINC000332727094	398570667	/nfs/dbraw/zinc/57/06/67/398570667.db2.gz	RIGVHWCVTYQITL-WFASDCNBSA-N	0	3	303.431	2.635	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CC1	ZINC000280565192	334968731	/nfs/dbraw/zinc/96/87/31/334968731.db2.gz	ATSUMKBLOLSSGO-WKILWMFISA-N	0	3	314.404	2.533	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCCN(C(C)C)CC1	ZINC000069661177	398579752	/nfs/dbraw/zinc/57/97/52/398579752.db2.gz	CSURDLNRESCCGK-UHFFFAOYSA-N	0	3	300.406	2.815	20	30		DFEDHN
N#CC1(CC(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1	ZINC000597176055	398582539	/nfs/dbraw/zinc/58/25/39/398582539.db2.gz	GWPIEWRSXWSAFY-INIZCTEOSA-N	0	3	303.450	2.937	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1	ZINC000589939219	398584365	/nfs/dbraw/zinc/58/43/65/398584365.db2.gz	ZQFJHMBECYLREG-AAEUAGOBSA-N	0	3	302.271	2.633	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)[C@H]1O	ZINC000597204553	398589974	/nfs/dbraw/zinc/58/99/74/398589974.db2.gz	IRXHHYQIUVSKDG-HWWDLCQESA-N	0	3	302.418	2.818	20	30		DFEDHN
CN(CCNC(=O)NCC1(C#N)CCCC1)Cc1ccccc1	ZINC000593318832	398597487	/nfs/dbraw/zinc/59/74/87/398597487.db2.gz	BXACILQJOZABMV-UHFFFAOYSA-N	0	3	314.433	2.502	20	30		DFEDHN
N#CCCn1cc(CN2CCC3(COC3)C2)c(-c2ccccc2)n1	ZINC000597228917	398597754	/nfs/dbraw/zinc/59/77/54/398597754.db2.gz	INVNMRAOISDDOY-UHFFFAOYSA-N	0	3	322.412	2.686	20	30		DFEDHN
CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1cccs1	ZINC000070790530	398599257	/nfs/dbraw/zinc/59/92/57/398599257.db2.gz	YEIVXDBNBXCSFA-GFCCVEGCSA-N	0	3	317.374	2.638	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)cc1F	ZINC000597237840	398601657	/nfs/dbraw/zinc/60/16/57/398601657.db2.gz	DDOYVTLISOWFLF-WBVHZDCISA-N	0	3	304.365	2.909	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1	ZINC000590196004	398605323	/nfs/dbraw/zinc/60/53/23/398605323.db2.gz	XNPNKQAZECVPEO-CQSZACIVSA-N	0	3	317.458	2.770	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1(CO)CCC1	ZINC000597256385	398608078	/nfs/dbraw/zinc/60/80/78/398608078.db2.gz	VYDYDAMJSDOMFB-UHFFFAOYSA-N	0	3	324.428	2.811	20	30		DFEDHN
N#CCCOCCN1CCC(OCc2ccccc2F)CC1	ZINC000590168628	398603393	/nfs/dbraw/zinc/60/33/93/398603393.db2.gz	HAMVJXQVBNWJJK-UHFFFAOYSA-N	0	3	306.381	2.737	20	30		DFEDHN
C[C@@H](O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000092970443	398611187	/nfs/dbraw/zinc/61/11/87/398611187.db2.gz	IWBYAJYUCJNPFF-OAHLLOKOSA-N	0	3	301.434	2.629	20	30		DFEDHN
CCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000043001472	398609401	/nfs/dbraw/zinc/60/94/01/398609401.db2.gz	VPFTVJYOBWHFBW-OAHLLOKOSA-N	0	3	316.449	2.820	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)CC1(C#N)CC1)C1CC1	ZINC000590332702	398614560	/nfs/dbraw/zinc/61/45/60/398614560.db2.gz	LXIBMSWYILOAKD-QGZVFWFLSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000597290366	398615018	/nfs/dbraw/zinc/61/50/18/398615018.db2.gz	MHLVXPLYFBCNFC-UMVBOHGHSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C2/CCOc3ccccc32)CC1	ZINC000365048310	398648029	/nfs/dbraw/zinc/64/80/29/398648029.db2.gz	YEBYPCHCCXAOKK-PFONDFGASA-N	0	3	312.413	2.619	20	30		DFEDHN
N#CCc1ccnc(NC(=O)[C@H]2CCCCN2C2CCCC2)c1	ZINC000590679699	398650626	/nfs/dbraw/zinc/65/06/26/398650626.db2.gz	XWUMMRQACSJTBT-MRXNPFEDSA-N	0	3	312.417	2.883	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@](C)(O)CCOC)cc1Cl	ZINC000172069862	198034590	/nfs/dbraw/zinc/03/45/90/198034590.db2.gz	MNKOWXIGQDAYFI-INIZCTEOSA-N	0	3	313.825	2.782	20	30		DFEDHN
C#CCCOc1ccc(CNCCC(=O)N2CCCCC2)cc1	ZINC000172114299	198041567	/nfs/dbraw/zinc/04/15/67/198041567.db2.gz	XZEWBCJTDOCHBD-UHFFFAOYSA-N	0	3	314.429	2.581	20	30		DFEDHN
CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1cccc(C)c1C	ZINC000593614699	398661810	/nfs/dbraw/zinc/66/18/10/398661810.db2.gz	VOJHIFCSZATUFL-ZFWWWQNUSA-N	0	3	302.374	2.574	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1	ZINC000172290203	198071338	/nfs/dbraw/zinc/07/13/38/198071338.db2.gz	IGPDEEZBAUCIPI-KBPBESRZSA-N	0	3	320.383	2.835	20	30		DFEDHN
C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCc2ccccc21	ZINC000593679086	398669680	/nfs/dbraw/zinc/66/96/80/398669680.db2.gz	HXOZKMAZDLHIFX-AWEZNQCLSA-N	0	3	317.396	2.763	20	30		DFEDHN
C=Cn1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cn1	ZINC000593693196	398672644	/nfs/dbraw/zinc/67/26/44/398672644.db2.gz	SOEHNZZKFFTAIT-UHFFFAOYSA-N	0	3	321.428	2.609	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@@H](C)CC#N)C2)s1	ZINC000597642405	398673022	/nfs/dbraw/zinc/67/30/22/398673022.db2.gz	YEMXLEBFIUPINH-DZGCQCFKSA-N	0	3	319.474	2.887	20	30		DFEDHN
CCn1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)cn1	ZINC000593693067	398672342	/nfs/dbraw/zinc/67/23/42/398672342.db2.gz	NUWLOSIBFVYOID-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C2	ZINC000072500841	191183719	/nfs/dbraw/zinc/18/37/19/191183719.db2.gz	GSFZCGVBUXXLKH-UONOGXRCSA-N	0	3	318.808	2.912	20	30		DFEDHN
CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000391005461	398674850	/nfs/dbraw/zinc/67/48/50/398674850.db2.gz	WNDOVMRMBTZWCE-IAGOWNOFSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1	ZINC000597658746	398675786	/nfs/dbraw/zinc/67/57/86/398675786.db2.gz	WMTQUFCZPWUKDN-YOEHRIQHSA-N	0	3	317.433	2.742	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cn[nH]c1	ZINC000593719313	398676837	/nfs/dbraw/zinc/67/68/37/398676837.db2.gz	BODCPCCIELWAGO-CQSZACIVSA-N	0	3	309.417	2.597	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](NCc3ccc(C#N)c(C)c3)C2)nn1	ZINC000331819229	234160750	/nfs/dbraw/zinc/16/07/50/234160750.db2.gz	HXRRDYUAWYBITI-GOSISDBHSA-N	0	3	321.428	2.724	20	30		DFEDHN
CCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593753723	398681849	/nfs/dbraw/zinc/68/18/49/398681849.db2.gz	GBWPBGDFDFTHKW-MRXNPFEDSA-N	0	3	300.402	2.786	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)Nc1cccc3c1CCNC3)C2	ZINC000593762027	398683116	/nfs/dbraw/zinc/68/31/16/398683116.db2.gz	ZOBVJYODHRDAKG-UHFFFAOYSA-N	0	3	318.380	2.752	20	30		DFEDHN
N#CC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCCC1	ZINC000593787170	398687589	/nfs/dbraw/zinc/68/75/89/398687589.db2.gz	SKYJFURXOPRAPA-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCCCCN(CCNC(=O)[C@@H](C)C#N)Cc1ccccc1	ZINC000593786286	398687651	/nfs/dbraw/zinc/68/76/51/398687651.db2.gz	MBPULODOWIIOLC-INIZCTEOSA-N	0	3	301.434	2.955	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1C	ZINC000045959736	398690670	/nfs/dbraw/zinc/69/06/70/398690670.db2.gz	GYFVUCJWRWTDCW-KGLIPLIRSA-N	0	3	300.406	2.943	20	30		DFEDHN
CCN1CCN(C[C@@H](C)CNc2cc(Cl)ccc2C#N)CC1	ZINC000277131788	213314777	/nfs/dbraw/zinc/31/47/77/213314777.db2.gz	PLLPNZZNGLJVHP-AWEZNQCLSA-N	0	3	320.868	2.897	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1[C@H](C)CC[C@@H]1C	ZINC000105653586	398693351	/nfs/dbraw/zinc/69/33/51/398693351.db2.gz	MXXIECRHTDTREJ-XQQFMLRXSA-N	0	3	303.381	2.575	20	30		DFEDHN
C[C@H](CO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593831281	398695611	/nfs/dbraw/zinc/69/56/11/398695611.db2.gz	SYZNHCAFYBYHJT-CRAIPNDOSA-N	0	3	314.429	2.626	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000174029601	198282921	/nfs/dbraw/zinc/28/29/21/198282921.db2.gz	FCFMSUGXKULWEL-XJKSGUPXSA-N	0	3	309.417	2.939	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000590927906	398702059	/nfs/dbraw/zinc/70/20/59/398702059.db2.gz	JXNBRCYINGLTNC-WMLDXEAASA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@](CO)(NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000597840857	398703221	/nfs/dbraw/zinc/70/32/21/398703221.db2.gz	BTHXFWOYLZMPHM-FXAWDEMLSA-N	0	3	322.408	2.783	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000597856835	398705347	/nfs/dbraw/zinc/70/53/47/398705347.db2.gz	BAYRLVMNMONZER-CYBMUJFWSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000597860544	398706280	/nfs/dbraw/zinc/70/62/80/398706280.db2.gz	OHPYNWDTDBHBIJ-RHSMWYFYSA-N	0	3	313.445	2.726	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C	ZINC000593982452	398714097	/nfs/dbraw/zinc/71/40/97/398714097.db2.gz	NBVNIONMTXJFSW-RKVPGOIHSA-N	0	3	313.445	2.535	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(N2CCOC[C@@H]2C)CC1	ZINC000593988160	398714712	/nfs/dbraw/zinc/71/47/12/398714712.db2.gz	HBRUPZZPUVUCIV-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000591063115	398720206	/nfs/dbraw/zinc/72/02/06/398720206.db2.gz	RDFQGEJXJORSLQ-FGTMMUONSA-N	0	3	311.429	2.652	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000597921921	398721392	/nfs/dbraw/zinc/72/13/92/398721392.db2.gz	HVWNGXVZQRTRBG-ZDUSSCGKSA-N	0	3	305.809	2.814	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000597923121	398722171	/nfs/dbraw/zinc/72/21/71/398722171.db2.gz	LRXRJJXERACKNV-CYBMUJFWSA-N	0	3	305.809	2.814	20	30		DFEDHN
N#Cc1ccc(C2(NCCC(=O)Nc3cccnc3)CCC2)cc1	ZINC000594033251	398726417	/nfs/dbraw/zinc/72/64/17/398726417.db2.gz	LQSLSQMOUFCJRY-UHFFFAOYSA-N	0	3	320.396	2.951	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C3CCC3)cc2)CC1	ZINC000277005866	213233537	/nfs/dbraw/zinc/23/35/37/213233537.db2.gz	DLHKIEDEJGZFQQ-UHFFFAOYSA-N	0	3	310.441	2.916	20	30		DFEDHN
N#Cc1cccnc1NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000277004862	213234878	/nfs/dbraw/zinc/23/48/78/213234878.db2.gz	IIGFFFSDBPWFER-GOSISDBHSA-N	0	3	322.412	2.656	20	30		DFEDHN
CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCCO1	ZINC000594039671	398728239	/nfs/dbraw/zinc/72/82/39/398728239.db2.gz	BNRQYUXMIUOFHV-GDBMZVCRSA-N	0	3	303.362	2.904	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCCO1	ZINC000594042982	398729422	/nfs/dbraw/zinc/72/94/22/398729422.db2.gz	KZZDQKPBINPCPI-LSDHHAIUSA-N	0	3	319.405	2.644	20	30		DFEDHN
Cn1cc(CNC[C@H](O)c2c(F)cccc2Cl)cc1C#N	ZINC000276985710	213219694	/nfs/dbraw/zinc/21/96/94/213219694.db2.gz	VCKQNFZTOCKNGR-AWEZNQCLSA-N	0	3	307.756	2.512	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000594059479	398734657	/nfs/dbraw/zinc/73/46/57/398734657.db2.gz	TZKFWYTUIUCNKN-UHFFFAOYSA-N	0	3	300.406	2.896	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCCCCC1	ZINC000074258291	398734823	/nfs/dbraw/zinc/73/48/23/398734823.db2.gz	IDBDVDRGQQBIPP-MRXNPFEDSA-N	0	3	314.433	2.588	20	30		DFEDHN
CC(C#N)C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000598016258	398737806	/nfs/dbraw/zinc/73/78/06/398737806.db2.gz	JSIBXTSCWUZUOK-BLLLJJGKSA-N	0	3	306.793	2.708	20	30		DFEDHN
C=CCOCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000591196160	398738430	/nfs/dbraw/zinc/73/84/30/398738430.db2.gz	SIBNOVOHJQYVHX-KRWDZBQOSA-N	0	3	302.418	2.532	20	30		DFEDHN
CC(C)(CCN[C@@H]1CCCc2cc(C#N)ccc21)S(C)(=O)=O	ZINC000591249818	398742605	/nfs/dbraw/zinc/74/26/05/398742605.db2.gz	OEUMLDOXNLQREO-MRXNPFEDSA-N	0	3	320.458	2.739	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1F	ZINC000594111440	398745679	/nfs/dbraw/zinc/74/56/79/398745679.db2.gz	NVMGQSMLHOQDGE-HZPDHXFCSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000248137132	283121684	/nfs/dbraw/zinc/12/16/84/283121684.db2.gz	XSQXJZYUCYGMOH-AZUAARDMSA-N	0	3	319.408	2.662	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Cl	ZINC000594194890	398762469	/nfs/dbraw/zinc/76/24/69/398762469.db2.gz	AFZUPSPZLPILRD-CVEARBPZSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1Cl	ZINC000594195158	398762764	/nfs/dbraw/zinc/76/27/64/398762764.db2.gz	CMWMDTNVQGPXBF-HOTGVXAUSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1Cl	ZINC000594195157	398763105	/nfs/dbraw/zinc/76/31/05/398763105.db2.gz	CMWMDTNVQGPXBF-CVEARBPZSA-N	0	3	317.820	2.958	20	30		DFEDHN
CN(C[C@H]1CCCN1C)c1c(C#N)cnc2c(F)ccc(F)c21	ZINC000591464164	398764181	/nfs/dbraw/zinc/76/41/81/398764181.db2.gz	CSJZZODEAMJSDA-GFCCVEGCSA-N	0	3	316.355	2.915	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000184280264	199696934	/nfs/dbraw/zinc/69/69/34/199696934.db2.gz	RSAZLKCMYOCETO-LBPRGKRZSA-N	0	3	302.330	2.881	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000373956099	283159223	/nfs/dbraw/zinc/15/92/23/283159223.db2.gz	ZWBJDPXBZOQXAL-HNNXBMFYSA-N	0	3	314.389	2.921	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1=O	ZINC000281394015	334982328	/nfs/dbraw/zinc/98/23/28/334982328.db2.gz	ZSFGYPKGISBEIT-FZMZJTMJSA-N	0	3	310.344	2.726	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC[C@@H]1C	ZINC000594234369	398770599	/nfs/dbraw/zinc/77/05/99/398770599.db2.gz	LLTWBTDHJJUYAC-HOTGVXAUSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCNC1	ZINC000591590650	398774617	/nfs/dbraw/zinc/77/46/17/398774617.db2.gz	BLKNDXPYORSFIF-GFCCVEGCSA-N	0	3	317.698	2.801	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1	ZINC000591607257	398776179	/nfs/dbraw/zinc/77/61/79/398776179.db2.gz	FGMLCISECCXALC-IRXDYDNUSA-N	0	3	317.408	2.770	20	30		DFEDHN
CCCN(Cc1c(F)cccc1Cl)C(=O)[C@]1(C#N)CCNC1	ZINC000591597589	398774715	/nfs/dbraw/zinc/77/47/15/398774715.db2.gz	LSNBDHWWDZBJLZ-INIZCTEOSA-N	0	3	323.799	2.721	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CN(C)C	ZINC000594280516	398778444	/nfs/dbraw/zinc/77/84/44/398778444.db2.gz	MJIJKHVFQLPZKJ-CRAIPNDOSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000598259678	398779269	/nfs/dbraw/zinc/77/92/69/398779269.db2.gz	DUBOANGBBAJJQB-CRAIPNDOSA-N	0	3	303.450	2.697	20	30		DFEDHN
N#C[C@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCNC1	ZINC000591626878	398778008	/nfs/dbraw/zinc/77/80/08/398778008.db2.gz	HDJRJGYIUMJYOD-HXUWFJFHSA-N	0	3	319.408	2.516	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C(\C)c2cccc(OC)c2)CC1	ZINC000081751176	192319838	/nfs/dbraw/zinc/31/98/38/192319838.db2.gz	KVDPPSZFVQAKOL-FYWRMAATSA-N	0	3	314.429	2.865	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COCc1ccccc1	ZINC000591763963	398785477	/nfs/dbraw/zinc/78/54/77/398785477.db2.gz	UHVKLBJWIOTJKR-AZUAARDMSA-N	0	3	322.408	2.713	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000594342104	398785067	/nfs/dbraw/zinc/78/50/67/398785067.db2.gz	XZTVMJBRRNGTAZ-HUUCEWRRSA-N	0	3	311.429	2.503	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000591764446	398785645	/nfs/dbraw/zinc/78/56/45/398785645.db2.gz	UIALEESVOLXDIX-SJLPKXTDSA-N	0	3	314.429	2.725	20	30		DFEDHN
C=C(CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000591767165	398786244	/nfs/dbraw/zinc/78/62/44/398786244.db2.gz	PMNBGSWVMGGXHU-IBGZPJMESA-N	0	3	322.408	2.795	20	30		DFEDHN
COc1cc(OCCN(C)C)ccc1NC(=O)CCCCC#N	ZINC000594370597	398788599	/nfs/dbraw/zinc/78/85/99/398788599.db2.gz	BNMFATKMWCJDBU-UHFFFAOYSA-N	0	3	319.405	2.658	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCCC1	ZINC000594373292	398789186	/nfs/dbraw/zinc/78/91/86/398789186.db2.gz	PYLLTWSDOZSDKD-MRXNPFEDSA-N	0	3	313.445	2.681	20	30		DFEDHN
C[C@H]1CC[C@H](C)N1CC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC000594403082	398792890	/nfs/dbraw/zinc/79/28/90/398792890.db2.gz	DYXVGJCSGFGNGZ-GJZGRUSLSA-N	0	3	311.429	2.926	20	30		DFEDHN
Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C(C)(C)C	ZINC000049407013	398795042	/nfs/dbraw/zinc/79/50/42/398795042.db2.gz	RUTKLWQHHXZWDJ-CYBMUJFWSA-N	0	3	311.389	2.843	20	30		DFEDHN
N#CC(C(=O)c1cnnn1-c1ccccc1Cl)c1ccccn1	ZINC000591862705	398796225	/nfs/dbraw/zinc/79/62/25/398796225.db2.gz	ZVNAAWBSALLELJ-LLVKDONJSA-N	0	3	323.743	2.806	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F	ZINC000594425747	398797688	/nfs/dbraw/zinc/79/76/88/398797688.db2.gz	BQNGRIWBMNBKQQ-OLZOCXBDSA-N	0	3	313.323	2.817	20	30		DFEDHN
CC(C)c1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594425922	398797705	/nfs/dbraw/zinc/79/77/05/398797705.db2.gz	MWVMTEYDXJCVSX-KRWDZBQOSA-N	0	3	301.434	2.880	20	30		DFEDHN
Cc1ccc2nc(NC(=O)[C@H](N)CCCCC#N)sc2c1	ZINC000594424403	398797992	/nfs/dbraw/zinc/79/79/92/398797992.db2.gz	DBZDGDAIHCMPDS-LLVKDONJSA-N	0	3	302.403	2.955	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCSC[C@H]1c1ccccc1	ZINC000594425817	398798021	/nfs/dbraw/zinc/79/80/21/398798021.db2.gz	ATLXGRUWTFLVRC-CVEARBPZSA-N	0	3	317.458	2.714	20	30		DFEDHN
Cc1ccc(CCCNC(=O)[C@H](N)CCCCC#N)c(C)c1	ZINC000594424656	398798040	/nfs/dbraw/zinc/79/80/40/398798040.db2.gz	CJRQHFKCSNKSIK-QGZVFWFLSA-N	0	3	301.434	2.764	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C)cc1	ZINC000594428469	398798470	/nfs/dbraw/zinc/79/84/70/398798470.db2.gz	YSIMAMSRGZMFRM-IRXDYDNUSA-N	0	3	317.433	2.920	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccco2)cs1	ZINC000594428908	398798980	/nfs/dbraw/zinc/79/89/80/398798980.db2.gz	PRBUJZWFDDADAC-SNVBAGLBSA-N	0	3	304.375	2.753	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2csnn2)cc1	ZINC000594430053	398799351	/nfs/dbraw/zinc/79/93/51/398799351.db2.gz	XZVZHTKTLHZFOG-CYBMUJFWSA-N	0	3	315.402	2.555	20	30		DFEDHN
CC(C)Oc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594427869	398798751	/nfs/dbraw/zinc/79/87/51/398798751.db2.gz	LHCSDWNIPSPIKJ-MRXNPFEDSA-N	0	3	303.406	2.501	20	30		DFEDHN
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594429540	398799785	/nfs/dbraw/zinc/79/97/85/398799785.db2.gz	REVKKZSOIYMJGG-XHDPSFHLSA-N	0	3	309.360	2.895	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)ccc1F	ZINC000594433182	398800269	/nfs/dbraw/zinc/80/02/69/398800269.db2.gz	MBIUUUARCRQNDQ-HUUCEWRRSA-N	0	3	309.360	2.943	20	30		DFEDHN
CC1(C)Cc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2O1	ZINC000594433300	398800274	/nfs/dbraw/zinc/80/02/74/398800274.db2.gz	NLBJQHYUSGWONJ-CQSZACIVSA-N	0	3	301.390	2.750	20	30		DFEDHN
C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Sc1ccccc1	ZINC000594433291	398800417	/nfs/dbraw/zinc/80/04/17/398800417.db2.gz	NJLXWKQTTDEUPV-DZGCQCFKSA-N	0	3	305.447	2.695	20	30		DFEDHN
Cc1csc(C2(NC(=O)[C@H](N)CCCCC#N)CCCC2)n1	ZINC000594435839	398801215	/nfs/dbraw/zinc/80/12/15/398801215.db2.gz	AJESGMWVYYQYHC-CYBMUJFWSA-N	0	3	320.462	2.748	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCCC#N)[C@H]1C[C@@H](OCC)C1(C)C	ZINC000594433687	398801339	/nfs/dbraw/zinc/80/13/39/398801339.db2.gz	QQQRNMHDGBFLSE-OWCLPIDISA-N	0	3	323.481	2.840	20	30		DFEDHN
Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)CCCCC#N)c(C)c1	ZINC000594434260	398801640	/nfs/dbraw/zinc/80/16/40/398801640.db2.gz	LYVVMEPUHFDZNE-RDJZCZTQSA-N	0	3	301.434	2.762	20	30		DFEDHN
COc1cccc(C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594436939	398802006	/nfs/dbraw/zinc/80/20/06/398802006.db2.gz	KZPZTYHCDFIOJB-INIZCTEOSA-N	0	3	317.433	2.500	20	30		DFEDHN
Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](N)CCCCC#N)n1	ZINC000594437586	398802375	/nfs/dbraw/zinc/80/23/75/398802375.db2.gz	OOPHEDFCRMPPKT-CQSZACIVSA-N	0	3	311.389	2.735	20	30		DFEDHN
Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)CCC2	ZINC000594437125	398802410	/nfs/dbraw/zinc/80/24/10/398802410.db2.gz	IINFFLHLZFPVDL-JSGCOSHPSA-N	0	3	320.462	2.699	20	30		DFEDHN
CC(C)Nc1cc(F)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594438850	398802624	/nfs/dbraw/zinc/80/26/24/398802624.db2.gz	QBIWDKXKCUGZOB-CYBMUJFWSA-N	0	3	306.385	2.996	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)n1	ZINC000594436595	398802637	/nfs/dbraw/zinc/80/26/37/398802637.db2.gz	DJFLQGLVTMMOEL-ZIAGYGMSSA-N	0	3	320.462	2.569	20	30		DFEDHN
CCc1nc(C)c([C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)s1	ZINC000594440043	398803205	/nfs/dbraw/zinc/80/32/05/398803205.db2.gz	YPXNVEUFBLYPLY-QWHCGFSZSA-N	0	3	322.478	2.945	20	30		DFEDHN
CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594439913	398803443	/nfs/dbraw/zinc/80/34/43/398803443.db2.gz	SNRYDUQOEIVISH-GFCCVEGCSA-N	0	3	322.796	2.648	20	30		DFEDHN
Cc1ccn(-c2ccccc2NC(=O)[C@@H](N)CCCCC#N)n1	ZINC000594445123	398804626	/nfs/dbraw/zinc/80/46/26/398804626.db2.gz	AHLQVGPHQWMDNX-AWEZNQCLSA-N	0	3	311.389	2.531	20	30		DFEDHN
C[C@]1(CNC(=O)[C@@H](N)CCCCC#N)CCCc2ccccc21	ZINC000594444169	398803836	/nfs/dbraw/zinc/80/38/36/398803836.db2.gz	YQGZUCZWERRGNX-PKOBYXMFSA-N	0	3	313.445	2.808	20	30		DFEDHN
COC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594444964	398803887	/nfs/dbraw/zinc/80/38/87/398803887.db2.gz	GWAGUNRTNDWSEX-GJZGRUSLSA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F	ZINC000594445421	398804931	/nfs/dbraw/zinc/80/49/31/398804931.db2.gz	FGTASKDQXIFMMO-VXGBXAGGSA-N	0	3	305.344	2.635	20	30		DFEDHN
Cc1ccnc(-c2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)n1	ZINC000594448082	398805437	/nfs/dbraw/zinc/80/54/37/398805437.db2.gz	ZXHDABPETATYBG-INIZCTEOSA-N	0	3	323.400	2.802	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1ccccn1	ZINC000594445444	398804790	/nfs/dbraw/zinc/80/47/90/398804790.db2.gz	FRGRWTHLCBVHSD-AEFFLSMTSA-N	0	3	322.412	2.698	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(CCC(F)(F)F)CC1CC1	ZINC000594446525	398804798	/nfs/dbraw/zinc/80/47/98/398804798.db2.gz	UWKCBHRWIABSAK-GFCCVEGCSA-N	0	3	305.344	2.589	20	30		DFEDHN
Cc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1C1CCCC1	ZINC000594445220	398804851	/nfs/dbraw/zinc/80/48/51/398804851.db2.gz	IIJHTVRJDQLEBJ-AWEZNQCLSA-N	0	3	303.410	2.656	20	30		DFEDHN
C[C@]1(c2cccc(F)c2)CCN(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594454145	398805950	/nfs/dbraw/zinc/80/59/50/398805950.db2.gz	UITUDINOPHHQGY-WMZOPIPTSA-N	0	3	317.408	2.727	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O	ZINC000594468213	398807123	/nfs/dbraw/zinc/80/71/23/398807123.db2.gz	KOMCIGTVQLDMMJ-SNVBAGLBSA-N	0	3	315.295	2.761	20	30		DFEDHN
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594469376	398807130	/nfs/dbraw/zinc/80/71/30/398807130.db2.gz	VVZCHFAMUYIQEU-AWEZNQCLSA-N	0	3	311.389	2.735	20	30		DFEDHN
C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NC(C)(C)C	ZINC000594496295	398809593	/nfs/dbraw/zinc/80/95/93/398809593.db2.gz	JQBJQUWDVUJLTC-ZDUSSCGKSA-N	0	3	301.434	2.881	20	30		DFEDHN
CCc1nnc2n1C[C@H](NCc1ccc(C(C)(C)C#N)cc1)CC2	ZINC000594502504	398811499	/nfs/dbraw/zinc/81/14/99/398811499.db2.gz	JKOROSMBPYVFMG-MRXNPFEDSA-N	0	3	323.444	2.746	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O	ZINC000594507268	398812123	/nfs/dbraw/zinc/81/21/23/398812123.db2.gz	BWLFELQAFAQSRW-INIZCTEOSA-N	0	3	313.445	2.977	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O	ZINC000594507271	398812203	/nfs/dbraw/zinc/81/22/03/398812203.db2.gz	BWLFELQAFAQSRW-MRXNPFEDSA-N	0	3	313.445	2.977	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1	ZINC000179450121	199037214	/nfs/dbraw/zinc/03/72/14/199037214.db2.gz	IYJQOQWGZUSJJE-KXBFYZLASA-N	0	3	310.441	2.771	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594514126	398814067	/nfs/dbraw/zinc/81/40/67/398814067.db2.gz	PTSQJLSRTKVHGG-COXVUDFISA-N	0	3	311.429	2.587	20	30		DFEDHN
N#Cc1c(CN2CCN(C3CCCC3)CC2)cn2ccccc12	ZINC000075633821	398814684	/nfs/dbraw/zinc/81/46/84/398814684.db2.gz	WGWABJGCTRNBLA-UHFFFAOYSA-N	0	3	308.429	2.871	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN[C@H](CCCO)c2ccccc2)cc1	ZINC000179761143	199077543	/nfs/dbraw/zinc/07/75/43/199077543.db2.gz	FIVCOYLFNBXTAA-RTBURBONSA-N	0	3	310.397	2.695	20	30		DFEDHN
CN(CCOc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1	ZINC000051401062	398821752	/nfs/dbraw/zinc/82/17/52/398821752.db2.gz	BCKRFFKIYFZKKV-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
CCN(CCC#N)Cc1ccc(OCCN2CCCC2)cc1	ZINC000127681676	398822766	/nfs/dbraw/zinc/82/27/66/398822766.db2.gz	XXFWBTMOFJEXRO-UHFFFAOYSA-N	0	3	301.434	2.897	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(CCCCC#N)n2)c1	ZINC000594540564	398818182	/nfs/dbraw/zinc/81/81/82/398818182.db2.gz	USBDZLIRIBOEOE-UHFFFAOYSA-N	0	3	314.389	2.913	20	30		DFEDHN
C=CCCCN1CCCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC000075861977	398825837	/nfs/dbraw/zinc/82/58/37/398825837.db2.gz	BJDNLMZYYLKAPZ-HNNXBMFYSA-N	0	3	322.453	2.641	20	30		DFEDHN
C[C@H](O)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000598540985	398829506	/nfs/dbraw/zinc/82/95/06/398829506.db2.gz	VDRJCSUNIQWRIN-ZYSHUDEJSA-N	0	3	322.408	2.997	20	30		DFEDHN
C[C@H](O)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000598540983	398829694	/nfs/dbraw/zinc/82/96/94/398829694.db2.gz	VDRJCSUNIQWRIN-KFKAGJAMSA-N	0	3	322.408	2.997	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)[C@@H](C)c1nc2ccccc2s1	ZINC000180030355	199109312	/nfs/dbraw/zinc/10/93/12/199109312.db2.gz	BUWNQJQAWAYXIB-VXGBXAGGSA-N	0	3	303.431	2.680	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000598591256	398836531	/nfs/dbraw/zinc/83/65/31/398836531.db2.gz	XPNOTTJZWPXEOP-GJZGRUSLSA-N	0	3	316.401	2.853	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)CC(C)(C)C#N	ZINC000598587682	398836598	/nfs/dbraw/zinc/83/65/98/398836598.db2.gz	STCYZZGGJUVVBR-OAHLLOKOSA-N	0	3	320.433	2.826	20	30		DFEDHN
COCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000180079014	199114783	/nfs/dbraw/zinc/11/47/83/199114783.db2.gz	FHLONZUOYPPMKC-UHFFFAOYSA-N	0	3	324.428	2.817	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1[N+](=O)[O-]	ZINC000598601361	398839392	/nfs/dbraw/zinc/83/93/92/398839392.db2.gz	JSKXMIAPVMAWDA-GXTWGEPZSA-N	0	3	305.378	2.855	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](CCO)c1ccc(Cl)cc1	ZINC000598615793	398841179	/nfs/dbraw/zinc/84/11/79/398841179.db2.gz	FWAVQSANCVXVQY-LSDHHAIUSA-N	0	3	310.825	2.654	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(CCCO)Cc1cccc(Cl)c1	ZINC000598597040	398838676	/nfs/dbraw/zinc/83/86/76/398838676.db2.gz	CRYQUXCBSVRMNX-INIZCTEOSA-N	0	3	324.852	2.825	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](Cn1cccn1)c1ccccc1	ZINC000598595304	398838746	/nfs/dbraw/zinc/83/87/46/398838746.db2.gz	HZFRECJFWROTOR-IAGOWNOFSA-N	0	3	312.417	2.515	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1[N+](=O)[O-]	ZINC000598601362	398839071	/nfs/dbraw/zinc/83/90/71/398839071.db2.gz	JSKXMIAPVMAWDA-JSGCOSHPSA-N	0	3	305.378	2.855	20	30		DFEDHN
C[C@H]1CN(c2cccc(F)c2)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598616437	398841892	/nfs/dbraw/zinc/84/18/92/398841892.db2.gz	AORDBFINEHBMNP-YOEHRIQHSA-N	0	3	319.424	2.637	20	30		DFEDHN
CCOc1ccc([C@H](COC)NC[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598616760	398841975	/nfs/dbraw/zinc/84/19/75/398841975.db2.gz	WPQZUOVNKBAENX-RDJZCZTQSA-N	0	3	320.433	2.663	20	30		DFEDHN
CN(C)C(=O)[C@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000594710803	398846724	/nfs/dbraw/zinc/84/67/24/398846724.db2.gz	MHHYNLKJBQLTOW-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
C[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C	ZINC000598626432	398843549	/nfs/dbraw/zinc/84/35/49/398843549.db2.gz	WHGUDSHPAKNXGZ-RBSFLKMASA-N	0	3	324.465	2.587	20	30		DFEDHN
C[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C	ZINC000598626429	398843555	/nfs/dbraw/zinc/84/35/55/398843555.db2.gz	WHGUDSHPAKNXGZ-ILXRZTDVSA-N	0	3	324.465	2.587	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@]2(C)CCCc3ccccc32)CC1	ZINC000180304788	199143980	/nfs/dbraw/zinc/14/39/80/199143980.db2.gz	TVDVWQCXLWBYCY-NRFANRHFSA-N	0	3	324.468	2.742	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598721714	398861750	/nfs/dbraw/zinc/86/17/50/398861750.db2.gz	YNOCDROPSSOOGC-GOEBONIOSA-N	0	3	302.418	2.963	20	30		DFEDHN
Cc1ccc(OC(F)F)c(CNC[C@H](O)CC(C)(C)C#N)c1	ZINC000598724941	398862091	/nfs/dbraw/zinc/86/20/91/398862091.db2.gz	MQGMOOSXUOEUTM-CYBMUJFWSA-N	0	3	312.360	2.987	20	30		DFEDHN
CO[C@@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccccc1Cl	ZINC000598726044	398862767	/nfs/dbraw/zinc/86/27/67/398862767.db2.gz	QOGZEBPGSCYJIQ-WFASDCNBSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1nc2ccccc2n1C1CC1	ZINC000598725658	398862935	/nfs/dbraw/zinc/86/29/35/398862935.db2.gz	YPZHRUGRQILQKS-AWEZNQCLSA-N	0	3	312.417	2.762	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1c(F)cccc1N1CCCC1	ZINC000598728564	398863194	/nfs/dbraw/zinc/86/31/94/398863194.db2.gz	VDVTWDKRBRRBRL-AWEZNQCLSA-N	0	3	319.424	2.816	20	30		DFEDHN
CC(C)[C@H](O)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1	ZINC000598730303	398863951	/nfs/dbraw/zinc/86/39/51/398863951.db2.gz	SOCGQIQTQQKYAK-IKGGRYGDSA-N	0	3	304.434	2.635	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cccc(Br)c1	ZINC000598715981	398860601	/nfs/dbraw/zinc/86/06/01/398860601.db2.gz	WWSVIYMCSJGDQG-CYBMUJFWSA-N	0	3	311.223	2.839	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1	ZINC000598715436	398860641	/nfs/dbraw/zinc/86/06/41/398860641.db2.gz	QKFYTESLWDVNRC-OAHLLOKOSA-N	0	3	324.346	2.947	20	30		DFEDHN
CN(C)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1	ZINC000594915469	398870513	/nfs/dbraw/zinc/87/05/13/398870513.db2.gz	USSFYBAVBZINSB-UHFFFAOYSA-N	0	3	306.413	2.993	20	30		DFEDHN
N#Cc1ccnc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1	ZINC000598809251	398876693	/nfs/dbraw/zinc/87/66/93/398876693.db2.gz	XGACYWZTPCZNAW-INIZCTEOSA-N	0	3	318.380	2.578	20	30		DFEDHN
CC(=O)Nc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1	ZINC000594939095	398876779	/nfs/dbraw/zinc/87/67/79/398876779.db2.gz	OYLHMTRLMUMNGG-UHFFFAOYSA-N	0	3	320.396	2.885	20	30		DFEDHN
N#CCCCOc1cccc(CNCCO[C@H]2CC2(F)F)c1	ZINC000594970768	398884050	/nfs/dbraw/zinc/88/40/50/398884050.db2.gz	MQXBODWFNSOSTL-HNNXBMFYSA-N	0	3	310.344	2.883	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3[C@@H]4Cc5cc(F)ccc5[C@@H]43)n2c1	ZINC000594994563	398888850	/nfs/dbraw/zinc/88/88/50/398888850.db2.gz	INNUWOZMNBXYPE-NZSAHSFTSA-N	0	3	318.355	2.773	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N1CC[C@H](N2CCCCC2)C1	ZINC000077218846	398889495	/nfs/dbraw/zinc/88/94/95/398889495.db2.gz	ZCJFEROSNDQNAF-AWEZNQCLSA-N	0	3	307.401	2.566	20	30		DFEDHN
C=CCN1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000595010286	398891117	/nfs/dbraw/zinc/89/11/17/398891117.db2.gz	GEHNVQMCWJADNE-CYBMUJFWSA-N	0	3	319.405	2.904	20	30		DFEDHN
N#CCN1CCC(NCc2csc(C(F)(F)F)c2)CC1	ZINC000598959806	398897653	/nfs/dbraw/zinc/89/76/53/398897653.db2.gz	FXZBXTYFWUYDPY-UHFFFAOYSA-N	0	3	303.353	2.844	20	30		DFEDHN
C=CCCSCCN[C@H](C)CS(=O)(=O)c1ccccc1	ZINC000595059887	398899882	/nfs/dbraw/zinc/89/98/82/398899882.db2.gz	QZRAXLSGWVXSHK-CQSZACIVSA-N	0	3	313.488	2.748	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000142920944	398900149	/nfs/dbraw/zinc/90/01/49/398900149.db2.gz	FJKJDALELYLLCE-KRWDZBQOSA-N	0	3	302.418	2.532	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCSC2(CCOCC2)C1	ZINC000186815786	200016104	/nfs/dbraw/zinc/01/61/04/200016104.db2.gz	LQHRPZDHDSMHKF-UHFFFAOYSA-N	0	3	318.442	2.535	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000598982030	398903074	/nfs/dbraw/zinc/90/30/74/398903074.db2.gz	VMYLMDYRPOKDMP-INIZCTEOSA-N	0	3	301.434	2.605	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C#N)cc1F	ZINC000595105917	398906218	/nfs/dbraw/zinc/90/62/18/398906218.db2.gz	UHMCLRWDEJNCSP-UGSOOPFHSA-N	0	3	320.408	2.916	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C	ZINC000187192785	200075887	/nfs/dbraw/zinc/07/58/87/200075887.db2.gz	KTMSHDSANICQHG-KDOFPFPSSA-N	0	3	307.397	2.979	20	30		DFEDHN
N#CC1(CC(=O)N2CCc3ccccc3[C@@H]2CN)CCCCC1	ZINC000595251704	398912979	/nfs/dbraw/zinc/91/29/79/398912979.db2.gz	WFUGBXMIDFMOQL-KRWDZBQOSA-N	0	3	311.429	2.935	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000147742885	398913291	/nfs/dbraw/zinc/91/32/91/398913291.db2.gz	ICEFEFVQNHBRSR-UKRRQHHQSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1ccccc1C(F)(F)CNC(=O)[C@@H](N)CCCCC#N	ZINC000595260188	398914253	/nfs/dbraw/zinc/91/42/53/398914253.db2.gz	WTPFPLFDZJDHEI-AWEZNQCLSA-N	0	3	309.360	2.614	20	30		DFEDHN
Cn1c2cc(CN[C@H]3CCc4ccc(C#N)cc43)ccc2oc1=O	ZINC000599083949	398918844	/nfs/dbraw/zinc/91/88/44/398918844.db2.gz	PGZJAZLJYJWVKU-INIZCTEOSA-N	0	3	319.364	2.780	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H](C)N1	ZINC000599110342	398922458	/nfs/dbraw/zinc/92/24/58/398922458.db2.gz	RIVRDGHNEDTOKI-PHIMTYICSA-N	0	3	300.793	2.946	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1	ZINC000595340823	398924432	/nfs/dbraw/zinc/92/44/32/398924432.db2.gz	IDPHUOQCSAUJRQ-QFIPXVFZSA-N	0	3	312.438	2.970	20	30		DFEDHN
N#Cc1cccc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-]	ZINC000599163992	398931951	/nfs/dbraw/zinc/93/19/51/398931951.db2.gz	HBVXWVYBNRTVIR-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)C[C@@H]1N(C)C	ZINC000595403909	398932710	/nfs/dbraw/zinc/93/27/10/398932710.db2.gz	NFFLZILLUAOMPK-SOUVJXGZSA-N	0	3	309.866	2.882	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(C)(C#N)CC2)C1	ZINC000595427624	398936049	/nfs/dbraw/zinc/93/60/49/398936049.db2.gz	AHGRVOCGUJWZLV-HNNXBMFYSA-N	0	3	305.466	2.897	20	30		DFEDHN
COC(=O)C[C@](C)(NCCc1ccc(C#N)cc1)c1ccccn1	ZINC000595446769	398940701	/nfs/dbraw/zinc/94/07/01/398940701.db2.gz	DXWLVFVLPIZASB-IBGZPJMESA-N	0	3	323.396	2.564	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@H](O)COc1ccccc1C#N	ZINC000599272963	398945676	/nfs/dbraw/zinc/94/56/76/398945676.db2.gz	UJDAJEPCKWVPQT-INIZCTEOSA-N	0	3	314.385	2.802	20	30		DFEDHN
CCc1ccc([C@@H](C)NCC(=O)N(CC)C[C@@H](C)C#N)cc1	ZINC000154934789	398944016	/nfs/dbraw/zinc/94/40/16/398944016.db2.gz	WGAYELLPHMJCNT-LSDHHAIUSA-N	0	3	301.434	2.908	20	30		DFEDHN
CCc1ccc([C@H](C)NCC(=O)N(CC)C[C@H](C)C#N)cc1	ZINC000154935064	398944036	/nfs/dbraw/zinc/94/40/36/398944036.db2.gz	WGAYELLPHMJCNT-CABCVRRESA-N	0	3	301.434	2.908	20	30		DFEDHN
CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599278420	398947512	/nfs/dbraw/zinc/94/75/12/398947512.db2.gz	CRPRBYUYBJSRLD-QGZVFWFLSA-N	0	3	313.445	2.995	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1C#N	ZINC000599294204	398948941	/nfs/dbraw/zinc/94/89/41/398948941.db2.gz	CRZHYCKPWLQYKR-MRXNPFEDSA-N	0	3	321.428	2.784	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@H](Oc3ccccc3)C2)CC1	ZINC000599292867	398949252	/nfs/dbraw/zinc/94/92/52/398949252.db2.gz	JCNOGKSMFRKUNX-WBVHZDCISA-N	0	3	300.402	2.585	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCC[C@H]2c2ccco2)CCOCC1	ZINC000599294888	398949881	/nfs/dbraw/zinc/94/98/81/398949881.db2.gz	SOPQCPYRRYVWPZ-HOTGVXAUSA-N	0	3	318.417	2.878	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCc3sccc3C2)CCOCC1	ZINC000599296417	398949893	/nfs/dbraw/zinc/94/98/93/398949893.db2.gz	RPYBUZSZFUVFPX-HNNXBMFYSA-N	0	3	320.458	2.568	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599300480	398950722	/nfs/dbraw/zinc/95/07/22/398950722.db2.gz	ZVMGTUIDEXBCNM-CRAIPNDOSA-N	0	3	314.429	2.505	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1	ZINC000595504728	398952239	/nfs/dbraw/zinc/95/22/39/398952239.db2.gz	HZVXIBIEJAJDIQ-HUUCEWRRSA-N	0	3	313.511	2.715	20	30		DFEDHN
Cc1nc2c(s1)[C@H](N(C)C[C@@H](O)CC1(C#N)CC1)CCC2	ZINC000599327398	398954234	/nfs/dbraw/zinc/95/42/34/398954234.db2.gz	GUCTZAAANRFBLV-GXTWGEPZSA-N	0	3	305.447	2.816	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000078434629	398955995	/nfs/dbraw/zinc/95/59/95/398955995.db2.gz	CPRKAEMWRYIGPP-LJQANCHMSA-N	0	3	321.424	2.640	20	30		DFEDHN
Cc1cc([C@@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)ccc1F	ZINC000599352604	398958992	/nfs/dbraw/zinc/95/89/92/398958992.db2.gz	DEYMSWZONBTBBO-ZBFHGGJFSA-N	0	3	320.408	2.856	20	30		DFEDHN
CC(C)(NC[C@@H](O)COc1ccccc1C#N)c1cccs1	ZINC000599363036	398963304	/nfs/dbraw/zinc/96/33/04/398963304.db2.gz	NXPDHQPHEZDLGH-CQSZACIVSA-N	0	3	316.426	2.884	20	30		DFEDHN
Cc1ccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)cc1C#N	ZINC000599381828	398968180	/nfs/dbraw/zinc/96/81/80/398968180.db2.gz	QCKHLCVESBKQGS-FQEVSTJZSA-N	0	3	317.392	2.963	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@H](CO)[C@@H](C)c1ccccc1	ZINC000613390235	398969216	/nfs/dbraw/zinc/96/92/16/398969216.db2.gz	ZWCIVWPRBOEYBI-KBXCAEBGSA-N	0	3	310.397	2.821	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc(C#N)c1	ZINC000193010535	200976419	/nfs/dbraw/zinc/97/64/19/200976419.db2.gz	RLGAEYCDVDZWJW-WMLDXEAASA-N	0	3	307.401	2.668	20	30		DFEDHN
COC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000599395370	398973124	/nfs/dbraw/zinc/97/31/24/398973124.db2.gz	HLMAHZICLUAIAN-HUUCEWRRSA-N	0	3	308.809	2.672	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CCC[C@@H]2C#N)CC1	ZINC000599417256	398977013	/nfs/dbraw/zinc/97/70/13/398977013.db2.gz	SXILGHPHHWSNET-DGSCNEQVSA-N	0	3	322.449	2.531	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000599417258	398976861	/nfs/dbraw/zinc/97/68/61/398976861.db2.gz	SXILGHPHHWSNET-NWPKHEMWSA-N	0	3	322.449	2.531	20	30		DFEDHN
Cc1ccc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)cc1C#N	ZINC000599427573	398979695	/nfs/dbraw/zinc/97/96/95/398979695.db2.gz	CSWYPTRUNZIFHE-KDOFPFPSSA-N	0	3	307.397	2.614	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H](c2cccs2)C2(CO)CCC2)CC1	ZINC000599435187	398980989	/nfs/dbraw/zinc/98/09/89/398980989.db2.gz	SLNMKDWKBLYRID-UKRRQHHQSA-N	0	3	320.458	2.596	20	30		DFEDHN
COc1cccc(C2(NC[C@@H](O)CC3(C#N)CC3)CCC2)c1	ZINC000599481350	398992277	/nfs/dbraw/zinc/99/22/77/398992277.db2.gz	KSLPBFLEINYHDQ-HNNXBMFYSA-N	0	3	300.402	2.719	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2Cl)C1	ZINC000595610334	398996775	/nfs/dbraw/zinc/99/67/75/398996775.db2.gz	WOIAPEQLJBKEGM-HOCLYGCPSA-N	0	3	322.836	2.843	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000595610471	398999677	/nfs/dbraw/zinc/99/96/77/398999677.db2.gz	ZGOYLKNZAOLVGY-YOEHRIQHSA-N	0	3	322.836	2.843	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(Cc2cc(C#N)cs2)CC1	ZINC000600209777	399006772	/nfs/dbraw/zinc/00/67/72/399006772.db2.gz	ZPAWDJQENHJDPS-UHFFFAOYSA-N	0	3	319.474	2.697	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(Cl)cc2C#N)C1	ZINC000595630664	399010504	/nfs/dbraw/zinc/01/05/04/399010504.db2.gz	AGRSQVAPYSHLMY-CSMYWGQOSA-N	0	3	322.836	2.867	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000595639931	399014297	/nfs/dbraw/zinc/01/42/97/399014297.db2.gz	DWLYZAORHWCFIN-IRXDYDNUSA-N	0	3	320.481	2.832	20	30		DFEDHN
COc1cc(CNC[C@@](C)(O)C2CCCCC2)ccc1C#N	ZINC000281779653	216538360	/nfs/dbraw/zinc/53/83/60/216538360.db2.gz	SYSZUQXRVUEPQB-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
CCC(C)(C)[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000595642122	399015715	/nfs/dbraw/zinc/01/57/15/399015715.db2.gz	ORGFWLIZNGOAFT-CYBMUJFWSA-N	0	3	308.447	2.746	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c(OC)c1	ZINC000599594941	399025616	/nfs/dbraw/zinc/02/56/16/399025616.db2.gz	CSZLUGVOUSNONE-QWHCGFSZSA-N	0	3	306.406	2.655	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)C#N)N(C)C)cc1	ZINC000079223140	399027301	/nfs/dbraw/zinc/02/73/01/399027301.db2.gz	BLXBEBUQEHXFHT-WMLDXEAASA-N	0	3	316.449	2.653	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccsc1	ZINC000079251065	399028344	/nfs/dbraw/zinc/02/83/44/399028344.db2.gz	KSQAPLJLNJGOGC-ZFWWWQNUSA-N	0	3	322.478	2.932	20	30		DFEDHN
C=CCCSCCNC(=O)Nc1ccc2c(c1)OCCNC2	ZINC000599614508	399030643	/nfs/dbraw/zinc/03/06/43/399030643.db2.gz	SRWDYNOERIGJLK-UHFFFAOYSA-N	0	3	321.446	2.599	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCCCC1	ZINC000057434509	399044367	/nfs/dbraw/zinc/04/43/67/399044367.db2.gz	MTXBVOGXLIJFAG-OWCLPIDISA-N	0	3	305.466	2.943	20	30		DFEDHN
COc1ccc([C@H]2CCN(C[C@@H](O)CC3(C#N)CC3)C2)cc1F	ZINC000599674725	399056435	/nfs/dbraw/zinc/05/64/35/399056435.db2.gz	CBVCKKAHSDTNDN-GJZGRUSLSA-N	0	3	318.392	2.678	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCCCC2)C1	ZINC000595732175	399060705	/nfs/dbraw/zinc/06/07/05/399060705.db2.gz	CRUMZDGDBRXUPV-HOCLYGCPSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000595732242	399061491	/nfs/dbraw/zinc/06/14/91/399061491.db2.gz	DRPGUHPMYDHNQH-WMZOPIPTSA-N	0	3	305.466	2.943	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@@H](C2CCCCC2)C1)C1CC1	ZINC000595738726	399064710	/nfs/dbraw/zinc/06/47/10/399064710.db2.gz	NLVJKJNOMOGQND-QAPCUYQASA-N	0	3	303.450	2.697	20	30		DFEDHN
C/C=C\C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000599690274	399065355	/nfs/dbraw/zinc/06/53/55/399065355.db2.gz	MRVRTBUOIBBPFE-LHRDXKRPSA-N	0	3	311.429	2.853	20	30		DFEDHN
CCC[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000079609432	399065529	/nfs/dbraw/zinc/06/55/29/399065529.db2.gz	PTJOATFIKCTVKU-ZWKOTPCHSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H]1CC[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1	ZINC000595770265	399079233	/nfs/dbraw/zinc/07/92/33/399079233.db2.gz	XCZKJGPZDUFZEC-YOEHRIQHSA-N	0	3	300.402	2.721	20	30		DFEDHN
C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000595779438	399081614	/nfs/dbraw/zinc/08/16/14/399081614.db2.gz	AHJCWDWKFFCNNJ-CABCVRRESA-N	0	3	324.428	2.958	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(OC(F)F)c1	ZINC000595781495	399083022	/nfs/dbraw/zinc/08/30/22/399083022.db2.gz	LGBFSGIVKGTDAO-KBPBESRZSA-N	0	3	308.328	2.553	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COCc2cccc(C)c2)CC1	ZINC000621858954	399095772	/nfs/dbraw/zinc/09/57/72/399095772.db2.gz	MHAWEMARWWNBDM-UHFFFAOYSA-N	0	3	316.445	2.668	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1	ZINC000284339661	335011068	/nfs/dbraw/zinc/01/10/68/335011068.db2.gz	MRRHSCPDRRFGMM-YXJHDRRASA-N	0	3	319.445	2.507	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000275029427	212082429	/nfs/dbraw/zinc/08/24/29/212082429.db2.gz	RVYBMLYAJSUBQR-WBVHZDCISA-N	0	3	301.434	2.724	20	30		DFEDHN
N#Cc1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1	ZINC000275029888	212082547	/nfs/dbraw/zinc/08/25/47/212082547.db2.gz	VVWAALPMJCZERH-UHFFFAOYSA-N	0	3	321.428	2.866	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](O)CC1(C#N)CC1	ZINC000600715089	399121520	/nfs/dbraw/zinc/12/15/20/399121520.db2.gz	RFWPMTBAZUKOLB-QGZVFWFLSA-N	0	3	324.428	2.634	20	30		DFEDHN
C#CC[C@H](NC[C@@H](O)COCc1ccccc1)c1ccccc1	ZINC000271749342	209179932	/nfs/dbraw/zinc/17/99/32/209179932.db2.gz	XECRXJPHXXCYED-UXHICEINSA-N	0	3	309.409	2.918	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(Br)s2)CC1	ZINC000600717004	399123209	/nfs/dbraw/zinc/12/32/09/399123209.db2.gz	IFHUZKXJSGCAFT-VIFPVBQESA-N	0	3	315.236	2.655	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@](C)(C(=O)OC)C2)cc(OC)c1O	ZINC000093813644	193312175	/nfs/dbraw/zinc/31/21/75/193312175.db2.gz	XVQMRJWNJVBKDJ-GOSISDBHSA-N	0	3	319.401	2.514	20	30		DFEDHN
N#CC1(C[C@@H](O)CNC[C@H](c2ccccc2)C(F)(F)F)CC1	ZINC000600733439	399128628	/nfs/dbraw/zinc/12/86/28/399128628.db2.gz	CVOVBFISLSTNOR-ZIAGYGMSSA-N	0	3	312.335	2.977	20	30		DFEDHN
C#CC[C@H](NC[C@H](O)COCc1ccccc1)c1ccccc1	ZINC000271749338	209179727	/nfs/dbraw/zinc/17/97/27/209179727.db2.gz	XECRXJPHXXCYED-PMACEKPBSA-N	0	3	309.409	2.918	20	30		DFEDHN
Cc1cc(CNC[C@H](O)CC2(C#N)CCOCC2)ccc1Cl	ZINC000600735573	399129834	/nfs/dbraw/zinc/12/98/34/399129834.db2.gz	NVTKFQSHPATOLY-OAHLLOKOSA-N	0	3	322.836	2.809	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cc(F)c(Cl)cc2F)CC1	ZINC000600737424	399130379	/nfs/dbraw/zinc/13/03/79/399130379.db2.gz	VHSURSORRYJYRU-JTQLQIEISA-N	0	3	300.736	2.763	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(OC(F)F)c(F)c2)CC1	ZINC000600739523	399131147	/nfs/dbraw/zinc/13/11/47/399131147.db2.gz	QFXLCRYXUDSXLT-NSHDSACASA-N	0	3	314.307	2.571	20	30		DFEDHN
CN(C[C@@H]1CC1(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000595907618	399130979	/nfs/dbraw/zinc/13/09/79/399130979.db2.gz	CDNHFJKADOMXPP-QWHCGFSZSA-N	0	3	303.431	2.703	20	30		DFEDHN
C=CC(C)(C)CCNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000600744217	399132728	/nfs/dbraw/zinc/13/27/28/399132728.db2.gz	LLWFNWPWGCLCRL-UHFFFAOYSA-N	0	3	306.431	2.524	20	30		DFEDHN
C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000181729133	296159595	/nfs/dbraw/zinc/15/95/95/296159595.db2.gz	QWTJWUAVAOGBGW-DNVCBOLYSA-N	0	3	321.424	2.908	20	30		DFEDHN
C[C@H](C(=O)NCCc1ccc(C#N)cc1)[C@@H](N)c1ccccc1	ZINC000595937222	399139287	/nfs/dbraw/zinc/13/92/87/399139287.db2.gz	FMVHNFNAUKTYPO-KBXCAEBGSA-N	0	3	307.397	2.553	20	30		DFEDHN
N#Cc1ccc(CN2CCNC[C@H]2c2ccccc2Cl)o1	ZINC000600770390	399141385	/nfs/dbraw/zinc/14/13/85/399141385.db2.gz	YDZDDXGVDMTLQM-INIZCTEOSA-N	0	3	301.777	2.951	20	30		DFEDHN
N#Cc1cc(-c2cccc(C3(C[NH3+])CCOCC3)c2)ccc1[O-]	ZINC000600780229	399143234	/nfs/dbraw/zinc/14/32/34/399143234.db2.gz	POOGQXPDCQAUKK-UHFFFAOYSA-N	0	3	308.381	2.938	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C#N)c1ccsc1	ZINC000182523302	399144378	/nfs/dbraw/zinc/14/43/78/399144378.db2.gz	GYQXJZXHZDDAQJ-OCCSQVGLSA-N	0	3	308.451	2.590	20	30		DFEDHN
N#CC(C(=O)c1cnn(-c2ccccc2F)c1)c1ccccn1	ZINC000060767253	399143517	/nfs/dbraw/zinc/14/35/17/399143517.db2.gz	FGTJOLJHGJPSLW-CYBMUJFWSA-N	0	3	306.300	2.896	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000182660829	399148347	/nfs/dbraw/zinc/14/83/47/399148347.db2.gz	JDKXMHGVNWNRDQ-KGLIPLIRSA-N	0	3	302.422	2.575	20	30		DFEDHN
C#CC[C@H](NC[C@@H](O)COc1ccccc1F)c1ccccc1	ZINC000271746160	209177074	/nfs/dbraw/zinc/17/70/74/209177074.db2.gz	WMYQJVZJFAVBSI-AEFFLSMTSA-N	0	3	313.372	2.920	20	30		DFEDHN
N#Cc1ccc([C@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1	ZINC000271746251	209176120	/nfs/dbraw/zinc/17/61/20/209176120.db2.gz	DOJFGGDBKOCQAL-GOSISDBHSA-N	0	3	303.365	2.742	20	30		DFEDHN
N#CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC2(CC2)C1	ZINC000600890399	399166727	/nfs/dbraw/zinc/16/67/27/399166727.db2.gz	ZSHXXNUOHFDADV-UHFFFAOYSA-N	0	3	323.440	2.851	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1	ZINC000614166462	399167833	/nfs/dbraw/zinc/16/78/33/399167833.db2.gz	KULZNVAFLXPNEK-KRWDZBQOSA-N	0	3	309.417	2.916	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1	ZINC000614166317	399168268	/nfs/dbraw/zinc/16/82/68/399168268.db2.gz	AZONOIUVZCJVNK-OAHLLOKOSA-N	0	3	313.445	2.965	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1	ZINC000614178448	399170603	/nfs/dbraw/zinc/17/06/03/399170603.db2.gz	DCRIKAYYVCRJIL-QGZVFWFLSA-N	0	3	311.429	2.684	20	30		DFEDHN
C=CCCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000284769729	335016848	/nfs/dbraw/zinc/01/68/48/335016848.db2.gz	SUDQQOCSGXDNBZ-UHFFFAOYSA-N	0	3	302.418	2.742	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)C(C)C	ZINC000596139401	399188207	/nfs/dbraw/zinc/18/82/07/399188207.db2.gz	TWSNZJJAROUMEG-AEFFLSMTSA-N	0	3	318.465	2.630	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1C#N	ZINC000266171584	205156584	/nfs/dbraw/zinc/15/65/84/205156584.db2.gz	RLGKSZYHUHRJEP-KPZWWZAWSA-N	0	3	314.360	2.918	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1c(C#N)cnn1C	ZINC000596155160	399194573	/nfs/dbraw/zinc/19/45/73/399194573.db2.gz	POXBCXFNPFHWTO-YOEHRIQHSA-N	0	3	309.417	2.614	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596154828	399194478	/nfs/dbraw/zinc/19/44/78/399194478.db2.gz	DGUXSQDKXRHGHR-FZMZJTMJSA-N	0	3	300.362	2.812	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2c1nc2ncccc2cc1C#N	ZINC000596159172	399196079	/nfs/dbraw/zinc/19/60/79/399196079.db2.gz	MWTYHJMRXOZYSJ-CVEARBPZSA-N	0	3	307.401	2.564	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)c2ccccc2CC#N)c1	ZINC000600984069	399195554	/nfs/dbraw/zinc/19/55/54/399195554.db2.gz	MYYBCOZXCDSUNZ-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@]2(CC)CO)cc(OC)c1O	ZINC000191956997	335018413	/nfs/dbraw/zinc/01/84/13/335018413.db2.gz	HDTLXQWUWSKMTR-SFHVURJKSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=CCN1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1	ZINC000601113760	399231385	/nfs/dbraw/zinc/23/13/85/399231385.db2.gz	QFZVEIGRKCMMPY-UHFFFAOYSA-N	0	3	312.373	2.627	20	30		DFEDHN
COCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1	ZINC000618779760	399234522	/nfs/dbraw/zinc/23/45/22/399234522.db2.gz	DLJUJIMQOGCPPT-QGZVFWFLSA-N	0	3	302.418	2.725	20	30		DFEDHN
COc1ccccc1C[C@@](C)(CO)NCc1ccc(C#N)cc1	ZINC000601152105	399242610	/nfs/dbraw/zinc/24/26/10/399242610.db2.gz	APNAUUOQFNQBHO-IBGZPJMESA-N	0	3	310.397	2.650	20	30		DFEDHN
CN1CCC(n2cc(NCc3ccc(C#N)s3)cn2)CC1	ZINC000601150092	399241606	/nfs/dbraw/zinc/24/16/06/399241606.db2.gz	UNDLGQCCQVNTGF-UHFFFAOYSA-N	0	3	301.419	2.695	20	30		DFEDHN
CC(C)[C@H]1CN(c2ncc(C#N)c3ccsc32)CCN1C	ZINC000601156225	399243342	/nfs/dbraw/zinc/24/33/42/399243342.db2.gz	UKKJIKVLJXWLDV-CQSZACIVSA-N	0	3	300.431	2.944	20	30		DFEDHN
C#CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000192098666	335025460	/nfs/dbraw/zinc/02/54/60/335025460.db2.gz	QQNFVPUWXJKJDJ-OAHLLOKOSA-N	0	3	304.459	2.880	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC000618847769	399245146	/nfs/dbraw/zinc/24/51/46/399245146.db2.gz	RBZUJDKHOKZTLG-KRWDZBQOSA-N	0	3	314.433	2.527	20	30		DFEDHN
C#CCCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000286302362	335034637	/nfs/dbraw/zinc/03/46/37/335034637.db2.gz	PYKPLRRAJJJNNZ-FQEVSTJZSA-N	0	3	310.441	2.915	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](Oc2ccccc2OC)C1	ZINC000286651591	335036546	/nfs/dbraw/zinc/03/65/46/335036546.db2.gz	ZJQZKPKENSXPFY-JKSUJKDBSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccn2)CC1	ZINC000286855202	335037001	/nfs/dbraw/zinc/03/70/01/335037001.db2.gz	VTMHWJWMXNKNGX-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
CC[C@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)cc1	ZINC000601296070	399271939	/nfs/dbraw/zinc/27/19/39/399271939.db2.gz	OJNBLKHQGHUSAI-INIZCTEOSA-N	0	3	318.417	2.957	20	30		DFEDHN
COCCO[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614923998	399281828	/nfs/dbraw/zinc/28/18/28/399281828.db2.gz	YNRNXWVDFBFDFA-QGZVFWFLSA-N	0	3	302.418	2.725	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000622839268	399285514	/nfs/dbraw/zinc/28/55/14/399285514.db2.gz	NJBNFBKATMVFES-SZMVWBNQSA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601447467	399290503	/nfs/dbraw/zinc/29/05/03/399290503.db2.gz	PZRFJBIMZQIDDG-WBVHZDCISA-N	0	3	323.440	2.707	20	30		DFEDHN
COc1cc(OC)cc(C(=O)C(C#N)c2nc(C)cs2)c1	ZINC000041520063	183196691	/nfs/dbraw/zinc/19/66/91/183196691.db2.gz	QDKGQMRCIIIUIE-CYBMUJFWSA-N	0	3	302.355	2.959	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2Cl)[C@H](C)C1	ZINC000615231844	399315357	/nfs/dbraw/zinc/31/53/57/399315357.db2.gz	GXJYZDJWXVIFFG-BDJLRTHQSA-N	0	3	305.809	2.558	20	30		DFEDHN
Cc1cc(Br)c2c(c1)CCN(C(=O)C(C)C#N)C2	ZINC000601696005	399323214	/nfs/dbraw/zinc/32/32/14/399323214.db2.gz	KTYLXVFRYUZLDI-JTQLQIEISA-N	0	3	307.191	2.802	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNCCN3CCC3)c2)c1	ZINC000344845359	284694119	/nfs/dbraw/zinc/69/41/19/284694119.db2.gz	IYBZBOGVKBXOQS-UHFFFAOYSA-N	0	3	321.424	2.933	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	ZINC000609921202	399336370	/nfs/dbraw/zinc/33/63/70/399336370.db2.gz	YABRKTIVBPGFEM-BIIVOSGPSA-N	0	3	302.218	2.735	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000609920175	399336550	/nfs/dbraw/zinc/33/65/50/399336550.db2.gz	QSHZZHITIQQESE-KGLIPLIRSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC(=O)Nc1ccn([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)n1	ZINC000615446238	399337927	/nfs/dbraw/zinc/33/79/27/399337927.db2.gz	NVNPPVKPSXLNKT-SUMWQHHRSA-N	0	3	323.400	2.721	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCN(C[C@H]2CCCO2)CC1	ZINC000610002601	399338340	/nfs/dbraw/zinc/33/83/40/399338340.db2.gz	WIXCENRNXSZAKR-VQIMIIECSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000610002599	399338580	/nfs/dbraw/zinc/33/85/80/399338580.db2.gz	WIXCENRNXSZAKR-LPHOPBHVSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000284286106	217962168	/nfs/dbraw/zinc/96/21/68/217962168.db2.gz	KBNJSNSEDCULHF-HZUKXOBISA-N	0	3	308.397	2.506	20	30		DFEDHN
C#CCN(C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CC1	ZINC000274027572	211286424	/nfs/dbraw/zinc/28/64/24/211286424.db2.gz	CXFDDDJERBEVOA-CXAGYDPISA-N	0	3	307.821	2.876	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000287261319	335042585	/nfs/dbraw/zinc/04/25/85/335042585.db2.gz	QBVBIXGGPPPTOF-HUUCEWRRSA-N	0	3	323.396	2.662	20	30		DFEDHN
CC[C@@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601812204	399341450	/nfs/dbraw/zinc/34/14/50/399341450.db2.gz	HSTCMDLDBQECKA-SJLPKXTDSA-N	0	3	300.402	2.522	20	30		DFEDHN
CN(C(=O)CCN1CCc2ccccc2C1)[C@@H]1CCC[C@H]1C#N	ZINC000601815886	399342060	/nfs/dbraw/zinc/34/20/60/399342060.db2.gz	FZTYVUWAHWGJGP-FUHWJXTLSA-N	0	3	311.429	2.585	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2CC#N)CCN1C	ZINC000610178131	399345607	/nfs/dbraw/zinc/34/56/07/399345607.db2.gz	QQLXHGLKPPCTHL-GDBMZVCRSA-N	0	3	324.428	2.720	20	30		DFEDHN
COC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000610340549	399358030	/nfs/dbraw/zinc/35/80/30/399358030.db2.gz	OZKLQRXFKZDUKN-BXKDBHETSA-N	0	3	300.280	2.669	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCC(=O)NC1CCCC1	ZINC000619508353	399355567	/nfs/dbraw/zinc/35/55/67/399355567.db2.gz	FIKHSULGDVUYCZ-GOSISDBHSA-N	0	3	311.429	2.974	20	30		DFEDHN
CN(C)Cc1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1	ZINC000601929806	399360185	/nfs/dbraw/zinc/36/01/85/399360185.db2.gz	BXIAPQSNHOBHOM-UHFFFAOYSA-N	0	3	322.412	2.865	20	30		DFEDHN
CN(C)Cc1cccc(NCC(=O)NC2(C#N)CCCCC2)c1	ZINC000601931026	399360605	/nfs/dbraw/zinc/36/06/05/399360605.db2.gz	ICPAFNGMDOTYFP-UHFFFAOYSA-N	0	3	314.433	2.503	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNCCn2ccnc2)cc1OC	ZINC000623338520	399365954	/nfs/dbraw/zinc/36/59/54/399365954.db2.gz	DAYSOLOZHVQYCI-UHFFFAOYSA-N	0	3	321.808	2.900	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CC2(C1)CCCCC2	ZINC000601956729	399368734	/nfs/dbraw/zinc/36/87/34/399368734.db2.gz	HLUIWQAAEKRUOG-INIZCTEOSA-N	0	3	300.402	2.564	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC(C3CCCCC3)C2)CCOCC1	ZINC000601957886	399368928	/nfs/dbraw/zinc/36/89/28/399368928.db2.gz	JKQHXHFQRLIXAQ-KRWDZBQOSA-N	0	3	306.450	2.570	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610467036	399369984	/nfs/dbraw/zinc/36/99/84/399369984.db2.gz	CAFLWDUAMDCGHC-INIZCTEOSA-N	0	3	324.428	2.721	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000601970078	399371248	/nfs/dbraw/zinc/37/12/48/399371248.db2.gz	XCZRLPYXRMKYOM-WQVCFCJDSA-N	0	3	324.371	2.685	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccsc2C(F)(F)F)CC1	ZINC000601967458	399371646	/nfs/dbraw/zinc/37/16/46/399371646.db2.gz	JLRWIYOHVAOTFE-JTQLQIEISA-N	0	3	304.337	2.911	20	30		DFEDHN
Cc1cnn([C@H]2CCCN(CCOc3ccccc3C#N)C2)c1	ZINC000105901615	194164497	/nfs/dbraw/zinc/16/44/97/194164497.db2.gz	WQBFSKJLQJJJAY-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)C1	ZINC000619673444	399374912	/nfs/dbraw/zinc/37/49/12/399374912.db2.gz	KXTBRLPAGMULGF-LXTVHRRPSA-N	0	3	312.335	2.803	20	30		DFEDHN
COC[C@@H](C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000619715833	399381815	/nfs/dbraw/zinc/38/18/15/399381815.db2.gz	CLQCKMIINMXAMJ-CYBMUJFWSA-N	0	3	323.824	2.520	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(C#N)c1)N(C)Cc1ccccc1	ZINC000110348655	194323702	/nfs/dbraw/zinc/32/37/02/194323702.db2.gz	RKUUQSHVHHAIKT-OAHLLOKOSA-N	0	3	307.397	2.809	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000287522566	335044519	/nfs/dbraw/zinc/04/45/19/335044519.db2.gz	VIPQMAFUYUETDI-RTBURBONSA-N	0	3	310.441	2.612	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CCC2	ZINC000610735941	399399533	/nfs/dbraw/zinc/39/95/33/399399533.db2.gz	PDCDACQHTROCGI-KRWDZBQOSA-N	0	3	311.429	2.639	20	30		DFEDHN
CN(CC(=O)NCc1ccc(C#N)c(Cl)c1)CC(C)(C)C	ZINC000602152419	399402399	/nfs/dbraw/zinc/40/23/99/399402399.db2.gz	UOTFXYSMDYEWBB-UHFFFAOYSA-N	0	3	307.825	2.806	20	30		DFEDHN
COC(=O)C[C@@H]1CCCCN1CCCOc1cccc(C#N)c1	ZINC000610786265	399405891	/nfs/dbraw/zinc/40/58/91/399405891.db2.gz	GNQGFXYTCDQZDA-INIZCTEOSA-N	0	3	316.401	2.745	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000610877526	399414896	/nfs/dbraw/zinc/41/48/96/399414896.db2.gz	LVVQCZDJCFLUKM-YGRLFVJLSA-N	0	3	306.797	2.673	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NCCCCN2C[C@@H](C)O[C@H](C)C2)n1	ZINC000269046438	207194833	/nfs/dbraw/zinc/19/48/33/207194833.db2.gz	ORRPKYOZCISXFL-HZPDHXFCSA-N	0	3	316.449	2.871	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(c2ncnc3sccc32)CC1	ZINC000602437140	399444448	/nfs/dbraw/zinc/44/44/48/399444448.db2.gz	VMQGOMCIOZMGCH-CYBMUJFWSA-N	0	3	315.446	2.753	20	30		DFEDHN
C[C@H](CCC#N)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000602437955	399444374	/nfs/dbraw/zinc/44/43/74/399444374.db2.gz	ZSQQDCWHIVKFPG-CQSZACIVSA-N	0	3	315.417	2.983	20	30		DFEDHN
N#Cc1ccc(N2CCN(CC3CCSCC3)CC2)c(F)c1	ZINC000602450959	399447995	/nfs/dbraw/zinc/44/79/95/399447995.db2.gz	MQDANPXFIYKSDS-UHFFFAOYSA-N	0	3	319.449	2.963	20	30		DFEDHN
C[C@H](CCC#N)CN1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000602439625	399445446	/nfs/dbraw/zinc/44/54/46/399445446.db2.gz	GMCZSPOFZDDMJF-OAHLLOKOSA-N	0	3	317.408	2.913	20	30		DFEDHN
CCc1nsc(N2CCCN(C[C@H](C)CCC#N)CC2)n1	ZINC000602481045	399458265	/nfs/dbraw/zinc/45/82/65/399458265.db2.gz	DQQJOICTASQVTA-CYBMUJFWSA-N	0	3	307.467	2.552	20	30		DFEDHN
C[C@@H](CCC#N)CNc1cccc(CN2CCC(O)CC2)c1	ZINC000602486637	399459805	/nfs/dbraw/zinc/45/98/05/399459805.db2.gz	FSBBFUWCJWTLQD-HNNXBMFYSA-N	0	3	301.434	2.995	20	30		DFEDHN
N#Cc1cccc(CNc2ccc(CN3CCC(O)CC3)cc2)n1	ZINC000602489735	399460750	/nfs/dbraw/zinc/46/07/50/399460750.db2.gz	OAMNETDDQDOILX-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
COc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1OC	ZINC000602517599	399466206	/nfs/dbraw/zinc/46/62/06/399466206.db2.gz	HEILHRSKIOEFNX-CQSZACIVSA-N	0	3	318.417	2.892	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1cccc2c1OCO2	ZINC000602517965	399466600	/nfs/dbraw/zinc/46/66/00/399466600.db2.gz	IJJJCJAGCGNILV-ZDUSSCGKSA-N	0	3	302.374	2.604	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1	ZINC000602529184	399468797	/nfs/dbraw/zinc/46/87/97/399468797.db2.gz	FLXRTCOZBWRYCE-BBRMVZONSA-N	0	3	321.371	2.692	20	30		DFEDHN
CC(C)CN(Cc1ccccc1F)C(=O)[C@@H](N)CCCC#N	ZINC000602526903	399467709	/nfs/dbraw/zinc/46/77/09/399467709.db2.gz	GUCYHSDXGQIXCH-INIZCTEOSA-N	0	3	305.397	2.831	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCNC(=O)c1ccco1	ZINC000611390452	399469705	/nfs/dbraw/zinc/46/97/05/399469705.db2.gz	BGNMLYZIFXNZPO-INIZCTEOSA-N	0	3	309.369	2.548	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000611405195	399471745	/nfs/dbraw/zinc/47/17/45/399471745.db2.gz	KCXXUFHEGBOUBC-CVEARBPZSA-N	0	3	305.418	2.844	20	30		DFEDHN
CCCN(C)c1ccccc1NC(=O)[C@H](N)CCCCC#N	ZINC000602571029	399478549	/nfs/dbraw/zinc/47/85/49/399478549.db2.gz	VTWYINIUPMQJSU-CQSZACIVSA-N	0	3	302.422	2.883	20	30		DFEDHN
C[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CN1Cc1ccccc1	ZINC000602569247	399478781	/nfs/dbraw/zinc/47/87/81/399478781.db2.gz	PVSTWNBICFWRQZ-DNVCBOLYSA-N	0	3	306.413	2.706	20	30		DFEDHN
CN(C)[C@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1	ZINC000602566292	399478187	/nfs/dbraw/zinc/47/81/87/399478187.db2.gz	XDCQSMANTAWBTG-QGZVFWFLSA-N	0	3	314.820	2.999	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)c1ccc3c(c1)CNC3)C2	ZINC000602577386	399480797	/nfs/dbraw/zinc/48/07/97/399480797.db2.gz	SOCDAIXBBKBUHM-UHFFFAOYSA-N	0	3	317.392	2.554	20	30		DFEDHN
CCO[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000611517665	399486266	/nfs/dbraw/zinc/48/62/66/399486266.db2.gz	BVGUHJSBNOTMPZ-SFHVURJKSA-N	0	3	324.428	2.960	20	30		DFEDHN
N#CCC1CCN(Cc2ccccc2OCCCCO)CC1	ZINC000602597883	399487351	/nfs/dbraw/zinc/48/73/51/399487351.db2.gz	TUYZWQSWWPKJNC-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(Cc2ccc(O)cc2)CC1	ZINC000611526192	399487975	/nfs/dbraw/zinc/48/79/75/399487975.db2.gz	CCUPIDNAGJTQIJ-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
CN(C)CCOc1ccc(CN2CCC(C)(C#N)CC2)cc1	ZINC000611561433	399491862	/nfs/dbraw/zinc/49/18/62/399491862.db2.gz	VQTPUGGCHOZXSJ-UHFFFAOYSA-N	0	3	301.434	2.753	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)NCC(C)(C)C#N)N(C)C)cc1	ZINC000611622892	399500399	/nfs/dbraw/zinc/50/03/99/399500399.db2.gz	DFHJCSPZXACGIF-INIZCTEOSA-N	0	3	316.449	2.701	20	30		DFEDHN
CC(C)(C#N)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000611623045	399500401	/nfs/dbraw/zinc/50/04/01/399500401.db2.gz	ZUAIZXFAVQICLP-ZDUSSCGKSA-N	0	3	320.462	2.734	20	30		DFEDHN
CCC[C@H](CN(CCN(C)C)Cc1ccc(C#N)cc1)OC	ZINC000602659668	399505980	/nfs/dbraw/zinc/50/59/80/399505980.db2.gz	QREUYROXKVKHOJ-GOSISDBHSA-N	0	3	303.450	2.737	20	30		DFEDHN
COC(=O)c1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1	ZINC000602658613	399506019	/nfs/dbraw/zinc/50/60/19/399506019.db2.gz	FUBDPGSQKBCYQJ-AWEZNQCLSA-N	0	3	316.401	2.662	20	30		DFEDHN
C[C@@H](CCC#N)CNCc1ccncc1OC[C@@H]1CCOC1	ZINC000602660928	399507636	/nfs/dbraw/zinc/50/76/36/399507636.db2.gz	BKMUAHVTCJLFPJ-LSDHHAIUSA-N	0	3	303.406	2.526	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1ccccc1	ZINC000287791701	335048007	/nfs/dbraw/zinc/04/80/07/335048007.db2.gz	BKPVUYKMDAEFQC-DOTOQJQBSA-N	0	3	301.434	2.681	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1ccccc1	ZINC000287793277	335048102	/nfs/dbraw/zinc/04/81/02/335048102.db2.gz	BKPVUYKMDAEFQC-WBVHZDCISA-N	0	3	301.434	2.681	20	30		DFEDHN
N#Cc1cccc(CNC[C@H]2CCN(c3ccccc3F)C2)n1	ZINC000602678921	399517078	/nfs/dbraw/zinc/51/70/78/399517078.db2.gz	ZQWFLEYULQETSZ-CQSZACIVSA-N	0	3	310.376	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)OCc2ccccc2C)CC1	ZINC000625322394	399520675	/nfs/dbraw/zinc/52/06/75/399520675.db2.gz	FWKYEDATPDPYIU-INIZCTEOSA-N	0	3	316.445	2.667	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NCCCN(C)Cc1ccccc1)OCC	ZINC000270109582	208166371	/nfs/dbraw/zinc/16/63/71/208166371.db2.gz	JEKOJQWPDWBMDL-SFHVURJKSA-N	0	3	318.461	2.996	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)[C@]12CCCO2	ZINC000602701412	399528015	/nfs/dbraw/zinc/52/80/15/399528015.db2.gz	RIPUWGXZQWSOHL-RCCFBDPRSA-N	0	3	300.402	2.569	20	30		DFEDHN
CC(C)[C@@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C	ZINC000602705714	399530390	/nfs/dbraw/zinc/53/03/90/399530390.db2.gz	ONYGWMLIWUUFOE-OAHLLOKOSA-N	0	3	303.406	2.657	20	30		DFEDHN
COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2)cc1C#N	ZINC000270251254	208314080	/nfs/dbraw/zinc/31/40/80/208314080.db2.gz	GBBAPOXZEDJCTE-SFHVURJKSA-N	0	3	314.360	2.703	20	30		DFEDHN
N#Cc1cccc(CNCCc2cccc3c2OC(F)(F)O3)n1	ZINC000602719665	399537345	/nfs/dbraw/zinc/53/73/45/399537345.db2.gz	DXOWTJSKNGOSOK-UHFFFAOYSA-N	0	3	317.295	2.607	20	30		DFEDHN
CCC[C@H](CNC1(c2cccc(C#N)c2)CCOCC1)OC	ZINC000602718610	399537757	/nfs/dbraw/zinc/53/77/57/399537757.db2.gz	SKBXXXLQDIBLLS-QGZVFWFLSA-N	0	3	302.418	2.969	20	30		DFEDHN
C=C(C)C[C@H](N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)OC	ZINC000602733659	399547105	/nfs/dbraw/zinc/54/71/05/399547105.db2.gz	KLYSMFCXHCUVSX-NJAFHUGGSA-N	0	3	316.445	2.919	20	30		DFEDHN
COC(=O)c1cc(C2CCN(C[C@H](C)CCC#N)CC2)no1	ZINC000602748803	399555165	/nfs/dbraw/zinc/55/51/65/399555165.db2.gz	UPWQYXJXSPLMSQ-GFCCVEGCSA-N	0	3	305.378	2.580	20	30		DFEDHN
CCN(C[C@H]1CCN(CC2(CC#N)CC2)C1)CC(F)(F)F	ZINC000602778499	399567977	/nfs/dbraw/zinc/56/79/77/399567977.db2.gz	LYTHKSCFDAOGBJ-CYBMUJFWSA-N	0	3	303.372	2.886	20	30		DFEDHN
Cc1cnc(CCN(C)CCOc2cccc(C#N)c2)s1	ZINC000157585242	197200227	/nfs/dbraw/zinc/20/02/27/197200227.db2.gz	ODAXLBCVTJJFNC-UHFFFAOYSA-N	0	3	301.415	2.877	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000620737290	399580253	/nfs/dbraw/zinc/58/02/53/399580253.db2.gz	OAWKOAPYFIFDGL-GOSISDBHSA-N	0	3	316.445	2.608	20	30		DFEDHN
CN1C(=O)C[C@@H](NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1	ZINC000602820906	399588899	/nfs/dbraw/zinc/58/88/99/399588899.db2.gz	NDQJYLFYWITUFR-ZBFHGGJFSA-N	0	3	317.820	2.895	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@H](Cn3cncn3)C2)c1	ZINC000156751669	197138050	/nfs/dbraw/zinc/13/80/50/197138050.db2.gz	SVIPFQFTAQZQDG-INIZCTEOSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=C(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000156773896	197139414	/nfs/dbraw/zinc/13/94/14/197139414.db2.gz	OTOUIMPKEIZTEK-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCS[C@H]3CCCC[C@@H]32)cc1	ZINC000156680992	197132758	/nfs/dbraw/zinc/13/27/58/197132758.db2.gz	TYMGDAVIRUJZID-ULQDDVLXSA-N	0	3	302.443	2.952	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288133337	335053129	/nfs/dbraw/zinc/05/31/29/335053129.db2.gz	IRQDLBYSHUEOOJ-SJLPKXTDSA-N	0	3	316.445	2.748	20	30		DFEDHN
N#CCC1(CN[C@H](c2ccccc2)C2(CO)CCOCC2)CC1	ZINC000602844408	399598713	/nfs/dbraw/zinc/59/87/13/399598713.db2.gz	OWACJVNRBONHDH-QGZVFWFLSA-N	0	3	314.429	2.800	20	30		DFEDHN
CCCN(CC#Cc1ccc(OC(F)(F)F)cc1)CCO	ZINC000156132286	197088590	/nfs/dbraw/zinc/08/85/90/197088590.db2.gz	KOMRKZPXEJKGQN-UHFFFAOYSA-N	0	3	301.308	2.641	20	30		DFEDHN
C#CCCCCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000155079179	197019649	/nfs/dbraw/zinc/01/96/49/197019649.db2.gz	UQMWUSGFWGUIFV-UHFFFAOYSA-N	0	3	313.445	2.707	20	30		DFEDHN
CC#CCCN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000155105265	197022771	/nfs/dbraw/zinc/02/27/71/197022771.db2.gz	ZUVLYBNTQHSHRD-UHFFFAOYSA-N	0	3	316.420	2.876	20	30		DFEDHN
C[C@H](CCN1C[C@H](C)N(CC#N)[C@@H](C)C1)OCc1ccccc1	ZINC000602853037	399603895	/nfs/dbraw/zinc/60/38/95/399603895.db2.gz	GAVUKDKTXAAWSE-OKZBNKHCSA-N	0	3	315.461	2.900	20	30		DFEDHN
CN(CCCNC(=O)c1sccc1C#N)Cc1ccccc1	ZINC000052029219	542445687	/nfs/dbraw/zinc/44/56/87/542445687.db2.gz	DMXXXEURWOUOGW-UHFFFAOYSA-N	0	3	313.426	2.872	20	30		DFEDHN
C=CC[C@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)C1	ZINC000625700118	399616070	/nfs/dbraw/zinc/61/60/70/399616070.db2.gz	HTZGBRLVWNTOPB-HNNXBMFYSA-N	0	3	323.458	2.757	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2OC)C1	ZINC000625702092	399616852	/nfs/dbraw/zinc/61/68/52/399616852.db2.gz	SNKNEEUAXLVALM-CABCVRRESA-N	0	3	302.418	2.770	20	30		DFEDHN
Cc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C#N	ZINC000602891798	399617246	/nfs/dbraw/zinc/61/72/46/399617246.db2.gz	PFXWGWUXNBMEDD-ZWKOTPCHSA-N	0	3	314.429	2.667	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@H](C)[C@H](N)c1ccccc1	ZINC000152968663	196839842	/nfs/dbraw/zinc/83/98/42/196839842.db2.gz	DBOOPLXCWROBRP-YPMHNXCESA-N	0	3	300.324	2.899	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(c2ccc(F)cn2)CC1	ZINC000602902469	399621075	/nfs/dbraw/zinc/62/10/75/399621075.db2.gz	CAINWFAHYBNDGW-HNNXBMFYSA-N	0	3	305.397	2.701	20	30		DFEDHN
N#Cc1ccc(C2CCN(Cc3ccc(CO)cc3)CC2)nc1	ZINC000602907444	399622367	/nfs/dbraw/zinc/62/23/67/399622367.db2.gz	LVANNQWSKQAIAO-UHFFFAOYSA-N	0	3	307.397	2.825	20	30		DFEDHN
COc1ccc(CN(CCN(C)C)Cc2ccco2)cc1C#N	ZINC000289525749	221040632	/nfs/dbraw/zinc/04/06/32/221040632.db2.gz	VSTZLTAWHBLYPC-UHFFFAOYSA-N	0	3	313.401	2.724	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@](C)(CC)c1ccc(F)cc1	ZINC000602925858	399630019	/nfs/dbraw/zinc/63/00/19/399630019.db2.gz	ZNGUGJVOTFDLBA-KRWDZBQOSA-N	0	3	305.397	2.803	20	30		DFEDHN
CCN1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C	ZINC000617214882	399630979	/nfs/dbraw/zinc/63/09/79/399630979.db2.gz	LCJGKEVOZJZBBX-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
Cc1[nH]ncc1CN(C)Cc1ccc(C#N)cc1Br	ZINC000602943058	399634810	/nfs/dbraw/zinc/63/48/10/399634810.db2.gz	NXCSMIMGSJABOM-UHFFFAOYSA-N	0	3	319.206	2.984	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(Oc3ccccc3F)CC2)CC1	ZINC000602949067	399636410	/nfs/dbraw/zinc/63/64/10/399636410.db2.gz	UOROBKQIXQRRQI-CQSZACIVSA-N	0	3	318.392	2.724	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CCC(CCF)CC2)cc1	ZINC000602952028	399637113	/nfs/dbraw/zinc/63/71/13/399637113.db2.gz	XKBIJALVFYKERN-QGZVFWFLSA-N	0	3	320.408	2.564	20	30		DFEDHN
COCC(C)(C)N1CCN(Cc2ccc(Cl)cc2C#N)CC1	ZINC000425500350	269724624	/nfs/dbraw/zinc/72/46/24/269724624.db2.gz	AWJMUVFSQRLQHA-UHFFFAOYSA-N	0	3	321.852	2.754	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1cccs1	ZINC000612494228	399662794	/nfs/dbraw/zinc/66/27/94/399662794.db2.gz	BJKSSSGVZWIQPM-UKRRQHHQSA-N	0	3	316.426	2.905	20	30		DFEDHN
N#Cc1cnn(-c2ccccc2)c1N1CC[C@H](N2CCCCC2)C1	ZINC000603294706	399734108	/nfs/dbraw/zinc/73/41/08/399734108.db2.gz	GOCZNBQSLZVTIO-SFHVURJKSA-N	0	3	321.428	2.809	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](CNc2ccccn2)C1	ZINC000121017675	195280236	/nfs/dbraw/zinc/28/02/36/195280236.db2.gz	VQXAMZALOXJZEK-MRXNPFEDSA-N	0	3	322.412	2.896	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(F)cc2C#N)CCN1CCOC	ZINC000121755337	195341690	/nfs/dbraw/zinc/34/16/90/195341690.db2.gz	JVBJQDPFGIFVNZ-GOSISDBHSA-N	0	3	319.424	2.630	20	30		DFEDHN
N#Cc1c(-n2cccc2)cccc1N1CC[C@H](N2CC=CC2)C1	ZINC000603302539	399737688	/nfs/dbraw/zinc/73/76/88/399737688.db2.gz	GPORPNGZHOELFI-INIZCTEOSA-N	0	3	304.397	2.799	20	30		DFEDHN
C#Cc1ccc(CN2CCC(N(C)c3ccc(C)nn3)CC2)cc1	ZINC000289389639	335062720	/nfs/dbraw/zinc/06/27/20/335062720.db2.gz	QUJRQQPPHWSWMC-UHFFFAOYSA-N	0	3	320.440	2.867	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1Nc1cc(C#N)c(Br)cn1	ZINC000603308307	399739218	/nfs/dbraw/zinc/73/92/18/399739218.db2.gz	GRPYZJKDNOXXBG-ZANVPECISA-N	0	3	321.222	2.610	20	30		DFEDHN
CCN(C)CCNC(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000603307125	399739585	/nfs/dbraw/zinc/73/95/85/399739585.db2.gz	UFWHKYNQFNMVFX-UHFFFAOYSA-N	0	3	306.409	2.768	20	30		DFEDHN
C[C@H]1C[C@H](Nc2c(C#N)cnn2-c2ccccc2)CN1C1CC1	ZINC000603307977	399739701	/nfs/dbraw/zinc/73/97/01/399739701.db2.gz	DQUNARXOXQJUHJ-ZFWWWQNUSA-N	0	3	307.401	2.781	20	30		DFEDHN
C#Cc1ccccc1CC(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000289472945	335063914	/nfs/dbraw/zinc/06/39/14/335063914.db2.gz	DOYAENKQALENON-UHFFFAOYSA-N	0	3	322.408	2.790	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2ncc(Br)cc2C#N)CN1C1CC1	ZINC000297509275	533664123	/nfs/dbraw/zinc/66/41/23/533664123.db2.gz	NQMGRKBOHOPPKP-BXKDBHETSA-N	0	3	321.222	2.753	20	30		DFEDHN
C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(Br)cc1	ZINC000289567995	335064400	/nfs/dbraw/zinc/06/44/00/335064400.db2.gz	SHLJVMQKPCTPTC-GHMZBOCLSA-N	0	3	309.207	2.778	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000280685578	130813058	/nfs/dbraw/zinc/81/30/58/130813058.db2.gz	RBUAGLZTOXSWBX-CJNGLKHVSA-N	0	3	323.396	2.853	20	30		DFEDHN
Cc1cc(F)ccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000156636725	542703245	/nfs/dbraw/zinc/70/32/45/542703245.db2.gz	HLKZIMCLKSSJNM-AWEZNQCLSA-N	0	3	312.348	2.942	20	30		DFEDHN
C=C(C)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000613065848	399786887	/nfs/dbraw/zinc/78/68/87/399786887.db2.gz	FLMLZNGOYUTFDY-UHFFFAOYSA-N	0	3	315.377	2.559	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000181055758	542787818	/nfs/dbraw/zinc/78/78/18/542787818.db2.gz	MWUXQJVRRWPFJW-INIZCTEOSA-N	0	3	301.434	2.891	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cccc(F)c2F)CC1	ZINC000632987038	399817319	/nfs/dbraw/zinc/81/73/19/399817319.db2.gz	WCAVYQZBGNLLQJ-UHFFFAOYSA-N	0	3	323.387	2.805	20	30		DFEDHN
C=C[C@H](CO)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21	ZINC000289961542	335067501	/nfs/dbraw/zinc/06/75/01/335067501.db2.gz	WYAAVRSNRJJBTG-WQVCFCJDSA-N	0	3	318.417	2.834	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@H]1CCCOC1	ZINC000626392928	399843116	/nfs/dbraw/zinc/84/31/16/399843116.db2.gz	KANQVXUYLTYJRD-GOEBONIOSA-N	0	3	324.384	2.737	20	30		DFEDHN
C=CCN(CCOC1CCOCC1)Cc1ccc(OC)cc1	ZINC000625105489	399846243	/nfs/dbraw/zinc/84/62/43/399846243.db2.gz	DKWJBWVRAAZTPS-UHFFFAOYSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC2(CC1)OCCc1ccsc12	ZINC000352763973	543232530	/nfs/dbraw/zinc/23/25/30/543232530.db2.gz	SYDHFDZHCJMWLL-OAHLLOKOSA-N	0	3	307.459	2.939	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC(C)(C)C#N	ZINC000358617725	543268523	/nfs/dbraw/zinc/26/85/23/543268523.db2.gz	MDGZLJPHZMHILG-UHFFFAOYSA-N	0	3	316.449	2.746	20	30		DFEDHN
COc1cc(CN(C)CCOc2cccc(C#N)c2)ccc1O	ZINC000170915641	145255469	/nfs/dbraw/zinc/25/54/69/145255469.db2.gz	XXJVQWXCHLIEBW-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1ccncc1Br	ZINC000631125158	399985529	/nfs/dbraw/zinc/98/55/29/399985529.db2.gz	ALAKDRYRZIYCII-GXTWGEPZSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=CCCC(C)(C)CNCc1c(C)nn(C)c1N1CCOCC1	ZINC000631216814	400006397	/nfs/dbraw/zinc/00/63/97/400006397.db2.gz	BMHSDCWLQBNLPM-UHFFFAOYSA-N	0	3	320.481	2.647	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN(C)CCN(C)C)cc1OC	ZINC000628277132	400012257	/nfs/dbraw/zinc/01/22/57/400012257.db2.gz	DNIPWHQDDXDVQU-UHFFFAOYSA-N	0	3	312.841	2.907	20	30		DFEDHN
CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](N)CCCC#N	ZINC000424090733	543342189	/nfs/dbraw/zinc/34/21/89/543342189.db2.gz	LAAYWHXZSQRECK-CYBMUJFWSA-N	0	3	313.323	2.685	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CCOCC2)[nH]1	ZINC000631695372	400067550	/nfs/dbraw/zinc/06/75/50/400067550.db2.gz	JGJQEWNHABAPSS-HIFRSBDPSA-N	0	3	304.438	2.923	20	30		DFEDHN
C[C@H](CN1CCCCC1)Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443509444	543357686	/nfs/dbraw/zinc/35/76/86/543357686.db2.gz	LGGYNRNBTHEZJD-LLVKDONJSA-N	0	3	312.339	3.258	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000250299000	146211582	/nfs/dbraw/zinc/21/15/82/146211582.db2.gz	KUDRNATUMXPQLF-JTDSTZFVSA-N	0	3	313.445	2.632	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491678306	543407230	/nfs/dbraw/zinc/40/72/30/543407230.db2.gz	SZWIBXSJSIGUBG-INIZCTEOSA-N	0	3	308.784	2.659	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)CN(C)C	ZINC000354571721	147083121	/nfs/dbraw/zinc/08/31/21/147083121.db2.gz	FVIKZNIEWCWUFZ-SNVBAGLBSA-N	0	3	301.415	2.761	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2C[C@@H](F)CN2Cc2cccs2)o1	ZINC000354863742	147183387	/nfs/dbraw/zinc/18/33/87/147183387.db2.gz	JUPHHMQUQMZDFM-OLZOCXBDSA-N	0	3	319.405	2.915	20	30		DFEDHN
CCOC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1c1cnn(C)c1	ZINC000585655571	543461068	/nfs/dbraw/zinc/46/10/68/543461068.db2.gz	CEHKFUAIZNEPBS-OALUTQOASA-N	0	3	324.428	2.544	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCOCC3CC3)CC2)cc1	ZINC000357604857	148054394	/nfs/dbraw/zinc/05/43/94/148054394.db2.gz	ULILBBIGIGSANT-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
Cc1cnn(CC2CCN(CCOc3cccc(C#N)c3)CC2)c1	ZINC000357836237	148143517	/nfs/dbraw/zinc/14/35/17/148143517.db2.gz	AFASXEXAZHTJKF-UHFFFAOYSA-N	0	3	324.428	2.854	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cnnn2)cc1	ZINC000357996156	148203554	/nfs/dbraw/zinc/20/35/54/148203554.db2.gz	QDMGQJRWKSUWCT-UONOGXRCSA-N	0	3	318.384	2.946	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)CN(C)C	ZINC000358494672	148378560	/nfs/dbraw/zinc/37/85/60/148378560.db2.gz	CETAVOAVEWAOFP-HNNXBMFYSA-N	0	3	316.449	2.676	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000359808002	148757087	/nfs/dbraw/zinc/75/70/87/148757087.db2.gz	XNWGTFUCYXBUJX-GFCCVEGCSA-N	0	3	322.380	2.839	20	30		DFEDHN
COc1cnccc1N1CCN([C@H](C)c2cccc(C#N)c2)CC1	ZINC000361518447	149137189	/nfs/dbraw/zinc/13/71/89/149137189.db2.gz	JOQUPWZFYDHRAH-OAHLLOKOSA-N	0	3	322.412	2.845	20	30		DFEDHN
Cn1nccc1[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000369260339	149760533	/nfs/dbraw/zinc/76/05/33/149760533.db2.gz	UVQYGUCOYCHEJI-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC1CCN(CCN2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000371293016	150018412	/nfs/dbraw/zinc/01/84/12/150018412.db2.gz	TXIITSBNMATDBM-IBGZPJMESA-N	0	3	313.445	2.663	20	30		DFEDHN
COc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1C#N	ZINC000371799673	150097575	/nfs/dbraw/zinc/09/75/75/150097575.db2.gz	RZZSBAWCWBGMGM-IBGZPJMESA-N	0	3	308.381	2.970	20	30		DFEDHN
Cc1cccc(NC2CCN(Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000372814978	150188750	/nfs/dbraw/zinc/18/87/50/150188750.db2.gz	MEZNOUJHHJOTMH-UHFFFAOYSA-N	0	3	309.417	2.677	20	30		DFEDHN
CCN1CCC(N(C(=O)c2ccc(C)c(C#N)c2)C2CC2)CC1	ZINC000374130502	150309413	/nfs/dbraw/zinc/30/94/13/150309413.db2.gz	QVDWMURRUZRMQZ-UHFFFAOYSA-N	0	3	311.429	2.956	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)ccc1C#N	ZINC000374205268	150321695	/nfs/dbraw/zinc/32/16/95/150321695.db2.gz	OHPPTZUSJZRPPF-HNNXBMFYSA-N	0	3	324.428	2.755	20	30		DFEDHN
CC(C)COCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000374299549	150339197	/nfs/dbraw/zinc/33/91/97/150339197.db2.gz	WIBJTUUYJKVGEL-UHFFFAOYSA-N	0	3	315.461	2.739	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCOCC2(CCOCC2)C1	ZINC000184083514	287131446	/nfs/dbraw/zinc/13/14/46/287131446.db2.gz	LZLMKBKAXRFTFO-HNNXBMFYSA-N	0	3	300.402	2.748	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194413018	335070478	/nfs/dbraw/zinc/07/04/78/335070478.db2.gz	KXEIONKEQGBDEY-QGZVFWFLSA-N	0	3	301.434	2.726	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000054002625	425889045	/nfs/dbraw/zinc/88/90/45/425889045.db2.gz	JUHMRLUNRITVBS-QGZVFWFLSA-N	0	3	308.385	2.983	20	30		DFEDHN
N#Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1	ZINC000132156443	196231723	/nfs/dbraw/zinc/23/17/23/196231723.db2.gz	LWBFQTSDYBPXOM-QGZVFWFLSA-N	0	3	300.402	2.576	20	30		DFEDHN
C=CCc1cc(CN2C[C@H]3COC[C@@]3(C)C2)cc(OC)c1O	ZINC000668596803	543834438	/nfs/dbraw/zinc/83/44/38/543834438.db2.gz	MQSLXSOZYCJJQU-MAUKXSAKSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](C(=O)NC(C)C)C1	ZINC000668732362	543855741	/nfs/dbraw/zinc/85/57/41/543855741.db2.gz	QTWAXZUWSKOEQP-KRWDZBQOSA-N	0	3	316.445	2.988	20	30		DFEDHN
COCC#CCN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000670092263	544022131	/nfs/dbraw/zinc/02/21/31/544022131.db2.gz	UVKPAUSPQRENRQ-QZTJIDSGSA-N	0	3	322.399	2.728	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000671697448	544098583	/nfs/dbraw/zinc/09/85/83/544098583.db2.gz	CINZSNQHSRQAAT-CQSZACIVSA-N	0	3	303.324	2.997	20	30		DFEDHN
COc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1C#N	ZINC000291324888	222315153	/nfs/dbraw/zinc/31/51/53/222315153.db2.gz	TWMZNTIRBPDCLR-HXUWFJFHSA-N	0	3	322.408	2.703	20	30		DFEDHN
C#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000291578138	335081546	/nfs/dbraw/zinc/08/15/46/335081546.db2.gz	OYQMKNSUECNNHS-QGZVFWFLSA-N	0	3	313.445	2.562	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CN(CC)C[C@@H]1C	ZINC000674889523	544274990	/nfs/dbraw/zinc/27/49/90/544274990.db2.gz	QXRIZQAGKAAASA-YOEHRIQHSA-N	0	3	319.424	2.864	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000675496566	544316237	/nfs/dbraw/zinc/31/62/37/544316237.db2.gz	FLDNCUXBSHYXTB-CABCVRRESA-N	0	3	317.351	2.830	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1	ZINC000679174962	544795965	/nfs/dbraw/zinc/79/59/65/544795965.db2.gz	KZYSQARGUACNLM-JKSUJKDBSA-N	0	3	318.465	2.969	20	30		DFEDHN
C=CCOCCNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000679493817	544861326	/nfs/dbraw/zinc/86/13/26/544861326.db2.gz	GNNRKFVSWYYVSK-UHFFFAOYSA-N	0	3	302.418	2.605	20	30		DFEDHN
Cn1cc(CNCc2cccc(C#N)c2)c(-c2cccnc2)n1	ZINC000066971924	425907752	/nfs/dbraw/zinc/90/77/52/425907752.db2.gz	OOIAIRDBOAXOGR-UHFFFAOYSA-N	0	3	303.369	2.644	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1	ZINC000292026411	335085362	/nfs/dbraw/zinc/08/53/62/335085362.db2.gz	TZNXMAMBCFKJIC-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@H](c3cc[nH]n3)C2)c1	ZINC000155628487	425922601	/nfs/dbraw/zinc/92/26/01/425922601.db2.gz	BPFOSPFZKVIYQW-INIZCTEOSA-N	0	3	310.401	2.930	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(C#N)c1C	ZINC000528770809	269931980	/nfs/dbraw/zinc/93/19/80/269931980.db2.gz	ZQZCLQZSIJWQAZ-HFJLCZBOSA-N	0	3	321.446	2.577	20	30		DFEDHN
N#Cc1ccc(CN[C@H](COC(N)=O)Cc2ccccc2)s1	ZINC000497224351	269962086	/nfs/dbraw/zinc/96/20/86/269962086.db2.gz	AZABTLLEOUQPNO-ZDUSSCGKSA-N	0	3	315.398	2.830	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)NC[C@@H](N)c3ccccc3)CC2)c1	ZINC000418423577	269971602	/nfs/dbraw/zinc/97/16/02/269971602.db2.gz	FXOOZRFMCOLETM-QGZVFWFLSA-N	0	3	320.396	2.547	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1	ZINC000421001426	270000655	/nfs/dbraw/zinc/00/06/55/270000655.db2.gz	BHYUKLRQRWCIQD-LJQANCHMSA-N	0	3	310.372	2.877	20	30		DFEDHN
N#Cc1csc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c1	ZINC000421381858	270000781	/nfs/dbraw/zinc/00/07/81/270000781.db2.gz	XEVNJOJSQGRQQB-KRWDZBQOSA-N	0	3	316.401	2.938	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC2(CCC(O)CC2)CC1	ZINC000451149457	270001393	/nfs/dbraw/zinc/00/13/93/270001393.db2.gz	ZWFGHGVUNYJYKC-UHFFFAOYSA-N	0	3	314.429	2.954	20	30		DFEDHN
CN(C)CCN(C(=O)c1ccc(C#N)s1)C1CCCCC1	ZINC000487668127	270002067	/nfs/dbraw/zinc/00/20/67/270002067.db2.gz	QWJDFSKBWSGIKZ-UHFFFAOYSA-N	0	3	305.447	2.956	20	30		DFEDHN
CN(C)[C@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1	ZINC000532423082	270002692	/nfs/dbraw/zinc/00/26/92/270002692.db2.gz	BABXPLICCOUKHZ-CQSZACIVSA-N	0	3	301.781	2.716	20	30		DFEDHN
N#Cc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)c(F)c1	ZINC000533445821	270002990	/nfs/dbraw/zinc/00/29/90/270002990.db2.gz	TUJDUZDSUYITIV-UHFFFAOYSA-N	0	3	315.304	2.774	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000156084857	425932002	/nfs/dbraw/zinc/93/20/02/425932002.db2.gz	CFHFOMUIYGKDNA-CQSZACIVSA-N	0	3	318.421	2.749	20	30		DFEDHN
CC#CCCN1CCC(C(=O)Nc2ccccc2OC)CC1	ZINC000156534493	425934652	/nfs/dbraw/zinc/93/46/52/425934652.db2.gz	ABSFVIJEVSTFDM-UHFFFAOYSA-N	0	3	300.402	2.759	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)cc1	ZINC000124723329	425935929	/nfs/dbraw/zinc/93/59/29/425935929.db2.gz	YPRNILNYYADCLZ-SMDDNHRTSA-N	0	3	323.824	2.781	20	30		DFEDHN
CCCC[C@H](COC)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280321767	266039417	/nfs/dbraw/zinc/03/94/17/266039417.db2.gz	GTWMPZCHLGQODZ-DLBZAZTESA-N	0	3	313.401	2.562	20	30		DFEDHN
CCN(Cc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279572385	266137352	/nfs/dbraw/zinc/13/73/52/266137352.db2.gz	PVMIMEHTSRQFGI-GOSISDBHSA-N	0	3	318.380	2.684	20	30		DFEDHN
CCSCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280649048	266344105	/nfs/dbraw/zinc/34/41/05/266344105.db2.gz	ZZUJWXSYCOJMRR-CZUORRHYSA-N	0	3	315.442	2.888	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H]([C@@H]2CCOC2)C1	ZINC000347288496	266783084	/nfs/dbraw/zinc/78/30/84/266783084.db2.gz	YZQGKEPMUPZMRO-DOTOQJQBSA-N	0	3	300.402	2.815	20	30		DFEDHN
COc1cc(CN[C@@H]2CCCO[C@H]2c2ccncc2)ccc1C#N	ZINC000337262033	266828409	/nfs/dbraw/zinc/82/84/09/266828409.db2.gz	QTUQAZGAVYLQBN-MJGOQNOKSA-N	0	3	323.396	2.972	20	30		DFEDHN
COc1cccc(N2CC[C@@H](NCc3cc(C#N)cs3)C2)c1	ZINC000344061590	266887099	/nfs/dbraw/zinc/88/70/99/266887099.db2.gz	NHAROYFTYCLCPS-CQSZACIVSA-N	0	3	313.426	2.997	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCc1ccc(C#N)cc1	ZINC000341040795	267015277	/nfs/dbraw/zinc/01/52/77/267015277.db2.gz	OSFYFTUQNOYXRP-HZPDHXFCSA-N	0	3	313.445	2.870	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1cccc(C#N)c1	ZINC000341101344	267016492	/nfs/dbraw/zinc/01/64/92/267016492.db2.gz	KWECCKWEIYXUBN-HUUCEWRRSA-N	0	3	314.433	2.620	20	30		DFEDHN
CCC[C@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420608727	267037777	/nfs/dbraw/zinc/03/77/77/267037777.db2.gz	IXWURSNFJYGNNA-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1cc(C#N)[nH]c1C	ZINC000451754444	267064016	/nfs/dbraw/zinc/06/40/16/267064016.db2.gz	CZHDGDFJFPADMX-UHFFFAOYSA-N	0	3	302.422	2.533	20	30		DFEDHN
C[C@@]1(CNC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1	ZINC000153807037	267117109	/nfs/dbraw/zinc/11/71/09/267117109.db2.gz	JJEHMVBXUSFPGI-IBGZPJMESA-N	0	3	322.412	2.671	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000452021580	267145929	/nfs/dbraw/zinc/14/59/29/267145929.db2.gz	VGZATBZKUHWQJG-KCPJHIHWSA-N	0	3	319.405	2.642	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000177899128	267156057	/nfs/dbraw/zinc/15/60/57/267156057.db2.gz	BWPSINFBSGFVEH-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000349252427	267176906	/nfs/dbraw/zinc/17/69/06/267176906.db2.gz	MKJHADNUIRAVLU-BBRMVZONSA-N	0	3	304.353	2.513	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1ncc(C#N)cc1Cl	ZINC000428021455	267201266	/nfs/dbraw/zinc/20/12/66/267201266.db2.gz	IMDAAJWRBYFHFB-CYBMUJFWSA-N	0	3	320.824	2.601	20	30		DFEDHN
CCn1cncc1CNCCSCc1ccccc1C#N	ZINC000417835543	267258865	/nfs/dbraw/zinc/25/88/65/267258865.db2.gz	IDCAEXKMVBJZTK-UHFFFAOYSA-N	0	3	300.431	2.798	20	30		DFEDHN
CN(C(=O)c1c(F)cc(C#N)cc1F)C(C)(C)CN1CCCC1	ZINC000416111380	267277027	/nfs/dbraw/zinc/27/70/27/267277027.db2.gz	VIMBCFKHUGMDBE-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
CN(C)CC(C)(C)NCc1ccc(C#N)cc1Br	ZINC000459550229	267278972	/nfs/dbraw/zinc/27/89/72/267278972.db2.gz	PKQKSPGGSRSEQT-UHFFFAOYSA-N	0	3	310.239	2.751	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000431896737	267288036	/nfs/dbraw/zinc/28/80/36/267288036.db2.gz	SJDXRSXXPQPYEF-GOSISDBHSA-N	0	3	307.397	2.867	20	30		DFEDHN
CN(C)[C@H](CNc1ncc(C#N)cc1F)c1cccc(F)c1	ZINC000413029165	267288708	/nfs/dbraw/zinc/28/87/08/267288708.db2.gz	RDFQVIVHOVPMNK-OAHLLOKOSA-N	0	3	302.328	2.946	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)[C@H](CO)c1ccccc1	ZINC000436254706	267304091	/nfs/dbraw/zinc/30/40/91/267304091.db2.gz	RRMOHHOMFNGNNX-GOSISDBHSA-N	0	3	323.396	2.552	20	30		DFEDHN
Cc1cc(C)n(CCN(C)CCOCc2ccc(C#N)cc2)n1	ZINC000344146408	267323010	/nfs/dbraw/zinc/32/30/10/267323010.db2.gz	PXGLQBLVHRHCDT-UHFFFAOYSA-N	0	3	312.417	2.520	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000447802085	267333498	/nfs/dbraw/zinc/33/34/98/267333498.db2.gz	HCJPRXVRVJAIIF-HNNXBMFYSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000447809423	267334565	/nfs/dbraw/zinc/33/45/65/267334565.db2.gz	YWSLOZIRVVFIJD-HNNXBMFYSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(C#N)c1	ZINC000447894251	267334650	/nfs/dbraw/zinc/33/46/50/267334650.db2.gz	CIQYMUNHDKFNAF-OAHLLOKOSA-N	0	3	300.406	2.800	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)c1ccccc1CN(C)C	ZINC000487576542	267354717	/nfs/dbraw/zinc/35/47/17/267354717.db2.gz	PQUSJVNTRIETIT-UHFFFAOYSA-N	0	3	308.385	2.914	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000030532673	267394021	/nfs/dbraw/zinc/39/40/21/267394021.db2.gz	QFPGKLMLFSCSJE-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
CN(C)C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1	ZINC000027150666	425814470	/nfs/dbraw/zinc/81/44/70/425814470.db2.gz	HOTIDWGNFGHPMS-IBGZPJMESA-N	0	3	321.424	2.910	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1F	ZINC000027208104	425814889	/nfs/dbraw/zinc/81/48/89/425814889.db2.gz	AYEJDACQZJVTFM-MRXNPFEDSA-N	0	3	314.360	2.569	20	30		DFEDHN
COC(=O)[C@](C)(CNCc1cccc(C#N)c1)c1ccccc1	ZINC000191581934	268006502	/nfs/dbraw/zinc/00/65/02/268006502.db2.gz	OKUVTPGVNVQNSU-LJQANCHMSA-N	0	3	308.381	2.779	20	30		DFEDHN
N#Cc1cc(NC(=O)NCCN2CCCCCC2)ccc1F	ZINC000343171893	268009067	/nfs/dbraw/zinc/00/90/67/268009067.db2.gz	JZEIHEBLEQWLLJ-UHFFFAOYSA-N	0	3	304.369	2.695	20	30		DFEDHN
Cc1ccc([C@H](CNc2cncc(C#N)n2)N2CCCC2)cc1	ZINC000519532665	268045935	/nfs/dbraw/zinc/04/59/35/268045935.db2.gz	DKTGHQYZBQKKBQ-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
Cc1ccc([C@H](CNc2cc(C)ncc2C#N)N2CCCC2)o1	ZINC000425228816	268046190	/nfs/dbraw/zinc/04/61/90/268046190.db2.gz	QMRPMSTUAOOYSM-KRWDZBQOSA-N	0	3	310.401	2.834	20	30		DFEDHN
Cc1cccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1	ZINC000452077406	268056534	/nfs/dbraw/zinc/05/65/34/268056534.db2.gz	DOGXPBYCEUKXBI-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCCC[C@H]1C	ZINC000047144055	425868176	/nfs/dbraw/zinc/86/81/76/425868176.db2.gz	IIYZUYJZJPSKNH-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)o1	ZINC000189618997	268073774	/nfs/dbraw/zinc/07/37/74/268073774.db2.gz	YMIFZLNDIGSMJI-GWCFXTLKSA-N	0	3	302.296	2.724	20	30		DFEDHN
N#Cc1ccc(CNCCc2cnccn2)c(C(F)(F)F)c1	ZINC000352836036	268074100	/nfs/dbraw/zinc/07/41/00/268074100.db2.gz	JMAXBUPBKGYKPN-UHFFFAOYSA-N	0	3	306.291	2.699	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)cc1	ZINC000344322074	268075105	/nfs/dbraw/zinc/07/51/05/268075105.db2.gz	XJEVSDVOYYEVMC-DLBZAZTESA-N	0	3	316.351	2.885	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2(C(F)(F)F)CC2)cc1	ZINC000342944652	268084776	/nfs/dbraw/zinc/08/47/76/268084776.db2.gz	SXBJVTBEEYUISP-ZDUSSCGKSA-N	0	3	321.302	2.699	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCc3occc3C2)cc1	ZINC000289684867	268088336	/nfs/dbraw/zinc/08/83/36/268088336.db2.gz	LNRCCVDKLSMULO-QGZVFWFLSA-N	0	3	319.364	2.809	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2(C(F)(F)F)CC2)cc1	ZINC000342944642	268090252	/nfs/dbraw/zinc/09/02/52/268090252.db2.gz	SXBJVTBEEYUISP-CYBMUJFWSA-N	0	3	321.302	2.699	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)nc1	ZINC000349862544	268116411	/nfs/dbraw/zinc/11/64/11/268116411.db2.gz	WOXJVLQOHWOBTG-OALUTQOASA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1ccc(NCC2(O)CCN(Cc3ccccc3)CC2)cc1	ZINC000397554777	268153938	/nfs/dbraw/zinc/15/39/38/268153938.db2.gz	JOKDDJOQOJDZPQ-UHFFFAOYSA-N	0	3	321.424	2.997	20	30		DFEDHN
N#Cc1ccc(C2(NCCOC3CCC3)CCOCC2)cc1	ZINC000528779206	268211575	/nfs/dbraw/zinc/21/15/75/268211575.db2.gz	SGCXQISACVOVSB-UHFFFAOYSA-N	0	3	300.402	2.723	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCc1cccc(-n3cncn3)c1)CC2	ZINC000353249487	268223074	/nfs/dbraw/zinc/22/30/74/268223074.db2.gz	DKBUIRVUKTWHCS-LJQANCHMSA-N	0	3	315.380	2.916	20	30		DFEDHN
N#Cc1ccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(Cl)c1	ZINC000451311242	268224039	/nfs/dbraw/zinc/22/40/39/268224039.db2.gz	YNCHQAHNTNARBC-BFYDXBDKSA-N	0	3	320.820	2.573	20	30		DFEDHN
CCN(CCOc1ccc(C#N)cc1OC)Cc1ccncc1	ZINC000270980537	268244261	/nfs/dbraw/zinc/24/42/61/268244261.db2.gz	FXOOXDXTZJPVFA-UHFFFAOYSA-N	0	3	311.385	2.863	20	30		DFEDHN
CS[C@H]1CN(c2ccc(F)cc2C#N)C[C@H]1N1CCCC1	ZINC000275434491	268260170	/nfs/dbraw/zinc/26/01/70/268260170.db2.gz	JFYRGWYXEVBTBU-CVEARBPZSA-N	0	3	305.422	2.713	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@H](c2ccccc2)C2CC2)C(N)=O)cc1	ZINC000431113123	268262084	/nfs/dbraw/zinc/26/20/84/268262084.db2.gz	RTRUYCACXGLQDM-RTBURBONSA-N	0	3	319.408	2.868	20	30		DFEDHN
N#Cc1ccc([C@H](NCC(C2CCC2)C2CCC2)C(N)=O)cc1	ZINC000530126038	268263480	/nfs/dbraw/zinc/26/34/80/268263480.db2.gz	NTZURISSCQEJLL-SFHVURJKSA-N	0	3	311.429	2.891	20	30		DFEDHN
N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000518982082	268280310	/nfs/dbraw/zinc/28/03/10/268280310.db2.gz	MIBSBJATGDKDRR-INIZCTEOSA-N	0	3	320.396	2.804	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(OC3CCC3)CC2)c1	ZINC000419290437	268284368	/nfs/dbraw/zinc/28/43/68/268284368.db2.gz	VQPKJDLOAOAAGU-UHFFFAOYSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC/C=C/CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000298032573	268311488	/nfs/dbraw/zinc/31/14/88/268311488.db2.gz	GWRCYTKVZVGZMV-AATRIKPKSA-N	0	3	314.433	2.598	20	30		DFEDHN
N#Cc1cnccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	ZINC000363700551	268315799	/nfs/dbraw/zinc/31/57/99/268315799.db2.gz	KOVPVZRVSWYKEQ-APWZRJJASA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1csc(CNCCc2c[nH]c3ccc(F)cc23)n1	ZINC000352829224	268319997	/nfs/dbraw/zinc/31/99/97/268319997.db2.gz	FVTYCUCGCOITHD-UHFFFAOYSA-N	0	3	300.362	2.967	20	30		DFEDHN
COc1cc(NCCNCc2cc(C#N)cs2)cc(OC)c1	ZINC000126074471	426002944	/nfs/dbraw/zinc/00/29/44/426002944.db2.gz	IDKOHKIBKZGYJS-UHFFFAOYSA-N	0	3	317.414	2.839	20	30		DFEDHN
Cc1ccc(NC(=O)C2CCN(CCC(C)(C)C#N)CC2)nc1	ZINC000157762027	425939965	/nfs/dbraw/zinc/93/99/65/425939965.db2.gz	UOLLNJLRPZOEQH-UHFFFAOYSA-N	0	3	314.433	2.980	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000125169014	425955976	/nfs/dbraw/zinc/95/59/76/425955976.db2.gz	MIMYOSIHVGLGDD-QAPCUYQASA-N	0	3	321.428	2.838	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(C)c(C)c2)CC1	ZINC000106039918	425970217	/nfs/dbraw/zinc/97/02/17/425970217.db2.gz	MBMDDONLYDEVPK-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnc(SC)c2)CC1	ZINC000106034824	425970720	/nfs/dbraw/zinc/97/07/20/425970720.db2.gz	NRZSOFJAUKGDLY-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(CC)cc2)CC1	ZINC000106040635	425970789	/nfs/dbraw/zinc/97/07/89/425970789.db2.gz	CPDLGJJKRZAGRI-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1	ZINC000106039525	425970867	/nfs/dbraw/zinc/97/08/67/425970867.db2.gz	XWTGQFYPVJHKKV-VOTSOKGWSA-N	0	3	302.393	2.996	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(C)c3ccccc23)CC1	ZINC000106039066	425971013	/nfs/dbraw/zinc/97/10/13/425971013.db2.gz	UIBVKSWBYUZCKI-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)S1	ZINC000070383183	425971156	/nfs/dbraw/zinc/97/11/56/425971156.db2.gz	INODCTPCJMLQOH-BETUJISGSA-N	0	3	303.431	2.713	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)S1	ZINC000070383270	425971526	/nfs/dbraw/zinc/97/15/26/425971526.db2.gz	GUAYWRSMBAEVOS-BETUJISGSA-N	0	3	303.431	2.713	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc2c(c1)CCCC2	ZINC000070788571	425975927	/nfs/dbraw/zinc/97/59/27/425975927.db2.gz	ARFFGEALZRXHMF-CABCVRRESA-N	0	3	313.445	2.977	20	30		DFEDHN
CCc1ccc([C@@H](C)NCC(=O)N(CCC#N)CCC#N)cc1	ZINC000126660855	426031338	/nfs/dbraw/zinc/03/13/38/426031338.db2.gz	KAAWIVWOQDBEKY-OAHLLOKOSA-N	0	3	312.417	2.556	20	30		DFEDHN
C=C(C)CN(CC)C(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000074199531	426042118	/nfs/dbraw/zinc/04/21/18/426042118.db2.gz	WDDJWTDYHXWSIF-UHFFFAOYSA-N	0	3	315.461	2.867	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000126288256	426013488	/nfs/dbraw/zinc/01/34/88/426013488.db2.gz	UJIHIEDERVONMF-HUUCEWRRSA-N	0	3	312.454	2.645	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1C)C(C)C	ZINC000108462777	426016631	/nfs/dbraw/zinc/01/66/31/426016631.db2.gz	PBFRSUAFHDROBS-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@H](CSc2ccccc2)C1	ZINC000075964505	426091770	/nfs/dbraw/zinc/09/17/70/426091770.db2.gz	WSIHONHSFUYFDZ-CABCVRRESA-N	0	3	304.459	2.791	20	30		DFEDHN
CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163148464	426091821	/nfs/dbraw/zinc/09/18/21/426091821.db2.gz	IQCWDUQHJOAKTF-DOTOQJQBSA-N	0	3	320.458	2.890	20	30		DFEDHN
CCS[C@@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1	ZINC000076068336	426097096	/nfs/dbraw/zinc/09/70/96/426097096.db2.gz	SYHRZOXWXZVUJG-LSDHHAIUSA-N	0	3	323.506	2.935	20	30		DFEDHN
COc1ccc(CNC[C@H]2COC3(CCCCC3)O2)cc1C#N	ZINC000128349227	426113456	/nfs/dbraw/zinc/11/34/56/426113456.db2.gz	ICSBZZIYMHTDFH-INIZCTEOSA-N	0	3	316.401	2.732	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCc1cccc(C#N)c1	ZINC000113405651	426114031	/nfs/dbraw/zinc/11/40/31/426114031.db2.gz	QEVDEGKXSALGBV-QGZVFWFLSA-N	0	3	314.433	2.622	20	30		DFEDHN
CCOC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1	ZINC000077313737	426126685	/nfs/dbraw/zinc/12/66/85/426126685.db2.gz	LKQMWQWROLLAKR-MRXNPFEDSA-N	0	3	318.417	2.694	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1	ZINC000171717389	426206756	/nfs/dbraw/zinc/20/67/56/426206756.db2.gz	IIYPJPGHIIFNEM-BUHFOSPRSA-N	0	3	302.393	2.996	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1	ZINC000171680406	426204157	/nfs/dbraw/zinc/20/41/57/426204157.db2.gz	CNOAJWOPMMJTNE-UHFFFAOYSA-N	0	3	316.449	2.520	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000171694962	426204789	/nfs/dbraw/zinc/20/47/89/426204789.db2.gz	NNLPHDVBIBVUQP-UHFFFAOYSA-N	0	3	317.477	2.905	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@H](C)C1	ZINC000129841070	426141393	/nfs/dbraw/zinc/14/13/93/426141393.db2.gz	HOIWHNOPNWGVCH-RYRKJORJSA-N	0	3	313.445	2.873	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cn1	ZINC000115018547	426152209	/nfs/dbraw/zinc/15/22/09/426152209.db2.gz	MLWIBGHWUQTXKQ-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
C[C@@H](c1ccc(F)c(F)c1)N(C)CCC(=O)N(C)CCC#N	ZINC000130963697	426163540	/nfs/dbraw/zinc/16/35/40/426163540.db2.gz	BHQVMSAYYALGHG-LBPRGKRZSA-N	0	3	309.360	2.720	20	30		DFEDHN
C=CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1	ZINC000115641961	426171293	/nfs/dbraw/zinc/17/12/93/426171293.db2.gz	AKDSLHUBMYCHRH-RDJZCZTQSA-N	0	3	317.433	2.563	20	30		DFEDHN
N#CCCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000132764192	426171414	/nfs/dbraw/zinc/17/14/14/426171414.db2.gz	FKYFTFHYFJOTQZ-LBPRGKRZSA-N	0	3	306.797	2.689	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000171152011	426173117	/nfs/dbraw/zinc/17/31/17/426173117.db2.gz	AGDLGIOPCRWICW-CQSZACIVSA-N	0	3	317.437	2.721	20	30		DFEDHN
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000117078215	426205997	/nfs/dbraw/zinc/20/59/97/426205997.db2.gz	CMRICZXDBUWWCH-AWEZNQCLSA-N	0	3	317.433	2.548	20	30		DFEDHN
CCOC(=O)N[C@@H](CNCc1cccc(C#N)c1)CC(C)C	ZINC000078651265	426179037	/nfs/dbraw/zinc/17/90/37/426179037.db2.gz	RPBUEBLXCPOJJB-MRXNPFEDSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1F)C(C)C	ZINC000133513853	426180288	/nfs/dbraw/zinc/18/02/88/426180288.db2.gz	UYELBQUITUVRCJ-INIZCTEOSA-N	0	3	305.397	2.649	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)[C@H]1CCCc2c1cnn2C	ZINC000135558181	426222990	/nfs/dbraw/zinc/22/29/90/426222990.db2.gz	DVVJMYJNDUHWBN-KRWDZBQOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000081574194	426224902	/nfs/dbraw/zinc/22/49/02/426224902.db2.gz	MLVBKUMBMSWLBT-QSFXBCCZSA-N	0	3	322.408	2.991	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(C#N)cs1)N(C)Cc1ccccc1	ZINC000084109594	426233048	/nfs/dbraw/zinc/23/30/48/426233048.db2.gz	IFMZQSHSFLMNAO-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C#N)cs2)C1	ZINC000084109226	426233554	/nfs/dbraw/zinc/23/35/54/426233554.db2.gz	LKDFLBMEYSAXRY-CQSZACIVSA-N	0	3	311.410	2.753	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(C#N)cs1	ZINC000084182783	426234491	/nfs/dbraw/zinc/23/44/91/426234491.db2.gz	SZBLFSBBJFYWBD-JHJVBQTASA-N	0	3	305.447	2.716	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1	ZINC000084182368	426234610	/nfs/dbraw/zinc/23/46/10/426234610.db2.gz	PDTBWXAZRMZLGU-OAHLLOKOSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)s1	ZINC000136164996	426235820	/nfs/dbraw/zinc/23/58/20/426235820.db2.gz	JZALPNXZWJNPST-STQMWFEESA-N	0	3	322.478	2.591	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1	ZINC000171723100	426206937	/nfs/dbraw/zinc/20/69/37/426206937.db2.gz	OYMZIHIJOIEXJA-UHFFFAOYSA-N	0	3	314.216	2.769	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000171723324	426207165	/nfs/dbraw/zinc/20/71/65/426207165.db2.gz	SPAIAFRISUSMLT-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)c(Cl)[nH]2)CC1	ZINC000171721017	426207185	/nfs/dbraw/zinc/20/71/85/426207185.db2.gz	IMSKHTSFWQNBQJ-UHFFFAOYSA-N	0	3	302.205	2.702	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)CCCc2ccccc2)CC1	ZINC000171740909	426209436	/nfs/dbraw/zinc/20/94/36/426209436.db2.gz	JROFVXRBAPLDDV-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
C[C@@H](Cn1cc(Br)cn1)NCc1cccc(C#N)c1	ZINC000151382154	426292885	/nfs/dbraw/zinc/29/28/85/426292885.db2.gz	FYJIRMQIPDECHV-NSHDSACASA-N	0	3	319.206	2.696	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175347610	426299386	/nfs/dbraw/zinc/29/93/86/426299386.db2.gz	ZRXXRGWHSWDBBD-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2cc(C#N)c[nH]2)N2CCCC2)cc1	ZINC000175476471	426307440	/nfs/dbraw/zinc/30/74/40/426307440.db2.gz	PMIGEPYZIBCVCA-SFHVURJKSA-N	0	3	322.412	2.762	20	30		DFEDHN
CCN(CC)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000175715281	426323288	/nfs/dbraw/zinc/32/32/88/426323288.db2.gz	LZWXNPUCHIVIKY-UHFFFAOYSA-N	0	3	312.335	2.515	20	30		DFEDHN
Cc1cccc([C@@H](C)CN[C@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000153622569	426395519	/nfs/dbraw/zinc/39/55/19/426395519.db2.gz	SZKOGGNGOYGXKH-KSSFIOAISA-N	0	3	307.397	2.786	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000153978769	426415984	/nfs/dbraw/zinc/41/59/84/426415984.db2.gz	JDNYWRLVGHDLGG-CHWSQXEVSA-N	0	3	319.355	2.535	20	30		DFEDHN
CN(CCNCc1ccc(C#N)s1)Cc1ccc(F)cc1	ZINC000176988467	426431194	/nfs/dbraw/zinc/43/11/94/426431194.db2.gz	FHTQKTGVELXVHX-UHFFFAOYSA-N	0	3	303.406	2.980	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C#N)[nH]1	ZINC000154439371	426440709	/nfs/dbraw/zinc/44/07/09/426440709.db2.gz	WMMYHOFVBSVLTO-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(-c3cnco3)cc2)CC1	ZINC000123792317	426453656	/nfs/dbraw/zinc/45/36/56/426453656.db2.gz	KULKZFXNFPCYDL-UHFFFAOYSA-N	0	3	309.369	2.625	20	30		DFEDHN
C[C@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccccc1	ZINC000123767074	426452626	/nfs/dbraw/zinc/45/26/26/426452626.db2.gz	AMJPVUVZHGRLSA-CQSZACIVSA-N	0	3	306.369	2.763	20	30		DFEDHN
C=CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000154861093	426458747	/nfs/dbraw/zinc/45/87/47/426458747.db2.gz	FEVGUXXXMISACW-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)cc1C#N	ZINC000097473154	426467276	/nfs/dbraw/zinc/46/72/76/426467276.db2.gz	IDASTRXIODMAKP-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
CCOC(CN1CCC(Oc2cccc(C#N)c2)CC1)OCC	ZINC000124150778	426471891	/nfs/dbraw/zinc/47/18/91/426471891.db2.gz	RHXUNVKTTAHXLM-UHFFFAOYSA-N	0	3	318.417	2.801	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1	ZINC000155459299	426472354	/nfs/dbraw/zinc/47/23/54/426472354.db2.gz	PDQVWGSQQJDGHO-YOEHRIQHSA-N	0	3	302.418	2.710	20	30		DFEDHN
N#CC1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCCC1	ZINC000098093460	426477886	/nfs/dbraw/zinc/47/78/86/426477886.db2.gz	QLGAMZLZWRVBKR-KRWDZBQOSA-N	0	3	311.429	2.851	20	30		DFEDHN
COC1(C)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272365542	426507342	/nfs/dbraw/zinc/50/73/42/426507342.db2.gz	OFJHWJLXGHJQIV-UHFFFAOYSA-N	0	3	324.428	2.960	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000186340229	426508382	/nfs/dbraw/zinc/50/83/82/426508382.db2.gz	WOVCXXIWISLGKE-ZIAGYGMSSA-N	0	3	321.446	2.742	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000177803628	426522558	/nfs/dbraw/zinc/52/25/58/426522558.db2.gz	PTFKMNSOXWVDLN-UHFFFAOYSA-N	0	3	323.400	2.645	20	30		DFEDHN
C=C(Br)CN[C@H](C)C1CCN(C(=O)OCC)CC1	ZINC000186423846	426525302	/nfs/dbraw/zinc/52/53/02/426525302.db2.gz	KAVPJFQSPPLYFJ-LLVKDONJSA-N	0	3	319.243	2.742	20	30		DFEDHN
Cc1nnc(NC[C@H]2CCN(Cc3ccccc3)C2)c(C#N)c1C	ZINC000195517606	426532694	/nfs/dbraw/zinc/53/26/94/426532694.db2.gz	MKQTXTMKATVESC-QGZVFWFLSA-N	0	3	321.428	2.899	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCCc3ccccc3C2)cc1	ZINC000264430618	426551841	/nfs/dbraw/zinc/55/18/41/426551841.db2.gz	NYXWGUPUDYRGMY-IBGZPJMESA-N	0	3	322.408	2.746	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(OCC)cc2)CC1	ZINC000264435510	426553071	/nfs/dbraw/zinc/55/30/71/426553071.db2.gz	VONFIHTZHUALCR-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000186176466	426491499	/nfs/dbraw/zinc/49/14/99/426491499.db2.gz	PCHXDDZCTYRMRQ-KSSFIOAISA-N	0	3	311.429	2.857	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCCC[C@H]1CN1CCOCC1	ZINC000186245026	426496599	/nfs/dbraw/zinc/49/65/99/426496599.db2.gz	IGNUTFDRWIJIRS-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C#N)cc1C)CC2	ZINC000186239593	426496619	/nfs/dbraw/zinc/49/66/19/426496619.db2.gz	ARTAHPSIPCVPSR-QZTJIDSGSA-N	0	3	314.429	2.619	20	30		DFEDHN
COCCCN1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1	ZINC000272348037	426502941	/nfs/dbraw/zinc/50/29/41/426502941.db2.gz	CUDDPRJHLRBQDI-UHFFFAOYSA-N	0	3	315.417	2.674	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000264517864	426567086	/nfs/dbraw/zinc/56/70/86/426567086.db2.gz	VVCYCDRUQFGNMY-BQYQJAHWSA-N	0	3	309.413	2.728	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2cccc(C)c2C)CC1	ZINC000264526938	426568478	/nfs/dbraw/zinc/56/84/78/426568478.db2.gz	YRMAOYXQICRFBE-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
Cc1cnn([C@@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)c1	ZINC000264522682	426569259	/nfs/dbraw/zinc/56/92/59/426569259.db2.gz	AYBDVQMHYSKYLI-QGZVFWFLSA-N	0	3	310.401	2.931	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCN2CCSCC2)c([O-])c1	ZINC000264847268	426577556	/nfs/dbraw/zinc/57/75/56/426577556.db2.gz	NYNSBQFCHVXFDG-NBVRZTHBSA-N	0	3	321.490	2.706	20	30		DFEDHN
C=CC[C@H](C)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000273030502	426579259	/nfs/dbraw/zinc/57/92/59/426579259.db2.gz	SAHLFYGVEQVQNR-GWCFXTLKSA-N	0	3	300.324	2.656	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000280556576	426600974	/nfs/dbraw/zinc/60/09/74/426600974.db2.gz	FKIXXVQXHXUZBO-ZDUSSCGKSA-N	0	3	311.385	2.710	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CCC(C)C	ZINC000280388227	426563754	/nfs/dbraw/zinc/56/37/54/426563754.db2.gz	GBRIWUKKUUWSFW-GOSISDBHSA-N	0	3	304.434	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(OC)c(F)c2)CC1	ZINC000264499901	426564020	/nfs/dbraw/zinc/56/40/20/426564020.db2.gz	QGICHFRBNMTLKT-UHFFFAOYSA-N	0	3	320.408	2.534	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2ccc(C#N)cc2)c1C#N	ZINC000273280752	426633326	/nfs/dbraw/zinc/63/33/26/426633326.db2.gz	DFZHAJYBFGNVBA-UHFFFAOYSA-N	0	3	319.412	2.702	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C(=O)NC1CC1)c1ccccc1	ZINC000280696144	426637551	/nfs/dbraw/zinc/63/75/51/426637551.db2.gz	RYEBKQULTKIYBM-NJAFHUGGSA-N	0	3	314.429	2.577	20	30		DFEDHN
COCC[C@H](NCCOc1ccccc1C#N)c1ccco1	ZINC000273327099	426644657	/nfs/dbraw/zinc/64/46/57/426644657.db2.gz	YCHFSYJPARZWBR-HNNXBMFYSA-N	0	3	300.358	2.897	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc(F)cc2F)CC1	ZINC000178541286	426650005	/nfs/dbraw/zinc/65/00/05/426650005.db2.gz	YEVSLXNAHCZGDA-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NCCN1CCCC[C@H]1C	ZINC000178539415	426650638	/nfs/dbraw/zinc/65/06/38/426650638.db2.gz	WRNOVWBXZYMRJJ-CYBMUJFWSA-N	0	3	300.406	2.863	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000280774599	426653358	/nfs/dbraw/zinc/65/33/58/426653358.db2.gz	AQIJLKNBPQVDLO-SCLBCKFNSA-N	0	3	323.396	2.710	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccnn2CCO)CC1	ZINC000187670895	426681583	/nfs/dbraw/zinc/68/15/83/426681583.db2.gz	NELHQJOTAAMXGX-HNNXBMFYSA-N	0	3	324.428	2.688	20	30		DFEDHN
COc1ccc(CN[C@@H](C)CNC(=O)OC(C)(C)C)cc1C#N	ZINC000227687090	426628809	/nfs/dbraw/zinc/62/88/09/426628809.db2.gz	XGIORCSEXPWLNH-LBPRGKRZSA-N	0	3	319.405	2.570	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@@H](O)c2ccsc2)cc1	ZINC000265802988	426692277	/nfs/dbraw/zinc/69/22/77/426692277.db2.gz	TYCRLJABRKAPFG-QGZVFWFLSA-N	0	3	301.411	2.973	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@](C)(C(=O)NC)C2)cc1Cl	ZINC000281047514	426700990	/nfs/dbraw/zinc/70/09/90/426700990.db2.gz	HPPLQUZAMQCFAG-QGZVFWFLSA-N	0	3	322.836	2.863	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000245918685	426783029	/nfs/dbraw/zinc/78/30/29/426783029.db2.gz	PUNVSWFYRJYRAO-WMLDXEAASA-N	0	3	311.429	2.654	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1	ZINC000188739535	426783574	/nfs/dbraw/zinc/78/35/74/426783574.db2.gz	RWKGTQIBXTVIRD-MRXNPFEDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000274343546	426748282	/nfs/dbraw/zinc/74/82/82/426748282.db2.gz	MVYRMWIVRGMKRO-MRXNPFEDSA-N	0	3	318.461	2.888	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000266667227	426758150	/nfs/dbraw/zinc/75/81/50/426758150.db2.gz	FZGMKHPEVUZKEY-CABCVRRESA-N	0	3	300.402	2.560	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)C1=O	ZINC000282011609	426812288	/nfs/dbraw/zinc/81/22/88/426812288.db2.gz	ONQJGPRTLIRSLZ-KMFMINBZSA-N	0	3	302.393	2.790	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000246411921	426830864	/nfs/dbraw/zinc/83/08/64/426830864.db2.gz	QNFYTQZELNRAQF-WMZOPIPTSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1OC	ZINC000189350760	426842972	/nfs/dbraw/zinc/84/29/72/426842972.db2.gz	WCEJLQPRZXJWSE-SJORKVTESA-N	0	3	305.418	2.899	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)C(C)C	ZINC000246599600	426848294	/nfs/dbraw/zinc/84/82/94/426848294.db2.gz	DAWXWHAPHIYTNX-YESZJQIVSA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)OC[C@@H]1C)C(C)C	ZINC000246025372	426790601	/nfs/dbraw/zinc/79/06/01/426790601.db2.gz	VJUOFVOEEZQKFZ-YESZJQIVSA-N	0	3	323.481	2.504	20	30		DFEDHN
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC[C@H](C)C1	ZINC000246049868	426792325	/nfs/dbraw/zinc/79/23/25/426792325.db2.gz	ATLZXKZTKHUWKL-NWDGAFQWSA-N	0	3	321.371	2.687	20	30		DFEDHN
C#CCN(CC)CCC(=O)Nc1ccccc1Br	ZINC000266924359	426795756	/nfs/dbraw/zinc/79/57/56/426795756.db2.gz	MTKWXABYFMGFQG-UHFFFAOYSA-N	0	3	309.207	2.733	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](c2ccc(F)c(C)c2)C2CC2)C1=O	ZINC000281936346	426796690	/nfs/dbraw/zinc/79/66/90/426796690.db2.gz	INCJQDUPVRBRDA-IRXDYDNUSA-N	0	3	302.393	2.962	20	30		DFEDHN
C#C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282721939	426921343	/nfs/dbraw/zinc/92/13/43/426921343.db2.gz	KTCNHLROFSLZEI-RDJZCZTQSA-N	0	3	313.445	2.608	20	30		DFEDHN
C#CCN(C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000282712513	426922445	/nfs/dbraw/zinc/92/24/45/426922445.db2.gz	VANWUOWSCIBPHO-UHFFFAOYSA-N	0	3	315.417	2.648	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1	ZINC000246766722	426863537	/nfs/dbraw/zinc/86/35/37/426863537.db2.gz	PSDDHFYTUDVNMH-VQIMIIECSA-N	0	3	309.413	2.978	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1	ZINC000180799387	426891299	/nfs/dbraw/zinc/89/12/99/426891299.db2.gz	IYFDWNKFSUBVTF-KRWDZBQOSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000337696452	426925984	/nfs/dbraw/zinc/92/59/84/426925984.db2.gz	SVVOZPCBROKNPP-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1[C@H](C)CC[C@@H]1C	ZINC000247171740	426910510	/nfs/dbraw/zinc/91/05/10/426910510.db2.gz	MXXIECRHTDTREJ-FRRDWIJNSA-N	0	3	303.381	2.575	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCOCC1)C(C)C	ZINC000181635010	426970902	/nfs/dbraw/zinc/97/09/02/426970902.db2.gz	SPGWUFJBKYOFNI-IAGOWNOFSA-N	0	3	323.481	2.553	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2(C#N)CCC2)C1	ZINC000323941576	426975554	/nfs/dbraw/zinc/97/55/54/426975554.db2.gz	UDLZODJCTQCJTI-INIZCTEOSA-N	0	3	311.429	2.661	20	30		DFEDHN
CO[C@@]1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCOC1	ZINC000328650863	426984966	/nfs/dbraw/zinc/98/49/66/426984966.db2.gz	BFEUFNLJSNQFDM-SFHVURJKSA-N	0	3	324.465	2.795	20	30		DFEDHN
O=C(N[C@H](CO)CC1CCCC1)[C@@H]1CCCN1C1CCOCC1	ZINC000328671256	426989014	/nfs/dbraw/zinc/98/90/14/426989014.db2.gz	HBKDHHVOOHFGAQ-RDJZCZTQSA-N	0	3	324.465	2.528	20	30		DFEDHN
O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(C2CC2)CC1	ZINC000328709390	426990524	/nfs/dbraw/zinc/99/05/24/426990524.db2.gz	QSPVZDZSTUITFJ-OAHLLOKOSA-N	0	3	316.401	2.657	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccs1	ZINC000247390655	426932112	/nfs/dbraw/zinc/93/21/12/426932112.db2.gz	LZWCNLTYXBOMEC-GXTWGEPZSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1	ZINC000247461336	426939407	/nfs/dbraw/zinc/93/94/07/426939407.db2.gz	IKENXUXKMKNEFU-YOEHRIQHSA-N	0	3	301.434	2.580	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000248879383	427056457	/nfs/dbraw/zinc/05/64/57/427056457.db2.gz	RLRPXWALDQULSF-HLLBOEOZSA-N	0	3	301.434	2.771	20	30		DFEDHN
CN(CCOc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000268579163	427057782	/nfs/dbraw/zinc/05/77/82/427057782.db2.gz	CLENIGJIXBCYPB-SFHVURJKSA-N	0	3	314.360	2.742	20	30		DFEDHN
C[C@]1(NC(=O)CC2(N3CCOCC3)CCCC2)CCCOC1	ZINC000329180165	427061456	/nfs/dbraw/zinc/06/14/56/427061456.db2.gz	OBIIDKCSQYVUIH-INIZCTEOSA-N	0	3	310.438	2.547	20	30		DFEDHN
COCC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000337866561	427008099	/nfs/dbraw/zinc/00/80/99/427008099.db2.gz	QMURQTMEXGTCCE-CZUORRHYSA-N	0	3	317.433	2.926	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1	ZINC000328910604	427009285	/nfs/dbraw/zinc/00/92/85/427009285.db2.gz	NOECOUHELFNNQK-WFASDCNBSA-N	0	3	317.389	2.867	20	30		DFEDHN
C=CCCN(C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000276205356	427009321	/nfs/dbraw/zinc/00/93/21/427009321.db2.gz	JZMPTVVEJZSCRO-MRXNPFEDSA-N	0	3	308.372	2.964	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)CO[C@H]1CCCc2ccccc21	ZINC000248690985	427031976	/nfs/dbraw/zinc/03/19/76/427031976.db2.gz	AHHAAMGYRYGBQT-MJGOQNOKSA-N	0	3	319.445	2.576	20	30		DFEDHN
CC[C@H]1CCCCN1CCNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268518482	427042568	/nfs/dbraw/zinc/04/25/68/427042568.db2.gz	UIBLDNFSEUDVTD-ZDUSSCGKSA-N	0	3	303.366	2.538	20	30		DFEDHN
CO[C@@H](C)c1nc(C)c(C(=O)NCC2=CCN(C)CC2)s1	ZINC000329211753	427064704	/nfs/dbraw/zinc/06/47/04/427064704.db2.gz	HHPNZHUSDOWCCY-NSHDSACASA-N	0	3	309.435	2.725	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC	ZINC000276434715	427066535	/nfs/dbraw/zinc/06/65/35/427066535.db2.gz	NZYVVJCMTOZOSB-ZIAGYGMSSA-N	0	3	320.433	2.777	20	30		DFEDHN
Cc1ccccc1OCCN(C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268615151	427068898	/nfs/dbraw/zinc/06/88/98/427068898.db2.gz	MDHQKIKTZWELAA-GOSISDBHSA-N	0	3	310.397	2.911	20	30		DFEDHN
CN(CCCOc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268643223	427076909	/nfs/dbraw/zinc/07/69/09/427076909.db2.gz	SYWDLBKUAALNEY-LJQANCHMSA-N	0	3	310.397	2.993	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@H](c3ncc[nH]3)C2)c1	ZINC000268647356	427078619	/nfs/dbraw/zinc/07/86/19/427078619.db2.gz	IUEVJNZUYUQLMG-INIZCTEOSA-N	0	3	310.401	2.930	20	30		DFEDHN
CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1c(C)noc1C	ZINC000329284622	427082000	/nfs/dbraw/zinc/08/20/00/427082000.db2.gz	NXZSWSCVANQGGU-KKUMJFAQSA-N	0	3	320.437	2.683	20	30		DFEDHN
O=C(NCc1nc2ccccc2s1)N[C@H]1CCN(C2CC2)C1	ZINC000329291184	427084114	/nfs/dbraw/zinc/08/41/14/427084114.db2.gz	IOYGGMMFXHZCBG-NSHDSACASA-N	0	3	316.430	2.537	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000182523739	427093589	/nfs/dbraw/zinc/09/35/89/427093589.db2.gz	UMCIIWLBPDKJQX-HZPDHXFCSA-N	0	3	304.434	2.604	20	30		DFEDHN
C#CCN(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000276568602	427101921	/nfs/dbraw/zinc/10/19/21/427101921.db2.gz	BNONFCWPAFLYGQ-INIZCTEOSA-N	0	3	324.346	2.533	20	30		DFEDHN
CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000276582236	427106386	/nfs/dbraw/zinc/10/63/86/427106386.db2.gz	BQLZJZYSKGXEFK-YVEFUNNKSA-N	0	3	301.365	2.902	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(Cc2ccc(CO)cc2)CC1	ZINC000182654494	427119002	/nfs/dbraw/zinc/11/90/02/427119002.db2.gz	OIFZPFGHWPUWLU-UHFFFAOYSA-N	0	3	321.424	2.763	20	30		DFEDHN
CCOCCOCCN(C)Cc1ccccc1C(C)(C)C#N	ZINC000190285214	427064060	/nfs/dbraw/zinc/06/40/60/427064060.db2.gz	UJFNUXAITHQWPB-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CCCOC1	ZINC000329509580	427131659	/nfs/dbraw/zinc/13/16/59/427131659.db2.gz	MJKBJTXSSSPYKK-JKSUJKDBSA-N	0	3	324.465	2.793	20	30		DFEDHN
CC(C)(C)SCCN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292222436	427138366	/nfs/dbraw/zinc/13/83/66/427138366.db2.gz	PBQJZVDOTROCLS-AWEZNQCLSA-N	0	3	305.447	2.938	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@@H]1CCCCN1C1CC1)C2	ZINC000329552628	427139330	/nfs/dbraw/zinc/13/93/30/427139330.db2.gz	GFDHMKAPOMRFBT-HOCLYGCPSA-N	0	3	316.449	2.727	20	30		DFEDHN
C[C@H]1COCC[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000277268231	427144073	/nfs/dbraw/zinc/14/40/73/427144073.db2.gz	AHLYIPLABZARTE-WFASDCNBSA-N	0	3	313.319	2.951	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1OCCCC#N	ZINC000250087444	427153611	/nfs/dbraw/zinc/15/36/11/427153611.db2.gz	PWYYZJIVZDUTGU-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
C[C@H]1CN(C(=O)c2cc(C#N)cs2)CCN(C2CCC2)C1	ZINC000292333159	427177105	/nfs/dbraw/zinc/17/71/05/427177105.db2.gz	JZIFNNXIWLNANW-GFCCVEGCSA-N	0	3	303.431	2.566	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1	ZINC000252499534	427181738	/nfs/dbraw/zinc/18/17/38/427181738.db2.gz	BXKKSFUABHTFEE-CVEARBPZSA-N	0	3	315.417	2.952	20	30		DFEDHN
N#Cc1ncccc1NCc1ccccc1CN1CCC(O)CC1	ZINC000277373317	427182861	/nfs/dbraw/zinc/18/28/61/427182861.db2.gz	CDJXBNWVDBADTI-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C	ZINC000252645911	427190059	/nfs/dbraw/zinc/19/00/59/427190059.db2.gz	CKCURYAEVMJXDV-WMLDXEAASA-N	0	3	317.477	2.888	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1F	ZINC000269419465	427192972	/nfs/dbraw/zinc/19/29/72/427192972.db2.gz	LFVYEUFNRCBDQV-SFHVURJKSA-N	0	3	311.404	2.960	20	30		DFEDHN
C#C[C@@H](C)NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000253185025	427196872	/nfs/dbraw/zinc/19/68/72/427196872.db2.gz	IBMMRLVYUCORJT-AEFFLSMTSA-N	0	3	313.445	2.562	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1	ZINC000338250830	427211760	/nfs/dbraw/zinc/21/17/60/427211760.db2.gz	LFGAHWBXGIPKCZ-UHFFFAOYSA-N	0	3	310.372	2.669	20	30		DFEDHN
Cc1cccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1C	ZINC000330375082	427226190	/nfs/dbraw/zinc/22/61/90/427226190.db2.gz	NNMUFTWVRIVBAU-INIZCTEOSA-N	0	3	304.434	2.701	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1cccc(C#N)c1	ZINC000255140098	427244693	/nfs/dbraw/zinc/24/46/93/427244693.db2.gz	ZRIQHKVJNVVGLP-UVFSVYEVSA-N	0	3	309.413	2.657	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cnn1CC(C)C	ZINC000330465228	427245213	/nfs/dbraw/zinc/24/52/13/427245213.db2.gz	WIRFSEAWXTYJFJ-UONOGXRCSA-N	0	3	306.454	2.889	20	30		DFEDHN
COc1cccc(N2CCC[C@@H](NCc3cc(C#N)n(C)c3)C2)c1	ZINC000191107093	427255573	/nfs/dbraw/zinc/25/55/73/427255573.db2.gz	VDTWNRYYTJYMRC-MRXNPFEDSA-N	0	3	324.428	2.664	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1	ZINC000330515343	427256738	/nfs/dbraw/zinc/25/67/38/427256738.db2.gz	VQTYMUXTXPPYFG-AWEZNQCLSA-N	0	3	306.406	2.801	20	30		DFEDHN
CC[C@H]1CCCN1CC(=O)NC(=O)Nc1cccc(C)c1C	ZINC000330528036	427259331	/nfs/dbraw/zinc/25/93/31/427259331.db2.gz	RHBYIVDEYQQAEH-AWEZNQCLSA-N	0	3	303.406	2.840	20	30		DFEDHN
COc1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1C#N	ZINC000269719369	427260551	/nfs/dbraw/zinc/26/05/51/427260551.db2.gz	TUNDAVZKHHKUNR-UHFFFAOYSA-N	0	3	316.401	2.542	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc(F)c(OC)c2)CC1	ZINC000255421289	427267729	/nfs/dbraw/zinc/26/77/29/427267729.db2.gz	KBDYLYPXBRVUOZ-ALCCZGGFSA-N	0	3	318.392	2.614	20	30		DFEDHN
C[C@@H]1CN(CCCNc2c(F)cc(C#N)cc2F)CCCO1	ZINC000277634731	427269426	/nfs/dbraw/zinc/26/94/26/427269426.db2.gz	NDJVHGJOXIILMB-GFCCVEGCSA-N	0	3	309.360	2.749	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000285564630	427273881	/nfs/dbraw/zinc/27/38/81/427273881.db2.gz	RXEVBZOXNOMWEJ-WCQYABFASA-N	0	3	303.793	2.520	20	30		DFEDHN
COc1cnc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)s1	ZINC000330735049	427299606	/nfs/dbraw/zinc/29/96/06/427299606.db2.gz	VRDIZPQPVBOXSI-LLVKDONJSA-N	0	3	312.439	2.598	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2ncc(Br)cc2C#N)CCN1C	ZINC000296994945	427300496	/nfs/dbraw/zinc/30/04/96/427300496.db2.gz	FNTYKTJNVUJNDG-ZWNOBZJWSA-N	0	3	323.238	2.635	20	30		DFEDHN
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H](C)C2)c(C)c1	ZINC000330774707	427301152	/nfs/dbraw/zinc/30/11/52/427301152.db2.gz	GWWHOHAOXXXKBO-JSGCOSHPSA-N	0	3	303.406	2.695	20	30		DFEDHN
CC(C)(C#N)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000330814979	427308022	/nfs/dbraw/zinc/30/80/22/427308022.db2.gz	NDXLRDHVMWBKAA-OAHLLOKOSA-N	0	3	317.408	2.704	20	30		DFEDHN
COc1ncc(C)cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000330872857	427311736	/nfs/dbraw/zinc/31/17/36/427311736.db2.gz	CSPNMIKOCUYPKS-ZDUSSCGKSA-N	0	3	320.437	2.606	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ncccc2OCC(F)F)CCN1C	ZINC000330904582	427314015	/nfs/dbraw/zinc/31/40/15/427314015.db2.gz	MHRMACISBOTFTG-GHMZBOCLSA-N	0	3	313.348	2.513	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)N(C)C)c2)CCN1C	ZINC000330919578	427318728	/nfs/dbraw/zinc/31/87/28/427318728.db2.gz	YVQCJAVWNGCQPC-IUODEOHRSA-N	0	3	318.421	2.581	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330977253	427324622	/nfs/dbraw/zinc/32/46/22/427324622.db2.gz	OKWRCLPKEBFWGJ-LLVKDONJSA-N	0	3	324.356	2.934	20	30		DFEDHN
COc1cc(C)cnc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000330999869	427325224	/nfs/dbraw/zinc/32/52/24/427325224.db2.gz	VTZASXPHMFPMDH-UHFFFAOYSA-N	0	3	305.422	2.825	20	30		DFEDHN
CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@@H]1CCN(C)C1	ZINC000331036951	427331296	/nfs/dbraw/zinc/33/12/96/427331296.db2.gz	OAIXMWDQAVYSOB-LBPRGKRZSA-N	0	3	322.478	2.887	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000331057009	427332667	/nfs/dbraw/zinc/33/26/67/427332667.db2.gz	QEVNANQMWUPQBD-PVAVHDDUSA-N	0	3	323.481	2.734	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1	ZINC000270375685	427338384	/nfs/dbraw/zinc/33/83/84/427338384.db2.gz	FBOHUDNSVRGLCM-FHLIZLRMSA-N	0	3	311.429	2.533	20	30		DFEDHN
CSc1c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cnn1C	ZINC000331072390	427338710	/nfs/dbraw/zinc/33/87/10/427338710.db2.gz	FCDLJRPAWBJTNA-FRRDWIJNSA-N	0	3	324.494	2.813	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](C2(C)OCCO2)C1	ZINC000183824121	427349265	/nfs/dbraw/zinc/34/92/65/427349265.db2.gz	DIQXKYDLHDPMJD-INIZCTEOSA-N	0	3	316.401	2.542	20	30		DFEDHN
C#CCC(CC#C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000277696305	427288600	/nfs/dbraw/zinc/28/86/00/427288600.db2.gz	OAQFZPGLTCCNBQ-MRXNPFEDSA-N	0	3	310.441	2.895	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)c2ncc(C)s2)CC1	ZINC000183545501	427289771	/nfs/dbraw/zinc/28/97/71/427289771.db2.gz	WJWPCYZNPNVFNS-LBPRGKRZSA-N	0	3	322.478	2.505	20	30		DFEDHN
CCC[C@]1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1	ZINC000285628752	427290831	/nfs/dbraw/zinc/29/08/31/427290831.db2.gz	RBUYZVTUHHQGEA-INIZCTEOSA-N	0	3	321.808	2.699	20	30		DFEDHN
CN(C)[C@]1(CNC(=O)c2cc(C(C)(C)C)on2)CCSC1	ZINC000331120228	427351935	/nfs/dbraw/zinc/35/19/35/427351935.db2.gz	XECNDKCGQZYDND-HNNXBMFYSA-N	0	3	311.451	2.714	20	30		DFEDHN
C[C@@H](C#N)CN(C[C@H](C)CN(C[C@H](C)C#N)C1CC1)C1CC1	ZINC000338390321	427297694	/nfs/dbraw/zinc/29/76/94/427297694.db2.gz	WCCCQTKEFPLVDI-MUJYYYPQSA-N	0	3	302.466	2.871	20	30		DFEDHN
Cc1cc(F)cc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1	ZINC000331214978	427373553	/nfs/dbraw/zinc/37/35/53/427373553.db2.gz	NKLPEISTFLSZOW-MRXNPFEDSA-N	0	3	308.397	2.532	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)cc1	ZINC000184054010	427382750	/nfs/dbraw/zinc/38/27/50/427382750.db2.gz	WWPAXUPSSWRLMF-BEFAXECRSA-N	0	3	319.408	2.809	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC(CO)CC2)ccc1OC	ZINC000271041980	427384641	/nfs/dbraw/zinc/38/46/41/427384641.db2.gz	NLAXIEMEFNOEBN-UHFFFAOYSA-N	0	3	305.418	2.854	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2C)nc(C)n1	ZINC000338575743	427392040	/nfs/dbraw/zinc/39/20/40/427392040.db2.gz	DGANUNPQWXTYSF-CQSZACIVSA-N	0	3	310.313	2.800	20	30		DFEDHN
CCOC(=O)[C@@](C)(CNCc1ccc(C#N)o1)c1ccccc1	ZINC000191637025	427394571	/nfs/dbraw/zinc/39/45/71/427394571.db2.gz	XDZZFYSQJHNQKY-SFHVURJKSA-N	0	3	312.369	2.762	20	30		DFEDHN
Cc1nn(C)cc1[C@@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	ZINC000286013613	427400474	/nfs/dbraw/zinc/40/04/74/427400474.db2.gz	JJSCKMIOJUBMQF-CQSZACIVSA-N	0	3	323.444	2.920	20	30		DFEDHN
Cc1ccc(Cl)cc1C(=O)NC[C@@H]1CCCCN1CCO	ZINC000331345698	427400667	/nfs/dbraw/zinc/40/06/67/427400667.db2.gz	VQKHHRGMJHUOJX-AWEZNQCLSA-N	0	3	310.825	2.800	20	30		DFEDHN
C=C[C@H](CC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1)c1ccccc1	ZINC000270990048	427367209	/nfs/dbraw/zinc/36/72/09/427367209.db2.gz	DTPNQCIKHFWYHG-PVAVHDDUSA-N	0	3	318.486	2.850	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](C)C[S@@](C)=O)ccc1OC	ZINC000184266961	427427524	/nfs/dbraw/zinc/42/75/24/427427524.db2.gz	UFCSQVFWFCIMIV-YEJXKQKISA-N	0	3	311.447	2.507	20	30		DFEDHN
Cc1cnc([C@@H](C)CNCc2cnc3ccc(C#N)cn23)s1	ZINC000184344975	427443461	/nfs/dbraw/zinc/44/34/61/427443461.db2.gz	YKVZKXAVJXOSJL-NSHDSACASA-N	0	3	311.414	2.864	20	30		DFEDHN
C=C(C)Cn1c(CCC(C)C)nnc1N1CCN2CCC[C@H]2C1	ZINC000338802284	427498091	/nfs/dbraw/zinc/49/80/91/427498091.db2.gz	AIENJXVSTUZVEC-INIZCTEOSA-N	0	3	317.481	2.727	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000298017130	427502447	/nfs/dbraw/zinc/50/24/47/427502447.db2.gz	RCDMBABTCVGERW-FUHWJXTLSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCN(CC(C)C)CC1	ZINC000338813655	427503819	/nfs/dbraw/zinc/50/38/19/427503819.db2.gz	WBBFLBBPHFYSGB-UHFFFAOYSA-N	0	3	317.481	2.585	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000298031730	427506382	/nfs/dbraw/zinc/50/63/82/427506382.db2.gz	CEYGMOFRLPMSBK-UHFFFAOYSA-N	0	3	324.428	2.773	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000338845584	427519037	/nfs/dbraw/zinc/51/90/37/427519037.db2.gz	ISKYZYWBXTWXMU-OAHLLOKOSA-N	0	3	305.470	2.754	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CCc1ccccn1)C(C)C	ZINC000263654341	427530157	/nfs/dbraw/zinc/53/01/57/427530157.db2.gz	FHRVVWMMZDYZIK-GOSISDBHSA-N	0	3	315.461	2.829	20	30		DFEDHN
C[C@@H]1CN(CC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000263688750	427542730	/nfs/dbraw/zinc/54/27/30/427542730.db2.gz	BXECFFPPMKZYHT-IYBDPMFKSA-N	0	3	313.445	2.884	20	30		DFEDHN
C=CCCC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC	ZINC000263726651	427551945	/nfs/dbraw/zinc/55/19/45/427551945.db2.gz	CDGDEZBCDHZCHC-QGZVFWFLSA-N	0	3	301.434	2.861	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(F)c(C#N)c1	ZINC000272050758	427613849	/nfs/dbraw/zinc/61/38/49/427613849.db2.gz	QJRIUFCEYUQAHJ-PBHICJAKSA-N	0	3	304.365	2.909	20	30		DFEDHN
C=CCCC(=O)N(C)C1CCN(CCc2ccccn2)CC1	ZINC000263772977	427567540	/nfs/dbraw/zinc/56/75/40/427567540.db2.gz	FPWPKIOHRIYBPF-UHFFFAOYSA-N	0	3	301.434	2.513	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCC(N3CC=CC3)CC2)c1	ZINC000332317143	427578426	/nfs/dbraw/zinc/57/84/26/427578426.db2.gz	PPYABBGUXMEKNZ-UHFFFAOYSA-N	0	3	310.401	2.735	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCCN(C(C)C)CC2)c1	ZINC000332347074	427586703	/nfs/dbraw/zinc/58/67/03/427586703.db2.gz	QTVBAOOIBGQSOT-UHFFFAOYSA-N	0	3	300.406	2.815	20	30		DFEDHN
C[C@@H]1CN([C@H](CN[C@@H]2CC[C@H](C#N)C2)c2cccs2)CCO1	ZINC000338973084	427599679	/nfs/dbraw/zinc/59/96/79/427599679.db2.gz	RCBAUWIXVJNPAT-QKPAOTATSA-N	0	3	319.474	2.792	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCO)c(Br)c1	ZINC000279219756	427602529	/nfs/dbraw/zinc/60/25/29/427602529.db2.gz	HVYHFCLQJZHJSG-IUODEOHRSA-N	0	3	323.234	2.961	20	30		DFEDHN
CC(C)[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000185163091	427605864	/nfs/dbraw/zinc/60/58/64/427605864.db2.gz	FZLOSIBCWSWPHR-MSOLQXFVSA-N	0	3	313.445	2.741	20	30		DFEDHN
CCn1cnnc1C1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000332429814	427608505	/nfs/dbraw/zinc/60/85/05/427608505.db2.gz	DIFCLNGDUHCTDI-UHFFFAOYSA-N	0	3	309.417	2.858	20	30		DFEDHN
Cc1ncc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000279304846	427633093	/nfs/dbraw/zinc/63/30/93/427633093.db2.gz	MOGQWDDYLQYHJA-HNNXBMFYSA-N	0	3	324.409	2.664	20	30		DFEDHN
CN1CC[C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)[C@@H]2C1	ZINC000272180846	427662484	/nfs/dbraw/zinc/66/24/84/427662484.db2.gz	KIMVNPJMLQXXIV-CMPLNLGQSA-N	0	3	310.323	2.502	20	30		DFEDHN
Cc1cnccc1CN1CCCN(c2ccccc2C#N)CC1	ZINC000294867053	427663192	/nfs/dbraw/zinc/66/31/92/427663192.db2.gz	PYTIEEASPHYVBF-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1	ZINC000272319633	427708464	/nfs/dbraw/zinc/70/84/64/427708464.db2.gz	UCYYBKNSZLZXDD-IAQYHMDHSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@](C)(O)CC2)cc(OC)c1O	ZINC000279605926	427712569	/nfs/dbraw/zinc/71/25/69/427712569.db2.gz	FBZAAYULDSQMML-SFHVURJKSA-N	0	3	305.418	2.866	20	30		DFEDHN
CN(Cc1cccnc1)C[C@H]1CCN(CC#Cc2ccccc2)C1	ZINC000279828907	427718899	/nfs/dbraw/zinc/71/88/99/427718899.db2.gz	ZIVYORMKINPIOB-OAQYLSRUSA-N	0	3	319.452	2.887	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)OCC	ZINC000339368335	427761305	/nfs/dbraw/zinc/76/13/05/427761305.db2.gz	POFNTEZOQLIKQP-SJLPKXTDSA-N	0	3	318.461	2.994	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C#N	ZINC000336860888	427764279	/nfs/dbraw/zinc/76/42/79/427764279.db2.gz	VVZPGFPXFGDEOW-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)OCC	ZINC000339208142	427731138	/nfs/dbraw/zinc/73/11/38/427731138.db2.gz	CTVWVGQAIKLXAR-INIZCTEOSA-N	0	3	310.482	2.938	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194247784	427735984	/nfs/dbraw/zinc/73/59/84/427735984.db2.gz	ZKFJHPRLWVFBDJ-GOSISDBHSA-N	0	3	313.445	2.611	20	30		DFEDHN
N#Cc1cccc(NCc2ccc(CN3CCC(O)CC3)cc2)n1	ZINC000339219739	427736291	/nfs/dbraw/zinc/73/62/91/427736291.db2.gz	UBYLHTHSZKOZJZ-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1cccc(F)c1C#N)c1ccccc1	ZINC000186081561	427745350	/nfs/dbraw/zinc/74/53/50/427745350.db2.gz	MTRMERGOHVAVDR-QGZVFWFLSA-N	0	3	311.360	2.730	20	30		DFEDHN
Cc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1C#N	ZINC000336702477	427749656	/nfs/dbraw/zinc/74/96/56/427749656.db2.gz	FEKOEULKZKCUIP-GOSISDBHSA-N	0	3	306.413	3.338	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)[C@@H]2C[C@H](OCC)C2(C)C)C1=O	ZINC000337176330	427810413	/nfs/dbraw/zinc/81/04/13/427810413.db2.gz	JHDRQTSMXGQBLO-XHSDSOJGSA-N	0	3	308.466	2.689	20	30		DFEDHN
CCc1nnc(NC[C@H]2CCCCN2CC)c(C#N)c1CC	ZINC000301640514	427812022	/nfs/dbraw/zinc/81/20/22/427812022.db2.gz	YMVYMYUJLVZSAS-CYBMUJFWSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](CO)(C(C)C)C1	ZINC000339700696	427814792	/nfs/dbraw/zinc/81/47/92/427814792.db2.gz	DUTYJGKTWYTTJK-FUHWJXTLSA-N	0	3	310.482	2.530	20	30		DFEDHN
CC(C)(CCC#N)CNCc1cc(S(C)(=O)=O)ccc1F	ZINC000337237110	427820966	/nfs/dbraw/zinc/82/09/66/427820966.db2.gz	COPZDDNCWHPCMA-UHFFFAOYSA-N	0	3	312.410	2.649	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1	ZINC000301885852	427832506	/nfs/dbraw/zinc/83/25/06/427832506.db2.gz	POBDWYNLDHQRFE-OALUTQOASA-N	0	3	307.397	2.606	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OC)C1(CC)CC	ZINC000359422521	427846233	/nfs/dbraw/zinc/84/62/33/427846233.db2.gz	LKFPGUOWJOTIOB-HRCADAONSA-N	0	3	310.482	2.983	20	30		DFEDHN
CC(C)(O)CN1CCc2c(cccc2Nc2ccc(C#N)cn2)C1	ZINC000302186772	427848597	/nfs/dbraw/zinc/84/85/97/427848597.db2.gz	UMBCOCUDHLGNFF-UHFFFAOYSA-N	0	3	322.412	2.826	20	30		DFEDHN
C=CC[C@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000349836355	427875710	/nfs/dbraw/zinc/87/57/10/427875710.db2.gz	RZPRMPSFABPMHH-VXGBXAGGSA-N	0	3	306.797	2.508	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C)(C#N)CC1	ZINC000355768443	427882176	/nfs/dbraw/zinc/88/21/76/427882176.db2.gz	OVBKVMOOSDOATN-GASCZTMLSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C)(C#N)CC1	ZINC000355773946	427884106	/nfs/dbraw/zinc/88/41/06/427884106.db2.gz	OAUUMTFPMBJCAT-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CCOC(C)C	ZINC000349876893	427886576	/nfs/dbraw/zinc/88/65/76/427886576.db2.gz	DKGNAZPIMOTICA-SFHVURJKSA-N	0	3	302.418	2.722	20	30		DFEDHN
CC[C@H]1C[C@@]1(NCCC(=O)N(C)CCC#N)c1cccc(C)c1	ZINC000337419273	427896010	/nfs/dbraw/zinc/89/60/10/427896010.db2.gz	QFJZRUKAMUFESK-LPHOPBHVSA-N	0	3	313.445	2.972	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1	ZINC000303054571	427896937	/nfs/dbraw/zinc/89/69/37/427896937.db2.gz	ZBECYAJUCBTSEV-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2OC(F)F)cc1	ZINC000337432675	427901090	/nfs/dbraw/zinc/90/10/90/427901090.db2.gz	VPNVXCRMRBXENU-ZIAGYGMSSA-N	0	3	323.343	2.637	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000350728971	427966355	/nfs/dbraw/zinc/96/63/55/427966355.db2.gz	HFRPEZFJCVXZMW-ILXRZTDVSA-N	0	3	305.470	2.897	20	30		DFEDHN
CC#CCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000341077052	427986976	/nfs/dbraw/zinc/98/69/76/427986976.db2.gz	XOZXHJJQHJHEQV-MRXNPFEDSA-N	0	3	302.393	2.519	20	30		DFEDHN
CC#CCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000341077051	427987115	/nfs/dbraw/zinc/98/71/15/427987115.db2.gz	XOZXHJJQHJHEQV-INIZCTEOSA-N	0	3	302.393	2.519	20	30		DFEDHN
CC(C)(C#N)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000350072936	427932631	/nfs/dbraw/zinc/93/26/31/427932631.db2.gz	JNAMXRRVABKDOA-ZDUSSCGKSA-N	0	3	317.393	2.806	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	ZINC000359616758	427937650	/nfs/dbraw/zinc/93/76/50/427937650.db2.gz	JWKAUVZDLJWMAQ-ZWNOBZJWSA-N	0	3	312.291	2.765	20	30		DFEDHN
COCCn1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1	ZINC000337535371	427948487	/nfs/dbraw/zinc/94/84/87/427948487.db2.gz	FXUQEGTZGFPRKY-LJQANCHMSA-N	0	3	324.428	2.958	20	30		DFEDHN
Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1	ZINC000341224235	428021263	/nfs/dbraw/zinc/02/12/63/428021263.db2.gz	XBHJLDLYQCSJFU-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000359814735	428028414	/nfs/dbraw/zinc/02/84/14/428028414.db2.gz	YUFJPDZVRSYYLK-KRWDZBQOSA-N	0	3	311.360	2.730	20	30		DFEDHN
C=CCOCCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000369708490	428040388	/nfs/dbraw/zinc/04/03/88/428040388.db2.gz	FAJYILQPBVTOGW-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCOCCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000369708489	428042219	/nfs/dbraw/zinc/04/22/19/428042219.db2.gz	FAJYILQPBVTOGW-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
Cc1nsc(NC[C@H](Cc2ccccc2)N(C)C)c1C#N	ZINC000341373734	428050571	/nfs/dbraw/zinc/05/05/71/428050571.db2.gz	BZXSHVRBEGJPSI-AWEZNQCLSA-N	0	3	300.431	2.908	20	30		DFEDHN
C=CCCC1(C(=O)Nc2ccnc(OCCN(C)C)c2)CC1	ZINC000359876479	428058378	/nfs/dbraw/zinc/05/83/78/428058378.db2.gz	MMFLFOZPHXWJDU-UHFFFAOYSA-N	0	3	303.406	2.707	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000341204683	428012023	/nfs/dbraw/zinc/01/20/23/428012023.db2.gz	QBVSZMLMCIVCDD-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000369815331	428068380	/nfs/dbraw/zinc/06/83/80/428068380.db2.gz	YPBBIECKTYDRAM-DZKIICNBSA-N	0	3	319.474	2.842	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369821119	428068847	/nfs/dbraw/zinc/06/88/47/428068847.db2.gz	DYZMLFWSDVFFEF-JQFCIGGWSA-N	0	3	301.434	2.868	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000369907488	428085342	/nfs/dbraw/zinc/08/53/42/428085342.db2.gz	YXABWUFDWBAAHC-SJLPKXTDSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CC[C@]2(C1)CCCN(C)C2	ZINC000356252864	428089308	/nfs/dbraw/zinc/08/93/08/428089308.db2.gz	KFMOMKCAIINHEJ-GOSISDBHSA-N	0	3	308.466	2.694	20	30		DFEDHN
N#Cc1c(NCCN2CCCCC2)nc2cc(Cl)ccn12	ZINC000341533790	428094242	/nfs/dbraw/zinc/09/42/42/428094242.db2.gz	NDWHLHVZYATINH-UHFFFAOYSA-N	0	3	303.797	2.757	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000370065395	428124789	/nfs/dbraw/zinc/12/47/89/428124789.db2.gz	BJEJROGMCXHWBE-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
CSC1(CNC(=O)Nc2cccc(C#N)c2)CCN(C)CC1	ZINC000352391731	428133655	/nfs/dbraw/zinc/13/36/55/428133655.db2.gz	OFNODGARJPSGBJ-UHFFFAOYSA-N	0	3	318.446	2.507	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CN1C1CC1	ZINC000356352193	428139185	/nfs/dbraw/zinc/13/91/85/428139185.db2.gz	LIMQOBOCEBTPCV-OIISXLGYSA-N	0	3	311.429	2.815	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356366592	428145687	/nfs/dbraw/zinc/14/56/87/428145687.db2.gz	WJJNKEYFGYMJJI-KYJSFNMBSA-N	0	3	311.429	2.673	20	30		DFEDHN
CN(C)CCN(c1ccc(C#N)c([N+](=O)[O-])c1)C1CCCC1	ZINC000360081565	428152346	/nfs/dbraw/zinc/15/23/46/428152346.db2.gz	GKVPHNPBLYYFGH-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1	ZINC000346407028	428160976	/nfs/dbraw/zinc/16/09/76/428160976.db2.gz	GUKZAPCHNMXVHK-MVJTYMMSSA-N	0	3	311.429	2.625	20	30		DFEDHN
CCn1cccc(NC(=O)C(C#N)CCc2ccccc2)c1=O	ZINC000413893014	428164491	/nfs/dbraw/zinc/16/44/91/428164491.db2.gz	KQEWSDILMRPHDH-OAHLLOKOSA-N	0	3	309.369	2.579	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)C(C)C	ZINC000413970498	428175394	/nfs/dbraw/zinc/17/53/94/428175394.db2.gz	GLQITCIGQPCBHD-ULQDDVLXSA-N	0	3	302.418	2.671	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1)C(C)C	ZINC000370296638	428180552	/nfs/dbraw/zinc/18/05/52/428180552.db2.gz	IAYQCYWMLUIEQP-YCPHGPKFSA-N	0	3	319.474	2.698	20	30		DFEDHN
CCS[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000346536157	428208604	/nfs/dbraw/zinc/20/86/04/428208604.db2.gz	WHQIMJOZFYDELN-MGPQQGTHSA-N	0	3	309.479	2.591	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C	ZINC000346570330	428221923	/nfs/dbraw/zinc/22/19/23/428221923.db2.gz	JNUSKULRSMKGMD-MNOVXSKESA-N	0	3	309.772	2.676	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C	ZINC000346570328	428223102	/nfs/dbraw/zinc/22/31/02/428223102.db2.gz	JNUSKULRSMKGMD-GHMZBOCLSA-N	0	3	309.772	2.676	20	30		DFEDHN
CN(Cc1cnc2ccc(C#N)cn12)C1Cc2ccccc2C1	ZINC000352669934	428194505	/nfs/dbraw/zinc/19/45/05/428194505.db2.gz	CBVKYUOJLCWPOL-UHFFFAOYSA-N	0	3	302.381	2.805	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C	ZINC000346671855	428264813	/nfs/dbraw/zinc/26/48/13/428264813.db2.gz	VYCCEKSZHVRSHO-DZGCQCFKSA-N	0	3	300.402	2.871	20	30		DFEDHN
N#Cc1csc(CNC[C@H]2CCCN2Cc2ccccc2)n1	ZINC000352837629	428274583	/nfs/dbraw/zinc/27/45/83/428274583.db2.gz	OTQSGCPGCDEJBF-MRXNPFEDSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCCC[C@H]1CCO	ZINC000356727428	428286276	/nfs/dbraw/zinc/28/62/76/428286276.db2.gz	CRMHBZZNXVBKLP-MSOLQXFVSA-N	0	3	314.429	2.913	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360302546	428242120	/nfs/dbraw/zinc/24/21/20/428242120.db2.gz	IIOOJHXSTAYJII-PBHICJAKSA-N	0	3	301.434	2.754	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1CCN(C)C	ZINC000346629196	428246563	/nfs/dbraw/zinc/24/65/63/428246563.db2.gz	MHSNQXMMEWEVKC-DOTOQJQBSA-N	0	3	302.418	2.710	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1	ZINC000414321695	428261651	/nfs/dbraw/zinc/26/16/51/428261651.db2.gz	UJICHWYUSUPZEL-XPKDYRNWSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cn(-c2cccc(F)c2)nc1C	ZINC000414459651	428305485	/nfs/dbraw/zinc/30/54/85/428305485.db2.gz	MHJLSQDRNHLFRF-MRXNPFEDSA-N	0	3	303.381	2.737	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cc(C#N)ccc3F)C[C@@H]1CCCC2	ZINC000342157699	428327329	/nfs/dbraw/zinc/32/73/29/428327329.db2.gz	QSHSPDFCUJDROU-MAUKXSAKSA-N	0	3	316.376	2.863	20	30		DFEDHN
N#CCNC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1	ZINC000342211537	428351207	/nfs/dbraw/zinc/35/12/07/428351207.db2.gz	UUESOSGAEHORRV-UHFFFAOYSA-N	0	3	303.381	2.600	20	30		DFEDHN
CC(C)[C@](C)(CO)NCc1ccc(C#N)cc1Br	ZINC000352892842	428302290	/nfs/dbraw/zinc/30/22/90/428302290.db2.gz	MOAUOPKZXJYNEL-AWEZNQCLSA-N	0	3	311.223	2.817	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H]1Cn1nc(C)nc1C	ZINC000371410208	428389089	/nfs/dbraw/zinc/38/90/89/428389089.db2.gz	RMTANPAENMCEAD-SFHVURJKSA-N	0	3	324.428	2.572	20	30		DFEDHN
C=CCN(C(=O)COC(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371591948	428397994	/nfs/dbraw/zinc/39/79/94/428397994.db2.gz	XEAAIUFYTLHUCD-GOSISDBHSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@H]2CCCOC2)CC1	ZINC000371637774	428398574	/nfs/dbraw/zinc/39/85/74/428398574.db2.gz	LJVDYEYRFABEDQ-AEFFLSMTSA-N	0	3	320.477	2.714	20	30		DFEDHN
N#Cc1ncn(CCNCc2cc(-c3ccccc3)cs2)n1	ZINC000353036428	428364679	/nfs/dbraw/zinc/36/46/79/428364679.db2.gz	GNWPUSYMYPCCFU-UHFFFAOYSA-N	0	3	309.398	2.668	20	30		DFEDHN
Cc1ccccc1-c1cccc(CNCCn2cnc(C#N)n2)c1	ZINC000353045209	428369350	/nfs/dbraw/zinc/36/93/50/428369350.db2.gz	HMAPFLHQFULHMC-UHFFFAOYSA-N	0	3	317.396	2.915	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000342285302	428382319	/nfs/dbraw/zinc/38/23/19/428382319.db2.gz	UJXFIGGHMQQJIA-HOCLYGCPSA-N	0	3	323.396	2.934	20	30		DFEDHN
CC(C)n1nc2c(cc1=O)CN(CC(C)(C)CCC#N)CC2	ZINC000371328795	428383886	/nfs/dbraw/zinc/38/38/86/428383886.db2.gz	ZBZYEBQRDBUCLG-UHFFFAOYSA-N	0	3	302.422	2.512	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000347106507	428446359	/nfs/dbraw/zinc/44/63/59/428446359.db2.gz	LUSHDAKWTIVECC-CHWSQXEVSA-N	0	3	322.368	2.671	20	30		DFEDHN
N#CCc1ccc(CN2CCCN(c3nccs3)CC2)cc1	ZINC000342764219	428448265	/nfs/dbraw/zinc/44/82/65/428448265.db2.gz	GMXQECNJCWLEAW-UHFFFAOYSA-N	0	3	312.442	2.921	20	30		DFEDHN
CCOC(=O)c1sc2ccsc2c1CNC(=O)C(C)C#N	ZINC000347107201	428448838	/nfs/dbraw/zinc/44/88/38/428448838.db2.gz	MSYQMFJFQAQMBA-MRVPVSSYSA-N	0	3	322.411	2.915	20	30		DFEDHN
C[C@H]1OCC[C@]1(O)CN(CCC(C)(C)C#N)Cc1ccccc1	ZINC000347111445	428451980	/nfs/dbraw/zinc/45/19/80/428451980.db2.gz	YDXMGSZNCYLOCY-APWZRJJASA-N	0	3	316.445	2.968	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCC)CCN1CCCCC1	ZINC000342797295	428458007	/nfs/dbraw/zinc/45/80/07/428458007.db2.gz	QRERKAYYCUYVTO-IAGOWNOFSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	ZINC000347129562	428458334	/nfs/dbraw/zinc/45/83/34/428458334.db2.gz	VXTATGPKUHCSMI-SECBINFHSA-N	0	3	324.302	2.685	20	30		DFEDHN
CSCC[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1	ZINC000347131249	428461683	/nfs/dbraw/zinc/46/16/83/428461683.db2.gz	ITGDYGQHFDNLOV-GXFFZTMASA-N	0	3	302.403	2.633	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cc(C#N)cs3)C[C@@H]1CCCC2	ZINC000342829106	428464245	/nfs/dbraw/zinc/46/42/45/428464245.db2.gz	ZTZZNGOJOSNXTG-XJKSGUPXSA-N	0	3	304.415	2.785	20	30		DFEDHN
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C(C)C#N)cc1	ZINC000347050638	428425285	/nfs/dbraw/zinc/42/52/85/428425285.db2.gz	ONHALYINZSBRFC-UKRRQHHQSA-N	0	3	302.374	2.654	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000342436485	428426368	/nfs/dbraw/zinc/42/63/68/428426368.db2.gz	MNPNBPGYVOTHSJ-QPUJVOFHSA-N	0	3	301.173	2.693	20	30		DFEDHN
COc1ccc(Oc2cc(CNC(=O)C(C)C#N)ccn2)cc1	ZINC000347069069	428431287	/nfs/dbraw/zinc/43/12/87/428431287.db2.gz	MWHWQQUMTOMXRE-LBPRGKRZSA-N	0	3	311.341	2.658	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)C(C)C	ZINC000342900100	428485282	/nfs/dbraw/zinc/48/52/82/428485282.db2.gz	YWJFHTVSSCHSAC-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C	ZINC000353332920	428490485	/nfs/dbraw/zinc/49/04/85/428490485.db2.gz	RBZKMWCMFYSTIR-BLLLJJGKSA-N	0	3	317.408	2.574	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(C[C@H](C)O)[C@@H](CC)C1	ZINC000353364650	428503033	/nfs/dbraw/zinc/50/30/33/428503033.db2.gz	OBEBBBASSXYWMP-WMZOPIPTSA-N	0	3	318.461	2.528	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@H]2CCc3ccc(C#N)cc32)c1	ZINC000353382485	428514320	/nfs/dbraw/zinc/51/43/20/428514320.db2.gz	HRPLBQRNZAKBTP-PXNSSMCTSA-N	0	3	322.408	2.884	20	30		DFEDHN
CC(C)Cn1ccnc1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21	ZINC000373185284	428520010	/nfs/dbraw/zinc/52/00/10/428520010.db2.gz	IAKDXUJNLUDIPW-TWMKSMIVSA-N	0	3	316.449	2.869	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C(=O)OC)[C@H]2C)cc(OC)c1O	ZINC000347272389	428521582	/nfs/dbraw/zinc/52/15/82/428521582.db2.gz	DJZGCKYFQLRPPN-IUODEOHRSA-N	0	3	319.401	2.513	20	30		DFEDHN
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2N[C@@H](CCO)c2ccco2)O1	ZINC000373238488	428524411	/nfs/dbraw/zinc/52/44/11/428524411.db2.gz	BDKDETZJUSUWEK-DGXTUMSLSA-N	0	3	304.390	2.533	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)CC1CCCC1)CC2	ZINC000353411104	428527454	/nfs/dbraw/zinc/52/74/54/428527454.db2.gz	JNCPRJRMDOHDPB-SFHVURJKSA-N	0	3	311.429	2.832	20	30		DFEDHN
C=CCN(C(=O)c1cccn1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372599097	428475318	/nfs/dbraw/zinc/47/53/18/428475318.db2.gz	IGQKZQMILSIHOU-GOSISDBHSA-N	0	3	323.440	2.928	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353536902	428583809	/nfs/dbraw/zinc/58/38/09/428583809.db2.gz	CRIYJJSCMIIBKH-HNNXBMFYSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=CCOc1cc(OC)ccc1C(=O)N(CCC)CCN(C)C	ZINC000361651097	428585269	/nfs/dbraw/zinc/58/52/69/428585269.db2.gz	QXIDVERJNLNJLK-UHFFFAOYSA-N	0	3	320.433	2.674	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCC(=O)N2	ZINC000353435999	428533235	/nfs/dbraw/zinc/53/32/35/428533235.db2.gz	NOERYELLIKZTFD-LBPRGKRZSA-N	0	3	307.353	2.740	20	30		DFEDHN
COc1ccc(CNC(=O)C(C)C#N)c(OC2CCCC2)c1	ZINC000357594831	428547926	/nfs/dbraw/zinc/54/79/26/428547926.db2.gz	CZEFAFZMBBHKRO-LBPRGKRZSA-N	0	3	302.374	2.792	20	30		DFEDHN
N#CC(C(=O)c1ccc2cc[nH]c2n1)c1nc2ccccc2[nH]1	ZINC000347334611	428550365	/nfs/dbraw/zinc/55/03/65/428550365.db2.gz	RJQQHXDBJFCDHP-NSHDSACASA-N	0	3	301.309	2.929	20	30		DFEDHN
C=CCC[C@H](NC[C@H](C)N1CCN(CC)CC1)c1ccco1	ZINC000353466340	428551079	/nfs/dbraw/zinc/55/10/79/428551079.db2.gz	YOQXALNFTWWJIF-IRXDYDNUSA-N	0	3	305.466	2.903	20	30		DFEDHN
CN(CCCC(=O)OC(C)(C)C)CCOc1ccccc1C#N	ZINC000343525704	428556021	/nfs/dbraw/zinc/55/60/21/428556021.db2.gz	JNNOKVTVIAJVQP-UHFFFAOYSA-N	0	3	318.417	2.991	20	30		DFEDHN
CCN(CCc1ccccc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000343585662	428562973	/nfs/dbraw/zinc/56/29/73/428562973.db2.gz	COYBPRTYDIMUAS-VQIMIIECSA-N	0	3	315.461	2.994	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000358307921	428594538	/nfs/dbraw/zinc/59/45/38/428594538.db2.gz	LDMMGLRCVJQXSP-RDDDGLTNSA-N	0	3	320.698	2.668	20	30		DFEDHN
N#CC(C(=O)c1cccc(C(N)=O)c1)c1nccc2ccccc21	ZINC000361524316	428574327	/nfs/dbraw/zinc/57/43/27/428574327.db2.gz	KEEIYNNIFFCMGM-INIZCTEOSA-N	0	3	315.332	2.824	20	30		DFEDHN
CC[C@@H](CC#N)NCc1ccccc1N1CCN(CC)CC1	ZINC000358291315	428594795	/nfs/dbraw/zinc/59/47/95/428594795.db2.gz	SQMVKXBKUZJKJK-KRWDZBQOSA-N	0	3	300.450	2.610	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1	ZINC000361566024	428579831	/nfs/dbraw/zinc/57/98/31/428579831.db2.gz	PMOXBZRJFOOVDK-DTWKUNHWSA-N	0	3	313.170	2.795	20	30		DFEDHN
N#Cc1ccccc1CN1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000373511726	428596375	/nfs/dbraw/zinc/59/63/75/428596375.db2.gz	BHWOMMQEFMWJPO-IBGZPJMESA-N	0	3	303.365	2.654	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)c1ccc(NC(=O)N(CC)CC)cc1	ZINC000353570863	428599472	/nfs/dbraw/zinc/59/94/72/428599472.db2.gz	UBKOHQSFRONLOP-UKRRQHHQSA-N	0	3	305.422	2.758	20	30		DFEDHN
C[C@@H](CC#N)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415953465	428634507	/nfs/dbraw/zinc/63/45/07/428634507.db2.gz	MMVXALPGPKOXGD-QMMMGPOBSA-N	0	3	300.284	2.588	20	30		DFEDHN
C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1	ZINC000347672581	428620623	/nfs/dbraw/zinc/62/06/23/428620623.db2.gz	JUUGHKOODGSOGZ-QWQRMKEZSA-N	0	3	307.397	2.866	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C	ZINC000347613000	428621293	/nfs/dbraw/zinc/62/12/93/428621293.db2.gz	ZXNDYJLIBFGXMS-AOIWGVFYSA-N	0	3	302.462	2.908	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2sccc2C#N)c1	ZINC000353615372	428623462	/nfs/dbraw/zinc/62/34/62/428623462.db2.gz	AUQGTQZUXPWWTB-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](NCc1ccc(C#N)cc1F)CC2	ZINC000344116351	428623810	/nfs/dbraw/zinc/62/38/10/428623810.db2.gz	NSKDKIVJCKQWBP-AWEZNQCLSA-N	0	3	313.380	2.517	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccon1)C(C)C	ZINC000347789846	428625889	/nfs/dbraw/zinc/62/58/89/428625889.db2.gz	DQBSWLVFSPOZHA-GOEBONIOSA-N	0	3	320.437	2.733	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)c2ccc(C)s2)CC1	ZINC000348046160	428634824	/nfs/dbraw/zinc/63/48/24/428634824.db2.gz	DRWFJRNHGDPBKE-UHFFFAOYSA-N	0	3	322.474	2.843	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)c2ccsc2)CC1	ZINC000347970220	428632143	/nfs/dbraw/zinc/63/21/43/428632143.db2.gz	MNMXMNXLAPBCGV-UHFFFAOYSA-N	0	3	308.447	2.535	20	30		DFEDHN
C=CCOCCCN1CCCC[C@@H]1c1ccc(C(=O)NC)n1C	ZINC000348082623	428637681	/nfs/dbraw/zinc/63/76/81/428637681.db2.gz	JPTSWABVQHEUEP-MRXNPFEDSA-N	0	3	319.449	2.504	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000348155848	428642119	/nfs/dbraw/zinc/64/21/19/428642119.db2.gz	CHGINUDXWMUKSY-GDBMZVCRSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cn1cc(CNCC2(CC#N)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000373777786	428647463	/nfs/dbraw/zinc/64/74/63/428647463.db2.gz	OUPRHYFSOGAXHX-UHFFFAOYSA-N	0	3	305.385	2.742	20	30		DFEDHN
C#CCCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000373990146	428661158	/nfs/dbraw/zinc/66/11/58/428661158.db2.gz	OBKCIBGBROQDCG-LJQANCHMSA-N	0	3	313.445	2.611	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCOC)C[C@@H]1CC=CCC1	ZINC000362243883	428673160	/nfs/dbraw/zinc/67/31/60/428673160.db2.gz	GGQPTTFUPPSWFY-QGZVFWFLSA-N	0	3	308.466	2.716	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C#N)C[C@H]1C	ZINC000410725120	428705433	/nfs/dbraw/zinc/70/54/33/428705433.db2.gz	YFNHVGKBVMOHDP-AYBZRNKSSA-N	0	3	313.445	2.809	20	30		DFEDHN
C=C[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000353776526	428709501	/nfs/dbraw/zinc/70/95/01/428709501.db2.gz	RPGMXIAURKOAGB-UKRRQHHQSA-N	0	3	308.372	2.835	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@H](C(C)=O)C2(C)C)CC1	ZINC000353778010	428710412	/nfs/dbraw/zinc/71/04/12/428710412.db2.gz	ZBOYIOXLNJTCCT-NVXWUHKLSA-N	0	3	320.477	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@@H](C(C)=O)C2(C)C)CC1	ZINC000353778011	428710436	/nfs/dbraw/zinc/71/04/36/428710436.db2.gz	ZBOYIOXLNJTCCT-RDJZCZTQSA-N	0	3	320.477	2.785	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416344127	428722151	/nfs/dbraw/zinc/72/21/51/428722151.db2.gz	UZVJKUBPVNSARS-QWQRMKEZSA-N	0	3	311.429	2.925	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2	ZINC000362383210	428727205	/nfs/dbraw/zinc/72/72/05/428727205.db2.gz	JJCQFSOMAMKVLY-OAHLLOKOSA-N	0	3	321.465	2.823	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N(C)C[C@H]1CCN(C)C1	ZINC000362387962	428728015	/nfs/dbraw/zinc/72/80/15/428728015.db2.gz	CQOKOODBEVQIAY-AWEZNQCLSA-N	0	3	304.459	2.988	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1cc(C#N)cs1)C2	ZINC000348388680	428728415	/nfs/dbraw/zinc/72/84/15/428728415.db2.gz	FKKKWGDWYUHVPN-ZDUSSCGKSA-N	0	3	300.383	2.722	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000358800436	428681042	/nfs/dbraw/zinc/68/10/42/428681042.db2.gz	BNKADNFXMQZLRP-JKSUJKDBSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCCN(CC)CC1	ZINC000358804077	428682882	/nfs/dbraw/zinc/68/28/82/428682882.db2.gz	IGTCKCUSDBROBN-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cscc2C#N)C1	ZINC000410463073	428689476	/nfs/dbraw/zinc/68/94/76/428689476.db2.gz	BDDHZEZUZCHQLW-AWEZNQCLSA-N	0	3	311.410	2.753	20	30		DFEDHN
C=CCOc1cc(OC)ccc1C(=O)C(C#N)c1ccncn1	ZINC000362287570	428690462	/nfs/dbraw/zinc/69/04/62/428690462.db2.gz	OZCKEWPULNBQFN-AWEZNQCLSA-N	0	3	309.325	2.540	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000348276631	428690647	/nfs/dbraw/zinc/69/06/47/428690647.db2.gz	LBYHHAQVTZBCTJ-CABCVRRESA-N	0	3	324.409	2.965	20	30		DFEDHN
Cn1nccc1[C@@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000345108547	428755279	/nfs/dbraw/zinc/75/52/79/428755279.db2.gz	VMHYPZSFFSAKFC-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc(C#N)c1	ZINC000348529049	428773167	/nfs/dbraw/zinc/77/31/67/428773167.db2.gz	JNCWWTKEARBGPQ-LEWSCRJBSA-N	0	3	323.343	2.635	20	30		DFEDHN
C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)CCCC#N	ZINC000374878548	428773836	/nfs/dbraw/zinc/77/38/36/428773836.db2.gz	IAUKLIUVEBJCLM-SJLPKXTDSA-N	0	3	301.434	2.511	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)CCC#N)C1	ZINC000411302826	428775859	/nfs/dbraw/zinc/77/58/59/428775859.db2.gz	ZXFOSOKKHFACKM-STQMWFEESA-N	0	3	319.371	2.801	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000359021139	428777947	/nfs/dbraw/zinc/77/79/47/428777947.db2.gz	TYESGEJWCXDYFE-ZOBUZTSGSA-N	0	3	301.434	2.913	20	30		DFEDHN
Cc1cccc(NC(=O)[C@H]2CCCN([C@H](C)CCC#N)C2)n1	ZINC000411340819	428778435	/nfs/dbraw/zinc/77/84/35/428778435.db2.gz	OTEJWASPAMSSKX-CABCVRRESA-N	0	3	300.406	2.733	20	30		DFEDHN
C=C(C)COc1cc(CN(C)[C@H]2CCC[C@H]2O)ccc1OC	ZINC000348554981	428786934	/nfs/dbraw/zinc/78/69/34/428786934.db2.gz	MXCGHXDRYSYWMR-JKSUJKDBSA-N	0	3	305.418	2.995	20	30		DFEDHN
C#CCCN1CCCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000362452534	428751642	/nfs/dbraw/zinc/75/16/42/428751642.db2.gz	JFCHGFAJEGPZDL-UHFFFAOYSA-N	0	3	306.413	2.679	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CCCN(CCC)CC1)c1ccccc1	ZINC000362726628	428801264	/nfs/dbraw/zinc/80/12/64/428801264.db2.gz	QGHKDDOFYSUYSO-SFHVURJKSA-N	0	3	313.445	2.878	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000362703091	428801438	/nfs/dbraw/zinc/80/14/38/428801438.db2.gz	HCUOBLFEBCFBJY-ZOBUZTSGSA-N	0	3	301.434	2.771	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(CO)c1)C(C)C	ZINC000362763778	428803936	/nfs/dbraw/zinc/80/39/36/428803936.db2.gz	WDSMZJIKEBDFKA-SFHVURJKSA-N	0	3	316.445	2.607	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1Cl	ZINC000411634620	428827271	/nfs/dbraw/zinc/82/72/71/428827271.db2.gz	ADNGQSQRRCLETG-UHFFFAOYSA-N	0	3	309.841	2.718	20	30		DFEDHN
C=CCN(C)CCN(CC)CCc1nc(-c2ccccc2)no1	ZINC000411638830	428829969	/nfs/dbraw/zinc/82/99/69/428829969.db2.gz	HYHVMAJBPYXMRR-UHFFFAOYSA-N	0	3	314.433	2.719	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)c1nnnn1C1CCCCC1	ZINC000411643500	428831981	/nfs/dbraw/zinc/83/19/81/428831981.db2.gz	IEIIIWYWFYRPPM-HNNXBMFYSA-N	0	3	320.485	2.679	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1csc(N(C)C2CC2)n1	ZINC000411643720	428832351	/nfs/dbraw/zinc/83/23/51/428832351.db2.gz	PUHCPDMTISWWID-UHFFFAOYSA-N	0	3	308.495	2.681	20	30		DFEDHN
CN(CCCNC(=O)c1ccc(C#N)s1)Cc1ccccc1	ZINC000362983276	428832487	/nfs/dbraw/zinc/83/24/87/428832487.db2.gz	SMCGZXUJWMELBE-UHFFFAOYSA-N	0	3	313.426	2.872	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1C	ZINC000418141910	428888750	/nfs/dbraw/zinc/88/87/50/428888750.db2.gz	GOZIPXMWHKZKNB-QGZVFWFLSA-N	0	3	323.396	2.851	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000359256695	428891796	/nfs/dbraw/zinc/89/17/96/428891796.db2.gz	UDROQUVYQDUNQC-LSDHHAIUSA-N	0	3	317.481	2.726	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCCN(Cc3cccnc3)C2)o1	ZINC000363263813	428896117	/nfs/dbraw/zinc/89/61/17/428896117.db2.gz	BWQFHINRCARGJA-INIZCTEOSA-N	0	3	310.401	2.548	20	30		DFEDHN
CN(C)C1(CNc2c(C#N)cnc3ccc(Cl)cc32)CC1	ZINC000419011933	428926788	/nfs/dbraw/zinc/92/67/88/428926788.db2.gz	UMIDVTHDCSZJIC-UHFFFAOYSA-N	0	3	300.793	2.688	20	30		DFEDHN
C=CCN(C[C@@H](CC)OC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000419210490	428929765	/nfs/dbraw/zinc/92/97/65/428929765.db2.gz	VCGTYHAGUPNEGS-RHSMWYFYSA-N	0	3	315.421	2.636	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1	ZINC000412056764	428931280	/nfs/dbraw/zinc/93/12/80/428931280.db2.gz	PIHIXPWYKPDQHK-GOSISDBHSA-N	0	3	311.429	2.730	20	30		DFEDHN
Cc1ccc(CC(C)(C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000419334824	428931276	/nfs/dbraw/zinc/93/12/76/428931276.db2.gz	NREMYMATPGMKHM-IBGZPJMESA-N	0	3	315.461	2.960	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCCC[C@H]1Cn1cccn1	ZINC000375784441	428971519	/nfs/dbraw/zinc/97/15/19/428971519.db2.gz	BNELLJVRFKISQX-KRWDZBQOSA-N	0	3	310.401	2.688	20	30		DFEDHN
CC(C#N)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000359357537	428937120	/nfs/dbraw/zinc/93/71/20/428937120.db2.gz	DYCZNYZSCMQVOP-QMMMGPOBSA-N	0	3	314.172	2.598	20	30		DFEDHN
C=CCC[C@@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1	ZINC000419970994	428945979	/nfs/dbraw/zinc/94/59/79/428945979.db2.gz	CSEYAPUGHVXHMT-IEBWSBKVSA-N	0	3	318.461	2.555	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCSCC(F)(F)F)n2c1	ZINC000354282514	428952073	/nfs/dbraw/zinc/95/20/73/428952073.db2.gz	OMNPYIMBDOFVCE-UHFFFAOYSA-N	0	3	314.336	2.591	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc(C#N)s1	ZINC000420788835	428963482	/nfs/dbraw/zinc/96/34/82/428963482.db2.gz	LKCWMCVFPXGPSK-BETUJISGSA-N	0	3	320.462	2.682	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC[C@@H](C)C1	ZINC000420794344	428963680	/nfs/dbraw/zinc/96/36/80/428963680.db2.gz	RNMVQMPXTDSGJX-CHWSQXEVSA-N	0	3	320.462	2.539	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC(C)CC1	ZINC000420806626	428963962	/nfs/dbraw/zinc/96/39/62/428963962.db2.gz	PPBRMVJXXKFBBM-CYBMUJFWSA-N	0	3	320.462	2.539	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC#N)N(C)C	ZINC000355089114	429026976	/nfs/dbraw/zinc/02/69/76/429026976.db2.gz	VXPAERADCOFTMA-HOCLYGCPSA-N	0	3	302.422	2.589	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC(C)(C)C#N)N(C)C	ZINC000355084899	429027417	/nfs/dbraw/zinc/02/74/17/429027417.db2.gz	PJBYQUFRAUHVQZ-GOEBONIOSA-N	0	3	316.449	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-n3cccn3)c(C)c2)CC1	ZINC000421766320	429029413	/nfs/dbraw/zinc/02/94/13/429029413.db2.gz	DQXTZOPRJLGELH-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
COC1([C@@H](C)NCC#Cc2cccc(Cl)c2)CCOCC1	ZINC000421031445	428976651	/nfs/dbraw/zinc/97/66/51/428976651.db2.gz	KGQWGSRIKBSQCD-CQSZACIVSA-N	0	3	307.821	2.865	20	30		DFEDHN
COC1([C@H](C)NCc2ccc(C#N)cc2Cl)CCOCC1	ZINC000421029785	428978389	/nfs/dbraw/zinc/97/83/89/428978389.db2.gz	ISMYBPMANFFSOD-LBPRGKRZSA-N	0	3	308.809	2.885	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@@H](O)C2)cc1OCCCC#N	ZINC000349407596	428985035	/nfs/dbraw/zinc/98/50/35/428985035.db2.gz	OODXXMMMMGDEPE-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)cc1OC(F)F	ZINC000354465900	428987964	/nfs/dbraw/zinc/98/79/64/428987964.db2.gz	LLZGQICNUUFROD-JTQLQIEISA-N	0	3	319.267	2.577	20	30		DFEDHN
CCCN(CC(=O)N(CC)CCC#N)[C@H]1C[C@@H](OCC)C1(C)C	ZINC000354467274	428988071	/nfs/dbraw/zinc/98/80/71/428988071.db2.gz	WVKWLNQKVCUYBK-JKSUJKDBSA-N	0	3	323.481	2.664	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1OC	ZINC000421361422	428990311	/nfs/dbraw/zinc/99/03/11/428990311.db2.gz	KXOKKHOWKIJNLA-GDBMZVCRSA-N	0	3	305.418	2.710	20	30		DFEDHN
C=CCN1CCC(N[C@H](c2ccccc2)c2cncnc2)CC1	ZINC000349456616	428991097	/nfs/dbraw/zinc/99/10/97/428991097.db2.gz	NQMGMICVSARCBI-LJQANCHMSA-N	0	3	308.429	2.806	20	30		DFEDHN
CC(C)(C)c1ccc(CCNC(=O)[C@H](N)CCCC#N)cc1	ZINC000424080840	429089362	/nfs/dbraw/zinc/08/93/62/429089362.db2.gz	IVOGUOVXOTUFPG-MRXNPFEDSA-N	0	3	301.434	2.664	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1Cl	ZINC000424104021	429090617	/nfs/dbraw/zinc/09/06/17/429090617.db2.gz	OABUJSQHEFWQQH-HOCLYGCPSA-N	0	3	319.836	2.895	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccc(F)cc1	ZINC000424124172	429093816	/nfs/dbraw/zinc/09/38/16/429093816.db2.gz	LPZRXYVLMCGVEN-CVEARBPZSA-N	0	3	303.381	2.900	20	30		DFEDHN
Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)c(OC(C)(C)C)c1	ZINC000424120350	429094522	/nfs/dbraw/zinc/09/45/22/429094522.db2.gz	GJYFVKTUGMGICP-HNNXBMFYSA-N	0	3	317.433	2.810	20	30		DFEDHN
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](N)CCCC#N	ZINC000424129072	429095797	/nfs/dbraw/zinc/09/57/97/429095797.db2.gz	SFUUINNVKYHAMZ-GOEBONIOSA-N	0	3	317.433	2.810	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)CCCC#N	ZINC000424135876	429095945	/nfs/dbraw/zinc/09/59/45/429095945.db2.gz	ZYCHNAUGQFONPP-XPKDYRNWSA-N	0	3	303.381	2.551	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000355436313	429045007	/nfs/dbraw/zinc/04/50/07/429045007.db2.gz	BVHNXYDAHCKNOM-HNNXBMFYSA-N	0	3	306.454	2.632	20	30		DFEDHN
CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)s1	ZINC000424146715	429097963	/nfs/dbraw/zinc/09/79/63/429097963.db2.gz	QDISELPDLQFQNM-VXGBXAGGSA-N	0	3	308.451	2.555	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCC1(O)CCC1	ZINC000421994011	429047662	/nfs/dbraw/zinc/04/76/62/429047662.db2.gz	NWODAWVBLKYCRB-MRXNPFEDSA-N	0	3	300.402	2.570	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C	ZINC000433839047	429054452	/nfs/dbraw/zinc/05/44/52/429054452.db2.gz	NZEOHMFCPFQAAR-JSGCOSHPSA-N	0	3	317.437	2.719	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	ZINC000424135336	429097194	/nfs/dbraw/zinc/09/71/94/429097194.db2.gz	JHCMOUIYVTWUKG-HZPDHXFCSA-N	0	3	303.381	2.804	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1	ZINC000452171993	429078374	/nfs/dbraw/zinc/07/83/74/429078374.db2.gz	TXEYRNGQGNOELW-OAHLLOKOSA-N	0	3	314.429	2.808	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F	ZINC000412680810	429080783	/nfs/dbraw/zinc/08/07/83/429080783.db2.gz	QNVNUHYLVPGZCL-BXUZGUMPSA-N	0	3	323.318	2.945	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)C12CC3CC(CC(C3)C1)C2	ZINC000424071726	429087781	/nfs/dbraw/zinc/08/77/81/429087781.db2.gz	BZPFDESOGDDPBZ-ZHGJIWRESA-N	0	3	303.450	2.729	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000424502663	429146600	/nfs/dbraw/zinc/14/66/00/429146600.db2.gz	RMCXXSJKCQLYPF-NXHRZFHOSA-N	0	3	316.445	2.604	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000424501556	429146910	/nfs/dbraw/zinc/14/69/10/429146910.db2.gz	NNPXONCNADZCJF-KURKYZTESA-N	0	3	316.445	2.695	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)Cc1ccsc1	ZINC000424523860	429148882	/nfs/dbraw/zinc/14/88/82/429148882.db2.gz	YBFZSAFVZXCHAQ-CVEARBPZSA-N	0	3	322.474	2.620	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453453138	429149651	/nfs/dbraw/zinc/14/96/51/429149651.db2.gz	NLGGORIQBPAWOH-INIZCTEOSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCCN(C(C)C)CC1	ZINC000453427827	429150414	/nfs/dbraw/zinc/15/04/14/429150414.db2.gz	XGOQBJOIBZOMTL-OAHLLOKOSA-N	0	3	305.470	2.898	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@@H]3CCN(C4CCCC4)C3)CC2)cc1	ZINC000364002939	429154934	/nfs/dbraw/zinc/15/49/34/429154934.db2.gz	XDVAAGAHDNCEBZ-QGZVFWFLSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1	ZINC000424140640	429099505	/nfs/dbraw/zinc/09/95/05/429099505.db2.gz	BMIIMYIQCOZMOS-MRXNPFEDSA-N	0	3	324.384	2.511	20	30		DFEDHN
Cc1coc(-c2cc(NC(=O)[C@@H](N)CCCC#N)ccc2C)n1	ZINC000424148377	429100810	/nfs/dbraw/zinc/10/08/10/429100810.db2.gz	FHPLGHHOTRCUCP-HNNXBMFYSA-N	0	3	312.373	2.918	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(-c2cccnc2)cc1	ZINC000424158553	429102567	/nfs/dbraw/zinc/10/25/67/429102567.db2.gz	TVAAOKDUPPXOLH-KSSFIOAISA-N	0	3	322.412	2.947	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1	ZINC000424159761	429102766	/nfs/dbraw/zinc/10/27/66/429102766.db2.gz	AJGPDKJEZGZSTP-JKSUJKDBSA-N	0	3	300.406	2.546	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1	ZINC000424159754	429102945	/nfs/dbraw/zinc/10/29/45/429102945.db2.gz	AJGPDKJEZGZSTP-HOTGVXAUSA-N	0	3	300.406	2.546	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@H](N)CCCC#N	ZINC000424172928	429104800	/nfs/dbraw/zinc/10/48/00/429104800.db2.gz	ONIKZQZVVDNGKW-BFQNTYOBSA-N	0	3	303.381	2.681	20	30		DFEDHN
CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)CC2	ZINC000424174818	429105342	/nfs/dbraw/zinc/10/53/42/429105342.db2.gz	PNJTZNYGDOPHPP-QGZVFWFLSA-N	0	3	313.445	2.890	20	30		DFEDHN
COCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC	ZINC000424202919	429111047	/nfs/dbraw/zinc/11/10/47/429111047.db2.gz	TYMLVFPUKMEVKD-DZGCQCFKSA-N	0	3	304.390	2.502	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C	ZINC000435355038	429133722	/nfs/dbraw/zinc/13/37/22/429133722.db2.gz	SNOSGYWDSLDRRZ-PBHICJAKSA-N	0	3	311.429	2.531	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@H](c2cccc(Br)c2)C1	ZINC000452856385	429139595	/nfs/dbraw/zinc/13/95/95/429139595.db2.gz	YVUUMXQMDCCFDI-JQWIXIFHSA-N	0	3	307.191	2.925	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000454665224	429170162	/nfs/dbraw/zinc/17/01/62/429170162.db2.gz	JFHLAOKNHXGCBI-CVEARBPZSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000454712526	429171530	/nfs/dbraw/zinc/17/15/30/429171530.db2.gz	AVNFMWRKZFCDBT-JKSUJKDBSA-N	0	3	301.434	2.943	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](c3nnc4n3CCC4)C2)ccc1C#N	ZINC000487887247	429172354	/nfs/dbraw/zinc/17/23/54/429172354.db2.gz	NMFXSRIXEDJZQC-KRWDZBQOSA-N	0	3	321.428	2.784	20	30		DFEDHN
C=C(C)CNC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000454841494	429173358	/nfs/dbraw/zinc/17/33/58/429173358.db2.gz	SOUFDRMWKJOFMU-UHFFFAOYSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000454838521	429173969	/nfs/dbraw/zinc/17/39/69/429173969.db2.gz	ODWSUGVYHKBBPI-MRXNPFEDSA-N	0	3	301.434	2.726	20	30		DFEDHN
Cc1nc(NC[C@@H](c2ccco2)N2CCCCC2)ccc1C#N	ZINC000487935692	429174406	/nfs/dbraw/zinc/17/44/06/429174406.db2.gz	RWWNGBMVXMDGAP-INIZCTEOSA-N	0	3	310.401	3.494	20	30		DFEDHN
COCCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C	ZINC000487982240	429175570	/nfs/dbraw/zinc/17/55/70/429175570.db2.gz	QOWWEFCLRYQDIV-RHSMWYFYSA-N	0	3	315.417	2.634	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488733485	429192199	/nfs/dbraw/zinc/19/21/99/429192199.db2.gz	JSOMUCWMMFKHJW-DVOMOZLQSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCn1cccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000488929543	429207000	/nfs/dbraw/zinc/20/70/00/429207000.db2.gz	DELMAZQTZNFSEB-MRXNPFEDSA-N	0	3	311.429	2.924	20	30		DFEDHN
C=CCn1cccc1C(=O)N(CCN(C)C)Cc1ccc(C)o1	ZINC000489040327	429216386	/nfs/dbraw/zinc/21/63/86/429216386.db2.gz	MYCQWYJNNCRXGB-UHFFFAOYSA-N	0	3	315.417	2.780	20	30		DFEDHN
C=CCn1cccc1C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000489084825	429219439	/nfs/dbraw/zinc/21/94/39/429219439.db2.gz	YALAYHSABSJSJU-UHFFFAOYSA-N	0	3	313.401	2.867	20	30		DFEDHN
C=C(Br)CN[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1	ZINC000495538612	429220622	/nfs/dbraw/zinc/22/06/22/429220622.db2.gz	DCFOPICTJAXMJX-RYUDHWBXSA-N	0	3	319.243	2.742	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC(C)(C)N1CCC[C@@H](CC)C1	ZINC000489250752	429225200	/nfs/dbraw/zinc/22/52/00/429225200.db2.gz	ISNOYQQJOVPVIV-OAHLLOKOSA-N	0	3	316.511	2.773	20	30		DFEDHN
COc1cccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)n1	ZINC000364578969	429227094	/nfs/dbraw/zinc/22/70/94/429227094.db2.gz	LNBZKZGEWKNSNL-KRWDZBQOSA-N	0	3	322.412	2.720	20	30		DFEDHN
CCN1CCN(Cc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)CC1	ZINC000442870475	429239417	/nfs/dbraw/zinc/23/94/17/429239417.db2.gz	DAULZFRXKGCPGY-MJGOQNOKSA-N	0	3	312.461	2.928	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1	ZINC000442849449	429239586	/nfs/dbraw/zinc/23/95/86/429239586.db2.gz	OAXGWTSPKRSQNC-FGTMMUONSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=C(Cl)CN[C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C	ZINC000495690264	429247208	/nfs/dbraw/zinc/24/72/08/429247208.db2.gz	XCGKBAPUVVWBRD-YNEHKIRRSA-N	0	3	318.845	2.647	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H](C)C1	ZINC000425270008	429254192	/nfs/dbraw/zinc/25/41/92/429254192.db2.gz	RZSZCKXSWBDGGC-PMUMKWKESA-N	0	3	310.445	2.608	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443521041	429254504	/nfs/dbraw/zinc/25/45/04/429254504.db2.gz	UBESCBLUCLWEAH-ZWNOBZJWSA-N	0	3	312.339	2.748	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000425269361	429254638	/nfs/dbraw/zinc/25/46/38/429254638.db2.gz	QXAYMWGGHJCFJF-ZDUSSCGKSA-N	0	3	314.389	2.777	20	30		DFEDHN
CC(C)[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443514040	429254978	/nfs/dbraw/zinc/25/49/78/429254978.db2.gz	XDCJDEUXQYPCTA-CYBMUJFWSA-N	0	3	312.339	2.748	20	30		DFEDHN
C=CCCCS(=O)(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000489644378	429255086	/nfs/dbraw/zinc/25/50/86/429255086.db2.gz	PSIKTOQGOLZVHH-CABCVRRESA-N	0	3	314.495	2.525	20	30		DFEDHN
C=CCCCS(=O)(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1	ZINC000489644379	429255703	/nfs/dbraw/zinc/25/57/03/429255703.db2.gz	PSIKTOQGOLZVHH-GJZGRUSLSA-N	0	3	314.495	2.525	20	30		DFEDHN
Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(C#N)cn1	ZINC000425280426	429257456	/nfs/dbraw/zinc/25/74/56/429257456.db2.gz	XTBHBJHUWQPSCD-FXAWDEMLSA-N	0	3	318.424	2.972	20	30		DFEDHN
C=CC[C@@H]1N(CCn2nc3ccccn3c2=O)CCCC1(C)C	ZINC000444776658	429276177	/nfs/dbraw/zinc/27/61/77/429276177.db2.gz	PXQYRTJAARMMCU-HNNXBMFYSA-N	0	3	314.433	2.563	20	30		DFEDHN
Cc1ccn(C2CCN(CCOc3ccc(C#N)cc3)CC2)n1	ZINC000365204394	429277531	/nfs/dbraw/zinc/27/75/31/429277531.db2.gz	QCJNYUCDTRAZFW-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@H]2CCN(C3CC3)C2)CCCC1(C)C	ZINC000444964021	429279511	/nfs/dbraw/zinc/27/95/11/429279511.db2.gz	HMXJAEIXHQXBNV-HOCLYGCPSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000448900322	429320599	/nfs/dbraw/zinc/32/05/99/429320599.db2.gz	QGWAHAREPIWQNE-UAGQMJEPSA-N	0	3	316.445	2.823	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000448982440	429321699	/nfs/dbraw/zinc/32/16/99/429321699.db2.gz	KKNSNELVFDCGPX-HNAYVOBHSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(C)C	ZINC000425646159	429332311	/nfs/dbraw/zinc/33/23/11/429332311.db2.gz	BERDKRCEPIHUNE-YYIAUSFCSA-N	0	3	305.466	2.783	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(C)c(Cl)c1Cl	ZINC000491253347	429339570	/nfs/dbraw/zinc/33/95/70/429339570.db2.gz	NDBBMBYNCRKHGW-UHFFFAOYSA-N	0	3	313.228	2.987	20	30		DFEDHN
C=CCc1cc(CN2CC([C@H]3CCOC3)C2)cc(OC)c1O	ZINC000365565229	429342554	/nfs/dbraw/zinc/34/25/54/429342554.db2.gz	YTYDUBNAQQMMTD-HNNXBMFYSA-N	0	3	303.402	2.598	20	30		DFEDHN
Cc1ncccc1O[C@H]1CCN(CCOc2cccc(C#N)c2)C1	ZINC000365279833	429293075	/nfs/dbraw/zinc/29/30/75/429293075.db2.gz	ZKWDGJADBAGGQF-SFHVURJKSA-N	0	3	323.396	2.794	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc([C@H](C)OC)c2)CC1	ZINC000490603727	429295731	/nfs/dbraw/zinc/29/57/31/429295731.db2.gz	GAHACVQPBYNCHX-AWEZNQCLSA-N	0	3	300.402	2.678	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000446056992	429297382	/nfs/dbraw/zinc/29/73/82/429297382.db2.gz	YGWHGJOSEVECDR-RYUDHWBXSA-N	0	3	321.371	2.829	20	30		DFEDHN
C#CCN(CC#CC)C(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000490692094	429300625	/nfs/dbraw/zinc/30/06/25/429300625.db2.gz	YIEBVICOHWAMLA-UHFFFAOYSA-N	0	3	308.425	2.770	20	30		DFEDHN
CCN1CCC(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425491394	429308272	/nfs/dbraw/zinc/30/82/72/429308272.db2.gz	MBONDGHMAYJTJU-AWEZNQCLSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000448002538	429309778	/nfs/dbraw/zinc/30/97/78/429309778.db2.gz	XZVBAATVTCUPFI-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000425505065	429311484	/nfs/dbraw/zinc/31/14/84/429311484.db2.gz	MYMRYDGMCAKKOE-JJRVBVJISA-N	0	3	314.433	2.743	20	30		DFEDHN
Cc1cc(CN[C@H](C)CNC(=O)OC(C)(C)C)ccc1C#N	ZINC000496181724	429312015	/nfs/dbraw/zinc/31/20/15/429312015.db2.gz	PDLHNPOWXWDHAH-CYBMUJFWSA-N	0	3	303.406	2.870	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000425505068	429312269	/nfs/dbraw/zinc/31/22/69/429312269.db2.gz	MYMRYDGMCAKKOE-VBQJREDUSA-N	0	3	314.433	2.743	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000491707582	429393535	/nfs/dbraw/zinc/39/35/35/429393535.db2.gz	YKFJJOCYGLLFFF-FMKPAKJESA-N	0	3	319.474	2.842	20	30		DFEDHN
C#CCN(C)CCCNC(=S)Nc1ccc(F)c(Cl)c1	ZINC000491753449	429404125	/nfs/dbraw/zinc/40/41/25/429404125.db2.gz	ZEAFSSCYRFBJCO-UHFFFAOYSA-N	0	3	313.829	2.721	20	30		DFEDHN
C#CCNC(=O)[C@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000491754441	429404220	/nfs/dbraw/zinc/40/42/20/429404220.db2.gz	SUAPCQFBQOOKLQ-DOTOQJQBSA-N	0	3	316.470	2.522	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(SCC#N)c2)C1	ZINC000457108911	429405068	/nfs/dbraw/zinc/40/50/68/429405068.db2.gz	GLKRQNUYXIVCTD-OAHLLOKOSA-N	0	3	317.458	2.857	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000491786484	429408858	/nfs/dbraw/zinc/40/88/58/429408858.db2.gz	OYCVJXXSZCEUSQ-LZWOXQAQSA-N	0	3	319.474	2.794	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1	ZINC000491787445	429408969	/nfs/dbraw/zinc/40/89/69/429408969.db2.gz	VRVWEGGOQULMID-BBRMVZONSA-N	0	3	319.836	2.655	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](CO)[C@@H]2C)ccc1OC	ZINC000425962959	429354571	/nfs/dbraw/zinc/35/45/71/429354571.db2.gz	JYGLTWLTDGGATK-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C#CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1	ZINC000491385346	429354754	/nfs/dbraw/zinc/35/47/54/429354754.db2.gz	RCTGCYTWMQBMNK-DOTOQJQBSA-N	0	3	311.429	2.629	20	30		DFEDHN
C=CC[C@H](CO)NCc1cnc(CCc2ccccc2)s1	ZINC000449240349	429366099	/nfs/dbraw/zinc/36/60/99/429366099.db2.gz	YOKCXYVPCAURAO-OAHLLOKOSA-N	0	3	302.443	2.955	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000491525784	429369350	/nfs/dbraw/zinc/36/93/50/429369350.db2.gz	VFBWPZBKSMYZLS-CABCVRRESA-N	0	3	319.474	2.671	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1nc(Br)cs1	ZINC000491515883	429369796	/nfs/dbraw/zinc/36/97/96/429369796.db2.gz	PURNPJHETVROGX-SNVBAGLBSA-N	0	3	316.268	2.511	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000491525787	429370813	/nfs/dbraw/zinc/37/08/13/429370813.db2.gz	VFBWPZBKSMYZLS-LSDHHAIUSA-N	0	3	319.474	2.671	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)n1)N(C)Cc1ccccc1	ZINC000514789269	429372027	/nfs/dbraw/zinc/37/20/27/429372027.db2.gz	HIQGSDZHZQKUBE-CQSZACIVSA-N	0	3	323.400	2.595	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)cc(C#N)c1	ZINC000515337437	429376852	/nfs/dbraw/zinc/37/68/52/429376852.db2.gz	QUNLHEYGISIITM-SJORKVTESA-N	0	3	312.417	2.957	20	30		DFEDHN
C#CCN(CC#CC)C(=O)c1cccc(CN2CCCCC2)c1	ZINC000491621260	429380118	/nfs/dbraw/zinc/38/01/18/429380118.db2.gz	FRVZYKGQEVAMMN-UHFFFAOYSA-N	0	3	308.425	2.771	20	30		DFEDHN
C#C[C@@H](NC[C@H](O)c1ccc(F)c(Br)c1)C(C)C	ZINC000491638760	429383663	/nfs/dbraw/zinc/38/36/63/429383663.db2.gz	WDSNQVXJENZBKY-KGLIPLIRSA-N	0	3	314.198	2.869	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000491668492	429388315	/nfs/dbraw/zinc/38/83/15/429388315.db2.gz	YQEWLOTTZBUJLZ-JZXOWHBKSA-N	0	3	313.445	2.703	20	30		DFEDHN
COc1cc(CNC(=O)c2ccccc2CN(C)C)ccc1C#N	ZINC000427234555	429440142	/nfs/dbraw/zinc/44/01/42/429440142.db2.gz	NHELYRUIELCQCV-UHFFFAOYSA-N	0	3	323.396	2.558	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Br)cn1	ZINC000457323608	429445125	/nfs/dbraw/zinc/44/51/25/429445125.db2.gz	HUSNNDJXZCHQAS-CABZTGNLSA-N	0	3	308.179	2.667	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCOC[C@@H](C2CCC2)C1	ZINC000366421846	429450837	/nfs/dbraw/zinc/45/08/37/429450837.db2.gz	QUUITSBOLZJMES-WBVHZDCISA-N	0	3	308.466	2.548	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000519194020	429451755	/nfs/dbraw/zinc/45/17/55/429451755.db2.gz	LVKWCVMNKNAETF-IRXDYDNUSA-N	0	3	312.417	2.889	20	30		DFEDHN
C=CCC1(CNCc2cn(C)nc2C(=O)OCC)CCCC1	ZINC000449601837	429459590	/nfs/dbraw/zinc/45/95/90/429459590.db2.gz	AWDRJRAFUUZEKS-UHFFFAOYSA-N	0	3	305.422	2.823	20	30		DFEDHN
N#Cc1ccc(CN2CCC(C(=O)Nc3cccnc3)CC2)cc1	ZINC000366149415	429426203	/nfs/dbraw/zinc/42/62/03/429426203.db2.gz	XYWBAKVMWUCHCD-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1	ZINC000449694767	429482466	/nfs/dbraw/zinc/48/24/66/429482466.db2.gz	CNFGDGHTFMCTJN-OAHLLOKOSA-N	0	3	305.809	2.942	20	30		DFEDHN
Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)ncc1C#N	ZINC000457565731	429487119	/nfs/dbraw/zinc/48/71/19/429487119.db2.gz	UEUIOUWHUOMOEO-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCCCO1)C(C)C	ZINC000457566993	429487471	/nfs/dbraw/zinc/48/74/71/429487471.db2.gz	YOLFMPGGJFLNED-WMZOPIPTSA-N	0	3	308.466	2.760	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCCC12CCCCCC2)C1CC1	ZINC000366742129	429505443	/nfs/dbraw/zinc/50/54/43/429505443.db2.gz	WAXSLPIBNLQVMV-QGZVFWFLSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CCCCC(=O)Nc1ccc(OC2CCN(C)CC2)nc1	ZINC000366756558	429508956	/nfs/dbraw/zinc/50/89/56/429508956.db2.gz	HQTUSYBNJVOTAZ-UHFFFAOYSA-N	0	3	303.406	2.849	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](CCCO)C2)cc(OC)c1O	ZINC000449794052	429512349	/nfs/dbraw/zinc/51/23/49/429512349.db2.gz	ZESRHYCYPWVCQX-AWEZNQCLSA-N	0	3	305.418	2.724	20	30		DFEDHN
COCc1nccc([C@H]2CCCN(CCC(C)(C)C#N)C2)n1	ZINC000367006504	429556896	/nfs/dbraw/zinc/55/68/96/429556896.db2.gz	DJCISTSVASJYQR-AWEZNQCLSA-N	0	3	302.422	2.742	20	30		DFEDHN
COc1cc(CNC[C@@H]2OCCc3ccccc32)ccc1C#N	ZINC000367102087	429578677	/nfs/dbraw/zinc/57/86/77/429578677.db2.gz	UXWYJCSZZPGNII-IBGZPJMESA-N	0	3	308.381	2.970	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000522138468	429580779	/nfs/dbraw/zinc/58/07/79/429580779.db2.gz	NEYJAOFJSQMJRN-JOYOIKCWSA-N	0	3	312.200	2.626	20	30		DFEDHN
CCN1CCC[C@@H]1CNc1nc2cc(Cl)ccn2c1C#N	ZINC000450217538	429582207	/nfs/dbraw/zinc/58/22/07/429582207.db2.gz	QSTBZXYYYYKURX-GFCCVEGCSA-N	0	3	303.797	2.756	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000522288899	429588062	/nfs/dbraw/zinc/58/80/62/429588062.db2.gz	BFQXHIKIHRUNOR-KRWDZBQOSA-N	0	3	313.445	2.663	20	30		DFEDHN
C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000450257305	429588267	/nfs/dbraw/zinc/58/82/67/429588267.db2.gz	KTJJYTAYGUNALD-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
CO[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C12CCC2	ZINC000458156196	429588636	/nfs/dbraw/zinc/58/86/36/429588636.db2.gz	CFWPIHGEVGGQII-GVDBMIGSSA-N	0	3	312.413	2.833	20	30		DFEDHN
C[C@@]1(CNC(=O)c2c[nH]c(C#N)c2)CCN(Cc2ccccc2)C1	ZINC000366897631	429534998	/nfs/dbraw/zinc/53/49/98/429534998.db2.gz	RSFHGAYLSPBUAG-IBGZPJMESA-N	0	3	322.412	2.528	20	30		DFEDHN
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCNC(=O)CC1	ZINC000450453652	429629191	/nfs/dbraw/zinc/62/91/91/429629191.db2.gz	PXQYJPDCIGNLKH-NXHRZFHOSA-N	0	3	311.429	2.674	20	30		DFEDHN
C=CCC1(NC(=O)NC[C@@H]2CCCN2CCOC)CCCCC1	ZINC000458380105	429630405	/nfs/dbraw/zinc/63/04/05/429630405.db2.gz	ZNLFKYPIFHFURI-INIZCTEOSA-N	0	3	323.481	2.675	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CCN(C)C1	ZINC000429881527	429638013	/nfs/dbraw/zinc/63/80/13/429638013.db2.gz	CLMZYFKLRWUKNI-ZDUSSCGKSA-N	0	3	313.426	2.763	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000458439458	429639020	/nfs/dbraw/zinc/63/90/20/429639020.db2.gz	ULEFTSHXRXXINE-ZBFHGGJFSA-N	0	3	319.474	2.796	20	30		DFEDHN
C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCN(C2CC2)C1	ZINC000450548749	429645596	/nfs/dbraw/zinc/64/55/96/429645596.db2.gz	TZIDFCVWXGRUEV-NSHDSACASA-N	0	3	324.350	2.893	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)CC(C)(C)C#N)cc1F	ZINC000458273188	429612116	/nfs/dbraw/zinc/61/21/16/429612116.db2.gz	AIHXFXLDHSNDBI-UHFFFAOYSA-N	0	3	307.369	2.644	20	30		DFEDHN
CC(C)CN(CCOc1ccc(C#N)cc1)Cc1cnn(C)c1	ZINC000459584956	429700801	/nfs/dbraw/zinc/70/08/01/429700801.db2.gz	BULVQXMYMAPOPI-UHFFFAOYSA-N	0	3	312.417	2.829	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000493185641	429706637	/nfs/dbraw/zinc/70/66/37/429706637.db2.gz	GJNYLQRFVFZVKX-ZGISINOLSA-N	0	3	323.440	2.760	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H]2CCN(C)[C@H]2c2cccs2)n1	ZINC000367732476	429708624	/nfs/dbraw/zinc/70/86/24/429708624.db2.gz	ZPJDRFUKPVXWNI-WMLDXEAASA-N	0	3	312.442	3.428	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@H]3CCC[C@@H](C)C3)CC2)c1C#N	ZINC000471825430	429713231	/nfs/dbraw/zinc/71/32/31/429713231.db2.gz	VXTZYFFPJNQXMY-ZBFHGGJFSA-N	0	3	315.465	2.549	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@H]1CCN(CC2(C#N)CCC2)C1	ZINC000450872489	429719177	/nfs/dbraw/zinc/71/91/77/429719177.db2.gz	IKONHKLPDNSYRK-OAHLLOKOSA-N	0	3	318.490	2.899	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000483250324	429732533	/nfs/dbraw/zinc/73/25/33/429732533.db2.gz	NRFLOCWGBJXHGN-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)(CCC#N)CN[C@H]1CCS(=O)(=O)c2c(F)cccc21	ZINC000367904319	429739830	/nfs/dbraw/zinc/73/98/30/429739830.db2.gz	QEIQJDWHAKMUCS-AWEZNQCLSA-N	0	3	324.421	2.964	20	30		DFEDHN
N#Cc1cccnc1OC1CCC(NCc2cscn2)CC1	ZINC000527324102	429743919	/nfs/dbraw/zinc/74/39/19/429743919.db2.gz	DXEVRFFPXTWJAV-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
O[C@@H]1C[C@@H]([C@H]2CCCOC2)N(CC#Cc2cccc(Cl)c2)C1	ZINC000451303744	429808168	/nfs/dbraw/zinc/80/81/68/429808168.db2.gz	NDQYYKBTIISNMM-JQHSSLGASA-N	0	3	319.832	2.553	20	30		DFEDHN
CCN1CCCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000486936661	429754650	/nfs/dbraw/zinc/75/46/50/429754650.db2.gz	KWCWWVYHZOFXJF-UHFFFAOYSA-N	0	3	316.355	2.917	20	30		DFEDHN
Cc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccn1	ZINC000527532529	429757782	/nfs/dbraw/zinc/75/77/82/429757782.db2.gz	FABDHZAOWPNYNS-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C[C@H]1C[C@@H](CO)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000367983630	429758303	/nfs/dbraw/zinc/75/83/03/429758303.db2.gz	PSJFRTVFJHYDEY-HOCLYGCPSA-N	0	3	324.428	2.552	20	30		DFEDHN
N#Cc1cccnc1N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000368133205	429795200	/nfs/dbraw/zinc/79/52/00/429795200.db2.gz	UAVGWHYYCNDKNN-MOPGFXCFSA-N	0	3	318.424	2.912	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000451360171	429817525	/nfs/dbraw/zinc/81/75/25/429817525.db2.gz	DZSRSUJLNUALAR-ZFSNVMTLSA-N	0	3	315.461	2.573	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC([C@@H]3CCOC3)CC2)cc1	ZINC000368331307	429831825	/nfs/dbraw/zinc/83/18/25/429831825.db2.gz	JDSLMKKXVLVBCF-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
COc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1C#N	ZINC000368353571	429836700	/nfs/dbraw/zinc/83/67/00/429836700.db2.gz	BDYJIOHEKQCYRU-QGZVFWFLSA-N	0	3	300.402	2.815	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1ccc(F)cc1	ZINC000368389523	429841708	/nfs/dbraw/zinc/84/17/08/429841708.db2.gz	ISFQPGFAWHSKTL-AWOKKLPBSA-N	0	3	315.392	2.769	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](OC)[C@@H](C)C1	ZINC000451542720	429847697	/nfs/dbraw/zinc/84/76/97/429847697.db2.gz	KHCFWDUMBAIWQR-CGTJXYLNSA-N	0	3	319.445	2.512	20	30		DFEDHN
CC#CCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000368443353	429848811	/nfs/dbraw/zinc/84/88/11/429848811.db2.gz	WHXOVEGZGGOTJC-GDBMZVCRSA-N	0	3	319.836	2.655	20	30		DFEDHN
N#CCC1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1	ZINC000528147706	429853575	/nfs/dbraw/zinc/85/35/75/429853575.db2.gz	FOJRYWNNKXGGKJ-KRWDZBQOSA-N	0	3	318.465	2.729	20	30		DFEDHN
C[C@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1COc2ccccc21	ZINC000368487374	429856506	/nfs/dbraw/zinc/85/65/06/429856506.db2.gz	JBNOCFZFMOWOQR-GUYCJALGSA-N	0	3	318.380	2.860	20	30		DFEDHN
Cn1cc(CN2CCCC[C@]2(C)CO)c(-c2ccc(C#N)cc2)n1	ZINC000368495840	429857986	/nfs/dbraw/zinc/85/79/86/429857986.db2.gz	KWLGCGAFFSRYFR-LJQANCHMSA-N	0	3	324.428	2.696	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](CCC)c1ccccc1	ZINC000451599998	429860350	/nfs/dbraw/zinc/86/03/50/429860350.db2.gz	QDQCKVXEQJTBBR-BBWFWOEESA-N	0	3	302.418	2.577	20	30		DFEDHN
Cc1cc(C#N)cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1	ZINC000368541617	429864360	/nfs/dbraw/zinc/86/43/60/429864360.db2.gz	AFAQUDDEDLGMIY-HKUYNNGSSA-N	0	3	321.428	2.786	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c(OC(F)F)c1	ZINC000494493587	429877008	/nfs/dbraw/zinc/87/70/08/429877008.db2.gz	NRDPQHPFGLWQCX-UKRRQHHQSA-N	0	3	308.328	2.817	20	30		DFEDHN
CC#CCCN1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000368623062	429879533	/nfs/dbraw/zinc/87/95/33/429879533.db2.gz	HPVYSALMNRXXCF-SFHVURJKSA-N	0	3	320.477	2.529	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccncc2)C1	ZINC000368628012	429880762	/nfs/dbraw/zinc/88/07/62/429880762.db2.gz	ZBKVJGKIIRHNPE-AEFFLSMTSA-N	0	3	313.445	2.535	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCOCC2	ZINC000368655802	429883310	/nfs/dbraw/zinc/88/33/10/429883310.db2.gz	PKNSZSQJUKILAC-IAGOWNOFSA-N	0	3	300.402	2.622	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CCCN(C2CC2)CC1	ZINC000368674828	429885645	/nfs/dbraw/zinc/88/56/45/429885645.db2.gz	DQIFHWZXABCZJI-UHFFFAOYSA-N	0	3	320.234	2.995	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)CC1	ZINC000528405301	429885702	/nfs/dbraw/zinc/88/57/02/429885702.db2.gz	NCCREBOGWIFWIG-HNNXBMFYSA-N	0	3	322.412	2.707	20	30		DFEDHN
N#Cc1ncccc1N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1	ZINC000368675603	429885882	/nfs/dbraw/zinc/88/58/82/429885882.db2.gz	LVPUKTGRIWWZGI-LPHOPBHVSA-N	0	3	304.397	2.664	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	ZINC000528496280	429893339	/nfs/dbraw/zinc/89/33/39/429893339.db2.gz	ZFRZNMUROVEFEY-DRMAHVMPSA-N	0	3	318.461	2.711	20	30		DFEDHN
Cn1cc(Cl)cc1C(=O)N1CCCN(CCCCC#N)CC1	ZINC000368876506	429900256	/nfs/dbraw/zinc/90/02/56/429900256.db2.gz	QLCMBWXUJWOOOQ-UHFFFAOYSA-N	0	3	322.840	2.520	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC(c3c[nH]cn3)CC2)cc1	ZINC000369341855	429926257	/nfs/dbraw/zinc/92/62/57/429926257.db2.gz	GDGZIPPKOUVTTK-UHFFFAOYSA-N	0	3	310.401	2.930	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000494374035	429869969	/nfs/dbraw/zinc/86/99/69/429869969.db2.gz	HMBIXFQEBQCNDA-VBQJREDUSA-N	0	3	312.417	2.752	20	30		DFEDHN
COc1cccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)c1	ZINC000528340494	429875868	/nfs/dbraw/zinc/87/58/68/429875868.db2.gz	TXZHSJHAOANLDM-DOTOQJQBSA-N	0	3	300.402	2.887	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H]3C3CC3)C2=O)cc1	ZINC000558270958	429966724	/nfs/dbraw/zinc/96/67/24/429966724.db2.gz	ARWPYTOCSMHTCR-KURKYZTESA-N	0	3	309.413	2.832	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1	ZINC000639758330	429972793	/nfs/dbraw/zinc/97/27/93/429972793.db2.gz	RNHVPLJZUABVBK-GOSISDBHSA-N	0	3	312.417	2.588	20	30		DFEDHN
C=CCCCCNC(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637057368	429975554	/nfs/dbraw/zinc/97/55/54/429975554.db2.gz	YGAKKVPKIWGFHE-UHFFFAOYSA-N	0	3	305.426	2.628	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN1CC[C@@H](N(C)C)C1	ZINC000639799188	429985777	/nfs/dbraw/zinc/98/57/77/429985777.db2.gz	BIFUDJQYMFXQSX-CQSZACIVSA-N	0	3	319.474	2.539	20	30		DFEDHN
CCc1oc2ccccc2c1CC(=O)C(C#N)C(=O)N1CCCC1	ZINC000528913270	429933751	/nfs/dbraw/zinc/93/37/51/429933751.db2.gz	HISXTGYEFCANFX-OAHLLOKOSA-N	0	3	324.380	2.869	20	30		DFEDHN
C[C@H]1C[C@H](c2ccccc2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000573207232	429934648	/nfs/dbraw/zinc/93/46/48/429934648.db2.gz	BSAINKVCERWSCN-YOEHRIQHSA-N	0	3	317.396	2.979	20	30		DFEDHN
CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528919560	429935016	/nfs/dbraw/zinc/93/50/16/429935016.db2.gz	PVGRSOOMQCETKV-DOMZBBRYSA-N	0	3	322.368	2.951	20	30		DFEDHN
Cc1cncn1CC(=O)C(C#N)c1ncc(C(C)(C)C)s1	ZINC000529007930	429948134	/nfs/dbraw/zinc/94/81/34/429948134.db2.gz	GWKXIKGALCJRBA-LLVKDONJSA-N	0	3	302.403	2.822	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)CC12CCCCC2	ZINC000573456004	429954048	/nfs/dbraw/zinc/95/40/48/429954048.db2.gz	UIVAGZGYVRGGMO-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000277307668	276774999	/nfs/dbraw/zinc/77/49/99/276774999.db2.gz	DWVWTUMBEHSLCW-MRXNPFEDSA-N	0	3	314.454	2.664	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000574403751	430038427	/nfs/dbraw/zinc/03/84/27/430038427.db2.gz	FSVXMFMXRLYBKO-LPHOPBHVSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000574403750	430038565	/nfs/dbraw/zinc/03/85/65/430038565.db2.gz	FSVXMFMXRLYBKO-APWZRJJASA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000634457151	430006604	/nfs/dbraw/zinc/00/66/04/430006604.db2.gz	SJFLMUFEGIBZPR-SFHVURJKSA-N	0	3	316.445	2.668	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(C#N)c2)C1	ZINC000375178156	276846854	/nfs/dbraw/zinc/84/68/54/276846854.db2.gz	BIMUEOGKGWFIPN-MRXNPFEDSA-N	0	3	323.371	2.830	20	30		DFEDHN
C[C@@H](CN(C)C)Nc1c(C#N)cnc2c(F)ccc(Cl)c21	ZINC000561435580	430091065	/nfs/dbraw/zinc/09/10/65/430091065.db2.gz	WVCFZTKAKSIENA-VIFPVBQESA-N	0	3	306.772	2.683	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)NC[C@@H]2CCN2C2CCCC2)c(F)c1	ZINC000530023719	430095970	/nfs/dbraw/zinc/09/59/70/430095970.db2.gz	RCIAELPRTVOPRA-ZDUSSCGKSA-N	0	3	319.355	2.583	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H]1CCN1C1CCCC1	ZINC000530026333	430096283	/nfs/dbraw/zinc/09/62/83/430096283.db2.gz	CEFQXNNBMDTWTB-MRXNPFEDSA-N	0	3	314.429	2.998	20	30		DFEDHN
COc1cc(CNc2ccc3c(c2)OCCNC3)ccc1C#N	ZINC000530248303	430108774	/nfs/dbraw/zinc/10/87/74/430108774.db2.gz	IMHTXZNEHGFLPK-UHFFFAOYSA-N	0	3	309.369	2.661	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000529714830	430056299	/nfs/dbraw/zinc/05/62/99/430056299.db2.gz	PWTUJUJQQRGCRH-SQNIBIBYSA-N	0	3	320.477	2.881	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000560746968	430065306	/nfs/dbraw/zinc/06/53/06/430065306.db2.gz	FKBKWYCTTXWPRU-OKZBNKHCSA-N	0	3	311.429	2.604	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC12CCOCC2	ZINC000562627833	430157075	/nfs/dbraw/zinc/15/70/75/430157075.db2.gz	VVCXEHORQDCQAB-IAGOWNOFSA-N	0	3	312.413	2.692	20	30		DFEDHN
CC(C)Oc1ccccc1[C@H](C)NCCC(=O)N(C)CCC#N	ZINC000538126117	430173750	/nfs/dbraw/zinc/17/37/50/430173750.db2.gz	URESVWDRDUYYPX-HNNXBMFYSA-N	0	3	317.433	2.887	20	30		DFEDHN
COC(=O)CCN(CCC1(C#N)CCCCC1)C[C@@H]1CCCO1	ZINC000577939158	430117328	/nfs/dbraw/zinc/11/73/28/430117328.db2.gz	OENFXMPENDBHJC-INIZCTEOSA-N	0	3	322.449	2.895	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1cc(C#N)ncn1	ZINC000562420047	430130071	/nfs/dbraw/zinc/13/00/71/430130071.db2.gz	PZIAIIRLBWVZMV-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
N#CC(C(=O)c1cnn2c1CCC2)c1ccc(C(F)(F)F)cn1	ZINC000580158380	430130664	/nfs/dbraw/zinc/13/06/64/430130664.db2.gz	WYWLWAZMEIRWHT-SNVBAGLBSA-N	0	3	320.274	2.733	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NC[C@H](C#N)CCC#N)CC1	ZINC000562450894	430133339	/nfs/dbraw/zinc/13/33/39/430133339.db2.gz	YXLDAASVHTWZED-HOTGVXAUSA-N	0	3	311.433	2.640	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1C1CCC1	ZINC000563197667	430180418	/nfs/dbraw/zinc/18/04/18/430180418.db2.gz	OCRJDYZEJPVNDJ-ZWKOTPCHSA-N	0	3	312.413	2.786	20	30		DFEDHN
COc1ccc(CN(C(=O)C(C)C#N)[C@@H](C)C2CC2)c(OC)c1	ZINC000563395016	430187656	/nfs/dbraw/zinc/18/76/56/430187656.db2.gz	OOUHQNSPFLUDQN-OLZOCXBDSA-N	0	3	316.401	2.991	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000581199824	430188641	/nfs/dbraw/zinc/18/86/41/430188641.db2.gz	KCJKONTZTKXLCS-OAHLLOKOSA-N	0	3	309.417	2.664	20	30		DFEDHN
C=CCCCC[C@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc2O1	ZINC000564964787	430201560	/nfs/dbraw/zinc/20/15/60/430201560.db2.gz	CNLXBMJDSPWQCZ-LSDHHAIUSA-N	0	3	323.458	2.946	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1ncon1	ZINC000565667677	430222685	/nfs/dbraw/zinc/22/26/85/430222685.db2.gz	VGCQHJLFBAOJQR-LSDHHAIUSA-N	0	3	310.357	2.506	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000544450494	430283330	/nfs/dbraw/zinc/28/33/30/430283330.db2.gz	BOFCARRXABTSKP-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cc1ccccc1C(C)(C)NCc1cnc2c(C#N)cnn2c1	ZINC000582420823	430298411	/nfs/dbraw/zinc/29/84/11/430298411.db2.gz	KGACHRORSAWMOF-UHFFFAOYSA-N	0	3	305.385	2.934	20	30		DFEDHN
C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000545317827	430314885	/nfs/dbraw/zinc/31/48/85/430314885.db2.gz	BOSJZWGCKORXHM-YWZLYKJASA-N	0	3	321.424	2.908	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ccnc(C#N)c1	ZINC000582973970	430352142	/nfs/dbraw/zinc/35/21/42/430352142.db2.gz	OLELQJHUOOQHHT-UHFFFAOYSA-N	0	3	309.373	2.623	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN1CCC=C(c3ccccc3)C1)C2	ZINC000583084304	430363407	/nfs/dbraw/zinc/36/34/07/430363407.db2.gz	LEBINVCEPCWARN-OAHLLOKOSA-N	0	3	319.412	2.586	20	30		DFEDHN
CC(C)(C)OC(=O)CCN(CC1(C#N)CCC1)C1CCOCC1	ZINC000568626789	430376346	/nfs/dbraw/zinc/37/63/46/430376346.db2.gz	YZGDAMGLQITJTO-UHFFFAOYSA-N	0	3	322.449	2.893	20	30		DFEDHN
CN(Cc1ccc(C#N)cn1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000568660159	430381818	/nfs/dbraw/zinc/38/18/18/430381818.db2.gz	UYKVRKXQZRSMEG-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1Oc1ccccc1	ZINC000568740375	430386120	/nfs/dbraw/zinc/38/61/20/430386120.db2.gz	QAXOHIRIEXUNOJ-YKJOPOJSSA-N	0	3	300.402	2.893	20	30		DFEDHN
C[C@H]1[C@H](c2ccccc2)CCN1Cc1cnc2c(C#N)cnn2c1	ZINC000568765541	430390001	/nfs/dbraw/zinc/39/00/01/430390001.db2.gz	KFANLQPXCRLYAP-KBXCAEBGSA-N	0	3	317.396	2.979	20	30		DFEDHN
N#Cc1nnc2ccccc2c1NC[C@H]1CCCCN1C1CC1	ZINC000583909417	430438790	/nfs/dbraw/zinc/43/87/90/430438790.db2.gz	VXZCJFYNHTVLOF-CQSZACIVSA-N	0	3	307.401	2.930	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000638830075	430448944	/nfs/dbraw/zinc/44/89/44/430448944.db2.gz	LNUYKZFACKNHGO-NSHDSACASA-N	0	3	317.355	2.512	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000638873647	430463781	/nfs/dbraw/zinc/46/37/81/430463781.db2.gz	CQJSZHKXGQPHEI-SUNYJGFJSA-N	0	3	308.466	2.628	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(-n2cnc3ccccc32)cc1	ZINC000641768507	430466444	/nfs/dbraw/zinc/46/64/44/430466444.db2.gz	AYWIAMJVLQPSJO-QGZVFWFLSA-N	0	3	319.408	2.889	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cc(-c2ccncc2)ccc1OC	ZINC000641767614	430467226	/nfs/dbraw/zinc/46/72/26/430467226.db2.gz	MSJJCCUMXZJAJV-GOSISDBHSA-N	0	3	310.397	2.621	20	30		DFEDHN
C=C(C)COCCNCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000638756862	430424679	/nfs/dbraw/zinc/42/46/79/430424679.db2.gz	DLDYYFJGUMQGII-UHFFFAOYSA-N	0	3	317.355	2.921	20	30		DFEDHN
CC(C)[C@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1	ZINC000583752891	430425612	/nfs/dbraw/zinc/42/56/12/430425612.db2.gz	GYPOUVAUXYYARD-LBPRGKRZSA-N	0	3	311.311	2.668	20	30		DFEDHN
CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)cn1	ZINC000569136537	430426719	/nfs/dbraw/zinc/42/67/19/430426719.db2.gz	OAMYYOZLIWBTMK-LJQANCHMSA-N	0	3	309.413	2.972	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2F)c(OC)c1	ZINC000569837175	430489730	/nfs/dbraw/zinc/48/97/30/430489730.db2.gz	ILRADTFMEXQMKR-OWCLPIDISA-N	0	3	323.408	2.644	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2ncccc2C#N)CC1	ZINC000548676973	430491500	/nfs/dbraw/zinc/49/15/00/430491500.db2.gz	WNIXFHGYGPEFAS-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNc2cc(C#N)cnn2)N(C)C)cc1	ZINC000596235893	430511247	/nfs/dbraw/zinc/51/12/47/430511247.db2.gz	OBQLSAJRPMPAJA-SFHVURJKSA-N	0	3	323.444	3.262	20	30		DFEDHN
Cc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1C#N	ZINC000599313563	430529159	/nfs/dbraw/zinc/52/91/59/430529159.db2.gz	DMAZLKRRGICGMJ-GOSISDBHSA-N	0	3	300.402	2.637	20	30		DFEDHN
Cc1cc(C#N)ccc1OC[C@@H](O)CN1CCc2ccccc2C1	ZINC000549812275	430532363	/nfs/dbraw/zinc/53/23/63/430532363.db2.gz	OJGRDPBSNPOXPN-IBGZPJMESA-N	0	3	322.408	2.665	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1	ZINC000636455927	430548588	/nfs/dbraw/zinc/54/85/88/430548588.db2.gz	MHSHGLDOTDCVQZ-NVXWUHKLSA-N	0	3	301.434	2.897	20	30		DFEDHN
Cc1cccc2c1CC[C@H]2NCc1cnc2c(C#N)cnn2c1	ZINC000552413345	430597278	/nfs/dbraw/zinc/59/72/78/430597278.db2.gz	XYPUWQITZGDDHB-QGZVFWFLSA-N	0	3	303.369	2.687	20	30		DFEDHN
CC1CCN(CCNc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000619694593	430597653	/nfs/dbraw/zinc/59/76/53/430597653.db2.gz	NNWATFDSYSYBIC-UHFFFAOYSA-N	0	3	312.339	3.116	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3cccc(CC#N)c3)C2)C1	ZINC000571855606	430657304	/nfs/dbraw/zinc/65/73/04/430657304.db2.gz	KZPAQXDJEVNWDU-SFHVURJKSA-N	0	3	312.417	2.702	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C2CC2)o1)C(C)C	ZINC000639517368	430660927	/nfs/dbraw/zinc/66/09/27/430660927.db2.gz	IIQCUCKBFWZSPK-OAHLLOKOSA-N	0	3	317.433	2.980	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000639461721	430645764	/nfs/dbraw/zinc/64/57/64/430645764.db2.gz	VAKGFACPSGOTDK-MOPGFXCFSA-N	0	3	303.446	2.629	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)c1ncc(C#N)cc1C	ZINC000555657137	430672022	/nfs/dbraw/zinc/67/20/22/430672022.db2.gz	DJASYHPOOAQCPM-INIZCTEOSA-N	0	3	314.433	2.646	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)c1ncc(C#N)cc1C	ZINC000555657138	430672034	/nfs/dbraw/zinc/67/20/34/430672034.db2.gz	DJASYHPOOAQCPM-MRXNPFEDSA-N	0	3	314.433	2.646	20	30		DFEDHN
COc1ccccc1OC[C@H](C)CNC[C@@H](C#N)CCC#N	ZINC000572386291	430685599	/nfs/dbraw/zinc/68/55/99/430685599.db2.gz	CGRXSVGRCHQQEE-HUUCEWRRSA-N	0	3	301.390	2.743	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(F)cc3ccncc32)CC1	ZINC000651273770	430754441	/nfs/dbraw/zinc/75/44/41/430754441.db2.gz	YEXMYEZPHGAZMV-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000664902832	430775646	/nfs/dbraw/zinc/77/56/46/430775646.db2.gz	YPIHLGGTYKKPIZ-QGZVFWFLSA-N	0	3	319.449	2.952	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CSC1(C)C	ZINC000644641878	430778579	/nfs/dbraw/zinc/77/85/79/430778579.db2.gz	RRYUXWVNHZGPRV-GDBMZVCRSA-N	0	3	307.459	2.638	20	30		DFEDHN
C=CCOCC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000648566356	430824843	/nfs/dbraw/zinc/82/48/43/430824843.db2.gz	ZUDUSBSPBZZBNN-GOSISDBHSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCOCC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000648566357	430825722	/nfs/dbraw/zinc/82/57/22/430825722.db2.gz	ZUDUSBSPBZZBNN-SFHVURJKSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCN(CC(=O)NCCOc1cccc(F)c1)C(C)(C)C	ZINC000661756159	430831505	/nfs/dbraw/zinc/83/15/05/430831505.db2.gz	DUHQGZPVQIAHQE-UHFFFAOYSA-N	0	3	308.397	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(SC)n2)CC1	ZINC000648773748	430886884	/nfs/dbraw/zinc/88/68/84/430886884.db2.gz	ZLYHARCEPXOWAQ-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCc1cccs1	ZINC000662079064	430950161	/nfs/dbraw/zinc/95/01/61/430950161.db2.gz	FPDDGJLUCZYWOI-KFWWJZLASA-N	0	3	304.459	2.978	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2CCC(F)CC2)CC1	ZINC000645212750	430937698	/nfs/dbraw/zinc/93/76/98/430937698.db2.gz	RSMLMJGPVYMHLY-UHFFFAOYSA-N	0	3	311.445	2.854	20	30		DFEDHN
C=CCN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@@H](C)COC	ZINC000659022047	430941278	/nfs/dbraw/zinc/94/12/78/430941278.db2.gz	LGGHRPFNYBSGRI-LBPRGKRZSA-N	0	3	321.396	2.526	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnc2c(c1)CNCC2	ZINC000659019927	430941740	/nfs/dbraw/zinc/94/17/40/430941740.db2.gz	ITGWFGRIAHBEOX-DYVFJYSZSA-N	0	3	314.433	2.984	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOc1cccc(C)c1	ZINC000662080320	430952577	/nfs/dbraw/zinc/95/25/77/430952577.db2.gz	KPCIPQAQOGDSOW-CALCHBBNSA-N	0	3	314.429	2.673	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000662087958	430954408	/nfs/dbraw/zinc/95/44/08/430954408.db2.gz	RFKRJJKXVCQOSS-MCIONIFRSA-N	0	3	316.367	2.970	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CCC)[C@@H]2CCN(C)C2)cc1	ZINC000648994704	430962100	/nfs/dbraw/zinc/96/21/00/430962100.db2.gz	BCOJKRBHTPUTGN-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CCCC1(CNC(=O)[C@H]2CNCCC2(F)F)CCCC1	ZINC000659334590	431029410	/nfs/dbraw/zinc/02/94/10/431029410.db2.gz	NUQCAUACLMDKRO-CYBMUJFWSA-N	0	3	300.393	2.874	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000662322388	431046486	/nfs/dbraw/zinc/04/64/86/431046486.db2.gz	QEDWJHUBAYCMHE-KRWDZBQOSA-N	0	3	308.853	2.785	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)[C@H](CN)c1ccccc1	ZINC000649266444	431048589	/nfs/dbraw/zinc/04/85/89/431048589.db2.gz	NHTVNCPUBLWOEH-LJQANCHMSA-N	0	3	308.425	2.986	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)C1(N)Cc2ccccc2C1	ZINC000649266355	431049058	/nfs/dbraw/zinc/04/90/58/431049058.db2.gz	FWUTWAIYPXGDMV-UHFFFAOYSA-N	0	3	320.436	2.740	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000649329696	431066548	/nfs/dbraw/zinc/06/65/48/431066548.db2.gz	AGKRSWYNBUAQHV-CMPLNLGQSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N(C)CCN1CCCCC1	ZINC000652562995	431086533	/nfs/dbraw/zinc/08/65/33/431086533.db2.gz	XRANJLMLFJFVKE-UHFFFAOYSA-N	0	3	315.421	2.646	20	30		DFEDHN
C=C(C)CN(CC)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000659828263	431130683	/nfs/dbraw/zinc/13/06/83/431130683.db2.gz	BFEKFZXOAWLHJA-KRWDZBQOSA-N	0	3	302.418	2.694	20	30		DFEDHN
C=C(C)CN(CC)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000659828266	431131208	/nfs/dbraw/zinc/13/12/08/431131208.db2.gz	BFEKFZXOAWLHJA-QGZVFWFLSA-N	0	3	302.418	2.694	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCN(C)C)n1	ZINC000666185625	431142913	/nfs/dbraw/zinc/14/29/13/431142913.db2.gz	QGGZIKMETIBGNN-CABCVRRESA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(CCN(C)C)c1	ZINC000666239356	431162410	/nfs/dbraw/zinc/16/24/10/431162410.db2.gz	YIHUTCFSNBJUKA-GOEBONIOSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000656155568	431289347	/nfs/dbraw/zinc/28/93/47/431289347.db2.gz	JWVBOTBZMBHRGX-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649752080	431273111	/nfs/dbraw/zinc/27/31/11/431273111.db2.gz	YNMWLJLVUOQJSL-OALUTQOASA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H]2c2ccccc2)CC1	ZINC000660704764	431558636	/nfs/dbraw/zinc/55/86/36/431558636.db2.gz	PBEHHTVZSNLULS-QZTJIDSGSA-N	0	3	313.445	2.882	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c1C#N	ZINC000273405537	280233961	/nfs/dbraw/zinc/23/39/61/280233961.db2.gz	WVILZRJGIPYQKS-DOMZBBRYSA-N	0	3	304.825	2.836	20	30		DFEDHN
C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000660798269	431602702	/nfs/dbraw/zinc/60/27/02/431602702.db2.gz	AXKSYHLHQIUVNG-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H]2CCCCN2CCCC)nn1	ZINC000657348096	431691680	/nfs/dbraw/zinc/69/16/80/431691680.db2.gz	KJFMTRUFIMFYQQ-KRWDZBQOSA-N	0	3	305.470	2.598	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1nc(C2CC2)no1	ZINC000661114430	431736812	/nfs/dbraw/zinc/73/68/12/431736812.db2.gz	HDZCXPYJZXNJDF-DGCLKSJQSA-N	0	3	304.394	2.610	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)OC[C@@H]2CC)CC1	ZINC000650851713	431722169	/nfs/dbraw/zinc/72/21/69/431722169.db2.gz	BHGYBMMVJIBKMQ-DLBZAZTESA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccc(F)c1C)[C@@H](C)COC	ZINC000661242091	431791699	/nfs/dbraw/zinc/79/16/99/431791699.db2.gz	KMNVMNYVAZUIHY-ZDUSSCGKSA-N	0	3	308.397	2.986	20	30		DFEDHN
C=CCOCCCNCc1cn2ccc(Br)cc2n1	ZINC000657658687	431833811	/nfs/dbraw/zinc/83/38/11/431833811.db2.gz	AJLBJMSXTMDRPP-UHFFFAOYSA-N	0	3	324.222	2.779	20	30		DFEDHN
C=CCOCCCNCc1c(Cl)cccc1N1CCOCC1	ZINC000657657742	431834169	/nfs/dbraw/zinc/83/41/69/431834169.db2.gz	APKXMUVJIPYIJU-UHFFFAOYSA-N	0	3	324.852	2.859	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1	ZINC000661379384	431837421	/nfs/dbraw/zinc/83/74/21/431837421.db2.gz	XSUVPTCSZGSQBX-DOTOQJQBSA-N	0	3	314.429	2.915	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccnc(C#N)c1)N(C)C	ZINC000357869290	281389088	/nfs/dbraw/zinc/38/90/88/281389088.db2.gz	MCMWXZBLXIJEEU-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](NCc2cc(C#N)cs2)C1	ZINC000154425971	295300114	/nfs/dbraw/zinc/30/01/14/295300114.db2.gz	MJCNMLSMTPZBQN-CQSZACIVSA-N	0	3	313.426	2.997	20	30		DFEDHN
C[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000292192614	300296723	/nfs/dbraw/zinc/29/67/23/300296723.db2.gz	GHGOERKFFNYWOC-CYBMUJFWSA-N	0	3	314.389	2.777	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C#N)cn1)N(C)C	ZINC000527192368	300642326	/nfs/dbraw/zinc/64/23/26/300642326.db2.gz	ZDPFGWDTEAIMOG-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000538684013	301326922	/nfs/dbraw/zinc/32/69/22/301326922.db2.gz	WIOABRLOWPGTLU-RISCZKNCSA-N	0	3	303.793	2.520	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785566	301349184	/nfs/dbraw/zinc/34/91/84/301349184.db2.gz	NBZVOLIJFGHXQE-ABAIWWIYSA-N	0	3	305.809	2.624	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000540884471	301372432	/nfs/dbraw/zinc/37/24/32/301372432.db2.gz	OKFICQWTYFMYGD-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
CCc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)on1	ZINC000556868407	301817772	/nfs/dbraw/zinc/81/77/72/301817772.db2.gz	PCWMURZYABGTRP-UHFFFAOYSA-N	0	3	310.401	2.867	20	30		DFEDHN
N#Cc1ccc(CN2CCC3(CCO3)CC2)c(OC(F)F)c1	ZINC000558626839	301852745	/nfs/dbraw/zinc/85/27/45/301852745.db2.gz	ZITCFTAZOHCTBT-UHFFFAOYSA-N	0	3	308.328	2.915	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)Cc1ccc(F)cc1C#N	ZINC000563361535	302066725	/nfs/dbraw/zinc/06/67/25/302066725.db2.gz	KTCKFMUMDLTNGW-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2C[C@@H]2CNc3c(C#N)cnn3C2)o1	ZINC000564452369	302135639	/nfs/dbraw/zinc/13/56/39/302135639.db2.gz	BIKNYICLFNNUSR-DZGCQCFKSA-N	0	3	311.389	2.535	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1N1CCCC1	ZINC000565958672	302251017	/nfs/dbraw/zinc/25/10/17/302251017.db2.gz	CGISLUIQODPWMR-LSDHHAIUSA-N	0	3	307.488	2.631	20	30		DFEDHN
CCC[C@H](C)[C@H](CO)NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000566799911	302312979	/nfs/dbraw/zinc/31/29/79/302312979.db2.gz	MKEORJAOJQRBST-HZMBPMFUSA-N	0	3	323.462	2.562	20	30		DFEDHN
CC[C@H]1CN(c2cccc(C(F)F)c2C#N)CCN1C[C@@H](C)O	ZINC000567442777	302358885	/nfs/dbraw/zinc/35/88/85/302358885.db2.gz	GNQXXVSZMUDMGN-OLZOCXBDSA-N	0	3	323.387	2.777	20	30		DFEDHN
CN1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccccc1	ZINC000567828135	302391101	/nfs/dbraw/zinc/39/11/01/302391101.db2.gz	AEILJWZLTKRGLJ-RDJZCZTQSA-N	0	3	321.384	2.520	20	30		DFEDHN
C[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1Cl	ZINC000568047304	302413106	/nfs/dbraw/zinc/41/31/06/302413106.db2.gz	KGUYQAZOQFLFNA-YPMHNXCESA-N	0	3	317.820	2.873	20	30		DFEDHN
CC(C)C1CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000319281303	316251205	/nfs/dbraw/zinc/25/12/05/316251205.db2.gz	ILFZQFXPYFWSKX-KRWDZBQOSA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(C)(CCNCCS(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000328553727	316263228	/nfs/dbraw/zinc/26/32/28/316263228.db2.gz	WZBADGSWHNULAC-UHFFFAOYSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#Cc1cccc(C2(NC3CCN(c4cnccn4)CC3)CC2)c1	ZINC000556611617	317866972	/nfs/dbraw/zinc/86/69/72/317866972.db2.gz	RGNNKVJGGBPSCF-UHFFFAOYSA-N	0	3	319.412	2.596	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)c1ncc(C#N)cc1C	ZINC000560174450	317893485	/nfs/dbraw/zinc/89/34/85/317893485.db2.gz	FSNRMZSBYKSTNP-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCNC2	ZINC000565146947	317917999	/nfs/dbraw/zinc/91/79/99/317917999.db2.gz	GBNXDRSJLCCJFJ-CYBMUJFWSA-N	0	3	321.380	2.610	20	30		DFEDHN
CC[C@H]1CN(c2ccc(C#N)c(N)n2)CCN1Cc1ccccc1	ZINC000575430077	318077260	/nfs/dbraw/zinc/07/72/60/318077260.db2.gz	NOOJBJNMTCYIPH-KRWDZBQOSA-N	0	3	321.428	2.636	20	30		DFEDHN
CC1(C)CN(C[C@@H]2CNc3c(C#N)cnn3C2)Cc2ccccc21	ZINC000575989232	318096900	/nfs/dbraw/zinc/09/69/00/318096900.db2.gz	YBOHFTUWKFJNBN-AWEZNQCLSA-N	0	3	321.428	2.590	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577117074	318172205	/nfs/dbraw/zinc/17/22/05/318172205.db2.gz	JAAYMNZYDJNPJP-CZUORRHYSA-N	0	3	314.389	2.525	20	30		DFEDHN
COCC(C)(C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000578233103	318246923	/nfs/dbraw/zinc/24/69/23/318246923.db2.gz	DUJRXPFKYDOUCT-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ncc(C#N)cc1C	ZINC000578337089	318254452	/nfs/dbraw/zinc/25/44/52/318254452.db2.gz	YZHLPLBUQFOVJD-UHFFFAOYSA-N	0	3	323.400	2.931	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1	ZINC000579957409	318366056	/nfs/dbraw/zinc/36/60/56/318366056.db2.gz	AUXXWQHQPREQNY-IMJJTQAJSA-N	0	3	313.357	2.514	20	30		DFEDHN
CC1(C)CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000387475282	323324187	/nfs/dbraw/zinc/32/41/87/323324187.db2.gz	GEILZMKIBXXTFJ-HNNXBMFYSA-N	0	3	320.458	2.890	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC(CCC#N)CC1)N1CCCCC1	ZINC000570838426	332827275	/nfs/dbraw/zinc/82/72/75/332827275.db2.gz	VQBBLEUKAFRWQO-UHFFFAOYSA-N	0	3	320.481	2.976	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C\c2cccc(F)c2)CC1	ZINC000255085261	331700845	/nfs/dbraw/zinc/70/08/45/331700845.db2.gz	LTTIUIKTJNZUJC-XQRVVYSFSA-N	0	3	302.393	2.996	20	30		DFEDHN
C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCN(C)C	ZINC000078578369	331963835	/nfs/dbraw/zinc/96/38/35/331963835.db2.gz	YYFQOKTXNQFZAQ-CYBMUJFWSA-N	0	3	320.462	2.964	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC000559579140	332272919	/nfs/dbraw/zinc/27/29/19/332272919.db2.gz	MUODURPHGHYKPY-GBESFXJTSA-N	0	3	315.376	2.913	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000115552705	332333349	/nfs/dbraw/zinc/33/33/49/332333349.db2.gz	AFQFBOHGJHFUIP-AEFFLSMTSA-N	0	3	324.428	2.520	20	30		DFEDHN
CCOc1ccc(CN2CCN(CCCCC#N)CC2)cc1	ZINC000120074235	332382546	/nfs/dbraw/zinc/38/25/46/332382546.db2.gz	LHHHAUQZESZROZ-UHFFFAOYSA-N	0	3	301.434	2.897	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1	ZINC000293445431	335106454	/nfs/dbraw/zinc/10/64/54/335106454.db2.gz	KHTRDKYMHQRTMJ-CJNGLKHVSA-N	0	3	300.402	2.507	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1	ZINC000408384202	332504053	/nfs/dbraw/zinc/50/40/53/332504053.db2.gz	ZBEFDURYRWEKDR-PBHICJAKSA-N	0	3	318.465	2.775	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCCO[C@H]2CCOC2)c([O-])c1	ZINC000129349600	332514400	/nfs/dbraw/zinc/51/44/00/332514400.db2.gz	LMNBANAUGUFLIR-AMRJIULGSA-N	0	3	320.433	2.853	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(NC(=O)c2ccsc2)CC1	ZINC000131270922	332553623	/nfs/dbraw/zinc/55/36/23/332553623.db2.gz	SDYYYKXLZGNYBJ-UHFFFAOYSA-N	0	3	305.447	2.882	20	30		DFEDHN
CC(C)[C@](C)(CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000562784917	332625985	/nfs/dbraw/zinc/62/59/85/332625985.db2.gz	LYBHBTODDYTTJK-HNNXBMFYSA-N	0	3	315.335	2.933	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C1CC1	ZINC000293634300	335113723	/nfs/dbraw/zinc/11/37/23/335113723.db2.gz	XAJFYHFLYJDWAT-UHFFFAOYSA-N	0	3	324.346	2.809	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H]2CCCC[C@@H]2C1	ZINC000177517466	332989944	/nfs/dbraw/zinc/98/99/44/332989944.db2.gz	QWTDESWCDFDHID-BZUAXINKSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1c2ccccc2oc1[C@H](C)NC[C@@H](O)CN(C)CCC#N	ZINC000562989200	333019368	/nfs/dbraw/zinc/01/93/68/333019368.db2.gz	YSPSGTUKYZFDHL-LSDHHAIUSA-N	0	3	315.417	2.598	20	30		DFEDHN
CN(C[C@@H](O)CNc1ccccc1SCCC#N)C1CC1	ZINC000563004939	333036168	/nfs/dbraw/zinc/03/61/68/333036168.db2.gz	NOFYCXKAOBXPDF-AWEZNQCLSA-N	0	3	305.447	2.559	20	30		DFEDHN
N#CCCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000171742318	333053522	/nfs/dbraw/zinc/05/35/22/333053522.db2.gz	MXYPYRQLMNUSKP-KRWDZBQOSA-N	0	3	314.433	2.644	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c(Cl)cc(F)cc1Cl	ZINC000294044344	335119681	/nfs/dbraw/zinc/11/96/81/335119681.db2.gz	SVNOBUHNZYFKSW-UHFFFAOYSA-N	0	3	317.191	2.817	20	30		DFEDHN
CN(CCC#N)c1ccc(CNCCC(=O)OC(C)(C)C)cc1	ZINC000174431157	333086134	/nfs/dbraw/zinc/08/61/34/333086134.db2.gz	PSFDQPHZLQGERV-UHFFFAOYSA-N	0	3	317.433	2.858	20	30		DFEDHN
C=CCC(F)(F)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000294100228	335120254	/nfs/dbraw/zinc/12/02/54/335120254.db2.gz	RZXVULNFICELLS-ZDUSSCGKSA-N	0	3	300.324	2.756	20	30		DFEDHN
CC(C)(C#N)CCCN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000174849017	333091828	/nfs/dbraw/zinc/09/18/28/333091828.db2.gz	XISZFWHTVUSXQO-SFHVURJKSA-N	0	3	315.461	2.668	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NCCCCC#N)CN1Cc1ccccc1	ZINC000176590443	333115604	/nfs/dbraw/zinc/11/56/04/333115604.db2.gz	KODCLUIIQAUDIQ-WBVHZDCISA-N	0	3	314.433	2.642	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(F)cc1F)C(C)(C)C	ZINC000294652358	335125175	/nfs/dbraw/zinc/12/51/75/335125175.db2.gz	QSKMRGMNUCUPJR-MRXNPFEDSA-N	0	3	308.372	2.781	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1cccc(C)c1	ZINC000179587719	333152992	/nfs/dbraw/zinc/15/29/92/333152992.db2.gz	UXLRKTFGLHMJOB-OAHLLOKOSA-N	0	3	301.434	2.828	20	30		DFEDHN
CCc1ccc(C(C)(C)NCCC(=O)N(C)CCC#N)cc1	ZINC000180104188	333158630	/nfs/dbraw/zinc/15/86/30/333158630.db2.gz	YVIKRSJIVNAGAY-UHFFFAOYSA-N	0	3	301.434	2.836	20	30		DFEDHN
CC(C)CNC(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000180514592	333162699	/nfs/dbraw/zinc/16/26/99/333162699.db2.gz	PVDGYFRANAIWMD-SNVBAGLBSA-N	0	3	306.316	2.811	20	30		DFEDHN
NC(=NOCc1ccccn1)c1cccc(CN2CCCCC2)c1	ZINC000180624375	333163592	/nfs/dbraw/zinc/16/35/92/333163592.db2.gz	KACIJRWEEVTWID-UHFFFAOYSA-N	0	3	324.428	2.905	20	30		DFEDHN
C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(Cl)c1	ZINC000180875976	333165698	/nfs/dbraw/zinc/16/56/98/333165698.db2.gz	JAJVHGOGTVKGFI-YOJQOHNYSA-N	0	3	319.792	2.517	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@H](O)[C@H]2C)ccc1OC	ZINC000294727029	335128778	/nfs/dbraw/zinc/12/87/78/335128778.db2.gz	DAHMPVRJIKGMRZ-ZBFHGGJFSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(Cl)nn1)C(C)C	ZINC000294966168	335129467	/nfs/dbraw/zinc/12/94/67/335129467.db2.gz	XBLTWMQDTLNXBY-AWEZNQCLSA-N	0	3	322.840	2.558	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1nc2ccc(Cl)cc2n1C	ZINC000294991597	335129545	/nfs/dbraw/zinc/12/95/45/335129545.db2.gz	LJZFOQZTHYLKFM-CYBMUJFWSA-N	0	3	318.852	2.832	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C	ZINC000294991599	335129552	/nfs/dbraw/zinc/12/95/52/335129552.db2.gz	LJZFOQZTHYLKFM-ZDUSSCGKSA-N	0	3	318.852	2.832	20	30		DFEDHN
C#CCOc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1	ZINC000295180958	335130722	/nfs/dbraw/zinc/13/07/22/335130722.db2.gz	VRWHSHCPEGWMFP-SFHVURJKSA-N	0	3	313.372	2.531	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000192969630	333296610	/nfs/dbraw/zinc/29/66/10/333296610.db2.gz	NALLKWKTZHOOMV-RWMBFGLXSA-N	0	3	319.355	2.742	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000192969614	333296723	/nfs/dbraw/zinc/29/67/23/333296723.db2.gz	NALLKWKTZHOOMV-XQQFMLRXSA-N	0	3	319.355	2.742	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1	ZINC000194646105	333315084	/nfs/dbraw/zinc/31/50/84/333315084.db2.gz	LOUUTZNLNZRUOO-TUKIKUTGSA-N	0	3	305.809	2.928	20	30		DFEDHN
C=CC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1	ZINC000111259631	333328482	/nfs/dbraw/zinc/32/84/82/333328482.db2.gz	MFKRYSNELQXCTF-UHFFFAOYSA-N	0	3	303.793	2.746	20	30		DFEDHN
C=C(C)[C@H](N[C@H](C)COCC(=O)OC)c1ccc(F)c(F)c1	ZINC000295407841	335133954	/nfs/dbraw/zinc/13/39/54/335133954.db2.gz	MTSNLWSLEBTOBO-BZNIZROVSA-N	0	3	313.344	2.750	20	30		DFEDHN
C=CCN1CCC(Nc2nccc3c2C(=O)OC3(C)C)CC1	ZINC000364884488	333332788	/nfs/dbraw/zinc/33/27/88/333332788.db2.gz	CUAUKZRUKDKZGM-UHFFFAOYSA-N	0	3	301.390	2.549	20	30		DFEDHN
C#CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCCCC1	ZINC000365067804	333354580	/nfs/dbraw/zinc/35/45/80/333354580.db2.gz	DMVGNEBHEXKYKJ-IRXDYDNUSA-N	0	3	302.462	2.903	20	30		DFEDHN
C=CCCCN1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000365202800	333356578	/nfs/dbraw/zinc/35/65/78/333356578.db2.gz	LYGOHZNXHFRNNT-INIZCTEOSA-N	0	3	318.465	2.691	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(OC(C)C)c2)CC1	ZINC000295583468	335136305	/nfs/dbraw/zinc/13/63/05/335136305.db2.gz	CNEVZKFKOBERNO-UHFFFAOYSA-N	0	3	300.402	2.758	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCCC[C@@H]2OCCC(C)C)C1=O	ZINC000337254506	333444759	/nfs/dbraw/zinc/44/47/59/333444759.db2.gz	SKHWYRGVORCWRD-ULQDDVLXSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1OC(F)F	ZINC000337430814	333449066	/nfs/dbraw/zinc/44/90/66/333449066.db2.gz	UXLONEHJRFSPOK-MJBXVCDLSA-N	0	3	316.392	2.716	20	30		DFEDHN
CC1CCN(CCNC(=O)[C@@H](C#N)CCc2ccccc2)CC1	ZINC000339262926	333515922	/nfs/dbraw/zinc/51/59/22/333515922.db2.gz	GPWANWJSADNMGE-GOSISDBHSA-N	0	3	313.445	2.607	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2CCC[C@H]2F)c(-c2ccncc2)n1	ZINC000339587253	333528851	/nfs/dbraw/zinc/52/88/51/333528851.db2.gz	ONXFUDDEPBEVLR-CVEARBPZSA-N	0	3	313.380	2.839	20	30		DFEDHN
C#CCN(C)CCCNC(=O)NCc1ccc(C(C)(F)F)cc1	ZINC000297079642	335148996	/nfs/dbraw/zinc/14/89/96/335148996.db2.gz	MNRSCEIOVDRSST-UHFFFAOYSA-N	0	3	323.387	2.553	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1	ZINC000297008364	335150980	/nfs/dbraw/zinc/15/09/80/335150980.db2.gz	UMXGBPDYPKUKAV-MRXNPFEDSA-N	0	3	319.836	2.752	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](CO)c2cccc(Br)c2)C1	ZINC000442827315	335156403	/nfs/dbraw/zinc/15/64/03/335156403.db2.gz	KBCZTHMMMXNRQM-DDTOSNHZSA-N	0	3	309.207	2.764	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)Cc2occc2C)CC1	ZINC000413231401	333838846	/nfs/dbraw/zinc/83/88/46/333838846.db2.gz	FNIZHJJKMYXNEL-UHFFFAOYSA-N	0	3	305.422	2.770	20	30		DFEDHN
Cc1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(OCCN(C)C)c1	ZINC000265753593	333968326	/nfs/dbraw/zinc/96/83/26/333968326.db2.gz	YDHBJIZXTKEVBH-AWEZNQCLSA-N	0	3	318.421	2.559	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@H](N2CCCC2=O)C1	ZINC000270979207	334017138	/nfs/dbraw/zinc/01/71/38/334017138.db2.gz	WZTDZULJUMWMBX-INIZCTEOSA-N	0	3	311.429	2.684	20	30		DFEDHN
C=CCOc1cccc(CN(C)C(C)(C)CN2CCOCC2)c1	ZINC000414566144	334021341	/nfs/dbraw/zinc/02/13/41/334021341.db2.gz	HMXKMEUUAHSWJX-UHFFFAOYSA-N	0	3	318.461	2.794	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000271758992	334026566	/nfs/dbraw/zinc/02/65/66/334026566.db2.gz	VANYORSRHRLWQZ-GOSISDBHSA-N	0	3	324.428	2.939	20	30		DFEDHN
Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)o1	ZINC000271817171	334027144	/nfs/dbraw/zinc/02/71/44/334027144.db2.gz	BTXSFGAKIBRZDA-XJKSGUPXSA-N	0	3	300.358	2.875	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)c(C)c1	ZINC000271846242	334027707	/nfs/dbraw/zinc/02/77/07/334027707.db2.gz	ZDMDHQJYGCJZBW-CJNGLKHVSA-N	0	3	301.434	2.962	20	30		DFEDHN
Cc1ccccc1[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000272028390	334029621	/nfs/dbraw/zinc/02/96/21/334029621.db2.gz	MQCSTGWFSHAULU-OALUTQOASA-N	0	3	311.429	2.844	20	30		DFEDHN
CN(C(=O)NCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000273331895	334045377	/nfs/dbraw/zinc/04/53/77/334045377.db2.gz	YTNAZVWZZURLPJ-KRWDZBQOSA-N	0	3	314.433	2.596	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1O	ZINC000273428635	334046704	/nfs/dbraw/zinc/04/67/04/334046704.db2.gz	UCUOJPUXWDZHGW-SJORKVTESA-N	0	3	302.418	2.818	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273622473	334048920	/nfs/dbraw/zinc/04/89/20/334048920.db2.gz	VXXAFRAAAQLREJ-WBVHZDCISA-N	0	3	314.433	2.642	20	30		DFEDHN
CCCN(CCc1cccs1)CC(=O)N(CC)CCC#N	ZINC000274268976	334058711	/nfs/dbraw/zinc/05/87/11/334058711.db2.gz	AKTIUZMKRPRNDC-UHFFFAOYSA-N	0	3	307.463	2.765	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1CC	ZINC000343554565	335171857	/nfs/dbraw/zinc/17/18/57/335171857.db2.gz	QDERCEIYDORGMI-IBGZPJMESA-N	0	3	315.461	2.685	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cc2)CC1	ZINC000277576293	334089197	/nfs/dbraw/zinc/08/91/97/334089197.db2.gz	BCTDHYKHJXIUKS-SFHVURJKSA-N	0	3	323.440	2.988	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)C(=O)CC(C)(C)C#N)c1	ZINC000278718902	334100256	/nfs/dbraw/zinc/10/02/56/334100256.db2.gz	LYDWEYXMRKEUTM-UHFFFAOYSA-N	0	3	301.434	2.825	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)CC(C)(C)C#N)C1CC1	ZINC000278808078	334101790	/nfs/dbraw/zinc/10/17/90/334101790.db2.gz	OFMFBOGFJFTDPN-KRWDZBQOSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#CCCCOc1cccc(NC(=O)C23CCCN2CCC3)c1	ZINC000279212047	334106567	/nfs/dbraw/zinc/10/65/67/334106567.db2.gz	MLYNNIMIUNHHHG-UHFFFAOYSA-N	0	3	313.401	2.936	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)CC(C)(C)C#N)N(C)C)cc1	ZINC000279375279	334108298	/nfs/dbraw/zinc/10/82/98/334108298.db2.gz	XKJUMXMZWDZZKR-INIZCTEOSA-N	0	3	301.434	2.908	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038904	334113812	/nfs/dbraw/zinc/11/38/12/334113812.db2.gz	GOXLFZPHFFKEEG-RHSMWYFYSA-N	0	3	311.429	2.796	20	30		DFEDHN
C[C@@H](NCC1(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000366834700	335176691	/nfs/dbraw/zinc/17/66/91/335176691.db2.gz	VJYLIWNNHZVIIL-SJLPKXTDSA-N	0	3	313.445	2.559	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1c(OC)cc(OC)cc1OC	ZINC000280727708	334119501	/nfs/dbraw/zinc/11/95/01/334119501.db2.gz	VLQHBKDNYWAPDN-SCLBCKFNSA-N	0	3	321.417	2.783	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000285236306	334146438	/nfs/dbraw/zinc/14/64/38/334146438.db2.gz	VSYJVHBBEMHDDY-SFHVURJKSA-N	0	3	314.433	2.707	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](c2cccs2)C[C@@H]1C	ZINC000366641151	334148380	/nfs/dbraw/zinc/14/83/80/334148380.db2.gz	INHHHEGIRUDAOP-ILXRZTDVSA-N	0	3	319.474	2.934	20	30		DFEDHN
C[C@@H](NC(=O)N1CCC(C#N)CC1)[C@H](c1ccccc1)N(C)C	ZINC000287714170	334158534	/nfs/dbraw/zinc/15/85/34/334158534.db2.gz	ASGGEBFZWAMVJC-RHSMWYFYSA-N	0	3	314.433	2.623	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCCC#N	ZINC000291869847	334182642	/nfs/dbraw/zinc/18/26/42/334182642.db2.gz	IBPRWIRLRBGZKA-QGZVFWFLSA-N	0	3	301.434	2.953	20	30		DFEDHN
N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)C1	ZINC000292703096	334191014	/nfs/dbraw/zinc/19/10/14/334191014.db2.gz	DIGNAYOUZSRDRY-DZGCQCFKSA-N	0	3	313.401	2.735	20	30		DFEDHN
CCNC(=O)[C@@H](NCc1ccccc1C(C)(C)C#N)C(C)C	ZINC000293150645	334195799	/nfs/dbraw/zinc/19/57/99/334195799.db2.gz	DTALWLNEEGJJNE-INIZCTEOSA-N	0	3	301.434	2.738	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)C[C@H](O)Cc1ccccc1	ZINC000293220343	334196584	/nfs/dbraw/zinc/19/65/84/334196584.db2.gz	GSSKUVLYIYKLTP-GOSISDBHSA-N	0	3	310.397	2.624	20	30		DFEDHN
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(OCC#N)cc1	ZINC000293683822	334200655	/nfs/dbraw/zinc/20/06/55/334200655.db2.gz	KMEYKWRJJQJYQS-HUUCEWRRSA-N	0	3	317.433	2.792	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](O)CC2)cc1OCCCC#N	ZINC000294016797	334204637	/nfs/dbraw/zinc/20/46/37/334204637.db2.gz	NGYIVSGPJHEDBK-MRXNPFEDSA-N	0	3	318.417	2.725	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3ccc(CC#N)cc3)C2)C1	ZINC000296271441	334231245	/nfs/dbraw/zinc/23/12/45/334231245.db2.gz	IKRHSJBWVQXQOG-SFHVURJKSA-N	0	3	312.417	2.702	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000297912445	334244861	/nfs/dbraw/zinc/24/48/61/334244861.db2.gz	SYVAYSGHBUXDEY-BHYGNILZSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(C(=O)NCCc2cccs2)CC1	ZINC000298625300	334250196	/nfs/dbraw/zinc/25/01/96/334250196.db2.gz	NVBKLTXPHYMAIK-AWEZNQCLSA-N	0	3	319.474	2.811	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N1[C@H](C)CC[C@@H]1C	ZINC000298896061	334251929	/nfs/dbraw/zinc/25/19/29/334251929.db2.gz	NADJAIPJSFXGGV-XHSDSOJGSA-N	0	3	314.433	2.585	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000299152559	334253582	/nfs/dbraw/zinc/25/35/82/334253582.db2.gz	NAWBRVNZXIXKTO-UHFFFAOYSA-N	0	3	309.413	2.771	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000299237483	334254144	/nfs/dbraw/zinc/25/41/44/334254144.db2.gz	HVKIUINYUWKNPZ-OAHLLOKOSA-N	0	3	300.406	2.703	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1	ZINC000299235478	334254252	/nfs/dbraw/zinc/25/42/52/334254252.db2.gz	HOXUZNVLTAIYNZ-UALMWKMKSA-N	0	3	317.433	2.517	20	30		DFEDHN
COC(=O)[C@](C)(CN[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000443066990	338443055	/nfs/dbraw/zinc/44/30/55/338443055.db2.gz	KPTOQYDCQOTOJY-YLQAJVPDSA-N	0	3	304.365	2.538	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000121157725	334341147	/nfs/dbraw/zinc/34/11/47/334341147.db2.gz	NFYZQBCVDLCGFO-GOEBONIOSA-N	0	3	302.418	2.913	20	30		DFEDHN
C=CCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000122263876	334377629	/nfs/dbraw/zinc/37/76/29/334377629.db2.gz	NSJQLCJXLLZPDW-NSHDSACASA-N	0	3	324.222	2.681	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cccc(OC)c1OC(F)F	ZINC000341325390	334430301	/nfs/dbraw/zinc/43/03/01/334430301.db2.gz	URHCBIOOGADBFV-NSHDSACASA-N	0	3	301.333	2.571	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H](c1cccs1)C1CC1)C1CC1	ZINC000341844650	334487063	/nfs/dbraw/zinc/48/70/63/334487063.db2.gz	PDYCQIRLKWZKQR-HZPDHXFCSA-N	0	3	303.431	2.597	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000330515266	334786067	/nfs/dbraw/zinc/78/60/67/334786067.db2.gz	LUIOVYYRJODWRI-HZPDHXFCSA-N	0	3	323.481	2.734	20	30		DFEDHN
CCc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1CC	ZINC000330703523	334804464	/nfs/dbraw/zinc/80/44/64/334804464.db2.gz	LATWLJGEYSZBAB-UHFFFAOYSA-N	0	3	319.449	2.594	20	30		DFEDHN
Cc1cc(F)cc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1	ZINC000331214977	334846325	/nfs/dbraw/zinc/84/63/25/334846325.db2.gz	NKLPEISTFLSZOW-INIZCTEOSA-N	0	3	308.397	2.532	20	30		DFEDHN
CCN1CCC(NC(=O)NC[C@@H](c2cccnc2)C(C)C)CC1	ZINC000331243786	334850242	/nfs/dbraw/zinc/85/02/42/334850242.db2.gz	ZDALKMWYGHHESP-QGZVFWFLSA-N	0	3	318.465	2.809	20	30		DFEDHN
Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)c(Cl)c1	ZINC000331357435	334858178	/nfs/dbraw/zinc/85/81/78/334858178.db2.gz	TYIXTAVNRUGPGZ-CYBMUJFWSA-N	0	3	310.825	2.800	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)N(C)C)cc1	ZINC000425444646	334908881	/nfs/dbraw/zinc/90/88/81/334908881.db2.gz	MQPFLCMYQLBRNX-UAGQMJEPSA-N	0	3	314.433	2.589	20	30		DFEDHN
COC(=O)[C@@H](CCN1CCC(C)(C#N)CC1)c1ccccc1	ZINC000425459063	334912861	/nfs/dbraw/zinc/91/28/61/334912861.db2.gz	NXNYWKAVKUOCPD-INIZCTEOSA-N	0	3	300.402	2.959	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000343751782	335190375	/nfs/dbraw/zinc/19/03/75/335190375.db2.gz	RXUMSOUEROTGMH-IRXDYDNUSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN(C(=O)N[C@@H](C)CN(C)Cc1ccccc1)C1CC1	ZINC000343826871	335196047	/nfs/dbraw/zinc/19/60/47/335196047.db2.gz	BUSHDBGKEMBGKP-HNNXBMFYSA-N	0	3	301.434	2.867	20	30		DFEDHN
COC[C@@H]1C[C@H](OC)CN1Cc1cccc(OCCCC#N)c1	ZINC000343871159	335199021	/nfs/dbraw/zinc/19/90/21/335199021.db2.gz	KZLHVPDEMBZURU-WMZOPIPTSA-N	0	3	318.417	2.605	20	30		DFEDHN
C=CCCCCCN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000344081472	335216276	/nfs/dbraw/zinc/21/62/76/335216276.db2.gz	CRMGDGCRDLYAFF-HNNXBMFYSA-N	0	3	314.495	2.527	20	30		DFEDHN
C=C(C)COCCNCc1nc2c(s1)CN(C(C)C)CC2	ZINC000344332896	335241556	/nfs/dbraw/zinc/24/15/56/335241556.db2.gz	ZXOMOUQVSAFDSA-UHFFFAOYSA-N	0	3	309.479	2.592	20	30		DFEDHN
CC(C#N)C(=O)N(CCCOc1ccccc1)C1CCOCC1	ZINC000344832888	335279055	/nfs/dbraw/zinc/27/90/55/335279055.db2.gz	NWJQFUMTOJNJDS-OAHLLOKOSA-N	0	3	316.401	2.623	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(C(F)(F)F)c2)nc(C)n1	ZINC000344858276	335285461	/nfs/dbraw/zinc/28/54/61/335285461.db2.gz	ZFVBGFZAFAUJSS-LBPRGKRZSA-N	0	3	320.274	2.997	20	30		DFEDHN
C#CCCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1	ZINC000366887237	335295627	/nfs/dbraw/zinc/29/56/27/335295627.db2.gz	XIMUUZQFOKJABX-UHFFFAOYSA-N	0	3	310.441	2.913	20	30		DFEDHN
C=C1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1	ZINC000345255055	335312242	/nfs/dbraw/zinc/31/22/42/335312242.db2.gz	ATFADIBHGAWDIT-UHFFFAOYSA-N	0	3	313.445	2.621	20	30		DFEDHN
Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)C#N	ZINC000345593741	335339587	/nfs/dbraw/zinc/33/95/87/335339587.db2.gz	HOJCJUDNQRQTDF-VIFPVBQESA-N	0	3	316.361	2.585	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H](C)C1	ZINC000346181071	335378769	/nfs/dbraw/zinc/37/87/69/335378769.db2.gz	HMNVOGKUADHPFR-HRCADAONSA-N	0	3	303.450	2.649	20	30		DFEDHN
CC(C)(C)N1C[C@@H](C(=O)NCC(C)(C)C#N)[C@H](C(F)(F)F)C1	ZINC000346140574	335380516	/nfs/dbraw/zinc/38/05/16/335380516.db2.gz	AVEQXFTZFIDYOH-GHMZBOCLSA-N	0	3	319.371	2.561	20	30		DFEDHN
CCS[C@@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000346285599	335392549	/nfs/dbraw/zinc/39/25/49/335392549.db2.gz	UDNZKXCHRIGEIJ-ZIAGYGMSSA-N	0	3	309.479	2.545	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)C1	ZINC000346319808	335399498	/nfs/dbraw/zinc/39/94/98/335399498.db2.gz	KWLQDISNYISFGD-PKOBYXMFSA-N	0	3	311.429	2.628	20	30		DFEDHN
C=CCn1cccc1-c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000346937295	335455780	/nfs/dbraw/zinc/45/57/80/335455780.db2.gz	LJNQAENNNMCBOC-CHWSQXEVSA-N	0	3	311.389	2.580	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](CC(=O)OC)C1CCCCC1	ZINC000347971466	335543038	/nfs/dbraw/zinc/54/30/38/335543038.db2.gz	XEFGPVHKOCTSDA-INIZCTEOSA-N	0	3	324.465	2.513	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@](C)(CCC)C1=O)C(C)C	ZINC000348143364	335556987	/nfs/dbraw/zinc/55/69/87/335556987.db2.gz	KLYKXOVIQFHALJ-MAUKXSAKSA-N	0	3	321.465	2.796	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](C)CO[C@H]2CCOC2)cc1	ZINC000166433624	335683515	/nfs/dbraw/zinc/68/35/15/335683515.db2.gz	IHOWBPYSRYABCH-MPGHIAIKSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000349836354	335705034	/nfs/dbraw/zinc/70/50/34/335705034.db2.gz	RZPRMPSFABPMHH-RYUDHWBXSA-N	0	3	306.797	2.508	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CCCOC1)C(C)C	ZINC000350748732	335779350	/nfs/dbraw/zinc/77/93/50/335779350.db2.gz	OEERKNDCEHPWSQ-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2ccc(F)cc2)CC1	ZINC000106039000	335792671	/nfs/dbraw/zinc/79/26/71/335792671.db2.gz	WEXUZBKXMWXYSY-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](OCC)c2ccccc2)CC1	ZINC000106034261	335792688	/nfs/dbraw/zinc/79/26/88/335792688.db2.gz	VMAUCEVDMGKKIT-GOSISDBHSA-N	0	3	316.445	2.921	20	30		DFEDHN
Cc1cnc([C@@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)o1	ZINC000329268572	335957852	/nfs/dbraw/zinc/95/78/52/335957852.db2.gz	GPOVHJYLSRTEHN-CQSZACIVSA-N	0	3	320.437	2.908	20	30		DFEDHN
C[C@H](C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCCCCC1	ZINC000329352073	335967257	/nfs/dbraw/zinc/96/72/57/335967257.db2.gz	ULQHQCKNGOFQNP-CQSZACIVSA-N	0	3	321.465	2.608	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1	ZINC000329433861	335975896	/nfs/dbraw/zinc/97/58/96/335975896.db2.gz	IKNNRIXYPIHBJK-UHFFFAOYSA-N	0	3	302.422	2.771	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc2c1OCO2	ZINC000329465658	335979472	/nfs/dbraw/zinc/97/94/72/335979472.db2.gz	RNEKSOODHRDPDE-LBPRGKRZSA-N	0	3	305.378	2.616	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCc2c1cccc2F	ZINC000329605065	336004130	/nfs/dbraw/zinc/00/41/30/336004130.db2.gz	LYWYQDCDJPABHN-YGRLFVJLSA-N	0	3	314.364	2.597	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCc2c1cccc2F	ZINC000329605065	336004132	/nfs/dbraw/zinc/00/41/32/336004132.db2.gz	LYWYQDCDJPABHN-YGRLFVJLSA-N	0	3	314.364	2.597	20	30		DFEDHN
C=C(C)COc1cc(CNC2(CC(N)=O)CCC2)ccc1OC	ZINC000351503777	336038867	/nfs/dbraw/zinc/03/88/67/336038867.db2.gz	TUSAVAOVGNFONP-UHFFFAOYSA-N	0	3	318.417	2.538	20	30		DFEDHN
CCCOc1ccc(CNC(=O)C(C)C#N)c(OC(F)F)c1	ZINC000351548924	336042380	/nfs/dbraw/zinc/04/23/80/336042380.db2.gz	VWSLNCVBARGWCN-JTQLQIEISA-N	0	3	312.316	2.853	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)CCN1C	ZINC000329720322	336070276	/nfs/dbraw/zinc/07/02/76/336070276.db2.gz	MSBYNLVBLJTDLK-YPMHNXCESA-N	0	3	300.362	2.524	20	30		DFEDHN
CCc1nnc(C)cc1C(=O)NCCN1CCCC[C@@H]1CC	ZINC000329776365	336080556	/nfs/dbraw/zinc/08/05/56/336080556.db2.gz	JVYDBBPWBBMRSO-AWEZNQCLSA-N	0	3	304.438	2.917	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1(C)C	ZINC000329794262	336082557	/nfs/dbraw/zinc/08/25/57/336082557.db2.gz	GDVMHWJVJXHDQJ-DRPJVOAASA-N	0	3	323.481	2.565	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1cn2c(n1)CCCC2	ZINC000329821180	336086162	/nfs/dbraw/zinc/08/61/62/336086162.db2.gz	AMHAGIOKIXBEFH-OKILXGFUSA-N	0	3	304.438	2.591	20	30		DFEDHN
CC(C)N1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000329895479	336093010	/nfs/dbraw/zinc/09/30/10/336093010.db2.gz	BYIDMRXRZPVWQK-UHFFFAOYSA-N	0	3	321.421	2.746	20	30		DFEDHN
[O-]C(NC[C@H]1CCc2nccn2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1	ZINC000329894451	336093061	/nfs/dbraw/zinc/09/30/61/336093061.db2.gz	BIQUSIFTWJQBLE-VNQPRFMTSA-N	0	3	316.449	2.918	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1cc2nccnc2cc1F	ZINC000329967315	336101063	/nfs/dbraw/zinc/10/10/63/336101063.db2.gz	WBSQXBMIPZXMMV-LBPRGKRZSA-N	0	3	316.380	2.948	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000330096137	336113163	/nfs/dbraw/zinc/11/31/63/336113163.db2.gz	WVYLAIYJTXBVHP-LLLHUVSDSA-N	0	3	323.481	2.566	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000351901879	336115176	/nfs/dbraw/zinc/11/51/76/336115176.db2.gz	HVQXXQBXIBJQRM-IRXDYDNUSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000351901889	336115208	/nfs/dbraw/zinc/11/52/08/336115208.db2.gz	HVQXXQBXIBJQRM-SJORKVTESA-N	0	3	308.466	2.835	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CCCN(C(C)C)C1)C2	ZINC000330173003	336120607	/nfs/dbraw/zinc/12/06/07/336120607.db2.gz	HAONLTMONBTTEK-LSDHHAIUSA-N	0	3	304.438	2.583	20	30		DFEDHN
[O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1C[C@@H]1C1CCCCC1	ZINC000330177895	336121060	/nfs/dbraw/zinc/12/10/60/336121060.db2.gz	DHPMFEMKDYTOCV-RBSFLKMASA-N	0	3	302.422	2.670	20	30		DFEDHN
CC1(C)CCC(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1	ZINC000330189558	336122325	/nfs/dbraw/zinc/12/23/25/336122325.db2.gz	LWEVXEXGYJPWRD-AWEZNQCLSA-N	0	3	304.438	2.918	20	30		DFEDHN
CC(C)(CNC([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCC1	ZINC000330198812	336123550	/nfs/dbraw/zinc/12/35/50/336123550.db2.gz	UQFCVYOWVMYKRK-CQSZACIVSA-N	0	3	304.438	2.918	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CC1	ZINC000330206229	336124309	/nfs/dbraw/zinc/12/43/09/336124309.db2.gz	DBVWSUSPHVBEMG-UJDVCPFMSA-N	0	3	323.437	2.593	20	30		DFEDHN
CC1(C)CC[C@@H](C(=O)NCC2(N3CCCCC3)CCOCC2)O1	ZINC000330209300	336124636	/nfs/dbraw/zinc/12/46/36/336124636.db2.gz	BOVZJENVSVIYTP-HNNXBMFYSA-N	0	3	324.465	2.936	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000331695987	336144836	/nfs/dbraw/zinc/14/48/36/336144836.db2.gz	WMOQAUMMJPHAJV-BZSNNMDCSA-N	0	3	312.413	2.929	20	30		DFEDHN
O=C(CN1CC[C@H](O)C12CCCC2)NC(=O)NC1CCCCC1	ZINC000330339752	336168951	/nfs/dbraw/zinc/16/89/51/336168951.db2.gz	XBQYDPZTXBQOKN-AWEZNQCLSA-N	0	3	323.437	2.569	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3c(cc2O)CCCC3)CC1	ZINC000332610849	336176081	/nfs/dbraw/zinc/17/60/81/336176081.db2.gz	OYQKQOYVIIQWSV-UHFFFAOYSA-N	0	3	314.429	2.651	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN(C)C[C@H](C)C#N)CC1	ZINC000352097159	336194749	/nfs/dbraw/zinc/19/47/49/336194749.db2.gz	OAFJKCORSCQGKR-QGZVFWFLSA-N	0	3	314.477	2.810	20	30		DFEDHN
N#CC1CCC(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1	ZINC000333005637	336196091	/nfs/dbraw/zinc/19/60/91/336196091.db2.gz	ACPVCSWPGQOQQG-VMBOVVBDSA-N	0	3	318.465	2.632	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000352236719	336205592	/nfs/dbraw/zinc/20/55/92/336205592.db2.gz	FLBCVEZGVMMRPL-HOCLYGCPSA-N	0	3	321.490	2.896	20	30		DFEDHN
CC(C)(CCC#N)CN[C@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000352263605	336208408	/nfs/dbraw/zinc/20/84/08/336208408.db2.gz	PCMOEQZMFNSLCP-CQSZACIVSA-N	0	3	307.825	2.656	20	30		DFEDHN
C=C(C)CCN1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000352420832	336217586	/nfs/dbraw/zinc/21/75/86/336217586.db2.gz	HKARSPUQSMMPRQ-DLBZAZTESA-N	0	3	312.413	2.602	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)COc1ccc(F)cc1	ZINC000352701836	336231260	/nfs/dbraw/zinc/23/12/60/336231260.db2.gz	OUCMUIANXZCLCF-INIZCTEOSA-N	0	3	319.376	2.889	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]2CCc2ccccc2)CCC1	ZINC000526136030	336231464	/nfs/dbraw/zinc/23/14/64/336231464.db2.gz	NOQOQONFVTXBEV-KRWDZBQOSA-N	0	3	311.429	2.646	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)C2(C#N)CC(C)C2)N(C)C)cc1	ZINC000532324420	336239881	/nfs/dbraw/zinc/23/98/81/336239881.db2.gz	GBGFPKPSYUWISW-KGYZHSKHSA-N	0	3	313.445	2.908	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)C(C)C	ZINC000042393264	336240062	/nfs/dbraw/zinc/24/00/62/336240062.db2.gz	YAAZUKMGLSDVSV-KRWDZBQOSA-N	0	3	316.449	2.716	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(C)o1)C(C)C	ZINC000532803514	336271833	/nfs/dbraw/zinc/27/18/33/336271833.db2.gz	LIPSNKBOTXGTCL-KRWDZBQOSA-N	0	3	304.434	2.945	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NC[C@H]1NCCc2ccccc21	ZINC000417981362	336283796	/nfs/dbraw/zinc/28/37/96/336283796.db2.gz	LUJKNVBBIBFVAN-RHSMWYFYSA-N	0	3	301.434	2.917	20	30		DFEDHN
C=CCCC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000115157993	336401797	/nfs/dbraw/zinc/40/17/97/336401797.db2.gz	LTSVWYGLYAAJBF-SFHVURJKSA-N	0	3	316.445	2.514	20	30		DFEDHN
C=CCCCCNC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000353343306	336412735	/nfs/dbraw/zinc/41/27/35/336412735.db2.gz	JXYGVMYAJINYPE-UHFFFAOYSA-N	0	3	304.438	2.511	20	30		DFEDHN
C=C(C)COCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000354332609	336467136	/nfs/dbraw/zinc/46/71/36/336467136.db2.gz	AQMXZDDSFCDECH-NVXWUHKLSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)N(C)[C@@H](C)C2)cc1OC	ZINC000354436937	336470753	/nfs/dbraw/zinc/47/07/53/336470753.db2.gz	DJMXXDNYZYYTNB-GJZGRUSLSA-N	0	3	304.434	2.784	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)NCC1(CC#N)CC1)c1ccco1	ZINC000355855025	336524975	/nfs/dbraw/zinc/52/49/75/336524975.db2.gz	IDPXHTSPZQCMTC-KGLIPLIRSA-N	0	3	318.421	2.702	20	30		DFEDHN
C=CCN(CCOC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000357278836	336579164	/nfs/dbraw/zinc/57/91/64/336579164.db2.gz	FBHKSORLQCHNPF-DOTOQJQBSA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@]1(C)CCCOC1)C(C)C	ZINC000357569903	336590932	/nfs/dbraw/zinc/59/09/32/336590932.db2.gz	MDADLLSEDLGBDU-WMZOPIPTSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCC[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000358307311	336622975	/nfs/dbraw/zinc/62/29/75/336622975.db2.gz	WRIRZJCHBUWKDB-MRXNPFEDSA-N	0	3	311.422	2.934	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000358995250	336651898	/nfs/dbraw/zinc/65/18/98/336651898.db2.gz	WNMLMGOMDQCCDA-RDJZCZTQSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	ZINC000359104629	336658012	/nfs/dbraw/zinc/65/80/12/336658012.db2.gz	RTYXPCJHLNUNTD-GJZGRUSLSA-N	0	3	302.418	2.740	20	30		DFEDHN
N#CCSCC(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000359786022	336687551	/nfs/dbraw/zinc/68/75/51/336687551.db2.gz	HVVWTCLRMZVZBO-UHFFFAOYSA-N	0	3	309.479	2.500	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)[C@H]1OC	ZINC000361165602	336741958	/nfs/dbraw/zinc/74/19/58/336741958.db2.gz	KBJJUQRTISFRRW-KZNAEPCWSA-N	0	3	318.417	2.651	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)Nc2cccc3c2CNCC3)cc1	ZINC000367512952	336824175	/nfs/dbraw/zinc/82/41/75/336824175.db2.gz	HUODPWQBRSPAAN-RGVLZGJSSA-N	0	3	309.369	2.565	20	30		DFEDHN
C=C(C)COc1cc(CNCCC[S@@](C)=O)ccc1OC	ZINC000116919955	336849833	/nfs/dbraw/zinc/84/98/33/336849833.db2.gz	BFRCXXQKQZNMHB-NRFANRHFSA-N	0	3	311.447	2.508	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](c2ccccc2)C2CCOCC2)C1=O	ZINC000370242861	336880589	/nfs/dbraw/zinc/88/05/89/336880589.db2.gz	UDYHWOBCYMJMDM-ROUUACIJSA-N	0	3	314.429	2.531	20	30		DFEDHN
CCN1CCN(c2ccccc2CNCC2(C#N)CCC2)CC1	ZINC000418144968	336896821	/nfs/dbraw/zinc/89/68/21/336896821.db2.gz	WCLFEHDRRBISPY-UHFFFAOYSA-N	0	3	312.461	2.612	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000371713712	336911254	/nfs/dbraw/zinc/91/12/54/336911254.db2.gz	DUHLJFLNAPONSH-HUUCEWRRSA-N	0	3	307.825	2.656	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(OC)CC2)CC1	ZINC000373388939	336958977	/nfs/dbraw/zinc/95/89/77/336958977.db2.gz	BQGRSDAPORZLOV-SFHVURJKSA-N	0	3	323.481	2.628	20	30		DFEDHN
C[C@@H]1[C@H](N[C@H]2CCC[C@@H](C#N)C2)CC(=O)N1Cc1ccccc1	ZINC000374230353	336984333	/nfs/dbraw/zinc/98/43/33/336984333.db2.gz	MQJNDZYMLGUQCP-NRSFXHEJSA-N	0	3	311.429	2.848	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000375740403	337018483	/nfs/dbraw/zinc/01/84/83/337018483.db2.gz	BPJMIQNVCHWYBH-JKSUJKDBSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1	ZINC000305722938	337034236	/nfs/dbraw/zinc/03/42/36/337034236.db2.gz	KNQDQQVPCXTIRR-HZPDHXFCSA-N	0	3	312.417	2.936	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000376520161	337035795	/nfs/dbraw/zinc/03/57/95/337035795.db2.gz	WPAYWKQEGKUCPR-YOEHRIQHSA-N	0	3	322.474	2.840	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)NCC(C)(C)CCC#N	ZINC000377049211	337046060	/nfs/dbraw/zinc/04/60/60/337046060.db2.gz	WYVDWTCQGDUDLS-HOTGVXAUSA-N	0	3	320.481	2.975	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1CCCC1(C#N)CCOCC1	ZINC000377115926	337047006	/nfs/dbraw/zinc/04/70/06/337047006.db2.gz	UMHAEEQBDOMNMH-IRXDYDNUSA-N	0	3	305.466	2.646	20	30		DFEDHN
C#CCCCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000377225672	337048963	/nfs/dbraw/zinc/04/89/63/337048963.db2.gz	XSBAOIHZVZFNRS-HKUYNNGSSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@@H](c2cn(C)c3ccccc23)C1	ZINC000377940854	337064224	/nfs/dbraw/zinc/06/42/24/337064224.db2.gz	MDRZEHRNLVPNLR-LSDHHAIUSA-N	0	3	311.429	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@]2(CCC)COC)CC1	ZINC000193759164	337079391	/nfs/dbraw/zinc/07/93/91/337079391.db2.gz	DPERQFDAISNPHJ-GOSISDBHSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccc(C)cc2C)CC1	ZINC000171725785	337088963	/nfs/dbraw/zinc/08/89/63/337088963.db2.gz	YXXDUMKEUVSQCL-UHFFFAOYSA-N	0	3	315.461	2.796	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)c(F)c(F)c2)CC1	ZINC000172643119	337129142	/nfs/dbraw/zinc/12/91/42/337129142.db2.gz	RLFYPLOAMJWWJU-UHFFFAOYSA-N	0	3	313.323	2.876	20	30		DFEDHN
C#CCCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000173326779	337134608	/nfs/dbraw/zinc/13/46/08/337134608.db2.gz	QICHSFSLJDPAKN-UHFFFAOYSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nc(CC)c(C)s2)CC1	ZINC000174340579	337140850	/nfs/dbraw/zinc/14/08/50/337140850.db2.gz	MWMIQTPCHIFKQX-UHFFFAOYSA-N	0	3	308.451	2.786	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CN1C1CC1	ZINC000177102812	337154247	/nfs/dbraw/zinc/15/42/47/337154247.db2.gz	BTBMTRSBFKXJHE-OCCSQVGLSA-N	0	3	315.442	2.657	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(F)cc2Cl)CC1	ZINC000177875020	337157540	/nfs/dbraw/zinc/15/75/40/337157540.db2.gz	YZDYYKAYXGRPHV-UHFFFAOYSA-N	0	3	310.800	2.788	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1	ZINC000180629732	337176805	/nfs/dbraw/zinc/17/68/05/337176805.db2.gz	XCOYNXNGWNZWCL-GDBMZVCRSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](CC1CCC1)c1ccccc1	ZINC000181346485	337181559	/nfs/dbraw/zinc/18/15/59/337181559.db2.gz	IEQGWENWOPIPDF-INIZCTEOSA-N	0	3	315.417	2.519	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](Cc2nccn2C)C1	ZINC000182093453	337184374	/nfs/dbraw/zinc/18/43/74/337184374.db2.gz	FQFNUAVKUOHZCS-QGZVFWFLSA-N	0	3	323.440	2.887	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](Cc3nccn3C)C2)cc1	ZINC000182091612	337184389	/nfs/dbraw/zinc/18/43/89/337184389.db2.gz	YKIJYVNRJJOIIU-GOSISDBHSA-N	0	3	323.440	2.887	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(OC)c(OC)cc1SC	ZINC000321060993	337191080	/nfs/dbraw/zinc/19/10/80/337191080.db2.gz	YIASWDKOLQWSQJ-ZDUSSCGKSA-N	0	3	311.447	2.842	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCC[C@H]2CCCCO2)CC1	ZINC000186439898	337256123	/nfs/dbraw/zinc/25/61/23/337256123.db2.gz	HMSHDHPYGDSMML-QGZVFWFLSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CC[C@H](C(=O)NC[C@H]1CCCN1CCOC)c1ccccc1	ZINC000189154618	337277588	/nfs/dbraw/zinc/27/75/88/337277588.db2.gz	CMOFGIFXWXKHJK-MSOLQXFVSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1cccnc1	ZINC000191039024	337293235	/nfs/dbraw/zinc/29/32/35/337293235.db2.gz	VYRABCYZYQZEND-CYBMUJFWSA-N	0	3	315.446	2.570	20	30		DFEDHN
CC(C)CCN(CCC#N)CCCN1CCN(C(C)C)CC1	ZINC000191526955	337298882	/nfs/dbraw/zinc/29/88/82/337298882.db2.gz	FKQLPTQJLUAZRY-UHFFFAOYSA-N	0	3	308.514	2.664	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCC(=O)Nc1cccnc1	ZINC000584406224	337320292	/nfs/dbraw/zinc/32/02/92/337320292.db2.gz	WANGAWBZJWLAPK-SFHVURJKSA-N	0	3	320.396	2.949	20	30		DFEDHN
C#CCOc1ccc(CN[C@H]2CCc3nc(C(C)C)nn3C2)cc1	ZINC000113338567	337391089	/nfs/dbraw/zinc/39/10/89/337391089.db2.gz	ODEGLZDCHOLZJW-INIZCTEOSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000135009409	337450413	/nfs/dbraw/zinc/45/04/13/337450413.db2.gz	XXGSOZKLPMFDFR-MDZRGWNJSA-N	0	3	322.493	2.937	20	30		DFEDHN
C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(OCC#N)cc1	ZINC000245849617	337495358	/nfs/dbraw/zinc/49/53/58/337495358.db2.gz	GEFCPUZADPOCOO-FASAQXTFSA-N	0	3	308.381	2.898	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@H](C)c1ccccc1	ZINC000246041838	337507049	/nfs/dbraw/zinc/50/70/49/337507049.db2.gz	XDYGABYNDRQKSZ-OWCLPIDISA-N	0	3	301.434	2.776	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@@H](C#N)C1	ZINC000248872754	337568060	/nfs/dbraw/zinc/56/80/60/337568060.db2.gz	QSTIVDBLTBHDMN-OAGGEKHMSA-N	0	3	320.458	2.911	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccccc1	ZINC000270440320	337640773	/nfs/dbraw/zinc/64/07/73/337640773.db2.gz	QQLYDVLRVQRCNC-SFHVURJKSA-N	0	3	313.445	2.734	20	30		DFEDHN
N#CCCCOc1cccc(N[C@H](C2CC2)[C@@H]2CNCCO2)c1	ZINC000423027411	337696220	/nfs/dbraw/zinc/69/62/20/337696220.db2.gz	OTDWQMAOCUERSY-ZWKOTPCHSA-N	0	3	315.417	2.548	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Br)c1	ZINC000424083923	337731608	/nfs/dbraw/zinc/73/16/08/337731608.db2.gz	BNVZMIODQRIFIP-GWCFXTLKSA-N	0	3	324.222	2.647	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1csc2ccccc12	ZINC000424092390	337732957	/nfs/dbraw/zinc/73/29/57/337732957.db2.gz	OUGBUIIMSZTGMZ-AWEZNQCLSA-N	0	3	301.415	2.581	20	30		DFEDHN
CC1(C)CN(C(=O)[C@H](N)CCCC#N)c2cccc(Cl)c21	ZINC000424109388	337738178	/nfs/dbraw/zinc/73/81/78/337738178.db2.gz	ATVQCGYXSKWWGI-GFCCVEGCSA-N	0	3	305.809	2.985	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCC#N)c1ccccc1Cl	ZINC000424112360	337739843	/nfs/dbraw/zinc/73/98/43/337739843.db2.gz	JJFYPXJNWLFRMH-CQSZACIVSA-N	0	3	307.825	2.755	20	30		DFEDHN
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424113390	337740834	/nfs/dbraw/zinc/74/08/34/337740834.db2.gz	NOCVUECXEICUTL-GOEBONIOSA-N	0	3	301.434	2.880	20	30		DFEDHN
COc1c(Cl)cc(NC(=O)[C@@H](N)CCCC#N)cc1Cl	ZINC000424113907	337741281	/nfs/dbraw/zinc/74/12/81/337741281.db2.gz	OYABFFFQEKKDGQ-NSHDSACASA-N	0	3	316.188	2.962	20	30		DFEDHN
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424122151	337747398	/nfs/dbraw/zinc/74/73/98/337747398.db2.gz	IOTXGWPZYUBCRK-IRXDYDNUSA-N	0	3	301.434	2.796	20	30		DFEDHN
CC(C)(C)C(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424135559	337755075	/nfs/dbraw/zinc/75/50/75/337755075.db2.gz	ZFIWOHZZMZRFNB-CQSZACIVSA-N	0	3	301.390	2.875	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21	ZINC000424171161	337791583	/nfs/dbraw/zinc/79/15/83/337791583.db2.gz	LKDVUHKFBKSWBV-KGLIPLIRSA-N	0	3	321.808	2.691	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(CC(=O)NC)CC1	ZINC000093588070	337918920	/nfs/dbraw/zinc/91/89/20/337918920.db2.gz	UHLHBNOBYVOBAA-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2nsc3ccccc32)CC1	ZINC000424655276	337943594	/nfs/dbraw/zinc/94/35/94/337943594.db2.gz	VWISRBLOWFUFBD-UHFFFAOYSA-N	0	3	315.442	2.605	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1	ZINC000426005976	338019324	/nfs/dbraw/zinc/01/93/24/338019324.db2.gz	DGRGAVRWOJKXQT-QGZVFWFLSA-N	0	3	323.481	2.626	20	30		DFEDHN
CO[C@](C)(CNC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000428269429	338045009	/nfs/dbraw/zinc/04/50/09/338045009.db2.gz	QAUSLJQGKINZCO-MAUKXSAKSA-N	0	3	300.402	2.690	20	30		DFEDHN
COc1cc(NC(C)=O)ccc1[C@@H](C)NCC1(CC#N)CC1	ZINC000430739452	338112916	/nfs/dbraw/zinc/11/29/16/338112916.db2.gz	DQYMUCRWJBPAHP-GFCCVEGCSA-N	0	3	301.390	2.998	20	30		DFEDHN
N#CCCC[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1	ZINC000433028751	338177246	/nfs/dbraw/zinc/17/72/46/338177246.db2.gz	PVHKFDNPMOEIAY-MRXNPFEDSA-N	0	3	321.384	2.547	20	30		DFEDHN
CCc1ccc([C@@H]2CCN(CC(=O)N(CC)CCC#N)C2)cc1	ZINC000433086303	338181085	/nfs/dbraw/zinc/18/10/85/338181085.db2.gz	ZYCRMWAJAVMIBI-GOSISDBHSA-N	0	3	313.445	2.800	20	30		DFEDHN
CC(C)CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000433173276	338184104	/nfs/dbraw/zinc/18/41/04/338184104.db2.gz	HPFPJLJKNGKLHA-SFHVURJKSA-N	0	3	313.445	2.559	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1COc2ccccc2C1	ZINC000433225666	338186709	/nfs/dbraw/zinc/18/67/09/338186709.db2.gz	JCHAMSJUJFPXMA-MSOLQXFVSA-N	0	3	320.392	2.879	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000433294758	338189680	/nfs/dbraw/zinc/18/96/80/338189680.db2.gz	ATDKKCMAJKOOOP-MSOLQXFVSA-N	0	3	315.461	2.851	20	30		DFEDHN
C[C@H](O)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433371735	338194009	/nfs/dbraw/zinc/19/40/09/338194009.db2.gz	FHXPOINVQHQGMQ-HOCLYGCPSA-N	0	3	302.418	2.672	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CCCCO1	ZINC000433374728	338194112	/nfs/dbraw/zinc/19/41/12/338194112.db2.gz	VVIZIOISSOVKCO-IRXDYDNUSA-N	0	3	300.402	2.834	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(Br)s1	ZINC000435733330	338246752	/nfs/dbraw/zinc/24/67/52/338246752.db2.gz	SPJLOVWMKNFYBH-BXKDBHETSA-N	0	3	317.252	2.976	20	30		DFEDHN
C=CCC[C@@H](NC(=O)NCCNc1ccncc1)c1ccccc1	ZINC000435765282	338248342	/nfs/dbraw/zinc/24/83/42/338248342.db2.gz	SJIFFHSLVSZSSC-GOSISDBHSA-N	0	3	324.428	2.922	20	30		DFEDHN
C=CCOc1ccc(CN[C@@]2(CO)C[C@H](OCC)C2(C)C)cc1	ZINC000436394834	338270563	/nfs/dbraw/zinc/27/05/63/338270563.db2.gz	URRKSPFDUJLLED-PKOBYXMFSA-N	0	3	319.445	2.907	20	30		DFEDHN
N#CCC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1	ZINC000438833829	338353129	/nfs/dbraw/zinc/35/31/29/338353129.db2.gz	HBIZPRATBRGQCV-RDJZCZTQSA-N	0	3	312.417	2.567	20	30		DFEDHN
COc1ccc(CNC[C@@H](O)C2CCC2)cc1OCCCC#N	ZINC000449742411	338649720	/nfs/dbraw/zinc/64/97/20/338649720.db2.gz	ZQLBPIUXZUAOHM-MRXNPFEDSA-N	0	3	318.417	2.628	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000451604941	338740253	/nfs/dbraw/zinc/74/02/53/338740253.db2.gz	IZYKNMIFPQIUAC-RKLWJJNISA-N	0	3	322.836	2.839	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000451607063	338740275	/nfs/dbraw/zinc/74/02/75/338740275.db2.gz	OMNMBGKPDCHGLM-KKBFJZEXSA-N	0	3	314.429	2.676	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1ccc(CC)cc1	ZINC000451676544	338741689	/nfs/dbraw/zinc/74/16/89/338741689.db2.gz	SNUTVKCGQAHSTG-MSOLQXFVSA-N	0	3	316.445	2.531	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(CC)cc1	ZINC000451681931	338741920	/nfs/dbraw/zinc/74/19/20/338741920.db2.gz	PQRBBIBKRHFHKY-QGTPRVQTSA-N	0	3	316.445	2.749	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453451626	338843202	/nfs/dbraw/zinc/84/32/02/338843202.db2.gz	SKFLSJFGRVRAHW-CQSZACIVSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCOCC2CCCC2)CC1	ZINC000454461439	338864236	/nfs/dbraw/zinc/86/42/36/338864236.db2.gz	JJOFRJHPLKOWCD-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
N#CCc1cccc(NC(=O)NCCN2CCCCCC2)c1	ZINC000455946315	338914973	/nfs/dbraw/zinc/91/49/73/338914973.db2.gz	NBBVTIXJFFLCBJ-UHFFFAOYSA-N	0	3	300.406	2.750	20	30		DFEDHN
N#C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccccc1F	ZINC000457521159	338967805	/nfs/dbraw/zinc/96/78/05/338967805.db2.gz	MRZZNHIQJPAKJE-QGZVFWFLSA-N	0	3	315.392	2.771	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CC1	ZINC000458311609	338995617	/nfs/dbraw/zinc/99/56/17/338995617.db2.gz	AUYMPCVWZAQBIU-ZWKOTPCHSA-N	0	3	317.477	2.857	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000458811608	339006241	/nfs/dbraw/zinc/00/62/41/339006241.db2.gz	PHPLRTSIDKJTDC-HRCADAONSA-N	0	3	307.482	2.960	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)NCC(C)(C)CC#N	ZINC000459233659	339017095	/nfs/dbraw/zinc/01/70/95/339017095.db2.gz	IYVXRUOBHLPDQN-UHFFFAOYSA-N	0	3	308.470	2.834	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)NCC(C)(C)CC#N)o1	ZINC000459257271	339017977	/nfs/dbraw/zinc/01/79/77/339017977.db2.gz	KDACUEUQSAMITQ-UHFFFAOYSA-N	0	3	320.437	2.601	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)NCC(C)(C)CC#N)CC2)CC1	ZINC000459258860	339018153	/nfs/dbraw/zinc/01/81/53/339018153.db2.gz	MQZDMLBLGXNBMM-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
COCCN(CCCC(C)(C)C#N)Cc1c(C)nn(C)c1C	ZINC000459560292	339035618	/nfs/dbraw/zinc/03/56/18/339035618.db2.gz	CYOYKETZQILFDV-UHFFFAOYSA-N	0	3	306.454	2.815	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000461952879	339069661	/nfs/dbraw/zinc/06/96/61/339069661.db2.gz	DDAORNXWVXLIKE-SJORKVTESA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)C(C)C	ZINC000465551430	339179448	/nfs/dbraw/zinc/17/94/48/339179448.db2.gz	WOGMYJRMQYKZQB-BBWFWOEESA-N	0	3	319.493	2.982	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)NCC#Cc1cccc(F)c1	ZINC000488578183	339788228	/nfs/dbraw/zinc/78/82/28/339788228.db2.gz	NMGRTUQDKIIZLQ-UHFFFAOYSA-N	0	3	310.372	2.669	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)CC1	ZINC000491454354	339862811	/nfs/dbraw/zinc/86/28/11/339862811.db2.gz	YFIMBPNSSOOZBP-YHOLWWCESA-N	0	3	302.462	2.663	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC[C@@H]2CCc3ccccc32)CC1	ZINC000491647006	339870933	/nfs/dbraw/zinc/87/09/33/339870933.db2.gz	VUKGXFUTIOUBLY-KRWDZBQOSA-N	0	3	310.441	2.568	20	30		DFEDHN
C#C[C@H](NC(=O)Nc1cc(CN(C)C)ccc1OC)C(C)C	ZINC000491750266	339878661	/nfs/dbraw/zinc/87/86/61/339878661.db2.gz	HZXRKKNRPYPRMH-AWEZNQCLSA-N	0	3	303.406	2.536	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1ccc(SC(C)C)cc1	ZINC000491785938	339881483	/nfs/dbraw/zinc/88/14/83/339881483.db2.gz	SXXCLZZWFDMOOH-AWEZNQCLSA-N	0	3	304.459	2.977	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1ccncc1)C(C)C	ZINC000491843743	339885025	/nfs/dbraw/zinc/88/50/25/339885025.db2.gz	JNRRUQLPZGNPGL-LKGOPFMKSA-N	0	3	313.445	2.910	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)C(C)C	ZINC000494672237	339957409	/nfs/dbraw/zinc/95/74/09/339957409.db2.gz	LIFOYVUPKIYQKB-VVLHAWIVSA-N	0	3	305.466	2.783	20	30		DFEDHN
C=CC[C@H](CO)NCc1cnc(NC(=O)OC(C)(C)C)s1	ZINC000495646682	339989118	/nfs/dbraw/zinc/98/91/18/339989118.db2.gz	JFXZUHBEPWCNKF-SNVBAGLBSA-N	0	3	313.423	2.517	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1	ZINC000496416802	340004975	/nfs/dbraw/zinc/00/49/75/340004975.db2.gz	JVGKYGVRMUTDLG-UKRRQHHQSA-N	0	3	321.421	2.586	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCc3c(cccc3N3CCOC3=O)C2)C1	ZINC000496531005	340007286	/nfs/dbraw/zinc/00/72/86/340007286.db2.gz	UZDUQEURSXIKPA-HIFRSBDPSA-N	0	3	311.385	2.694	20	30		DFEDHN
C=CCC[C@H](O)CN(C)[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496655171	340009885	/nfs/dbraw/zinc/00/98/85/340009885.db2.gz	NMQBPGIJDWPXQQ-PBHICJAKSA-N	0	3	318.417	2.963	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC[C@H](C#N)CCC#N	ZINC000496702623	340010828	/nfs/dbraw/zinc/01/08/28/340010828.db2.gz	PKDQOGOFIDFDKM-QLFBSQMISA-N	0	3	320.437	2.665	20	30		DFEDHN
N#CC1(CNC2CCN(C(=O)OCc3ccccc3)CC2)CC1	ZINC000496872642	340015042	/nfs/dbraw/zinc/01/50/42/340015042.db2.gz	FJGSZHMSTXVZFL-UHFFFAOYSA-N	0	3	313.401	2.681	20	30		DFEDHN
C#CC[C@H](CC(F)(F)F)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000496913537	340016010	/nfs/dbraw/zinc/01/60/10/340016010.db2.gz	TTYLYJNXTMGYDN-GHMZBOCLSA-N	0	3	308.344	2.834	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](CN2CCOC2=O)C1	ZINC000497119297	340020857	/nfs/dbraw/zinc/02/08/57/340020857.db2.gz	WFILTEZGKLLSOS-HNNXBMFYSA-N	0	3	316.401	2.526	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@](C)(F)C1)C(C)C	ZINC000500795959	340067452	/nfs/dbraw/zinc/06/74/52/340067452.db2.gz	VOACTQWSNSHXJL-NVXWUHKLSA-N	0	3	311.445	2.829	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCCCC#N)C1	ZINC000507332379	340217398	/nfs/dbraw/zinc/21/73/98/340217398.db2.gz	ILXQVLIXONGVCE-DOTOQJQBSA-N	0	3	314.433	2.815	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)NCC(C)(C)C#N	ZINC000512778677	340377314	/nfs/dbraw/zinc/37/73/14/340377314.db2.gz	OQYSWXJCVIBTQN-UHFFFAOYSA-N	0	3	308.470	2.690	20	30		DFEDHN
C=C(Br)CN[C@@H](C)C1CCN(C(=O)OCC)CC1	ZINC000186423867	340512543	/nfs/dbraw/zinc/51/25/43/340512543.db2.gz	KAVPJFQSPPLYFJ-NSHDSACASA-N	0	3	319.243	2.742	20	30		DFEDHN
C=CCNC(=O)CN[C@H](COc1c(C)cccc1C)C(C)(C)C	ZINC000538324088	340818206	/nfs/dbraw/zinc/81/82/06/340818206.db2.gz	ZOEODEHFQYNDIZ-MRXNPFEDSA-N	0	3	318.461	2.989	20	30		DFEDHN
N#CCC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000541022118	340956445	/nfs/dbraw/zinc/95/64/45/340956445.db2.gz	UCLQBTDPGHJODT-UHFFFAOYSA-N	0	3	316.361	2.549	20	30		DFEDHN
COC[C@@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(C)C	ZINC000541596149	340976820	/nfs/dbraw/zinc/97/68/20/340976820.db2.gz	IZWAFSZFERQKCJ-GARNVTTQSA-N	0	3	323.481	2.566	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](COC)C(C)C	ZINC000567520306	341040067	/nfs/dbraw/zinc/04/00/67/341040067.db2.gz	JYGSBTXDTWGISE-ZBFHGGJFSA-N	0	3	324.490	2.912	20	30		DFEDHN
CC(C)(NCC(=O)NC1(C#N)CCCCC1)c1cccs1	ZINC000543506119	341048000	/nfs/dbraw/zinc/04/80/00/341048000.db2.gz	OJVRHMBYSOQFGJ-UHFFFAOYSA-N	0	3	305.447	2.915	20	30		DFEDHN
N#CCC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000543809770	341059990	/nfs/dbraw/zinc/05/99/90/341059990.db2.gz	CTXHBKDILLKBNT-OAHLLOKOSA-N	0	3	313.401	2.533	20	30		DFEDHN
N#CC1(c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CCCCC1	ZINC000545134755	341109943	/nfs/dbraw/zinc/10/99/43/341109943.db2.gz	BMGGNQLARKNNJN-STQMWFEESA-N	0	3	313.405	2.650	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000132343141	341121049	/nfs/dbraw/zinc/12/10/49/341121049.db2.gz	ITFTWKDVMBUAEG-LSDHHAIUSA-N	0	3	312.454	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N([C@@H](C)C2CC2)C2CC2)CC1	ZINC000074129994	341129576	/nfs/dbraw/zinc/12/95/76/341129576.db2.gz	YADWIFQANNYJFJ-AWEZNQCLSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000133221381	341164360	/nfs/dbraw/zinc/16/43/60/341164360.db2.gz	WISSMPXQSHEKCL-MRXNPFEDSA-N	0	3	318.461	2.994	20	30		DFEDHN
N#CC(C(=O)c1cccc([C@H]2CCCOC2)c1)c1ccncn1	ZINC000546860925	341183881	/nfs/dbraw/zinc/18/38/81/341183881.db2.gz	VSNYUUZWBJVPRU-JKSUJKDBSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccncn1	ZINC000546859570	341183929	/nfs/dbraw/zinc/18/39/29/341183929.db2.gz	LTQAOQBFQUEEEP-HOTGVXAUSA-N	0	3	323.352	2.524	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C1CCOCC1)C(C)C	ZINC000134167455	341208238	/nfs/dbraw/zinc/20/82/38/341208238.db2.gz	YRCJCXMTXIDNDD-WMZOPIPTSA-N	0	3	322.493	2.864	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C1CCOCC1)C(C)C	ZINC000134167880	341208266	/nfs/dbraw/zinc/20/82/66/341208266.db2.gz	YRCJCXMTXIDNDD-AEFFLSMTSA-N	0	3	322.493	2.864	20	30		DFEDHN
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC1CC1	ZINC000077194695	341220303	/nfs/dbraw/zinc/22/03/03/341220303.db2.gz	SITSLZAQJOGBPZ-CQSZACIVSA-N	0	3	315.417	2.672	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC(C2CC2)C2CC2)cc1	ZINC000547770685	341231572	/nfs/dbraw/zinc/23/15/72/341231572.db2.gz	HQEPOVSHIDZKFQ-QGZVFWFLSA-N	0	3	307.397	2.793	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CCC(N)=O)C1	ZINC000135179421	341232825	/nfs/dbraw/zinc/23/28/25/341232825.db2.gz	KAGOSTAARCOITE-HNNXBMFYSA-N	0	3	313.445	2.965	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c(C)noc1C)C(C)C	ZINC000078397441	341241542	/nfs/dbraw/zinc/24/15/42/341241542.db2.gz	ILTYONMDSAZHHU-OAHLLOKOSA-N	0	3	305.422	2.720	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCOC(C)(C)C1)C(C)C	ZINC000079440327	341259123	/nfs/dbraw/zinc/25/91/23/341259123.db2.gz	DEOKPBMLUMSFIG-MRXNPFEDSA-N	0	3	323.481	2.505	20	30		DFEDHN
CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000549039593	341284495	/nfs/dbraw/zinc/28/44/95/341284495.db2.gz	RFVSBCLMTNZSAC-ZDUSSCGKSA-N	0	3	323.318	2.945	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000549195994	341288596	/nfs/dbraw/zinc/28/85/96/341288596.db2.gz	IIBWCEHYCITIQL-CQSZACIVSA-N	0	3	320.824	2.546	20	30		DFEDHN
CN(CCCC(C)(C)C#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000246085674	341324388	/nfs/dbraw/zinc/32/43/88/341324388.db2.gz	GEHYXSWNUBFRCB-ZIAGYGMSSA-N	0	3	300.468	2.604	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCCC(C)(C)C#N	ZINC000551413252	341340948	/nfs/dbraw/zinc/34/09/48/341340948.db2.gz	GYOOUZOVVORDBT-HOCLYGCPSA-N	0	3	302.418	2.936	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCC(C)(C)C#N	ZINC000551413250	341340964	/nfs/dbraw/zinc/34/09/64/341340964.db2.gz	GYOOUZOVVORDBT-GDBMZVCRSA-N	0	3	302.418	2.936	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C	ZINC000246340853	341342979	/nfs/dbraw/zinc/34/29/79/341342979.db2.gz	FFZHMDZJDXMFFX-SOLBZPMBSA-N	0	3	313.445	2.873	20	30		DFEDHN
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NC1(C#N)CCCCC1	ZINC000247707858	341369486	/nfs/dbraw/zinc/36/94/86/341369486.db2.gz	ZKQQGQFRQWIALP-OWCLPIDISA-N	0	3	303.450	2.982	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](C)[C@@H]2CO)ccc1OC	ZINC000249037701	341392415	/nfs/dbraw/zinc/39/24/15/341392415.db2.gz	CNCLRVPRRRGGFV-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@H](C)C1	ZINC000249042450	341392522	/nfs/dbraw/zinc/39/25/22/341392522.db2.gz	NISRPCHMIUABIH-NVXWUHKLSA-N	0	3	321.486	2.840	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C#N	ZINC000249064283	341393039	/nfs/dbraw/zinc/39/30/39/341393039.db2.gz	ZBSBKKYSLCQSRL-NVXWUHKLSA-N	0	3	316.449	2.602	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@@H]2CO)cc1OCCCC#N	ZINC000249080056	341393312	/nfs/dbraw/zinc/39/33/12/341393312.db2.gz	LNANQTHWXXVDBR-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)CSCC#N)N2CCCC2)cc1	ZINC000143127688	341400644	/nfs/dbraw/zinc/40/06/44/341400644.db2.gz	NMYGPMHTWFKRMV-INIZCTEOSA-N	0	3	317.458	2.505	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNCCO2	ZINC000567713148	341629084	/nfs/dbraw/zinc/62/90/84/341629084.db2.gz	KNKLVNLPQHQFRP-HNNXBMFYSA-N	0	3	301.390	2.741	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000567820178	341635140	/nfs/dbraw/zinc/63/51/40/341635140.db2.gz	HFXAWYINZLJPKI-INIZCTEOSA-N	0	3	314.433	2.584	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1Oc1ccccc1	ZINC000568740373	341680126	/nfs/dbraw/zinc/68/01/26/341680126.db2.gz	QAXOHIRIEXUNOJ-KVDVXYDOSA-N	0	3	300.402	2.893	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1cc(Cl)ccc1Cl	ZINC000576579040	341853204	/nfs/dbraw/zinc/85/32/04/341853204.db2.gz	XSHCJTVKIXNECT-NSHDSACASA-N	0	3	303.189	2.626	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cnn(C)c1	ZINC000593719311	500887967	/nfs/dbraw/zinc/88/79/67/500887967.db2.gz	BMOYTKHXRRYBER-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CCN(C2CCC2)C1	ZINC000425271641	518184809	/nfs/dbraw/zinc/18/48/09/518184809.db2.gz	VRLCIGUTEHJGJY-CQSZACIVSA-N	0	3	310.445	2.753	20	30		DFEDHN
CCCCOC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000365040806	520799994	/nfs/dbraw/zinc/79/99/94/520799994.db2.gz	QRNRGNQZXQEZGO-IBGZPJMESA-N	0	3	314.429	2.825	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(C3CCOCC3)CC2)cc1	ZINC000153509747	526688843	/nfs/dbraw/zinc/68/88/43/526688843.db2.gz	JCEGWVMNBOVVEJ-IBGZPJMESA-N	0	3	314.429	2.730	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCOC3(CCCC3)C2)c1	ZINC000158226930	526725728	/nfs/dbraw/zinc/72/57/28/526725728.db2.gz	QWIMYSREJTXYPM-UHFFFAOYSA-N	0	3	300.402	2.972	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)nn1	ZINC000301966016	528752712	/nfs/dbraw/zinc/75/27/12/528752712.db2.gz	KJSGHFQRMYQISE-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
C=CC[C@@H](CO)NCc1c(C)nn(C)c1Oc1ccccc1	ZINC000680485019	545501218	/nfs/dbraw/zinc/50/12/18/545501218.db2.gz	UINRAYAEIKBTCP-AWEZNQCLSA-N	0	3	301.390	2.547	20	30		DFEDHN
COCc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1	ZINC000680934685	545566822	/nfs/dbraw/zinc/56/68/22/545566822.db2.gz	SCXHGDIHHJSHNA-CYBMUJFWSA-N	0	3	306.325	2.594	20	30		DFEDHN
C=CCCOCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000682385684	545835913	/nfs/dbraw/zinc/83/59/13/545835913.db2.gz	QFKMPFCJAPPQEG-CRAIPNDOSA-N	0	3	304.434	2.695	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000684139807	546157317	/nfs/dbraw/zinc/15/73/17/546157317.db2.gz	UHIJBUYTYHKGEW-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CNc2ccnn2C1	ZINC000684202815	546171715	/nfs/dbraw/zinc/17/17/15/546171715.db2.gz	YDKFJVYHUZCUQI-INIZCTEOSA-N	0	3	312.417	2.622	20	30		DFEDHN
COCCCN1CCC(Nc2nc(Cl)c(C#N)s2)CC1	ZINC000278457016	214166699	/nfs/dbraw/zinc/16/66/99/214166699.db2.gz	AEHBVGBSGBWNAU-UHFFFAOYSA-N	0	3	314.842	2.581	20	30		DFEDHN
CCCN(CC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000065875490	398348897	/nfs/dbraw/zinc/34/88/97/398348897.db2.gz	OOQZOYOMDGXHQG-INIZCTEOSA-N	0	3	317.408	2.800	20	30		DFEDHN
CCC[C@@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596185495	398350988	/nfs/dbraw/zinc/35/09/88/398350988.db2.gz	MLMUKVIFVHJKGH-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCN1CCC(Nc2c(C#N)cnc3ccc(OC)cc32)CC1	ZINC000591912700	398351784	/nfs/dbraw/zinc/35/17/84/398351784.db2.gz	SCIMCGSLYLIOGB-UHFFFAOYSA-N	0	3	322.412	2.599	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C)CC1	ZINC000066174573	398361023	/nfs/dbraw/zinc/36/10/23/398361023.db2.gz	CGEVYXZHDNTTAK-UHFFFAOYSA-N	0	3	314.433	2.572	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N(C)C[C@H]3CCCN3C)c2c1	ZINC000591951554	398361619	/nfs/dbraw/zinc/36/16/19/398361619.db2.gz	XQWTVGLJIILEJQ-CQSZACIVSA-N	0	3	310.401	2.645	20	30		DFEDHN
CCCN(CCN1CCCC1)c1nc2ncccc2cc1C#N	ZINC000596232955	398363868	/nfs/dbraw/zinc/36/38/68/398363868.db2.gz	UPNRPLYIGKFXDB-UHFFFAOYSA-N	0	3	309.417	2.814	20	30		DFEDHN
C[C@@H](C#N)CN(C(=O)Nc1ccc2c(c1F)CCNC2)C1CC1	ZINC000578424135	398372739	/nfs/dbraw/zinc/37/27/39/398372739.db2.gz	YCXVNTOEQFLBFN-NSHDSACASA-N	0	3	316.380	2.627	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCC3=O)CC1	ZINC000578609977	398374223	/nfs/dbraw/zinc/37/42/23/398374223.db2.gz	WXADZUAZYMSGJS-UHFFFAOYSA-N	0	3	313.401	2.587	20	30		DFEDHN
C[C@@](C#N)(NC(=O)C1CCN(C2CC2)CC1)C1CCCCC1	ZINC000579186793	398378512	/nfs/dbraw/zinc/37/85/12/398378512.db2.gz	HMKDJELWUWRWCQ-SFHVURJKSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC1(C)[C@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000579223522	398379123	/nfs/dbraw/zinc/37/91/23/398379123.db2.gz	SWXKPHSXLKSILN-INIZCTEOSA-N	0	3	311.429	2.817	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2cc(C)ccc2Cl)CC1	ZINC000592070461	398379239	/nfs/dbraw/zinc/37/92/39/398379239.db2.gz	TUQORZDCOZZRCS-UHFFFAOYSA-N	0	3	322.836	2.794	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(N(C)C)c(F)c2)CC1	ZINC000592071275	398380264	/nfs/dbraw/zinc/38/02/64/398380264.db2.gz	SUPHFHCTMVYMEX-UHFFFAOYSA-N	0	3	319.424	2.662	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOc2cccc(F)c2)CC1	ZINC000592075691	398380299	/nfs/dbraw/zinc/38/02/99/398380299.db2.gz	WMPFKTDTWTWTSW-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C1	ZINC000579486947	398380372	/nfs/dbraw/zinc/38/03/72/398380372.db2.gz	ALTARJVCJMDVSK-KBAYOESNSA-N	0	3	307.397	2.871	20	30		DFEDHN
C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000579509850	398381377	/nfs/dbraw/zinc/38/13/77/398381377.db2.gz	GUKZAPCHNMXVHK-ONIAQPFYSA-N	0	3	311.429	2.625	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](CC(=O)OC(C)C)c1ccccc1	ZINC000272832103	210231711	/nfs/dbraw/zinc/23/17/11/210231711.db2.gz	LGZXHPDZEGOGSR-IRXDYDNUSA-N	0	3	305.418	2.986	20	30		DFEDHN
N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	ZINC000592123224	398387210	/nfs/dbraw/zinc/38/72/10/398387210.db2.gz	RANQGSJOXOSXEO-AQNXPRMDSA-N	0	3	319.408	2.958	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c(C#N)c1	ZINC000181364716	199285988	/nfs/dbraw/zinc/28/59/88/199285988.db2.gz	PJZXWFKBYVAREE-UHFFFAOYSA-N	0	3	310.401	2.527	20	30		DFEDHN
CCCCNC(=O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1	ZINC000092710495	185335703	/nfs/dbraw/zinc/33/57/03/185335703.db2.gz	AOBUQQBTMDAJSI-CQSZACIVSA-N	0	3	305.447	2.748	20	30		DFEDHN
N#CC[C@]1(O)CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000592152396	398392567	/nfs/dbraw/zinc/39/25/67/398392567.db2.gz	XAIDYAYAZHDTNH-IBGZPJMESA-N	0	3	310.397	2.959	20	30		DFEDHN
C=CCCCCN1CCN(c2ccc(C(=O)OCC)cn2)CC1	ZINC000581865315	398394050	/nfs/dbraw/zinc/39/40/50/398394050.db2.gz	JPCSISKINFVDBB-UHFFFAOYSA-N	0	3	317.433	2.737	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000247323073	398400684	/nfs/dbraw/zinc/40/06/84/398400684.db2.gz	ITFTWKDVMBUAEG-GJZGRUSLSA-N	0	3	312.454	2.645	20	30		DFEDHN
CN1CCc2ncnc(Oc3ccc(C#N)cc3Cl)c2C1	ZINC000299555046	529814731	/nfs/dbraw/zinc/81/47/31/529814731.db2.gz	CZZCMJPVPGRXLZ-UHFFFAOYSA-N	0	3	300.749	2.782	20	30		DFEDHN
C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cccc(C#N)c1	ZINC000181651845	199333398	/nfs/dbraw/zinc/33/33/98/199333398.db2.gz	XJEYOGLGLJCZFE-AWEZNQCLSA-N	0	3	323.396	2.735	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CCC1	ZINC000592345026	398413067	/nfs/dbraw/zinc/41/30/67/398413067.db2.gz	AASVKQAODKMZBV-AWEZNQCLSA-N	0	3	305.809	2.857	20	30		DFEDHN
C[C@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)CO1	ZINC000592378221	398418460	/nfs/dbraw/zinc/41/84/60/398418460.db2.gz	AXXOMMOKWVWBBU-WMLDXEAASA-N	0	3	310.401	2.731	20	30		DFEDHN
N#Cc1cnccc1CN1CCNC[C@H]1c1cccc(Cl)c1	ZINC000592489142	398432633	/nfs/dbraw/zinc/43/26/33/398432633.db2.gz	HYNFNUXYIGMRKC-KRWDZBQOSA-N	0	3	312.804	2.753	20	30		DFEDHN
COCC[C@@H](C)ON=C(N)c1ccccc1CN1CCCCC1	ZINC000088519820	398438193	/nfs/dbraw/zinc/43/81/93/398438193.db2.gz	HULJIIRRQMIGJG-OAHLLOKOSA-N	0	3	319.449	2.734	20	30		DFEDHN
COc1cc(CN2CCC(CCC#N)CC2)cc(OC)c1O	ZINC000592517578	398440100	/nfs/dbraw/zinc/44/01/00/398440100.db2.gz	UGYMJLKVFXCNTG-UHFFFAOYSA-N	0	3	304.390	2.925	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2cc(F)ccc2F)CC1	ZINC000592485821	398432857	/nfs/dbraw/zinc/43/28/57/398432857.db2.gz	BLXIHUSTJFAWMN-GFCCVEGCSA-N	0	3	323.387	2.975	20	30		DFEDHN
CN(C)Cc1ccccc1NC(=O)COc1ccc(C#N)cc1	ZINC000024810193	398434024	/nfs/dbraw/zinc/43/40/24/398434024.db2.gz	OSGSCLLZFZVWGB-UHFFFAOYSA-N	0	3	309.369	2.637	20	30		DFEDHN
CC1(C)CN(C[C@H]2CNc3c(C#N)cnn3C2)[C@H]1c1ccccc1	ZINC000592499887	398434597	/nfs/dbraw/zinc/43/45/97/398434597.db2.gz	CBJRUFHCBZWISK-PBHICJAKSA-N	0	3	321.428	2.880	20	30		DFEDHN
N#Cc1cnn2cc(CNCC3(Cc4ccccc4)CC3)cnc12	ZINC000592503945	398436361	/nfs/dbraw/zinc/43/63/61/398436361.db2.gz	LSGBIVUCFXVLNT-UHFFFAOYSA-N	0	3	317.396	2.713	20	30		DFEDHN
COCC[C@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000268001149	398444195	/nfs/dbraw/zinc/44/41/95/398444195.db2.gz	NEEUPVFQVNIMJC-HNNXBMFYSA-N	0	3	324.428	2.653	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000026207596	398450511	/nfs/dbraw/zinc/45/05/11/398450511.db2.gz	BQSOCQNUIQBSTL-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(C#N)c1	ZINC000026329634	398452886	/nfs/dbraw/zinc/45/28/86/398452886.db2.gz	HDMDNYNQUPMDRH-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
C[C@@H](C/N=C/c1cccc(O)c1O)N1CCc2ccccc2C1	ZINC000026432367	398453870	/nfs/dbraw/zinc/45/38/70/398453870.db2.gz	RMOYNGYBCVTBAK-PVGUKEHMSA-N	0	3	310.397	2.964	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(F)cc3C#N)C2)C1	ZINC000296627863	530059309	/nfs/dbraw/zinc/05/93/09/530059309.db2.gz	NFLURHFBBNRBMW-QGZVFWFLSA-N	0	3	316.380	2.647	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(n2ncc(C(=O)OCC)c2C)CC1	ZINC000586772968	398455743	/nfs/dbraw/zinc/45/57/43/398455743.db2.gz	JKWHZIYJQCUCCV-AWEZNQCLSA-N	0	3	317.433	2.807	20	30		DFEDHN
C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C#N)cc1F	ZINC000330792023	232072150	/nfs/dbraw/zinc/07/21/50/232072150.db2.gz	UNCPLTOMVPGXIS-ZDUSSCGKSA-N	0	3	317.408	2.997	20	30		DFEDHN
CCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCN(CC)C1	ZINC000596659364	398473838	/nfs/dbraw/zinc/47/38/38/398473838.db2.gz	WXORSKBLCOJKOW-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2n1CC#N	ZINC000588063705	398479328	/nfs/dbraw/zinc/47/93/28/398479328.db2.gz	NYYHIXOZUHKMOV-INIZCTEOSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)C(=O)OC(C)(C)C)CC1	ZINC000592760463	398481182	/nfs/dbraw/zinc/48/11/82/398481182.db2.gz	BREAIWJCWJEBBC-UHFFFAOYSA-N	0	3	324.465	2.511	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@H]1CCN(C)C1	ZINC000596703980	398481515	/nfs/dbraw/zinc/48/15/15/398481515.db2.gz	WQSRNHZTTHSLPM-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000596708054	398482445	/nfs/dbraw/zinc/48/24/45/398482445.db2.gz	MPTIPBSOLBMTHN-AWEZNQCLSA-N	0	3	300.406	2.861	20	30		DFEDHN
C=CCCSCCNC(=O)N(CCN(C)C)C1CCCC1	ZINC000596716236	398484650	/nfs/dbraw/zinc/48/46/50/398484650.db2.gz	GXYPACVOJFANPN-UHFFFAOYSA-N	0	3	313.511	2.812	20	30		DFEDHN
CCOC(=O)CC(C)(C)CCN1CCN([C@@H](C#N)C(C)C)CC1	ZINC000588203888	398489498	/nfs/dbraw/zinc/48/94/98/398489498.db2.gz	PMFKUJFYKBXZIB-INIZCTEOSA-N	0	3	323.481	2.522	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	ZINC000592826390	398491091	/nfs/dbraw/zinc/49/10/91/398491091.db2.gz	QMOJQCWMYXTYKF-KOLCDFICSA-N	0	3	301.777	2.954	20	30		DFEDHN
CCCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C)C1	ZINC000592828157	398491872	/nfs/dbraw/zinc/49/18/72/398491872.db2.gz	DNZFDAHWCJMRGM-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
C=CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000279579393	214979684	/nfs/dbraw/zinc/97/96/84/214979684.db2.gz	PHAQYQWKQWHWRY-UHFFFAOYSA-N	0	3	301.434	2.870	20	30		DFEDHN
CCCC[C@](C)(CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592851469	398495780	/nfs/dbraw/zinc/49/57/80/398495780.db2.gz	DCYIFZHNCWMOQI-FUHWJXTLSA-N	0	3	302.418	2.816	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000596773638	398498801	/nfs/dbraw/zinc/49/88/01/398498801.db2.gz	YGMVBXZAZTXACG-YESZJQIVSA-N	0	3	318.465	2.729	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC[C@H](C)C1	ZINC000596801661	398504545	/nfs/dbraw/zinc/50/45/45/398504545.db2.gz	PWFSNOMEUCGZAQ-RYUDHWBXSA-N	0	3	321.371	2.687	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21	ZINC000370465037	282453060	/nfs/dbraw/zinc/45/30/60/282453060.db2.gz	XMMLFOAYQHDMFH-CQSZACIVSA-N	0	3	309.369	2.593	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC1(C)C	ZINC000596827549	398508913	/nfs/dbraw/zinc/50/89/13/398508913.db2.gz	DGJPBLSRVKIQKK-KRWDZBQOSA-N	0	3	313.445	2.885	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CCNC1	ZINC000592958768	398511375	/nfs/dbraw/zinc/51/13/75/398511375.db2.gz	JHRSDHTZRXJGGO-GOSISDBHSA-N	0	3	312.417	2.873	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1	ZINC000308164914	398512729	/nfs/dbraw/zinc/51/27/29/398512729.db2.gz	GAOPBAMEMMXJTO-PBHICJAKSA-N	0	3	321.428	2.843	20	30		DFEDHN
N#CC1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCCC1	ZINC000596863153	398517486	/nfs/dbraw/zinc/51/74/86/398517486.db2.gz	DHYGTZOXYFDBMC-UHFFFAOYSA-N	0	3	318.465	2.730	20	30		DFEDHN
CCc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000592998768	398516898	/nfs/dbraw/zinc/51/68/98/398516898.db2.gz	VQUWPGBMVAOVQD-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
Cc1csc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1C#N	ZINC000596904087	398526415	/nfs/dbraw/zinc/52/64/15/398526415.db2.gz	NKVHSANWRWWJKM-NSHDSACASA-N	0	3	306.435	2.923	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000596909865	398527977	/nfs/dbraw/zinc/52/79/77/398527977.db2.gz	BNIPLHIWMGBSML-ZDUSSCGKSA-N	0	3	304.369	2.692	20	30		DFEDHN
COc1ccc(C2CCN(CCCSCC#N)CC2)nc1	ZINC000593039714	398528005	/nfs/dbraw/zinc/52/80/05/398528005.db2.gz	DEYVFFDFVLIGTJ-UHFFFAOYSA-N	0	3	305.447	2.916	20	30		DFEDHN
Cc1ccccc1C1(NCC(=O)N(CCC#N)CCC#N)CCC1	ZINC000593040086	398528360	/nfs/dbraw/zinc/52/83/60/398528360.db2.gz	ODUPRNOOWWSITH-UHFFFAOYSA-N	0	3	324.428	2.620	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2cccc(OCC)c2)CC1	ZINC000068794491	398528384	/nfs/dbraw/zinc/52/83/84/398528384.db2.gz	QHXWMYHYYIRDLT-OAHLLOKOSA-N	0	3	314.429	2.608	20	30		DFEDHN
Cc1ccc(C#N)nc1N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000589115375	398528547	/nfs/dbraw/zinc/52/85/47/398528547.db2.gz	XPEQJTJCVARFPE-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCC[C@H]1CN(CCC#N)CC(C)(C)C	ZINC000596994534	398542249	/nfs/dbraw/zinc/54/22/49/398542249.db2.gz	CIUYVOBPWLVQQV-LSDHHAIUSA-N	0	3	304.438	2.759	20	30		DFEDHN
C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccccc21	ZINC000593090301	398542842	/nfs/dbraw/zinc/54/28/42/398542842.db2.gz	IAPINELDSSQNJL-KUHUBIRLSA-N	0	3	319.408	2.746	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCc2ccccc2[C@H](C)C1	ZINC000593096881	398544587	/nfs/dbraw/zinc/54/45/87/398544587.db2.gz	WKYZTXVZLDQIEO-HZPDHXFCSA-N	0	3	313.445	2.656	20	30		DFEDHN
COCCN1CCN(CCC2(C#N)CCCCC2)C(C)(C)C1	ZINC000593101223	398545957	/nfs/dbraw/zinc/54/59/57/398545957.db2.gz	NHQWNFKGUVDOOG-UHFFFAOYSA-N	0	3	307.482	2.893	20	30		DFEDHN
CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCC[C@@H]1O	ZINC000091899156	398548771	/nfs/dbraw/zinc/54/87/71/398548771.db2.gz	DITXTYFTQARVSM-AEFFLSMTSA-N	0	3	302.418	2.962	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1cccc(C#N)n1)c1ccccc1	ZINC000589387319	398550120	/nfs/dbraw/zinc/55/01/20/398550120.db2.gz	VXXJFGYSWSDUCT-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000589584554	398561730	/nfs/dbraw/zinc/56/17/30/398561730.db2.gz	ZUENWJLYOVTBKZ-GOEBONIOSA-N	0	3	314.389	2.920	20	30		DFEDHN
C[C@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C#N)cc1	ZINC000325122306	398563258	/nfs/dbraw/zinc/56/32/58/398563258.db2.gz	XFJZELFLGXEEHR-KBPBESRZSA-N	0	3	318.384	2.946	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1	ZINC000041553943	398569487	/nfs/dbraw/zinc/56/94/87/398569487.db2.gz	QONREYWGICRRCV-LLVKDONJSA-N	0	3	321.258	2.994	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1cccc(CC#N)c1	ZINC000593219888	398573427	/nfs/dbraw/zinc/57/34/27/398573427.db2.gz	PYUKQRHZZIMUAC-UHFFFAOYSA-N	0	3	300.406	2.702	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CNCC1(C#N)CCC1	ZINC000597155397	398577828	/nfs/dbraw/zinc/57/78/28/398577828.db2.gz	VQNUBYFHMSWVMS-GOEBONIOSA-N	0	3	302.422	2.654	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000589821378	398577166	/nfs/dbraw/zinc/57/71/66/398577166.db2.gz	RCBBWYARMGRAGW-CZUORRHYSA-N	0	3	306.406	2.842	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@H]1CCO[C@]2(CCSC2)C1	ZINC000589821380	398577531	/nfs/dbraw/zinc/57/75/31/398577531.db2.gz	RCBBWYARMGRAGW-XJKSGUPXSA-N	0	3	306.406	2.842	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CNCC2(C#N)CCCC2)cn1	ZINC000597159304	398579418	/nfs/dbraw/zinc/57/94/18/398579418.db2.gz	XRDWDQRBRIXAKP-GOEBONIOSA-N	0	3	302.422	2.561	20	30		DFEDHN
C=C(C)COc1cc(CN(CCO)CC2CC2)ccc1OC	ZINC000092506273	398581336	/nfs/dbraw/zinc/58/13/36/398581336.db2.gz	UKSXVHRKIXOMDY-UHFFFAOYSA-N	0	3	305.418	2.854	20	30		DFEDHN
C=CCOCCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000348167543	398582930	/nfs/dbraw/zinc/58/29/30/398582930.db2.gz	JXDACCRMWUQWEG-RDJZCZTQSA-N	0	3	322.836	2.794	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]([C@@H]4CCCCO4)C3)n2c1	ZINC000597224350	398596733	/nfs/dbraw/zinc/59/67/33/398596733.db2.gz	GWKPCSISBHOEKZ-AEFFLSMTSA-N	0	3	324.428	2.987	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCCC1	ZINC000593338409	398603967	/nfs/dbraw/zinc/60/39/67/398603967.db2.gz	XIEQEMWIUVFVNK-GASCZTMLSA-N	0	3	306.454	2.632	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CNCc1ccc(Cl)s1	ZINC000071308822	398612275	/nfs/dbraw/zinc/61/22/75/398612275.db2.gz	NDPFVTGBCOJHHK-GFCCVEGCSA-N	0	3	322.817	2.803	20	30		DFEDHN
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000093282877	398627271	/nfs/dbraw/zinc/62/72/71/398627271.db2.gz	KEOZEGXUGMEMJU-MRXNPFEDSA-N	0	3	300.402	2.969	20	30		DFEDHN
N#Cc1c(NC[C@@H](O)CN2CCCCC2)cccc1C(F)F	ZINC000590571991	398632800	/nfs/dbraw/zinc/63/28/00/398632800.db2.gz	IIBNFNSZLBGXGD-GFCCVEGCSA-N	0	3	309.360	2.755	20	30		DFEDHN
CO[C@@](C)(CN1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1	ZINC000590594692	398636280	/nfs/dbraw/zinc/63/62/80/398636280.db2.gz	LDIDJPQAZAEOHU-OALUTQOASA-N	0	3	313.445	2.684	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccncn1	ZINC000354462098	398639884	/nfs/dbraw/zinc/63/98/84/398639884.db2.gz	HEJPMNDGUWUKMH-LLVKDONJSA-N	0	3	307.231	2.865	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1	ZINC000593477752	398640779	/nfs/dbraw/zinc/64/07/79/398640779.db2.gz	FSOPRAYEVKORMV-HNNXBMFYSA-N	0	3	315.417	2.958	20	30		DFEDHN
Cc1ccc(NC(=O)c2ccc(C#N)c(C)n2)c(CN(C)C)c1	ZINC000072840440	398641413	/nfs/dbraw/zinc/64/14/13/398641413.db2.gz	OFGDBRPZLYXFEN-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)CSc2ccc(C#N)cc2)CCC1	ZINC000187991548	186240348	/nfs/dbraw/zinc/24/03/48/186240348.db2.gz	VLQVNPHNRDQMSD-UHFFFAOYSA-N	0	3	317.458	2.593	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](COCCOC)C1	ZINC000093754799	398643207	/nfs/dbraw/zinc/64/32/07/398643207.db2.gz	OXEIVTIZSIJAMS-MRXNPFEDSA-N	0	3	305.418	2.736	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(Cn3cncn3)CC2)cc1	ZINC000189980033	186258415	/nfs/dbraw/zinc/25/84/15/186258415.db2.gz	GPNPHSKCMKZUJA-UHFFFAOYSA-N	0	3	324.428	2.592	20	30		DFEDHN
CCOC(=O)C[C@H](NC(=O)C(C#N)CC)c1ccccc1C	ZINC000593500491	398647528	/nfs/dbraw/zinc/64/75/28/398647528.db2.gz	OXESZKJOMDLGLA-HIFRSBDPSA-N	0	3	302.374	2.655	20	30		DFEDHN
Cc1cc(N(C)CCN2CCCCC2)c(C#N)cc1[N+](=O)[O-]	ZINC000593515350	398649836	/nfs/dbraw/zinc/64/98/36/398649836.db2.gz	MZNYCNBCWOFBPK-UHFFFAOYSA-N	0	3	302.378	2.697	20	30		DFEDHN
CN(CCOCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000268741917	186373979	/nfs/dbraw/zinc/37/39/79/186373979.db2.gz	ZTPIHMCQNKEMBI-IBGZPJMESA-N	0	3	310.397	2.740	20	30		DFEDHN
CC(C)[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000171945095	198012484	/nfs/dbraw/zinc/01/24/84/198012484.db2.gz	QFMCCQBDYRIJDX-OAHLLOKOSA-N	0	3	301.434	2.741	20	30		DFEDHN
C#CCCOc1ccc(CNCCNC(=O)c2ccccc2)cc1	ZINC000172116464	198041694	/nfs/dbraw/zinc/04/16/94/198041694.db2.gz	ZZKDLBZXGBOLMX-UHFFFAOYSA-N	0	3	322.408	2.608	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC(=O)NC1(C#N)CCC1	ZINC000590746876	398664908	/nfs/dbraw/zinc/66/49/08/398664908.db2.gz	FTXZBDJAPQTZCD-VYDXJSESSA-N	0	3	311.429	2.815	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597584854	398664377	/nfs/dbraw/zinc/66/43/77/398664377.db2.gz	TYEIJIJDLVEEAQ-HNNXBMFYSA-N	0	3	321.371	2.687	20	30		DFEDHN
N#CC1(CNC2CCN(C(=O)c3ccoc3)CC2)CCCC1	ZINC000593653142	398665841	/nfs/dbraw/zinc/66/58/41/398665841.db2.gz	CSLJGGJYFYIFJW-UHFFFAOYSA-N	0	3	301.390	2.558	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000597604800	398667544	/nfs/dbraw/zinc/66/75/44/398667544.db2.gz	KNHSQGAZTLTAOL-CYBMUJFWSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCSC[C@@H]1C1CC1	ZINC000590758673	398668422	/nfs/dbraw/zinc/66/84/22/398668422.db2.gz	IJVBHVFMQZVPFD-CYBMUJFWSA-N	0	3	321.471	2.776	20	30		DFEDHN
C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CCc2ccccc21	ZINC000593679087	398669653	/nfs/dbraw/zinc/66/96/53/398669653.db2.gz	HXOZKMAZDLHIFX-CQSZACIVSA-N	0	3	317.396	2.763	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597648962	398673602	/nfs/dbraw/zinc/67/36/02/398673602.db2.gz	TVIKUUCJHDUPQA-YPMHNXCESA-N	0	3	319.355	2.535	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1	ZINC000172759073	198145972	/nfs/dbraw/zinc/14/59/72/198145972.db2.gz	XAJSRMSZUVAOGI-QGZVFWFLSA-N	0	3	312.457	2.696	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cn[nH]c1	ZINC000593719312	398677041	/nfs/dbraw/zinc/67/70/41/398677041.db2.gz	BODCPCCIELWAGO-AWEZNQCLSA-N	0	3	309.417	2.597	20	30		DFEDHN
C=CCC1(C(=O)NCc2cccc(OCCN(C)C)c2)CCC1	ZINC000191140118	334978090	/nfs/dbraw/zinc/97/80/90/334978090.db2.gz	KWWMIFHWVVMMBB-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000597710419	398683561	/nfs/dbraw/zinc/68/35/61/398683561.db2.gz	MEINVJXFMKXXJJ-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1	ZINC000593789398	398688064	/nfs/dbraw/zinc/68/80/64/398688064.db2.gz	GKDHBULHXOXPDG-SNVBAGLBSA-N	0	3	312.200	2.802	20	30		DFEDHN
C[C@@H]1CN(CCOCCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1	ZINC000404505829	398691959	/nfs/dbraw/zinc/69/19/59/398691959.db2.gz	MRSMCEPAKYKIEP-KURKYZTESA-N	0	3	315.461	2.900	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC2(C#N)CC2)C1	ZINC000590874739	398692718	/nfs/dbraw/zinc/69/27/18/398692718.db2.gz	ZCVXGKRIEJQKEM-MRXNPFEDSA-N	0	3	311.429	2.661	20	30		DFEDHN
N#Cc1ccc2c(c1)CCN2C(=O)C1CN(C2CCCCC2)C1	ZINC000597776869	398693720	/nfs/dbraw/zinc/69/37/20/398693720.db2.gz	PBTPCXYGOUHWCZ-UHFFFAOYSA-N	0	3	309.413	2.712	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C2CC2)on1)C(C)C	ZINC000073706986	398695458	/nfs/dbraw/zinc/69/54/58/398695458.db2.gz	BPUUCBLUMVYVDZ-INIZCTEOSA-N	0	3	317.433	2.980	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)C1CN(C2CCCCC2)C1	ZINC000590904154	398698501	/nfs/dbraw/zinc/69/85/01/398698501.db2.gz	MGMIJFPNCZNBFV-UHFFFAOYSA-N	0	3	313.401	2.770	20	30		DFEDHN
CCC(CC)C(=O)N1CCC(NCc2ccc(C#N)o2)CC1	ZINC000174281948	198314243	/nfs/dbraw/zinc/31/42/43/198314243.db2.gz	RYIFLWKBYJUUQK-UHFFFAOYSA-N	0	3	303.406	2.668	20	30		DFEDHN
CC(C)(C#N)CC(=O)N1CCN(c2ccnc3ccccc32)CC1	ZINC000593897509	398701534	/nfs/dbraw/zinc/70/15/34/398701534.db2.gz	OMONBESOVODOKG-UHFFFAOYSA-N	0	3	322.412	2.823	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CCc2ccc(Cl)cc21	ZINC000593914279	398703089	/nfs/dbraw/zinc/70/30/89/398703089.db2.gz	HWDMJCCSGPCBSX-MLGOLLRUSA-N	0	3	319.836	2.849	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000597857347	398705460	/nfs/dbraw/zinc/70/54/60/398705460.db2.gz	FALXXGSILGKVFQ-ZDUSSCGKSA-N	0	3	305.809	2.814	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cn2)C1	ZINC000593961516	398709077	/nfs/dbraw/zinc/70/90/77/398709077.db2.gz	YSWIEAJPXSMNLG-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1	ZINC000597905189	398717120	/nfs/dbraw/zinc/71/71/20/398717120.db2.gz	NWGPKJVFBBXQJJ-WBVHZDCISA-N	0	3	303.450	2.936	20	30		DFEDHN
Cc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)nc1	ZINC000591039579	398718639	/nfs/dbraw/zinc/71/86/39/398718639.db2.gz	MDVFRSGNMRLOIA-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)nc1	ZINC000594015292	398722137	/nfs/dbraw/zinc/72/21/37/398722137.db2.gz	IFYSGPRHELTTAA-UXHICEINSA-N	0	3	321.424	2.911	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000594019874	398722832	/nfs/dbraw/zinc/72/28/32/398722832.db2.gz	BFBILASINFZWTO-UHFFFAOYSA-N	0	3	316.405	2.773	20	30		DFEDHN
N#Cc1ccc(C2(NCc3ccc(C(N)=O)cc3)CCC2)cc1	ZINC000594032420	398726505	/nfs/dbraw/zinc/72/65/05/398726505.db2.gz	HKVLOJFYYVNNHR-UHFFFAOYSA-N	0	3	305.381	2.826	20	30		DFEDHN
C[C@@H]1CCCN1C(=O)CCNC1(c2ccc(C#N)cc2)CCC1	ZINC000594031905	398726933	/nfs/dbraw/zinc/72/69/33/398726933.db2.gz	OBQZUJDVALOEGX-OAHLLOKOSA-N	0	3	311.429	2.928	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCCO1	ZINC000594042981	398729462	/nfs/dbraw/zinc/72/94/62/398729462.db2.gz	KZZDQKPBINPCPI-HUUCEWRRSA-N	0	3	319.405	2.644	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000597997995	398735397	/nfs/dbraw/zinc/73/53/97/398735397.db2.gz	KOZHKNNPVXROJL-JTQLQIEISA-N	0	3	312.200	2.802	20	30		DFEDHN
CC1(C)CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000112731828	398736800	/nfs/dbraw/zinc/73/68/00/398736800.db2.gz	MXZULGRYNUYMQV-MRXNPFEDSA-N	0	3	302.418	2.614	20	30		DFEDHN
CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1	ZINC000598044159	398742818	/nfs/dbraw/zinc/74/28/18/398742818.db2.gz	YTHCVTGHTCHDHB-OAHLLOKOSA-N	0	3	317.458	2.593	20	30		DFEDHN
CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(CC)C1	ZINC000598042813	398742402	/nfs/dbraw/zinc/74/24/02/398742402.db2.gz	YNARDLRWBFLXEN-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1F	ZINC000594111441	398745688	/nfs/dbraw/zinc/74/56/88/398745688.db2.gz	NVMGQSMLHOQDGE-JKSUJKDBSA-N	0	3	316.380	2.836	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1	ZINC000591311188	398747484	/nfs/dbraw/zinc/74/74/84/398747484.db2.gz	WOXGUDCMRNGEHX-QGZVFWFLSA-N	0	3	316.380	2.629	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)CCN1CCc2ccccc2C1	ZINC000598086886	398750849	/nfs/dbraw/zinc/75/08/49/398750849.db2.gz	VMFILBZNYOIGDR-WMZOPIPTSA-N	0	3	311.429	2.633	20	30		DFEDHN
C[C@]1(F)CNCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1	ZINC000591442179	398761536	/nfs/dbraw/zinc/76/15/36/398761536.db2.gz	MKLZMJZQHFYFAL-INIZCTEOSA-N	0	3	318.783	2.898	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC12CCCC2	ZINC000594197484	398763354	/nfs/dbraw/zinc/76/33/54/398763354.db2.gz	OQHMOLIVJXMJKN-MPGHIAIKSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC(C)(C)OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000598185649	398765561	/nfs/dbraw/zinc/76/55/61/398765561.db2.gz	OTJOIRPNPCXYTJ-INIZCTEOSA-N	0	3	313.401	2.562	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@H](CNCc1cccc(C#N)c1)C1CC1	ZINC000133649690	283157824	/nfs/dbraw/zinc/15/78/24/283157824.db2.gz	WFAUVNGKVMWJGM-INIZCTEOSA-N	0	3	315.417	2.951	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CCC4(CCC4)C3)C2=O)cc1	ZINC000182844645	283157332	/nfs/dbraw/zinc/15/73/32/283157332.db2.gz	XQFPDACCTVLUGY-QGZVFWFLSA-N	0	3	309.413	2.930	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1F	ZINC000591504348	398768253	/nfs/dbraw/zinc/76/82/53/398768253.db2.gz	UWUYIVCOZHKRGB-AAEUAGOBSA-N	0	3	302.271	2.633	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000264639098	283164662	/nfs/dbraw/zinc/16/46/62/283164662.db2.gz	VMNOWNQFTRCMAQ-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](N)CCCC#N	ZINC000591592196	398774355	/nfs/dbraw/zinc/77/43/55/398774355.db2.gz	RDMPSCQJZDVFBE-CYBMUJFWSA-N	0	3	303.406	2.952	20	30		DFEDHN
N#Cc1cscc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000598218012	398772565	/nfs/dbraw/zinc/77/25/65/398772565.db2.gz	CFPCJFOTWCUCRU-CYBMUJFWSA-N	0	3	303.431	2.757	20	30		DFEDHN
N#Cc1ccsc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000598220544	398773495	/nfs/dbraw/zinc/77/34/95/398773495.db2.gz	QLWZYJBZUXUJRR-CYBMUJFWSA-N	0	3	303.431	2.757	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000119073795	398774057	/nfs/dbraw/zinc/77/40/57/398774057.db2.gz	FPVBBBFDJUIGMW-MRXNPFEDSA-N	0	3	314.820	2.695	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12	ZINC000591602731	398775450	/nfs/dbraw/zinc/77/54/50/398775450.db2.gz	CVAKYFOMBLOPTE-AWEZNQCLSA-N	0	3	318.808	2.501	20	30		DFEDHN
CC[C@@H]1CN(C(=O)[C@@]2(C#N)CCNC2)CC[C@H]1c1ccccc1	ZINC000591625878	398777613	/nfs/dbraw/zinc/77/76/13/398777613.db2.gz	CWNMUEHXLYXMGX-SZVBFZGTSA-N	0	3	311.429	2.532	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@]1(C#N)CCNC1)CCC2	ZINC000591638499	398777884	/nfs/dbraw/zinc/77/78/84/398777884.db2.gz	YCEWSEWINCTGPW-MJGOQNOKSA-N	0	3	311.429	2.807	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000048216990	398777889	/nfs/dbraw/zinc/77/78/89/398777889.db2.gz	BOXJURNTSPJZIH-LJQANCHMSA-N	0	3	321.424	2.640	20	30		DFEDHN
CN(C(=O)[C@]1(C#N)CCNC1)c1ccc(-c2ccccc2)cc1	ZINC000591617771	398776693	/nfs/dbraw/zinc/77/66/93/398776693.db2.gz	ALRSWFKNHKPMED-IBGZPJMESA-N	0	3	305.381	2.820	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@]2(C#N)CCNC2)C1	ZINC000591640773	398778781	/nfs/dbraw/zinc/77/87/81/398778781.db2.gz	MVAOSFAQJLZRNR-QFBILLFUSA-N	0	3	311.429	2.710	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc(F)c1C#N	ZINC000598261952	398779361	/nfs/dbraw/zinc/77/93/61/398779361.db2.gz	JLEOYSQPNPWURS-CYBMUJFWSA-N	0	3	303.381	2.548	20	30		DFEDHN
Cc1cc(NC(=O)[C@]2(C#N)CCNC2)ccc1Oc1ccncc1	ZINC000591637911	398778046	/nfs/dbraw/zinc/77/80/46/398778046.db2.gz	BHXHNRUUSQXOJF-SFHVURJKSA-N	0	3	322.368	2.624	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)CCc1ccc(C#N)cc1	ZINC000598265902	398780668	/nfs/dbraw/zinc/78/06/68/398780668.db2.gz	VTABVMJMTFNFKS-INIZCTEOSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)CCc1ccc(C#N)cc1	ZINC000598265903	398780884	/nfs/dbraw/zinc/78/08/84/398780884.db2.gz	VTABVMJMTFNFKS-MRXNPFEDSA-N	0	3	313.445	2.727	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(C#N)cc1	ZINC000048367675	398782165	/nfs/dbraw/zinc/78/21/65/398782165.db2.gz	UHLARGRBABGLII-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COc1ccccc1	ZINC000591763903	398785599	/nfs/dbraw/zinc/78/55/99/398785599.db2.gz	QIMCJQUMHWJFAA-QFBILLFUSA-N	0	3	308.381	2.575	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COCc1ccccc1	ZINC000591763965	398785505	/nfs/dbraw/zinc/78/55/05/398785505.db2.gz	UHVKLBJWIOTJKR-QUCCMNQESA-N	0	3	322.408	2.713	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000591764444	398785637	/nfs/dbraw/zinc/78/56/37/398785637.db2.gz	UIALEESVOLXDIX-AEFFLSMTSA-N	0	3	314.429	2.725	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCCC[C@H]1C	ZINC000048981666	398789962	/nfs/dbraw/zinc/78/99/62/398789962.db2.gz	ANAUYUQIRYKJCO-CABCVRRESA-N	0	3	314.433	2.620	20	30		DFEDHN
CCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1	ZINC000594374020	398789227	/nfs/dbraw/zinc/78/92/27/398789227.db2.gz	LIHNYRYZMRHEGB-QAPCUYQASA-N	0	3	313.445	2.680	20	30		DFEDHN
N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccn1	ZINC000049457241	398795398	/nfs/dbraw/zinc/79/53/98/398795398.db2.gz	LRTDDDXEKDGYQX-GFCCVEGCSA-N	0	3	306.281	2.961	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000049612122	398796181	/nfs/dbraw/zinc/79/61/81/398796181.db2.gz	NHMZGXOQNOEBJJ-GOSISDBHSA-N	0	3	307.397	2.785	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594425513	398797910	/nfs/dbraw/zinc/79/79/10/398797910.db2.gz	KENCZDSNPMDQTK-IRXDYDNUSA-N	0	3	315.417	2.770	20	30		DFEDHN
CC(C)c1ccc(OCCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594427757	398798632	/nfs/dbraw/zinc/79/86/32/398798632.db2.gz	JEHZEIFHLKICFL-QGZVFWFLSA-N	0	3	317.433	2.716	20	30		DFEDHN
CC(C)OCc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594426026	398798141	/nfs/dbraw/zinc/79/81/41/398798141.db2.gz	CABOFIXLMDRIND-QGZVFWFLSA-N	0	3	317.433	2.639	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccccc1OC(F)(F)F	ZINC000594430287	398799461	/nfs/dbraw/zinc/79/94/61/398799461.db2.gz	YRLCMOUKPSWQHR-JTQLQIEISA-N	0	3	315.295	2.935	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000594430207	398799433	/nfs/dbraw/zinc/79/94/33/398799433.db2.gz	WXQZDBYSPRBRTJ-GFCCVEGCSA-N	0	3	315.295	2.935	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccccc1OC(F)(F)F	ZINC000594430288	398799790	/nfs/dbraw/zinc/79/97/90/398799790.db2.gz	YRLCMOUKPSWQHR-SNVBAGLBSA-N	0	3	315.295	2.935	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)ccc1F	ZINC000594433183	398800317	/nfs/dbraw/zinc/80/03/17/398800317.db2.gz	MBIUUUARCRQNDQ-LSDHHAIUSA-N	0	3	309.360	2.943	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl	ZINC000594432033	398800565	/nfs/dbraw/zinc/80/05/65/398800565.db2.gz	VRAIXTDWZWBZSH-LSDHHAIUSA-N	0	3	305.809	2.855	20	30		DFEDHN
CC1(C)Cc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2O1	ZINC000594433299	398800453	/nfs/dbraw/zinc/80/04/53/398800453.db2.gz	NLBJQHYUSGWONJ-AWEZNQCLSA-N	0	3	301.390	2.750	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1-c1ncco1	ZINC000594433047	398800498	/nfs/dbraw/zinc/80/04/98/398800498.db2.gz	JZLOCPMNNRJBGU-OAHLLOKOSA-N	0	3	312.373	3.000	20	30		DFEDHN
CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](C)C#N	ZINC000598363889	398800522	/nfs/dbraw/zinc/80/05/22/398800522.db2.gz	VZHCFZGLBXHVLS-IJLUTSLNSA-N	0	3	319.371	2.656	20	30		DFEDHN
CC(C)COc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594432028	398800536	/nfs/dbraw/zinc/80/05/36/398800536.db2.gz	VOHWXRDWJKGGHP-KRWDZBQOSA-N	0	3	317.433	2.749	20	30		DFEDHN
Cc1ccc(C[C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594435636	398801259	/nfs/dbraw/zinc/80/12/59/398801259.db2.gz	DUFZKVJAOIJAEC-QZTJIDSGSA-N	0	3	313.445	2.940	20	30		DFEDHN
C[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594435047	398801354	/nfs/dbraw/zinc/80/13/54/398801354.db2.gz	ZQLSKPNQVQOLPG-XHDPSFHLSA-N	0	3	309.360	2.596	20	30		DFEDHN
Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594435637	398801525	/nfs/dbraw/zinc/80/15/25/398801525.db2.gz	DUFZKVJAOIJAEC-ROUUACIJSA-N	0	3	313.445	2.940	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1	ZINC000594436801	398802335	/nfs/dbraw/zinc/80/23/35/398802335.db2.gz	JHEVEYWRTPZHBQ-SJORKVTESA-N	0	3	314.433	2.501	20	30		DFEDHN
Cc1nc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cs1	ZINC000594438791	398802591	/nfs/dbraw/zinc/80/25/91/398802591.db2.gz	XDARWHBEJUHKGH-JSGCOSHPSA-N	0	3	306.435	2.526	20	30		DFEDHN
Cc1c(NC(=O)[C@H](N)CCCCC#N)cnn1-c1ccccc1	ZINC000594438841	398802643	/nfs/dbraw/zinc/80/26/43/398802643.db2.gz	XLLABDMXJLCGSM-OAHLLOKOSA-N	0	3	311.389	2.531	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000594441633	398802840	/nfs/dbraw/zinc/80/28/40/398802840.db2.gz	UAPHVDBQITZSOH-MRXNPFEDSA-N	0	3	300.406	2.637	20	30		DFEDHN
Cc1[nH]c2ccccc2c1CCNC(=O)[C@H](N)CCCCC#N	ZINC000594439277	398803281	/nfs/dbraw/zinc/80/32/81/398803281.db2.gz	PABNPJWMMPCNNJ-MRXNPFEDSA-N	0	3	312.417	2.546	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1CCC(C(F)(F)F)CC1	ZINC000594443485	398804026	/nfs/dbraw/zinc/80/40/26/398804026.db2.gz	IGZVMSAVZITZFT-WXRRBKDZSA-N	0	3	319.371	2.883	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@H](N)CCCCC#N	ZINC000594445106	398804753	/nfs/dbraw/zinc/80/47/53/398804753.db2.gz	PDHSMKDUTSOAJM-JLZZUVOBSA-N	0	3	317.408	2.977	20	30		DFEDHN
Cc1ccnc(-c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)n1	ZINC000594448084	398805307	/nfs/dbraw/zinc/80/53/07/398805307.db2.gz	ZXHDABPETATYBG-MRXNPFEDSA-N	0	3	323.400	2.802	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCOC[C@H]2CCOC2)cc1	ZINC000594502218	398811441	/nfs/dbraw/zinc/81/14/41/398811441.db2.gz	KIUZJDQKOPQXLU-INIZCTEOSA-N	0	3	302.418	2.630	20	30		DFEDHN
Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000594506083	398811879	/nfs/dbraw/zinc/81/18/79/398811879.db2.gz	LQGKARUKGVHCIR-WMZOPIPTSA-N	0	3	324.428	2.841	20	30		DFEDHN
CC1(C)OCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598454732	398816011	/nfs/dbraw/zinc/81/60/11/398816011.db2.gz	OAJFDXPHFQQODS-HZPDHXFCSA-N	0	3	300.402	2.690	20	30		DFEDHN
CC1(C)OCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598454729	398816024	/nfs/dbraw/zinc/81/60/24/398816024.db2.gz	OAJFDXPHFQQODS-CVEARBPZSA-N	0	3	300.402	2.690	20	30		DFEDHN
C=CCCCN1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000075861978	398825864	/nfs/dbraw/zinc/82/58/64/398825864.db2.gz	BJDNLMZYYLKAPZ-OAHLLOKOSA-N	0	3	322.453	2.641	20	30		DFEDHN
N#Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-]	ZINC000594603886	398829617	/nfs/dbraw/zinc/82/96/17/398829617.db2.gz	WHXYGORVXHIVRJ-HOCLYGCPSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CCC(C)(C)C2)c(OC)c1	ZINC000076015249	398834069	/nfs/dbraw/zinc/83/40/69/398834069.db2.gz	GONDWYVYROFFOO-MRXNPFEDSA-N	0	3	319.445	2.895	20	30		DFEDHN
COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)CCCCC#N	ZINC000594624747	398834619	/nfs/dbraw/zinc/83/46/19/398834619.db2.gz	AUQRJERJSRQVOJ-YJBOKZPZSA-N	0	3	315.417	2.770	20	30		DFEDHN
N#Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)[nH]1	ZINC000152492157	283326309	/nfs/dbraw/zinc/32/63/09/283326309.db2.gz	YVHMOYKDUXMMAR-UHFFFAOYSA-N	0	3	322.412	2.802	20	30		DFEDHN
CCN(Cc1ccc(OC)cc1OC)C[C@H](O)CC(C)(C)C#N	ZINC000598586351	398836020	/nfs/dbraw/zinc/83/60/20/398836020.db2.gz	GLMTXGNVSSTFRW-OAHLLOKOSA-N	0	3	320.433	2.826	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NCc1cccnc1)c1ccccc1	ZINC000180037730	199110241	/nfs/dbraw/zinc/11/02/41/199110241.db2.gz	PVJOWEZKXJGVOI-SFHVURJKSA-N	0	3	309.413	2.995	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@H](Oc2ccccc2)C1	ZINC000598591890	398837526	/nfs/dbraw/zinc/83/75/26/398837526.db2.gz	FAGVKNHELPPJAM-RDJZCZTQSA-N	0	3	302.418	2.831	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000598591258	398837981	/nfs/dbraw/zinc/83/79/81/398837981.db2.gz	XPNOTTJZWPXEOP-LSDHHAIUSA-N	0	3	316.401	2.853	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)Nc1cc(C)nn1C)c1ccccc1	ZINC000180049946	199112274	/nfs/dbraw/zinc/11/22/74/199112274.db2.gz	WJERWEFJAMAKRL-MRXNPFEDSA-N	0	3	312.417	2.964	20	30		DFEDHN
CC(=O)Nc1cccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c1	ZINC000598603737	398840053	/nfs/dbraw/zinc/84/00/53/398840053.db2.gz	ZROLKMDJTKEPLP-BLLLJJGKSA-N	0	3	303.406	2.596	20	30		DFEDHN
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)CC(C)(C)C#N	ZINC000598596467	398838753	/nfs/dbraw/zinc/83/87/53/398838753.db2.gz	RUXBNYJIBUCVOM-QCPUYCGNSA-N	0	3	322.474	2.718	20	30		DFEDHN
COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000598599862	398838977	/nfs/dbraw/zinc/83/89/77/398838977.db2.gz	ACGOHXQGVRSEBF-WFASDCNBSA-N	0	3	312.360	2.543	20	30		DFEDHN
COC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180139721	199121910	/nfs/dbraw/zinc/12/19/10/199121910.db2.gz	CPYVZIFHUYUKRA-INIZCTEOSA-N	0	3	324.428	2.817	20	30		DFEDHN
COc1ccc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)nc1	ZINC000598622915	398842829	/nfs/dbraw/zinc/84/28/29/398842829.db2.gz	PDTOKDCPSFBXOD-OAHLLOKOSA-N	0	3	317.433	2.570	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598622382	398842907	/nfs/dbraw/zinc/84/29/07/398842907.db2.gz	JKMGSAMEULTLNB-CABCVRRESA-N	0	3	324.465	2.873	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2OC(C)(C)C1	ZINC000598616615	398841927	/nfs/dbraw/zinc/84/19/27/398841927.db2.gz	NMMOLLKCYJIYCY-HNNXBMFYSA-N	0	3	302.418	2.960	20	30		DFEDHN
COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598617464	398842153	/nfs/dbraw/zinc/84/21/53/398842153.db2.gz	RRUKXGNEXILATB-LSDHHAIUSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1cccs1)C(C)(C)CO	ZINC000598616196	398842264	/nfs/dbraw/zinc/84/22/64/398842264.db2.gz	KFWDLEFZIUTEGJ-JSGCOSHPSA-N	0	3	310.463	2.698	20	30		DFEDHN
C=CCSCCNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180172105	199126181	/nfs/dbraw/zinc/12/61/81/199126181.db2.gz	RXUYYMOBURPJOO-UHFFFAOYSA-N	0	3	312.442	2.968	20	30		DFEDHN
COc1cc(CCCNCc2ccc(C#N)o2)cc(OC)c1O	ZINC000598650553	398848348	/nfs/dbraw/zinc/84/83/48/398848348.db2.gz	UJLUCZZJBUJZSF-UHFFFAOYSA-N	0	3	316.357	2.596	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2ccc(F)cc21	ZINC000598699912	398857822	/nfs/dbraw/zinc/85/78/22/398857822.db2.gz	JICYWVJHKCCZJN-DZGCQCFKSA-N	0	3	306.381	2.930	20	30		DFEDHN
C#CCCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000180450003	199160533	/nfs/dbraw/zinc/16/05/33/199160533.db2.gz	GAMPPDXBRZYCJA-MRXNPFEDSA-N	0	3	313.445	2.917	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OCC1CC1	ZINC000598721903	398861756	/nfs/dbraw/zinc/86/17/56/398861756.db2.gz	XTPNFQOEJPPMEZ-MRXNPFEDSA-N	0	3	302.418	2.866	20	30		DFEDHN
COc1c(CNC[C@H](O)CC(C)(C)C#N)oc2ccccc21	ZINC000598725238	398862270	/nfs/dbraw/zinc/86/22/70/398862270.db2.gz	WJZIHECRHNSXIT-GFCCVEGCSA-N	0	3	302.374	2.832	20	30		DFEDHN
COc1c(CNC[C@@H](O)CC(C)(C)C#N)oc2ccccc21	ZINC000598725239	398862376	/nfs/dbraw/zinc/86/23/76/398862376.db2.gz	WJZIHECRHNSXIT-LBPRGKRZSA-N	0	3	302.374	2.832	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598726541	398862805	/nfs/dbraw/zinc/86/28/05/398862805.db2.gz	TUCQARSNNZMRLG-KKUMJFAQSA-N	0	3	307.438	2.599	20	30		DFEDHN
COc1cc2c(cc1F)CC[C@@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598728404	398863187	/nfs/dbraw/zinc/86/31/87/398863187.db2.gz	RUVDUEYHMHRCIF-DOMZBBRYSA-N	0	3	306.381	2.712	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CN(C)CCO2)cc1	ZINC000180487175	199165053	/nfs/dbraw/zinc/16/50/53/199165053.db2.gz	ZZAZNFODFXJKIH-PBHICJAKSA-N	0	3	324.852	2.799	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1cccc(C#N)c1	ZINC000076800088	398870030	/nfs/dbraw/zinc/87/00/30/398870030.db2.gz	KLGJUCVKXWWSHD-AWEZNQCLSA-N	0	3	314.433	2.602	20	30		DFEDHN
CC(C)(C)N1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CC1=O	ZINC000594942116	398877448	/nfs/dbraw/zinc/87/74/48/398877448.db2.gz	WUXYSBUWGUBIFL-INIZCTEOSA-N	0	3	311.429	2.731	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000139912366	398886651	/nfs/dbraw/zinc/88/66/51/398886651.db2.gz	FDTCQTSDDHRXMP-OAHLLOKOSA-N	0	3	322.474	2.669	20	30		DFEDHN
COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1	ZINC000595069104	398902153	/nfs/dbraw/zinc/90/21/53/398902153.db2.gz	MASSARMNTRFJSN-PXAZEXFGSA-N	0	3	306.381	2.790	20	30		DFEDHN
CC[C@H](NCC1(S(=O)(=O)CC)CC1)c1ccc(C#N)cc1	ZINC000595103520	398906339	/nfs/dbraw/zinc/90/63/39/398906339.db2.gz	OCTZHOOMEWKJNC-HNNXBMFYSA-N	0	3	306.431	2.566	20	30		DFEDHN
C[C@H](NC(=O)c1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000187207510	200076806	/nfs/dbraw/zinc/07/68/06/200076806.db2.gz	VSRKXUQCICLVOM-KBXCAEBGSA-N	0	3	307.397	2.979	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc2ccn(C(F)F)c2c1	ZINC000595255426	398913630	/nfs/dbraw/zinc/91/36/30/398913630.db2.gz	VFWAMLUJSHBZTJ-LBPRGKRZSA-N	0	3	306.316	2.996	20	30		DFEDHN
C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000147743111	398913305	/nfs/dbraw/zinc/91/33/05/398913305.db2.gz	ICEFEFVQNHBRSR-DZGCQCFKSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H](c2cccs2)N2CCCC2)n1	ZINC000281058271	216051669	/nfs/dbraw/zinc/05/16/69/216051669.db2.gz	YICYFZKJHVXPER-CQSZACIVSA-N	0	3	313.430	2.967	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@](C)(C#N)C2)cc1	ZINC000595266515	398914659	/nfs/dbraw/zinc/91/46/59/398914659.db2.gz	ADRPSNVCCLEKTA-WMZOPIPTSA-N	0	3	314.433	2.755	20	30		DFEDHN
CC(C)N(CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595296485	398917804	/nfs/dbraw/zinc/91/78/04/398917804.db2.gz	DVESBUBLXSGPBG-CALCHBBNSA-N	0	3	315.461	2.878	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(CN2CCOCC2)CC1	ZINC000188185574	200205748	/nfs/dbraw/zinc/20/57/48/200205748.db2.gz	IDXTUWJYFUHKQI-INIZCTEOSA-N	0	3	313.445	2.663	20	30		DFEDHN
Cc1noc([C@@H]2OCC[C@@H]2N[C@@H]2CCCc3cc(C#N)ccc32)n1	ZINC000599094193	398920831	/nfs/dbraw/zinc/92/08/31/398920831.db2.gz	ZSZHKGLQTMCJEL-IXDOHACOSA-N	0	3	324.384	2.747	20	30		DFEDHN
CC(C)N1CCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000191773335	283493127	/nfs/dbraw/zinc/49/31/27/283493127.db2.gz	XBCTYMFUIWTPMX-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1	ZINC000599144515	398928174	/nfs/dbraw/zinc/92/81/74/398928174.db2.gz	VYKDKJGZVXVUFT-RDJZCZTQSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#Cc1cccc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-]	ZINC000599163993	398931782	/nfs/dbraw/zinc/93/17/82/398931782.db2.gz	HBVXWVYBNRTVIR-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@@H](CO)[C@@H](C)NCc1cccc(OCCCC#N)c1	ZINC000152489474	398931790	/nfs/dbraw/zinc/93/17/90/398931790.db2.gz	IJBRJVQNGTZHJU-CJNGLKHVSA-N	0	3	308.447	2.571	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCCC1	ZINC000599165735	398932437	/nfs/dbraw/zinc/93/24/37/398932437.db2.gz	RQUQVQWFMJLSSA-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
CCOC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C	ZINC000189795235	200452997	/nfs/dbraw/zinc/45/29/97/200452997.db2.gz	DBJJDUOXFFSCRZ-CJNGLKHVSA-N	0	3	303.406	2.536	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000595448368	398940480	/nfs/dbraw/zinc/94/04/80/398940480.db2.gz	JNPBVJHDRJKFTP-PMPSAXMXSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@H](c1cccs1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599263126	398944019	/nfs/dbraw/zinc/94/40/19/398944019.db2.gz	CMULEWCDHXMPJM-ZIAGYGMSSA-N	0	3	308.447	2.812	20	30		DFEDHN
CCO[C@@H](CN(CCOC)Cc1ccc(C#N)cc1)C1CC1	ZINC000599271370	398946000	/nfs/dbraw/zinc/94/60/00/398946000.db2.gz	KLHPPABQZAVSQW-SFHVURJKSA-N	0	3	302.418	2.822	20	30		DFEDHN
N#Cc1ccc(CN(CCOC2CCOCC2)C2CC2)cc1	ZINC000599271224	398946043	/nfs/dbraw/zinc/94/60/43/398946043.db2.gz	CUSSZOYFTUXHRL-UHFFFAOYSA-N	0	3	300.402	2.718	20	30		DFEDHN
CNC(=O)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595476831	398946177	/nfs/dbraw/zinc/94/61/77/398946177.db2.gz	SVMCQTRFBRUSPV-GOSISDBHSA-N	0	3	307.397	2.568	20	30		DFEDHN
CNC(=O)C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595476832	398946206	/nfs/dbraw/zinc/94/62/06/398946206.db2.gz	SVMCQTRFBRUSPV-SFHVURJKSA-N	0	3	307.397	2.568	20	30		DFEDHN
C[C@@H]1C[C@]2(CCO1)CN(CCc1ccc(C#N)cc1)C[C@H](C)O2	ZINC000595476591	398946227	/nfs/dbraw/zinc/94/62/27/398946227.db2.gz	SCFWUDLPMUVMLO-JTDSTZFVSA-N	0	3	314.429	2.759	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCO[C@H](c3ccccc3)C2)CC1	ZINC000599285754	398948238	/nfs/dbraw/zinc/94/82/38/398948238.db2.gz	YDROPYARHQVRJY-SJORKVTESA-N	0	3	300.402	2.505	20	30		DFEDHN
Cc1nc(C2CCN(C[C@H](O)CC3(C#N)CC3)CC2)sc1C	ZINC000599279595	398947118	/nfs/dbraw/zinc/94/71/18/398947118.db2.gz	VLEAZBUNFASXMR-OAHLLOKOSA-N	0	3	319.474	2.994	20	30		DFEDHN
COCCCN1CCCN(c2cc(Cl)ccc2C#N)CC1	ZINC000078302248	398947751	/nfs/dbraw/zinc/94/77/51/398947751.db2.gz	HAQVJGGMAGANSS-UHFFFAOYSA-N	0	3	307.825	2.760	20	30		DFEDHN
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)n(C)c1	ZINC000191152358	200634655	/nfs/dbraw/zinc/63/46/55/200634655.db2.gz	XRXKXTIODDYACC-AWEZNQCLSA-N	0	3	320.400	2.670	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1	ZINC000595495826	398949515	/nfs/dbraw/zinc/94/95/15/398949515.db2.gz	TZZBMZYIZADLSV-FUHWJXTLSA-N	0	3	314.433	2.543	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)COCc2ccccc2)cc1C#N	ZINC000599292786	398948757	/nfs/dbraw/zinc/94/87/57/398948757.db2.gz	MYZFLRSWEOMEDK-FQEVSTJZSA-N	0	3	324.424	2.876	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000595507965	398953515	/nfs/dbraw/zinc/95/35/15/398953515.db2.gz	SIQAMEPEFGZGIF-HOTGVXAUSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC(C)Oc1cccc(CN(C)C[C@H](O)CC2(C#N)CC2)c1	ZINC000599338565	398956082	/nfs/dbraw/zinc/95/60/82/398956082.db2.gz	DHCXERVAQAOFDG-MRXNPFEDSA-N	0	3	302.418	2.960	20	30		DFEDHN
CC[C@@H](c1ccncc1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599337964	398956170	/nfs/dbraw/zinc/95/61/70/398956170.db2.gz	NLEJFEJOFGKWOO-SJORKVTESA-N	0	3	317.433	2.536	20	30		DFEDHN
C[C@@H](c1ccco1)N(C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599341017	398955998	/nfs/dbraw/zinc/95/59/98/398955998.db2.gz	JCBLXQXRZNSHGF-GOEBONIOSA-N	0	3	318.417	2.876	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)cc1F	ZINC000599345084	398957844	/nfs/dbraw/zinc/95/78/44/398957844.db2.gz	LTKFBQUGHCPAJO-GXTWGEPZSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(OC(F)F)c1	ZINC000599351290	398958521	/nfs/dbraw/zinc/95/85/21/398958521.db2.gz	XFZZYNOAPFECJA-AAEUAGOBSA-N	0	3	310.344	2.993	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1	ZINC000599365394	398964238	/nfs/dbraw/zinc/96/42/38/398964238.db2.gz	AYZYAYNGKCKVHC-OCCSQVGLSA-N	0	3	304.438	2.652	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)NCC1(C#N)CCCCC1	ZINC000595552529	398967841	/nfs/dbraw/zinc/96/78/41/398967841.db2.gz	MNAPWEHCDYOXCP-OAHLLOKOSA-N	0	3	308.470	2.736	20	30		DFEDHN
C[C@H](NC[C@]1(N(C)C)CCSC1)c1ccc(C#N)cc1F	ZINC000358578761	299322568	/nfs/dbraw/zinc/32/25/68/299322568.db2.gz	WOMOWORKJVHOQR-BLLLJJGKSA-N	0	3	307.438	2.785	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@H](CO)[C@@H](C)c1ccccc1	ZINC000613389389	398969208	/nfs/dbraw/zinc/96/92/08/398969208.db2.gz	MIWROAKCZOMBJP-KBXCAEBGSA-N	0	3	310.397	2.821	20	30		DFEDHN
Cc1ccc(CN(C)[C@@H](CC(N)=O)c2ccccc2)cc1C#N	ZINC000599390567	398971292	/nfs/dbraw/zinc/97/12/92/398971292.db2.gz	MYCGQSSUOKTUDH-SFHVURJKSA-N	0	3	307.397	2.915	20	30		DFEDHN
C[C@@H]1CN(CCNC2(c3ccc(C#N)cc3)CCC2)C[C@@H](C)O1	ZINC000595564040	398972913	/nfs/dbraw/zinc/97/29/13/398972913.db2.gz	YCHVCEAOBZXJRE-HZPDHXFCSA-N	0	3	313.445	2.636	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1C#N	ZINC000599395871	398972978	/nfs/dbraw/zinc/97/29/78/398972978.db2.gz	LEAIWPJPSPRXHD-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
COc1cc(CN[C@@H](CN(C)C)c2ccccc2)ccc1C#N	ZINC000281467588	216321606	/nfs/dbraw/zinc/32/16/06/216321606.db2.gz	BHABDUJJMPWMIK-SFHVURJKSA-N	0	3	309.413	2.959	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000595568238	398976773	/nfs/dbraw/zinc/97/67/73/398976773.db2.gz	UBPJECPFMVAGNH-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cncs1	ZINC000161688458	398978536	/nfs/dbraw/zinc/97/85/36/398978536.db2.gz	LCBIQOREUBLRJQ-GFCCVEGCSA-N	0	3	313.430	2.729	20	30		DFEDHN
CN(C)CCN(Cc1cnc(C2CC2)o1)Cc1ccc(C#N)cc1	ZINC000600160880	398979331	/nfs/dbraw/zinc/97/93/31/398979331.db2.gz	ICRUHKCKQWGIGB-UHFFFAOYSA-N	0	3	324.428	2.987	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@H](O)CC1(C#N)CC1	ZINC000599450561	398984979	/nfs/dbraw/zinc/98/49/79/398984979.db2.gz	JVNLDTKGEUIYOT-HUUCEWRRSA-N	0	3	322.449	2.627	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H](CO)Cc1ccccc1	ZINC000595596557	398990373	/nfs/dbraw/zinc/99/03/73/398990373.db2.gz	OKGGHZGHYAVFBW-GOSISDBHSA-N	0	3	310.397	2.602	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1	ZINC000595609030	398997571	/nfs/dbraw/zinc/99/75/71/398997571.db2.gz	FGYKOFSNSODTPJ-SJORKVTESA-N	0	3	302.418	2.669	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CCc1nccs1)C(C)C	ZINC000056969096	399004175	/nfs/dbraw/zinc/00/41/75/399004175.db2.gz	WEODPGYSKWIGLD-HNNXBMFYSA-N	0	3	321.490	2.891	20	30		DFEDHN
N#CC[C@@H]1CCCN(C/C=C\CN2CCC[C@@H](CC#N)C2)C1	ZINC000595620782	399005674	/nfs/dbraw/zinc/00/56/74/399005674.db2.gz	QSJKQLDZWMWVSF-QHNPVBQMSA-N	0	3	300.450	2.794	20	30		DFEDHN
COc1cccc(NC(=O)CCN2CCC[C@H](CC#N)C2)c1	ZINC000595621043	399005856	/nfs/dbraw/zinc/00/58/56/399005856.db2.gz	RMRICGRTELABCH-CQSZACIVSA-N	0	3	301.390	2.649	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1	ZINC000271818951	209242894	/nfs/dbraw/zinc/24/28/94/209242894.db2.gz	CCEJYLFSJQESED-GDIGMMSISA-N	0	3	310.397	2.693	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(C#N)cc1	ZINC000275514819	212386351	/nfs/dbraw/zinc/38/63/51/212386351.db2.gz	UBDOTQWIXDDNCI-AWEZNQCLSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1Cl	ZINC000282312227	334993863	/nfs/dbraw/zinc/99/38/63/334993863.db2.gz	KNQGVOPAVCFHMO-BXUZGUMPSA-N	0	3	308.809	2.662	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(C#N)s1	ZINC000275367023	212293957	/nfs/dbraw/zinc/29/39/57/212293957.db2.gz	WNZKOPFDEAOEGA-HOCLYGCPSA-N	0	3	316.430	2.590	20	30		DFEDHN
N#CC1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1	ZINC000595656137	399023555	/nfs/dbraw/zinc/02/35/55/399023555.db2.gz	OFSABKRDQVJFGG-JKSUJKDBSA-N	0	3	318.465	2.777	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC/C=C\CN[C@H]1CCCC[C@H]1C#N	ZINC000595687116	399035300	/nfs/dbraw/zinc/03/53/00/399035300.db2.gz	AFAQJJZBXFWCCF-VAMVTKTBSA-N	0	3	300.450	2.887	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000595695084	399039412	/nfs/dbraw/zinc/03/94/12/399039412.db2.gz	SHNUXPBKOMVBNS-CVEARBPZSA-N	0	3	305.466	2.943	20	30		DFEDHN
N#CC1(CCCN2CCc3c(O)cccc3C2)CCOCC1	ZINC000599645949	399042148	/nfs/dbraw/zinc/04/21/48/399042148.db2.gz	IEVIRMAEYKHWBL-UHFFFAOYSA-N	0	3	300.402	2.851	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CC2)CC1	ZINC000599673483	399055196	/nfs/dbraw/zinc/05/51/96/399055196.db2.gz	QLLGQUCHBBGZDN-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#Cc1ccc(-c2cc(N3CCN(CCC4CC4)CC3)n[nH]2)cc1	ZINC000595726603	399056904	/nfs/dbraw/zinc/05/69/04/399056904.db2.gz	QCKDHCOYNFABOD-UHFFFAOYSA-N	0	3	321.428	2.870	20	30		DFEDHN
COC(=O)[C@H]1CN(CCc2ccc(C#N)cc2)Cc2ccccc21	ZINC000599678039	399059063	/nfs/dbraw/zinc/05/90/63/399059063.db2.gz	IQLFEPWRQSLUIY-IBGZPJMESA-N	0	3	320.392	2.873	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000595739860	399064696	/nfs/dbraw/zinc/06/46/96/399064696.db2.gz	RDLQSZWYMIQQQA-NVXWUHKLSA-N	0	3	305.466	2.897	20	30		DFEDHN
C/C=C\C[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000599692783	399067589	/nfs/dbraw/zinc/06/75/89/399067589.db2.gz	XNJPDCYHNGWOTR-RXYHWBRQSA-N	0	3	311.429	2.853	20	30		DFEDHN
C#CC[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1	ZINC000271761079	209191012	/nfs/dbraw/zinc/19/10/12/209191012.db2.gz	ZNMKPMMVXOEGHC-PKOBYXMFSA-N	0	3	313.372	2.920	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](c1ccccc1F)C1CCCC1	ZINC000271776057	209204765	/nfs/dbraw/zinc/20/47/65/209204765.db2.gz	UWXNARVQIDQOSU-GOSISDBHSA-N	0	3	302.393	2.786	20	30		DFEDHN
C=CCNC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000092207845	193173703	/nfs/dbraw/zinc/17/37/03/193173703.db2.gz	YBEMGTTYADJCMN-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000275203415	212192116	/nfs/dbraw/zinc/19/21/16/212192116.db2.gz	IJHVNYOUNPENCG-KBPBESRZSA-N	0	3	321.446	2.722	20	30		DFEDHN
CC(C)CC1(N[C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000595829976	399102914	/nfs/dbraw/zinc/10/29/14/399102914.db2.gz	BZNKUBGXKQKKNX-CYBMUJFWSA-N	0	3	303.431	2.893	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(c2ccncc2)CC1	ZINC000191671718	335007529	/nfs/dbraw/zinc/00/75/29/335007529.db2.gz	PNGUOHQEKVUVNQ-INIZCTEOSA-N	0	3	313.445	2.850	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H](C3CCC3)C2)CCCCC1	ZINC000595833745	399105819	/nfs/dbraw/zinc/10/58/19/399105819.db2.gz	LUEDYJATXJLPNQ-MRXNPFEDSA-N	0	3	303.450	2.841	20	30		DFEDHN
C[C@H](CCN1CC[C@@](C)(C#N)C1)CCN1CC[C@](C)(C#N)C1	ZINC000595841830	399109112	/nfs/dbraw/zinc/10/91/12/399109112.db2.gz	ORNHLSKVVUPUOK-BCDXTJNWSA-N	0	3	302.466	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@]2(C)CCc3ccccc3C2)CC1	ZINC000080079419	399115667	/nfs/dbraw/zinc/11/56/67/399115667.db2.gz	HGOFXMBVOLJPKL-FQEVSTJZSA-N	0	3	312.457	2.948	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1CC1CCC1)C1CC1	ZINC000595866428	399117235	/nfs/dbraw/zinc/11/72/35/399117235.db2.gz	GYIXPYXMPSWMGI-SJLPKXTDSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CCc2ccccc21	ZINC000595878367	399120816	/nfs/dbraw/zinc/12/08/16/399120816.db2.gz	NPBAGXQQZNKCPE-ZBFHGGJFSA-N	0	3	311.429	2.599	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1	ZINC000600720444	399124363	/nfs/dbraw/zinc/12/43/63/399124363.db2.gz	PQIYYLXPJCDEGI-BBWFWOEESA-N	0	3	318.392	2.690	20	30		DFEDHN
CO[C@@H](CNC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000600730909	399127779	/nfs/dbraw/zinc/12/77/79/399127779.db2.gz	SVZONDGKXLRDHJ-CABCVRRESA-N	0	3	308.809	2.672	20	30		DFEDHN
C[C@H]1C[C@H](Nc2nccnc2C#N)CCN1Cc1ccccc1	ZINC000080231200	399128768	/nfs/dbraw/zinc/12/87/68/399128768.db2.gz	GLIKVCCVBDQXIC-GOEBONIOSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(C(CC)CC)c2C)CC1	ZINC000179312652	399128901	/nfs/dbraw/zinc/12/89/01/399128901.db2.gz	GQKTXWINIBVFKZ-UHFFFAOYSA-N	0	3	318.465	2.933	20	30		DFEDHN
N#Cc1cccc(C2(NCc3cccc(N)c3)CCOCC2)c1	ZINC000595911225	399131628	/nfs/dbraw/zinc/13/16/28/399131628.db2.gz	TXRHLRBZFCHBGP-UHFFFAOYSA-N	0	3	307.397	2.936	20	30		DFEDHN
N#CCNC(=O)CN[C@H](CCc1ccccc1)c1ccccc1	ZINC000180385268	399132934	/nfs/dbraw/zinc/13/29/34/399132934.db2.gz	UNJHMJYYUYOMDC-GOSISDBHSA-N	0	3	307.397	2.590	20	30		DFEDHN
CC12CC(C1)CN2CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000595915191	399135597	/nfs/dbraw/zinc/13/55/97/399135597.db2.gz	LFAHREVYLSHQPM-UHFFFAOYSA-N	0	3	315.442	2.921	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NCCN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000274915109	212030334	/nfs/dbraw/zinc/03/03/34/212030334.db2.gz	IFCFGSRZOMGEMP-INIZCTEOSA-N	0	3	323.387	2.975	20	30		DFEDHN
CC(C)(C(=O)NCCc1ccc(C#N)cc1)[C@H](N)c1ccccc1	ZINC000595939044	399139193	/nfs/dbraw/zinc/13/91/93/399139193.db2.gz	UKNQKUCZPUKXMV-GOSISDBHSA-N	0	3	321.424	2.943	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600781244	399144426	/nfs/dbraw/zinc/14/44/26/399144426.db2.gz	CGWIVWPRNWWUHS-SFHVURJKSA-N	0	3	311.429	2.512	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000607155165	399145387	/nfs/dbraw/zinc/14/53/87/399145387.db2.gz	NURRXMBKAUSSBL-KBAYOESNSA-N	0	3	322.493	2.937	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000264472839	203947354	/nfs/dbraw/zinc/94/73/54/203947354.db2.gz	NZPMABRDTMCUSO-JHJVBQTASA-N	0	3	317.393	2.640	20	30		DFEDHN
CN(C(=O)CCNCCOc1ccc(C#N)cc1)c1ccccc1	ZINC000596060819	399158770	/nfs/dbraw/zinc/15/87/70/399158770.db2.gz	JZFIDCUMVVHAHK-UHFFFAOYSA-N	0	3	323.396	2.580	20	30		DFEDHN
Cc1cc(NCCN2CCC[C@H](C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596076883	399164789	/nfs/dbraw/zinc/16/47/89/399164789.db2.gz	RCGFPZIGIQBGIK-LBPRGKRZSA-N	0	3	302.378	2.919	20	30		DFEDHN
CN1CCN(Cc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)CC1	ZINC000618572244	399164149	/nfs/dbraw/zinc/16/41/49/399164149.db2.gz	XZOSLYWTFKYUFF-IEBWSBKVSA-N	0	3	312.461	2.928	20	30		DFEDHN
Cc1ccccc1C1(O)CCN(CCCSCC#N)CC1	ZINC000080629509	399165118	/nfs/dbraw/zinc/16/51/18/399165118.db2.gz	MALQNUHJXBAAEW-UHFFFAOYSA-N	0	3	304.459	2.925	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000614167517	399168194	/nfs/dbraw/zinc/16/81/94/399168194.db2.gz	RWDDAMOSCBDLEH-KRWDZBQOSA-N	0	3	323.444	2.991	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC(C)CC1	ZINC000062428499	399170777	/nfs/dbraw/zinc/17/07/77/399170777.db2.gz	HWOBRGDOZNJGRG-AWEZNQCLSA-N	0	3	300.406	2.800	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCc2ccc(Cl)cc2C#N)[C@H](C)C1	ZINC000614204481	399174905	/nfs/dbraw/zinc/17/49/05/399174905.db2.gz	RLHCHZGRQDYKEF-BDJLRTHQSA-N	0	3	305.809	2.558	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(Cl)cc1	ZINC000282675791	217168257	/nfs/dbraw/zinc/16/82/57/217168257.db2.gz	AWAJEZJKXXYDKR-OAHLLOKOSA-N	0	3	316.792	2.572	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1c(C#N)cnn1C	ZINC000596155154	399194459	/nfs/dbraw/zinc/19/44/59/399194459.db2.gz	POXBCXFNPFHWTO-PBHICJAKSA-N	0	3	309.417	2.614	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1nc(C#N)c(Cl)s1	ZINC000596161933	399198063	/nfs/dbraw/zinc/19/80/63/399198063.db2.gz	ZREVMSFIHNYFQH-UHFFFAOYSA-N	0	3	310.810	2.829	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1	ZINC000081127218	399213391	/nfs/dbraw/zinc/21/33/91/399213391.db2.gz	UZGMCTZFPCJDBD-LJQANCHMSA-N	0	3	319.408	2.905	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(c2nnc3n2CCC3)CC1	ZINC000614397329	399224889	/nfs/dbraw/zinc/22/48/89/399224889.db2.gz	LMSIDSHBHCTZRU-UHFFFAOYSA-N	0	3	321.428	2.784	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000614400961	399226152	/nfs/dbraw/zinc/22/61/52/399226152.db2.gz	RYCARRLOPZWCSF-GOSISDBHSA-N	0	3	311.429	2.701	20	30		DFEDHN
CC(C)(C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000064521359	399227314	/nfs/dbraw/zinc/22/73/14/399227314.db2.gz	NQKPNLCKGWEOGP-CYBMUJFWSA-N	0	3	305.447	2.626	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)CCC(F)(F)F	ZINC000064635239	399228909	/nfs/dbraw/zinc/22/89/09/399228909.db2.gz	FRQGSDMKWHLLAW-UHFFFAOYSA-N	0	3	305.325	2.833	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1c1cc(C#N)nc(C2CC2)n1	ZINC000601125856	399234270	/nfs/dbraw/zinc/23/42/70/399234270.db2.gz	KPJDJBHSCGDWIE-JKSUJKDBSA-N	0	3	311.433	2.679	20	30		DFEDHN
N#Cc1cc(N2CCN(C3CCCCC3)CC2)nc(C2CC2)n1	ZINC000601131492	399236240	/nfs/dbraw/zinc/23/62/40/399236240.db2.gz	ZAYCKTKNLQYPLF-UHFFFAOYSA-N	0	3	311.433	2.680	20	30		DFEDHN
C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)s1	ZINC000601153949	399242302	/nfs/dbraw/zinc/24/23/02/399242302.db2.gz	VOJBETKKKHLZBB-MRXNPFEDSA-N	0	3	304.390	2.842	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CC[C@@H]1CCOC1)C(C)C	ZINC000267563869	206146601	/nfs/dbraw/zinc/14/66/01/206146601.db2.gz	HASZVNFQNVTYKI-SJORKVTESA-N	0	3	308.466	2.618	20	30		DFEDHN
CN(CCC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccncc1	ZINC000618891350	399253026	/nfs/dbraw/zinc/25/30/26/399253026.db2.gz	YQOCQSHVJGRISW-SFHVURJKSA-N	0	3	320.396	2.583	20	30		DFEDHN
C=CCC[C@@H](NCCCN(CC)S(C)(=O)=O)c1ccco1	ZINC000286263098	335031173	/nfs/dbraw/zinc/03/11/73/335031173.db2.gz	UYMHTHSQZRTJON-CQSZACIVSA-N	0	3	314.451	2.548	20	30		DFEDHN
C=C(C)CN1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1	ZINC000192574790	335034628	/nfs/dbraw/zinc/03/46/28/335034628.db2.gz	OFBDFSVIJGZSHB-UHFFFAOYSA-N	0	3	307.398	2.572	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H]2c2cccc(F)c2)CC1	ZINC000608438162	399263909	/nfs/dbraw/zinc/26/39/09/399263909.db2.gz	AEKZLBDUMNMGTR-QGZVFWFLSA-N	0	3	317.408	2.933	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN1CCC(C)CC1	ZINC000618994730	399274689	/nfs/dbraw/zinc/27/46/89/399274689.db2.gz	BBDCECBISFCFGV-GVDBMIGSSA-N	0	3	308.466	2.594	20	30		DFEDHN
CN(C(=O)C1(C#N)CC2(CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000601324787	399277953	/nfs/dbraw/zinc/27/79/53/399277953.db2.gz	ZUKOMWOUTPKAOD-QGZVFWFLSA-N	0	3	323.440	2.803	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1cccc(C#N)c1	ZINC000614997559	399289449	/nfs/dbraw/zinc/28/94/49/399289449.db2.gz	FOXHDFNJYDLMQM-AWEZNQCLSA-N	0	3	314.433	2.745	20	30		DFEDHN
CN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[C@@H]1C#N	ZINC000601564757	399301644	/nfs/dbraw/zinc/30/16/44/399301644.db2.gz	FRNMHGJIEDGGGB-ABAIWWIYSA-N	0	3	316.380	2.627	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000609163518	399307256	/nfs/dbraw/zinc/30/72/56/399307256.db2.gz	IIMNTYIVDCUWBM-HNNXBMFYSA-N	0	3	324.428	2.769	20	30		DFEDHN
CCN(Cc1ccoc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619283960	399324299	/nfs/dbraw/zinc/32/42/99/399324299.db2.gz	FXASUTSGJNQNDG-KRWDZBQOSA-N	0	3	307.353	2.882	20	30		DFEDHN
Cc1ccc(CCCN[C@@H](C(N)=O)c2ccc(C#N)cc2)c(C)c1	ZINC000609675844	399329519	/nfs/dbraw/zinc/32/95/19/399329519.db2.gz	RPDIIQMGIISHGG-LJQANCHMSA-N	0	3	321.424	2.924	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCC#Cc1ccccc1	ZINC000287077747	335040290	/nfs/dbraw/zinc/04/02/90/335040290.db2.gz	LNLODUWJYCRYSP-UHFFFAOYSA-N	0	3	313.445	2.556	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)C1CC1	ZINC000274118372	211372049	/nfs/dbraw/zinc/37/20/49/211372049.db2.gz	MMOXDGKQDLDTLP-MRXNPFEDSA-N	0	3	319.474	2.938	20	30		DFEDHN
CCn1nccc1CCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000284466982	218039207	/nfs/dbraw/zinc/03/92/07/218039207.db2.gz	SGIMZQYEEFDZDS-UHFFFAOYSA-N	0	3	324.428	2.861	20	30		DFEDHN
N#Cc1ccccc1N1CCN(CCCCCn2cccn2)CC1	ZINC000104682135	194026711	/nfs/dbraw/zinc/02/67/11/194026711.db2.gz	NJZJXGGCPXGCEB-UHFFFAOYSA-N	0	3	323.444	2.747	20	30		DFEDHN
CCOC(=O)CCCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104716446	194028721	/nfs/dbraw/zinc/02/87/21/194028721.db2.gz	PJJSVHLAUWHDRJ-UHFFFAOYSA-N	0	3	316.401	2.745	20	30		DFEDHN
N#CC1(CNC2CCN(C(=O)c3ccccc3Cl)CC2)CC1	ZINC000619535211	399358934	/nfs/dbraw/zinc/35/89/34/399358934.db2.gz	NACPNTHYWWFKQB-UHFFFAOYSA-N	0	3	317.820	2.838	20	30		DFEDHN
Cc1cnn([C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)c1	ZINC000105901563	194165178	/nfs/dbraw/zinc/16/51/78/194165178.db2.gz	BIEMRQVGISEBFZ-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
COc1cc(CN(CCO)CCc2ccccc2)ccc1C#N	ZINC000619674503	399374638	/nfs/dbraw/zinc/37/46/38/399374638.db2.gz	YEFWZLRRPLHCBU-UHFFFAOYSA-N	0	3	310.397	2.604	20	30		DFEDHN
COc1cc(CN2CCC[C@H](n3ccnc3C)C2)ccc1C#N	ZINC000619674413	399374789	/nfs/dbraw/zinc/37/47/89/399374789.db2.gz	IYVRHOQCKJLEHO-KRWDZBQOSA-N	0	3	310.401	2.909	20	30		DFEDHN
CCc1[nH]ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000285046366	218269565	/nfs/dbraw/zinc/26/95/65/218269565.db2.gz	HFGCAEXYTJLXIT-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
CCOC1CC(CN2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000285092326	218286581	/nfs/dbraw/zinc/28/65/81/218286581.db2.gz	GSXAYLZCKFVBDD-UHFFFAOYSA-N	0	3	317.408	2.634	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610576074	399381461	/nfs/dbraw/zinc/38/14/61/399381461.db2.gz	LDEXHJNGXLKEFO-CABCVRRESA-N	0	3	314.389	2.920	20	30		DFEDHN
C=CCSCCNC(=O)N1C[C@@H]2CCCCN2C[C@H]1CC	ZINC000610586054	399383965	/nfs/dbraw/zinc/38/39/65/399383965.db2.gz	JPNULQKHSSXSFN-CABCVRRESA-N	0	3	311.495	2.564	20	30		DFEDHN
CN(C)[C@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000285248697	218351312	/nfs/dbraw/zinc/35/13/12/218351312.db2.gz	ICWVMENPFCPABO-INIZCTEOSA-N	0	3	317.408	2.528	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccsc1	ZINC000619783260	399391551	/nfs/dbraw/zinc/39/15/51/399391551.db2.gz	PYDDCIFFNCEWNV-XJKSGUPXSA-N	0	3	316.426	2.905	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000610690383	399393899	/nfs/dbraw/zinc/39/38/99/399393899.db2.gz	HXCFDOKTNJFSMS-GDBMZVCRSA-N	0	3	324.428	2.623	20	30		DFEDHN
CN(CCCNCc1ccc(C#N)c(F)c1)CC(F)(F)F	ZINC000421335797	269686763	/nfs/dbraw/zinc/68/67/63/269686763.db2.gz	UNTRYLKPADSMOH-UHFFFAOYSA-N	0	3	303.303	2.671	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N1CCN(C2CCCCC2)CC1	ZINC000268860399	207029025	/nfs/dbraw/zinc/02/90/25/207029025.db2.gz	RGCHDSWASUPPST-UHFFFAOYSA-N	0	3	321.428	2.956	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000610722210	399398318	/nfs/dbraw/zinc/39/83/18/399398318.db2.gz	JEZQHZGQAHUCPQ-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)C1	ZINC000623494644	399401797	/nfs/dbraw/zinc/40/17/97/399401797.db2.gz	YFAIEAZRHXLXGL-INIZCTEOSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(C)c(Br)cn1	ZINC000623540281	399411668	/nfs/dbraw/zinc/41/16/68/399411668.db2.gz	SEPZGRJQRSYUGU-KGLIPLIRSA-N	0	3	311.223	2.976	20	30		DFEDHN
CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000602304373	399421595	/nfs/dbraw/zinc/42/15/95/399421595.db2.gz	XNBURQZMYYFHOE-VQIMIIECSA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(Cc1cccc(C#N)n1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000602439057	399444091	/nfs/dbraw/zinc/44/40/91/399444091.db2.gz	WYQDOGXCDWCJQZ-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](n2ccnc2C)C1	ZINC000611235557	399448637	/nfs/dbraw/zinc/44/86/37/399448637.db2.gz	IZFWHCYEVUAUFI-QGZVFWFLSA-N	0	3	310.401	2.909	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000602464672	399451279	/nfs/dbraw/zinc/45/12/79/399451279.db2.gz	GCICKOLIDYKAEI-MRXNPFEDSA-N	0	3	317.481	2.696	20	30		DFEDHN
C[C@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000602467662	399452278	/nfs/dbraw/zinc/45/22/78/399452278.db2.gz	HURXWUXHDMSQCI-CZUORRHYSA-N	0	3	303.381	2.803	20	30		DFEDHN
Cc1ccccc1CN1CCCN(Cc2cccc(C#N)n2)CC1	ZINC000602440896	399445109	/nfs/dbraw/zinc/44/51/09/399445109.db2.gz	MJVSTZLASALZJO-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
CCN1CCC[C@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1	ZINC000611370307	399466952	/nfs/dbraw/zinc/46/69/52/399466952.db2.gz	SUYADZIVFKIFRQ-LBPRGKRZSA-N	0	3	316.355	2.703	20	30		DFEDHN
CCN1CCC[C@@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1	ZINC000611370306	399466613	/nfs/dbraw/zinc/46/66/13/399466613.db2.gz	SUYADZIVFKIFRQ-GFCCVEGCSA-N	0	3	316.355	2.703	20	30		DFEDHN
CC[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000602533735	399469262	/nfs/dbraw/zinc/46/92/62/399469262.db2.gz	AZSGMVIQZDCVOH-SJORKVTESA-N	0	3	301.434	2.925	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H](CC1CC1)c1ccccc1)C1CC1	ZINC000611395455	399470174	/nfs/dbraw/zinc/47/01/74/399470174.db2.gz	BRBHXHUFYOZXGD-PKOBYXMFSA-N	0	3	311.429	2.926	20	30		DFEDHN
COC1CCN(C2(CNCc3ccc(C#N)o3)CCCC2)CC1	ZINC000344541087	269722495	/nfs/dbraw/zinc/72/24/95/269722495.db2.gz	ZEBBJMQRBOHAPN-UHFFFAOYSA-N	0	3	317.433	2.664	20	30		DFEDHN
COc1nc(C)cc(C)c1CN[C@@H](C)CC1(C#N)CCOCC1	ZINC000602535446	399470064	/nfs/dbraw/zinc/47/00/64/399470064.db2.gz	ZJQJDKLTBXVSIA-HNNXBMFYSA-N	0	3	317.433	2.896	20	30		DFEDHN
CC(C)CCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000065930091	184383196	/nfs/dbraw/zinc/38/31/96/184383196.db2.gz	NATXPAOCCFOAJM-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)CCNC1	ZINC000602586493	399484030	/nfs/dbraw/zinc/48/40/30/399484030.db2.gz	RSTAUVMOGHZJRV-WOJBJXKFSA-N	0	3	323.440	2.575	20	30		DFEDHN
N#CCCCNCc1ccc(I)s1	ZINC000602604029	399488061	/nfs/dbraw/zinc/48/80/61/399488061.db2.gz	GVNMJWUPRYXRIC-UHFFFAOYSA-N	0	3	306.172	2.746	20	30		DFEDHN
C[C@H](NC(=O)CCN(C)c1ccncc1)c1cccc(C#N)c1	ZINC000611528649	399488421	/nfs/dbraw/zinc/48/84/21/399488421.db2.gz	XSTYPLRTLQFBDP-AWEZNQCLSA-N	0	3	308.385	2.657	20	30		DFEDHN
CCOC(=O)[C@](C)(CNCc1cccc(C#N)n1)c1ccccc1	ZINC000602629668	399496760	/nfs/dbraw/zinc/49/67/60/399496760.db2.gz	IIRCWRIUMUXULA-LJQANCHMSA-N	0	3	323.396	2.564	20	30		DFEDHN
CCc1nnc2n1C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)CC2	ZINC000611590042	399497889	/nfs/dbraw/zinc/49/78/89/399497889.db2.gz	YTRRGHBXKZMDCX-YPMHNXCESA-N	0	3	313.380	2.517	20	30		DFEDHN
COC(=O)c1[nH]c(CN[C@H]2CCc3cc(C#N)ccc32)cc1C	ZINC000602639545	399499148	/nfs/dbraw/zinc/49/91/48/399499148.db2.gz	KEIWYJHIMKHVRD-INIZCTEOSA-N	0	3	309.369	2.759	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1F)C(C)C	ZINC000287749476	335047126	/nfs/dbraw/zinc/04/71/26/335047126.db2.gz	WWSKCDWQVFPHDJ-OAHLLOKOSA-N	0	3	305.397	2.649	20	30		DFEDHN
CCn1ccnc1[C@H](NC[C@H](C)CCC#N)C1CCOCC1	ZINC000602652826	399503777	/nfs/dbraw/zinc/50/37/77/399503777.db2.gz	ZLNKFNUUYFYGOB-GDBMZVCRSA-N	0	3	304.438	2.900	20	30		DFEDHN
N#CC1CCC(NCc2ccncc2OC[C@@H]2CCOC2)CC1	ZINC000602660930	399507401	/nfs/dbraw/zinc/50/74/01/399507401.db2.gz	BKTQQKMIROBMAU-ISXOHVOVSA-N	0	3	315.417	2.669	20	30		DFEDHN
CCn1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)c1	ZINC000616786211	399512524	/nfs/dbraw/zinc/51/25/24/399512524.db2.gz	PBPHXZQDHPQDSN-UHFFFAOYSA-N	0	3	310.401	2.840	20	30		DFEDHN
Cc1cccc2c1OC[C@@H](N[C@@H](C)CC1(C#N)CCOCC1)C2	ZINC000602678762	399516744	/nfs/dbraw/zinc/51/67/44/399516744.db2.gz	YQFFUJCJOJFYLE-RDJZCZTQSA-N	0	3	314.429	2.987	20	30		DFEDHN
CN1C(=O)C[C@@H](NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000120038076	195085124	/nfs/dbraw/zinc/08/51/24/195085124.db2.gz	IDOZHOFZKWPRKN-IEBWSBKVSA-N	0	3	323.371	2.759	20	30		DFEDHN
CCN(CCc1nccs1)C[C@H](O)c1ccc(C#N)cc1	ZINC000269960195	208012500	/nfs/dbraw/zinc/01/25/00/208012500.db2.gz	SLXXBWLZPBLWNE-HNNXBMFYSA-N	0	3	301.415	2.613	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cccc3cnccc32)CC1	ZINC000625323385	399520030	/nfs/dbraw/zinc/52/00/30/399520030.db2.gz	WGEVDQFRYJOAIX-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
CC(C)(C)OC(=O)C(C)(C)CCNCc1cccc(C#N)n1	ZINC000602695381	399524625	/nfs/dbraw/zinc/52/46/25/399524625.db2.gz	RVADARQLTVNDNL-UHFFFAOYSA-N	0	3	303.406	2.801	20	30		DFEDHN
N#CCc1ccc(CNCc2cccn(C(F)F)c2=O)cc1	ZINC000602699494	399526634	/nfs/dbraw/zinc/52/66/34/399526634.db2.gz	HBCBMFKYTAVJQF-UHFFFAOYSA-N	0	3	303.312	2.599	20	30		DFEDHN
N#Cc1cc(F)cc(NC2CCN(C[C@@H]3CCCO3)CC2)c1	ZINC000602725984	399541479	/nfs/dbraw/zinc/54/14/79/399541479.db2.gz	SLXVGOCMORKWQH-KRWDZBQOSA-N	0	3	303.381	2.753	20	30		DFEDHN
C=C(C)C[C@H](NC1CCN(CCC(F)(F)F)CC1)C(=O)OC	ZINC000602735883	399548330	/nfs/dbraw/zinc/54/83/30/399548330.db2.gz	ZNQTYEKRAZYHGH-ZDUSSCGKSA-N	0	3	322.371	2.501	20	30		DFEDHN
C=C(C)C[C@@H](NC1CCN(CCC(F)(F)F)CC1)C(=O)OC	ZINC000602735748	399547687	/nfs/dbraw/zinc/54/76/87/399547687.db2.gz	ZNQTYEKRAZYHGH-CYBMUJFWSA-N	0	3	322.371	2.501	20	30		DFEDHN
C=CCCCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C	ZINC000193553546	335049774	/nfs/dbraw/zinc/04/97/74/335049774.db2.gz	FGCFTHYRTOQGSO-GFCCVEGCSA-N	0	3	304.398	2.888	20	30		DFEDHN
C=CCCCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C	ZINC000193553546	335049775	/nfs/dbraw/zinc/04/97/75/335049775.db2.gz	FGCFTHYRTOQGSO-GFCCVEGCSA-N	0	3	304.398	2.888	20	30		DFEDHN
Cc1ccc(NC(=O)C2CCN(CC3(CC#N)CC3)CC2)nc1	ZINC000602791227	399575906	/nfs/dbraw/zinc/57/59/06/399575906.db2.gz	OFJOKMFYSFIXJP-UHFFFAOYSA-N	0	3	312.417	2.734	20	30		DFEDHN
Cc1cnc(CCN(C)C[C@H](O)c2ccc(C#N)cc2)s1	ZINC000157610325	197201786	/nfs/dbraw/zinc/20/17/86/197201786.db2.gz	GWYUVRAMKFKACY-HNNXBMFYSA-N	0	3	301.415	2.531	20	30		DFEDHN
CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(CC#N)cc1)CC2	ZINC000612080120	399574513	/nfs/dbraw/zinc/57/45/13/399574513.db2.gz	VQMWOYYOCYTVHS-ROUUACIJSA-N	0	3	314.429	2.505	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN(CC3(CC#N)CC3)CC2)s1	ZINC000602790085	399574752	/nfs/dbraw/zinc/57/47/52/399574752.db2.gz	ADKFKKQVPZVUSC-UHFFFAOYSA-N	0	3	317.458	2.945	20	30		DFEDHN
COCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(C)o1	ZINC000273316427	285171851	/nfs/dbraw/zinc/17/18/51/285171851.db2.gz	QYHZAWDXOACUGE-IRXDYDNUSA-N	0	3	314.385	2.861	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC[C@](C)(C#N)C2)c1	ZINC000612099051	399582370	/nfs/dbraw/zinc/58/23/70/399582370.db2.gz	JSFDAYLYCNULCY-GOSISDBHSA-N	0	3	314.433	2.583	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@H]1CCN(CC2(CC#N)CC2)C1	ZINC000602823021	399590652	/nfs/dbraw/zinc/59/06/52/399590652.db2.gz	UBNLWKGECAFYJA-OAHLLOKOSA-N	0	3	318.490	2.899	20	30		DFEDHN
C=C(C)CNC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000156665306	197131886	/nfs/dbraw/zinc/13/18/86/197131886.db2.gz	JHXFPBDFNOSERZ-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCCC(=O)N[C@@H](C)CC)cc1	ZINC000156524419	197119949	/nfs/dbraw/zinc/11/99/49/197119949.db2.gz	DCQPFVMEEGBDST-LSDHHAIUSA-N	0	3	302.418	2.654	20	30		DFEDHN
CC(CN1CCC[C@](C)(C#N)C1)CN1CCC[C@](C)(C#N)C1	ZINC000612167261	399597848	/nfs/dbraw/zinc/59/78/48/399597848.db2.gz	WXDYLIKWAWKBSX-QZTJIDSGSA-N	0	3	302.466	2.874	20	30		DFEDHN
C[C@H](CN1CCC[C@@](C)(C#N)C1)CN1CCC[C@](C)(C#N)C1	ZINC000612167255	399598089	/nfs/dbraw/zinc/59/80/89/399598089.db2.gz	WXDYLIKWAWKBSX-BCDXTJNWSA-N	0	3	302.466	2.874	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1	ZINC000625700553	399616040	/nfs/dbraw/zinc/61/60/40/399616040.db2.gz	KEXVIASFCAJCOI-KGLIPLIRSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C1	ZINC000625702604	399617090	/nfs/dbraw/zinc/61/70/90/399617090.db2.gz	ZSSFLAXJHVBYRJ-HNNXBMFYSA-N	0	3	302.418	2.977	20	30		DFEDHN
Cc1csc(CC2(O)CCN(CCC(C)(C)C#N)CC2)n1	ZINC000602894184	399618856	/nfs/dbraw/zinc/61/88/56/399618856.db2.gz	VWMBNAQAKUCETK-UHFFFAOYSA-N	0	3	307.463	2.761	20	30		DFEDHN
CN(C)C[C@H]1COC2(CCCC2)CN1Cc1cccc(C#N)c1	ZINC000602908601	399623453	/nfs/dbraw/zinc/62/34/53/399623453.db2.gz	XKLRPKDWXANJNN-SFHVURJKSA-N	0	3	313.445	2.633	20	30		DFEDHN
CC[C@@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000602924243	399629442	/nfs/dbraw/zinc/62/94/42/399629442.db2.gz	MOAQBYUOYBVHKL-MRXNPFEDSA-N	0	3	303.381	2.603	20	30		DFEDHN
N#CCSCCCN[C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924423	399629122	/nfs/dbraw/zinc/62/91/22/399629122.db2.gz	IGLWXONEFZZZAZ-CYBMUJFWSA-N	0	3	318.364	2.975	20	30		DFEDHN
Cn1cc(CNC[C@@]2(C)OCCc3sccc32)cc1C#N	ZINC000289809909	221240753	/nfs/dbraw/zinc/24/07/53/221240753.db2.gz	MWHIGQSRILYJFA-MRXNPFEDSA-N	0	3	301.415	2.536	20	30		DFEDHN
CC[C@@]1(CNCc2cc(C#N)n(C)c2)OCCc2ccccc21	ZINC000290016051	221382283	/nfs/dbraw/zinc/38/22/83/221382283.db2.gz	ZEKXAGOODOIBPF-IBGZPJMESA-N	0	3	309.413	2.865	20	30		DFEDHN
N#CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCCCC1	ZINC000602966970	399642212	/nfs/dbraw/zinc/64/22/12/399642212.db2.gz	XWSVXWDAAQVRCI-KRWDZBQOSA-N	0	3	303.381	2.676	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](O)[C@@H]2CCCC[C@@H]21	ZINC000602997036	399653539	/nfs/dbraw/zinc/65/35/39/399653539.db2.gz	BBYLVXCYZCEIIJ-IKGGRYGDSA-N	0	3	300.402	2.562	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000603075697	399673764	/nfs/dbraw/zinc/67/37/64/399673764.db2.gz	ZEZQXGWTHQDFTG-ABAIWWIYSA-N	0	3	304.369	2.548	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)NC[C@H]2CCN2C2CCCC2)c1	ZINC000603065881	399670309	/nfs/dbraw/zinc/67/03/09/399670309.db2.gz	NDQPRSGJAQTYLU-MRXNPFEDSA-N	0	3	316.380	2.836	20	30		DFEDHN
C[C@@H](CN(C)[C@@H]1CCC[C@@H]1C#N)CN(C)[C@H]1CCC[C@H]1C#N	ZINC000602979493	399648421	/nfs/dbraw/zinc/64/84/21/399648421.db2.gz	DUGBODCHRFBNHG-IJTOGUNISA-N	0	3	302.466	2.871	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603072768	399673138	/nfs/dbraw/zinc/67/31/38/399673138.db2.gz	KXTQZGMNJUOCJG-OAHLLOKOSA-N	0	3	304.369	2.645	20	30		DFEDHN
N#CC(CCN1C[C@H]2C[C@@]2(O)C1)(c1ccccc1)c1ccccc1	ZINC000603092710	399679291	/nfs/dbraw/zinc/67/92/91/399679291.db2.gz	YWUVSZBJBUMIMU-TZIWHRDSSA-N	0	3	318.420	2.953	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1	ZINC000625939059	399693336	/nfs/dbraw/zinc/69/33/36/399693336.db2.gz	JYMXGBZSBRLOJV-CQSZACIVSA-N	0	3	315.417	2.989	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1	ZINC000625939058	399693462	/nfs/dbraw/zinc/69/34/62/399693462.db2.gz	JYMXGBZSBRLOJV-AWEZNQCLSA-N	0	3	315.417	2.989	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCCN(c2ccncc2)CC1	ZINC000603081880	399676356	/nfs/dbraw/zinc/67/63/56/399676356.db2.gz	DTYXVGLRHRTVQA-UHFFFAOYSA-N	0	3	320.396	2.614	20	30		DFEDHN
C[C@H](CCC#N)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145089	399695392	/nfs/dbraw/zinc/69/53/92/399695392.db2.gz	MFLJTXZRKYNUMB-XBFCOCLRSA-N	0	3	300.324	2.803	20	30		DFEDHN
COCC#CCN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000625983531	399709467	/nfs/dbraw/zinc/70/94/67/399709467.db2.gz	SNVPCMQVYCDTGS-HNNXBMFYSA-N	0	3	315.244	2.836	20	30		DFEDHN
N#CCN1CCC(NCc2ccc(C(F)(F)F)s2)CC1	ZINC000617504615	399721093	/nfs/dbraw/zinc/72/10/93/399721093.db2.gz	WUPSXUPCVBHCBS-UHFFFAOYSA-N	0	3	303.353	2.844	20	30		DFEDHN
CC[C@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603250762	399723190	/nfs/dbraw/zinc/72/31/90/399723190.db2.gz	LOWNQSACOLXWKY-LBPRGKRZSA-N	0	3	309.295	2.627	20	30		DFEDHN
C#C[C@H](C)N[C@H](C)CC(=O)Nc1cccc(Br)c1	ZINC000289655427	335062375	/nfs/dbraw/zinc/06/23/75/335062375.db2.gz	YIEDGVFWTOQOHC-WDEREUQCSA-N	0	3	309.207	2.778	20	30		DFEDHN
N#Cc1cnn(-c2ccccc2)c1N1CC[C@@H](N2CCCCC2)C1	ZINC000603294705	399734609	/nfs/dbraw/zinc/73/46/09/399734609.db2.gz	GOCZNBQSLZVTIO-GOSISDBHSA-N	0	3	321.428	2.809	20	30		DFEDHN
Cc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000122011187	195390371	/nfs/dbraw/zinc/39/03/71/195390371.db2.gz	ORMCGSWPOKQRLD-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
N#Cc1cccc(OCCCN(CCO)Cc2ccccc2)c1	ZINC000122128477	195405630	/nfs/dbraw/zinc/40/56/30/195405630.db2.gz	AIMGGFODXUKAMY-UHFFFAOYSA-N	0	3	310.397	2.822	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cc(C#N)c(Br)cn2)CN1C1CC1	ZINC000603308092	399739291	/nfs/dbraw/zinc/73/92/91/399739291.db2.gz	GLUCGJOZBYXBIO-MWLCHTKSSA-N	0	3	321.222	2.753	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(OCCCO)CC2)c1	ZINC000131407494	542636657	/nfs/dbraw/zinc/63/66/57/542636657.db2.gz	YIUUWYNTKVWXAC-UHFFFAOYSA-N	0	3	305.418	2.615	20	30		DFEDHN
C=C(C)[C@H](NC[C@H](O)CN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000289573391	335064712	/nfs/dbraw/zinc/06/47/12/335064712.db2.gz	QQTLFNLWQQDHJR-YOEHRIQHSA-N	0	3	310.388	2.627	20	30		DFEDHN
CC(C)SCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000603669243	399796815	/nfs/dbraw/zinc/79/68/15/399796815.db2.gz	MXYBAQWDXQDUPM-UHFFFAOYSA-N	0	3	319.474	2.590	20	30		DFEDHN
COCC[C@H](Cc1ccco1)NCc1ccc(C#N)c(OC)c1	ZINC000440641611	269744757	/nfs/dbraw/zinc/74/47/57/269744757.db2.gz	VZEPNAKKTODWTR-MRXNPFEDSA-N	0	3	314.385	2.897	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	ZINC000289888260	335066862	/nfs/dbraw/zinc/06/68/62/335066862.db2.gz	SJTMNMKSRVJTEB-BMFZPTHFSA-N	0	3	323.408	2.971	20	30		DFEDHN
C=C[C@H](CO)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21	ZINC000289961525	335067611	/nfs/dbraw/zinc/06/76/11/335067611.db2.gz	WYAAVRSNRJJBTG-KCXAZCMYSA-N	0	3	318.417	2.834	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccccc2C)nn1	ZINC000290101870	335069074	/nfs/dbraw/zinc/06/90/74/335069074.db2.gz	KHSDOHKKYFFVDM-MAUKXSAKSA-N	0	3	312.417	2.647	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2C)nn1	ZINC000290101879	335069171	/nfs/dbraw/zinc/06/91/71/335069171.db2.gz	KHSDOHKKYFFVDM-YJBOKZPZSA-N	0	3	312.417	2.647	20	30		DFEDHN
C#C[C@@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)C(C)(C)C	ZINC000290129792	335069358	/nfs/dbraw/zinc/06/93/58/335069358.db2.gz	JMYOQOQDDSPIQC-MRXNPFEDSA-N	0	3	319.449	2.589	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H]([C@H](C)O)C2)ccc1OC	ZINC000272492140	542968062	/nfs/dbraw/zinc/96/80/62/542968062.db2.gz	DXSCWEYPZONLLL-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
N#Cc1cc(N[C@@H](CN2CCCCC2)c2ccccc2)ncn1	ZINC000617955628	399847901	/nfs/dbraw/zinc/84/79/01/399847901.db2.gz	RSBKNQIBSRWNAC-KRWDZBQOSA-N	0	3	307.401	2.987	20	30		DFEDHN
C=CC(C)(C)C(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000617974799	399854569	/nfs/dbraw/zinc/85/45/69/399854569.db2.gz	ZVPPQDUGNUELDJ-UHFFFAOYSA-N	0	3	301.434	2.622	20	30		DFEDHN
N#CCCCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000404180468	543313961	/nfs/dbraw/zinc/31/39/61/543313961.db2.gz	JCUXJVAFIYCACG-MOPGFXCFSA-N	0	3	313.445	2.656	20	30		DFEDHN
Cn1cc([C@@H]2CCN(CCCOc3ccc(C#N)cc3)C2)cn1	ZINC000172051883	145288822	/nfs/dbraw/zinc/28/88/22/145288822.db2.gz	AXHYFZPOZAZPPE-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
N#Cc1ccsc1C(=O)N[C@H]1CCN(CC2CCCC2)C1	ZINC000173267421	145338473	/nfs/dbraw/zinc/33/84/73/145338473.db2.gz	YXYLTHULKPGPAE-AWEZNQCLSA-N	0	3	303.431	2.614	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CC)C2CCN(C)CC2)cc1	ZINC000627616062	399946854	/nfs/dbraw/zinc/94/68/54/399946854.db2.gz	ZNANJPKJZRQWMQ-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=C1CC(C)(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000633618520	399925917	/nfs/dbraw/zinc/92/59/17/399925917.db2.gz	FCOLNYVGLVCCNG-UHFFFAOYSA-N	0	3	313.445	2.766	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)[C@H](C)C2)CC1	ZINC000633637678	399928525	/nfs/dbraw/zinc/92/85/25/399928525.db2.gz	UAUKAILQTYLCHA-CYBMUJFWSA-N	0	3	315.408	2.714	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@@H]1CCN1C1CCCCC1)OCC	ZINC000628544426	400039630	/nfs/dbraw/zinc/03/96/30/400039630.db2.gz	NAQLRCKYCIBBQC-DLBZAZTESA-N	0	3	308.466	2.881	20	30		DFEDHN
C=CCC1(CNCc2cn(C[C@H]3CCOC3)nn2)CCCC1	ZINC000631152866	399991504	/nfs/dbraw/zinc/99/15/04/399991504.db2.gz	MIHHOLOWXDKNRF-OAHLLOKOSA-N	0	3	304.438	2.541	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnn(CC)c1C)C(C)C	ZINC000631274886	400016405	/nfs/dbraw/zinc/01/64/05/400016405.db2.gz	VFHNLYXKTJXSAL-QGZVFWFLSA-N	0	3	318.465	2.640	20	30		DFEDHN
N#Cc1csc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1	ZINC000250057700	146210006	/nfs/dbraw/zinc/21/00/06/146210006.db2.gz	MSDFLBQDUBKEBE-ZFWWWQNUSA-N	0	3	304.440	2.889	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)CN(C)C	ZINC000354571720	147082809	/nfs/dbraw/zinc/08/28/09/147082809.db2.gz	FVIKZNIEWCWUFZ-JTQLQIEISA-N	0	3	301.415	2.761	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCCN1C	ZINC000354615645	147091824	/nfs/dbraw/zinc/09/18/24/147091824.db2.gz	QJDFHINJRZGPTF-LRDDRELGSA-N	0	3	317.408	2.574	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000575489722	543452461	/nfs/dbraw/zinc/45/24/61/543452461.db2.gz	NOOHFDUIJAGQMG-LNCBFAARSA-N	0	3	317.458	2.797	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C)C2(CCCCC2)C1	ZINC000576715178	543453914	/nfs/dbraw/zinc/45/39/14/543453914.db2.gz	JRYXFSUETUATSL-KRWDZBQOSA-N	0	3	321.509	2.750	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)nc1)N(C)C	ZINC000357876081	148159976	/nfs/dbraw/zinc/15/99/76/148159976.db2.gz	SJDPMMFYYDGPLC-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1ccncc1NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000361796669	149222329	/nfs/dbraw/zinc/22/23/29/149222329.db2.gz	HOAXPXVXISEQOT-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCCC2(CCOCC2)C1	ZINC000372759876	150180721	/nfs/dbraw/zinc/18/07/21/150180721.db2.gz	IFLLHSXMKAZBLS-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
COc1ccc2c(c1)[C@H](N)CCN2C(=O)c1ccc(C#N)cc1	ZINC000365486285	286426908	/nfs/dbraw/zinc/42/69/08/286426908.db2.gz	BDNAGRQVMDJBQP-MRXNPFEDSA-N	0	3	307.353	2.617	20	30		DFEDHN
C[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H]1n1ccnc1	ZINC000247301108	158127943	/nfs/dbraw/zinc/12/79/43/158127943.db2.gz	OZHJTAGDMIUYBV-NVXWUHKLSA-N	0	3	310.401	2.717	20	30		DFEDHN
C[C@@H](CN1CCN(c2cccc(C#N)n2)CC1)c1ccccc1	ZINC000355099134	158273957	/nfs/dbraw/zinc/27/39/57/158273957.db2.gz	MUYIYLXPPIUQDB-INIZCTEOSA-N	0	3	306.413	2.879	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cc2OC(F)F)CCN1C	ZINC000357005060	158345146	/nfs/dbraw/zinc/34/51/46/158345146.db2.gz	QRQBCRWYBDDHDJ-NEPJUHHUSA-N	0	3	309.360	2.684	20	30		DFEDHN
CC(C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCOCC1	ZINC000358590754	158391889	/nfs/dbraw/zinc/39/18/89/158391889.db2.gz	OBFOGKBUGNUDJU-RDTXWAMCSA-N	0	3	319.424	2.705	20	30		DFEDHN
C[C@H]1CN(CCC2CCN(CC3(C#N)CC3)CC2)C[C@H](C)O1	ZINC000343315765	335070792	/nfs/dbraw/zinc/07/07/92/335070792.db2.gz	RBHKYZMGDVIZSH-HOTGVXAUSA-N	0	3	305.466	2.501	20	30		DFEDHN
CN1CC[C@@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1	ZINC000132721630	196278140	/nfs/dbraw/zinc/27/81/40/196278140.db2.gz	MZBXYCQMQBNTAT-SJORKVTESA-N	0	3	317.339	2.964	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(COC)cs2)CC1	ZINC000668370441	543798669	/nfs/dbraw/zinc/79/86/69/543798669.db2.gz	XLZLULHYNLXVNT-UHFFFAOYSA-N	0	3	308.447	2.665	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](OC)C2CCCCC2)CC1	ZINC000668370219	543798768	/nfs/dbraw/zinc/79/87/68/543798768.db2.gz	QLERUEZAIOPAJJ-QGZVFWFLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H]3COC[C@@H]3C2)cc(OC)c1O	ZINC000668706456	543850378	/nfs/dbraw/zinc/85/03/78/543850378.db2.gz	SLNFUFAAKBAKRB-HOTGVXAUSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1occc1C)C(C)C	ZINC000668682550	543844886	/nfs/dbraw/zinc/84/48/86/543844886.db2.gz	JOYCHWJARDWIJA-MRXNPFEDSA-N	0	3	304.434	2.945	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](CN3CCCC3=O)C2)c1	ZINC000668716726	543852661	/nfs/dbraw/zinc/85/26/61/543852661.db2.gz	FOLCSUPIVFSBFI-QGZVFWFLSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCCOCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000670172834	544027055	/nfs/dbraw/zinc/02/70/55/544027055.db2.gz	HMJHVYJJHQTIRD-OAHLLOKOSA-N	0	3	310.825	2.652	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@@H](c1cncc(Br)c1)C1CC1	ZINC000671249077	544063434	/nfs/dbraw/zinc/06/34/34/544063434.db2.gz	KPCNPSXPLQPWRE-UONOGXRCSA-N	0	3	311.223	2.822	20	30		DFEDHN
O=C1C[C@H]([C@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CN1	ZINC000671448816	544074212	/nfs/dbraw/zinc/07/42/12/544074212.db2.gz	HPLZNVKPECWIKD-HOTGVXAUSA-N	0	3	316.832	2.540	20	30		DFEDHN
FC(F)(F)c1ccc(C#CCN2CC[C@H](c3nc[nH]n3)C2)cc1	ZINC000425549152	335074704	/nfs/dbraw/zinc/07/47/04/335074704.db2.gz	NSBCQKMNAJOHKL-ZDUSSCGKSA-N	0	3	320.318	2.665	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(F)c(Cl)c2F)CC1	ZINC000184504435	335076729	/nfs/dbraw/zinc/07/67/29/335076729.db2.gz	PHWCRXJWEWZZJO-UHFFFAOYSA-N	0	3	314.763	2.998	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC2(F)F)CC1	ZINC000672839004	544156379	/nfs/dbraw/zinc/15/63/79/544156379.db2.gz	HHGFSODDPSYINZ-ZDUSSCGKSA-N	0	3	301.381	2.514	20	30		DFEDHN
N#Cc1ncccc1NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000290978730	222045513	/nfs/dbraw/zinc/04/55/13/222045513.db2.gz	RDMOOKFLKULMFG-KRWDZBQOSA-N	0	3	322.412	2.656	20	30		DFEDHN
C=CCC(CC=C)C(=O)N(CCCOC)C1CCN(C)CC1	ZINC000291119259	335081336	/nfs/dbraw/zinc/08/13/36/335081336.db2.gz	HCFXLXYSVWMSAY-UHFFFAOYSA-N	0	3	308.466	2.714	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000674100151	544220563	/nfs/dbraw/zinc/22/05/63/544220563.db2.gz	XRNNZPBXODNXGC-FUHWJXTLSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000674934363	544278121	/nfs/dbraw/zinc/27/81/21/544278121.db2.gz	ZAWRXALIIWSENV-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
CN(C)CCNc1c(C#N)cnc2ccc(OC(F)F)cc21	ZINC000299037754	228887889	/nfs/dbraw/zinc/88/78/89/228887889.db2.gz	BOTRKLGDFRBQAW-UHFFFAOYSA-N	0	3	306.316	2.681	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000678220775	544622215	/nfs/dbraw/zinc/62/22/15/544622215.db2.gz	YZKRGKRCBNROHB-CYBMUJFWSA-N	0	3	302.418	2.893	20	30		DFEDHN
COCC#CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000678759373	544715825	/nfs/dbraw/zinc/71/58/25/544715825.db2.gz	QVFYWSUJXUQHHK-LBPRGKRZSA-N	0	3	301.308	2.928	20	30		DFEDHN
COCC#CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000678774968	544720041	/nfs/dbraw/zinc/72/00/41/544720041.db2.gz	VLOLKVOJTYIEGJ-OAHLLOKOSA-N	0	3	323.396	2.634	20	30		DFEDHN
COCCN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1	ZINC000301986536	230021353	/nfs/dbraw/zinc/02/13/53/230021353.db2.gz	UUXLSYDKYJCQEP-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000302007643	230031139	/nfs/dbraw/zinc/03/11/39/230031139.db2.gz	UVWYASHJCLAWFW-QAPCUYQASA-N	0	3	321.428	2.838	20	30		DFEDHN
C=CCOCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000679606421	544883819	/nfs/dbraw/zinc/88/38/19/544883819.db2.gz	YDHOIONEHPIWQN-HNNXBMFYSA-N	0	3	319.449	2.618	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)CC1	ZINC000057155034	425896291	/nfs/dbraw/zinc/89/62/91/425896291.db2.gz	YJXORDLIEWRNLD-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
COc1ccc(CNCCN2CCCC2)cc1OCCCC#N	ZINC000064613680	425901675	/nfs/dbraw/zinc/90/16/75/425901675.db2.gz	AXKWYSJYBOPJLM-UHFFFAOYSA-N	0	3	317.433	2.563	20	30		DFEDHN
CC[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1	ZINC000066905082	425907490	/nfs/dbraw/zinc/90/74/90/425907490.db2.gz	HHHJYPMWNVXYAE-SFHVURJKSA-N	0	3	310.397	2.998	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)cc2OCC)CC1	ZINC000067207411	425909141	/nfs/dbraw/zinc/90/91/41/425909141.db2.gz	LTINNVKQBBIBRL-UHFFFAOYSA-N	0	3	300.402	2.677	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc(C#N)c2)C[C@H](C)O1	ZINC000067715062	425912575	/nfs/dbraw/zinc/91/25/75/425912575.db2.gz	NLMXKYOUHQGKIQ-FCEWJHQRSA-N	0	3	313.445	2.632	20	30		DFEDHN
N#CC1(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CCCC1	ZINC000068529228	425918699	/nfs/dbraw/zinc/91/86/99/425918699.db2.gz	FPDOACNFYDHNOJ-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000155683176	425924568	/nfs/dbraw/zinc/92/45/68/425924568.db2.gz	PLSGPGLXWBPYDU-ZMSDIMECSA-N	0	3	301.434	2.913	20	30		DFEDHN
Cc1nccn1-c1ccc(CNCc2ccc(C#N)cc2)cn1	ZINC000048782522	264013355	/nfs/dbraw/zinc/01/33/55/264013355.db2.gz	RPADWISRQNIRDE-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
CCCN(CCN1CCCC1)Cc1cc(C#N)ccc1OC	ZINC000352885801	269999468	/nfs/dbraw/zinc/99/94/68/269999468.db2.gz	DOINAONIVRXDHN-UHFFFAOYSA-N	0	3	301.434	2.875	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(NC(N)=O)cc1)CC2	ZINC000353390066	269999477	/nfs/dbraw/zinc/99/94/77/269999477.db2.gz	TUDTUUROZKBMEP-KRWDZBQOSA-N	0	3	306.369	2.826	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CNCCC1(F)F	ZINC000423484451	270000821	/nfs/dbraw/zinc/00/08/21/270000821.db2.gz	RDXWNTMZYUKURQ-JKSUJKDBSA-N	0	3	305.372	2.913	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000534020532	270002965	/nfs/dbraw/zinc/00/29/65/270002965.db2.gz	PMQLLBJMALFKKS-QUCCMNQESA-N	0	3	319.408	2.662	20	30		DFEDHN
CN1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccccc1	ZINC000534020504	270003046	/nfs/dbraw/zinc/00/30/46/270003046.db2.gz	PMQLLBJMALFKKS-AZUAARDMSA-N	0	3	319.408	2.662	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)CSc1ccc(C#N)cc1	ZINC000103069982	425935530	/nfs/dbraw/zinc/93/55/30/425935530.db2.gz	CATCAIYJXNBQNV-CQSZACIVSA-N	0	3	317.458	2.641	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)s1	ZINC000346344769	266125955	/nfs/dbraw/zinc/12/59/55/266125955.db2.gz	VEZVFIMJVWMQKY-UHFFFAOYSA-N	0	3	305.447	2.958	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000352474763	266145236	/nfs/dbraw/zinc/14/52/36/266145236.db2.gz	JYYYFWUOJNDFGN-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000344967765	266334707	/nfs/dbraw/zinc/33/47/07/266334707.db2.gz	CXONWRIUGHTPRK-TZMCWYRMSA-N	0	3	316.405	2.561	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](CC)O1	ZINC000398531367	266380125	/nfs/dbraw/zinc/38/01/25/266380125.db2.gz	RDOPAABQDKFCAW-IAGOWNOFSA-N	0	3	315.417	2.776	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1ccc(C#N)cc1	ZINC000341258484	267016624	/nfs/dbraw/zinc/01/66/24/267016624.db2.gz	ADSQPTVYNXEWJM-ZIAGYGMSSA-N	0	3	300.406	2.943	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000281359594	267020099	/nfs/dbraw/zinc/02/00/99/267020099.db2.gz	YHOHZDDHEPFHEA-CJNGLKHVSA-N	0	3	313.426	2.595	20	30		DFEDHN
CCCN1C[C@H](CN[C@H](C)c2ccc(C#N)cc2F)CC1=O	ZINC000421872731	267020299	/nfs/dbraw/zinc/02/02/99/267020299.db2.gz	GWNQKFCDMUYYRF-OCCSQVGLSA-N	0	3	303.381	2.606	20	30		DFEDHN
CCCN1C[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)CC1=O	ZINC000421872730	267020567	/nfs/dbraw/zinc/02/05/67/267020567.db2.gz	GWNQKFCDMUYYRF-JSGCOSHPSA-N	0	3	303.381	2.606	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCC1(F)F	ZINC000351998725	267048690	/nfs/dbraw/zinc/04/86/90/267048690.db2.gz	YAKXTXXKLHYJKZ-SNVBAGLBSA-N	0	3	313.373	2.925	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)[C@@H](C)CN1C	ZINC000347002841	267053031	/nfs/dbraw/zinc/05/30/31/267053031.db2.gz	DNFVOKFXZAJKQJ-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C#N)cc1Br	ZINC000351067514	267107264	/nfs/dbraw/zinc/10/72/64/267107264.db2.gz	WAGFHHNURYLSRV-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)[C@]12CCCO2	ZINC000453386036	267152186	/nfs/dbraw/zinc/15/21/86/267152186.db2.gz	OQWFGDLNHFSIQR-GVDBMIGSSA-N	0	3	304.365	2.514	20	30		DFEDHN
C[C@H](NCCCN1CCOC1=O)c1ccc(C#N)cc1Cl	ZINC000279016269	267181320	/nfs/dbraw/zinc/18/13/20/267181320.db2.gz	HICXGUVYPWCZCU-NSHDSACASA-N	0	3	307.781	2.705	20	30		DFEDHN
C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc2n[nH]cc2c1	ZINC000348786265	267185450	/nfs/dbraw/zinc/18/54/50/267185450.db2.gz	UGXMXRRQGOZKOY-LBPRGKRZSA-N	0	3	316.368	2.933	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000442674427	267203551	/nfs/dbraw/zinc/20/35/51/267203551.db2.gz	WIRUISYTQOIROA-WDYCEAGBSA-N	0	3	313.445	2.662	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccco1	ZINC000451678867	267204947	/nfs/dbraw/zinc/20/49/47/267204947.db2.gz	XMMSXOQOYPGXQZ-XHDPSFHLSA-N	0	3	314.389	2.647	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)o1	ZINC000342099936	267235462	/nfs/dbraw/zinc/23/54/62/267235462.db2.gz	LHQIGHRQISWWQE-WMLDXEAASA-N	0	3	323.396	2.792	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000421363042	267240952	/nfs/dbraw/zinc/24/09/52/267240952.db2.gz	KLXMKHIOHDHJJI-ZSDSOXJFSA-N	0	3	308.422	2.867	20	30		DFEDHN
CCc1cc(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1	ZINC000450440365	267242621	/nfs/dbraw/zinc/24/26/21/267242621.db2.gz	ZAVDANDSOLGPLZ-SFHVURJKSA-N	0	3	320.396	2.545	20	30		DFEDHN
CCc1ccc(CCN2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000523778979	267247632	/nfs/dbraw/zinc/24/76/32/267247632.db2.gz	ORQLGFDKSWZHAZ-UHFFFAOYSA-N	0	3	320.440	2.880	20	30		DFEDHN
C[C@H]1[C@H](C)N(Cc2ccc(Br)cc2C#N)CCN1C	ZINC000347005429	267252220	/nfs/dbraw/zinc/25/22/20/267252220.db2.gz	ABEQUJBARIJXRR-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)/C=C\c2ccc(C#N)cc2)cc1	ZINC000491059602	267284368	/nfs/dbraw/zinc/28/43/68/267284368.db2.gz	CSNXZSWMTAIYKS-QXMHVHEDSA-N	0	3	319.408	2.949	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCc1ccc(C#N)s1)c1ccccc1	ZINC000421909135	267287622	/nfs/dbraw/zinc/28/76/22/267287622.db2.gz	DZNBYRZWKFXXEH-MRXNPFEDSA-N	0	3	313.426	2.929	20	30		DFEDHN
Cc1cc(NC[C@H]2CCCN2Cc2ccccc2)c(C#N)cn1	ZINC000399602396	267299837	/nfs/dbraw/zinc/29/98/37/267299837.db2.gz	VTSAUSYMWGDORL-GOSISDBHSA-N	0	3	306.413	2.760	20	30		DFEDHN
Cc1cc(NC2CCN(Cc3ccccc3)CC2)c(C#N)cn1	ZINC000399570444	267299974	/nfs/dbraw/zinc/29/99/74/267299974.db2.gz	IIXUMRWBZSHIJW-UHFFFAOYSA-N	0	3	306.413	2.760	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1	ZINC000436254708	267303765	/nfs/dbraw/zinc/30/37/65/267303765.db2.gz	RRMOHHOMFNGNNX-SFHVURJKSA-N	0	3	323.396	2.552	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1	ZINC000447811507	267334380	/nfs/dbraw/zinc/33/43/80/267334380.db2.gz	FYQAVFIFGHIHSL-OAHLLOKOSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN1CC[C@]2(CCN(c3cc(C(F)(F)F)cnc3C#N)C2)C1	ZINC000413300186	267341832	/nfs/dbraw/zinc/34/18/32/267341832.db2.gz	IZCAXDJHIIPUKK-AWEZNQCLSA-N	0	3	310.323	2.504	20	30		DFEDHN
COC(=O)CCC1CCN(Cc2ccc(C#N)c(F)c2)CC1	ZINC000515195040	267360173	/nfs/dbraw/zinc/36/01/73/267360173.db2.gz	HNHMBOSIHYUOOH-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(C#N)o2)C[C@H]1c1ccccc1	ZINC000449755270	267389988	/nfs/dbraw/zinc/38/99/88/267389988.db2.gz	NQOKZRWUOHTHLW-IRXDYDNUSA-N	0	3	310.353	2.540	20	30		DFEDHN
C[C@H](CN1CCCCCC1)NC(=O)c1cccc(F)c1C#N	ZINC000187641278	267866939	/nfs/dbraw/zinc/86/69/39/267866939.db2.gz	DZALSJRERPLJEY-CYBMUJFWSA-N	0	3	303.381	2.692	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000045027208	425859766	/nfs/dbraw/zinc/85/97/66/425859766.db2.gz	KEIXDMAPFRWDHZ-SFHVURJKSA-N	0	3	320.396	2.954	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)cc1)C(C)C	ZINC000046018400	425863759	/nfs/dbraw/zinc/86/37/59/425863759.db2.gz	QSOTZFMBAJCMNG-SFHVURJKSA-N	0	3	311.429	2.987	20	30		DFEDHN
C[C@@H](C1CC1)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1	ZINC000046060059	425863922	/nfs/dbraw/zinc/86/39/22/425863922.db2.gz	BCTRZHPPPKIRDU-AWEZNQCLSA-N	0	3	303.450	2.934	20	30		DFEDHN
Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)cc(C#N)n1	ZINC000516052282	267949795	/nfs/dbraw/zinc/94/97/95/267949795.db2.gz	KCUVVZWCWKJIOQ-HNNXBMFYSA-N	0	3	321.428	2.716	20	30		DFEDHN
N#CC(C(=O)c1cncc(Br)c1)c1ccccn1	ZINC000046439285	425864931	/nfs/dbraw/zinc/86/49/31/425864931.db2.gz	ATVXLOXZUMUIEN-NSHDSACASA-N	0	3	302.131	2.729	20	30		DFEDHN
COC(=O)[C@](C)(CNCc1ccc(C#N)s1)c1ccccc1	ZINC000191577721	268006635	/nfs/dbraw/zinc/00/66/35/268006635.db2.gz	GJDYWYIRILNZNS-QGZVFWFLSA-N	0	3	314.410	2.840	20	30		DFEDHN
N#Cc1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)o1	ZINC000352921054	268034966	/nfs/dbraw/zinc/03/49/66/268034966.db2.gz	FFYWZTLGZIWBLN-UHFFFAOYSA-N	0	3	315.417	2.927	20	30		DFEDHN
Cc1cccc2c1CC[C@H]2NC[C@@H](O)COc1ccccc1C#N	ZINC000530232065	268058885	/nfs/dbraw/zinc/05/88/85/268058885.db2.gz	WMXDYORLTOVKKR-VQIMIIECSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)n1	ZINC000487912230	268074582	/nfs/dbraw/zinc/07/45/82/268074582.db2.gz	OLQFIWVGHYZVQM-GOSISDBHSA-N	0	3	323.444	2.987	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H](C2CC2)C(F)(F)F)cc1	ZINC000289996767	268086891	/nfs/dbraw/zinc/08/68/91/268086891.db2.gz	FKFMHKUMNGHHHG-UONOGXRCSA-N	0	3	321.302	2.698	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC23CCC(CC2)C3)cc1	ZINC000370485184	268089506	/nfs/dbraw/zinc/08/95/06/268089506.db2.gz	QKVPZIUYYFDICX-URSIVYNOSA-N	0	3	307.397	2.937	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](c3ccco3)C2)cc1	ZINC000366215840	268090081	/nfs/dbraw/zinc/09/00/81/268090081.db2.gz	LGCPFPAHQPOYKB-DLBZAZTESA-N	0	3	319.364	2.850	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H](C2CC2)C(F)(F)F)cc1	ZINC000289996765	268092312	/nfs/dbraw/zinc/09/23/12/268092312.db2.gz	FKFMHKUMNGHHHG-KGLIPLIRSA-N	0	3	321.302	2.698	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194321247	268098394	/nfs/dbraw/zinc/09/83/94/268098394.db2.gz	NOYISMPTPLHKTA-ZDUSSCGKSA-N	0	3	306.797	2.817	20	30		DFEDHN
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cccc(C#N)c2)C1	ZINC000194855520	268119605	/nfs/dbraw/zinc/11/96/05/268119605.db2.gz	BCLCXFBYVKTOKR-SFHVURJKSA-N	0	3	300.402	2.969	20	30		DFEDHN
CC(C)(C)OC(=O)NC1CC(NCc2cccc(C#N)c2)C1	ZINC000229841122	268145316	/nfs/dbraw/zinc/14/53/16/268145316.db2.gz	MSKBTBGOASMQII-UHFFFAOYSA-N	0	3	301.390	2.704	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1c(C)noc1C)C(C)C	ZINC000047633203	425871183	/nfs/dbraw/zinc/87/11/83/425871183.db2.gz	LXULGUVMYLFOCC-KRWDZBQOSA-N	0	3	319.449	2.649	20	30		DFEDHN
C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1CCCCCC1	ZINC000269624195	268189341	/nfs/dbraw/zinc/18/93/41/268189341.db2.gz	SABKPFQIRLRZFW-OAHLLOKOSA-N	0	3	311.429	2.928	20	30		DFEDHN
N#Cc1ccc(C2(NC[C@H](O)c3ccccc3)CCOCC2)cc1	ZINC000528780380	268212098	/nfs/dbraw/zinc/21/20/98/268212098.db2.gz	COUOEEILCUAJOO-IBGZPJMESA-N	0	3	322.408	2.887	20	30		DFEDHN
N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cc1	ZINC000426932041	268213449	/nfs/dbraw/zinc/21/34/49/268213449.db2.gz	LOLDOWKOHXPRIZ-IBGZPJMESA-N	0	3	321.424	2.801	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(C(N)=O)c1	ZINC000341759318	268219128	/nfs/dbraw/zinc/21/91/28/268219128.db2.gz	TYLMCWYLKQSULK-GOSISDBHSA-N	0	3	305.381	2.824	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H](CO)Cc1ccc(F)cc1)CC2	ZINC000353279240	268223421	/nfs/dbraw/zinc/22/34/21/268223421.db2.gz	VEGQELFAPLWKED-PKOBYXMFSA-N	0	3	310.372	2.878	20	30		DFEDHN
Cc1nccn1CCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000270864220	268228042	/nfs/dbraw/zinc/22/80/42/268228042.db2.gz	KOHREWKVVBLQTF-UHFFFAOYSA-N	0	3	310.401	2.607	20	30		DFEDHN
N#Cc1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)c(F)c1	ZINC000412018121	268232475	/nfs/dbraw/zinc/23/24/75/268232475.db2.gz	ZQOPSRLYZTUHOS-UHFFFAOYSA-N	0	3	314.404	2.974	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1	ZINC000428532869	268232977	/nfs/dbraw/zinc/23/29/77/268232977.db2.gz	GATZXDWPWAZHQD-RTBURBONSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)o1	ZINC000428536016	268233393	/nfs/dbraw/zinc/23/33/93/268233393.db2.gz	LVLWCWWQYVNIGG-IRXDYDNUSA-N	0	3	300.333	2.546	20	30		DFEDHN
N#Cc1cccc(C2(NCC[S@](=O)c3ccccc3)CC2)c1	ZINC000341943313	268240818	/nfs/dbraw/zinc/24/08/18/268240818.db2.gz	RWECQTMXKIYNNX-QFIPXVFZSA-N	0	3	310.422	2.945	20	30		DFEDHN
CN(C)[C@@]1(CNc2nc3c(cc2C#N)CCCC3)CCSC1	ZINC000270961498	268241163	/nfs/dbraw/zinc/24/11/63/268241163.db2.gz	NZZLTDRQJXXLEQ-QGZVFWFLSA-N	0	3	316.474	2.681	20	30		DFEDHN
N#Cc1cccc(C2(NC3CCN(CC(F)F)CC3)CC2)c1	ZINC000342811260	268241363	/nfs/dbraw/zinc/24/13/63/268241363.db2.gz	SREARQJGQJMSOY-UHFFFAOYSA-N	0	3	305.372	2.866	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@H]2CCCCC(F)(F)C2)C(N)=O)cc1	ZINC000427840704	268263724	/nfs/dbraw/zinc/26/37/24/268263724.db2.gz	WZGUNPCZAIAVBE-ZFWWWQNUSA-N	0	3	321.371	2.890	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1	ZINC000292657057	268264338	/nfs/dbraw/zinc/26/43/38/268264338.db2.gz	ACZCNMMXSPUXRU-QAPCUYQASA-N	0	3	322.412	2.901	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@H](c3ccncn3)C2)c1	ZINC000360037994	268272303	/nfs/dbraw/zinc/27/23/03/268272303.db2.gz	FWUAWRTXZKDZFG-KRWDZBQOSA-N	0	3	322.412	2.997	20	30		DFEDHN
CC[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000048681073	425876927	/nfs/dbraw/zinc/87/69/27/425876927.db2.gz	YPZDMJVAZOBLPT-SFHVURJKSA-N	0	3	310.397	2.998	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2cnccc2C#N)C1	ZINC000323750963	268350370	/nfs/dbraw/zinc/35/03/70/268350370.db2.gz	DMTWMWOZXBNRKM-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000157618357	425939396	/nfs/dbraw/zinc/93/93/96/425939396.db2.gz	IGFXCEPCLZECOW-AEFFLSMTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1	ZINC000158972508	425950689	/nfs/dbraw/zinc/95/06/89/425950689.db2.gz	SRCOWROBOMRVOO-AWEZNQCLSA-N	0	3	307.401	2.668	20	30		DFEDHN
COc1cc(CN(C)CCOc2ccc(C#N)cc2)ccc1O	ZINC000104195289	425959920	/nfs/dbraw/zinc/95/99/20/425959920.db2.gz	TWCNSHFDBYSSKS-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CCn2cccn2)ccc1OC	ZINC000125329369	425965203	/nfs/dbraw/zinc/96/52/03/425965203.db2.gz	UUYPYLLVOHIJAO-UHFFFAOYSA-N	0	3	315.417	2.979	20	30		DFEDHN
C=C(C)COc1cc(CNCCn2cc(C)cn2)ccc1OC	ZINC000105908540	425969704	/nfs/dbraw/zinc/96/97/04/425969704.db2.gz	COZGAZMJJPMDRC-UHFFFAOYSA-N	0	3	315.417	2.945	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2csc(C)n2)CC1	ZINC000106275728	425971424	/nfs/dbraw/zinc/97/14/24/425971424.db2.gz	XQBYMZPMUDNVRH-UHFFFAOYSA-N	0	3	322.478	2.633	20	30		DFEDHN
Cc1nccn1CCCCN1CCN(c2ccccc2C#N)CC1	ZINC000125490925	425974951	/nfs/dbraw/zinc/97/49/51/425974951.db2.gz	WJHSUNCABCKODC-UHFFFAOYSA-N	0	3	323.444	2.666	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1	ZINC000110570031	426033912	/nfs/dbraw/zinc/03/39/12/426033912.db2.gz	ICXVANDXSFCDHR-MOPGFXCFSA-N	0	3	310.441	2.784	20	30		DFEDHN
CCCCN(C)CCNC(=O)CSCc1ccc(C#N)cc1	ZINC000112309954	426072041	/nfs/dbraw/zinc/07/20/41/426072041.db2.gz	WZDYSMFBQGWDTM-UHFFFAOYSA-N	0	3	319.474	2.640	20	30		DFEDHN
N#CCSCCCN1CCCN(C(=O)c2ccsc2)CC1	ZINC000074982061	426059700	/nfs/dbraw/zinc/05/97/00/426059700.db2.gz	SZCRPEKNGMXYKM-UHFFFAOYSA-N	0	3	323.487	2.543	20	30		DFEDHN
CN(CCCSCC#N)Cc1ccccc1N1CCOCC1	ZINC000074981060	426059807	/nfs/dbraw/zinc/05/98/07/426059807.db2.gz	AQMQGQZXYGBTDG-UHFFFAOYSA-N	0	3	319.474	2.602	20	30		DFEDHN
CC1(C)CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163155192	426090987	/nfs/dbraw/zinc/09/09/87/426090987.db2.gz	GIKNUVLGBUXXFH-MRXNPFEDSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](Nc2ccccc2)C1	ZINC000076757385	426116820	/nfs/dbraw/zinc/11/68/20/426116820.db2.gz	WADPRWTXVZEDGJ-WMZOPIPTSA-N	0	3	313.445	2.762	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C(C)C	ZINC000076711368	426117230	/nfs/dbraw/zinc/11/72/30/426117230.db2.gz	QTUGWEDAFXVLEY-QAPCUYQASA-N	0	3	301.434	2.981	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCc1ccc(OC(F)F)cc1	ZINC000076801596	426118623	/nfs/dbraw/zinc/11/86/23/426118623.db2.gz	DTDYVRUNZYRUSW-UHFFFAOYSA-N	0	3	312.360	2.802	20	30		DFEDHN
CCOC[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000113936240	426124302	/nfs/dbraw/zinc/12/43/02/426124302.db2.gz	SIILSCXBKBSMFX-ZDUSSCGKSA-N	0	3	321.446	2.697	20	30		DFEDHN
CCc1cc(N2CCC[C@@H](NCc3cccc(C#N)c3)C2)ncn1	ZINC000112505653	426080102	/nfs/dbraw/zinc/08/01/02/426080102.db2.gz	NZDVJSMRHJPKRP-GOSISDBHSA-N	0	3	321.428	2.669	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1cccs1	ZINC000116908835	426202048	/nfs/dbraw/zinc/20/20/48/426202048.db2.gz	GSFYSWRHUMDZFM-HOCLYGCPSA-N	0	3	312.438	2.759	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2cccc3ccccc32)CC1	ZINC000171724472	426206725	/nfs/dbraw/zinc/20/67/25/426206725.db2.gz	DGQZVDQFQPXBTK-UHFFFAOYSA-N	0	3	324.424	2.985	20	30		DFEDHN
C=C[C@H](CC(=O)NC[C@H]1CCCN1CCOC)c1ccccc1	ZINC000129952067	426142303	/nfs/dbraw/zinc/14/23/03/426142303.db2.gz	BAYSPBYFFMDGMK-SJLPKXTDSA-N	0	3	316.445	2.573	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cn1	ZINC000115034867	426153148	/nfs/dbraw/zinc/15/31/48/426153148.db2.gz	JLKHHCIYIUPCEC-KRWDZBQOSA-N	0	3	318.380	2.578	20	30		DFEDHN
C=CCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	ZINC000132349978	426169065	/nfs/dbraw/zinc/16/90/65/426169065.db2.gz	JUTVMVOXFBJHSP-OAHLLOKOSA-N	0	3	319.401	2.742	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1	ZINC000171720319	426206557	/nfs/dbraw/zinc/20/65/57/426206557.db2.gz	RFRWPTAXZVTBQT-UHFFFAOYSA-N	0	3	302.462	2.825	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCn3cccc3[C@@H]2C)CC1	ZINC000171607464	426198601	/nfs/dbraw/zinc/19/86/01/426198601.db2.gz	SERTXKIZSOPSQV-HNNXBMFYSA-N	0	3	316.449	2.615	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCS[C@H]3COCC[C@@H]32)cc1	ZINC000135528559	426221236	/nfs/dbraw/zinc/22/12/36/426221236.db2.gz	SNPTYWPPVAHVAF-IRXDYDNUSA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000081734184	426226550	/nfs/dbraw/zinc/22/65/50/426226550.db2.gz	PJGPGBMIPBUJLD-AWEZNQCLSA-N	0	3	324.428	2.756	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)s1	ZINC000135680904	426227073	/nfs/dbraw/zinc/22/70/73/426227073.db2.gz	LUPICPSIFHFKDJ-JTQLQIEISA-N	0	3	303.353	2.594	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(CN2CCOCC2)CC1	ZINC000118397189	426234710	/nfs/dbraw/zinc/23/47/10/426234710.db2.gz	FOVUNNFJOOUNMV-INIZCTEOSA-N	0	3	313.445	2.663	20	30		DFEDHN
N#Cc1ccc(CNCCc2nc(C(F)(F)F)cs2)o1	ZINC000173846634	426248922	/nfs/dbraw/zinc/24/89/22/426248922.db2.gz	CQCAEPUXPQCEAH-UHFFFAOYSA-N	0	3	301.293	2.959	20	30		DFEDHN
C[C@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccccc1F	ZINC000174602064	426260579	/nfs/dbraw/zinc/26/05/79/426260579.db2.gz	NXVQHLCRSIHWGY-CYBMUJFWSA-N	0	3	324.359	2.902	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(C)cc2)CC1	ZINC000171738794	426207523	/nfs/dbraw/zinc/20/75/23/426207523.db2.gz	DLUCKBZCCUQXFC-UHFFFAOYSA-N	0	3	301.434	2.787	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1	ZINC000079949063	426207624	/nfs/dbraw/zinc/20/76/24/426207624.db2.gz	WCWQKJITVYPLSK-SJLPKXTDSA-N	0	3	313.445	2.702	20	30		DFEDHN
COCCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000171796514	426212631	/nfs/dbraw/zinc/21/26/31/426212631.db2.gz	VFDZCJWMFMWRQU-CQSZACIVSA-N	0	3	316.382	2.967	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccsc1	ZINC000175283593	426294294	/nfs/dbraw/zinc/29/42/94/426294294.db2.gz	BFKBRAHXEFSYSZ-HNNXBMFYSA-N	0	3	316.430	2.761	20	30		DFEDHN
CN(CCCSCC#N)Cc1cc(Br)cn1C	ZINC000151578478	426302860	/nfs/dbraw/zinc/30/28/60/426302860.db2.gz	NCRYBTCHEMZRRM-UHFFFAOYSA-N	0	3	316.268	2.866	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175691915	426321365	/nfs/dbraw/zinc/32/13/65/426321365.db2.gz	NPTGBNJQNLHFDJ-AWEZNQCLSA-N	0	3	322.412	2.842	20	30		DFEDHN
CC(C)N(C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000175718876	426322981	/nfs/dbraw/zinc/32/29/81/426322981.db2.gz	JIGSVJWFJQTVPA-UHFFFAOYSA-N	0	3	312.335	2.513	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000090883802	426333405	/nfs/dbraw/zinc/33/34/05/426333405.db2.gz	JLAKBQAECJOOOJ-ZDUSSCGKSA-N	0	3	306.406	2.897	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000153711736	426402454	/nfs/dbraw/zinc/40/24/54/426402454.db2.gz	PYVFIIIBMUSJPA-KRWDZBQOSA-N	0	3	301.434	2.651	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1cccc(SCC#N)c1	ZINC000176075333	426350658	/nfs/dbraw/zinc/35/06/58/426350658.db2.gz	APRDPDLBUHPVDQ-HNNXBMFYSA-N	0	3	317.458	2.859	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1	ZINC000093479732	426356509	/nfs/dbraw/zinc/35/65/09/426356509.db2.gz	YXQRPGAISMDKLT-PITVIPOPSA-N	0	3	300.402	2.570	20	30		DFEDHN
C#CCOc1ccc(CNC[C@](C)(O)c2cccs2)cc1	ZINC000152991201	426365110	/nfs/dbraw/zinc/36/51/10/426365110.db2.gz	NQYNLNXYEZMOPD-KRWDZBQOSA-N	0	3	301.411	2.757	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1	ZINC000176285469	426366286	/nfs/dbraw/zinc/36/62/86/426366286.db2.gz	YRKPAMOEBQVONO-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1C	ZINC000176330509	426371625	/nfs/dbraw/zinc/37/16/25/426371625.db2.gz	IKTCZFUAHJYWMZ-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
CCCN(CCN(CC)CC)CC(=O)Nc1sccc1C#N	ZINC000122567006	426381827	/nfs/dbraw/zinc/38/18/27/426381827.db2.gz	ZRHYYTGQBCPYMZ-UHFFFAOYSA-N	0	3	322.478	2.612	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3sccc3C2)s1	ZINC000176953891	426427578	/nfs/dbraw/zinc/42/75/78/426427578.db2.gz	NZOGYYDKBOCNJT-UHFFFAOYSA-N	0	3	303.456	2.829	20	30		DFEDHN
CN(C)CCOc1ccccc1CNCc1ccc(C#N)s1	ZINC000176958577	426428690	/nfs/dbraw/zinc/42/86/90/426428690.db2.gz	BIZPYCXDQZUMTB-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
C[C@H]1CCCC[C@H]1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123387294	426431013	/nfs/dbraw/zinc/43/10/13/426431013.db2.gz	ZTJSJLDSARGQCV-WMLDXEAASA-N	0	3	312.417	2.891	20	30		DFEDHN
CN(C)c1cccc(CNCc2cnc3ccc(C#N)cn23)c1	ZINC000123624777	426443517	/nfs/dbraw/zinc/44/35/17/426443517.db2.gz	WQZBMWZXYSLOAY-UHFFFAOYSA-N	0	3	305.385	2.562	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000341170736	269051846	/nfs/dbraw/zinc/05/18/46/269051846.db2.gz	ACOPYUCEINVMKG-QGZVFWFLSA-N	0	3	311.360	2.730	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000177208125	426454558	/nfs/dbraw/zinc/45/45/58/426454558.db2.gz	KRGVTCNFCGREES-KGLIPLIRSA-N	0	3	300.402	2.606	20	30		DFEDHN
N#Cc1csc(CNCCCNC(=O)c2cccs2)c1	ZINC000177700244	426507172	/nfs/dbraw/zinc/50/71/72/426507172.db2.gz	WNXXHGCEWXFNLR-UHFFFAOYSA-N	0	3	305.428	2.591	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000186363837	426511925	/nfs/dbraw/zinc/51/19/25/426511925.db2.gz	KWUQEFIYMMIZGJ-DLBZAZTESA-N	0	3	315.417	2.680	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)C2(C#N)CCCC2)CCN1Cc1ccccc1	ZINC000288205983	426517282	/nfs/dbraw/zinc/51/72/82/426517282.db2.gz	MMFYRWKVDYHEKW-DOTOQJQBSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NCCN1CCC(C)CC1	ZINC000272432934	426525714	/nfs/dbraw/zinc/52/57/14/426525714.db2.gz	JPZCVFMCWPXZMD-UHFFFAOYSA-N	0	3	319.449	2.752	20	30		DFEDHN
Cn1cc(CN2CCC[C@@](C)(O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000280236930	426527672	/nfs/dbraw/zinc/52/76/72/426527672.db2.gz	WKXHCDGDLYHHQY-LJQANCHMSA-N	0	3	324.428	2.696	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@H]2CCN(C)[C@H](C)C2)c1C	ZINC000177654528	426500738	/nfs/dbraw/zinc/50/07/38/426500738.db2.gz	CKCURYAEVMJXDV-PBHICJAKSA-N	0	3	317.477	2.888	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000264510995	426565839	/nfs/dbraw/zinc/56/58/39/426565839.db2.gz	XOFKIHXWYJXVON-UHFFFAOYSA-N	0	3	319.361	2.584	20	30		DFEDHN
CC(C)C(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000289283279	426620880	/nfs/dbraw/zinc/62/08/80/426620880.db2.gz	QIFKDWBSHPDYDC-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)NC(C)(C)CC	ZINC000273176657	426609718	/nfs/dbraw/zinc/60/97/18/426609718.db2.gz	FWURWBPYHCBRNX-GFCCVEGCSA-N	0	3	306.381	2.943	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1	ZINC000264479330	426562273	/nfs/dbraw/zinc/56/22/73/426562273.db2.gz	KZRBXKKHUWWYQJ-UHFFFAOYSA-N	0	3	324.428	2.765	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1	ZINC000264497965	426562929	/nfs/dbraw/zinc/56/29/29/426562929.db2.gz	PNURQLKPDSKQGY-CQSZACIVSA-N	0	3	320.408	2.750	20	30		DFEDHN
CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCOC(C)(C)C1	ZINC000289360839	426636390	/nfs/dbraw/zinc/63/63/90/426636390.db2.gz	AFEWEVHUGFNKPJ-INIZCTEOSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCSCCN[C@H](C)c1ccccc1OCC(=O)OC	ZINC000273344288	426648084	/nfs/dbraw/zinc/64/80/84/426648084.db2.gz	LVIAHOLPPJAHKB-CYBMUJFWSA-N	0	3	309.431	2.808	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000280774573	426653881	/nfs/dbraw/zinc/65/38/81/426653881.db2.gz	AQIJLKNBPQVDLO-ACJLOTCBSA-N	0	3	323.396	2.710	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(CCN(C)C)Cc1ccccc1	ZINC000280780348	426655183	/nfs/dbraw/zinc/65/51/83/426655183.db2.gz	PIKCTYQUGUDTQA-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@@H](N3CCCCC3)C2)c1C#N	ZINC000273388278	426656338	/nfs/dbraw/zinc/65/63/38/426656338.db2.gz	UNAYXUFCRZSMCF-CYBMUJFWSA-N	0	3	304.825	2.980	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000289678894	426670389	/nfs/dbraw/zinc/67/03/89/426670389.db2.gz	GTWGCFICUTWCRM-SZVBFZGTSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1	ZINC000178692268	426676995	/nfs/dbraw/zinc/67/69/95/426676995.db2.gz	UGFRRZBZUPRSRF-HUUCEWRRSA-N	0	3	304.459	2.927	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)c2c(C)noc2C)CC1	ZINC000281249437	426706922	/nfs/dbraw/zinc/70/69/22/426706922.db2.gz	DWPVDISTAILLSK-UHFFFAOYSA-N	0	3	319.449	2.726	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)C[C@H]1CCCN1CC	ZINC000188038913	426716854	/nfs/dbraw/zinc/71/68/54/426716854.db2.gz	YZADUGYJCGKSNP-OAHLLOKOSA-N	0	3	315.417	2.647	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC(C)(C)c2ccccc21	ZINC000280969169	426696598	/nfs/dbraw/zinc/69/65/98/426696598.db2.gz	VJAGBVONEURFKD-MRXNPFEDSA-N	0	3	307.459	2.990	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2cccc(N3CCCC3)c2)C1=O	ZINC000280974888	426697965	/nfs/dbraw/zinc/69/79/65/426697965.db2.gz	HZMRRLFLMCVUBO-YJBOKZPZSA-N	0	3	313.445	2.724	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O	ZINC000281134842	426702380	/nfs/dbraw/zinc/70/23/80/426702380.db2.gz	ABCKUQIBRHBJPI-GDBMZVCRSA-N	0	3	304.821	2.916	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(O)c1	ZINC000274431079	426767634	/nfs/dbraw/zinc/76/76/34/426767634.db2.gz	VRJCVNMGBWRMEP-HNNXBMFYSA-N	0	3	304.434	2.885	20	30		DFEDHN
C#CCCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000266755549	426772733	/nfs/dbraw/zinc/77/27/33/426772733.db2.gz	NQCYGTVNKQJPMA-SFHVURJKSA-N	0	3	313.445	2.563	20	30		DFEDHN
C#CCCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000266755548	426773609	/nfs/dbraw/zinc/77/36/09/426773609.db2.gz	NQCYGTVNKQJPMA-GOSISDBHSA-N	0	3	313.445	2.563	20	30		DFEDHN
COc1cc(CNC[C@@](C)(O)c2cc(C)oc2C)ccc1C#N	ZINC000281842869	426776219	/nfs/dbraw/zinc/77/62/19/426776219.db2.gz	YOMLVWNQPQMVRM-GOSISDBHSA-N	0	3	314.385	2.774	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)c(OC)c1)C2	ZINC000281840473	426776969	/nfs/dbraw/zinc/77/69/69/426776969.db2.gz	YKQSSZQZDRDNDT-MRXNPFEDSA-N	0	3	324.380	2.669	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000188692240	426778858	/nfs/dbraw/zinc/77/88/58/426778858.db2.gz	RHCMGTNSYVPSKZ-VQIMIIECSA-N	0	3	318.461	2.852	20	30		DFEDHN
COCCO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000188823781	426790061	/nfs/dbraw/zinc/79/00/61/426790061.db2.gz	HLPJARYOCRSRDF-GOSISDBHSA-N	0	3	318.417	2.606	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1	ZINC000188111640	426725269	/nfs/dbraw/zinc/72/52/69/426725269.db2.gz	VFFOGHYJMIQUFF-YJBOKZPZSA-N	0	3	315.413	2.720	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)[C@H](CCO)c1ccccc1	ZINC000266567144	426740524	/nfs/dbraw/zinc/74/05/24/426740524.db2.gz	BNPDULLVWAHGCT-LJQANCHMSA-N	0	3	310.397	2.993	20	30		DFEDHN
COc1cc(CNC[C@](C)(O)c2ccsc2)ccc1C#N	ZINC000281783731	426765121	/nfs/dbraw/zinc/76/51/21/426765121.db2.gz	TYVNFLNPKVXRAN-INIZCTEOSA-N	0	3	302.399	2.626	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(c3cccc(OC)c3)CC2)C1=O	ZINC000282039412	426818205	/nfs/dbraw/zinc/81/82/05/426818205.db2.gz	QTWLADZASUIFDB-SFHVURJKSA-N	0	3	314.429	2.662	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](c2ccc(OC)cc2)C2CC2)C1=O	ZINC000282078721	426825231	/nfs/dbraw/zinc/82/52/31/426825231.db2.gz	UFMQXEJVLWIMJI-IRXDYDNUSA-N	0	3	300.402	2.523	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1	ZINC000180128502	426838273	/nfs/dbraw/zinc/83/82/73/426838273.db2.gz	CHEMQVKDZNZLKZ-GOSISDBHSA-N	0	3	309.413	2.868	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C#N	ZINC000267189243	426840980	/nfs/dbraw/zinc/84/09/80/426840980.db2.gz	MALBEZFSGOEVHW-KPZWWZAWSA-N	0	3	314.360	2.918	20	30		DFEDHN
COCCO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000188823806	426793236	/nfs/dbraw/zinc/79/32/36/426793236.db2.gz	HLPJARYOCRSRDF-SFHVURJKSA-N	0	3	318.417	2.606	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CCCN(C(C)C)CC2)c1C	ZINC000267283574	426861738	/nfs/dbraw/zinc/86/17/38/426861738.db2.gz	VWLREBNSTDHHIC-UHFFFAOYSA-N	0	3	317.477	2.890	20	30		DFEDHN
COc1cc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N	ZINC000282276963	426869294	/nfs/dbraw/zinc/86/92/94/426869294.db2.gz	KUAKXAGNWNPELU-CVEARBPZSA-N	0	3	302.418	2.796	20	30		DFEDHN
COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1C#N	ZINC000282311368	426878318	/nfs/dbraw/zinc/87/83/18/426878318.db2.gz	MZOSXIXHRRMYFH-RHSMWYFYSA-N	0	3	310.401	2.846	20	30		DFEDHN
COC(=O)[C@H]1C[C@H](c2ccccc2)CN(Cc2ccc(C#N)o2)C1	ZINC000180719624	426881211	/nfs/dbraw/zinc/88/12/11/426881211.db2.gz	JRDHAAAIVWWTBC-HOTGVXAUSA-N	0	3	324.380	2.930	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCO[C@@H]2c2nccn2C)c1	ZINC000275644204	426885851	/nfs/dbraw/zinc/88/58/51/426885851.db2.gz	TXBQSYXRJQJRHN-IRXDYDNUSA-N	0	3	313.401	2.605	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1	ZINC000189575003	426894067	/nfs/dbraw/zinc/89/40/67/426894067.db2.gz	QOOWLAGILSODKB-UYAOXDASSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(Cc3ccc(F)cc3)CC2)CC1	ZINC000275813067	426925968	/nfs/dbraw/zinc/92/59/68/426925968.db2.gz	QFTJVRZQGNKDKA-UHFFFAOYSA-N	0	3	316.420	2.915	20	30		DFEDHN
CCOC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C	ZINC000189795201	426952427	/nfs/dbraw/zinc/95/24/27/426952427.db2.gz	DBJJDUOXFFSCRZ-BBRMVZONSA-N	0	3	303.406	2.536	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@@H](CSc2ccccc2)C1	ZINC000247695937	426958373	/nfs/dbraw/zinc/95/83/73/426958373.db2.gz	WSIHONHSFUYFDZ-LSDHHAIUSA-N	0	3	304.459	2.791	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1	ZINC000247695936	426959177	/nfs/dbraw/zinc/95/91/77/426959177.db2.gz	WSIHONHSFUYFDZ-HUUCEWRRSA-N	0	3	304.459	2.791	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000189876601	426968926	/nfs/dbraw/zinc/96/89/26/426968926.db2.gz	ZOKFGGKMQAMTOB-INIZCTEOSA-N	0	3	323.444	2.561	20	30		DFEDHN
CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328599054	426981563	/nfs/dbraw/zinc/98/15/63/426981563.db2.gz	BPZFVCLLPSKMPS-JHJVBQTASA-N	0	3	304.438	2.798	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C#N)s1	ZINC000181815186	426982619	/nfs/dbraw/zinc/98/26/19/426982619.db2.gz	CBKZQRRQGCHCNH-CHWSQXEVSA-N	0	3	315.446	2.673	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1	ZINC000189694700	426927119	/nfs/dbraw/zinc/92/71/19/426927119.db2.gz	HEQDUIUZCQQCQF-CYBMUJFWSA-N	0	3	317.437	2.626	20	30		DFEDHN
C[C@H](CNCc1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C	ZINC000282848062	426928680	/nfs/dbraw/zinc/92/86/80/426928680.db2.gz	PHYLPGMPSLGBQR-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)cc2C)C1(C)C	ZINC000189993572	426993495	/nfs/dbraw/zinc/99/34/95/426993495.db2.gz	JCTGTTQVNPCVSB-AEFFLSMTSA-N	0	3	302.418	2.522	20	30		DFEDHN
C#CCCCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000181320912	426938299	/nfs/dbraw/zinc/93/82/99/426938299.db2.gz	MFWODEBAWHENEQ-INIZCTEOSA-N	0	3	301.434	2.610	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)s1	ZINC000328871127	427006758	/nfs/dbraw/zinc/00/67/58/427006758.db2.gz	YFFWNPMRYIQLDY-ZFWWWQNUSA-N	0	3	317.458	2.943	20	30		DFEDHN
Cn1ncc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1C1CC1	ZINC000328858371	427007745	/nfs/dbraw/zinc/00/77/45/427007745.db2.gz	YCYNTGAJVMFTHL-ZDUSSCGKSA-N	0	3	302.422	2.619	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1OC	ZINC000190046471	427008273	/nfs/dbraw/zinc/00/82/73/427008273.db2.gz	BMRHZLKRCGBDGR-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
CN1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccccc1	ZINC000328899791	427009597	/nfs/dbraw/zinc/00/95/97/427009597.db2.gz	ZEYJLAYZGWUORE-BPQIPLTHSA-N	0	3	324.428	2.847	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCOCCOCC)cc1OC	ZINC000276269964	427022606	/nfs/dbraw/zinc/02/26/06/427022606.db2.gz	XVUXEESOFNJASG-UHFFFAOYSA-N	0	3	323.433	2.745	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1noc(C2CC2)n1)N1CCCCC1	ZINC000329028333	427026391	/nfs/dbraw/zinc/02/63/91/427026391.db2.gz	OWHNEJQXELFUQM-AWEZNQCLSA-N	0	3	306.410	2.914	20	30		DFEDHN
CN(Cc1cnc2ccc(C#N)cn12)CC1(O)CCCCCC1	ZINC000190139672	427030542	/nfs/dbraw/zinc/03/05/42/427030542.db2.gz	DLQUCHYRZBNOLY-UHFFFAOYSA-N	0	3	312.417	2.723	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000268485531	427031632	/nfs/dbraw/zinc/03/16/32/427031632.db2.gz	PXIBOUHLWBUDMO-MSOLQXFVSA-N	0	3	316.445	2.598	20	30		DFEDHN
CCCn1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1C1CC1	ZINC000329065122	427037017	/nfs/dbraw/zinc/03/70/17/427037017.db2.gz	VXGIJVRVKXWFSH-MLGOLLRUSA-N	0	3	316.449	2.958	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCCC1	ZINC000329096474	427042224	/nfs/dbraw/zinc/04/22/24/427042224.db2.gz	BUGXQEYGFYQYCJ-JFIYKMOQSA-N	0	3	324.465	2.792	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCC[C@H](C)C1	ZINC000248861124	427053291	/nfs/dbraw/zinc/05/32/91/427053291.db2.gz	VGXGMGJFRNOSSR-LSDHHAIUSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCC[C@@H](C)C1	ZINC000248861122	427053800	/nfs/dbraw/zinc/05/38/00/427053800.db2.gz	VGXGMGJFRNOSSR-HUUCEWRRSA-N	0	3	314.433	2.995	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000329216327	427067659	/nfs/dbraw/zinc/06/76/59/427067659.db2.gz	OHDZRAFALGRDHS-ZDUSSCGKSA-N	0	3	317.389	2.846	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	ZINC000268617998	427069276	/nfs/dbraw/zinc/06/92/76/427069276.db2.gz	HUANHHIXOVWFLR-QPGLYAHGSA-N	0	3	300.446	2.645	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000248972750	427070577	/nfs/dbraw/zinc/07/05/77/427070577.db2.gz	DLHHOLXXCBWBMZ-ZMSDIMECSA-N	0	3	322.836	2.529	20	30		DFEDHN
COCCN(CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000268633999	427075480	/nfs/dbraw/zinc/07/54/80/427075480.db2.gz	CCIVXBMFGOEECF-FQEVSTJZSA-N	0	3	324.424	2.783	20	30		DFEDHN
CCN(CCN1CCOC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1	ZINC000249013336	427077081	/nfs/dbraw/zinc/07/70/81/427077081.db2.gz	IZLYQYQTLTUUJM-JKSUJKDBSA-N	0	3	301.434	2.662	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1	ZINC000329271929	427078859	/nfs/dbraw/zinc/07/88/59/427078859.db2.gz	HSBMOABDKFSLEY-HZPDHXFCSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C1=CCN(C)CC1	ZINC000329295151	427084655	/nfs/dbraw/zinc/08/46/55/427084655.db2.gz	JWTUDVMDEBIHES-SNVBAGLBSA-N	0	3	304.781	2.562	20	30		DFEDHN
O=C(NCc1nc2ccccc2s1)N[C@@H]1CCN(C2CC2)C1	ZINC000329291183	427085010	/nfs/dbraw/zinc/08/50/10/427085010.db2.gz	IOYGGMMFXHZCBG-LLVKDONJSA-N	0	3	316.430	2.537	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCN1C	ZINC000329307192	427088003	/nfs/dbraw/zinc/08/80/03/427088003.db2.gz	YEHSMDKUSPTDAV-RGCMKSIDSA-N	0	3	324.469	2.506	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CN(c2ccccc2)C1=O)N1[C@H](C)CC[C@@H]1C	ZINC000329334929	427092954	/nfs/dbraw/zinc/09/29/54/427092954.db2.gz	OHVDPWJMGYKAMR-HLPPOEQASA-N	0	3	315.417	2.620	20	30		DFEDHN
O=C(NCCN1CCC2(CCCCC2)CC1)N[C@@H]1CCCOC1	ZINC000329330719	427093176	/nfs/dbraw/zinc/09/31/76/427093176.db2.gz	LYSPVLAYLOWQIC-MRXNPFEDSA-N	0	3	323.481	2.715	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)C1=CCN(C)CC1	ZINC000329356369	427099033	/nfs/dbraw/zinc/09/90/33/427099033.db2.gz	WEWOZBPZHLZDIZ-GOEBONIOSA-N	0	3	321.465	2.632	20	30		DFEDHN
CC(=O)N[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@H]1C)C1CCCC1	ZINC000329364112	427101442	/nfs/dbraw/zinc/10/14/42/427101442.db2.gz	HUFPQTFDVIZDAZ-XYPHTWIQSA-N	0	3	321.465	2.607	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)c2cnn(C)c2-c2ccccc2)C1	ZINC000329383693	427104208	/nfs/dbraw/zinc/10/42/08/427104208.db2.gz	OQLILZRPNWPUIC-HNNXBMFYSA-N	0	3	312.417	2.876	20	30		DFEDHN
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000276582232	427106375	/nfs/dbraw/zinc/10/63/75/427106375.db2.gz	BQLZJZYSKGXEFK-SJKOYZFVSA-N	0	3	301.365	2.902	20	30		DFEDHN
N#Cc1cc(NCc2ccccc2CN2CCC(O)CC2)ccn1	ZINC000283973979	427107670	/nfs/dbraw/zinc/10/76/70/427107670.db2.gz	ZKKSUZYQBGAAPN-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
O=C(Nc1cccc2c1OCO2)N1CC[C@H](N2CCCCC2)C1	ZINC000329421003	427113704	/nfs/dbraw/zinc/11/37/04/427113704.db2.gz	DRYHMEDWOYLJRW-ZDUSSCGKSA-N	0	3	317.389	2.521	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000249461646	427116439	/nfs/dbraw/zinc/11/64/39/427116439.db2.gz	PCHXDDZCTYRMRQ-RDTXWAMCSA-N	0	3	311.429	2.857	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1cc[nH]n1	ZINC000329459500	427119801	/nfs/dbraw/zinc/11/98/01/427119801.db2.gz	RQMKGROPBRVTIF-ZBFHGGJFSA-N	0	3	319.453	2.725	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSC[C@H](C)C1	ZINC000190479433	427120913	/nfs/dbraw/zinc/12/09/13/427120913.db2.gz	GJQCWJGWWNJYLE-CYBMUJFWSA-N	0	3	306.431	2.631	20	30		DFEDHN
CC(C)n1cnnc1SCC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329507687	427131534	/nfs/dbraw/zinc/13/15/34/427131534.db2.gz	LWZKOTNSWAQXBB-GFCCVEGCSA-N	0	3	323.466	2.558	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000338086842	427135704	/nfs/dbraw/zinc/13/57/04/427135704.db2.gz	OBHJMGAYHZUMJC-GOSISDBHSA-N	0	3	321.424	2.769	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CC[C@@H](O)c3ccccc3)C2)nc1	ZINC000292218134	427135813	/nfs/dbraw/zinc/13/58/13/427135813.db2.gz	OXGXPOWHIRGSRQ-QZTJIDSGSA-N	0	3	323.396	2.530	20	30		DFEDHN
C[C@@H](NC(=O)c1cccc2ccc(=O)[nH]c21)C1=CCN(C)CC1	ZINC000329572529	427144930	/nfs/dbraw/zinc/14/49/30/427144930.db2.gz	RBDAXEVELUTGBT-GFCCVEGCSA-N	0	3	311.385	2.895	20	30		DFEDHN
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)[C@H]1CCCOC1	ZINC000329584951	427146435	/nfs/dbraw/zinc/14/64/35/427146435.db2.gz	XYNMOCIPQWGRAP-YIOUJQMASA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1sccc1C#N	ZINC000250284174	427155932	/nfs/dbraw/zinc/15/59/32/427155932.db2.gz	JEYWBHQAHKBTJM-UPJWGTAASA-N	0	3	305.447	2.716	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000277301874	427156470	/nfs/dbraw/zinc/15/64/70/427156470.db2.gz	AZYXRVXWXCBHHP-HXUWFJFHSA-N	0	3	322.452	2.820	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCC[C@@H](C)C1	ZINC000249576660	427130488	/nfs/dbraw/zinc/13/04/88/427130488.db2.gz	PQQZXPFAPMWCSD-CHWSQXEVSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000251845029	427164597	/nfs/dbraw/zinc/16/45/97/427164597.db2.gz	ORYSDRHNICCEKQ-HIFRSBDPSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](C)[C@H](OC)C1	ZINC000251947026	427165840	/nfs/dbraw/zinc/16/58/40/427165840.db2.gz	VBAUAWYNYPRICW-SZVBFZGTSA-N	0	3	319.445	2.512	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@H](C)N(C2CC2)C1=O)C(C)C	ZINC000277333816	427168271	/nfs/dbraw/zinc/16/82/71/427168271.db2.gz	MRGBSERUUNGEAA-HOCLYGCPSA-N	0	3	319.449	2.500	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000284286107	427174876	/nfs/dbraw/zinc/17/48/76/427174876.db2.gz	KBNJSNSEDCULHF-PEYYIBSZSA-N	0	3	308.397	2.506	20	30		DFEDHN
CC#CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1	ZINC000277362626	427178058	/nfs/dbraw/zinc/17/80/58/427178058.db2.gz	FXOATHPFNKUBPS-UHFFFAOYSA-N	0	3	312.335	2.619	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(N2CCOC2=O)cc1	ZINC000190880848	427193231	/nfs/dbraw/zinc/19/32/31/427193231.db2.gz	CWJVZVYFGBJLFB-CYBMUJFWSA-N	0	3	324.384	2.704	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1	ZINC000269440649	427198365	/nfs/dbraw/zinc/19/83/65/427198365.db2.gz	SNYPCNWQCIIQHA-PZPWOCDFSA-N	0	3	308.422	2.867	20	30		DFEDHN
C[C@@H](Cn1cccn1)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000269464713	427201740	/nfs/dbraw/zinc/20/17/40/427201740.db2.gz	ISIOTFYGHXJBPY-ZDUSSCGKSA-N	0	3	323.318	2.812	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCCO1)C(C)C	ZINC000338272821	427227144	/nfs/dbraw/zinc/22/71/44/427227144.db2.gz	VMQCHQLMWWDCTO-IRXDYDNUSA-N	0	3	323.481	2.553	20	30		DFEDHN
CC(C)C[C@@H](C)CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000330387905	427228325	/nfs/dbraw/zinc/22/83/25/427228325.db2.gz	MXJDPHAACBOPIP-HUUCEWRRSA-N	0	3	301.438	2.541	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCO1	ZINC000183236139	427229707	/nfs/dbraw/zinc/22/97/07/427229707.db2.gz	UCSDMEOBTBJZJI-QMTHXVAHSA-N	0	3	309.207	2.978	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1	ZINC000277560958	427243447	/nfs/dbraw/zinc/24/34/47/427243447.db2.gz	VTXJVQLAQXASJD-ZDUSSCGKSA-N	0	3	322.836	2.874	20	30		DFEDHN
CC[C@@H]1CCCN1CC(=O)NC(=O)Nc1ccc(C)cc1C	ZINC000330518848	427255700	/nfs/dbraw/zinc/25/57/00/427255700.db2.gz	NFXZESTXIKXVEE-CQSZACIVSA-N	0	3	303.406	2.840	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)c1	ZINC000338345992	427267818	/nfs/dbraw/zinc/26/78/18/427267818.db2.gz	GHHPRNQNUVRPLS-QGZVFWFLSA-N	0	3	323.396	2.793	20	30		DFEDHN
C[C@@H]1CC[C@H](C(N)=O)CN1CCC(=O)Nc1sccc1C#N	ZINC000330662841	427287256	/nfs/dbraw/zinc/28/72/56/427287256.db2.gz	DMUZSXIDAKKWKX-PWSUYJOCSA-N	0	3	320.418	2.584	20	30		DFEDHN
CCc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)[nH]c(C)c1C(N)=O	ZINC000330778588	427302008	/nfs/dbraw/zinc/30/20/08/427302008.db2.gz	BRMYMEWOMQLSEY-JTQLQIEISA-N	0	3	318.421	2.724	20	30		DFEDHN
CCCCn1ncc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1C	ZINC000330779391	427302892	/nfs/dbraw/zinc/30/28/92/427302892.db2.gz	WGSZDEAXBLGFMD-CYBMUJFWSA-N	0	3	304.438	2.947	20	30		DFEDHN
N#Cc1ncccc1NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000277737023	427303414	/nfs/dbraw/zinc/30/34/14/427303414.db2.gz	IFZLYVNZHNNZAI-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)NCCCC#N)[C@H]1c1cccs1	ZINC000330806969	427304895	/nfs/dbraw/zinc/30/48/95/427304895.db2.gz	AFPHPVBOMYKMHZ-HIFRSBDPSA-N	0	3	320.462	2.938	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C	ZINC000330833647	427306725	/nfs/dbraw/zinc/30/67/25/427306725.db2.gz	HOSMGRWSGIAXPL-ZDUSSCGKSA-N	0	3	321.469	2.727	20	30		DFEDHN
CNC(=O)c1cccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1	ZINC000330880623	427311866	/nfs/dbraw/zinc/31/18/66/427311866.db2.gz	ZBQJBNRVKGEPSB-HOTGVXAUSA-N	0	3	304.434	2.850	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)OCC	ZINC000270016691	427314510	/nfs/dbraw/zinc/31/45/10/427314510.db2.gz	HJYXGAMGGQKVFS-ZWKOTPCHSA-N	0	3	318.461	2.647	20	30		DFEDHN
CCc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000330965938	427321456	/nfs/dbraw/zinc/32/14/56/427321456.db2.gz	AUSVFLOLGRMPIF-SMDDNHRTSA-N	0	3	305.378	2.945	20	30		DFEDHN
Cn1cc(CN2CCN(Cc3ccccc3)C(C)(C)C2)cc1C#N	ZINC000191327732	427322420	/nfs/dbraw/zinc/32/24/20/427322420.db2.gz	ARNFSFUWGDZTLI-UHFFFAOYSA-N	0	3	322.456	2.993	20	30		DFEDHN
N#Cc1ccccc1N1CCN(C[C@@H](O)C2CCCCC2)CC1	ZINC000191329301	427323026	/nfs/dbraw/zinc/32/30/26/427323026.db2.gz	CODZEHDZTSFTGP-LJQANCHMSA-N	0	3	313.445	2.621	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000331001946	427324245	/nfs/dbraw/zinc/32/42/45/427324245.db2.gz	QZLMCBBXBDAJIV-RDJZCZTQSA-N	0	3	317.408	2.702	20	30		DFEDHN
C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1	ZINC000330994468	427325087	/nfs/dbraw/zinc/32/50/87/427325087.db2.gz	UEQSHLSECYWYGS-JTQLQIEISA-N	0	3	322.340	2.710	20	30		DFEDHN
Cn1cc(CN(CCCO)[C@@H]2CCc3ccccc32)cc1C#N	ZINC000191360588	427328034	/nfs/dbraw/zinc/32/80/34/427328034.db2.gz	JNUPXZNHNUJCAG-LJQANCHMSA-N	0	3	309.413	2.769	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H](CCO)C1CCCCC1	ZINC000183721437	427328805	/nfs/dbraw/zinc/32/88/05/427328805.db2.gz	QBDHGEYCHMJRNC-KRWDZBQOSA-N	0	3	302.418	2.988	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)NCC1(OC)CCC(C)CC1	ZINC000331046942	427330929	/nfs/dbraw/zinc/33/09/29/427330929.db2.gz	VEQHUEPPPWYMGO-ISXOHVOVSA-N	0	3	311.470	2.570	20	30		DFEDHN
C=C[C@H](CC(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1	ZINC000270358936	427331836	/nfs/dbraw/zinc/33/18/36/427331836.db2.gz	JPRZPXQMGPMFCR-CRAIPNDOSA-N	0	3	318.486	2.900	20	30		DFEDHN
COc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cccc1[N+](=O)[O-]	ZINC000331066922	427335802	/nfs/dbraw/zinc/33/58/02/427335802.db2.gz	QNEASTVDKBGGOV-DGCLKSJQSA-N	0	3	321.377	2.637	20	30		DFEDHN
CC[C@@H](C)n1ncc(NC(=O)NCCN2CCCCC2)c1C	ZINC000331103627	427344531	/nfs/dbraw/zinc/34/45/31/427344531.db2.gz	FEZLFRABJMIWQB-CYBMUJFWSA-N	0	3	307.442	2.974	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C	ZINC000293499408	427346644	/nfs/dbraw/zinc/34/66/44/427346644.db2.gz	UFKHQZSNNDSZDI-GHMZBOCLSA-N	0	3	303.431	2.777	20	30		DFEDHN
CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)s1	ZINC000331115412	427347855	/nfs/dbraw/zinc/34/78/55/427347855.db2.gz	NCADKKSNJQPGNV-MVWJERBFSA-N	0	3	311.451	2.946	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1C	ZINC000331109767	427348327	/nfs/dbraw/zinc/34/83/27/427348327.db2.gz	HWIJJTLEIMESNA-DZGCQCFKSA-N	0	3	321.469	2.982	20	30		DFEDHN
CC[C@@H](C)n1ncc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1C	ZINC000331109769	427348587	/nfs/dbraw/zinc/34/85/87/427348587.db2.gz	HWIJJTLEIMESNA-UKRRQHHQSA-N	0	3	321.469	2.982	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1cccc(NC(C)=O)c1	ZINC000330672376	427288187	/nfs/dbraw/zinc/28/81/87/427288187.db2.gz	GKBVKTXOCGQBTJ-INIZCTEOSA-N	0	3	303.406	2.824	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)C(c1ccccc1)c1ccccc1	ZINC000184005370	427373855	/nfs/dbraw/zinc/37/38/55/427373855.db2.gz	YHMLFFNDUHADOR-IAGOWNOFSA-N	0	3	320.436	2.935	20	30		DFEDHN
CC[C@H]1CCCCN1CCNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000297263824	427378830	/nfs/dbraw/zinc/37/88/30/427378830.db2.gz	WENHWRDWRICMCQ-ZDUSSCGKSA-N	0	3	303.366	2.538	20	30		DFEDHN
Cc1nc(C)c(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)s1	ZINC000331311396	427395039	/nfs/dbraw/zinc/39/50/39/427395039.db2.gz	GVIXTYLAPNEXQS-CQSZACIVSA-N	0	3	324.494	2.884	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN3CC[C@H](O)C3)c2)c1	ZINC000271066142	427395549	/nfs/dbraw/zinc/39/55/49/427395549.db2.gz	CHXQOXPCXHMIPX-SFHVURJKSA-N	0	3	308.381	2.704	20	30		DFEDHN
Cc1csc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)n1	ZINC000331312203	427396766	/nfs/dbraw/zinc/39/67/66/427396766.db2.gz	HIRNHJNUEZJTOP-LBPRGKRZSA-N	0	3	310.467	2.576	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000286053935	427413745	/nfs/dbraw/zinc/41/37/45/427413745.db2.gz	LLZOQXTZRONZQN-ZDUSSCGKSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000331455046	427416292	/nfs/dbraw/zinc/41/62/92/427416292.db2.gz	AFZXSHKSOJSFJT-CZUORRHYSA-N	0	3	307.401	2.871	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1F	ZINC000270435402	427355346	/nfs/dbraw/zinc/35/53/46/427355346.db2.gz	JYVQYBJGQUMTRX-PBHICJAKSA-N	0	3	304.365	2.909	20	30		DFEDHN
C#CCCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000270873702	427366202	/nfs/dbraw/zinc/36/62/02/427366202.db2.gz	ACIMIEUAJLRRQS-UHFFFAOYSA-N	0	3	316.836	2.519	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@H]1C	ZINC000331189338	427366216	/nfs/dbraw/zinc/36/62/16/427366216.db2.gz	VCBRJRSWASWGIZ-IJEWVQPXSA-N	0	3	317.433	2.611	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1CCN(C)C	ZINC000278787260	427452708	/nfs/dbraw/zinc/45/27/08/427452708.db2.gz	MHSNQXMMEWEVKC-NVXWUHKLSA-N	0	3	302.418	2.710	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1CC	ZINC000192001963	427460407	/nfs/dbraw/zinc/46/04/07/427460407.db2.gz	GBLWWTUVGKMOOZ-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
CC[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1	ZINC000278846104	427472971	/nfs/dbraw/zinc/47/29/71/427472971.db2.gz	VDZGHTBVLJQGOD-IAGOWNOFSA-N	0	3	316.401	2.521	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](O)[C@@H](CC)C2)ccc1OC	ZINC000271273007	427476781	/nfs/dbraw/zinc/47/67/81/427476781.db2.gz	KBLLLHDQDIXYTO-JKSUJKDBSA-N	0	3	305.418	2.853	20	30		DFEDHN
CCOC[C@@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C	ZINC000286283169	427477423	/nfs/dbraw/zinc/47/74/23/427477423.db2.gz	URIKMLHQDRGDSD-IUODEOHRSA-N	0	3	321.421	2.746	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000297929546	427485929	/nfs/dbraw/zinc/48/59/29/427485929.db2.gz	LLDOTEQASPTPLB-SJLPKXTDSA-N	0	3	313.445	2.562	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000184277916	427428934	/nfs/dbraw/zinc/42/89/34/427428934.db2.gz	RYUVWEUNZGOLMJ-CYBMUJFWSA-N	0	3	302.330	2.881	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1cc(C#N)oc1C	ZINC000331564473	427444955	/nfs/dbraw/zinc/44/49/55/427444955.db2.gz	UGOJIJYWYWXGNX-UHFFFAOYSA-N	0	3	303.406	2.798	20	30		DFEDHN
C=CCN(C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C1CC1	ZINC000271366922	427510896	/nfs/dbraw/zinc/51/08/96/427510896.db2.gz	GHOBANMSWXAFBA-INIZCTEOSA-N	0	3	301.434	2.519	20	30		DFEDHN
CCn1nccc1C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000278967068	427516808	/nfs/dbraw/zinc/51/68/08/427516808.db2.gz	XLSWXCHCZNCHJB-LJQANCHMSA-N	0	3	324.428	2.688	20	30		DFEDHN
C#CCSCCN[C@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000271440726	427537077	/nfs/dbraw/zinc/53/70/77/427537077.db2.gz	DFDZGEARGTZTPI-CQSZACIVSA-N	0	3	323.458	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NCc2cc(C(=O)OC)c(CC)o2)CC1	ZINC000338941743	427574029	/nfs/dbraw/zinc/57/40/29/427574029.db2.gz	AEYRVRNOYPVWSQ-UHFFFAOYSA-N	0	3	320.433	2.759	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N(C)C	ZINC000298351342	427579292	/nfs/dbraw/zinc/57/92/92/427579292.db2.gz	NALMNLMXYGSLQB-AWEZNQCLSA-N	0	3	307.397	2.905	20	30		DFEDHN
CC(C)(C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000263824159	427583091	/nfs/dbraw/zinc/58/30/91/427583091.db2.gz	RKCYUTMQOQEGMW-UHFFFAOYSA-N	0	3	313.445	2.703	20	30		DFEDHN
N#CCCOCCN1CCC(CN2CCc3ccccc32)CC1	ZINC000338997112	427611460	/nfs/dbraw/zinc/61/14/60/427611460.db2.gz	SJMWKPOXMYJUOZ-UHFFFAOYSA-N	0	3	313.445	2.691	20	30		DFEDHN
C=CCOCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000339025903	427631956	/nfs/dbraw/zinc/63/19/56/427631956.db2.gz	CHTSVNULDYOZAL-ZDUSSCGKSA-N	0	3	323.824	2.588	20	30		DFEDHN
CCC[C@@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000339077768	427664658	/nfs/dbraw/zinc/66/46/58/427664658.db2.gz	XAJMCNMCSINJMR-LJQANCHMSA-N	0	3	315.461	2.903	20	30		DFEDHN
COc1ccc(OCCNCc2ccc(C#N)cc2F)cc1	ZINC000343066573	272081407	/nfs/dbraw/zinc/08/14/07/272081407.db2.gz	MBCYWBAALBATSC-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)CSc1ccc(C#N)cc1	ZINC000343564096	272171737	/nfs/dbraw/zinc/17/17/37/272171737.db2.gz	GYOOCZTWUGJCGV-HNNXBMFYSA-N	0	3	317.458	2.641	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(O)(Cc3cccc(F)c3)CC2)C1	ZINC000339096131	427675414	/nfs/dbraw/zinc/67/54/14/427675414.db2.gz	IRXOBGJAOXQBNJ-WBVHZDCISA-N	0	3	302.393	2.887	20	30		DFEDHN
CCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1	ZINC000343707864	272205327	/nfs/dbraw/zinc/20/53/27/272205327.db2.gz	HVVDKCFGKJVIRS-UHFFFAOYSA-N	0	3	306.369	2.894	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)COc1ccccc1	ZINC000272230450	427679058	/nfs/dbraw/zinc/67/90/58/427679058.db2.gz	DRHAGYQOIPKLGD-INIZCTEOSA-N	0	3	301.386	2.750	20	30		DFEDHN
C=CCOCCN(C)C[C@H]1C[C@H](F)CN1Cc1cccs1	ZINC000339110976	427679890	/nfs/dbraw/zinc/67/98/90/427679890.db2.gz	WWRNFDWRLCBTFI-LSDHHAIUSA-N	0	3	312.454	2.795	20	30		DFEDHN
CC(C)CN(C(=O)c1ccc(F)c(C#N)c1)C1CCN(C)CC1	ZINC000279515483	427692650	/nfs/dbraw/zinc/69/26/50/427692650.db2.gz	UTGGVZDIEZCVHS-UHFFFAOYSA-N	0	3	317.408	2.890	20	30		DFEDHN
N#Cc1cncc(NCC2(N3CCSCC3)CCCCC2)n1	ZINC000333901994	427704733	/nfs/dbraw/zinc/70/47/33/427704733.db2.gz	ZJRSGRURDFYYEO-UHFFFAOYSA-N	0	3	317.462	2.512	20	30		DFEDHN
C#CC[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000272322379	427707871	/nfs/dbraw/zinc/70/78/71/427707871.db2.gz	ZELDCLAVSTVIJY-ULQDDVLXSA-N	0	3	305.443	2.696	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccoc1)C(C)C	ZINC000193860230	427721061	/nfs/dbraw/zinc/72/10/61/427721061.db2.gz	IHKWRDNAFDVOBI-INIZCTEOSA-N	0	3	305.422	2.777	20	30		DFEDHN
Cc1cc(NCCCc2[nH]nc(N)c2C#N)c2ccccc2n1	ZINC000301074640	427773646	/nfs/dbraw/zinc/77/36/46/427773646.db2.gz	JEKODEDAHSTLBT-UHFFFAOYSA-N	0	3	306.373	2.765	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@H](Cc1ccccc1)N(C)C)OCC	ZINC000339441026	427775928	/nfs/dbraw/zinc/77/59/28/427775928.db2.gz	SZZKQMLMMHWQHZ-ZWKOTPCHSA-N	0	3	318.461	2.647	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCCC2CCOCC2)CC1	ZINC000336927972	427777068	/nfs/dbraw/zinc/77/70/68/427777068.db2.gz	NGDRKBQEDHWOAR-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194425098	427742302	/nfs/dbraw/zinc/74/23/02/427742302.db2.gz	FOBHCYOFEMRALX-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC=C(C)CC2)c(OC)c1	ZINC000339625673	427803590	/nfs/dbraw/zinc/80/35/90/427803590.db2.gz	VZDRQYDFZYMRFA-KRWDZBQOSA-N	0	3	317.429	2.815	20	30		DFEDHN
N#CC1(CCCN2CCN(C3CCCC3)CC2)CCOCC1	ZINC000337140948	427804605	/nfs/dbraw/zinc/80/46/05/427804605.db2.gz	VAYFMYQNNRFWTP-UHFFFAOYSA-N	0	3	305.466	2.647	20	30		DFEDHN
C=CCN1CC[C@@H](N(CC)[C@@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337172685	427809376	/nfs/dbraw/zinc/80/93/76/427809376.db2.gz	GSDWTYMRSQMURW-MAUKXSAKSA-N	0	3	316.445	2.735	20	30		DFEDHN
CCc1nnc(NCCN2CCC[C@H](C)C2)c(C#N)c1CC	ZINC000301611171	427809932	/nfs/dbraw/zinc/80/99/32/427809932.db2.gz	DJJFVGOJKDJMAT-ZDUSSCGKSA-N	0	3	301.438	2.617	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc(N(C)C)c2)C1=O	ZINC000337191020	427812429	/nfs/dbraw/zinc/81/24/29/427812429.db2.gz	SCRGABSUXCNMBD-MSOLQXFVSA-N	0	3	313.445	2.676	20	30		DFEDHN
CN(C)CCN(Cc1cccnc1)c1ccc(Cl)c(C#N)n1	ZINC000301735381	427820373	/nfs/dbraw/zinc/82/03/73/427820373.db2.gz	GYWRFOKBTJQULS-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c(C#N)c(C)n1	ZINC000301782303	427823575	/nfs/dbraw/zinc/82/35/75/427823575.db2.gz	NNCIYRLRFFQBQV-HUUCEWRRSA-N	0	3	316.449	2.871	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(Cl)c1	ZINC000337249306	427823950	/nfs/dbraw/zinc/82/39/50/427823950.db2.gz	JHVMRODYPIIJOF-OIISXLGYSA-N	0	3	320.820	2.573	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3c(F)cccc3C2)CC1	ZINC000339776620	427826800	/nfs/dbraw/zinc/82/68/00/427826800.db2.gz	MSUFIVUPFPYJQL-UHFFFAOYSA-N	0	3	317.408	2.544	20	30		DFEDHN
CC(C)(CNc1ccc(C#N)nn1)N1CCc2ccccc2C1	ZINC000301911509	427839897	/nfs/dbraw/zinc/83/98/97/427839897.db2.gz	GNTDWQMEGOHOSN-UHFFFAOYSA-N	0	3	307.401	2.597	20	30		DFEDHN
Cc1cccc(CN2CCC(Nc3ccc(C#N)nn3)CC2)c1	ZINC000301936578	427844867	/nfs/dbraw/zinc/84/48/67/427844867.db2.gz	RLQNZENDVPZXSU-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CC(C)CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000302215971	427852249	/nfs/dbraw/zinc/85/22/49/427852249.db2.gz	OXIKPBBCZAXZID-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
N#Cc1cccnc1N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000349749626	427856608	/nfs/dbraw/zinc/85/66/08/427856608.db2.gz	RXUIORWIELGWPP-OALUTQOASA-N	0	3	318.424	2.879	20	30		DFEDHN
CCC(C)(C)CCN1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000349881652	427887721	/nfs/dbraw/zinc/88/77/21/427887721.db2.gz	LTADEXJYCLSZLV-UHFFFAOYSA-N	0	3	303.454	2.549	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@]3(CCCOC3)C2)c1	ZINC000355779117	427889391	/nfs/dbraw/zinc/88/93/91/427889391.db2.gz	GIRTUVACZFFWPI-SFHVURJKSA-N	0	3	300.402	2.830	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CCCOC2)C1	ZINC000355784164	427890839	/nfs/dbraw/zinc/89/08/39/427890839.db2.gz	OHTYAOFVVRZDJS-FUHWJXTLSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2OC(F)F)cc1	ZINC000337432673	427901473	/nfs/dbraw/zinc/90/14/73/427901473.db2.gz	VPNVXCRMRBXENU-UONOGXRCSA-N	0	3	323.343	2.637	20	30		DFEDHN
N#Cc1ccc(OCCN[C@H](CO)c2ccc(Cl)cc2)cc1	ZINC000359546006	427903147	/nfs/dbraw/zinc/90/31/47/427903147.db2.gz	YVMZHMAQZSOGGN-QGZVFWFLSA-N	0	3	316.788	2.914	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCc2ccccc2C1	ZINC000303609344	427905170	/nfs/dbraw/zinc/90/51/70/427905170.db2.gz	WIFAPHGQJWLCNJ-GOSISDBHSA-N	0	3	300.446	2.900	20	30		DFEDHN
CC1(C)CCC[C@]1(O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000355813453	427907169	/nfs/dbraw/zinc/90/71/69/427907169.db2.gz	PBYHNIUZRXUJMN-APWZRJJASA-N	0	3	314.429	2.816	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1	ZINC000337599572	427975829	/nfs/dbraw/zinc/97/58/29/427975829.db2.gz	LVLAXQMMMLMMKP-MRXNPFEDSA-N	0	3	317.433	2.600	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(CCOC)C1	ZINC000337600734	427976047	/nfs/dbraw/zinc/97/60/47/427976047.db2.gz	MTEVTOWTJUWJIN-MRXNPFEDSA-N	0	3	317.433	2.647	20	30		DFEDHN
CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CN2CCC1CC2	ZINC000356002638	427977810	/nfs/dbraw/zinc/97/78/10/427977810.db2.gz	QDRWKMMEKMEFKI-KRWDZBQOSA-N	0	3	311.429	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2COc3ccc(Cl)cc32)CC1	ZINC000369501598	427981699	/nfs/dbraw/zinc/98/16/99/427981699.db2.gz	SXXHLJCAQFAKIN-OAHLLOKOSA-N	0	3	320.820	2.583	20	30		DFEDHN
Cc1cc(N[C@H]2CN(C3CC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413194095	427985564	/nfs/dbraw/zinc/98/55/64/427985564.db2.gz	PGJPBBWXHJCIJR-NHYWBVRUSA-N	0	3	300.362	2.670	20	30		DFEDHN
CN(Cc1ccc(O)cc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000350153677	427934920	/nfs/dbraw/zinc/93/49/20/427934920.db2.gz	DVKHAINHCUJKIH-QGZVFWFLSA-N	0	3	319.364	2.605	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1	ZINC000359616757	427937878	/nfs/dbraw/zinc/93/78/78/427937878.db2.gz	JWKAUVZDLJWMAQ-MFKMUULPSA-N	0	3	312.291	2.765	20	30		DFEDHN
CC(C#N)C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1	ZINC000359644098	427951968	/nfs/dbraw/zinc/95/19/68/427951968.db2.gz	DBPOUWMWSOCHNQ-LLVKDONJSA-N	0	3	324.783	2.847	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC1CCN(Cc2cccc(C)c2)CC1	ZINC000369753276	428053208	/nfs/dbraw/zinc/05/32/08/428053208.db2.gz	OIIONCNVUNIAKA-INIZCTEOSA-N	0	3	313.445	2.670	20	30		DFEDHN
CN(C)CCN(C(=O)c1ccc(F)c(C#N)c1)C1CCCC1	ZINC000341383617	428054146	/nfs/dbraw/zinc/05/41/46/428054146.db2.gz	WUJVSWGDPMNGHT-UHFFFAOYSA-N	0	3	303.381	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](CC)CC(F)(F)F)CC1	ZINC000413240545	427999765	/nfs/dbraw/zinc/99/97/65/427999765.db2.gz	NMROGRHCNZMVNC-GFCCVEGCSA-N	0	3	321.387	2.915	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000341163771	428002345	/nfs/dbraw/zinc/00/23/45/428002345.db2.gz	IDPZAALAEBMMNM-KRWDZBQOSA-N	0	3	314.429	2.952	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000346062592	428006498	/nfs/dbraw/zinc/00/64/98/428006498.db2.gz	FUBHRVUBBIFGGR-PBHICJAKSA-N	0	3	319.424	2.705	20	30		DFEDHN
C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)cc1Cl	ZINC000369614671	428015985	/nfs/dbraw/zinc/01/59/85/428015985.db2.gz	GXJSWSKXZJXVAZ-AEGPPILISA-N	0	3	319.836	2.725	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000413308132	428017616	/nfs/dbraw/zinc/01/76/16/428017616.db2.gz	CBPBWVDJFKCKFV-NXHRZFHOSA-N	0	3	315.461	2.956	20	30		DFEDHN
CN(Cc1nc(C#N)cs1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000356096239	428019201	/nfs/dbraw/zinc/01/92/01/428019201.db2.gz	ZDJMRETUBLTVKR-MRXNPFEDSA-N	0	3	312.442	2.721	20	30		DFEDHN
N#Cc1ccc(N2CCN(c3ccnc4ccccc43)CC2)cn1	ZINC000377135789	428067588	/nfs/dbraw/zinc/06/75/88/428067588.db2.gz	HBEKJVQNRXSNSD-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
C=CCC1(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)CCC1	ZINC000359901091	428069186	/nfs/dbraw/zinc/06/91/86/428069186.db2.gz	NYQBVUNRXIUPBW-CABCVRRESA-N	0	3	308.491	2.771	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356223827	428076905	/nfs/dbraw/zinc/07/69/05/428076905.db2.gz	UFMZRTVAYPKGNF-NXHRZFHOSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1	ZINC000356228463	428078951	/nfs/dbraw/zinc/07/89/51/428078951.db2.gz	JWUNAJKGVIPEII-IBGZPJMESA-N	0	3	314.429	2.809	20	30		DFEDHN
CN(C)CCOC1CCN(c2ccc(Cl)cc2C#N)CC1	ZINC000356230818	428079506	/nfs/dbraw/zinc/07/95/06/428079506.db2.gz	VMIUEUAQVJNRNL-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCCN1CCCC[C@H]1CC	ZINC000341526116	428091249	/nfs/dbraw/zinc/09/12/49/428091249.db2.gz	CCUOGPGHOKGVIX-OAHLLOKOSA-N	0	3	317.433	2.641	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000352064906	428123885	/nfs/dbraw/zinc/12/38/85/428123885.db2.gz	DUXHNNZDNWFRTE-CXAGYDPISA-N	0	3	319.364	2.824	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(C#N)ccn2)C1	ZINC000352039814	428125362	/nfs/dbraw/zinc/12/53/62/428125362.db2.gz	JLKXTRKYHTWIFF-PBHICJAKSA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C	ZINC000341421045	428064818	/nfs/dbraw/zinc/06/48/18/428064818.db2.gz	TXNYIAVRWFWIRZ-HUUCEWRRSA-N	0	3	317.433	2.639	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(CN2CCCC2=O)CC1	ZINC000369809388	428066227	/nfs/dbraw/zinc/06/62/27/428066227.db2.gz	QOSPBNWXVLRXPB-OAHLLOKOSA-N	0	3	311.429	2.954	20	30		DFEDHN
CN(CCNc1c(C#N)cnc2c(F)cc(F)cc21)C1CC1	ZINC000352329913	428132920	/nfs/dbraw/zinc/13/29/20/428132920.db2.gz	UBXIQUAATCRMSU-UHFFFAOYSA-N	0	3	302.328	2.891	20	30		DFEDHN
Cc1[nH]cnc1CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000346338803	428133252	/nfs/dbraw/zinc/13/32/52/428133252.db2.gz	OREFGUHZRCRJAG-LBPRGKRZSA-N	0	3	323.183	2.949	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000370102745	428135602	/nfs/dbraw/zinc/13/56/02/428135602.db2.gz	OVIBJEGCHSZXOM-JYJNAYRXSA-N	0	3	324.465	2.645	20	30		DFEDHN
C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000360061540	428138192	/nfs/dbraw/zinc/13/81/92/428138192.db2.gz	SCILNZBPNNRHNS-PXAZEXFGSA-N	0	3	311.360	2.617	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]2C#N)N(C)C)cc1	ZINC000360066766	428140829	/nfs/dbraw/zinc/14/08/29/428140829.db2.gz	SBCYYTJQIDBZIB-ULQDDVLXSA-N	0	3	314.433	2.589	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC[C@H]1C	ZINC000413830760	428142511	/nfs/dbraw/zinc/14/25/11/428142511.db2.gz	YDKNDXZTSZIRBM-SJLPKXTDSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](N(C)C)C1	ZINC000413823351	428142853	/nfs/dbraw/zinc/14/28/53/428142853.db2.gz	MRWIISMKVAKWTM-ROUUACIJSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCN(C)[C@H]2C1	ZINC000413823490	428142956	/nfs/dbraw/zinc/14/29/56/428142956.db2.gz	AKBGFLXEDWLUHI-SQNIBIBYSA-N	0	3	313.445	2.519	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCCOC1	ZINC000352230399	428129818	/nfs/dbraw/zinc/12/98/18/428129818.db2.gz	JUUSPGGUTHCOGT-QGZVFWFLSA-N	0	3	310.401	2.570	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C2CCCC2)c1	ZINC000377440416	428130100	/nfs/dbraw/zinc/13/01/00/428130100.db2.gz	TYEPCGRRLSEWPF-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1	ZINC000360084173	428153568	/nfs/dbraw/zinc/15/35/68/428153568.db2.gz	JCORGNRYUQXKDQ-OAHLLOKOSA-N	0	3	302.418	2.665	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@]1(C)CCCc2ccccc21	ZINC000341685717	428156271	/nfs/dbraw/zinc/15/62/71/428156271.db2.gz	ACQOVHHOLUQIAH-HNAYVOBHSA-N	0	3	313.445	2.836	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccccc1CN(C)Cc1ccco1	ZINC000346462407	428181568	/nfs/dbraw/zinc/18/15/68/428181568.db2.gz	CHTDURVKRQYOOR-CQSZACIVSA-N	0	3	311.385	2.687	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C#N)c1Cl	ZINC000341837019	428224134	/nfs/dbraw/zinc/22/41/34/428224134.db2.gz	ALPXCRFMNUKPIV-XQQFMLRXSA-N	0	3	306.841	3.385	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1cccs1)C1CC1	ZINC000341843268	428226271	/nfs/dbraw/zinc/22/62/71/428226271.db2.gz	MPJVURSCJIQTLB-CVEARBPZSA-N	0	3	305.447	2.843	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)CCCC#N)cc1Cl	ZINC000360265878	428228599	/nfs/dbraw/zinc/22/85/99/428228599.db2.gz	HCJCFSNUGMFEHI-UHFFFAOYSA-N	0	3	309.797	2.913	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1ccnc(C2CC2)n1)C(C)C	ZINC000346591609	428232579	/nfs/dbraw/zinc/23/25/79/428232579.db2.gz	JYDIAOKHTOAVMP-MRXNPFEDSA-N	0	3	300.450	3.465	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CCCN(C2CCCCC2)C1	ZINC000370541266	428235300	/nfs/dbraw/zinc/23/53/00/428235300.db2.gz	DGRPQQHSGSVNTG-AWEZNQCLSA-N	0	3	315.417	2.987	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H]1C	ZINC000346671860	428266233	/nfs/dbraw/zinc/26/62/33/428266233.db2.gz	VYCCEKSZHVRSHO-ZFWWWQNUSA-N	0	3	300.402	2.871	20	30		DFEDHN
COCC1(C#N)CCN(CCCc2cccc(OC)c2)CC1	ZINC000341999929	428273903	/nfs/dbraw/zinc/27/39/03/428273903.db2.gz	VUCWDMMKVKVHDQ-UHFFFAOYSA-N	0	3	302.418	2.880	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000370725616	428283566	/nfs/dbraw/zinc/28/35/66/428283566.db2.gz	ULWWFBLBLJVWBL-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000346721647	428288470	/nfs/dbraw/zinc/28/84/70/428288470.db2.gz	QPAQCBSJGOKYJV-WOPDTQHZSA-N	0	3	319.371	2.704	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)[C@@H]2C1	ZINC000356738999	428289510	/nfs/dbraw/zinc/28/95/10/428289510.db2.gz	NMEMLNWLYZIYDN-KZNAEPCWSA-N	0	3	311.429	2.627	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000346721640	428289947	/nfs/dbraw/zinc/28/99/47/428289947.db2.gz	QPAQCBSJGOKYJV-GRYCIOLGSA-N	0	3	319.371	2.704	20	30		DFEDHN
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C2CC2)C1	ZINC000346735525	428295450	/nfs/dbraw/zinc/29/54/50/428295450.db2.gz	JVHAFAXOJIOAIF-QGZVFWFLSA-N	0	3	309.413	2.550	20	30		DFEDHN
C=CC[C@H](CO)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000341891617	428244259	/nfs/dbraw/zinc/24/42/59/428244259.db2.gz	VKAWMDOVKMHVAT-OLZOCXBDSA-N	0	3	308.378	2.829	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000370607121	428251416	/nfs/dbraw/zinc/25/14/16/428251416.db2.gz	UFOSWDJCBIZUGQ-QAPCUYQASA-N	0	3	324.465	2.789	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cccc(C#N)c3F)C[C@H]1CCCC2	ZINC000342124485	428311256	/nfs/dbraw/zinc/31/12/56/428311256.db2.gz	PAJKBAZXWVQVLT-QAPCUYQASA-N	0	3	316.376	2.863	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)N2CCc3c2cccc3CN2CCCC2)c1	ZINC000371083933	428355387	/nfs/dbraw/zinc/35/53/87/428355387.db2.gz	FESUSSRXZNMGPS-UHFFFAOYSA-N	0	3	320.396	2.685	20	30		DFEDHN
CCc1nccc([C@@H]2CCCN(CCCSCC#N)C2)n1	ZINC000360502731	428324061	/nfs/dbraw/zinc/32/40/61/428324061.db2.gz	GMKFGAZCNOAMAS-CQSZACIVSA-N	0	3	304.463	2.865	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cc(C#N)ccc3F)C[C@H]1CCCC2	ZINC000342157697	428327958	/nfs/dbraw/zinc/32/79/58/428327958.db2.gz	QSHSPDFCUJDROU-CRAIPNDOSA-N	0	3	316.376	2.863	20	30		DFEDHN
C[C@H](CNc1nccc(C#N)c1Cl)N(C)Cc1ccccc1	ZINC000342202416	428347392	/nfs/dbraw/zinc/34/73/92/428347392.db2.gz	AUHWDHNUSKNHOR-CYBMUJFWSA-N	0	3	314.820	3.539	20	30		DFEDHN
C=CC[C@@H](CO)CNC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000342211318	428351189	/nfs/dbraw/zinc/35/11/89/428351189.db2.gz	OAMRXTNGUXJPMG-MRXNPFEDSA-N	0	3	316.445	2.585	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1	ZINC000360566246	428351718	/nfs/dbraw/zinc/35/17/18/428351718.db2.gz	GZECLMWRVJRTLZ-PBHICJAKSA-N	0	3	301.434	2.764	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N1CCCN(CC)CC1	ZINC000378401655	428388805	/nfs/dbraw/zinc/38/88/05/428388805.db2.gz	VBVIEKKGQXAERH-UHFFFAOYSA-N	0	3	316.405	2.516	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1	ZINC000371946139	428407890	/nfs/dbraw/zinc/40/78/90/428407890.db2.gz	FOHZDSKYABLCCA-PMPSAXMXSA-N	0	3	309.454	2.510	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000353156869	428408583	/nfs/dbraw/zinc/40/85/83/428408583.db2.gz	SXPVRUPDIWFRJS-RDJZCZTQSA-N	0	3	309.381	2.521	20	30		DFEDHN
C#CCCCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000371957319	428408724	/nfs/dbraw/zinc/40/87/24/428408724.db2.gz	RBEJFIMJQIHIAQ-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCOC[C@H]2OCC)cc1OC	ZINC000353162962	428412321	/nfs/dbraw/zinc/41/23/21/428412321.db2.gz	BJWXLDBWCYAKKV-CRAIPNDOSA-N	0	3	321.417	2.544	20	30		DFEDHN
CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(CC#N)cc2)C1	ZINC000371269041	428379339	/nfs/dbraw/zinc/37/93/39/428379339.db2.gz	PYVISDWEZROQSE-RBUKOAKNSA-N	0	3	319.408	2.580	20	30		DFEDHN
CN1C[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H](c2ccccc2)C1	ZINC000371269040	428380872	/nfs/dbraw/zinc/38/08/72/428380872.db2.gz	PYVISDWEZROQSE-OALUTQOASA-N	0	3	319.408	2.580	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)CCOc1ccccc1F	ZINC000346955607	428384038	/nfs/dbraw/zinc/38/40/38/428384038.db2.gz	CZLGWSLKAKSSGF-UHFFFAOYSA-N	0	3	308.397	2.561	20	30		DFEDHN
C=CCN(Cc1csnn1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371373153	428386183	/nfs/dbraw/zinc/38/61/83/428386183.db2.gz	JWYCNBHHTRDHOE-KRWDZBQOSA-N	0	3	314.458	2.801	20	30		DFEDHN
CCc1nc(C)cc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000342666536	428437712	/nfs/dbraw/zinc/43/77/12/428437712.db2.gz	AOTCXBUWSJSCAT-UHFFFAOYSA-N	0	3	323.444	2.787	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1nccc(C#N)c1Cl	ZINC000342698211	428439270	/nfs/dbraw/zinc/43/92/70/428439270.db2.gz	WPSJFUWUPKWOLS-UHFFFAOYSA-N	0	3	304.781	2.768	20	30		DFEDHN
C[C@@H]1CC[C@@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1	ZINC000378623459	428440117	/nfs/dbraw/zinc/44/01/17/428440117.db2.gz	MPKXJFCYJICGBU-DNVCBOLYSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000372405253	428441563	/nfs/dbraw/zinc/44/15/63/428441563.db2.gz	OFVBEBTUPQCXAG-XIRDDKMYSA-N	0	3	301.434	2.793	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000347106511	428446610	/nfs/dbraw/zinc/44/66/10/428446610.db2.gz	LUSHDAKWTIVECC-OLZOCXBDSA-N	0	3	322.368	2.671	20	30		DFEDHN
CC(C)(C)c1ncc(CNCCOc2ccc(C#N)cc2)cn1	ZINC000342795681	428457898	/nfs/dbraw/zinc/45/78/98/428457898.db2.gz	HFKPEFVOFGOWIB-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
C=C(Br)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000372522521	428458307	/nfs/dbraw/zinc/45/83/07/428458307.db2.gz	OCGBGWZFOQEYBR-GJZGRUSLSA-N	0	3	324.266	2.915	20	30		DFEDHN
C[C@@H](COCc1ccccc1)NCc1cnc2ccc(C#N)cn12	ZINC000342799765	428459047	/nfs/dbraw/zinc/45/90/47/428459047.db2.gz	NETPAFVANGQLNM-HNNXBMFYSA-N	0	3	320.396	2.901	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1	ZINC000389936170	428467969	/nfs/dbraw/zinc/46/79/69/428467969.db2.gz	NBJYVCJVWUMTCX-QXCFYTAISA-N	0	3	311.429	2.563	20	30		DFEDHN
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1	ZINC000372186532	428422278	/nfs/dbraw/zinc/42/22/78/428422278.db2.gz	MNSCTMUKAQHLNN-MRXNPFEDSA-N	0	3	313.445	2.528	20	30		DFEDHN
CCOc1cc2c(cc1OCC)CN(C(=O)C(C)C#N)CC2	ZINC000347045147	428423733	/nfs/dbraw/zinc/42/37/33/428423733.db2.gz	ZIQPGRHMFOHLJW-GFCCVEGCSA-N	0	3	302.374	2.528	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1	ZINC000347064981	428431576	/nfs/dbraw/zinc/43/15/76/428431576.db2.gz	IPHBSIKUYAVFPM-LBPRGKRZSA-N	0	3	314.364	2.766	20	30		DFEDHN
Cc1ccccc1C1=CCN(CCC(=O)N(C)CCC#N)CC1	ZINC000372350243	428431835	/nfs/dbraw/zinc/43/18/35/428431835.db2.gz	RAELKNMFAFWVFI-UHFFFAOYSA-N	0	3	311.429	2.846	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000353325512	428488566	/nfs/dbraw/zinc/48/85/66/428488566.db2.gz	BCGUGHBQZVTLGT-CABCVRRESA-N	0	3	305.422	2.502	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(O)c1)C(C)C	ZINC000357350662	428496028	/nfs/dbraw/zinc/49/60/28/428496028.db2.gz	DZXHZIYWFLEAPB-KRWDZBQOSA-N	0	3	302.418	2.821	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000353364975	428503711	/nfs/dbraw/zinc/50/37/11/428503711.db2.gz	POIPWWMLZJVOCT-AWEZNQCLSA-N	0	3	317.776	2.837	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)C12CCCN1CCC2	ZINC000415067449	428510614	/nfs/dbraw/zinc/51/06/14/428510614.db2.gz	PHUZZFXZFZQZTQ-UHFFFAOYSA-N	0	3	309.413	2.701	20	30		DFEDHN
C[C@]1(Cc2ccccc2)CCCN1CC(=O)NC1(C#N)CCC1	ZINC000372610494	428474521	/nfs/dbraw/zinc/47/45/21/428474521.db2.gz	MNJJVKAIOMOMLU-GOSISDBHSA-N	0	3	311.429	2.646	20	30		DFEDHN
C=CCOc1ccc(CN(C)[C@H]2CCN(C3CC3)C2)cc1OC	ZINC000353305490	428478512	/nfs/dbraw/zinc/47/85/12/428478512.db2.gz	CXFZVROLRZSKCY-KRWDZBQOSA-N	0	3	316.445	2.929	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)c1nc2ccccc2n1C(F)F)C1CC1	ZINC000358095263	428580542	/nfs/dbraw/zinc/58/05/42/428580542.db2.gz	KLWPYJASMJKEAF-ONGXEEELSA-N	0	3	318.327	2.953	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1	ZINC000358125582	428582567	/nfs/dbraw/zinc/58/25/67/428582567.db2.gz	OMHYEGDLSUSJJC-CQSZACIVSA-N	0	3	300.402	2.632	20	30		DFEDHN
N#CC[C@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1	ZINC000373483170	428588330	/nfs/dbraw/zinc/58/83/30/428588330.db2.gz	IQUYAYWJIUJSOR-QZTJIDSGSA-N	0	3	311.429	2.771	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1ccccc1-n1ccnn1	ZINC000353448000	428538725	/nfs/dbraw/zinc/53/87/25/428538725.db2.gz	NFIWRINKARYLHA-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc(OC)c1O	ZINC000361152866	428542101	/nfs/dbraw/zinc/54/21/01/428542101.db2.gz	IDGYDKJZLRWUSC-KBPBESRZSA-N	0	3	304.434	2.654	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@@H](C)N2CCC[C@H](C)C2)c1C#N	ZINC000343481124	428549400	/nfs/dbraw/zinc/54/94/00/428549400.db2.gz	SVRIXKPTCLCWJJ-NWDGAFQWSA-N	0	3	306.841	3.447	20	30		DFEDHN
CC#CCCNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000361372610	428559558	/nfs/dbraw/zinc/55/95/58/428559558.db2.gz	PIABTNJLZOMMOS-UHFFFAOYSA-N	0	3	319.474	2.673	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	ZINC000347359743	428563100	/nfs/dbraw/zinc/56/31/00/428563100.db2.gz	WOPXHVLTPNZNRP-XHSDSOJGSA-N	0	3	307.459	2.814	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C	ZINC000343639202	428565221	/nfs/dbraw/zinc/56/52/21/428565221.db2.gz	XCJBPEHECRAFSV-HNNXBMFYSA-N	0	3	308.447	2.746	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc3cccnc32)CC1	ZINC000357824879	428566128	/nfs/dbraw/zinc/56/61/28/428566128.db2.gz	XWDYAZONZUGMAK-UHFFFAOYSA-N	0	3	309.413	2.544	20	30		DFEDHN
C=CCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000361429305	428567262	/nfs/dbraw/zinc/56/72/62/428567262.db2.gz	HCSYBANXFKKARJ-DZGCQCFKSA-N	0	3	307.825	2.818	20	30		DFEDHN
Cc1cc(CN2CCC(n3cnc(C#N)n3)CC2)c(C)s1	ZINC000373406521	428569643	/nfs/dbraw/zinc/56/96/43/428569643.db2.gz	RQCJWGZOJPZRBU-UHFFFAOYSA-N	0	3	301.419	2.665	20	30		DFEDHN
CC#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000361495045	428572245	/nfs/dbraw/zinc/57/22/45/428572245.db2.gz	BQQXNOHTJKPRBJ-AEFFLSMTSA-N	0	3	313.445	2.610	20	30		DFEDHN
CC#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000361495048	428573945	/nfs/dbraw/zinc/57/39/45/428573945.db2.gz	BQQXNOHTJKPRBJ-WMZOPIPTSA-N	0	3	313.445	2.610	20	30		DFEDHN
COc1cnccc1N1CCN(CCCCC(C)(C)C#N)CC1	ZINC000361529332	428574016	/nfs/dbraw/zinc/57/40/16/428574016.db2.gz	DPAPTHFMNFIALJ-UHFFFAOYSA-N	0	3	316.449	2.932	20	30		DFEDHN
CCN(C[C@@H](C)OC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000361563730	428575849	/nfs/dbraw/zinc/57/58/49/428575849.db2.gz	JQEPSLBTHXDDAZ-GARNVTTQSA-N	0	3	323.481	2.663	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1)CNCC2	ZINC000415893411	428618885	/nfs/dbraw/zinc/61/88/85/428618885.db2.gz	KPRJBQYXADMGFX-UHFFFAOYSA-N	0	3	300.406	2.784	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC(C)C)c1cccs1	ZINC000347621019	428620368	/nfs/dbraw/zinc/62/03/68/428620368.db2.gz	YTQLFQKYUAPQEZ-OLZOCXBDSA-N	0	3	323.462	2.825	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@H](O)CC1CCCC1	ZINC000344078697	428622184	/nfs/dbraw/zinc/62/21/84/428622184.db2.gz	YLKDXXUIJSPGBF-LJQANCHMSA-N	0	3	316.445	2.948	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1	ZINC000344075124	428622468	/nfs/dbraw/zinc/62/24/68/428622468.db2.gz	RNPDFPPFOHLWCN-FQEVSTJZSA-N	0	3	324.424	2.610	20	30		DFEDHN
C=CCOCCCN1CCN(C/C=C/c2ccccc2)CC1	ZINC000347964769	428632059	/nfs/dbraw/zinc/63/20/59/428632059.db2.gz	KWYLXOSKIIUDQP-UXBLZVDNSA-N	0	3	300.446	2.910	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCN(C2CCCC2)CC1	ZINC000358700972	428632839	/nfs/dbraw/zinc/63/28/39/428632839.db2.gz	XUHWTCUSGMVBEX-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCOCCCN1CCN(Cc2ccc(OCC)cc2)CC1	ZINC000347971509	428633676	/nfs/dbraw/zinc/63/36/76/428633676.db2.gz	NMZXBFIHNFSXSP-UHFFFAOYSA-N	0	3	318.461	2.796	20	30		DFEDHN
CC(C)NC(=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1	ZINC000344392453	428633790	/nfs/dbraw/zinc/63/37/90/428633790.db2.gz	QUFQLYBEHRZXPT-HOCLYGCPSA-N	0	3	317.408	2.870	20	30		DFEDHN
C=CCOCCCN(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000348059652	428636860	/nfs/dbraw/zinc/63/68/60/428636860.db2.gz	WKIILFAEFLZVDL-MRXNPFEDSA-N	0	3	324.490	2.646	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000358711119	428636923	/nfs/dbraw/zinc/63/69/23/428636923.db2.gz	QFEGVTLKDIAHOU-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1	ZINC000348128208	428639393	/nfs/dbraw/zinc/63/93/93/428639393.db2.gz	XJZRQMKIUBOUIG-YESZJQIVSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCOCCCN[C@@H](CO)c1ccc(Br)cc1	ZINC000348041138	428636429	/nfs/dbraw/zinc/63/64/29/428636429.db2.gz	WHVXFKYHQBLECO-AWEZNQCLSA-N	0	3	314.223	2.665	20	30		DFEDHN
C[C@@H](Cn1cccn1)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000267374138	274232203	/nfs/dbraw/zinc/23/22/03/274232203.db2.gz	KWWKCGZRIINPJH-ZDUSSCGKSA-N	0	3	307.319	2.932	20	30		DFEDHN
N#CC1(CCCN2CCC[C@@H](c3ccncn3)C2)CCOCC1	ZINC000374102059	428663929	/nfs/dbraw/zinc/66/39/29/428663929.db2.gz	OEQMKYRHQMMULS-MRXNPFEDSA-N	0	3	314.433	2.757	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H]2CC[C@H](CO)O2)cc1Cl	ZINC000353702076	428665303	/nfs/dbraw/zinc/66/53/03/428665303.db2.gz	HXBFLVVSRSIKRZ-ZIAGYGMSSA-N	0	3	311.809	2.534	20	30		DFEDHN
Cc1csc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000348212426	428660810	/nfs/dbraw/zinc/66/08/10/428660810.db2.gz	WNBAAZMRCASOFL-SWLSCSKDSA-N	0	3	324.409	2.883	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@H](c3nc[nH]n3)C2)cc1	ZINC000374547659	428696517	/nfs/dbraw/zinc/69/65/17/428696517.db2.gz	HJTWHVCAGRCKLA-AWEZNQCLSA-N	0	3	300.793	2.689	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccc(C)cc2C)C1	ZINC000348304255	428700839	/nfs/dbraw/zinc/70/08/39/428700839.db2.gz	GSSKEEPFIKPLEQ-QGZVFWFLSA-N	0	3	313.445	2.855	20	30		DFEDHN
C=CCn1c(SC[C@@H](C)N(C)C)nc2ccccc2c1=O	ZINC000358853302	428706760	/nfs/dbraw/zinc/70/67/60/428706760.db2.gz	LXFSLBZWVAFWSH-GFCCVEGCSA-N	0	3	303.431	2.625	20	30		DFEDHN
C=C[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000353776523	428708674	/nfs/dbraw/zinc/70/86/74/428708674.db2.gz	RPGMXIAURKOAGB-DZGCQCFKSA-N	0	3	308.372	2.835	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348468266	428752357	/nfs/dbraw/zinc/75/23/57/428752357.db2.gz	XNBQVVYQISDMFM-OLZOCXBDSA-N	0	3	309.291	2.698	20	30		DFEDHN
CC(C)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348483997	428756644	/nfs/dbraw/zinc/75/66/44/428756644.db2.gz	KMHGMDMCZTVGQN-KBPBESRZSA-N	0	3	323.318	2.944	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000411256345	428767192	/nfs/dbraw/zinc/76/71/92/428767192.db2.gz	IEDFWVYFMMXIFB-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C	ZINC000348529525	428771710	/nfs/dbraw/zinc/77/17/10/428771710.db2.gz	FQQCIOQOOFQQAK-SPYBWZPUSA-N	0	3	316.445	2.954	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1cccc(C#N)c1	ZINC000348529048	428772301	/nfs/dbraw/zinc/77/23/01/428772301.db2.gz	JNCWWTKEARBGPQ-GDLCADMTSA-N	0	3	323.343	2.635	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N(CCC)C[C@@H]1CCCCO1	ZINC000411365083	428782418	/nfs/dbraw/zinc/78/24/18/428782418.db2.gz	GYWOBSQLESGDLJ-SJORKVTESA-N	0	3	308.466	2.857	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N(CCC)C[C@H]1CCCCO1	ZINC000411364828	428782602	/nfs/dbraw/zinc/78/26/02/428782602.db2.gz	GYWOBSQLESGDLJ-IAGOWNOFSA-N	0	3	308.466	2.857	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000411359083	428782900	/nfs/dbraw/zinc/78/29/00/428782900.db2.gz	XJFOCAOUWYGQFE-OAHLLOKOSA-N	0	3	311.429	2.980	20	30		DFEDHN
C=C(C)COc1cc(CN(C)[C@@H]2CCC[C@@H]2O)ccc1OC	ZINC000348554978	428785226	/nfs/dbraw/zinc/78/52/26/428785226.db2.gz	MXCGHXDRYSYWMR-CVEARBPZSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](CC)O1)C(C)C	ZINC000362519519	428785633	/nfs/dbraw/zinc/78/56/33/428785633.db2.gz	AWXLZTXWVXSXTA-GVDBMIGSSA-N	0	3	308.466	2.759	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000362656522	428796663	/nfs/dbraw/zinc/79/66/63/428796663.db2.gz	RGXBDOSWOPPHGV-RHSMWYFYSA-N	0	3	317.433	2.706	20	30		DFEDHN
CCN1CCC(N(C(=O)c2ccc(F)c(C#N)c2)C2CC2)CC1	ZINC000375190208	428819887	/nfs/dbraw/zinc/81/98/87/428819887.db2.gz	DXAKRUIKBMUITE-UHFFFAOYSA-N	0	3	315.392	2.786	20	30		DFEDHN
C[C@H]1CN(CC(C)(C)O)CCN1CCC1(C#N)CCCCC1	ZINC000411599352	428823399	/nfs/dbraw/zinc/82/33/99/428823399.db2.gz	BYPAKUNRKCBVOQ-INIZCTEOSA-N	0	3	307.482	2.628	20	30		DFEDHN
CCCCCN(CCO)C(=O)C(C#N)CCc1ccccc1	ZINC000362966264	428825569	/nfs/dbraw/zinc/82/55/69/428825569.db2.gz	KDPNYKAKFWRNOW-KRWDZBQOSA-N	0	3	302.418	2.770	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)c(F)c1	ZINC000411641098	428830894	/nfs/dbraw/zinc/83/08/94/428830894.db2.gz	LMNSVMHGAYRHJF-UHFFFAOYSA-N	0	3	308.397	2.552	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000363352086	428909487	/nfs/dbraw/zinc/90/94/87/428909487.db2.gz	LCYMCDVOPZXWRS-INIZCTEOSA-N	0	3	313.445	2.704	20	30		DFEDHN
Cc1n[nH]cc1C1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000375333003	428855732	/nfs/dbraw/zinc/85/57/32/428855732.db2.gz	DQRJTNYNPJMXCG-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)NCCCCC#N)cc1	ZINC000417517560	428866515	/nfs/dbraw/zinc/86/65/15/428866515.db2.gz	QQILMBYVMLWSLU-INIZCTEOSA-N	0	3	302.422	2.803	20	30		DFEDHN
CN1CCC[C@H](CNc2cnc(C#N)cn2)[C@H]1c1ccccc1	ZINC000375384810	428868458	/nfs/dbraw/zinc/86/84/58/428868458.db2.gz	RJLGNCPIINEZJP-CRAIPNDOSA-N	0	3	307.401	2.843	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000359253928	428888142	/nfs/dbraw/zinc/88/81/42/428888142.db2.gz	OUXSGOFTGNMTOA-MRXNPFEDSA-N	0	3	317.481	2.726	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000363288432	428899415	/nfs/dbraw/zinc/89/94/15/428899415.db2.gz	IOIDPDLPOCKTME-SJLPKXTDSA-N	0	3	313.445	2.610	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	ZINC000412088607	428948035	/nfs/dbraw/zinc/94/80/35/428948035.db2.gz	XPOLMRYQQQTAJA-ZNMIVQPWSA-N	0	3	323.481	2.566	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ccc(C#N)s1	ZINC000420801243	428963574	/nfs/dbraw/zinc/96/35/74/428963574.db2.gz	KCCCDSBFXVRFGS-STQMWFEESA-N	0	3	320.462	2.539	20	30		DFEDHN
N#Cc1ncn(C2CCN(Cc3ccc4ccccc4n3)CC2)n1	ZINC000375917914	429016795	/nfs/dbraw/zinc/01/67/95/429016795.db2.gz	DAOCQYHKNYOXIW-UHFFFAOYSA-N	0	3	318.384	2.535	20	30		DFEDHN
N#Cc1ncn(C2CCN(CCc3ccccc3Cl)CC2)n1	ZINC000375921571	429019321	/nfs/dbraw/zinc/01/93/21/429019321.db2.gz	RLLWIVSDBGHRBZ-UHFFFAOYSA-N	0	3	315.808	2.683	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)c1ccco1	ZINC000355089946	429027709	/nfs/dbraw/zinc/02/77/09/429027709.db2.gz	JZBUPTZMBDURCJ-ZQDZILKHSA-N	0	3	318.421	2.700	20	30		DFEDHN
Cc1cc(C(C#N)=C([O-])c2ccnc3ccncc32)nc(C)n1	ZINC000355083754	429028075	/nfs/dbraw/zinc/02/80/75/429028075.db2.gz	UGODYHRYYRRTQB-ZDUSSCGKSA-N	0	3	303.325	2.527	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc3ccncc32)nc(C)n1	ZINC000355083754	429028078	/nfs/dbraw/zinc/02/80/78/429028078.db2.gz	UGODYHRYYRRTQB-ZDUSSCGKSA-N	0	3	303.325	2.527	20	30		DFEDHN
CCCc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1	ZINC000355103983	429029407	/nfs/dbraw/zinc/02/94/07/429029407.db2.gz	UAVPBFZTGZNQCT-OAHLLOKOSA-N	0	3	323.400	2.842	20	30		DFEDHN
CCCc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1	ZINC000355103983	429029410	/nfs/dbraw/zinc/02/94/10/429029410.db2.gz	UAVPBFZTGZNQCT-OAHLLOKOSA-N	0	3	323.400	2.842	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1	ZINC000433415179	429031791	/nfs/dbraw/zinc/03/17/91/429031791.db2.gz	QUGDOBYOIZFPDF-JKSUJKDBSA-N	0	3	311.470	2.531	20	30		DFEDHN
CCCN1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000363719548	428977617	/nfs/dbraw/zinc/97/76/17/428977617.db2.gz	CFOVLLILSACNIX-UHFFFAOYSA-N	0	3	300.406	2.816	20	30		DFEDHN
C=CCNC(=O)CN(CCC)[C@H]1C[C@@H](OCC)C12CCCC2	ZINC000354417662	428980213	/nfs/dbraw/zinc/98/02/13/428980213.db2.gz	BLUFOOZMQHHSCA-JKSUJKDBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000421103234	428981351	/nfs/dbraw/zinc/98/13/51/428981351.db2.gz	VOGHINSNQMOSLT-AWEZNQCLSA-N	0	3	317.437	2.673	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccnc1	ZINC000349429584	428988669	/nfs/dbraw/zinc/98/86/69/428988669.db2.gz	QVLYOBLUADEJPT-DYVFJYSZSA-N	0	3	304.353	2.513	20	30		DFEDHN
CC(C)c1noc(CCCNCc2ccc(C#N)c(F)c2)n1	ZINC000421329256	428988899	/nfs/dbraw/zinc/98/88/99/428988899.db2.gz	VAMQVPCJNMQNGS-UHFFFAOYSA-N	0	3	302.353	2.926	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](NCc1ccc(C#N)c(F)c1)CC2	ZINC000421328837	428988961	/nfs/dbraw/zinc/98/89/61/428988961.db2.gz	UHWOSEMYSNQQKL-CQSZACIVSA-N	0	3	313.380	2.517	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H]1CC(=O)N(CCC)C1	ZINC000421354741	428990007	/nfs/dbraw/zinc/99/00/07/428990007.db2.gz	SKXVTRQNHKUDAQ-HNNXBMFYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](O)CC[C@@H]2C)ccc1OC	ZINC000421383552	428991108	/nfs/dbraw/zinc/99/11/08/428991108.db2.gz	ZHFQELYHQZJZBW-HOCLYGCPSA-N	0	3	305.418	2.995	20	30		DFEDHN
COCCn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21	ZINC000354479122	428991206	/nfs/dbraw/zinc/99/12/06/428991206.db2.gz	VXWPWMDRFUWWIY-CQSZACIVSA-N	0	3	320.352	2.568	20	30		DFEDHN
N#CC(C(=O)c1ccc(F)c(Br)c1)c1ccncn1	ZINC000354472612	428991970	/nfs/dbraw/zinc/99/19/70/428991970.db2.gz	URPHVENUFXWYRX-VIFPVBQESA-N	0	3	320.121	2.868	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1C[C@H](OC)C12CCC2	ZINC000451850331	428997888	/nfs/dbraw/zinc/99/78/88/428997888.db2.gz	LNJJCQGICFZYPX-SJORKVTESA-N	0	3	300.402	2.956	20	30		DFEDHN
C[C@@H]1COCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000433142845	429000515	/nfs/dbraw/zinc/00/05/15/429000515.db2.gz	FUXWBUAFJRWRGW-QMTHXVAHSA-N	0	3	309.207	2.835	20	30		DFEDHN
CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cccc(OC)c1	ZINC000424100739	429091614	/nfs/dbraw/zinc/09/16/14/429091614.db2.gz	XSUMDQAATKRKRQ-BBRMVZONSA-N	0	3	303.406	2.626	20	30		DFEDHN
CCCOc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424097945	429091784	/nfs/dbraw/zinc/09/17/84/429091784.db2.gz	KGALFDWKJSNOOE-XJKSGUPXSA-N	0	3	303.406	2.674	20	30		DFEDHN
CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cccc(OC)c1	ZINC000424100743	429091803	/nfs/dbraw/zinc/09/18/03/429091803.db2.gz	XSUMDQAATKRKRQ-CJNGLKHVSA-N	0	3	303.406	2.626	20	30		DFEDHN
CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@H](N)CCCC#N)CC1	ZINC000424120387	429094724	/nfs/dbraw/zinc/09/47/24/429094724.db2.gz	HAKWKAXIUJSTNJ-BHUNQDJPSA-N	0	3	321.465	2.594	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H](N)CCCC#N	ZINC000424124998	429094961	/nfs/dbraw/zinc/09/49/61/429094961.db2.gz	NEZZXHFVAGXRTR-IAGOWNOFSA-N	0	3	301.434	2.877	20	30		DFEDHN
CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424130395	429095597	/nfs/dbraw/zinc/09/55/97/429095597.db2.gz	ZFPXZSCRRHNTRB-LSDHHAIUSA-N	0	3	309.360	2.943	20	30		DFEDHN
COC1([C@H](C)N[C@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000421862156	429040978	/nfs/dbraw/zinc/04/09/78/429040978.db2.gz	IYOXTIOYNLXCPR-OLZOCXBDSA-N	0	3	306.381	2.932	20	30		DFEDHN
C=CCOc1ccc(CN(CCO)[C@H]2CCCSC2)cc1	ZINC000355486396	429048811	/nfs/dbraw/zinc/04/88/11/429048811.db2.gz	OCQUFEJXEXAZJM-INIZCTEOSA-N	0	3	307.459	2.941	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@H]2CCN(C(C)C)C2)c1C	ZINC000452114062	429060055	/nfs/dbraw/zinc/06/00/55/429060055.db2.gz	JITQWTGUXACPSN-KRWDZBQOSA-N	0	3	317.477	2.888	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1NC1CC1	ZINC000424131772	429097136	/nfs/dbraw/zinc/09/71/36/429097136.db2.gz	JTDAUKXLPDTLLF-GFCCVEGCSA-N	0	3	306.797	2.874	20	30		DFEDHN
N#Cc1ccc(OCCN2CCCC[C@H]2Cn2cccn2)cc1	ZINC000376215511	429077310	/nfs/dbraw/zinc/07/73/10/429077310.db2.gz	IUGMFQPQHWCFQE-KRWDZBQOSA-N	0	3	310.401	2.688	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccccc1OCC(F)(F)F	ZINC000424072734	429087619	/nfs/dbraw/zinc/08/76/19/429087619.db2.gz	YWTAIGIDZXZJCP-JTQLQIEISA-N	0	3	315.295	2.587	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1	ZINC000424483291	429144724	/nfs/dbraw/zinc/14/47/24/429144724.db2.gz	XDPYTWNKLJODIT-VHSSKADRSA-N	0	3	322.412	2.831	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000424503004	429146241	/nfs/dbraw/zinc/14/62/41/429146241.db2.gz	SCSHSTBKPGIABT-SJORKVTESA-N	0	3	318.417	2.547	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453424142	429150898	/nfs/dbraw/zinc/15/08/98/429150898.db2.gz	HRULRHTWEMECIP-CABCVRRESA-N	0	3	305.470	2.898	20	30		DFEDHN
Cc1ccc(C[C@@H](CO)NCc2cc(C#N)cs2)cc1C	ZINC000453617453	429153675	/nfs/dbraw/zinc/15/36/75/429153675.db2.gz	GXLALJSUMCJSRP-INIZCTEOSA-N	0	3	300.427	2.930	20	30		DFEDHN
Cc1ccc(C[C@H](CO)NCc2ccc(C#N)s2)cc1C	ZINC000453627785	429154778	/nfs/dbraw/zinc/15/47/78/429154778.db2.gz	MUDLNWRKRBRVOT-OAHLLOKOSA-N	0	3	300.427	2.930	20	30		DFEDHN
C[C@@H]1CC[C@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000453638115	429155753	/nfs/dbraw/zinc/15/57/53/429155753.db2.gz	ZFAHDQCHENXGCE-CXAGYDPISA-N	0	3	310.401	2.616	20	30		DFEDHN
Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H](N)CCCC#N	ZINC000424178995	429107062	/nfs/dbraw/zinc/10/70/62/429107062.db2.gz	XXTAOWYCZIHCRP-QGZVFWFLSA-N	0	3	322.412	2.941	20	30		DFEDHN
C=CCC1(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)CCCCC1	ZINC000452448498	429116197	/nfs/dbraw/zinc/11/61/97/429116197.db2.gz	WEZKFEMFCRDFNC-DLBZAZTESA-N	0	3	320.477	2.835	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@@]3(CCCCO3)C2)cc1	ZINC000376468724	429117865	/nfs/dbraw/zinc/11/78/65/429117865.db2.gz	MQZQOYZELCHSBF-ROUUACIJSA-N	0	3	300.402	2.627	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424300687	429123709	/nfs/dbraw/zinc/12/37/09/429123709.db2.gz	YNUBVNJAPPNKPZ-FSPWUOQZSA-N	0	3	312.417	2.755	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCC2(F)F)cc1	ZINC000452834236	429139540	/nfs/dbraw/zinc/13/95/40/429139540.db2.gz	WQJQTJRCTIWEFG-CABCVRRESA-N	0	3	317.339	2.792	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(OCC)CCCC2)CC1	ZINC000454455393	429166052	/nfs/dbraw/zinc/16/60/52/429166052.db2.gz	BYCUXHOBYOFSCV-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
Cc1nc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C#N	ZINC000488109036	429176370	/nfs/dbraw/zinc/17/63/70/429176370.db2.gz	TXMSUENOIUEFOA-MAUKXSAKSA-N	0	3	306.413	3.509	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000454961553	429176945	/nfs/dbraw/zinc/17/69/45/429176945.db2.gz	ONIQPWASGLWEKO-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
Cc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1C#N	ZINC000488131026	429177195	/nfs/dbraw/zinc/17/71/95/429177195.db2.gz	GHNIXXLKVUFKHG-MJGOQNOKSA-N	0	3	323.440	2.842	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000488557606	429184310	/nfs/dbraw/zinc/18/43/10/429184310.db2.gz	LMLRUIRPDKMCIG-GOSISDBHSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CNC(=O)N[C@H](CCN(C)CCOC)c1ccccc1	ZINC000488570500	429185868	/nfs/dbraw/zinc/18/58/68/429185868.db2.gz	VMUQRVNNQOBNKI-QGZVFWFLSA-N	0	3	319.449	2.571	20	30		DFEDHN
N#Cc1cc(Cl)ccc1CN1CCC[C@@H](c2nc[nH]n2)C1	ZINC000364338690	429186403	/nfs/dbraw/zinc/18/64/03/429186403.db2.gz	BMBPRQMMUBPZFC-GFCCVEGCSA-N	0	3	301.781	2.709	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2nccc(C#N)c2Cl)C[C@@H](C)C1	ZINC000488754417	429194402	/nfs/dbraw/zinc/19/44/02/429194402.db2.gz	UWGWHCUMZXKKQO-OBJOEFQTSA-N	0	3	304.825	2.773	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455750712	429207223	/nfs/dbraw/zinc/20/72/23/429207223.db2.gz	HBJYAIBVBPBUOQ-LLVKDONJSA-N	0	3	321.812	2.603	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1	ZINC000439688304	429220406	/nfs/dbraw/zinc/22/04/06/429220406.db2.gz	QAQGOBQUAKYPHM-ZDUSSCGKSA-N	0	3	305.447	2.860	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc(CC#N)c1	ZINC000455908867	429224438	/nfs/dbraw/zinc/22/44/38/429224438.db2.gz	RMHJTEYAZBLGHE-MRXNPFEDSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455917938	429224823	/nfs/dbraw/zinc/22/48/23/429224823.db2.gz	KNRUSVZMCFFANU-LSDHHAIUSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC1CCC(C#N)CC1	ZINC000441042107	429229287	/nfs/dbraw/zinc/22/92/87/429229287.db2.gz	UCUUZTUWPHNRGW-RYTJFDOTSA-N	0	3	320.481	2.878	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)NCC1CCC(C#N)CC1	ZINC000441022147	429229937	/nfs/dbraw/zinc/22/99/37/429229937.db2.gz	LZUWMDMALFLTQE-UYSNPLJNSA-N	0	3	308.470	2.592	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455699703	429200195	/nfs/dbraw/zinc/20/01/95/429200195.db2.gz	HQZWNWQJCCSKIU-LBPRGKRZSA-N	0	3	306.797	2.622	20	30		DFEDHN
C=CCOCC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000489370395	429234566	/nfs/dbraw/zinc/23/45/66/429234566.db2.gz	PVMQDMZFDMSHDM-UHFFFAOYSA-N	0	3	318.417	2.692	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000456074502	429238413	/nfs/dbraw/zinc/23/84/13/429238413.db2.gz	WSCVFUAKUXCMCP-UHFFFAOYSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COCc1ccc(OC)cc1	ZINC000489439693	429243030	/nfs/dbraw/zinc/24/30/30/429243030.db2.gz	ZLXOQBRQONJUTK-IRXDYDNUSA-N	0	3	305.418	2.613	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1OC	ZINC000489448187	429243227	/nfs/dbraw/zinc/24/32/27/429243227.db2.gz	RAQRSQDZVSOPIC-DLBZAZTESA-N	0	3	305.418	2.613	20	30		DFEDHN
Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c(C#N)cn1	ZINC000425255140	429252812	/nfs/dbraw/zinc/25/28/12/429252812.db2.gz	MRPUDHZLOBASQI-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
C[C@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000425269360	429253895	/nfs/dbraw/zinc/25/38/95/429253895.db2.gz	QXAYMWGGHJCFJF-CYBMUJFWSA-N	0	3	314.389	2.777	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443521034	429254340	/nfs/dbraw/zinc/25/43/40/429254340.db2.gz	UBESCBLUCLWEAH-GWCFXTLKSA-N	0	3	312.339	2.748	20	30		DFEDHN
CC(C)[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443514043	429254496	/nfs/dbraw/zinc/25/44/96/429254496.db2.gz	XDCJDEUXQYPCTA-ZDUSSCGKSA-N	0	3	312.339	2.748	20	30		DFEDHN
Cc1nccnc1[C@@H](C)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000364733272	429256956	/nfs/dbraw/zinc/25/69/56/429256956.db2.gz	JCMXTHABEYZYPU-NVXWUHKLSA-N	0	3	321.428	2.976	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)c(C)c1)C2	ZINC000443998043	429262480	/nfs/dbraw/zinc/26/24/80/429262480.db2.gz	ZILULQRWQKFLNP-QGZVFWFLSA-N	0	3	308.381	2.969	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)NC(=O)NC(C)(C)C)CCCC1(C)C	ZINC000444795140	429276107	/nfs/dbraw/zinc/27/61/07/429276107.db2.gz	XIROZDKYDNKJGK-CYBMUJFWSA-N	0	3	309.454	2.677	20	30		DFEDHN
C=CCC1(C(=O)N(C)CCCN2CCN(C)CC2)CCCCC1	ZINC000448956377	429322116	/nfs/dbraw/zinc/32/21/16/429322116.db2.gz	ZSFQBPNYIJODOD-UHFFFAOYSA-N	0	3	321.509	2.609	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000491096230	429323861	/nfs/dbraw/zinc/32/38/61/429323861.db2.gz	QKWRSZWEFJNJEW-ZBFHGGJFSA-N	0	3	320.383	2.624	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1	ZINC000491101110	429325161	/nfs/dbraw/zinc/32/51/61/429325161.db2.gz	IUYSBNYWGFFZQV-QGZVFWFLSA-N	0	3	316.832	2.789	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]2(CCOC2)C1	ZINC000456699006	429338439	/nfs/dbraw/zinc/33/84/39/429338439.db2.gz	SCQVSPJLZNNPEU-IEBWSBKVSA-N	0	3	312.413	2.788	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000491265937	429341306	/nfs/dbraw/zinc/34/13/06/429341306.db2.gz	NGBVXZNMOVHYGA-LSDHHAIUSA-N	0	3	304.821	2.515	20	30		DFEDHN
CC[C@H]1CN(CC)CCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456369781	429290038	/nfs/dbraw/zinc/29/00/38/429290038.db2.gz	GBCXGLJPEVIFOW-MSOLQXFVSA-N	0	3	313.445	2.702	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	ZINC000490575213	429295100	/nfs/dbraw/zinc/29/51/00/429295100.db2.gz	ONDTZYBVWLXGDX-KBAYOESNSA-N	0	3	302.462	2.807	20	30		DFEDHN
CO[C@H](CN1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1	ZINC000425458134	429301520	/nfs/dbraw/zinc/30/15/20/429301520.db2.gz	LUTBTOZGRGZWLU-GOSISDBHSA-N	0	3	318.392	2.966	20	30		DFEDHN
C=CCC[C@@H](O)CNC1(c2cccc(OC)c2F)CCOCC1	ZINC000447363385	429304052	/nfs/dbraw/zinc/30/40/52/429304052.db2.gz	KHOGJSVHDLJOJO-CQSZACIVSA-N	0	3	323.408	2.757	20	30		DFEDHN
C=C(CNCCN1C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000447823557	429307671	/nfs/dbraw/zinc/30/76/71/429307671.db2.gz	VFUDDUOYZFXXBQ-UHFFFAOYSA-N	0	3	306.365	2.586	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCC[C@@H](C)C2)cc1	ZINC000448712251	429316147	/nfs/dbraw/zinc/31/61/47/429316147.db2.gz	XXBCYQRLHGACCO-MRXNPFEDSA-N	0	3	316.445	2.642	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1	ZINC000491704451	429393409	/nfs/dbraw/zinc/39/34/09/429393409.db2.gz	HNPPLHGRTQSMNG-CVEARBPZSA-N	0	3	304.821	2.515	20	30		DFEDHN
C#C[C@@H](NC(=O)N[C@H]1CCN(CC)C1)c1ccc(Cl)cc1F	ZINC000491703722	429393672	/nfs/dbraw/zinc/39/36/72/429393672.db2.gz	JWHUCLLEGMVHMX-SWLSCSKDSA-N	0	3	323.799	2.547	20	30		DFEDHN
COc1nccc(CNC2CCC(C#N)(c3ccccc3)CC2)n1	ZINC000449378996	429401964	/nfs/dbraw/zinc/40/19/64/429401964.db2.gz	SBSJAXAMGMXQIF-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
C#C[C@H](NC1CCN(c2cnccn2)CC1)c1ccc(F)cc1	ZINC000491773415	429406105	/nfs/dbraw/zinc/40/61/05/429406105.db2.gz	RQPCSZUWJNQGLG-KRWDZBQOSA-N	0	3	310.376	2.549	20	30		DFEDHN
CN1CCC(Oc2ccc(Cl)cc2NC(=O)CC#N)CC1	ZINC000456787070	429348577	/nfs/dbraw/zinc/34/85/77/429348577.db2.gz	FZCABGWYFKPCES-UHFFFAOYSA-N	0	3	307.781	2.665	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000491350704	429349709	/nfs/dbraw/zinc/34/97/09/429349709.db2.gz	PMDQJEMYUFNYMW-ZFWWWQNUSA-N	0	3	307.463	2.794	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCCCCC1	ZINC000456834939	429353239	/nfs/dbraw/zinc/35/32/39/429353239.db2.gz	KDNOJFDMFRBWCC-ZDUSSCGKSA-N	0	3	303.381	2.578	20	30		DFEDHN
C=C(CC)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000456831531	429353745	/nfs/dbraw/zinc/35/37/45/429353745.db2.gz	UYIXABZSWMXIQL-UHFFFAOYSA-N	0	3	316.445	2.587	20	30		DFEDHN
C#C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)C(C)C	ZINC000491483398	429366005	/nfs/dbraw/zinc/36/60/05/429366005.db2.gz	BQCXQHMITPAPNX-YTQUADARSA-N	0	3	301.430	2.689	20	30		DFEDHN
Cc1cc(NC2CCN([C@H](C)c3ccncc3)CC2)cc(C#N)n1	ZINC000516052283	429379585	/nfs/dbraw/zinc/37/95/85/429379585.db2.gz	KCUVVZWCWKJIOQ-OAHLLOKOSA-N	0	3	321.428	2.716	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(-c3ncco3)c2C)CC1	ZINC000491620091	429379654	/nfs/dbraw/zinc/37/96/54/429379654.db2.gz	GQBZSAPRQLGAGP-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1	ZINC000457027940	429381011	/nfs/dbraw/zinc/38/10/11/429381011.db2.gz	JFEPTQQRCHIAIJ-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000491632208	429382363	/nfs/dbraw/zinc/38/23/63/429382363.db2.gz	QQKRFICIASQRLD-HUUCEWRRSA-N	0	3	319.474	2.623	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)C1CCCC1	ZINC000491656311	429386126	/nfs/dbraw/zinc/38/61/26/429386126.db2.gz	BGKCBKWCHVPLPI-KRWDZBQOSA-N	0	3	303.450	2.591	20	30		DFEDHN
C=CCCCS(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000427792100	429470558	/nfs/dbraw/zinc/47/05/58/429470558.db2.gz	YXPKOPFNHYUBIG-MRXNPFEDSA-N	0	3	320.458	2.767	20	30		DFEDHN
COc1cc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1C#N	ZINC000449553069	429448427	/nfs/dbraw/zinc/44/84/27/429448427.db2.gz	KVRSRFIXTXNNAI-HYVNUMGLSA-N	0	3	300.402	2.550	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1ccc(CC#N)cc1)N1CCCCC1	ZINC000519160719	429450256	/nfs/dbraw/zinc/45/02/56/429450256.db2.gz	QHTRZJZDCFRCAV-SFHVURJKSA-N	0	3	313.445	2.879	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/SCc2ccco2)CC1	ZINC000492104859	429467913	/nfs/dbraw/zinc/46/79/13/429467913.db2.gz	ARUXMLFNYDDMEF-MDWZMJQESA-N	0	3	318.442	2.630	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000457466160	429469871	/nfs/dbraw/zinc/46/98/71/429469871.db2.gz	BLMQYJJITDFNEV-MRXNPFEDSA-N	0	3	303.450	2.671	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000457466155	429469902	/nfs/dbraw/zinc/46/99/02/429469902.db2.gz	BLMQYJJITDFNEV-INIZCTEOSA-N	0	3	303.450	2.671	20	30		DFEDHN
CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C	ZINC000449492530	429433521	/nfs/dbraw/zinc/43/35/21/429433521.db2.gz	CCBKKNLQKPVJGZ-KSSFIOAISA-N	0	3	324.428	2.816	20	30		DFEDHN
CN(C)CCN(CC#Cc1ccc(F)cc1)Cc1ccccn1	ZINC000519756407	429485468	/nfs/dbraw/zinc/48/54/68/429485468.db2.gz	ARVVLCKEGPVFKO-UHFFFAOYSA-N	0	3	311.404	2.636	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000366664352	429490928	/nfs/dbraw/zinc/49/09/28/429490928.db2.gz	SCWCBLDAIQUYFQ-USXIJHARSA-N	0	3	300.402	2.812	20	30		DFEDHN
COc1cc(CNCC(C)(C)C2(O)CCCC2)ccc1C#N	ZINC000449740112	429493322	/nfs/dbraw/zinc/49/33/22/429493322.db2.gz	NJXPGGIZQXFPOP-UHFFFAOYSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(C(=O)C(C#N)CCc3ccccc3)C2)c1	ZINC000428150496	429494926	/nfs/dbraw/zinc/49/49/26/429494926.db2.gz	KIZIHYHEEFGALU-QZTJIDSGSA-N	0	3	322.412	2.738	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(C(=O)C(C#N)CCc3ccccc3)C2)c1	ZINC000428150499	429495079	/nfs/dbraw/zinc/49/50/79/429495079.db2.gz	KIZIHYHEEFGALU-ZWKOTPCHSA-N	0	3	322.412	2.738	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CCCO)C2)cc1OC	ZINC000449790415	429512068	/nfs/dbraw/zinc/51/20/68/429512068.db2.gz	KUCOXBOLHHKBIT-OAHLLOKOSA-N	0	3	305.418	2.854	20	30		DFEDHN
Cc1nc(CN(C)[C@H]2CCN(CCCCC(C)(C)C#N)C2)no1	ZINC000366791522	429514179	/nfs/dbraw/zinc/51/41/79/429514179.db2.gz	MDTBYPZUHQTFBM-HNNXBMFYSA-N	0	3	319.453	2.604	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C\c1ccc(C#N)cc1	ZINC000492340902	429516227	/nfs/dbraw/zinc/51/62/27/429516227.db2.gz	QXWBTOHZAIUROD-CDNLZTBQSA-N	0	3	311.429	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]1C1CC1)C(C)C	ZINC000457759113	429521401	/nfs/dbraw/zinc/52/14/01/429521401.db2.gz	VOPHENBDAJJVRE-DLBZAZTESA-N	0	3	305.466	2.879	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1[C@H]1CCCO1	ZINC000366969515	429550063	/nfs/dbraw/zinc/55/00/63/429550063.db2.gz	MCHXMGHJECXKAD-UONOGXRCSA-N	0	3	319.430	2.592	20	30		DFEDHN
CCCN(CC(C)(C)O)C(=O)C(C#N)CCc1ccccc1	ZINC000450086430	429566581	/nfs/dbraw/zinc/56/65/81/429566581.db2.gz	MZVUFRGVNLGGSE-MRXNPFEDSA-N	0	3	302.418	2.768	20	30		DFEDHN
CCN1CCC[C@H]1CNc1nc2cc(Cl)ccn2c1C#N	ZINC000450217539	429581755	/nfs/dbraw/zinc/58/17/55/429581755.db2.gz	QSTBZXYYYYKURX-LBPRGKRZSA-N	0	3	303.797	2.756	20	30		DFEDHN
C=CCC1(C(=O)NCCCCN2CCN(CC)CC2)CCCC1	ZINC000449882139	429531668	/nfs/dbraw/zinc/53/16/68/429531668.db2.gz	VFWBVMXQGJSJRP-UHFFFAOYSA-N	0	3	321.509	2.657	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000457817338	429534148	/nfs/dbraw/zinc/53/41/48/429534148.db2.gz	QVXCPKIWTXSZLV-QXDIGNSFSA-N	0	3	320.477	2.546	20	30		DFEDHN
C[C@H]1[C@@H](Nc2ncc(Br)cc2C#N)CCCN1C	ZINC000450440919	429628069	/nfs/dbraw/zinc/62/80/69/429628069.db2.gz	PXLPTTZUZMEUFR-CABZTGNLSA-N	0	3	309.211	2.610	20	30		DFEDHN
N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCNC(=O)CC1	ZINC000450453649	429629662	/nfs/dbraw/zinc/62/96/62/429629662.db2.gz	PXQYJPDCIGNLKH-CGTJXYLNSA-N	0	3	311.429	2.674	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OCC)C12CCCCC2	ZINC000429762928	429630127	/nfs/dbraw/zinc/63/01/27/429630127.db2.gz	RBSDMUDFOKBZFO-IRXDYDNUSA-N	0	3	320.477	2.905	20	30		DFEDHN
C[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000450541888	429643743	/nfs/dbraw/zinc/64/37/43/429643743.db2.gz	SBNXWXFNGSJLBK-CYBMUJFWSA-N	0	3	314.389	2.777	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(C(=O)c2ccncc2)CC1	ZINC000367221599	429600513	/nfs/dbraw/zinc/60/05/13/429600513.db2.gz	NPKXVHMESGGMHV-UHFFFAOYSA-N	0	3	314.433	2.559	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCCCC(C)(C)C#N)O1	ZINC000367226860	429601016	/nfs/dbraw/zinc/60/10/16/429601016.db2.gz	VLQYSERQMAQWHH-FPCVCCKLSA-N	0	3	322.449	2.890	20	30		DFEDHN
Cc1c([C@@H]2CCCN2CCOc2cccc(C#N)c2)cnn1C	ZINC000367271332	429609719	/nfs/dbraw/zinc/60/97/19/429609719.db2.gz	RKZSNBDLLDWIJC-SFHVURJKSA-N	0	3	310.401	2.816	20	30		DFEDHN
Cc1cccc(CN2CCC(Nc3ccnc(C#N)c3)CC2)c1	ZINC000367506963	429661879	/nfs/dbraw/zinc/66/18/79/429661879.db2.gz	IBGLQVQDGGTZOI-UHFFFAOYSA-N	0	3	306.413	2.760	20	30		DFEDHN
CCCN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCCO1	ZINC000093132381	276003166	/nfs/dbraw/zinc/00/31/66/276003166.db2.gz	MTTULUNOQUHEJN-KRWDZBQOSA-N	0	3	312.417	2.987	20	30		DFEDHN
N#Cc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000367557620	429670922	/nfs/dbraw/zinc/67/09/22/429670922.db2.gz	RPQVZPWCZWFCEZ-SFHVURJKSA-N	0	3	323.440	2.783	20	30		DFEDHN
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cnccn1	ZINC000525858692	429682824	/nfs/dbraw/zinc/68/28/24/429682824.db2.gz	QFYAKPKWWOCLFS-JEYLPNPQSA-N	0	3	323.400	2.784	20	30		DFEDHN
Cc1nsc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)c1C#N	ZINC000459572212	429699454	/nfs/dbraw/zinc/69/94/54/429699454.db2.gz	TYICZAUDLZAYRR-GFCCVEGCSA-N	0	3	321.450	2.565	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459346215	429695993	/nfs/dbraw/zinc/69/59/93/429695993.db2.gz	PVWJKUGOIPEKMZ-CABCVRRESA-N	0	3	314.389	2.525	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000450789479	429700138	/nfs/dbraw/zinc/70/01/38/429700138.db2.gz	FZLGRMUHKMSBCD-LZQZEXGQSA-N	0	3	311.429	2.707	20	30		DFEDHN
Cc1cc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)ccc1C#N	ZINC000459779129	429702323	/nfs/dbraw/zinc/70/23/23/429702323.db2.gz	PSMGOFVBCXMBCA-UHFFFAOYSA-N	0	3	323.440	2.637	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)o1	ZINC000460014313	429703424	/nfs/dbraw/zinc/70/34/24/429703424.db2.gz	BXCFDZRAEIXMMI-CQSZACIVSA-N	0	3	307.353	2.776	20	30		DFEDHN
Cc1ccc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)nc1C#N	ZINC000468726428	429710149	/nfs/dbraw/zinc/71/01/49/429710149.db2.gz	SCDZJXSWGNPDEK-NVXWUHKLSA-N	0	3	306.413	3.509	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@@H]1CCN(CC2(C#N)CCC2)C1	ZINC000450872488	429718561	/nfs/dbraw/zinc/71/85/61/429718561.db2.gz	IKONHKLPDNSYRK-HNNXBMFYSA-N	0	3	318.490	2.899	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H]1C[C@@H](OC)C1)C(C)C	ZINC000480513971	429721478	/nfs/dbraw/zinc/72/14/78/429721478.db2.gz	DVVJVOCPGDKNBC-BBWFWOEESA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCC(C)(C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000292308557	335087737	/nfs/dbraw/zinc/08/77/37/335087737.db2.gz	QOCDEDUXGYAQPU-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(C[C@@H]3CCC(F)(F)C3)C2)nc1	ZINC000451053538	429758729	/nfs/dbraw/zinc/75/87/29/429758729.db2.gz	DTOIBGIAIOURMD-OCCSQVGLSA-N	0	3	307.344	2.842	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN(C2CC2)C1	ZINC000493508710	429776897	/nfs/dbraw/zinc/77/68/97/429776897.db2.gz	APVXEUZLFWNVET-AJHXJQRKSA-N	0	3	309.413	2.514	20	30		DFEDHN
Cn1cc(-c2nc(CN[C@H]3CC[C@@H](CC#N)C3)cs2)cn1	ZINC000527713075	429783402	/nfs/dbraw/zinc/78/34/02/429783402.db2.gz	MTKVPDFSLCDSPA-AAEUAGOBSA-N	0	3	301.419	2.716	20	30		DFEDHN
Cc1ccnc(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000368327305	429831896	/nfs/dbraw/zinc/83/18/96/429831896.db2.gz	KFEPXUHUXMLWQC-SFHVURJKSA-N	0	3	322.412	2.570	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccc(F)c(F)c2)CC1	ZINC000493823064	429836230	/nfs/dbraw/zinc/83/62/30/429836230.db2.gz	NSJLVTNIFYJSHD-FNORWQNLSA-N	0	3	318.367	2.582	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1	ZINC000494208701	429860297	/nfs/dbraw/zinc/86/02/97/429860297.db2.gz	MUTCUBIKHMGUMU-KRWDZBQOSA-N	0	3	301.434	2.998	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCN2C2CCCC2)nc2ccccc12	ZINC000528210398	429861933	/nfs/dbraw/zinc/86/19/33/429861933.db2.gz	PDYPMJYYKXFGHB-INIZCTEOSA-N	0	3	306.413	3.535	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=Nn1cnnc1	ZINC000494297651	429865968	/nfs/dbraw/zinc/86/59/68/429865968.db2.gz	DXRSKSOSEVKLEO-TZMCWYRMSA-N	0	3	319.409	2.682	20	30		DFEDHN
Cc1cnn([C@H]2CCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)c1	ZINC000368213812	429810313	/nfs/dbraw/zinc/81/03/13/429810313.db2.gz	CPICATOBVISABU-WBVHZDCISA-N	0	3	310.401	2.929	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@H](O)COc1ccccc1C#N	ZINC000528393093	429884169	/nfs/dbraw/zinc/88/41/69/429884169.db2.gz	URVYFEFNZFINLK-KXBFYZLASA-N	0	3	322.408	2.745	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC=C(c3c[nH]c4ncccc34)CC2)CC1	ZINC000528405303	429885936	/nfs/dbraw/zinc/88/59/36/429885936.db2.gz	NCCREBOGWIFWIG-OAHLLOKOSA-N	0	3	322.412	2.707	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@@]3(C2)OCc2ccccc23)CC1	ZINC000528460620	429890405	/nfs/dbraw/zinc/89/04/05/429890405.db2.gz	ZKFDTRCSOICYTL-APWZRJJASA-N	0	3	312.413	2.563	20	30		DFEDHN
Cc1ccc(NC(=O)Cc2ccc(C#N)nc2)c(CN(C)C)c1	ZINC000528569347	429899859	/nfs/dbraw/zinc/89/98/59/429899859.db2.gz	YYPQASCWOIUFAZ-UHFFFAOYSA-N	0	3	308.385	2.505	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@H](C)C1(F)F	ZINC000528583257	429900988	/nfs/dbraw/zinc/90/09/88/429900988.db2.gz	PJWSVMPIVRKCQD-GUTXKFCHSA-N	0	3	324.371	2.521	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](C)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC000369201445	429919093	/nfs/dbraw/zinc/91/90/93/429919093.db2.gz	AHTUXXZUTFCZMV-JLSDUUJJSA-N	0	3	314.429	2.865	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000451696994	429872674	/nfs/dbraw/zinc/87/26/74/429872674.db2.gz	BRAQTYPFIXAFKF-NSISKUIASA-N	0	3	323.440	2.661	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1	ZINC000451701443	429874273	/nfs/dbraw/zinc/87/42/73/429874273.db2.gz	QIKBRVZTZDLNGX-HLLBOEOZSA-N	0	3	300.402	2.550	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1	ZINC000451701442	429875304	/nfs/dbraw/zinc/87/53/04/429875304.db2.gz	QIKBRVZTZDLNGX-BFYDXBDKSA-N	0	3	300.402	2.550	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CC#N)CC1	ZINC000573668793	429972105	/nfs/dbraw/zinc/97/21/05/429972105.db2.gz	RLDQXZKZGGGKGJ-QGZVFWFLSA-N	0	3	314.433	2.584	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1	ZINC000528917611	429933591	/nfs/dbraw/zinc/93/35/91/429933591.db2.gz	GLPKTPYKNNLVSL-ABNPOPBRSA-N	0	3	314.385	2.702	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000573207230	429934252	/nfs/dbraw/zinc/93/42/52/429934252.db2.gz	BSAINKVCERWSCN-RHSMWYFYSA-N	0	3	317.396	2.979	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1(C#N)CC1)N(C)C	ZINC000574355917	430035374	/nfs/dbraw/zinc/03/53/74/430035374.db2.gz	QSPACBNFLVCIIF-GOEBONIOSA-N	0	3	314.433	2.589	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@@H]2CC[C@H](C#N)C2)CC1	ZINC000559075128	429998060	/nfs/dbraw/zinc/99/80/60/429998060.db2.gz	LDUGTCFTZTUKQK-DLBZAZTESA-N	0	3	315.465	2.664	20	30		DFEDHN
CC[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N(CC)CC	ZINC000559258959	430001054	/nfs/dbraw/zinc/00/10/54/430001054.db2.gz	OROJAGBPFBYUES-OAHLLOKOSA-N	0	3	309.360	2.573	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000559316218	430003178	/nfs/dbraw/zinc/00/31/78/430003178.db2.gz	RDMOMDXOBIXAKQ-TUAOUCFPSA-N	0	3	321.371	2.714	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529978655	430092429	/nfs/dbraw/zinc/09/24/29/430092429.db2.gz	MADCIKUJCCTHFB-SSOQLKFYSA-N	0	3	300.402	2.687	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCCCCc1ccc([N+](=O)[O-])cc1	ZINC000562060854	430107422	/nfs/dbraw/zinc/10/74/22/430107422.db2.gz	OPIBLTPODZSZAG-HNNXBMFYSA-N	0	3	300.362	2.951	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccc(C#N)cn2)C1	ZINC000574529181	430049971	/nfs/dbraw/zinc/04/99/71/430049971.db2.gz	SRPKHJZQRNVZEO-KRWDZBQOSA-N	0	3	320.440	2.907	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCCCC1	ZINC000529718110	430059488	/nfs/dbraw/zinc/05/94/88/430059488.db2.gz	JMIJESAOSJQWHM-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
CC(C)[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCCO1	ZINC000581086120	430176891	/nfs/dbraw/zinc/17/68/91/430176891.db2.gz	RNPNODVPRZYTKV-AWEZNQCLSA-N	0	3	321.446	2.695	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCC[C@H]1C	ZINC000580154157	430130608	/nfs/dbraw/zinc/13/06/08/430130608.db2.gz	NRHGKQFDLMIDST-VKJFTORMSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NC[C@@H](C#N)CCC#N)CC1	ZINC000562450896	430132876	/nfs/dbraw/zinc/13/28/76/430132876.db2.gz	YXLDAASVHTWZED-JKSUJKDBSA-N	0	3	311.433	2.640	20	30		DFEDHN
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNCCCC#N	ZINC000580640703	430140288	/nfs/dbraw/zinc/14/02/88/430140288.db2.gz	WCZDTEMSMQLZEF-INIZCTEOSA-N	0	3	304.434	2.926	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2cnccn12	ZINC000580632635	430140522	/nfs/dbraw/zinc/14/05/22/430140522.db2.gz	XMQWLMCIXPJTHH-KRWDZBQOSA-N	0	3	303.369	2.768	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000580696035	430144648	/nfs/dbraw/zinc/14/46/48/430144648.db2.gz	UGENJOGZJOYFFJ-YJBOKZPZSA-N	0	3	303.450	2.699	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000563264829	430181743	/nfs/dbraw/zinc/18/17/43/430181743.db2.gz	SUEMUJGYPPWPTG-UHFFFAOYSA-N	0	3	303.450	2.964	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)nc1	ZINC000581140785	430183518	/nfs/dbraw/zinc/18/35/18/430183518.db2.gz	RHNVBKONUXDFBQ-MRXNPFEDSA-N	0	3	321.428	2.866	20	30		DFEDHN
CC(=O)c1ccc(NC(=O)CCN2CCC(CC#N)CC2)cc1	ZINC000541023735	430183596	/nfs/dbraw/zinc/18/35/96/430183596.db2.gz	GVKNYHMRGTZVPB-UHFFFAOYSA-N	0	3	313.401	2.843	20	30		DFEDHN
C[C@@H](CN(C)Cc1cnc2c(C#N)cnn2c1)c1ccccc1	ZINC000581192556	430185926	/nfs/dbraw/zinc/18/59/26/430185926.db2.gz	RHJJLAUVGCIYCD-AWEZNQCLSA-N	0	3	305.385	2.836	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC(NC[C@@H](C#N)CCC#N)CC2)cc1	ZINC000564847367	430200764	/nfs/dbraw/zinc/20/07/64/430200764.db2.gz	BTWCKUFVEORZMA-MRXNPFEDSA-N	0	3	324.428	2.633	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1OC	ZINC000564990500	430202887	/nfs/dbraw/zinc/20/28/87/430202887.db2.gz	LZJQHXQGZLWVQQ-CVEARBPZSA-N	0	3	303.402	2.871	20	30		DFEDHN
C[C@H](O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000541890698	430195831	/nfs/dbraw/zinc/19/58/31/430195831.db2.gz	ZZOBLQFPODBVFN-YOEHRIQHSA-N	0	3	324.428	2.552	20	30		DFEDHN
Cn1cc(CN2CCC(CCC#N)CC2)c(-c2ccncc2)n1	ZINC000564991185	430203258	/nfs/dbraw/zinc/20/32/58/430203258.db2.gz	ZZMKGLGUJDGYFD-UHFFFAOYSA-N	0	3	309.417	2.998	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000565698618	430222415	/nfs/dbraw/zinc/22/24/15/430222415.db2.gz	JBBGDWHNLFEWPK-KXBFYZLASA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000565698615	430223589	/nfs/dbraw/zinc/22/35/89/430223589.db2.gz	JBBGDWHNLFEWPK-BEFAXECRSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](c1ccccc1)[C@H](C)NCC(=O)NCc1cccc(C#N)c1	ZINC000543468071	430249806	/nfs/dbraw/zinc/24/98/06/430249806.db2.gz	ICZZONDJAUKVHL-HOTGVXAUSA-N	0	3	321.424	2.956	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccnc(C#N)n1	ZINC000566480156	430264633	/nfs/dbraw/zinc/26/46/33/430264633.db2.gz	ZTRDNRCNGMSKLN-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
N#CCCn1cc(CN2C[C@H]3CCC[C@H]32)c(-c2ccncc2)n1	ZINC000567060498	430276765	/nfs/dbraw/zinc/27/67/65/430276765.db2.gz	BZDDSPABSFZPAR-NVXWUHKLSA-N	0	3	307.401	2.843	20	30		DFEDHN
C[C@]12CN(CC(=O)NCc3cccc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1	ZINC000565816070	430229362	/nfs/dbraw/zinc/22/93/62/430229362.db2.gz	HDHNXSBFGXWBHE-DOADOZAASA-N	0	3	323.440	2.542	20	30		DFEDHN
C=C(C)COCCNC[C@H](O)COc1ccc2ccccc2c1	ZINC000567687352	430286189	/nfs/dbraw/zinc/28/61/89/430286189.db2.gz	AXERCSPVUUOCMH-SFHVURJKSA-N	0	3	315.413	2.762	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CC2(CCC2)[C@H]1C1CCOCC1	ZINC000567727769	430286802	/nfs/dbraw/zinc/28/68/02/430286802.db2.gz	ZRGIXBZCNWCHDN-GOSISDBHSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](CC(C)C)n2ccnc2)CC1	ZINC000635531694	430298330	/nfs/dbraw/zinc/29/83/30/430298330.db2.gz	VOKSGQUODZQDQI-QGZVFWFLSA-N	0	3	318.465	2.627	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000567990373	430301543	/nfs/dbraw/zinc/30/15/43/430301543.db2.gz	XODDJRPGGVEBCQ-CVEARBPZSA-N	0	3	314.389	2.525	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1c(Cl)cccc1Cl	ZINC000583626835	430413072	/nfs/dbraw/zinc/41/30/72/430413072.db2.gz	NFUQSQTVCSATND-SNVBAGLBSA-N	0	3	303.189	2.626	20	30		DFEDHN
CN1CCC[C@H](CNc2nccc(C#N)n2)[C@H]1c1ccccc1	ZINC000583005469	430354257	/nfs/dbraw/zinc/35/42/57/430354257.db2.gz	FVCIURCJNDGMKP-NVXWUHKLSA-N	0	3	307.401	2.843	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(C#N)cc1	ZINC000583480302	430399254	/nfs/dbraw/zinc/39/92/54/430399254.db2.gz	JMMAHTPPGCYCNT-HNNXBMFYSA-N	0	3	300.406	2.800	20	30		DFEDHN
Cc1cc(NC[C@@H](c2cccs2)N2CCCC2)c(C#N)cn1	ZINC000569716580	430480751	/nfs/dbraw/zinc/48/07/51/430480751.db2.gz	CIUZKIXIOQFJKK-INIZCTEOSA-N	0	3	312.442	2.994	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cn(C)nc1-c1cc2ccccc2o1	ZINC000641768533	430467037	/nfs/dbraw/zinc/46/70/37/430467037.db2.gz	BPPASAGQPUMSRW-MRXNPFEDSA-N	0	3	323.396	2.697	20	30		DFEDHN
CC(C)(O)CN(Cc1ccc(Cl)cc1C#N)C1CCOCC1	ZINC000548485652	430480110	/nfs/dbraw/zinc/48/01/10/430480110.db2.gz	DPOUDFTWQLTLRN-UHFFFAOYSA-N	0	3	322.836	2.964	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCc2nc(C)ncc2C1	ZINC000642341037	430511949	/nfs/dbraw/zinc/51/19/49/430511949.db2.gz	ZQBSZMPKQKYHKK-KRWDZBQOSA-N	0	3	309.413	2.997	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@H]2c2ccccc2)CCOCC1	ZINC000599312791	430529842	/nfs/dbraw/zinc/52/98/42/430529842.db2.gz	BXHKKOIIHUNQDP-SJORKVTESA-N	0	3	300.402	2.505	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000599312135	430530246	/nfs/dbraw/zinc/53/02/46/430530246.db2.gz	QNLHEUWEJVITKD-INIZCTEOSA-N	0	3	315.373	2.614	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2cncc(Cl)c2)CC1	ZINC000570388068	430537677	/nfs/dbraw/zinc/53/76/77/430537677.db2.gz	CXJHGPJYOVBTJI-AWEZNQCLSA-N	0	3	310.825	2.905	20	30		DFEDHN
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc[nH]1	ZINC000552067044	430583906	/nfs/dbraw/zinc/58/39/06/430583906.db2.gz	ZIMGWTWRQCAGCH-GRTSSRMGSA-N	0	3	311.389	2.717	20	30		DFEDHN
C[C@@](CO)(NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1	ZINC000571049041	430598570	/nfs/dbraw/zinc/59/85/70/430598570.db2.gz	CPQGWYKLPSUGKQ-KRWDZBQOSA-N	0	3	317.389	2.887	20	30		DFEDHN
N#Cc1ccc(CNCCNc2ccc3ccccc3n2)c(F)c1	ZINC000552560342	430599105	/nfs/dbraw/zinc/59/91/05/430599105.db2.gz	WDLDTNQCDQPSSB-UHFFFAOYSA-N	0	3	320.371	3.447	20	30		DFEDHN
N#CC1(CCN2CCC(c3nnc(N)o3)CC2)CCCCC1	ZINC000602871959	430544052	/nfs/dbraw/zinc/54/40/52/430544052.db2.gz	UPXXQMFRLGOSNF-UHFFFAOYSA-N	0	3	303.410	2.695	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@@H]1n1cccn1	ZINC000550945452	430546202	/nfs/dbraw/zinc/54/62/02/430546202.db2.gz	RKZWUADXXZGREC-OKYOBFRVSA-N	0	3	322.412	2.750	20	30		DFEDHN
CC(C)c1ccccc1OC[C@@H](O)CN[C@@H]1CC[C@H](C#N)C1	ZINC000571755662	430650879	/nfs/dbraw/zinc/65/08/79/430650879.db2.gz	KGRFTTBGARPKBB-XHSDSOJGSA-N	0	3	302.418	2.832	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cnn3cc(Br)cnc23)C1	ZINC000639346928	430617265	/nfs/dbraw/zinc/61/72/65/430617265.db2.gz	GDDJSBHZGSAWFG-LLVKDONJSA-N	0	3	321.222	2.890	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000553504422	430618270	/nfs/dbraw/zinc/61/82/70/430618270.db2.gz	LVVWEJHJNVVKDD-SWLSCSKDSA-N	0	3	317.820	2.910	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1scc(C)c1C#N	ZINC000571414574	430627129	/nfs/dbraw/zinc/62/71/29/430627129.db2.gz	SUUCHRGIZQYJQZ-LBPRGKRZSA-N	0	3	306.435	2.876	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N(CC)CC)cc1	ZINC000554219506	430630805	/nfs/dbraw/zinc/63/08/05/430630805.db2.gz	VPCQAWOSKZGSMI-WMLDXEAASA-N	0	3	301.434	2.908	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000554487858	430638140	/nfs/dbraw/zinc/63/81/40/430638140.db2.gz	VYAGLSCAFJRFAH-CVEARBPZSA-N	0	3	316.474	2.993	20	30		DFEDHN
COc1ccccc1N1CCC(NC[C@@H](C#N)CCC#N)CC1	ZINC000554487850	430638410	/nfs/dbraw/zinc/63/84/10/430638410.db2.gz	VILBYWHUISUVEI-OAHLLOKOSA-N	0	3	312.417	2.697	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000555263560	430664647	/nfs/dbraw/zinc/66/46/47/430664647.db2.gz	DRGVTNDKPNBHSP-MRXNPFEDSA-N	0	3	319.497	2.973	20	30		DFEDHN
CCC[C@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000555665356	430672506	/nfs/dbraw/zinc/67/25/06/430672506.db2.gz	CMHMHNPQEFBQEZ-IJLUTSLNSA-N	0	3	319.371	2.704	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](F)C1)C(C)C	ZINC000572528967	430689845	/nfs/dbraw/zinc/68/98/45/430689845.db2.gz	DAVQUVWMSACRFY-HOTGVXAUSA-N	0	3	311.445	2.829	20	30		DFEDHN
NC(=O)[C@@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184809805	335088921	/nfs/dbraw/zinc/08/89/21/335088921.db2.gz	HECSNNJLKWCUGB-HUUCEWRRSA-N	0	3	324.346	2.691	20	30		DFEDHN
C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)N(C)Cc1ccccc1	ZINC000171881529	278270413	/nfs/dbraw/zinc/27/04/13/278270413.db2.gz	ACDZOPSRVHHNKM-INIZCTEOSA-N	0	3	321.424	2.737	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H]2CSC[C@H]2C)c(C#N)c1C	ZINC000556831665	430694071	/nfs/dbraw/zinc/69/40/71/430694071.db2.gz	IMGKOMNAOKUQTO-PELKAZGASA-N	0	3	309.460	2.516	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)NCC1(C#N)CC1	ZINC000572929343	430698273	/nfs/dbraw/zinc/69/82/73/430698273.db2.gz	WESFFLSKJYHSJG-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
Cc1cccc(OCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000573080325	430699714	/nfs/dbraw/zinc/69/97/14/430699714.db2.gz	SVMLQBCHYOMGGE-GOSISDBHSA-N	0	3	323.396	2.794	20	30		DFEDHN
C=C(C)C[C@H](NC(C)=O)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1	ZINC000664803256	430749871	/nfs/dbraw/zinc/74/98/71/430749871.db2.gz	GTXFSNWKVSLOPW-DKUMPPAJSA-N	0	3	318.421	2.553	20	30		DFEDHN
C=CCCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000661565449	430760360	/nfs/dbraw/zinc/76/03/60/430760360.db2.gz	NLJUSWPMOSPOTE-INIZCTEOSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=CCOCCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000664866895	430767017	/nfs/dbraw/zinc/76/70/17/430767017.db2.gz	QQBQOCGQWXWGOV-NVXWUHKLSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000665062675	430812712	/nfs/dbraw/zinc/81/27/12/430812712.db2.gz	GSFLCVXEKIWTLL-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCC1(NCc2nc(-c3ccc(OC)nn3)no2)CCCC1	ZINC000661851452	430865065	/nfs/dbraw/zinc/86/50/65/430865065.db2.gz	VHVHDGOFOXGUNI-UHFFFAOYSA-N	0	3	315.377	2.514	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@H]2CCCCO2)CC1	ZINC000661871286	430874977	/nfs/dbraw/zinc/87/49/77/430874977.db2.gz	SIHHWMDBZALAOD-SJLPKXTDSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000661881849	430881829	/nfs/dbraw/zinc/88/18/29/430881829.db2.gz	URCSCLVTEQAKAU-IRXDYDNUSA-N	0	3	308.466	2.692	20	30		DFEDHN
COCC#CCN1CC[C@@H](Cc2ccc(Br)cc2)C1	ZINC000645026091	430892702	/nfs/dbraw/zinc/89/27/02/430892702.db2.gz	UBTHNMBTRVIMTN-HNNXBMFYSA-N	0	3	322.246	2.963	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659042328	430948980	/nfs/dbraw/zinc/94/89/80/430948980.db2.gz	KRFCLMXSZOYVDX-GDBMZVCRSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CCOCCN1CCC([C@H]2CCCCCN2C(C)=O)CC1	ZINC000645087277	430897915	/nfs/dbraw/zinc/89/79/15/430897915.db2.gz	SBMTYUCAEYWZQH-GOSISDBHSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000662087718	430954341	/nfs/dbraw/zinc/95/43/41/430954341.db2.gz	ISWASGJRZYAPDE-IYBDPMFKSA-N	0	3	320.458	2.620	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N(C)CCN1CCCCC1	ZINC000652562837	431086826	/nfs/dbraw/zinc/08/68/26/431086826.db2.gz	RUGAXNYAJUDLAZ-HNNXBMFYSA-N	0	3	305.470	2.900	20	30		DFEDHN
C=C(CC)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649750966	431274575	/nfs/dbraw/zinc/27/45/75/431274575.db2.gz	CAFBLSBCFCNSHJ-RTBURBONSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](C)COC	ZINC000663416797	431414821	/nfs/dbraw/zinc/41/48/21/431414821.db2.gz	RNCCRPUCJZACIL-DOTOQJQBSA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000656542062	431420271	/nfs/dbraw/zinc/42/02/71/431420271.db2.gz	FLLURPGDRFJHPY-KRWDZBQOSA-N	0	3	317.433	2.707	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CC1	ZINC000660598440	431509403	/nfs/dbraw/zinc/50/94/03/431509403.db2.gz	YYMHVUCCDHAOBF-VYDXJSESSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H](C3CCC3)C2)CC1	ZINC000660705589	431558752	/nfs/dbraw/zinc/55/87/52/431558752.db2.gz	WDDNWWHOBNNNTO-MRXNPFEDSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000660707304	431559329	/nfs/dbraw/zinc/55/93/29/431559329.db2.gz	NXYXDUXUBYYBIH-UHFFFAOYSA-N	0	3	313.401	2.882	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000660708148	431559955	/nfs/dbraw/zinc/55/99/55/431559955.db2.gz	WAFFXDQKNHYCNS-QGZVFWFLSA-N	0	3	317.408	2.933	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1	ZINC000097103537	280102241	/nfs/dbraw/zinc/10/22/41/280102241.db2.gz	FURCEIDBIVWQCG-ZIFCJYIRSA-N	0	3	313.445	2.967	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC(C)(C2CC2)C2CC2)CC1	ZINC000664015920	431627765	/nfs/dbraw/zinc/62/77/65/431627765.db2.gz	LXKPYKWHAIWIDM-UHFFFAOYSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCCn1cc(CNCCc2c[nH]c3cc(F)ccc23)nn1	ZINC000657337674	431687108	/nfs/dbraw/zinc/68/71/08/431687108.db2.gz	FLNLDQQOTUBODI-UHFFFAOYSA-N	0	3	313.380	2.807	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1csc(CC(=O)NC)n1	ZINC000661117998	431738626	/nfs/dbraw/zinc/73/86/26/431738626.db2.gz	VORIQBVNKXWHLC-GXTWGEPZSA-N	0	3	307.463	2.656	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1csc(CC(=O)NC)n1	ZINC000661118012	431739361	/nfs/dbraw/zinc/73/93/61/431739361.db2.gz	VORIQBVNKXWHLC-TZMCWYRMSA-N	0	3	307.463	2.656	20	30		DFEDHN
C=CCCn1cc(CN[C@H]2CCc3cc(OC)ccc3C2)nn1	ZINC000657432274	431749221	/nfs/dbraw/zinc/74/92/21/431749221.db2.gz	QOMBQMKCSADRSA-INIZCTEOSA-N	0	3	312.417	2.510	20	30		DFEDHN
C=CCOCCCNc1ccnc2cc(OC)c(OC)cc21	ZINC000664385751	431758277	/nfs/dbraw/zinc/75/82/77/431758277.db2.gz	ZHUHHJFIXPWWJY-UHFFFAOYSA-N	0	3	302.374	2.679	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@H](C)COC	ZINC000661242666	431793731	/nfs/dbraw/zinc/79/37/31/431793731.db2.gz	RVZNUDPCAHNRBW-GFCCVEGCSA-N	0	3	312.360	2.816	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1cc(C)ccc1C)[C@@H](C)COC	ZINC000661248147	431795132	/nfs/dbraw/zinc/79/51/32/431795132.db2.gz	SFWCLYWOPAWFIP-DLBZAZTESA-N	0	3	307.434	2.566	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC#Cc2cccc(Cl)c2)C1	ZINC000661214753	431780776	/nfs/dbraw/zinc/78/07/76/431780776.db2.gz	AAJZTQCZOWCECN-KBAYOESNSA-N	0	3	321.848	2.847	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCC#Cc2ccc(Cl)cc2)C1	ZINC000661222753	431783393	/nfs/dbraw/zinc/78/33/93/431783393.db2.gz	WNQRWYZCSGAHKN-JQHSSLGASA-N	0	3	321.848	2.847	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCC#Cc2ccccc2Cl)C1	ZINC000661219087	431784382	/nfs/dbraw/zinc/78/43/82/431784382.db2.gz	MXGNCJRJDBUFIH-JZXOWHBKSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2Cc3cc(F)c(F)cc3C2)CC1	ZINC000654431662	431787319	/nfs/dbraw/zinc/78/73/19/431787319.db2.gz	VQUZLJNUFSHFNT-UHFFFAOYSA-N	0	3	321.371	2.640	20	30		DFEDHN
C=CCC1(NCc2cc(OC)c(OC)cc2OC)CCOCC1	ZINC000657632237	431830128	/nfs/dbraw/zinc/83/01/28/431830128.db2.gz	CKYMNEHPHWUTOD-UHFFFAOYSA-N	0	3	321.417	2.927	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1	ZINC000661378856	431837031	/nfs/dbraw/zinc/83/70/31/431837031.db2.gz	NFGOWHHVMLTPBA-MRXNPFEDSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2COC)C1	ZINC000661379770	431838515	/nfs/dbraw/zinc/83/85/15/431838515.db2.gz	IGBUOKLZHFSADW-INIZCTEOSA-N	0	3	316.445	2.737	20	30		DFEDHN
N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000330811232	294943256	/nfs/dbraw/zinc/94/32/56/294943256.db2.gz	OQFATPAWOZMVID-IAGOWNOFSA-N	0	3	312.417	2.695	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)CCN1C	ZINC000157555872	295350378	/nfs/dbraw/zinc/35/03/78/295350378.db2.gz	MYZPGFQZSFRSNA-RISCZKNCSA-N	0	3	305.809	2.766	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CC2	ZINC000514975706	300282682	/nfs/dbraw/zinc/28/26/82/300282682.db2.gz	HAYWQJLEXZEGMA-RDJZCZTQSA-N	0	3	321.428	2.865	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CC(=O)N(C2CC2)C1	ZINC000516579462	300350043	/nfs/dbraw/zinc/35/00/43/300350043.db2.gz	DWUWIIZEZYSZSO-MAUKXSAKSA-N	0	3	309.413	2.679	20	30		DFEDHN
COc1ccc(CNC[C@@]2(C)COc3ccccc3O2)cc1C#N	ZINC000527732706	300680631	/nfs/dbraw/zinc/68/06/31/300680631.db2.gz	BFWNALNMRDSVQG-IBGZPJMESA-N	0	3	324.380	2.887	20	30		DFEDHN
CN1CCN(Cc2ccc(NCc3ccc(C#N)o3)cc2)CC1	ZINC000535838139	301263889	/nfs/dbraw/zinc/26/38/89/301263889.db2.gz	MJABNYRXAMRIAY-UHFFFAOYSA-N	0	3	310.401	2.511	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)c(F)c1	ZINC000538508374	301322822	/nfs/dbraw/zinc/32/28/22/301322822.db2.gz	KFQIVSSYIJQSKK-CQDKDKBSSA-N	0	3	324.421	2.704	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3C[C@@H]3Cc3ccccc3)n2c1	ZINC000540601072	301366056	/nfs/dbraw/zinc/36/60/56/301366056.db2.gz	PVZUBNGRHXXIEC-WMZOPIPTSA-N	0	3	302.381	2.927	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000556268187	301790858	/nfs/dbraw/zinc/79/08/58/301790858.db2.gz	ASNHPSSDDGIOMW-RUGDWHBFSA-N	0	3	310.401	2.824	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@H]3CC[C@H]3C3CC3)C2=O)cc1	ZINC000558270956	301845625	/nfs/dbraw/zinc/84/56/25/301845625.db2.gz	ARWPYTOCSMHTCR-BZSNNMDCSA-N	0	3	309.413	2.832	20	30		DFEDHN
N#Cc1cncc(NCC2CCN(Cc3cccs3)CC2)n1	ZINC000563831694	302101846	/nfs/dbraw/zinc/10/18/46/302101846.db2.gz	RTJMORPMOOABTC-UHFFFAOYSA-N	0	3	313.430	2.734	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCC(=O)Nc1ccccn1)CC2	ZINC000563843937	302102062	/nfs/dbraw/zinc/10/20/62/302102062.db2.gz	YSMWNHAUBSMEPA-MRXNPFEDSA-N	0	3	306.369	2.559	20	30		DFEDHN
Cc1cc(CN2CCC(N3CCOC[C@H]3C)CC2)ccc1C#N	ZINC000565175857	302201538	/nfs/dbraw/zinc/20/15/38/302201538.db2.gz	XZVOFHGGKNIFDA-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
CCN1CCC(NC(=O)CSc2ccc(C#N)c(C)c2)CC1	ZINC000566223749	302268718	/nfs/dbraw/zinc/26/87/18/302268718.db2.gz	UYFOEZRGEJBNNC-UHFFFAOYSA-N	0	3	317.458	2.559	20	30		DFEDHN
CCC(CC)(CNCc1ccc(C#N)cc1[N+](=O)[O-])C(=O)OC	ZINC000566298919	302276380	/nfs/dbraw/zinc/27/63/80/302276380.db2.gz	JZXIZJLXVBUVHD-UHFFFAOYSA-N	0	3	319.361	2.535	20	30		DFEDHN
N#Cc1c(C(F)F)cccc1N1CCN(C[C@H]2CCOC2)CC1	ZINC000569514502	302522842	/nfs/dbraw/zinc/52/28/42/302522842.db2.gz	FXJAQRRSKLFJFY-CYBMUJFWSA-N	0	3	321.371	2.654	20	30		DFEDHN
COc1ccc([C@H](CN2CCCC2)Nc2cncc(C#N)n2)cc1	ZINC000571311444	302612819	/nfs/dbraw/zinc/61/28/19/302612819.db2.gz	JPXYLFKPIZXUNV-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000573780752	302722601	/nfs/dbraw/zinc/72/26/01/302722601.db2.gz	SHUILCVICDLTNJ-JCGIZDLHSA-N	0	3	311.429	2.652	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCO1	ZINC000182333829	316097172	/nfs/dbraw/zinc/09/71/72/316097172.db2.gz	COAZRARYLHBSDY-HIFRSBDPSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000577027963	318166295	/nfs/dbraw/zinc/16/62/95/318166295.db2.gz	MWTHQLIELAFJRC-ULQDDVLXSA-N	0	3	320.458	2.955	20	30		DFEDHN
C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577180412	318176371	/nfs/dbraw/zinc/17/63/71/318176371.db2.gz	FOLGSKKQTIQSOY-CZUORRHYSA-N	0	3	317.389	2.982	20	30		DFEDHN
C[C@@H](CN(Cc1ccc(C#N)cn1)[C@@H](C)CO)c1ccccc1	ZINC000578761450	318283480	/nfs/dbraw/zinc/28/34/80/318283480.db2.gz	GTBGCFYFFNPBEX-HOTGVXAUSA-N	0	3	309.413	2.940	20	30		DFEDHN
N#Cc1cccc(OC2CCN(CCC3(O)CCC3)CC2)c1	ZINC000579084561	318305918	/nfs/dbraw/zinc/30/59/18/318305918.db2.gz	JPTDTWJKDUPCOA-UHFFFAOYSA-N	0	3	300.402	2.707	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(C2CC2)CC1	ZINC000579450792	318331340	/nfs/dbraw/zinc/33/13/40/318331340.db2.gz	UBLKPKRJKGEBLW-LJQANCHMSA-N	0	3	323.440	2.926	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1ccc(-n2cncn2)cc1	ZINC000022816996	323208639	/nfs/dbraw/zinc/20/86/39/323208639.db2.gz	YDCVBRIALYGNAN-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#Cc1ccc(CN(C[C@@H](O)COc2ccccc2)C2CC2)cc1	ZINC000194961347	323275587	/nfs/dbraw/zinc/27/55/87/323275587.db2.gz	ZSVYXRLWICFWIU-LJQANCHMSA-N	0	3	322.408	2.963	20	30		DFEDHN
N#Cc1csc(CNC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000386072547	323315177	/nfs/dbraw/zinc/31/51/77/323315177.db2.gz	ZZWDLZLZCLNMKH-INIZCTEOSA-N	0	3	312.442	2.941	20	30		DFEDHN
CCN1CC[C@H](Nc2cc(Br)c(C#N)cc2F)C1	ZINC000389204467	323334306	/nfs/dbraw/zinc/33/43/06/323334306.db2.gz	AQGQLAYXZQVMPW-JTQLQIEISA-N	0	3	312.186	2.966	20	30		DFEDHN
CCN1CC[C@@H](Nc2cc(Br)c(C#N)cc2F)C1	ZINC000389204468	323334363	/nfs/dbraw/zinc/33/43/63/323334363.db2.gz	AQGQLAYXZQVMPW-SNVBAGLBSA-N	0	3	312.186	2.966	20	30		DFEDHN
Cc1cc(C#N)ccc1-c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000580385301	323376224	/nfs/dbraw/zinc/37/62/24/323376224.db2.gz	GFDPOSUMULWQMF-GJZGRUSLSA-N	0	3	321.384	2.772	20	30		DFEDHN
N#Cc1cnn2cc(CNC3(Cc4ccccc4)CCC3)cnc12	ZINC000582486664	323680534	/nfs/dbraw/zinc/68/05/34/323680534.db2.gz	QERQIPRWYNDYQQ-UHFFFAOYSA-N	0	3	317.396	2.856	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H](C)c1ccc(OC(F)F)c(OC)c1	ZINC000186717750	331469355	/nfs/dbraw/zinc/46/93/55/331469355.db2.gz	INYFZTVVKMJJJB-PWSUYJOCSA-N	0	3	301.333	2.884	20	30		DFEDHN
C=C(CNCc1ccccc1OCC(=O)N(C)C)c1ccccc1	ZINC000299302563	331685010	/nfs/dbraw/zinc/68/50/10/331685010.db2.gz	BALXOGZZESLUOM-UHFFFAOYSA-N	0	3	324.424	2.957	20	30		DFEDHN
COCCCOCCN(C)Cc1ccccc1C(C)(C)C#N	ZINC000091101861	332099707	/nfs/dbraw/zinc/09/97/07/332099707.db2.gz	PRGZWFTYMHHHBC-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
Cc1ccc(N2CCCN(CC(C)(C)CCC#N)CC2)nn1	ZINC000093272376	332136576	/nfs/dbraw/zinc/13/65/76/332136576.db2.gz	NASNIFCSWFJZLU-UHFFFAOYSA-N	0	3	301.438	2.627	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000410512247	332149317	/nfs/dbraw/zinc/14/93/17/332149317.db2.gz	SXVDMANZYLSNRW-GPMSIDNRSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CC[C@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000184900596	335095723	/nfs/dbraw/zinc/09/57/23/335095723.db2.gz	CMNXFVLBJNWVPG-HNNXBMFYSA-N	0	3	316.449	2.915	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C#N)CC1)C(C)C	ZINC000105139788	332250261	/nfs/dbraw/zinc/25/02/61/332250261.db2.gz	BDINKVQTORQRDV-KRWDZBQOSA-N	0	3	318.465	2.630	20	30		DFEDHN
CC(C)Oc1cccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1	ZINC000112528229	332314053	/nfs/dbraw/zinc/31/40/53/332314053.db2.gz	FRMONRHASFOLHM-LSDHHAIUSA-N	0	3	317.433	2.885	20	30		DFEDHN
C=CC[C@H](C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1)c1ccccc1	ZINC000427627481	332469759	/nfs/dbraw/zinc/46/97/59/332469759.db2.gz	BCNUOJMQRRVJJE-GVDBMIGSSA-N	0	3	318.486	2.850	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c(C)o1	ZINC000408381669	332503485	/nfs/dbraw/zinc/50/34/85/332503485.db2.gz	MVOUQLNHALIJCY-HOCLYGCPSA-N	0	3	315.417	2.783	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OCCCC)C1(C)C	ZINC000561945612	332519687	/nfs/dbraw/zinc/51/96/87/332519687.db2.gz	WXUZUQUZAWYRFB-HOTGVXAUSA-N	0	3	310.482	2.984	20	30		DFEDHN
COCCCCON=C(N)c1ccccc1CN1CCCCC1	ZINC000131624904	332558247	/nfs/dbraw/zinc/55/82/47/332558247.db2.gz	JEKQQQAMERSXMT-UHFFFAOYSA-N	0	3	319.449	2.736	20	30		DFEDHN
CNC(=O)CC1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135267942	332617762	/nfs/dbraw/zinc/61/77/62/332617762.db2.gz	JSVGJATVCPGJHW-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
CCOc1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1	ZINC000136901592	332634408	/nfs/dbraw/zinc/63/44/08/332634408.db2.gz	JNIBWXNNNXAPIM-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
C=C(CC)CN[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442790533	335115216	/nfs/dbraw/zinc/11/52/16/335115216.db2.gz	IVSNGVXVUABUME-HUUCEWRRSA-N	0	3	324.465	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)CC1	ZINC000188040906	333017878	/nfs/dbraw/zinc/01/78/78/333017878.db2.gz	FHODKEVGDFGFDG-IAGOWNOFSA-N	0	3	323.481	2.530	20	30		DFEDHN
N#CCCCCNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000170886386	333041859	/nfs/dbraw/zinc/04/18/59/333041859.db2.gz	YBZHRVFKNUWJRM-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
N#CCCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000170886784	333042036	/nfs/dbraw/zinc/04/20/36/333042036.db2.gz	XEDXLECCTXAWGQ-KRWDZBQOSA-N	0	3	314.433	2.817	20	30		DFEDHN
CC1CC(C#N)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1	ZINC000563017953	333059319	/nfs/dbraw/zinc/05/93/19/333059319.db2.gz	MDMYRQJUJJTIEN-MHALHIKHSA-N	0	3	323.440	2.659	20	30		DFEDHN
N#CCSCCCN1CCCN(Cc2ccc(F)cc2)CC1	ZINC000173859589	333079143	/nfs/dbraw/zinc/07/91/43/333079143.db2.gz	SBMSCLRAWAJPNK-UHFFFAOYSA-N	0	3	321.465	2.980	20	30		DFEDHN
CCOc1ccc(NC(=O)CNCC(C)(C)CCC#N)cc1	ZINC000174306119	333084657	/nfs/dbraw/zinc/08/46/57/333084657.db2.gz	WGYPIUPISHJTGT-UHFFFAOYSA-N	0	3	303.406	2.943	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2)CCN1C	ZINC000174714322	333089675	/nfs/dbraw/zinc/08/96/75/333089675.db2.gz	JQDPNYZAMLCZTR-CZUORRHYSA-N	0	3	300.406	2.699	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2ccccc2OC)CC1	ZINC000343336068	335121355	/nfs/dbraw/zinc/12/13/55/335121355.db2.gz	GAMPCVQLUUGCPM-UHFFFAOYSA-N	0	3	320.458	2.554	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(CC#N)cc1	ZINC000176279388	333111170	/nfs/dbraw/zinc/11/11/70/333111170.db2.gz	PYKHLZRWPWPAHQ-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)NCCCCC#N)CN1Cc1ccccc1	ZINC000176590477	333115678	/nfs/dbraw/zinc/11/56/78/333115678.db2.gz	KODCLUIIQAUDIQ-DOTOQJQBSA-N	0	3	314.433	2.642	20	30		DFEDHN
C[C@@](NCCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177384946	333128306	/nfs/dbraw/zinc/12/83/06/333128306.db2.gz	ZHGSGUDWMAHNEE-AWEZNQCLSA-N	0	3	313.323	2.689	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1nc(C)oc1C)C(C)C	ZINC000294540155	335124473	/nfs/dbraw/zinc/12/44/73/335124473.db2.gz	AGSNVWBAJQGXPI-OAHLLOKOSA-N	0	3	305.422	2.720	20	30		DFEDHN
CC(C)(CCC#N)CN1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000179505396	333151515	/nfs/dbraw/zinc/15/15/15/333151515.db2.gz	YHJIQBDZJJADPM-GOSISDBHSA-N	0	3	315.461	2.668	20	30		DFEDHN
C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)c(Cl)c1	ZINC000180741386	333164864	/nfs/dbraw/zinc/16/48/64/333164864.db2.gz	YNMZZVUOPZOJLG-NSHDSACASA-N	0	3	311.788	2.892	20	30		DFEDHN
C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1	ZINC000180867907	333165721	/nfs/dbraw/zinc/16/57/21/333165721.db2.gz	RYCZFYDUVRXZFW-YZSSSTSJSA-N	0	3	319.792	2.517	20	30		DFEDHN
C=CCNC(=O)NCC1CCN(Cc2ccccc2F)CC1	ZINC000107076600	333166041	/nfs/dbraw/zinc/16/60/41/333166041.db2.gz	LUWGMVCDLPGGRS-UHFFFAOYSA-N	0	3	305.397	2.523	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000182153547	333176488	/nfs/dbraw/zinc/17/64/88/333176488.db2.gz	DZAGHVDWBAVFAN-AWEZNQCLSA-N	0	3	318.421	2.781	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C)c1C	ZINC000183715694	333187302	/nfs/dbraw/zinc/18/73/02/333187302.db2.gz	GRFDQPNZSOICDU-XJKSGUPXSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000294442144	335123233	/nfs/dbraw/zinc/12/32/33/335123233.db2.gz	VGRORRKTGQWMJX-KBMXLJTQSA-N	0	3	316.380	2.604	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)S[C@H](C)C2)CC1	ZINC000525767053	333249787	/nfs/dbraw/zinc/24/97/87/333249787.db2.gz	KCSXYILDOPDFCF-ZIAGYGMSSA-N	0	3	311.495	2.562	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000364222643	333275181	/nfs/dbraw/zinc/27/51/81/333275181.db2.gz	PPPIAHGTRGGADX-BRWVUGGUSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000364222644	333275293	/nfs/dbraw/zinc/27/52/93/333275293.db2.gz	PPPIAHGTRGGADX-GVDBMIGSSA-N	0	3	323.481	2.531	20	30		DFEDHN
COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)cc(OC)c1OC	ZINC000192616458	333290599	/nfs/dbraw/zinc/29/05/99/333290599.db2.gz	HMDRDMHFOPLLKI-OCCSQVGLSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=C(C)[C@H](N[C@@H](C)COCC(=O)OC)c1ccc(F)c(F)c1	ZINC000295407844	335133948	/nfs/dbraw/zinc/13/39/48/335133948.db2.gz	MTSNLWSLEBTOBO-ZBEGNZNMSA-N	0	3	313.344	2.750	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC(F)(F)F)c1)c1ccncn1	ZINC000354469090	333331876	/nfs/dbraw/zinc/33/18/76/333331876.db2.gz	MMDCUJALVOCNPM-NSHDSACASA-N	0	3	307.231	2.865	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)[C@@H](OC)c2ccccc2Cl)C1=O	ZINC000337195617	333441912	/nfs/dbraw/zinc/44/19/12/333441912.db2.gz	WVVHLKTWAOJBDR-UHOFOFEASA-N	0	3	322.836	2.793	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc2c(cc1SC)OCCO2	ZINC000320225311	333457435	/nfs/dbraw/zinc/45/74/35/333457435.db2.gz	AOHYIJLAYLFIHY-CYBMUJFWSA-N	0	3	309.431	2.596	20	30		DFEDHN
C[C@@H]1CN([C@H](CN[C@@H]2CC[C@@H](C#N)C2)c2cccs2)CCO1	ZINC000338973082	333504075	/nfs/dbraw/zinc/50/40/75/333504075.db2.gz	RCBAUWIXVJNPAT-KLHDSHLOSA-N	0	3	319.474	2.792	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc(C)sc1C	ZINC000296593253	335144847	/nfs/dbraw/zinc/14/48/47/335144847.db2.gz	NVCCTDCAZZKFSU-ZDUSSCGKSA-N	0	3	307.463	2.680	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(n2)CCC3)CC1	ZINC000296742554	335148178	/nfs/dbraw/zinc/14/81/78/335148178.db2.gz	BDHMEUUCCHGDTN-UHFFFAOYSA-N	0	3	314.433	2.732	20	30		DFEDHN
OC[C@]1([C@@H](NCC#Cc2cccc(Cl)c2)C2CC2)CCCO1	ZINC000339762622	333594869	/nfs/dbraw/zinc/59/48/69/333594869.db2.gz	UXHBJQQLSZFRIK-ROUUACIJSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1cccs1	ZINC000296946474	335150036	/nfs/dbraw/zinc/15/00/36/335150036.db2.gz	PXYNFIQZBRZLML-CQSZACIVSA-N	0	3	305.447	2.550	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCN(C(=O)OCC)C2)c1	ZINC000185790274	335151272	/nfs/dbraw/zinc/15/12/72/335151272.db2.gz	IPEGKIYUHKQTRN-OAHLLOKOSA-N	0	3	304.390	2.572	20	30		DFEDHN
C=CCCOCCNc1ccnc2cc(OC)c(OC)cc21	ZINC000413210839	333837491	/nfs/dbraw/zinc/83/74/91/333837491.db2.gz	PNZIELSJZXOQNM-UHFFFAOYSA-N	0	3	302.374	2.679	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2c2nccn2C)cc1	ZINC000343396861	335161881	/nfs/dbraw/zinc/16/18/81/335161881.db2.gz	IVQMTUBRVSLTQL-SJORKVTESA-N	0	3	313.401	2.605	20	30		DFEDHN
N#CC(C(=O)c1cnn2ccccc12)c1nc2ccccc2[nH]1	ZINC000343427328	335163907	/nfs/dbraw/zinc/16/39/07/335163907.db2.gz	RDEDXDZEXJEBMH-LLVKDONJSA-N	0	3	301.309	2.701	20	30		DFEDHN
CCc1nc(CON=C(N)c2ccc(CN(C)C)cc2)cs1	ZINC000267028654	333978274	/nfs/dbraw/zinc/97/82/74/333978274.db2.gz	URVXRKLIBSJJOC-UHFFFAOYSA-N	0	3	318.446	2.604	20	30		DFEDHN
N#CCCn1cc(CN2CCC[C@@H](CO)C2)c(-c2ccccc2)n1	ZINC000269332946	334000453	/nfs/dbraw/zinc/00/04/53/334000453.db2.gz	CRIPAEDWOODQAS-MRXNPFEDSA-N	0	3	324.428	2.668	20	30		DFEDHN
C=CCOc1ccc(CN(C)C(C)(C)CN2CCOCC2)cc1	ZINC000414566467	334021487	/nfs/dbraw/zinc/02/14/87/334021487.db2.gz	IKDRWOSWBNTMID-UHFFFAOYSA-N	0	3	318.461	2.794	20	30		DFEDHN
C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000271888482	334028295	/nfs/dbraw/zinc/02/82/95/334028295.db2.gz	RHYSHNJEMGCNFT-GWCFXTLKSA-N	0	3	302.296	2.553	20	30		DFEDHN
C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000271888487	334028387	/nfs/dbraw/zinc/02/83/87/334028387.db2.gz	RHYSHNJEMGCNFT-GXFFZTMASA-N	0	3	302.296	2.553	20	30		DFEDHN
CC(C)(C#N)CCN[C@H](CN1CCOCC1)c1ccccc1	ZINC000272020795	334029715	/nfs/dbraw/zinc/02/97/15/334029715.db2.gz	MWQHYRVDFVTVFU-QGZVFWFLSA-N	0	3	301.434	2.589	20	30		DFEDHN
C=C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000353407226	334031799	/nfs/dbraw/zinc/03/17/99/334031799.db2.gz	RLCZVADXSAIKPT-KGLIPLIRSA-N	0	3	310.463	2.942	20	30		DFEDHN
COc1ccc(NC(=O)CCN2CCC(C)(C#N)CC2)cc1	ZINC000272617587	334038133	/nfs/dbraw/zinc/03/81/33/334038133.db2.gz	UGTJBGHQIZPVCK-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000274671688	334065112	/nfs/dbraw/zinc/06/51/12/334065112.db2.gz	YAMDOSLPAGVNMP-LOWVWBTDSA-N	0	3	310.394	2.572	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCCN(c2cccnn2)CC1	ZINC000277567866	334089108	/nfs/dbraw/zinc/08/91/08/334089108.db2.gz	AYRYOKYYSJWVLC-UHFFFAOYSA-N	0	3	301.438	2.709	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1)C1CC1	ZINC000277939900	334092085	/nfs/dbraw/zinc/09/20/85/334092085.db2.gz	ZHAUHHHWLJHWSQ-SCTDSRPQSA-N	0	3	311.429	2.721	20	30		DFEDHN
CCN(CCC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000278761427	334100912	/nfs/dbraw/zinc/10/09/12/334100912.db2.gz	XWUUSMLNHGEVOD-GOSISDBHSA-N	0	3	301.434	2.513	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000280124592	334114461	/nfs/dbraw/zinc/11/44/61/334114461.db2.gz	CRDNRSYJXNUFGU-HNNXBMFYSA-N	0	3	313.445	2.949	20	30		DFEDHN
CSCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280146342	334114543	/nfs/dbraw/zinc/11/45/43/334114543.db2.gz	WFGXOADZKJPWRQ-MRXNPFEDSA-N	0	3	315.442	2.890	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000340103782	334127433	/nfs/dbraw/zinc/12/74/33/334127433.db2.gz	PFNHOVOBNMHAOC-TUAOUCFPSA-N	0	3	319.371	2.560	20	30		DFEDHN
N#CC1(CCCN2CCc3ccccc3[C@@H]2CO)CCOCC1	ZINC000282010034	334130449	/nfs/dbraw/zinc/13/04/49/334130449.db2.gz	OJMQBLCGWVWTSF-SFHVURJKSA-N	0	3	314.429	2.679	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](CO)c2ccc(Br)cc2)C1	ZINC000282171725	334132168	/nfs/dbraw/zinc/13/21/68/334132168.db2.gz	FBNFNQNUIUVBEO-SWHYSGLUSA-N	0	3	309.207	2.764	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)N[C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000284327028	334143109	/nfs/dbraw/zinc/14/31/09/334143109.db2.gz	KKAXDTOCZAEYAK-KYJSFNMBSA-N	0	3	301.434	2.970	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000366641196	334148780	/nfs/dbraw/zinc/14/87/80/334148780.db2.gz	IRSOJVIDEZMJDK-MRXNPFEDSA-N	0	3	313.445	2.704	20	30		DFEDHN
C#C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)C(C)C	ZINC000289395102	334164745	/nfs/dbraw/zinc/16/47/45/334164745.db2.gz	NXWIYKMCHXHUCK-KRWDZBQOSA-N	0	3	307.401	2.606	20	30		DFEDHN
CCN1CCN(c2ccc(NC(=O)CCCC#N)c(C)c2)CC1	ZINC000290899608	334175173	/nfs/dbraw/zinc/17/51/73/334175173.db2.gz	DXXKYUPNXKKQMH-UHFFFAOYSA-N	0	3	314.433	2.769	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000291768532	334181697	/nfs/dbraw/zinc/18/16/97/334181697.db2.gz	LOEKGWBDAXKVIJ-HXUWFJFHSA-N	0	3	322.408	2.725	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCC#N	ZINC000292022322	334183938	/nfs/dbraw/zinc/18/39/38/334183938.db2.gz	ZLEJITPCKYXCHA-UHFFFAOYSA-N	0	3	309.360	2.549	20	30		DFEDHN
N#CCCOCCN1CCCCC[C@H]1C[C@H](O)c1ccco1	ZINC000292705666	334191243	/nfs/dbraw/zinc/19/12/43/334191243.db2.gz	DQEJIQPAJMYLAC-HOTGVXAUSA-N	0	3	306.406	2.878	20	30		DFEDHN
N#CCCOCCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1	ZINC000292705669	334191257	/nfs/dbraw/zinc/19/12/57/334191257.db2.gz	DQEJIQPAJMYLAC-HZPDHXFCSA-N	0	3	306.406	2.878	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)[C@H](C)CO	ZINC000292885726	334193712	/nfs/dbraw/zinc/19/37/12/334193712.db2.gz	YGYICYSTNLSSBA-CQSZACIVSA-N	0	3	306.406	2.580	20	30		DFEDHN
CCc1ccc([C@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)cc1	ZINC000293231489	334196618	/nfs/dbraw/zinc/19/66/18/334196618.db2.gz	HHKZYYLZYPZWJN-YJBOKZPZSA-N	0	3	313.445	2.799	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)C[C@@H](O)Cc1ccccc1	ZINC000293220350	334196646	/nfs/dbraw/zinc/19/66/46/334196646.db2.gz	GSSKUVLYIYKLTP-SFHVURJKSA-N	0	3	310.397	2.624	20	30		DFEDHN
CC(C)[C@]1(CO)CCCN(Cc2ccc(OCC#N)cc2)C1	ZINC000293218812	334196688	/nfs/dbraw/zinc/19/66/88/334196688.db2.gz	XVEOJBRAPORVCE-GOSISDBHSA-N	0	3	302.418	2.819	20	30		DFEDHN
CCc1ccc([C@H](C#N)NC(=O)[C@@H](C2CC2)N2CCCC2)cc1	ZINC000293320198	334197085	/nfs/dbraw/zinc/19/70/85/334197085.db2.gz	JAYXVDBMFJAOLO-ZWKOTPCHSA-N	0	3	311.429	2.804	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000294603621	334211330	/nfs/dbraw/zinc/21/13/30/334211330.db2.gz	NSARDUSIOWCUTH-NWDGAFQWSA-N	0	3	306.797	2.665	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccccn1)N1[C@H](C)CC[C@H]1C	ZINC000298896057	334251942	/nfs/dbraw/zinc/25/19/42/334251942.db2.gz	NADJAIPJSFXGGV-BZUAXINKSA-N	0	3	314.433	2.585	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1	ZINC000299284972	334254428	/nfs/dbraw/zinc/25/44/28/334254428.db2.gz	NNUWCQJQXXWJAN-SLBLFOQMSA-N	0	3	317.433	2.517	20	30		DFEDHN
C[C@@H](C(=O)Nc1cccc(OCC#N)c1)N1[C@H](C)CC[C@H]1C	ZINC000299660975	334257117	/nfs/dbraw/zinc/25/71/17/334257117.db2.gz	QHXAYVCIQRMINX-MCIONIFRSA-N	0	3	301.390	2.789	20	30		DFEDHN
C=C(C)CNCc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000119623627	334285126	/nfs/dbraw/zinc/28/51/26/334285126.db2.gz	GMEQNEXNLRUIPQ-UHFFFAOYSA-N	0	3	324.852	2.717	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(N(C)C(C)=O)CC2)c1	ZINC000120474294	334317308	/nfs/dbraw/zinc/31/73/08/334317308.db2.gz	YEZONDXZCGWABR-UHFFFAOYSA-N	0	3	302.418	2.694	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000120521959	334317743	/nfs/dbraw/zinc/31/77/43/334317743.db2.gz	VACYYLABEJSFDV-GOSISDBHSA-N	0	3	321.424	2.852	20	30		DFEDHN
C=CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000121325682	334343575	/nfs/dbraw/zinc/34/35/75/334343575.db2.gz	LRINDAALOUHCJO-DOTOQJQBSA-N	0	3	322.474	2.535	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1	ZINC000121331194	334343730	/nfs/dbraw/zinc/34/37/30/334343730.db2.gz	XHGMZDVIBXZCAK-WOJBJXKFSA-N	0	3	324.468	2.859	20	30		DFEDHN
C#CCOc1ccc(CN(C)Cc2ccc(C(=O)NC)cc2)cc1	ZINC000121167328	334343772	/nfs/dbraw/zinc/34/37/72/334343772.db2.gz	UWIDXCABQFPACI-UHFFFAOYSA-N	0	3	322.408	2.690	20	30		DFEDHN
N#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1Cl	ZINC000415384654	334612162	/nfs/dbraw/zinc/61/21/62/334612162.db2.gz	VBCHJUAZPQOBQC-CQSZACIVSA-N	0	3	303.793	2.649	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](c1ccccc1)N(C)C	ZINC000416239697	334655804	/nfs/dbraw/zinc/65/58/04/334655804.db2.gz	ADZOCKLTDLUBRG-ZACQAIPSSA-N	0	3	302.418	2.529	20	30		DFEDHN
C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1nccs1	ZINC000328671729	334747201	/nfs/dbraw/zinc/74/72/01/334747201.db2.gz	HMOANFUFAJWIEO-QCNOEVLYSA-N	0	3	307.419	2.667	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn3c(n2)CCCC3)CC1	ZINC000328709731	334750228	/nfs/dbraw/zinc/75/02/28/334750228.db2.gz	MONPJRYYJZALPE-UHFFFAOYSA-N	0	3	302.422	2.565	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[C@]23CCOC3)cc1	ZINC000328906424	334767521	/nfs/dbraw/zinc/76/75/21/334767521.db2.gz	KSWPEVDKCLCUFP-BQFCYCMXSA-N	0	3	318.417	2.681	20	30		DFEDHN
Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1Cl	ZINC000330604437	334794422	/nfs/dbraw/zinc/79/44/22/334794422.db2.gz	ITFLJCRYHUANHZ-AWEZNQCLSA-N	0	3	310.825	2.800	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H](C)c2c(F)cccc2OC)CC1	ZINC000330880662	334817661	/nfs/dbraw/zinc/81/76/61/334817661.db2.gz	BNXRCQNUWUCHHZ-LBPRGKRZSA-N	0	3	323.412	2.883	20	30		DFEDHN
CC(C)c1occc1C(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000331086404	334834253	/nfs/dbraw/zinc/83/42/53/334834253.db2.gz	PKGOYVRQXORDTD-CQSZACIVSA-N	0	3	308.422	2.800	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2sc(CC)nc2C)CC1	ZINC000331202558	334845489	/nfs/dbraw/zinc/84/54/89/334845489.db2.gz	RAEYGLMCUXOPKH-UHFFFAOYSA-N	0	3	308.451	2.990	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1	ZINC000344264974	335234373	/nfs/dbraw/zinc/23/43/73/335234373.db2.gz	OSFAVOCUIWNUNE-QGZVFWFLSA-N	0	3	311.360	2.882	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)cc1	ZINC000344354284	335243586	/nfs/dbraw/zinc/24/35/86/335243586.db2.gz	ORNQBVGGGYTEJJ-SFHVURJKSA-N	0	3	321.428	2.886	20	30		DFEDHN
C[C@H]1CN(C(=O)C2(C#N)CCCCC2)CCN(C2CCC2)C1	ZINC000344721438	335275809	/nfs/dbraw/zinc/27/58/09/335275809.db2.gz	YPSQYFLHEGIDCI-OAHLLOKOSA-N	0	3	303.450	2.793	20	30		DFEDHN
C[C@@H](C#N)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000344801314	335278215	/nfs/dbraw/zinc/27/82/15/335278215.db2.gz	JQOXMNIRWSHYSI-YOEHRIQHSA-N	0	3	313.445	2.735	20	30		DFEDHN
Cc1cc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c(C)s1	ZINC000345112060	335299196	/nfs/dbraw/zinc/29/91/96/335299196.db2.gz	LANXEXVJJQNRRZ-NEPJUHHUSA-N	0	3	305.447	2.967	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000345373057	335325739	/nfs/dbraw/zinc/32/57/39/335325739.db2.gz	BESVURQDSHFGMF-GOEBONIOSA-N	0	3	317.433	2.533	20	30		DFEDHN
CC(C)N1C(=O)N[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21	ZINC000345557074	335334597	/nfs/dbraw/zinc/33/45/97/335334597.db2.gz	ODASOMCDPKCFCN-HUUCEWRRSA-N	0	3	306.454	2.583	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1	ZINC000345966972	335364437	/nfs/dbraw/zinc/36/44/37/335364437.db2.gz	UKGDLEIXSPOZPD-PBHICJAKSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)OCC	ZINC000346180598	335378333	/nfs/dbraw/zinc/37/83/33/335378333.db2.gz	HJHZONADTDNWQX-VQHPVUNQSA-N	0	3	308.466	2.546	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)C[C@H]1CCCCO1	ZINC000346225176	335385829	/nfs/dbraw/zinc/38/58/29/335385829.db2.gz	MKYQDDOIRKJRQO-ZWKOTPCHSA-N	0	3	319.445	2.656	20	30		DFEDHN
Cn1ncc2c1CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000346200538	335389468	/nfs/dbraw/zinc/38/94/68/335389468.db2.gz	RTZJDBQZDURGJB-WBVHZDCISA-N	0	3	322.412	2.686	20	30		DFEDHN
CCOC(=O)CC(C)(C)CCN1CCC(C#N)(COC)CC1	ZINC000347176669	335476002	/nfs/dbraw/zinc/47/60/02/335476002.db2.gz	GEUKGMHWHWYTDK-UHFFFAOYSA-N	0	3	310.438	2.608	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)CC2CCCC2)CC1	ZINC000348047187	335547925	/nfs/dbraw/zinc/54/79/25/335547925.db2.gz	FNGAFWQRTKNDHW-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C[C@@H](CS(=O)(=O)c1ccccc1)NCC(C)(C)CCC#N	ZINC000348203428	335565596	/nfs/dbraw/zinc/56/55/96/335565596.db2.gz	DHGOSPMWQFELDO-AWEZNQCLSA-N	0	3	308.447	2.768	20	30		DFEDHN
N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000348327380	335577667	/nfs/dbraw/zinc/57/76/67/335577667.db2.gz	IYNFPZVLEMCJIG-WMLDXEAASA-N	0	3	319.836	2.559	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2N2CCOCC2)C1	ZINC000442865827	335645500	/nfs/dbraw/zinc/64/55/00/335645500.db2.gz	UWXTZPYRTFYGIH-XJKSGUPXSA-N	0	3	319.836	2.958	20	30		DFEDHN
C=CCc1cc(CNCC[C@@H](O)C(F)(F)F)cc(OC)c1O	ZINC000349321365	335662854	/nfs/dbraw/zinc/66/28/54/335662854.db2.gz	XCMOPAWXOIJOTO-CYBMUJFWSA-N	0	3	319.323	2.532	20	30		DFEDHN
C=CCOc1ccccc1CNCCC1CCS(=O)(=O)CC1	ZINC000350746655	335779236	/nfs/dbraw/zinc/77/92/36/335779236.db2.gz	MRHVDCMKGQTYBF-UHFFFAOYSA-N	0	3	323.458	2.556	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1	ZINC000106036807	335792926	/nfs/dbraw/zinc/79/29/26/335792926.db2.gz	NKZOIAYPZMZXLK-UHFFFAOYSA-N	0	3	323.418	2.735	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCc3occc32)CC1	ZINC000106258836	335796685	/nfs/dbraw/zinc/79/66/85/335796685.db2.gz	USYSCUYDTKPBQM-MRXNPFEDSA-N	0	3	317.433	2.997	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CC1	ZINC000110570037	335894281	/nfs/dbraw/zinc/89/42/81/335894281.db2.gz	ICXVANDXSFCDHR-OALUTQOASA-N	0	3	310.441	2.784	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2nc3ccccc3o2)[C@@H](C)C1	ZINC000351592797	336048308	/nfs/dbraw/zinc/04/83/08/336048308.db2.gz	AMWZTBCWIVMBTH-LSDHHAIUSA-N	0	3	315.417	2.665	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)Cc2cc(F)cc3c2OCOC3)CCN1C	ZINC000329704493	336060968	/nfs/dbraw/zinc/06/09/68/336060968.db2.gz	IVDSITWRXGXFRB-IAQYHMDHSA-N	0	3	322.380	2.674	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000329726414	336070962	/nfs/dbraw/zinc/07/09/62/336070962.db2.gz	OLKBJEOLEUTZCB-MNOVXSKESA-N	0	3	316.430	2.862	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC000329726414	336070964	/nfs/dbraw/zinc/07/09/64/336070964.db2.gz	OLKBJEOLEUTZCB-MNOVXSKESA-N	0	3	316.430	2.862	20	30		DFEDHN
CCc1nnc(C)cc1C(=O)NCCN1CCCC[C@H]1CC	ZINC000329776366	336080544	/nfs/dbraw/zinc/08/05/44/336080544.db2.gz	JVYDBBPWBBMRSO-CQSZACIVSA-N	0	3	304.438	2.917	20	30		DFEDHN
CCc1ocnc1C(=O)NCC1(N2CCCCC2)CCOCC1	ZINC000329778825	336080763	/nfs/dbraw/zinc/08/07/63/336080763.db2.gz	LLMHHBIYUQIJQT-UHFFFAOYSA-N	0	3	321.421	2.577	20	30		DFEDHN
Cc1noc(C2CC2)c1NC(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000329821746	336086388	/nfs/dbraw/zinc/08/63/88/336086388.db2.gz	YTMHSHAQPWZRKL-HNNXBMFYSA-N	0	3	324.450	2.624	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000329822520	336086452	/nfs/dbraw/zinc/08/64/52/336086452.db2.gz	HIQFRJXHSUXQOQ-INIZCTEOSA-N	0	3	315.417	2.878	20	30		DFEDHN
Cc1cnc([C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C2CC2)s1	ZINC000329823651	336086710	/nfs/dbraw/zinc/08/67/10/336086710.db2.gz	ZOGFNONLLFEBNY-GXTWGEPZSA-N	0	3	320.462	2.643	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc2c1OCO2	ZINC000329856515	336089863	/nfs/dbraw/zinc/08/98/63/336089863.db2.gz	UWLHBNKMRXHWOR-LBPRGKRZSA-N	0	3	319.405	2.623	20	30		DFEDHN
CCc1nnc(C)cc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000329917201	336095132	/nfs/dbraw/zinc/09/51/32/336095132.db2.gz	ZFBUKEHTQFHJEK-UHFFFAOYSA-N	0	3	304.438	2.774	20	30		DFEDHN
C[C@H](C(=O)NC[C@@H]1CCc2nccn2C1)N1CCCCCC1	ZINC000329923056	336095942	/nfs/dbraw/zinc/09/59/42/336095942.db2.gz	UGEALKUUQYYNLH-CABCVRRESA-N	0	3	304.438	2.667	20	30		DFEDHN
C[C@H](NC(=O)c1csc(=O)[n-]1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329980489	336102421	/nfs/dbraw/zinc/10/24/21/336102421.db2.gz	LMCANUVQUHLLNH-QWRGUYRKSA-N	0	3	309.435	2.806	20	30		DFEDHN
C[C@H](NC(=O)c1csc(=O)[n-]1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329980489	336102423	/nfs/dbraw/zinc/10/24/23/336102423.db2.gz	LMCANUVQUHLLNH-QWRGUYRKSA-N	0	3	309.435	2.806	20	30		DFEDHN
CN(C)C1(CNC(=O)c2ccnc(OC3CCC3)c2)CCC1	ZINC000329989794	336103203	/nfs/dbraw/zinc/10/32/03/336103203.db2.gz	IKUHXYZPXGQJEI-UHFFFAOYSA-N	0	3	303.406	2.802	20	30		DFEDHN
CN(C)C1(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CCC1	ZINC000329995166	336104057	/nfs/dbraw/zinc/10/40/57/336104057.db2.gz	MXSYGDBUCYESOR-VHSXEESVSA-N	0	3	321.343	2.725	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000330011624	336105800	/nfs/dbraw/zinc/10/58/00/336105800.db2.gz	JFVIVVIATCDLHN-LLVKDONJSA-N	0	3	303.406	2.891	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)NC1CCN(C2CC2)CC1	ZINC000330016956	336106189	/nfs/dbraw/zinc/10/61/89/336106189.db2.gz	QJAAVWWBOSZWDX-UHFFFAOYSA-N	0	3	303.406	2.867	20	30		DFEDHN
O=C(NCc1nnc(C2CC2)o1)[C@@H]1CCCN1C1CCCC1	ZINC000330017508	336106269	/nfs/dbraw/zinc/10/62/69/336106269.db2.gz	RFBBWBQARFUUIY-ZDUSSCGKSA-N	0	3	304.394	2.811	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)CC1	ZINC000330044413	336108877	/nfs/dbraw/zinc/10/88/77/336108877.db2.gz	FSXIJVWSJDXDIW-HZPDHXFCSA-N	0	3	311.470	2.568	20	30		DFEDHN
Cc1nccn1CC[NH+]=C([O-])N1CCOC2(C1)CCCCCC2	ZINC000330065276	336110843	/nfs/dbraw/zinc/11/08/43/336110843.db2.gz	RVWLHRMXTFFQAF-UHFFFAOYSA-N	0	3	320.437	2.531	20	30		DFEDHN
CC(C(=O)NC1(C)CCCCC1)S(=O)(=O)C1CCOCC1	ZINC000330160785	336119634	/nfs/dbraw/zinc/11/96/34/336119634.db2.gz	RIIUJRGRKYQQGA-LBPRGKRZSA-N	0	3	317.451	2.648	20	30		DFEDHN
C[C@@H]1CCCCN(CC(=O)NC[C@H]2COc3ccccc3O2)C1	ZINC000330163868	336119735	/nfs/dbraw/zinc/11/97/35/336119735.db2.gz	SUNTWEJQUPHHIU-CABCVRRESA-N	0	3	318.417	2.905	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCOC3(CCC3)C2)CC1	ZINC000330210239	336124728	/nfs/dbraw/zinc/12/47/28/336124728.db2.gz	IGANJTHBBFNQMJ-INIZCTEOSA-N	0	3	321.465	2.632	20	30		DFEDHN
Cc1nc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)sc1C	ZINC000330211668	336124829	/nfs/dbraw/zinc/12/48/29/336124829.db2.gz	DDSBTVJWCVOGEQ-TVYUQYBPSA-N	0	3	309.435	2.894	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCOC2(CCC2)C1	ZINC000330222547	336126490	/nfs/dbraw/zinc/12/64/90/336126490.db2.gz	RXHIYGIJAZKQCK-PMPSAXMXSA-N	0	3	323.481	2.712	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)o1	ZINC000330250781	336129879	/nfs/dbraw/zinc/12/98/79/336129879.db2.gz	HBNPZQNRFCOXMH-CQSZACIVSA-N	0	3	320.437	2.520	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CC(F)(F)F)C(C)C	ZINC000445898983	338514871	/nfs/dbraw/zinc/51/48/71/338514871.db2.gz	TXQOAUVOUOYRRS-NEPJUHHUSA-N	0	3	307.360	2.561	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(C(=O)NCc3ccccc3)CC2)C1	ZINC000331958819	336154240	/nfs/dbraw/zinc/15/42/40/336154240.db2.gz	PZKLNRKFONCGFB-WMZOPIPTSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#CC1(CCCN2CCc3ccc(O)cc3C2)CCOCC1	ZINC000332516366	336173833	/nfs/dbraw/zinc/17/38/33/336173833.db2.gz	XBAFANMTAOPALL-UHFFFAOYSA-N	0	3	300.402	2.851	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc3n[nH]cc3c(C)c2)CC1	ZINC000332598403	336175556	/nfs/dbraw/zinc/17/55/56/336175556.db2.gz	OCZIEEVMMFLZLI-UHFFFAOYSA-N	0	3	313.405	2.643	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333251969	336200364	/nfs/dbraw/zinc/20/03/64/336200364.db2.gz	YPRKUKNWAXQUGQ-RCJHGTSTSA-N	0	3	317.477	2.943	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@@H]2CCCCN2C2CC2)CC12CCCC2	ZINC000333404375	336203182	/nfs/dbraw/zinc/20/31/82/336203182.db2.gz	JDPVRQIGLKAMFF-YJBOKZPZSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC(C)(C#N)CCN1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000352551002	336224211	/nfs/dbraw/zinc/22/42/11/336224211.db2.gz	SISVMCYNQFDIBC-GFCCVEGCSA-N	0	3	319.371	2.707	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCSC1)C(C)C	ZINC000352607291	336226652	/nfs/dbraw/zinc/22/66/52/336226652.db2.gz	RODHFLLWBWNCRY-CVEARBPZSA-N	0	3	310.507	2.944	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SC(C)C)cc1	ZINC000103499475	336241974	/nfs/dbraw/zinc/24/19/74/336241974.db2.gz	DIFYUZQDNPLOPZ-ZIAGYGMSSA-N	0	3	304.459	2.976	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@H](c2ccccc2)C[C@H]1C	ZINC000527047457	336280970	/nfs/dbraw/zinc/28/09/70/336280970.db2.gz	KPBKQMHEYAQSHC-HLLBOEOZSA-N	0	3	311.429	2.815	20	30		DFEDHN
COCC1(C#N)CCN(Cc2ccccc2-c2ccnn2C)CC1	ZINC000353392060	336414947	/nfs/dbraw/zinc/41/49/47/336414947.db2.gz	ZQBMEUFFICMLIW-UHFFFAOYSA-N	0	3	324.428	2.839	20	30		DFEDHN
C=CCC[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccco1	ZINC000353621009	336429410	/nfs/dbraw/zinc/42/94/10/336429410.db2.gz	KYWQCKRSOBOSJI-DZKIICNBSA-N	0	3	306.406	2.512	20	30		DFEDHN
C=CCc1cc(CNC(=O)[C@@](C)(N)CCC)cc(OC)c1OC	ZINC000353643084	336431027	/nfs/dbraw/zinc/43/10/27/336431027.db2.gz	POIWXCYSLYASKK-SFHVURJKSA-N	0	3	320.433	2.566	20	30		DFEDHN
C=CCOc1cccnc1C(=O)N[C@@H](C)CN1CCCCCC1	ZINC000356243409	336542583	/nfs/dbraw/zinc/54/25/83/336542583.db2.gz	GWLURXDENWAZBP-HNNXBMFYSA-N	0	3	317.433	2.641	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2sccc2C)CC1	ZINC000358148546	336613372	/nfs/dbraw/zinc/61/33/72/336613372.db2.gz	GCJGQGLGEKAGTN-UHFFFAOYSA-N	0	3	307.463	2.896	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000358197690	336616323	/nfs/dbraw/zinc/61/63/23/336616323.db2.gz	FXTLGCIPZACDFC-ZWKOTPCHSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1	ZINC000358815674	336644025	/nfs/dbraw/zinc/64/40/25/336644025.db2.gz	HPNIDIXJNRNQMK-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=C[C@H](C)N[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000360656721	336717704	/nfs/dbraw/zinc/71/77/04/336717704.db2.gz	JSEXKUPAQQRMDA-GWCFXTLKSA-N	0	3	316.854	2.863	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(CC)[C@H]1CCOC1)C(C)C	ZINC000361881049	336776572	/nfs/dbraw/zinc/77/65/72/336776572.db2.gz	VDWXDLAQJULIJL-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000369741042	336870959	/nfs/dbraw/zinc/87/09/59/336870959.db2.gz	KGUTXBBUXRTOKS-CVEARBPZSA-N	0	3	313.445	2.923	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(C)nc1)C(C)C	ZINC000120085546	336895740	/nfs/dbraw/zinc/89/57/40/336895740.db2.gz	VWTRMMVLRVGWIC-GOSISDBHSA-N	0	3	315.461	2.747	20	30		DFEDHN
COCCn1ncc2c1[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCC2	ZINC000373204433	336952534	/nfs/dbraw/zinc/95/25/34/336952534.db2.gz	IAAVHTILKDGXEK-VNQPRFMTSA-N	0	3	302.422	2.579	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1	ZINC000374981035	337001027	/nfs/dbraw/zinc/00/10/27/337001027.db2.gz	QFOVHCFXWJBQPQ-HKUYNNGSSA-N	0	3	316.445	2.778	20	30		DFEDHN
CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(C)c1	ZINC000122875861	337027588	/nfs/dbraw/zinc/02/75/88/337027588.db2.gz	BQZBZRAIIFRMSO-CYBMUJFWSA-N	0	3	320.352	2.604	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000377208975	337048765	/nfs/dbraw/zinc/04/87/65/337048765.db2.gz	POICHJZOVBARBH-NRFANRHFSA-N	0	3	322.452	2.678	20	30		DFEDHN
CC[C@@H](C)[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000582454067	337055181	/nfs/dbraw/zinc/05/51/81/337055181.db2.gz	LQKLJGLPASUINR-HZPDHXFCSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCN(C(=O)CSC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377571013	337055433	/nfs/dbraw/zinc/05/54/33/337055433.db2.gz	BTLVVAVKQWLFBY-MRXNPFEDSA-N	0	3	304.459	2.639	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1	ZINC000377890263	337063452	/nfs/dbraw/zinc/06/34/52/337063452.db2.gz	TXBGBIYLSSNUEN-GDBMZVCRSA-N	0	3	310.401	2.700	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCCC2)C1	ZINC000378575770	337075939	/nfs/dbraw/zinc/07/59/39/337075939.db2.gz	XLIKIFFVWMFRIE-CVEARBPZSA-N	0	3	309.454	2.654	20	30		DFEDHN
CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(OCC#N)cc1	ZINC000194174089	337082487	/nfs/dbraw/zinc/08/24/87/337082487.db2.gz	SIFJBGFNOZZGQN-UONOGXRCSA-N	0	3	303.406	2.544	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@@H](C)C1	ZINC000170901470	337085383	/nfs/dbraw/zinc/08/53/83/337085383.db2.gz	JTLKYRCFTSLFSR-HOCLYGCPSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)CC1	ZINC000170946161	337085560	/nfs/dbraw/zinc/08/55/60/337085560.db2.gz	VJAMVNLLVVBRNS-ROUUACIJSA-N	0	3	314.429	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000171717693	337088792	/nfs/dbraw/zinc/08/87/92/337088792.db2.gz	VNIKGULAHURACS-ARFHVFGLSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCCCCCN(C)[C@@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000173495429	337135095	/nfs/dbraw/zinc/13/50/95/337135095.db2.gz	BZPRMINLZCALPN-OAHLLOKOSA-N	0	3	304.438	2.512	20	30		DFEDHN
C#CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000174127111	337139426	/nfs/dbraw/zinc/13/94/26/337139426.db2.gz	ZHZVYRUPVMXKJC-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CN1C1CC1	ZINC000177102832	337154337	/nfs/dbraw/zinc/15/43/37/337154337.db2.gz	BTBMTRSBFKXJHE-JSGCOSHPSA-N	0	3	315.442	2.657	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1	ZINC000177184929	337155557	/nfs/dbraw/zinc/15/55/57/337155557.db2.gz	FQVJMNUZMOUYGU-ZFWWWQNUSA-N	0	3	300.402	2.606	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000181124365	337178164	/nfs/dbraw/zinc/17/81/64/337178164.db2.gz	OKQXGPYTYZSTRA-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)cc2)CC1	ZINC000181503384	337182724	/nfs/dbraw/zinc/18/27/24/337182724.db2.gz	BDNSSOLCFFZZEA-KRWDZBQOSA-N	0	3	309.413	2.552	20	30		DFEDHN
CC#CCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000185419183	337205274	/nfs/dbraw/zinc/20/52/74/337205274.db2.gz	YQTJKPDAXAAFTP-CALCHBBNSA-N	0	3	320.477	2.528	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000185419035	337205277	/nfs/dbraw/zinc/20/52/77/337205277.db2.gz	JACGFKQASMLRMI-ULQDDVLXSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)ccn1C)C(C)C	ZINC000189795062	337281349	/nfs/dbraw/zinc/28/13/49/337281349.db2.gz	WWQKVASWXQMLCH-INIZCTEOSA-N	0	3	303.450	2.762	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(OC[C@H]2CCCO2)cc1	ZINC000191756448	337299955	/nfs/dbraw/zinc/29/99/55/337299955.db2.gz	JOGDZDGVNUVSMT-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1cccc(CN2CCCC2)c1	ZINC000191961347	337301479	/nfs/dbraw/zinc/30/14/79/337301479.db2.gz	VLVOVQBZZSANST-UHFFFAOYSA-N	0	3	302.418	2.557	20	30		DFEDHN
C=CCCC[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000398142223	337307205	/nfs/dbraw/zinc/30/72/05/337307205.db2.gz	ARWNNGBQHINLIX-AWEZNQCLSA-N	0	3	306.431	2.666	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1	ZINC000583715057	337317668	/nfs/dbraw/zinc/31/76/68/337317668.db2.gz	RDBDPWQNQGZGKL-NSHGMRRFSA-N	0	3	324.424	2.929	20	30		DFEDHN
N#CCCCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000054215313	337453149	/nfs/dbraw/zinc/45/31/49/337453149.db2.gz	KSTOLWIJVWDWGB-UHFFFAOYSA-N	0	3	306.797	2.689	20	30		DFEDHN
C#CCOc1ccccc1CNCC[C@H]1C(=O)Nc2ccccc21	ZINC000194815840	337463837	/nfs/dbraw/zinc/46/38/37/337463837.db2.gz	SOWMLPNZXBHCDT-QGZVFWFLSA-N	0	3	320.392	2.914	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)NCC2(C#N)CCC2)N(C)C)cc1	ZINC000419446381	337484771	/nfs/dbraw/zinc/48/47/71/337484771.db2.gz	OLYCIJXOCJJMJA-MRXNPFEDSA-N	0	3	314.433	2.591	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@@H](CC)C2)CC1	ZINC000420795599	337510987	/nfs/dbraw/zinc/51/09/87/337510987.db2.gz	SWLNCZHJYYLSOT-CALCHBBNSA-N	0	3	323.481	2.626	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H](CN2CCOCC2)c2ccccc2)C1	ZINC000248890013	337568287	/nfs/dbraw/zinc/56/82/87/337568287.db2.gz	SOLWQDPLDRAYAX-NZSAHSFTSA-N	0	3	313.445	2.732	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC=C(C(F)(F)F)CC2)CC1	ZINC000270405810	337640958	/nfs/dbraw/zinc/64/09/58/337640958.db2.gz	DAHBBISLBJFNGW-UHFFFAOYSA-N	0	3	317.355	2.541	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000580451008	337677199	/nfs/dbraw/zinc/67/71/99/337677199.db2.gz	VBHPGDPOVXHBKB-USXIJHARSA-N	0	3	308.466	2.546	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(CCc2ccccc2)CC1	ZINC000424059262	337730965	/nfs/dbraw/zinc/73/09/65/337730965.db2.gz	ATMRXIRERSYWLO-GOSISDBHSA-N	0	3	313.445	2.879	20	30		DFEDHN
C=CCN(C(=O)[C@H](N)CCCC#N)c1nc2c(s1)CCCC2	ZINC000424076453	337731335	/nfs/dbraw/zinc/73/13/35/337731335.db2.gz	LWOHDXXGRUKMLO-GFCCVEGCSA-N	0	3	318.446	2.562	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424124142	337748859	/nfs/dbraw/zinc/74/88/59/337748859.db2.gz	LMXQHAADSGYXPL-SJORKVTESA-N	0	3	319.424	2.872	20	30		DFEDHN
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](N)CCCC#N	ZINC000424129075	337749966	/nfs/dbraw/zinc/74/99/66/337749966.db2.gz	SFUUINNVKYHAMZ-ZBFHGGJFSA-N	0	3	317.433	2.810	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ncc(-c2ccccc2)o1	ZINC000424135061	337754366	/nfs/dbraw/zinc/75/43/66/337754366.db2.gz	YXIUANDBWFZATD-JSGCOSHPSA-N	0	3	312.373	2.540	20	30		DFEDHN
CC1(C)CC[C@@H](CNC(=O)[C@H](N)CCCC#N)c2ccccc21	ZINC000424165819	337789675	/nfs/dbraw/zinc/78/96/75/337789675.db2.gz	FJJVPPDSYPADGM-WMLDXEAASA-N	0	3	313.445	2.979	20	30		DFEDHN
N#CCCOCCN1CCC(Oc2cncc(Cl)c2)CC1	ZINC000516086389	338004276	/nfs/dbraw/zinc/00/42/76/338004276.db2.gz	SKUQIPPYOVSIPZ-UHFFFAOYSA-N	0	3	309.797	2.508	20	30		DFEDHN
CCC[C@@]1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000426137593	338020967	/nfs/dbraw/zinc/02/09/67/338020967.db2.gz	FXXSIGZWWCYJIY-IEBWSBKVSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCCC(F)(F)C2)CC1	ZINC000426366562	338029023	/nfs/dbraw/zinc/02/90/23/338029023.db2.gz	QGPPQGWHOZCRES-ZDUSSCGKSA-N	0	3	301.381	2.514	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC	ZINC000429319174	338077604	/nfs/dbraw/zinc/07/76/04/338077604.db2.gz	TUEAPYQXGJWEIF-DJIMGWMZSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)c1cn(-c2ccccc2)nn1	ZINC000429706444	338087744	/nfs/dbraw/zinc/08/77/44/338087744.db2.gz	GBYOVPNXGXBXTN-INIZCTEOSA-N	0	3	313.449	2.768	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2cccc(C)c2)no1	ZINC000429722046	338088252	/nfs/dbraw/zinc/08/82/52/338088252.db2.gz	XXNWSLDRDVEMDA-UHFFFAOYSA-N	0	3	314.433	2.985	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(Cc2ccccc2)no1	ZINC000429728393	338088599	/nfs/dbraw/zinc/08/85/99/338088599.db2.gz	XGGAEEIHNLAVCC-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncc(F)cc1F)C(C)C	ZINC000429807994	338090423	/nfs/dbraw/zinc/09/04/23/338090423.db2.gz	VWYMEEQYTVIZNG-OAHLLOKOSA-N	0	3	323.387	2.788	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC(F)(F)C2)CC1	ZINC000430566872	338108881	/nfs/dbraw/zinc/10/88/81/338108881.db2.gz	DOAPTJGEPZARAX-CYBMUJFWSA-N	0	3	315.408	2.762	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	ZINC000431513210	338133012	/nfs/dbraw/zinc/13/30/12/338133012.db2.gz	JUPMTZXSUZWOIU-DTWKUNHWSA-N	0	3	304.737	2.727	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCCNC(=O)C2CCC2)cc1	ZINC000432788133	338167782	/nfs/dbraw/zinc/16/77/82/338167782.db2.gz	JRNJRXHRWKHONI-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1	ZINC000433018512	338176420	/nfs/dbraw/zinc/17/64/20/338176420.db2.gz	ICBANXKHFSBBSH-PKOBYXMFSA-N	0	3	324.428	2.820	20	30		DFEDHN
N#CCCC[C@H](NCC(=O)NCc1ccco1)c1ccccc1	ZINC000433021914	338176686	/nfs/dbraw/zinc/17/66/86/338176686.db2.gz	ZMECAXMIDCRQBI-KRWDZBQOSA-N	0	3	311.385	2.921	20	30		DFEDHN
N#CCCC[C@@H](NCC(=O)NCc1cccnc1)c1ccccc1	ZINC000433024437	338176919	/nfs/dbraw/zinc/17/69/19/338176919.db2.gz	XEMMJSQJFOPRJP-GOSISDBHSA-N	0	3	322.412	2.723	20	30		DFEDHN
Cc1cc(C)n(CCCNC(=O)C(C#N)CCc2ccccc2)n1	ZINC000433111047	338182231	/nfs/dbraw/zinc/18/22/31/338182231.db2.gz	RIHGBAUBFWBYES-GOSISDBHSA-N	0	3	324.428	2.779	20	30		DFEDHN
CN(C[C@H]1CCCCO1)C(=O)C(C#N)CCc1ccccc1	ZINC000433312283	338191683	/nfs/dbraw/zinc/19/16/83/338191683.db2.gz	LGFAQUVRMZYVDX-DLBZAZTESA-N	0	3	300.402	2.786	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)C1CCC(CO)CC1	ZINC000433370457	338194082	/nfs/dbraw/zinc/19/40/82/338194082.db2.gz	GRAMEDMXPVCPLQ-ADKAHSJRSA-N	0	3	314.429	2.768	20	30		DFEDHN
C=CCN(C)Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000154791862	338252762	/nfs/dbraw/zinc/25/27/62/338252762.db2.gz	ZYMLZYNQEZDVMR-CQSZACIVSA-N	0	3	320.433	2.559	20	30		DFEDHN
C=CCOc1ccc(CN[C@@]2(CO)C[C@@H](OCC)C2(C)C)cc1	ZINC000436394832	338270640	/nfs/dbraw/zinc/27/06/40/338270640.db2.gz	URRKSPFDUJLLED-IEBWSBKVSA-N	0	3	319.445	2.907	20	30		DFEDHN
CCc1ccnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000437700086	338318656	/nfs/dbraw/zinc/31/86/56/338318656.db2.gz	RXFDNMBOTRUOBS-KRWDZBQOSA-N	0	3	318.380	2.514	20	30		DFEDHN
OCC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000438066174	338329566	/nfs/dbraw/zinc/32/95/66/338329566.db2.gz	OWZIBOWZWAXFJH-AWEZNQCLSA-N	0	3	313.319	2.641	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000438324301	338339662	/nfs/dbraw/zinc/33/96/62/338339662.db2.gz	FEQLYSXTEGVXMA-MRXNPFEDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N(C)C1CCCCC1	ZINC000439010748	338358433	/nfs/dbraw/zinc/35/84/33/338358433.db2.gz	XLPCYVPRVQOHHY-MRXNPFEDSA-N	0	3	309.498	2.606	20	30		DFEDHN
CC(C)(CNC(=O)NCC1CCC(C#N)CC1)N1CCCCC1	ZINC000441013883	338400867	/nfs/dbraw/zinc/40/08/67/338400867.db2.gz	OHNNFVUNNTWBCO-UHFFFAOYSA-N	0	3	320.481	2.880	20	30		DFEDHN
CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1	ZINC000442723511	338429080	/nfs/dbraw/zinc/42/90/80/338429080.db2.gz	ZGBJQPMZLOSSPR-HOCLYGCPSA-N	0	3	300.406	2.998	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)CC2CCN(C)CC2)cc1	ZINC000448914926	338579676	/nfs/dbraw/zinc/57/96/76/338579676.db2.gz	UEPNURUXDKNXNT-UHFFFAOYSA-N	0	3	316.445	2.594	20	30		DFEDHN
C=CCCOCCNCc1cnn(-c2ccc(OC)cc2)c1	ZINC000449201527	338602029	/nfs/dbraw/zinc/60/20/29/338602029.db2.gz	DYAGSDUUEWKCKR-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
C=CCCOCCNCc1cn(C)nc1-c1ccc(F)cc1	ZINC000449204720	338602339	/nfs/dbraw/zinc/60/23/39/338602339.db2.gz	KFAYRZVHONABNT-UHFFFAOYSA-N	0	3	303.381	2.909	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000451487305	338736610	/nfs/dbraw/zinc/73/66/10/338736610.db2.gz	BMALEYBSMNTNGT-LSDHHAIUSA-N	0	3	321.465	2.511	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000451607348	338740247	/nfs/dbraw/zinc/74/02/47/338740247.db2.gz	PQLXHXVPQMMMIY-YJNKXOJESA-N	0	3	320.458	2.733	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2ccc(F)cc2C)C1=O	ZINC000451609806	338740341	/nfs/dbraw/zinc/74/03/41/338740341.db2.gz	WFPMVZMKQHSHRM-INMHGKMJSA-N	0	3	318.392	2.563	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCOC1(C)C)C(C)C	ZINC000455257580	338887635	/nfs/dbraw/zinc/88/76/35/338887635.db2.gz	RHPMQRLRQVTRQX-JKSUJKDBSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=C(CC)CNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000455521624	338897656	/nfs/dbraw/zinc/89/76/56/338897656.db2.gz	KYWDETHVEWXKRW-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455916172	338914386	/nfs/dbraw/zinc/91/43/86/338914386.db2.gz	ICGVBIDPBCLMKC-UHFFFAOYSA-N	0	3	300.406	2.606	20	30		DFEDHN
N#C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccccc1F	ZINC000457521157	338967803	/nfs/dbraw/zinc/96/78/03/338967803.db2.gz	MRZZNHIQJPAKJE-KRWDZBQOSA-N	0	3	315.392	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccc(F)c(F)c32)CC1	ZINC000458317300	338995806	/nfs/dbraw/zinc/99/58/06/338995806.db2.gz	BWUZZLSVRGZFBC-UHFFFAOYSA-N	0	3	321.371	2.687	20	30		DFEDHN
CN1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccccc1	ZINC000458565999	339001016	/nfs/dbraw/zinc/00/10/16/339001016.db2.gz	BTWYQFNBUHADTM-HZPDHXFCSA-N	0	3	314.433	2.671	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000458578156	339001277	/nfs/dbraw/zinc/00/12/77/339001277.db2.gz	MMFMGYMTBBDFBD-HNNXBMFYSA-N	0	3	302.422	2.671	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000458750248	339004650	/nfs/dbraw/zinc/00/46/50/339004650.db2.gz	FAYYXSYQPUFYQA-GOEBONIOSA-N	0	3	302.422	2.671	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000458987561	339010204	/nfs/dbraw/zinc/01/02/04/339010204.db2.gz	MIXPYNJXIYGNEL-HNNXBMFYSA-N	0	3	307.413	2.940	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000459075214	339012897	/nfs/dbraw/zinc/01/28/97/339012897.db2.gz	LBWKZGDHEUOFDC-QGZVFWFLSA-N	0	3	316.449	2.511	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)N1CCN(C2CCCCC2)CC1	ZINC000459252682	339017810	/nfs/dbraw/zinc/01/78/10/339017810.db2.gz	CKDZMPDKKOTHBQ-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC=C(F)C1)C(C)C	ZINC000462128738	339072714	/nfs/dbraw/zinc/07/27/14/339072714.db2.gz	NWXNYYZQWVSLJL-MRXNPFEDSA-N	0	3	309.429	2.954	20	30		DFEDHN
C=CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1	ZINC000463269604	339112663	/nfs/dbraw/zinc/11/26/63/339112663.db2.gz	BHOPFBRTHUPVHO-CRAIPNDOSA-N	0	3	313.445	2.867	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000468006460	339251054	/nfs/dbraw/zinc/25/10/54/339251054.db2.gz	RLMKUCCRPOXNJK-GOSISDBHSA-N	0	3	300.446	2.804	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1CCCC	ZINC000473169404	339383410	/nfs/dbraw/zinc/38/34/10/339383410.db2.gz	JKWAJZRTCQYTGR-WMZOPIPTSA-N	0	3	310.482	2.986	20	30		DFEDHN
CC#CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000483056783	339650601	/nfs/dbraw/zinc/65/06/01/339650601.db2.gz	WPLRSAYKTMQIQW-HNNXBMFYSA-N	0	3	301.434	2.828	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@H]1Oc1cccc(C)c1	ZINC000484641671	339691374	/nfs/dbraw/zinc/69/13/74/339691374.db2.gz	IQNKFHVFFOALDN-DLBZAZTESA-N	0	3	302.418	2.577	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c(C)cccc2Cl)CC1	ZINC000488856660	339795285	/nfs/dbraw/zinc/79/52/85/339795285.db2.gz	OZSJKCMTWZMMCI-UHFFFAOYSA-N	0	3	306.837	2.958	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000491620354	339868859	/nfs/dbraw/zinc/86/88/59/339868859.db2.gz	GEAHBFLRVHCWGE-ZMSDIMECSA-N	0	3	301.434	2.649	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)CC1	ZINC000491902439	339886402	/nfs/dbraw/zinc/88/64/02/339886402.db2.gz	CIZCMINPMVGBDY-RMKNXTFCSA-N	0	3	316.832	2.957	20	30		DFEDHN
C#Cc1ccc(CN2CCC(N(C)C(=O)OCC)CC2)cc1	ZINC000495735998	339991176	/nfs/dbraw/zinc/99/11/76/339991176.db2.gz	ZFZFKKZSIRZDMX-UHFFFAOYSA-N	0	3	300.402	2.721	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C	ZINC000496220710	340000871	/nfs/dbraw/zinc/00/08/71/340000871.db2.gz	ZPDHOFYNEASJDE-MQYQWHSLSA-N	0	3	323.437	2.544	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC[C@@H](C#N)CCC#N	ZINC000496702622	340010856	/nfs/dbraw/zinc/01/08/56/340010856.db2.gz	PKDQOGOFIDFDKM-KFWWJZLASA-N	0	3	320.437	2.665	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000497112053	340020589	/nfs/dbraw/zinc/02/05/89/340020589.db2.gz	YNHWXVHNJGFSSQ-RBSFLKMASA-N	0	3	307.438	2.867	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2CCc3ccccc3[C@H]2CN)c1	ZINC000517369889	340468681	/nfs/dbraw/zinc/46/86/81/340468681.db2.gz	BQMRBZRXSRVTGE-GOSISDBHSA-N	0	3	320.396	2.843	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2Cc3c2cccc3Cl)CC1	ZINC000528447899	340719604	/nfs/dbraw/zinc/71/96/04/340719604.db2.gz	IMEQDGWFFOIMEM-OAHLLOKOSA-N	0	3	304.821	2.746	20	30		DFEDHN
C=C(C)COCCNCc1cccc(OC)c1OC(F)F	ZINC000125794662	340809124	/nfs/dbraw/zinc/80/91/24/340809124.db2.gz	KJTLJIOULRMJIS-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1cscn1)C(C)C	ZINC000127407218	340850433	/nfs/dbraw/zinc/85/04/33/340850433.db2.gz	FIHGKOISQSTTHJ-OAHLLOKOSA-N	0	3	322.478	2.641	20	30		DFEDHN
N#CCC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000542881001	341024949	/nfs/dbraw/zinc/02/49/49/341024949.db2.gz	IXQBUSBMFXIHOR-CQSZACIVSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CCCC1	ZINC000565187106	341038401	/nfs/dbraw/zinc/03/84/01/341038401.db2.gz	DCMAIRLYJPKPIY-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC(CC#N)CC2)c1	ZINC000543768351	341057696	/nfs/dbraw/zinc/05/76/96/341057696.db2.gz	WNCYNIFCFOHVNA-UHFFFAOYSA-N	0	3	300.406	2.906	20	30		DFEDHN
N#CC(=C([O-])c1ccc([C@@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446837	341125297	/nfs/dbraw/zinc/12/52/97/341125297.db2.gz	VXJVASHEKBABOO-CVEARBPZSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446837	341125298	/nfs/dbraw/zinc/12/52/98/341125298.db2.gz	VXJVASHEKBABOO-CVEARBPZSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccncn1	ZINC000546859569	341183952	/nfs/dbraw/zinc/18/39/52/341183952.db2.gz	LTQAOQBFQUEEEP-CVEARBPZSA-N	0	3	323.352	2.524	20	30		DFEDHN
C=CCOc1ccccc1CNC1CCN(C(=O)OCC)CC1	ZINC000078651273	341245706	/nfs/dbraw/zinc/24/57/06/341245706.db2.gz	JRUMJAQUOJAEGN-UHFFFAOYSA-N	0	3	318.417	2.962	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(SCC#N)c1)N(C)C1CC1	ZINC000079540995	341260930	/nfs/dbraw/zinc/26/09/30/341260930.db2.gz	UKQZLAVGTIBCPS-GFCCVEGCSA-N	0	3	303.431	2.515	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc(SCC#N)c1	ZINC000079545889	341261047	/nfs/dbraw/zinc/26/10/47/341261047.db2.gz	WAHXUPGMDNZXJJ-AWEZNQCLSA-N	0	3	317.458	2.716	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN(CCC(C)(C)C)CC1	ZINC000549638254	341299835	/nfs/dbraw/zinc/29/98/35/341299835.db2.gz	OIKLCNWWWRFEIW-UHFFFAOYSA-N	0	3	319.497	2.975	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](C)[C@@H]2CO)ccc1OC	ZINC000249037703	341392483	/nfs/dbraw/zinc/39/24/83/341392483.db2.gz	CNCLRVPRRRGGFV-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
CC1(C)[C@H](O)C[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000565159753	341518807	/nfs/dbraw/zinc/51/88/07/341518807.db2.gz	AJOHYIARUIUMKF-ZIAGYGMSSA-N	0	3	313.319	2.686	20	30		DFEDHN
CCOC(=O)c1cc(CNCc2ccc(CC#N)cc2)[nH]c1C	ZINC000565304597	341523296	/nfs/dbraw/zinc/52/32/96/341523296.db2.gz	WEWWJVQKAWTYSM-UHFFFAOYSA-N	0	3	311.385	2.856	20	30		DFEDHN
Cc1ccc(NCCCNC[C@H](C#N)CCC#N)c([N+](=O)[O-])c1	ZINC000566884111	341570765	/nfs/dbraw/zinc/57/07/65/341570765.db2.gz	CZKXSZFEVIFPDG-AWEZNQCLSA-N	0	3	315.377	2.738	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1nc2ccccc2s1	ZINC000572712519	341701442	/nfs/dbraw/zinc/70/14/42/341701442.db2.gz	FPLDIMJGWUTKPL-YPMHNXCESA-N	0	3	317.414	2.558	20	30		DFEDHN
CC[C@@H](CC#N)NCCCC(=O)Nc1ccccc1C(C)=O	ZINC000575879362	341812495	/nfs/dbraw/zinc/81/24/95/341812495.db2.gz	RPQRACZBRTWDIO-AWEZNQCLSA-N	0	3	301.390	2.890	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)CN(C2CCC2)C1=O)C(C)C	ZINC000349240858	341967040	/nfs/dbraw/zinc/96/70/40/341967040.db2.gz	HLXUDQRSNIAZOF-MRXNPFEDSA-N	0	3	319.449	2.502	20	30		DFEDHN
COc1cccc([C@@H](CNc2cc(C)nc(C#N)c2)N(C)C)c1	ZINC000308281566	533721764	/nfs/dbraw/zinc/72/17/64/533721764.db2.gz	VKOCRCGYOHNSKD-GOSISDBHSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@@H](O)C[C@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000323766208	533758394	/nfs/dbraw/zinc/75/83/94/533758394.db2.gz	XQWDMFIUSWWWTG-RHSMWYFYSA-N	0	3	315.417	2.512	20	30		DFEDHN
COCC[C@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1	ZINC000364253925	521986245	/nfs/dbraw/zinc/98/62/45/521986245.db2.gz	MOAXKSFKSMJEHB-OAHLLOKOSA-N	0	3	312.417	2.845	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H](c2cc(C)[nH]n2)C1	ZINC000363500971	523523180	/nfs/dbraw/zinc/52/31/80/523523180.db2.gz	UCJQABMYJMRXCC-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H](c2cc(C)n[nH]2)C1	ZINC000363500971	523523183	/nfs/dbraw/zinc/52/31/83/523523183.db2.gz	UCJQABMYJMRXCC-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@@H]1c2ccccc2CC[C@H]1CO	ZINC000365227095	526747022	/nfs/dbraw/zinc/74/70/22/526747022.db2.gz	XQYYSVOLUZMZCH-PXNSSMCTSA-N	0	3	322.408	2.823	20	30		DFEDHN
CC(C)[C@]1(CO)CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000293074547	527991476	/nfs/dbraw/zinc/99/14/76/527991476.db2.gz	OLCORSAHOFMASV-GOSISDBHSA-N	0	3	302.418	2.668	20	30		DFEDHN
CCC[C@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301984813	528402844	/nfs/dbraw/zinc/40/28/44/528402844.db2.gz	CHKVWPCCKRDRKU-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCCOCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000680628753	545521655	/nfs/dbraw/zinc/52/16/55/545521655.db2.gz	XDBZVMZAJQOQQR-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCCOCc1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000680746022	545537365	/nfs/dbraw/zinc/53/73/65/545537365.db2.gz	GVUNJVBZARRCJF-UHFFFAOYSA-N	0	3	317.389	2.770	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1ccccc1Cl	ZINC000681457825	545643093	/nfs/dbraw/zinc/64/30/93/545643093.db2.gz	KAIRADPAOBDLAF-MAUKXSAKSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000682385687	545835448	/nfs/dbraw/zinc/83/54/48/545835448.db2.gz	QFKMPFCJAPPQEG-YJBOKZPZSA-N	0	3	304.434	2.695	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccn(CC)c2)CC1	ZINC000682864599	545930731	/nfs/dbraw/zinc/93/07/31/545930731.db2.gz	XZQQRZLQRCWAAY-UHFFFAOYSA-N	0	3	318.465	2.690	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1	ZINC000684205868	546172656	/nfs/dbraw/zinc/17/26/56/546172656.db2.gz	URHKCXFPLAKQPG-DZKIICNBSA-N	0	3	312.454	2.529	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824618595	607909802	/nfs/dbraw/zinc/90/98/02/607909802.db2.gz	PUMXZEVQBXSCQT-GFCCVEGCSA-N	0	3	304.357	2.589	20	30		DFEDHN
C=CCSCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000823937001	608519703	/nfs/dbraw/zinc/51/97/03/608519703.db2.gz	DHWFFCUVKFOWOW-HNNXBMFYSA-N	0	3	315.446	2.753	20	30		DFEDHN
C=CCSCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000823937001	608519704	/nfs/dbraw/zinc/51/97/04/608519704.db2.gz	DHWFFCUVKFOWOW-HNNXBMFYSA-N	0	3	315.446	2.753	20	30		DFEDHN
CCCCOC[C@H](O)CN(CCC)Cc1ccc(C#N)cc1	ZINC000278552566	214232507	/nfs/dbraw/zinc/23/25/07/214232507.db2.gz	APAAAUICGAYHDK-GOSISDBHSA-N	0	3	304.434	2.948	20	30		DFEDHN
CCCCOC[C@@H](O)CN(CCC)Cc1ccc(C#N)cc1	ZINC000278552568	214232959	/nfs/dbraw/zinc/23/29/59/214232959.db2.gz	APAAAUICGAYHDK-SFHVURJKSA-N	0	3	304.434	2.948	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](COC)[C@@H]2CCCO2)cc1OC	ZINC000278609628	214272098	/nfs/dbraw/zinc/27/20/98/214272098.db2.gz	ISZLWGIAHJUGTH-HOTGVXAUSA-N	0	3	321.417	2.544	20	30		DFEDHN
Cn1cc(CN(CCCCO)C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000305823283	231067077	/nfs/dbraw/zinc/06/70/77/231067077.db2.gz	LUXCMYPNIWZSGE-UHFFFAOYSA-N	0	3	324.428	2.696	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C=CCC1	ZINC000065931064	398351211	/nfs/dbraw/zinc/35/12/11/398351211.db2.gz	GWJVJKMOFDXBRI-MRXNPFEDSA-N	0	3	311.429	2.805	20	30		DFEDHN
COc1cc(OC)cc(N2CC[C@H](N(C)CCCC#N)C2)c1	ZINC000081570224	398359349	/nfs/dbraw/zinc/35/93/49/398359349.db2.gz	NGDSTURQKSJUDO-AWEZNQCLSA-N	0	3	303.406	2.518	20	30		DFEDHN
CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000008003926	398367767	/nfs/dbraw/zinc/36/77/67/398367767.db2.gz	RUSCWMWVPJOTJQ-ZWKOTPCHSA-N	0	3	317.408	2.921	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000008003927	398367977	/nfs/dbraw/zinc/36/79/77/398367977.db2.gz	RUSCWMWVPJOTJQ-QZTJIDSGSA-N	0	3	317.408	2.921	20	30		DFEDHN
Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596255152	398369293	/nfs/dbraw/zinc/36/92/93/398369293.db2.gz	KSRFMGDTDGCIPC-GFCCVEGCSA-N	0	3	314.389	2.695	20	30		DFEDHN
N#CCCNC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000578232437	398371701	/nfs/dbraw/zinc/37/17/01/398371701.db2.gz	SOQGUHCMZWCKIY-UHFFFAOYSA-N	0	3	310.401	2.809	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C1	ZINC000579486949	398380463	/nfs/dbraw/zinc/38/04/63/398380463.db2.gz	ALTARJVCJMDVSK-NXHRZFHOSA-N	0	3	307.397	2.871	20	30		DFEDHN
CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000579223523	398379186	/nfs/dbraw/zinc/37/91/86/398379186.db2.gz	SWXKPHSXLKSILN-MRXNPFEDSA-N	0	3	311.429	2.817	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(OCC(=C)C)c2)CC1	ZINC000066462916	398379471	/nfs/dbraw/zinc/37/94/71/398379471.db2.gz	HJSWBWFHWJAURY-UHFFFAOYSA-N	0	3	312.413	2.925	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccncc2C#N)C1	ZINC000592126431	398388281	/nfs/dbraw/zinc/38/82/81/398388281.db2.gz	OFZSPXVJWDRKAQ-KRWDZBQOSA-N	0	3	320.440	2.907	20	30		DFEDHN
CSc1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)cc1	ZINC000581246750	398388960	/nfs/dbraw/zinc/38/89/60/398388960.db2.gz	FMGXJYIFUFTYEJ-ZDUSSCGKSA-N	0	3	308.447	2.678	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(N3CCCC3=O)CC2)c1	ZINC000132001568	334938113	/nfs/dbraw/zinc/93/81/13/334938113.db2.gz	QCTZRPGZTICTAX-UHFFFAOYSA-N	0	3	314.429	2.838	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(CCc2ccccn2)CC1	ZINC000092645223	185331066	/nfs/dbraw/zinc/33/10/66/185331066.db2.gz	DPSHBWPJCAVCIL-UHFFFAOYSA-N	0	3	324.428	2.685	20	30		DFEDHN
Cc1ccccc1C1(NC[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000592137231	398390615	/nfs/dbraw/zinc/39/06/15/398390615.db2.gz	HIVSUOMWBKPHEB-QGZVFWFLSA-N	0	3	322.408	2.885	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN2CC[C@H](CO)C2)c1	ZINC000092764709	185339132	/nfs/dbraw/zinc/33/91/32/185339132.db2.gz	NNQKGWJRCWSMHV-KRWDZBQOSA-N	0	3	322.408	2.951	20	30		DFEDHN
N#Cc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1	ZINC000015297607	398395103	/nfs/dbraw/zinc/39/51/03/398395103.db2.gz	NPYNZWVSKZEXRG-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CCC#N)CC1	ZINC000582000895	398394674	/nfs/dbraw/zinc/39/46/74/398394674.db2.gz	KOQOTYJPCUTOML-BZUAXINKSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)ccn1	ZINC000592165771	398395911	/nfs/dbraw/zinc/39/59/11/398395911.db2.gz	FOZNNJIQYVVHNA-PMACEKPBSA-N	0	3	321.424	2.911	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](c1ccc(OC)cc1)C(C)C	ZINC000272805557	210207581	/nfs/dbraw/zinc/20/75/81/210207581.db2.gz	CDJQWBHDNQHJTN-INIZCTEOSA-N	0	3	311.447	2.583	20	30		DFEDHN
CCCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCN(C)C1	ZINC000592263358	398408986	/nfs/dbraw/zinc/40/89/86/398408986.db2.gz	SKYXBTNHVCNRIQ-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
N#Cc1ccc(NCC2CCN(Cc3ccncc3)CC2)cn1	ZINC000596441134	398412875	/nfs/dbraw/zinc/41/28/75/398412875.db2.gz	OLESKSPMBPDCPU-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cccc(C#N)c1	ZINC000181651864	199333146	/nfs/dbraw/zinc/33/31/46/199333146.db2.gz	XJEYOGLGLJCZFE-CQSZACIVSA-N	0	3	323.396	2.735	20	30		DFEDHN
N#CCC1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CC1	ZINC000584816440	398415396	/nfs/dbraw/zinc/41/53/96/398415396.db2.gz	HDGVFWYIBSAKGW-UHFFFAOYSA-N	0	3	318.465	2.588	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1	ZINC000585794426	398447880	/nfs/dbraw/zinc/44/78/80/398447880.db2.gz	UBGFLVAHBYBAEM-PBYMTVQHSA-N	0	3	324.428	2.558	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)c1cc(C#N)ccc1Cl	ZINC000586782882	398458607	/nfs/dbraw/zinc/45/86/07/398458607.db2.gz	MCDSUPSHTXPFIZ-CYBMUJFWSA-N	0	3	305.809	2.816	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@H](O)COCc1cccs1	ZINC000027207983	398460280	/nfs/dbraw/zinc/46/02/80/398460280.db2.gz	ZKMRUQWNWYWAFE-INIZCTEOSA-N	0	3	316.426	2.629	20	30		DFEDHN
COCC(C)(C)N1CCN(CC#Cc2cccc(Cl)c2)CC1	ZINC000425510268	334956196	/nfs/dbraw/zinc/95/61/96/334956196.db2.gz	UWPLXIIRJPUOQY-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
COc1cc(-c2ccccc2CN2CCN(C)CC2)ccc1C#N	ZINC000596639687	398468772	/nfs/dbraw/zinc/46/87/72/398468772.db2.gz	ROPUZYGPCGATGR-UHFFFAOYSA-N	0	3	321.424	2.981	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2cc(C#N)ccc2Cl)CCC1	ZINC000286769974	219157763	/nfs/dbraw/zinc/15/77/63/219157763.db2.gz	LJXHFFSXIDOQNG-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1	ZINC000068210877	398486305	/nfs/dbraw/zinc/48/63/05/398486305.db2.gz	HOXUZNVLTAIYNZ-ACIMENLPSA-N	0	3	317.433	2.517	20	30		DFEDHN
C=CCc1cc(CNCCOCC(F)F)cc(OC)c1O	ZINC000190900637	334961799	/nfs/dbraw/zinc/96/17/99/334961799.db2.gz	HILKOXVAINSEJN-UHFFFAOYSA-N	0	3	301.333	2.501	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1ccc(CCNC(C)=O)cc1	ZINC000090450814	398487063	/nfs/dbraw/zinc/48/70/63/398487063.db2.gz	HVDZVSBLRZEQDW-HNNXBMFYSA-N	0	3	304.434	2.609	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000596803976	398505125	/nfs/dbraw/zinc/50/51/25/398505125.db2.gz	YALPZESGNOGORR-CQSZACIVSA-N	0	3	300.406	2.861	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)c(F)c1	ZINC000305308619	398505977	/nfs/dbraw/zinc/50/59/77/398505977.db2.gz	LBBKDCCRYMUIEU-MRXNPFEDSA-N	0	3	314.360	2.569	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(C#N)c1	ZINC000181970048	199368819	/nfs/dbraw/zinc/36/88/19/199368819.db2.gz	FETSHRCAGZPEGQ-WMLDXEAASA-N	0	3	307.401	2.668	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1	ZINC000308183963	398513147	/nfs/dbraw/zinc/51/31/47/398513147.db2.gz	YSJPMFQZCYKNSI-YOEHRIQHSA-N	0	3	321.428	2.986	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CC[C@](C)(C#N)C1	ZINC000596855598	398513911	/nfs/dbraw/zinc/51/39/11/398513911.db2.gz	YTRGCDBQJRNFRI-QGZVFWFLSA-N	0	3	300.406	2.558	20	30		DFEDHN
CN(C)C[C@@H]1CN(C(=O)CCCCCC#N)c2ccccc2O1	ZINC000588944769	398519053	/nfs/dbraw/zinc/51/90/53/398519053.db2.gz	OEZIGANWBIZOAZ-OAHLLOKOSA-N	0	3	315.417	2.816	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNCc2ccc(Cl)cc2)cc1	ZINC000314604216	398520210	/nfs/dbraw/zinc/52/02/10/398520210.db2.gz	SYTWUJBTLZQVOO-INIZCTEOSA-N	0	3	316.788	2.741	20	30		DFEDHN
CCN(C(=O)Nc1scc(C)c1C#N)[C@@H]1CCN(CC)C1	ZINC000596906166	398526891	/nfs/dbraw/zinc/52/68/91/398526891.db2.gz	XUZWZRRTYCKFET-GFCCVEGCSA-N	0	3	306.435	2.876	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccccc2C)CCC1	ZINC000593039608	398528595	/nfs/dbraw/zinc/52/85/95/398528595.db2.gz	MYLKFNDLGGTEFX-OAHLLOKOSA-N	0	3	313.445	2.972	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c1	ZINC000596927364	398530417	/nfs/dbraw/zinc/53/04/17/398530417.db2.gz	ASZITRUQRMYGDE-OAHLLOKOSA-N	0	3	300.406	2.861	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000091506501	398535035	/nfs/dbraw/zinc/53/50/35/398535035.db2.gz	MWTVMLCCPNFQKO-QZTJIDSGSA-N	0	3	321.509	2.750	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC(C)CC1	ZINC000596969140	398536961	/nfs/dbraw/zinc/53/69/61/398536961.db2.gz	CKWFEFCQAPSTSL-GFCCVEGCSA-N	0	3	321.371	2.687	20	30		DFEDHN
C[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccccc21	ZINC000593090300	398542997	/nfs/dbraw/zinc/54/29/97/398542997.db2.gz	IAPINELDSSQNJL-IFXJQAMLSA-N	0	3	319.408	2.746	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000597006641	398546026	/nfs/dbraw/zinc/54/60/26/398546026.db2.gz	UPJYLCKYUCXPPG-KGLIPLIRSA-N	0	3	305.447	2.626	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(CC(N)=O)cc1	ZINC000589344829	398547633	/nfs/dbraw/zinc/54/76/33/398547633.db2.gz	MXNXQJJMXUIBGQ-LJQANCHMSA-N	0	3	319.408	2.753	20	30		DFEDHN
CN(Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1C#N	ZINC000320123068	398545460	/nfs/dbraw/zinc/54/54/60/398545460.db2.gz	FARVTGXUQSIKDJ-QGZVFWFLSA-N	0	3	314.360	2.569	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)c(C)c1	ZINC000320170821	398545596	/nfs/dbraw/zinc/54/55/96/398545596.db2.gz	MNDCTAKGKVXYEB-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000272605543	210004711	/nfs/dbraw/zinc/00/47/11/210004711.db2.gz	QFTDVLCBUXPLED-HUUCEWRRSA-N	0	3	317.433	2.645	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](Cn4ccnn4)C3)cc2)CC1	ZINC000597030149	398551518	/nfs/dbraw/zinc/55/15/18/398551518.db2.gz	PUSSENZLJYDSBE-KRWDZBQOSA-N	0	3	321.428	2.745	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCc3ccccc32)cc1	ZINC000322027029	398555582	/nfs/dbraw/zinc/55/55/82/398555582.db2.gz	WFLCZWXSGKYMHF-LPHOPBHVSA-N	0	3	308.381	2.575	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000589584294	398561738	/nfs/dbraw/zinc/56/17/38/398561738.db2.gz	OMZHTDZNWBEVDJ-HIFRSBDPSA-N	0	3	306.413	2.874	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN2CCC(C)(C#N)CC2)cn1	ZINC000597084206	398564016	/nfs/dbraw/zinc/56/40/16/398564016.db2.gz	LSPHZZRJANZOIZ-GOEBONIOSA-N	0	3	302.422	2.606	20	30		DFEDHN
Cn1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000597081426	398563242	/nfs/dbraw/zinc/56/32/42/398563242.db2.gz	HFZUCTMHMLYOLE-QZTJIDSGSA-N	0	3	322.412	2.616	20	30		DFEDHN
C=CCc1cc(CN[C@@H](CO)CC2CCC2)cc(OC)c1O	ZINC000279822658	215176293	/nfs/dbraw/zinc/17/62/93/215176293.db2.gz	PPGCIMBULLDSQL-MRXNPFEDSA-N	0	3	305.418	2.770	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])c(C)c2)nc(C)n1	ZINC000041574178	398569088	/nfs/dbraw/zinc/56/90/88/398569088.db2.gz	YJXAAQATOXKULF-CYBMUJFWSA-N	0	3	310.313	2.800	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1	ZINC000280639065	334968921	/nfs/dbraw/zinc/96/89/21/334968921.db2.gz	MXHIVLDNGUNJTO-RDJZCZTQSA-N	0	3	317.433	2.851	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597172423	398581730	/nfs/dbraw/zinc/58/17/30/398581730.db2.gz	FIBDBXLBOMIWNL-VXGBXAGGSA-N	0	3	321.371	2.829	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1C[C@@H](C)O	ZINC000279927736	215244987	/nfs/dbraw/zinc/24/49/87/215244987.db2.gz	WPDQFCJTXPRLBL-GDBMZVCRSA-N	0	3	318.417	2.571	20	30		DFEDHN
N#CC[C@@H]1CCCN(Cc2ccc(O[C@@H]3CCOC3)cc2)C1	ZINC000597177969	398583295	/nfs/dbraw/zinc/58/32/95/398583295.db2.gz	SSXRHKVVWCDRKN-MAUKXSAKSA-N	0	3	300.402	2.980	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597178655	398583461	/nfs/dbraw/zinc/58/34/61/398583461.db2.gz	MTOLNBCACOMIOQ-JKSUJKDBSA-N	0	3	319.355	2.535	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C[C@@H](C(=O)OC)C2)ccc1OC	ZINC000597217958	398594051	/nfs/dbraw/zinc/59/40/51/398594051.db2.gz	KJNASOJKRQKIBD-GASCZTMLSA-N	0	3	319.401	2.691	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1	ZINC000590133127	398599443	/nfs/dbraw/zinc/59/94/43/398599443.db2.gz	VRZTYTGFSJABIH-ZDUSSCGKSA-N	0	3	303.431	2.695	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CCc2ccccc21	ZINC000597238699	398601636	/nfs/dbraw/zinc/60/16/36/398601636.db2.gz	HYJKYZIQDONSCV-INIZCTEOSA-N	0	3	317.396	2.763	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC(=Cc2ccccc2)CC1	ZINC000092799684	398601164	/nfs/dbraw/zinc/60/11/64/398601164.db2.gz	LDSOLEJASPPHTA-UHFFFAOYSA-N	0	3	311.429	2.928	20	30		DFEDHN
COc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)ccc1C#N	ZINC000597248486	398606627	/nfs/dbraw/zinc/60/66/27/398606627.db2.gz	YBHXRRNMUUUGEO-KDURUIRLSA-N	0	3	312.413	2.959	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)o1	ZINC000590162056	398602266	/nfs/dbraw/zinc/60/22/66/398602266.db2.gz	DFLRRYAKSRLJAC-ARFHVFGLSA-N	0	3	316.449	2.996	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)o1	ZINC000590162057	398602386	/nfs/dbraw/zinc/60/23/86/398602386.db2.gz	DFLRRYAKSRLJAC-BZUAXINKSA-N	0	3	316.449	2.996	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCCC1	ZINC000593338413	398603498	/nfs/dbraw/zinc/60/34/98/398603498.db2.gz	XIEQEMWIUVFVNK-GJZGRUSLSA-N	0	3	306.454	2.632	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)c(OC)c1	ZINC000597243543	398604466	/nfs/dbraw/zinc/60/44/66/398604466.db2.gz	ZLDOPFHLHMLZHE-AEFFLSMTSA-N	0	3	316.401	2.778	20	30		DFEDHN
Cc1cc(NC(=O)[C@@H](C)CC#N)ccc1OCCN1CCCC1	ZINC000597265594	398610975	/nfs/dbraw/zinc/61/09/75/398610975.db2.gz	APKNGZHVDONEGH-AWEZNQCLSA-N	0	3	315.417	2.958	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590294627	398611418	/nfs/dbraw/zinc/61/14/18/398611418.db2.gz	JUYOBVKPLFUJSN-NVXWUHKLSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCc1cc(CN2CCC([C@H](C)O)CC2)cc(OC)c1O	ZINC000092969801	398610675	/nfs/dbraw/zinc/61/06/75/398610675.db2.gz	LLRXKNYJZFFKJS-ZDUSSCGKSA-N	0	3	305.418	2.722	20	30		DFEDHN
CCN(C(=O)CC1(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000590326719	398614628	/nfs/dbraw/zinc/61/46/28/398614628.db2.gz	GWMJLAMSSDAETP-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCc2ncccc2C1	ZINC000590406262	398619516	/nfs/dbraw/zinc/61/95/16/398619516.db2.gz	KUIHDZMCSGSJGP-MRXNPFEDSA-N	0	3	305.381	2.739	20	30		DFEDHN
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000093279891	398627207	/nfs/dbraw/zinc/62/72/07/398627207.db2.gz	JWWDCQIYBMSEQG-MRXNPFEDSA-N	0	3	300.402	2.969	20	30		DFEDHN
CCO[C@H]1COCC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000353126886	398638175	/nfs/dbraw/zinc/63/81/75/398638175.db2.gz	IKRXKQQLLJMGAO-MSOLQXFVSA-N	0	3	318.417	2.653	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000353126889	398638223	/nfs/dbraw/zinc/63/82/23/398638223.db2.gz	IKRXKQQLLJMGAO-ZWKOTPCHSA-N	0	3	318.417	2.653	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1OC	ZINC000093482759	398639990	/nfs/dbraw/zinc/63/99/90/398639990.db2.gz	AXUWXICFCNLRQE-HOCLYGCPSA-N	0	3	305.418	2.995	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000177909453	186202532	/nfs/dbraw/zinc/20/25/32/186202532.db2.gz	NXHCWESYKURTGM-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1	ZINC000593501793	398647690	/nfs/dbraw/zinc/64/76/90/398647690.db2.gz	AYZXNKHOTZGHGY-MFKMUULPSA-N	0	3	308.765	2.610	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)C(=O)NCC)cc1	ZINC000268752927	186378691	/nfs/dbraw/zinc/37/86/91/186378691.db2.gz	YKOULSCJGKBUPZ-CHWSQXEVSA-N	0	3	310.825	2.993	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C(=O)NCC)cc1	ZINC000268752932	186378992	/nfs/dbraw/zinc/37/89/92/186378992.db2.gz	YKOULSCJGKBUPZ-STQMWFEESA-N	0	3	310.825	2.993	20	30		DFEDHN
CS[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H]1N1CCCC1	ZINC000275903390	186459688	/nfs/dbraw/zinc/45/96/88/186459688.db2.gz	ZYRMPJQOMODRKQ-KGLIPLIRSA-N	0	3	322.865	2.623	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1cc(C#N)ccc1Cl	ZINC000284962366	186555762	/nfs/dbraw/zinc/55/57/62/186555762.db2.gz	AUOOGFXGBOAXMV-LBPRGKRZSA-N	0	3	305.809	2.816	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(F)cc2OC)CC1	ZINC000171737559	197976927	/nfs/dbraw/zinc/97/69/27/197976927.db2.gz	HDWVGSMSKQPYNT-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCCN(CCCO)C2)n1	ZINC000590708721	398656987	/nfs/dbraw/zinc/65/69/87/398656987.db2.gz	CSBGHWYFMOUMIH-OAHLLOKOSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2csc(CC)n2)CC1	ZINC000171907837	198006377	/nfs/dbraw/zinc/00/63/77/198006377.db2.gz	XLKARSCSBODDST-GFCCVEGCSA-N	0	3	322.478	2.716	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1	ZINC000171976365	198018908	/nfs/dbraw/zinc/01/89/08/198018908.db2.gz	NZAXJWHFZFTNIO-HOTGVXAUSA-N	0	3	320.383	2.835	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000172057971	198032080	/nfs/dbraw/zinc/03/20/80/198032080.db2.gz	YSGRZEMZPXJNKX-MRXNPFEDSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCCCN(CC)CC(=O)Nc1ccc2c(c1)OCCO2	ZINC000172173458	198052498	/nfs/dbraw/zinc/05/24/98/198052498.db2.gz	LVTUJQNXHQQGFC-UHFFFAOYSA-N	0	3	304.390	2.684	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1	ZINC000172290206	198071539	/nfs/dbraw/zinc/07/15/39/198071539.db2.gz	IGPDEEZBAUCIPI-ZIAGYGMSSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000597603525	398667743	/nfs/dbraw/zinc/66/77/43/398667743.db2.gz	DCSQMKFWGKZZQR-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]1c1cccnc1	ZINC000597612049	398669324	/nfs/dbraw/zinc/66/93/24/398669324.db2.gz	WILHZUBVIMQGGH-JQHSSLGASA-N	0	3	305.381	2.826	20	30		DFEDHN
N#Cc1ccc(CNCCc2ccc3c(c2)OC(F)(F)O3)o1	ZINC000593691343	398671217	/nfs/dbraw/zinc/67/12/17/398671217.db2.gz	CBLWBDPWZARBEA-UHFFFAOYSA-N	0	3	306.268	2.805	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(C#N)cc1F)CO2	ZINC000590777858	398672788	/nfs/dbraw/zinc/67/27/88/398672788.db2.gz	BJDYTIBELKYRFW-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C[C@H](CCO)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000593694485	398672468	/nfs/dbraw/zinc/67/24/68/398672468.db2.gz	NIDOTMRDCWFRGT-OAHLLOKOSA-N	0	3	312.417	2.666	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1	ZINC000597658743	398675718	/nfs/dbraw/zinc/67/57/18/398675718.db2.gz	WMTQUFCZPWUKDN-PBHICJAKSA-N	0	3	317.433	2.742	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc3ccc(C)nc32)CC1	ZINC000172843783	198156973	/nfs/dbraw/zinc/15/69/73/198156973.db2.gz	VZUAUWRCLPTUQB-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1(C#N)CCC1	ZINC000398176243	398682324	/nfs/dbraw/zinc/68/23/24/398682324.db2.gz	QMQKBHLFACZVRC-WBVHZDCISA-N	0	3	311.429	2.707	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1	ZINC000597706601	398683587	/nfs/dbraw/zinc/68/35/87/398683587.db2.gz	XQHCUFAJUFKGRL-WFASDCNBSA-N	0	3	305.447	2.677	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000593816734	398692702	/nfs/dbraw/zinc/69/27/02/398692702.db2.gz	PYBGUACIRSPGFL-BRWVUGGUSA-N	0	3	300.402	2.833	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)c1cccc(C#N)c1	ZINC000073665080	398692778	/nfs/dbraw/zinc/69/27/78/398692778.db2.gz	NFTDLQNXZOUQAT-LSDHHAIUSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(OC)nc1)C(C)C	ZINC000046049055	398692808	/nfs/dbraw/zinc/69/28/08/398692808.db2.gz	YEEYVCOEKOWQKU-INIZCTEOSA-N	0	3	317.433	2.519	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(C#N)cc1	ZINC000182068774	199382053	/nfs/dbraw/zinc/38/20/53/199382053.db2.gz	ZMJFFWZSDIYYKG-INIZCTEOSA-N	0	3	321.424	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cnc(C3CC3)nc2)CC1	ZINC000106325816	398696094	/nfs/dbraw/zinc/69/60/94/398696094.db2.gz	AKXWDJBRESTWJH-UHFFFAOYSA-N	0	3	315.421	2.516	20	30		DFEDHN
Cc1noc(C)c1CN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046086183	398695208	/nfs/dbraw/zinc/69/52/08/398695208.db2.gz	SFQPZAGEMLEKJK-UHFFFAOYSA-N	0	3	310.401	2.875	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000590888934	398696403	/nfs/dbraw/zinc/69/64/03/398696403.db2.gz	CLJTUWAMAZCPGG-UHFFFAOYSA-N	0	3	324.428	2.769	20	30		DFEDHN
C#CCCCC(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000277125018	213309332	/nfs/dbraw/zinc/30/93/32/213309332.db2.gz	STWZBSQLBZRDHE-UHFFFAOYSA-N	0	3	300.446	2.813	20	30		DFEDHN
CC(C)[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CCCCC1	ZINC000593890291	398701098	/nfs/dbraw/zinc/70/10/98/398701098.db2.gz	CXHMLZLTGRHTSU-SFHVURJKSA-N	0	3	311.429	2.911	20	30		DFEDHN
Cc1c(CN(C)C(=O)[C@]2(C#N)CCNC2)oc2c1cccc2C	ZINC000593916695	398703192	/nfs/dbraw/zinc/70/31/92/398703192.db2.gz	PEKGZOMHARAEDH-SFHVURJKSA-N	0	3	311.385	2.511	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc([C@@H](N)CCCCC#N)n2)cc1	ZINC000593943348	398706148	/nfs/dbraw/zinc/70/61/48/398706148.db2.gz	MJZCVORAOLBTHL-HNNXBMFYSA-N	0	3	313.405	2.882	20	30		DFEDHN
C#CCOc1ccccc1CNCC1(SC)CCOCC1	ZINC000174562930	198352376	/nfs/dbraw/zinc/35/23/76/198352376.db2.gz	CCPDQEWUDJNXJW-UHFFFAOYSA-N	0	3	305.443	2.700	20	30		DFEDHN
CC[C@@H](N[C@@H](C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000591024249	398716504	/nfs/dbraw/zinc/71/65/04/398716504.db2.gz	HQOOSDNMGWYKLQ-DZGCQCFKSA-N	0	3	303.406	2.544	20	30		DFEDHN
Cc1cnc(OC2CCN(Cc3ccc(CC#N)cc3)CC2)nc1	ZINC000594020448	398724355	/nfs/dbraw/zinc/72/43/55/398724355.db2.gz	IRBJUFIGKWDKJS-UHFFFAOYSA-N	0	3	322.412	2.895	20	30		DFEDHN
CC(C)(C)OC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594032436	398726300	/nfs/dbraw/zinc/72/63/00/398726300.db2.gz	IGSUQTUMLSOJOO-MRXNPFEDSA-N	0	3	302.418	2.703	20	30		DFEDHN
N#Cc1ccc(C2(NC[C@H](O)COc3ccccc3)CCC2)cc1	ZINC000594031235	398726872	/nfs/dbraw/zinc/72/68/72/398726872.db2.gz	YYNBMBHPIBYHAY-SFHVURJKSA-N	0	3	322.408	2.967	20	30		DFEDHN
C=CCCSCCNC(=O)CCN1CCc2ccccc2C1	ZINC000597967444	398728401	/nfs/dbraw/zinc/72/84/01/398728401.db2.gz	XJHOMCPGKDKUGI-UHFFFAOYSA-N	0	3	318.486	2.860	20	30		DFEDHN
CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCCO1	ZINC000594039674	398728252	/nfs/dbraw/zinc/72/82/52/398728252.db2.gz	BNRQYUXMIUOFHV-ZBFHGGJFSA-N	0	3	303.362	2.904	20	30		DFEDHN
Cc1cc(N[C@H]2CCN(CC3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000591146300	398731584	/nfs/dbraw/zinc/73/15/84/398731584.db2.gz	ZTBHOEWCBXPBSI-AWEZNQCLSA-N	0	3	300.362	2.671	20	30		DFEDHN
CC(C#N)C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000598016260	398737848	/nfs/dbraw/zinc/73/78/48/398737848.db2.gz	JSIBXTSCWUZUOK-MLGOLLRUSA-N	0	3	306.793	2.708	20	30		DFEDHN
N#Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1F	ZINC000594070380	398737408	/nfs/dbraw/zinc/73/74/08/398737408.db2.gz	YZLCXHGZRWPVMP-HZPDHXFCSA-N	0	3	316.380	2.836	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cscn1	ZINC000598015010	398737722	/nfs/dbraw/zinc/73/77/22/398737722.db2.gz	QAYDVEAJKGXVKH-FZMZJTMJSA-N	0	3	310.382	2.574	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1	ZINC000047260220	398742356	/nfs/dbraw/zinc/74/23/56/398742356.db2.gz	IKPZTLQCAPCVLT-QGZVFWFLSA-N	0	3	320.396	2.804	20	30		DFEDHN
CC(C)c1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000591241638	398741655	/nfs/dbraw/zinc/74/16/55/398741655.db2.gz	SBISUYUYXKOCIY-CRAIPNDOSA-N	0	3	303.450	2.667	20	30		DFEDHN
CC(C)c1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000591241639	398741682	/nfs/dbraw/zinc/74/16/82/398741682.db2.gz	SBISUYUYXKOCIY-MAUKXSAKSA-N	0	3	303.450	2.667	20	30		DFEDHN
CC(C)c1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000591241641	398741825	/nfs/dbraw/zinc/74/18/25/398741825.db2.gz	SBISUYUYXKOCIY-YJBOKZPZSA-N	0	3	303.450	2.667	20	30		DFEDHN
N#C[C@H]1CCCC[C@H]1NC(=O)CCN1CCc2ccccc2C1	ZINC000598086885	398750869	/nfs/dbraw/zinc/75/08/69/398750869.db2.gz	VMFILBZNYOIGDR-SJLPKXTDSA-N	0	3	311.429	2.633	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)cc1	ZINC000594154963	398755636	/nfs/dbraw/zinc/75/56/36/398755636.db2.gz	OMJIXDGANUGCEF-UHFFFAOYSA-N	0	3	305.381	2.776	20	30		DFEDHN
CC(C)(CNC(=O)NCc1cccc(C#N)c1)N1CCCCC1	ZINC000047910165	398763575	/nfs/dbraw/zinc/76/35/75/398763575.db2.gz	RHPXRQKVIIVUTN-UHFFFAOYSA-N	0	3	314.433	2.622	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000594202820	398764789	/nfs/dbraw/zinc/76/47/89/398764789.db2.gz	SIEICXOZBJSEJC-ROUUACIJSA-N	0	3	311.429	2.624	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@H](CNCc1ccc(C#N)cc1)C1CC1	ZINC000133687013	283158720	/nfs/dbraw/zinc/15/87/20/283158720.db2.gz	ZPLQAWXHPOJDNO-MRXNPFEDSA-N	0	3	315.417	2.951	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000373956100	283157047	/nfs/dbraw/zinc/15/70/47/283157047.db2.gz	ZWBJDPXBZOQXAL-OAHLLOKOSA-N	0	3	314.389	2.921	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000598193989	398766765	/nfs/dbraw/zinc/76/67/65/398766765.db2.gz	CTXFFTUVGCNONS-HKUYNNGSSA-N	0	3	313.445	2.702	20	30		DFEDHN
N#Cc1ccc(OCCN2CCc3ccccc3[C@@H]2CO)cc1	ZINC000133886756	283165511	/nfs/dbraw/zinc/16/55/11/283165511.db2.gz	RGTANPMGUOKKAF-IBGZPJMESA-N	0	3	308.381	2.529	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1	ZINC000598228283	398774978	/nfs/dbraw/zinc/77/49/78/398774978.db2.gz	GKCBCYQKVNCMAJ-MFKMUULPSA-N	0	3	323.190	2.509	20	30		DFEDHN
C[C@@H](NC(=O)[C@@]1(C#N)CCNC1)c1ccc(Cl)c(Cl)c1	ZINC000591592017	398774791	/nfs/dbraw/zinc/77/47/91/398774791.db2.gz	KTWNSJLWWKOWTK-YMTOWFKASA-N	0	3	312.200	2.674	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@]1(C#N)CCNC1)CCC2	ZINC000591638498	398777851	/nfs/dbraw/zinc/77/78/51/398777851.db2.gz	YCEWSEWINCTGPW-IEBWSBKVSA-N	0	3	311.429	2.807	20	30		DFEDHN
N#C[C@@]1(C(=O)NCCc2ccc(-c3ccccc3)cc2)CCNC1	ZINC000591626877	398777914	/nfs/dbraw/zinc/77/79/14/398777914.db2.gz	HDJRJGYIUMJYOD-FQEVSTJZSA-N	0	3	319.408	2.516	20	30		DFEDHN
N#CCSCCCN1Cc2ccccc2[C@@H](n2cccn2)C1	ZINC000074991132	398779508	/nfs/dbraw/zinc/77/95/08/398779508.db2.gz	XJMVFBXOQUMRAG-KRWDZBQOSA-N	0	3	312.442	2.935	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)COc2ccc3ccccc3c2)CC1	ZINC000591764333	398785433	/nfs/dbraw/zinc/78/54/33/398785433.db2.gz	FAKORDHTAQWEHC-QGZVFWFLSA-N	0	3	310.397	2.863	20	30		DFEDHN
COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594424903	398797616	/nfs/dbraw/zinc/79/76/16/398797616.db2.gz	DMFGZOYNNZHDSF-ZFWWWQNUSA-N	0	3	303.406	2.592	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCCCC2	ZINC000594427024	398798886	/nfs/dbraw/zinc/79/88/86/398798886.db2.gz	FYVNNPIFWWASCY-LLVKDONJSA-N	0	3	306.435	2.762	20	30		DFEDHN
CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OCC	ZINC000594428357	398798912	/nfs/dbraw/zinc/79/89/12/398798912.db2.gz	YIWFPUXIAKSJHV-AWEZNQCLSA-N	0	3	319.405	2.834	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1	ZINC000594427013	398798951	/nfs/dbraw/zinc/79/89/51/398798951.db2.gz	FWOKZWOJDUBGBX-HOTGVXAUSA-N	0	3	303.381	2.900	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCCCSc1ccc(F)cc1	ZINC000594428604	398798953	/nfs/dbraw/zinc/79/89/53/398798953.db2.gz	ZVTOECNAMZAPPO-HNNXBMFYSA-N	0	3	323.437	2.835	20	30		DFEDHN
COc1ccc([C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594429550	398799662	/nfs/dbraw/zinc/79/96/62/398799662.db2.gz	RGXZRRSCWUTJTR-XJKSGUPXSA-N	0	3	303.406	2.626	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(F)c1	ZINC000594430997	398799803	/nfs/dbraw/zinc/79/98/03/398799803.db2.gz	FLNBDTVALSEHOX-AWEZNQCLSA-N	0	3	307.369	2.963	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1	ZINC000594432767	398800607	/nfs/dbraw/zinc/80/06/07/398800607.db2.gz	BQMSDXZXLDBZCO-HNNXBMFYSA-N	0	3	317.458	2.839	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl	ZINC000594432030	398800663	/nfs/dbraw/zinc/80/06/63/398800663.db2.gz	VRAIXTDWZWBZSH-CABCVRRESA-N	0	3	305.809	2.855	20	30		DFEDHN
Cc1cccc2[nH]cc(CCNC(=O)[C@H](N)CCCCC#N)c21	ZINC000594433130	398800737	/nfs/dbraw/zinc/80/07/37/398800737.db2.gz	CDCGXOVFQPNSQO-OAHLLOKOSA-N	0	3	312.417	2.546	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc(F)ccc1F	ZINC000594433177	398800477	/nfs/dbraw/zinc/80/04/77/398800477.db2.gz	MBIUUUARCRQNDQ-CABCVRRESA-N	0	3	309.360	2.943	20	30		DFEDHN
Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594435635	398801116	/nfs/dbraw/zinc/80/11/16/398801116.db2.gz	DUFZKVJAOIJAEC-MSOLQXFVSA-N	0	3	313.445	2.940	20	30		DFEDHN
Cc1csc(C2(NC(=O)[C@@H](N)CCCCC#N)CCCC2)n1	ZINC000594435840	398801416	/nfs/dbraw/zinc/80/14/16/398801416.db2.gz	AJESGMWVYYQYHC-ZDUSSCGKSA-N	0	3	320.462	2.748	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)c1cccnc1	ZINC000594438597	398802075	/nfs/dbraw/zinc/80/20/75/398802075.db2.gz	OSOYXSWGSCJKLI-MSOLQXFVSA-N	0	3	322.412	2.698	20	30		DFEDHN
Cc1cccnc1[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C	ZINC000594438967	398802491	/nfs/dbraw/zinc/80/24/91/398802491.db2.gz	ROTASRZQFNVEBH-HUUCEWRRSA-N	0	3	302.422	2.615	20	30		DFEDHN
CCC[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCCC#N	ZINC000594437494	398802619	/nfs/dbraw/zinc/80/26/19/398802619.db2.gz	LVFUKZIAUMTVDJ-DLBZAZTESA-N	0	3	301.434	2.925	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2[nH]1	ZINC000594438614	398802652	/nfs/dbraw/zinc/80/26/52/398802652.db2.gz	OVIYMVSABDIPFN-OLZOCXBDSA-N	0	3	313.405	2.541	20	30		DFEDHN
CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F	ZINC000594442443	398802971	/nfs/dbraw/zinc/80/29/71/398802971.db2.gz	GIMPFIMAIQUFIK-GHMZBOCLSA-N	0	3	307.360	2.881	20	30		DFEDHN
COC(=O)CCN(Cc1cn2ccccc2c1C#N)CC(C)C	ZINC000050032155	398803025	/nfs/dbraw/zinc/80/30/25/398803025.db2.gz	AEXXQUWJAOLPRF-UHFFFAOYSA-N	0	3	313.401	2.832	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCOc2cc(F)ccc21	ZINC000594441991	398803404	/nfs/dbraw/zinc/80/34/04/398803404.db2.gz	AZAMOXWNDDNJRI-CABCVRRESA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1C2CC3CC(C2)CC1C3	ZINC000594443251	398803955	/nfs/dbraw/zinc/80/39/55/398803955.db2.gz	BMWQNCIGMYKYBI-GPHONZHMSA-N	0	3	303.450	2.586	20	30		DFEDHN
COc1cc(SC)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594443484	398803982	/nfs/dbraw/zinc/80/39/82/398803982.db2.gz	PJEYUAJWAWBEPX-GFCCVEGCSA-N	0	3	307.419	2.767	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1C2CC3CC(C2)CC1C3	ZINC000594443252	398804094	/nfs/dbraw/zinc/80/40/94/398804094.db2.gz	BMWQNCIGMYKYBI-QXGXVAPBSA-N	0	3	303.450	2.586	20	30		DFEDHN
C[C@@H]1c2c(F)cccc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594444009	398803745	/nfs/dbraw/zinc/80/37/45/398803745.db2.gz	JBTNQVTUPJYCHR-IUODEOHRSA-N	0	3	303.381	2.683	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(C)c1	ZINC000594446381	398804955	/nfs/dbraw/zinc/80/49/55/398804955.db2.gz	RZJKSFJJEWDCKJ-RDJZCZTQSA-N	0	3	317.433	2.680	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@H](c2ncccc2C)C1	ZINC000281774852	334985270	/nfs/dbraw/zinc/98/52/70/334985270.db2.gz	WZAJJTSBXUCEPK-HOTGVXAUSA-N	0	3	322.474	2.607	20	30		DFEDHN
C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)[C@@H](N)c1ccccc1	ZINC000594453573	398805759	/nfs/dbraw/zinc/80/57/59/398805759.db2.gz	ZBPULGRJBAAVSQ-SCLBCKFNSA-N	0	3	305.381	2.737	20	30		DFEDHN
CC(C)Oc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594456536	398806366	/nfs/dbraw/zinc/80/63/66/398806366.db2.gz	PYFNOQPXFMUFAU-INIZCTEOSA-N	0	3	303.406	2.848	20	30		DFEDHN
CC(C)CCOc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1F	ZINC000594458638	398806407	/nfs/dbraw/zinc/80/64/07/398806407.db2.gz	PDRYGLAVAMJAOA-KRWDZBQOSA-N	0	3	319.380	2.692	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCNC(=O)c2ccco2)cc1	ZINC000594493042	398809015	/nfs/dbraw/zinc/80/90/15/398809015.db2.gz	DUMDLYJGOWVAET-UHFFFAOYSA-N	0	3	311.385	2.600	20	30		DFEDHN
CCC[C@H](C(=O)NCCSCc1ccccc1C#N)N(C)C	ZINC000179264624	199007034	/nfs/dbraw/zinc/00/70/34/199007034.db2.gz	UZNJJNONOYBEIG-MRXNPFEDSA-N	0	3	319.474	2.638	20	30		DFEDHN
C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594497101	398810414	/nfs/dbraw/zinc/81/04/14/398810414.db2.gz	BFTLJECEBLNFKY-WMLDXEAASA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)(C)N1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594515397	398813704	/nfs/dbraw/zinc/81/37/04/398813704.db2.gz	UTLJHQARVKAJGG-MRXNPFEDSA-N	0	3	313.445	2.977	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccc(C)cc2)C1	ZINC000051063938	398817103	/nfs/dbraw/zinc/81/71/03/398817103.db2.gz	NYMVQZGXUVKHRY-FUHWJXTLSA-N	0	3	300.446	2.940	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2	ZINC000051588861	398824881	/nfs/dbraw/zinc/82/48/81/398824881.db2.gz	VJHLEDZRGOXFPB-UHFFFAOYSA-N	0	3	310.353	2.798	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594597968	398827366	/nfs/dbraw/zinc/82/73/66/398827366.db2.gz	FOVYSWUVBOEAJB-NVXWUHKLSA-N	0	3	307.401	2.930	20	30		DFEDHN
CCc1nnc(N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)c1CC	ZINC000594602392	398828851	/nfs/dbraw/zinc/82/88/51/398828851.db2.gz	QLBJXEFOOBUPCV-SJORKVTESA-N	0	3	313.449	2.902	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCSC1	ZINC000179928309	199095558	/nfs/dbraw/zinc/09/55/58/199095558.db2.gz	SLHARRJDFBXITR-MRXNPFEDSA-N	0	3	312.442	2.896	20	30		DFEDHN
COc1ccccc1CN(C[C@@H](O)CC(C)(C)C#N)C1CC1	ZINC000598585278	398835989	/nfs/dbraw/zinc/83/59/89/398835989.db2.gz	BPHHYADBGLIXSK-INIZCTEOSA-N	0	3	302.418	2.960	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC(C)(C)C#N	ZINC000598585620	398836222	/nfs/dbraw/zinc/83/62/22/398836222.db2.gz	HETYEEDTNSIZQG-INIZCTEOSA-N	0	3	302.418	2.984	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1	ZINC000598592573	398837770	/nfs/dbraw/zinc/83/77/70/398837770.db2.gz	JHNYZPNCLXUUIQ-LSDHHAIUSA-N	0	3	324.465	2.731	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1	ZINC000598601348	398839091	/nfs/dbraw/zinc/83/90/91/398839091.db2.gz	JKAJMWFCZWZKIG-HUUCEWRRSA-N	0	3	305.378	2.936	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCCC1	ZINC000594688487	398842821	/nfs/dbraw/zinc/84/28/21/398842821.db2.gz	WDNIJCMRWUCNFQ-OAHLLOKOSA-N	0	3	306.454	2.634	20	30		DFEDHN
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598623557	398842870	/nfs/dbraw/zinc/84/28/70/398842870.db2.gz	XYUXEEFEJGEAOI-KFWWJZLASA-N	0	3	324.465	2.587	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000594715959	398848041	/nfs/dbraw/zinc/84/80/41/398848041.db2.gz	FEYDFHFGCDMTJL-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598726543	398862825	/nfs/dbraw/zinc/86/28/25/398862825.db2.gz	TUCQARSNNZMRLG-SOUVJXGZSA-N	0	3	307.438	2.599	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC[C@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598726544	398862898	/nfs/dbraw/zinc/86/28/98/398862898.db2.gz	TUCQARSNNZMRLG-ZNMIVQPWSA-N	0	3	307.438	2.599	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000598730465	398864089	/nfs/dbraw/zinc/86/40/89/398864089.db2.gz	VZVVBFGUWOVMRS-JKSUJKDBSA-N	0	3	324.428	2.750	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cccc(OCC(F)F)c1	ZINC000598718383	398860561	/nfs/dbraw/zinc/86/05/61/398860561.db2.gz	AQITWSVQTBEICY-ZDUSSCGKSA-N	0	3	312.360	2.721	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)[C@H]1CCCO1	ZINC000598720471	398861031	/nfs/dbraw/zinc/86/10/31/398861031.db2.gz	NKLWAPWQOIZBCK-GVDBMIGSSA-N	0	3	302.418	2.797	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](c1ccc(F)cc1)C(C)C	ZINC000076713517	398867264	/nfs/dbraw/zinc/86/72/64/398867264.db2.gz	JQOTYCWNUQQPEB-KRWDZBQOSA-N	0	3	305.397	2.875	20	30		DFEDHN
N#CC1(c2ccc(CNC[C@H](O)COc3ccccc3)cc2)CC1	ZINC000594914861	398869727	/nfs/dbraw/zinc/86/97/27/398869727.db2.gz	MQQCMYCHPRYDEK-SFHVURJKSA-N	0	3	322.408	2.771	20	30		DFEDHN
N#CC1(c2ccc(CNCCC(=O)Nc3ccccn3)cc2)CC1	ZINC000594918873	398871087	/nfs/dbraw/zinc/87/10/87/398871087.db2.gz	UJHNHQOUNQAPMJ-UHFFFAOYSA-N	0	3	320.396	2.755	20	30		DFEDHN
Cn1ncc(C2CCC2)c1CNCCOc1ccc(C#N)cc1	ZINC000594929653	398874663	/nfs/dbraw/zinc/87/46/63/398874663.db2.gz	LZWQKYZILSPNCH-UHFFFAOYSA-N	0	3	310.401	2.728	20	30		DFEDHN
COC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCO1	ZINC000594939167	398876994	/nfs/dbraw/zinc/87/69/94/398876994.db2.gz	QJDWTGJNFHFIEZ-IAGOWNOFSA-N	0	3	300.402	2.525	20	30		DFEDHN
N#CC1(c2ccc(CN[C@H]3CCCC(F)(F)[C@@H]3O)cc2)CC1	ZINC000594946799	398878880	/nfs/dbraw/zinc/87/88/80/398878880.db2.gz	RZZVVFONMXDVSL-LSDHHAIUSA-N	0	3	306.356	2.880	20	30		DFEDHN
CO[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1	ZINC000594949644	398879759	/nfs/dbraw/zinc/87/97/59/398879759.db2.gz	GAUIQAOCVRVLKY-RDJZCZTQSA-N	0	3	302.418	2.629	20	30		DFEDHN
CO[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1	ZINC000594949642	398879791	/nfs/dbraw/zinc/87/97/91/398879791.db2.gz	GAUIQAOCVRVLKY-DOTOQJQBSA-N	0	3	302.418	2.629	20	30		DFEDHN
CO[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1	ZINC000594949643	398879809	/nfs/dbraw/zinc/87/98/09/398879809.db2.gz	GAUIQAOCVRVLKY-NVXWUHKLSA-N	0	3	302.418	2.629	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCN1C	ZINC000139748427	398886372	/nfs/dbraw/zinc/88/63/72/398886372.db2.gz	HDQZQUPLVVHIII-OAHLLOKOSA-N	0	3	305.397	2.618	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC	ZINC000595043538	398897500	/nfs/dbraw/zinc/89/75/00/398897500.db2.gz	GYJZJLSOFADELX-HUBLWGQQSA-N	0	3	306.362	2.845	20	30		DFEDHN
C[C@H](NCCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1F	ZINC000595060733	398899817	/nfs/dbraw/zinc/89/98/17/398899817.db2.gz	OPFDJCWGVHPYRW-LBPRGKRZSA-N	0	3	324.421	2.563	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000142922493	398900220	/nfs/dbraw/zinc/90/02/20/398900220.db2.gz	OBJCUXFQFXIKAJ-CQSZACIVSA-N	0	3	308.447	2.594	20	30		DFEDHN
CC(=O)NCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1	ZINC000595062913	398900648	/nfs/dbraw/zinc/90/06/48/398900648.db2.gz	XVXDJVRYIUTOPZ-HXUWFJFHSA-N	0	3	319.408	2.971	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1C#N	ZINC000599002251	398906445	/nfs/dbraw/zinc/90/64/45/398906445.db2.gz	DBLGPUGKFLALES-AEFFLSMTSA-N	0	3	309.369	2.587	20	30		DFEDHN
Cc1nc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000187198185	200076213	/nfs/dbraw/zinc/07/62/13/200076213.db2.gz	AGDLVXMGWGNJPC-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1cc(-c2ccccc2)n(C)n1	ZINC000599029095	398909893	/nfs/dbraw/zinc/90/98/93/398909893.db2.gz	YYXWPABTMUISMF-OAHLLOKOSA-N	0	3	323.444	2.726	20	30		DFEDHN
CCCN(Cc1ccccc1F)C(=O)[C@@H](N)CCCCC#N	ZINC000595257690	398913633	/nfs/dbraw/zinc/91/36/33/398913633.db2.gz	OGDYPAJRSIVTRT-INIZCTEOSA-N	0	3	305.397	2.976	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CN2CCOCC2)C1	ZINC000187674620	200143208	/nfs/dbraw/zinc/14/32/08/200143208.db2.gz	IOGFRFCLFBDZLU-SJLPKXTDSA-N	0	3	313.445	2.663	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000595256027	398913259	/nfs/dbraw/zinc/91/32/59/398913259.db2.gz	JQZSAIWDRNDRPI-LBPRGKRZSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1	ZINC000595259136	398913279	/nfs/dbraw/zinc/91/32/79/398913279.db2.gz	HXMDRXIMKWACSG-ZIAGYGMSSA-N	0	3	323.343	2.823	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)[C@@H]1CCOC1	ZINC000595297134	398918704	/nfs/dbraw/zinc/91/87/04/398918704.db2.gz	PRRWMUIYQLRXGG-MSOLQXFVSA-N	0	3	300.402	2.598	20	30		DFEDHN
CC[C@@H](N[C@@H]1CCO[C@@H]1c1nc(C)no1)c1ccc(C#N)cc1	ZINC000599093171	398920343	/nfs/dbraw/zinc/92/03/43/398920343.db2.gz	PQJGJPNGNMWNJU-OAGGEKHMSA-N	0	3	312.373	2.821	20	30		DFEDHN
CC[C@H](N[C@@H]1CCO[C@@H]1c1nc(C)no1)c1ccc(C#N)cc1	ZINC000599093172	398920037	/nfs/dbraw/zinc/92/00/37/398920037.db2.gz	PQJGJPNGNMWNJU-XHSDSOJGSA-N	0	3	312.373	2.821	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1	ZINC000599144514	398928413	/nfs/dbraw/zinc/92/84/13/398928413.db2.gz	VYKDKJGZVXVUFT-NVXWUHKLSA-N	0	3	318.465	2.729	20	30		DFEDHN
COc1ccc(CN[C@@H](CO)Cc2cccc(C)c2)cc1C#N	ZINC000189028130	200338142	/nfs/dbraw/zinc/33/81/42/200338142.db2.gz	OEOJTJYHYVAKSH-GOSISDBHSA-N	0	3	310.397	2.569	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1	ZINC000599149721	398929432	/nfs/dbraw/zinc/92/94/32/398929432.db2.gz	UXKUQQNMBAJYGC-SJLPKXTDSA-N	0	3	318.465	2.729	20	30		DFEDHN
C#CCSCCNCc1cnn(Cc2ccc(F)cc2)c1	ZINC000189234014	200368355	/nfs/dbraw/zinc/36/83/55/200368355.db2.gz	BBZMXLIQIQBHLU-UHFFFAOYSA-N	0	3	303.406	2.527	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](c2ccc(OC)cc2)C(C)C)C1=O	ZINC000282101560	334989419	/nfs/dbraw/zinc/98/94/19/334989419.db2.gz	WCYLPSGDNYKHBU-IRXDYDNUSA-N	0	3	302.418	2.769	20	30		DFEDHN
CO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)[C@H]1CCOC1	ZINC000595406214	398933312	/nfs/dbraw/zinc/93/33/12/398933312.db2.gz	AXASHRKXGBVCDL-OALUTQOASA-N	0	3	312.413	2.699	20	30		DFEDHN
CN(C)C(=O)C[C@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416068	398934395	/nfs/dbraw/zinc/93/43/95/398934395.db2.gz	UJNDRPNKKLTWRD-IBGZPJMESA-N	0	3	321.424	2.910	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCc1ccc(C#N)cc1)c1ccccn1	ZINC000595446777	398940488	/nfs/dbraw/zinc/94/04/88/398940488.db2.gz	DXWLVFVLPIZASB-LJQANCHMSA-N	0	3	323.396	2.564	20	30		DFEDHN
CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)CC1(C#N)CC1	ZINC000599253000	398943193	/nfs/dbraw/zinc/94/31/93/398943193.db2.gz	YVFFIXYPMIPOQS-CYBMUJFWSA-N	0	3	310.344	2.775	20	30		DFEDHN
COc1ccc(CN(C[C@@H](O)CC2(C#N)CC2)C2CC2)cc1	ZINC000599253083	398943276	/nfs/dbraw/zinc/94/32/76/398943276.db2.gz	DCGACEBEMCXSMG-INIZCTEOSA-N	0	3	300.402	2.714	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccsc2)CCOCC1	ZINC000599266141	398944926	/nfs/dbraw/zinc/94/49/26/398944926.db2.gz	ZOHRWLKTNOKHCK-HOTGVXAUSA-N	0	3	320.458	2.956	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000595479064	398946874	/nfs/dbraw/zinc/94/68/74/398946874.db2.gz	JSQXQQGDUXMASW-IPMKNSEASA-N	0	3	314.429	2.617	20	30		DFEDHN
COc1c(C)cc(CN(C)C[C@H](O)CC2(C#N)CC2)cc1C	ZINC000599280195	398947114	/nfs/dbraw/zinc/94/71/14/398947114.db2.gz	YPAHSTBTDVOOII-MRXNPFEDSA-N	0	3	302.418	2.799	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)COc2ccccc2C#N)s1	ZINC000599280109	398947473	/nfs/dbraw/zinc/94/74/73/398947473.db2.gz	CCULQKBSLBSRHC-OAHLLOKOSA-N	0	3	316.426	2.800	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCc1ccc(C#N)cc1)c1ccncc1	ZINC000595484884	398947773	/nfs/dbraw/zinc/94/77/73/398947773.db2.gz	SSGKMTNCXGQTDR-LJQANCHMSA-N	0	3	323.396	2.564	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@H](n3cc(Cl)cn3)C2)cc1	ZINC000595489781	398949039	/nfs/dbraw/zinc/94/90/39/398949039.db2.gz	IKXJKYFBMLSRHB-INIZCTEOSA-N	0	3	300.793	2.898	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C#N)C2)N(C)C)cc1	ZINC000595495828	398949582	/nfs/dbraw/zinc/94/95/82/398949582.db2.gz	TZZBMZYIZADLSV-WMZOPIPTSA-N	0	3	314.433	2.543	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)NCC1(C#N)CCCCC1	ZINC000595498987	398950509	/nfs/dbraw/zinc/95/05/09/398950509.db2.gz	JOXAOZDWGIIDCV-HNNXBMFYSA-N	0	3	306.454	2.634	20	30		DFEDHN
CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(C)c(C#N)c1)CC2	ZINC000599300307	398950831	/nfs/dbraw/zinc/95/08/31/398950831.db2.gz	WJEHJLNGMOXESY-ROUUACIJSA-N	0	3	314.429	2.619	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC3(CC2)OCc2ccccc23)CC1	ZINC000599310731	398952862	/nfs/dbraw/zinc/95/28/62/398952862.db2.gz	BDQIOLBLXIREKB-MRXNPFEDSA-N	0	3	312.413	2.563	20	30		DFEDHN
Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)CC1(C#N)CC1)CCC2	ZINC000599327399	398954212	/nfs/dbraw/zinc/95/42/12/398954212.db2.gz	GUCTZAAANRFBLV-JSGCOSHPSA-N	0	3	305.447	2.816	20	30		DFEDHN
Cc1ncc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)o1	ZINC000600141312	398966965	/nfs/dbraw/zinc/96/69/65/398966965.db2.gz	FALOJDPOVMJBDK-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1	ZINC000292738105	223224699	/nfs/dbraw/zinc/22/46/99/223224699.db2.gz	IVELXJAOVHUIAR-UHFFFAOYSA-N	0	3	322.412	2.938	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000595550319	398967432	/nfs/dbraw/zinc/96/74/32/398967432.db2.gz	PGUARRXSEHGDSN-BZUAXINKSA-N	0	3	301.434	2.660	20	30		DFEDHN
CCO[C@@H]1C[C@](CO)(NCc2ccc(C)c(C#N)c2)C1(C)C	ZINC000599380795	398968247	/nfs/dbraw/zinc/96/82/47/398968247.db2.gz	YRWVFWCWBXLJPT-SJLPKXTDSA-N	0	3	302.418	2.522	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1	ZINC000292829459	223263793	/nfs/dbraw/zinc/26/37/93/223263793.db2.gz	PMUCSTSTZXNZEH-UHFFFAOYSA-N	0	3	322.412	2.938	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCCC[C@@H]43)C2=O)cc1	ZINC000595565910	398974766	/nfs/dbraw/zinc/97/47/66/398974766.db2.gz	FQABRKITWJVJER-SZMVWBNQSA-N	0	3	309.413	2.928	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000595568252	398976191	/nfs/dbraw/zinc/97/61/91/398976191.db2.gz	UBPJECPFMVAGNH-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H](O)CC2(C#N)CC2)cc1Cl	ZINC000599436256	398982572	/nfs/dbraw/zinc/98/25/72/398982572.db2.gz	GZDWXCLETFRBEB-ZDUSSCGKSA-N	0	3	308.809	2.835	20	30		DFEDHN
CC[C@@H](C)C[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163102234	398984095	/nfs/dbraw/zinc/98/40/95/398984095.db2.gz	USYJWSFECHCUPZ-ZIAGYGMSSA-N	0	3	308.447	2.746	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@H](O)CC1(C#N)CC1	ZINC000599450562	398985250	/nfs/dbraw/zinc/98/52/50/398985250.db2.gz	JVNLDTKGEUIYOT-LSDHHAIUSA-N	0	3	322.449	2.627	20	30		DFEDHN
COc1cccc([C@@]2(C)CCN(C[C@@H](O)CC3(C#N)CC3)C2)c1	ZINC000599467658	398989786	/nfs/dbraw/zinc/98/97/86/398989786.db2.gz	IYXDUJHXBFAEGR-WMZOPIPTSA-N	0	3	314.429	2.713	20	30		DFEDHN
Cc1nc(C)c(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1	ZINC000600177955	398990036	/nfs/dbraw/zinc/99/00/36/398990036.db2.gz	VOKMQSYEDHIZBD-UHFFFAOYSA-N	0	3	324.428	2.917	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN(CCOCCO)C1CCC1	ZINC000595602506	398993388	/nfs/dbraw/zinc/99/33/88/398993388.db2.gz	VKDUVPHLGXSXEW-UHFFFAOYSA-N	0	3	316.445	2.851	20	30		DFEDHN
COC(=O)Cc1ccc(CNCc2ccc(C#N)s2)cc1	ZINC000600187247	398994784	/nfs/dbraw/zinc/99/47/84/398994784.db2.gz	LPLBKCRFGXBZBM-UHFFFAOYSA-N	0	3	300.383	2.625	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1C	ZINC000595609992	398997552	/nfs/dbraw/zinc/99/75/52/398997552.db2.gz	RINYMILMOMNAFZ-ROUUACIJSA-N	0	3	316.445	2.977	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000595621428	399006563	/nfs/dbraw/zinc/00/65/63/399006563.db2.gz	UTOLCOMFNKGWHT-LBPRGKRZSA-N	0	3	307.344	2.919	20	30		DFEDHN
CC(C)(NC[C@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000595635412	399011773	/nfs/dbraw/zinc/01/17/73/399011773.db2.gz	KHCIXSLHFDNVPG-IBGZPJMESA-N	0	3	324.424	2.961	20	30		DFEDHN
C[C@H]1CN(c2nccnc2C#N)CCN1CCCC(C)(C)C	ZINC000275478756	212358949	/nfs/dbraw/zinc/35/89/49/212358949.db2.gz	QCRGOVRDUVSEBP-AWEZNQCLSA-N	0	3	301.438	2.685	20	30		DFEDHN
CC(C)(NCCC(=O)Nc1cccnc1)c1cccc(C#N)c1	ZINC000595639527	399014371	/nfs/dbraw/zinc/01/43/71/399014371.db2.gz	LOYBWZATOHGRMH-UHFFFAOYSA-N	0	3	308.385	2.807	20	30		DFEDHN
CC(C)c1ccc2c(c1)CN(CCC(=O)N(C)CCC#N)CC2	ZINC000595657826	399023653	/nfs/dbraw/zinc/02/36/53/399023653.db2.gz	PFLQTMVRJZZPCB-UHFFFAOYSA-N	0	3	313.445	2.930	20	30		DFEDHN
CC(C)CC[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000600308022	399029866	/nfs/dbraw/zinc/02/98/66/399029866.db2.gz	ZXHLSNDHKNQOAN-IAGOWNOFSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1ncccc1CN1CCCN(c2ccccc2C#N)CC1	ZINC000091792572	193109626	/nfs/dbraw/zinc/10/96/26/193109626.db2.gz	SVUGUCDMXGIHGY-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(c3nncn3C)CC2)cc1	ZINC000091795268	193109728	/nfs/dbraw/zinc/10/97/28/193109728.db2.gz	QZMDIGVIXLGKSS-UHFFFAOYSA-N	0	3	324.428	2.597	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)/C=C\c2cccc(C#N)c2)c1	ZINC000255335298	283870598	/nfs/dbraw/zinc/87/05/98/283870598.db2.gz	KJCGMBQOJGROAP-KTKRTIGZSA-N	0	3	319.408	2.949	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1cc(C)ccc1C	ZINC000599640158	399039211	/nfs/dbraw/zinc/03/92/11/399039211.db2.gz	DYPRMBIHSMMRLB-HOCLYGCPSA-N	0	3	317.433	2.744	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000595706142	399047775	/nfs/dbraw/zinc/04/77/75/399047775.db2.gz	GSKZQWRHEAJRAM-PDVMFTSQSA-N	0	3	313.445	2.747	20	30		DFEDHN
C[C@H]1c2ccccc2C[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000595708542	399049209	/nfs/dbraw/zinc/04/92/09/399049209.db2.gz	TVXDKRWISPYCKT-WMLDXEAASA-N	0	3	311.429	2.647	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000057612011	399052290	/nfs/dbraw/zinc/05/22/90/399052290.db2.gz	ORLSLHFTZRJQAN-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000595717335	399051618	/nfs/dbraw/zinc/05/16/18/399051618.db2.gz	MPANJKFKWBKMCN-CQSZACIVSA-N	0	3	324.465	2.511	20	30		DFEDHN
CCCN1CCCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000079538437	399054935	/nfs/dbraw/zinc/05/49/35/399054935.db2.gz	RGMPEVGHBQZFEE-UHFFFAOYSA-N	0	3	317.458	2.860	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CCCC4(CC4)CC3)C2=O)cc1	ZINC000599673520	399055078	/nfs/dbraw/zinc/05/50/78/399055078.db2.gz	RYKKNPDTJAJHNX-QGZVFWFLSA-N	0	3	309.413	2.930	20	30		DFEDHN
C=C(C)COc1cc(CNCC2([S@@](C)=O)CC2)ccc1OC	ZINC000282542801	334995069	/nfs/dbraw/zinc/99/50/69/334995069.db2.gz	ZYPJTSROTRVTHX-JOCHJYFZSA-N	0	3	323.458	2.651	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1	ZINC000079557185	399059075	/nfs/dbraw/zinc/05/90/75/399059075.db2.gz	OFWUSOCCWILERH-DOTOQJQBSA-N	0	3	311.429	2.850	20	30		DFEDHN
N#CCc1cccc2c1CCN(CCC(=O)Nc1cccnc1)C2	ZINC000599678942	399059167	/nfs/dbraw/zinc/05/91/67/399059167.db2.gz	UEIFGQWBGXJPHH-UHFFFAOYSA-N	0	3	320.396	2.535	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000282475169	334996424	/nfs/dbraw/zinc/99/64/24/334996424.db2.gz	DVBPGTGSEZHGBS-MRXNPFEDSA-N	0	3	316.449	2.952	20	30		DFEDHN
C[C@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000366523246	299371788	/nfs/dbraw/zinc/37/17/88/299371788.db2.gz	SKIYLCRFXDSMMZ-APHBMKBZSA-N	0	3	306.431	2.565	20	30		DFEDHN
COC(=O)C1C[C@@H](C)N(CCOc2ccccc2C#N)[C@H](C)C1	ZINC000599704455	399071289	/nfs/dbraw/zinc/07/12/89/399071289.db2.gz	FAUNXMDOXLGQAX-ZIAGYGMSSA-N	0	3	316.401	2.599	20	30		DFEDHN
N#Cc1cccc(C2(NCCO[C@@H]3CC3(F)F)CCOCC2)c1	ZINC000595769574	399078295	/nfs/dbraw/zinc/07/82/95/399078295.db2.gz	SHVUVRZVVANJKL-OAHLLOKOSA-N	0	3	322.355	2.578	20	30		DFEDHN
CCCCOCCNC1(c2cccc(C#N)c2)CCOCC1	ZINC000595774787	399080635	/nfs/dbraw/zinc/08/06/35/399080635.db2.gz	SFURRFMMCWCEFG-UHFFFAOYSA-N	0	3	302.418	2.970	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1	ZINC000275167726	212166237	/nfs/dbraw/zinc/16/62/37/212166237.db2.gz	WBOZPXIKCKUZBC-HOTGVXAUSA-N	0	3	308.491	2.793	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](Cc1ccccc1C)C1CC1	ZINC000284511062	335013418	/nfs/dbraw/zinc/01/34/18/335013418.db2.gz	WBWZGXMLOXTQLI-QGZVFWFLSA-N	0	3	307.459	2.507	20	30		DFEDHN
C[C@@]1(C#N)CCN(CC2(CN3CC[C@](C)(C#N)C3)CCC2)C1	ZINC000595841901	399109234	/nfs/dbraw/zinc/10/92/34/399109234.db2.gz	PHUMNPVBBIIVKO-CALCHBBNSA-N	0	3	300.450	2.628	20	30		DFEDHN
C[C@]1(C#N)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000595844372	399111008	/nfs/dbraw/zinc/11/10/08/399111008.db2.gz	SDJRNNXAVXORAE-RTBURBONSA-N	0	3	313.445	2.513	20	30		DFEDHN
C=CCCOCC(=O)N(CCN1CCCC1)c1ccccc1	ZINC000606815549	399113310	/nfs/dbraw/zinc/11/33/10/399113310.db2.gz	QZFDYOBSZMMJSF-UHFFFAOYSA-N	0	3	302.418	2.708	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1[C@@H]2CC[C@H]1CC(C)C2	ZINC000595856836	399114783	/nfs/dbraw/zinc/11/47/83/399114783.db2.gz	GFMYDRIUEGKIGR-PNRVRQOCSA-N	0	3	303.450	2.980	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(OCCOC)CC2)cc1	ZINC000093339565	193234533	/nfs/dbraw/zinc/23/45/33/193234533.db2.gz	IGMYQHQWBYNMLC-UHFFFAOYSA-N	0	3	317.429	2.716	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)CC1	ZINC000600719846	399123290	/nfs/dbraw/zinc/12/32/90/399123290.db2.gz	KXEYUPUNUVXWIR-SMDDNHRTSA-N	0	3	306.793	2.808	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1	ZINC000600721726	399123889	/nfs/dbraw/zinc/12/38/89/399123889.db2.gz	FLHWDJNEOKJDMG-ULQDDVLXSA-N	0	3	300.402	2.551	20	30		DFEDHN
CCC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccn1	ZINC000600721330	399124615	/nfs/dbraw/zinc/12/46/15/399124615.db2.gz	LHNUQEUUUWHSAD-CVEARBPZSA-N	0	3	317.433	2.584	20	30		DFEDHN
CO[C@@]1(C)C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093871756	193321681	/nfs/dbraw/zinc/32/16/81/193321681.db2.gz	WMJCDJBUOIFWTM-QAPCUYQASA-N	0	3	312.417	2.841	20	30		DFEDHN
CCOc1ccc2c(c1)[C@H](NC[C@@H](O)CC1(C#N)CC1)CCO2	ZINC000600735687	399129719	/nfs/dbraw/zinc/12/97/19/399129719.db2.gz	PCXBUFYLFBZGCC-XJKSGUPXSA-N	0	3	316.401	2.553	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)CC1	ZINC000600736927	399130268	/nfs/dbraw/zinc/13/02/68/399130268.db2.gz	BMFRRCLEKRYVOZ-BLLLJJGKSA-N	0	3	306.356	2.987	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1)C(CC)CC	ZINC000179790373	399130639	/nfs/dbraw/zinc/13/06/39/399130639.db2.gz	OYSJGQPTZFKFKA-QGZVFWFLSA-N	0	3	317.433	2.765	20	30		DFEDHN
CN(CCOc1ccccc1C#N)Cc1ccc2c(c1)OCO2	ZINC000060465329	399132105	/nfs/dbraw/zinc/13/21/05/399132105.db2.gz	OKCMSAGPJZBYDW-UHFFFAOYSA-N	0	3	310.353	2.798	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@@H](O)COc2ccccc2C#N)c1	ZINC000600745226	399134092	/nfs/dbraw/zinc/13/40/92/399134092.db2.gz	DSLBNPQQAAXFKP-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@H]1CCCc2ccc(Cl)cc21	ZINC000600753265	399135086	/nfs/dbraw/zinc/13/50/86/399135086.db2.gz	AOLVRFIAFWLZOJ-WBVHZDCISA-N	0	3	321.852	2.513	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000600749703	399135258	/nfs/dbraw/zinc/13/52/58/399135258.db2.gz	YJKBHMUEWBOCAH-UFBFGSQYSA-N	0	3	301.173	2.693	20	30		DFEDHN
C=CCCCCCN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000284602856	335013967	/nfs/dbraw/zinc/01/39/67/335013967.db2.gz	ANDIZIIEMZAHMX-CRAIPNDOSA-N	0	3	316.449	2.561	20	30		DFEDHN
CCC(CC)(CNC(=O)[C@]1(C#N)CCNC1)c1ccc(F)cc1	ZINC000595985707	399143983	/nfs/dbraw/zinc/14/39/83/399143983.db2.gz	KVZYYDACXJYYJA-SFHVURJKSA-N	0	3	317.408	2.503	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000134880479	335014530	/nfs/dbraw/zinc/01/45/30/335014530.db2.gz	WVKCXBLNRRIWLK-LZLYRXPVSA-N	0	3	316.445	2.747	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1	ZINC000614167518	399168289	/nfs/dbraw/zinc/16/82/89/399168289.db2.gz	RWDDAMOSCBDLEH-QGZVFWFLSA-N	0	3	323.444	2.991	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000596086735	399168602	/nfs/dbraw/zinc/16/86/02/399168602.db2.gz	AQWYIIRHLHZOFP-GVDBMIGSSA-N	0	3	314.433	2.671	20	30		DFEDHN
Cc1cc(N(C)CCN(C)C)n2c3ccccc3nc2c1C#N	ZINC000080684724	399170988	/nfs/dbraw/zinc/17/09/88/399170988.db2.gz	GAJZKJAAPFLJFT-UHFFFAOYSA-N	0	3	307.401	2.665	20	30		DFEDHN
Cc1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)ccc1C#N	ZINC000618591487	399173805	/nfs/dbraw/zinc/17/38/05/399173805.db2.gz	ISZSLJOBIXLTCR-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000607538298	399173928	/nfs/dbraw/zinc/17/39/28/399173928.db2.gz	ZNGXUNDQDKHBQZ-WMLDXEAASA-N	0	3	322.474	2.840	20	30		DFEDHN
Cn1ncc(C#N)c1NCC1CCN(Cc2cccs2)CC1	ZINC000596099529	399173322	/nfs/dbraw/zinc/17/33/22/399173322.db2.gz	XCDKYUJMUSOSLR-UHFFFAOYSA-N	0	3	315.446	2.677	20	30		DFEDHN
CC(=O)N1CC[C@H](NCc2ccc(Cl)cc2C#N)[C@H](C)C1	ZINC000614204482	399174999	/nfs/dbraw/zinc/17/49/99/399174999.db2.gz	RLHCHZGRQDYKEF-BZNIZROVSA-N	0	3	305.809	2.558	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@@H]1NCc1ccnc(C#N)c1	ZINC000614214314	399176614	/nfs/dbraw/zinc/17/66/14/399176614.db2.gz	BUQCZWIBHAVSMH-HOTGVXAUSA-N	0	3	301.390	2.555	20	30		DFEDHN
C#CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000271715098	209149902	/nfs/dbraw/zinc/14/99/02/209149902.db2.gz	PCSHWTZWWLQYRQ-UYAOXDASSA-N	0	3	320.392	2.652	20	30		DFEDHN
Cc1c(C#N)cncc1-c1ccccc1CN1CCN(C)CC1	ZINC000600947270	399184073	/nfs/dbraw/zinc/18/40/73/399184073.db2.gz	XCYHEKWVWYDELU-UHFFFAOYSA-N	0	3	306.413	2.676	20	30		DFEDHN
C=CCN(CCC(=O)N1CCCCC1)Cc1cccc(C#N)c1	ZINC000063300156	399184387	/nfs/dbraw/zinc/18/43/87/399184387.db2.gz	JQINYWSWTGHFOC-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)cc1C#N	ZINC000266172288	205157877	/nfs/dbraw/zinc/15/78/77/205157877.db2.gz	RLGKSZYHUHRJEP-XIKOKIGWSA-N	0	3	314.360	2.918	20	30		DFEDHN
N#Cc1cc(Cl)ccc1-n1cc(CNC2CCCC2)nn1	ZINC000600975393	399192784	/nfs/dbraw/zinc/19/27/84/399192784.db2.gz	BAVDQPMWKQKVFW-UHFFFAOYSA-N	0	3	301.781	2.825	20	30		DFEDHN
COc1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1C#N	ZINC000266198881	205177296	/nfs/dbraw/zinc/17/72/96/205177296.db2.gz	KTUFPECABLZRAF-KRWDZBQOSA-N	0	3	307.397	2.935	20	30		DFEDHN
CCc1nc(C#N)cc(N(CCN(C)C)Cc2cccc(C)c2)n1	ZINC000596159054	399195573	/nfs/dbraw/zinc/19/55/73/399195573.db2.gz	FLIITXAJIOPMPL-UHFFFAOYSA-N	0	3	323.444	2.787	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)CC1	ZINC000266452549	205357412	/nfs/dbraw/zinc/35/74/12/205357412.db2.gz	BZRKNCGWVFPPRK-AEFFLSMTSA-N	0	3	313.445	2.567	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000266473562	205372555	/nfs/dbraw/zinc/37/25/55/205372555.db2.gz	UUEMFHIJTYRHTB-OCCSQVGLSA-N	0	3	316.405	2.513	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000081123991	399212502	/nfs/dbraw/zinc/21/25/02/399212502.db2.gz	PLLUOSVHLAXWIA-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)s2)C1	ZINC000342726363	284395409	/nfs/dbraw/zinc/39/54/09/284395409.db2.gz	BXYRCOCLBPKUHL-CYBMUJFWSA-N	0	3	311.410	2.753	20	30		DFEDHN
N#Cc1cccc(OC[C@]2(O)CCN(Cc3ccccc3)C2)c1	ZINC000601069202	399218108	/nfs/dbraw/zinc/21/81/08/399218108.db2.gz	KLEQBUZYRXMDTC-IBGZPJMESA-N	0	3	308.381	2.574	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCc1ccccc1	ZINC000285280562	335022925	/nfs/dbraw/zinc/02/29/25/335022925.db2.gz	ZFEGCPGLGVZLFV-XLIONFOSSA-N	0	3	320.436	2.916	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N1CCCCCC1	ZINC000618788910	399236297	/nfs/dbraw/zinc/23/62/97/399236297.db2.gz	CRWUVYHAVQCTDO-KSSFIOAISA-N	0	3	311.429	2.926	20	30		DFEDHN
CS[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@@H]1N(C)C	ZINC000601134590	399237269	/nfs/dbraw/zinc/23/72/69/399237269.db2.gz	DVTQIZSWFVUSCE-QWHCGFSZSA-N	0	3	318.471	2.650	20	30		DFEDHN
C[C@@](CO)(Cc1ccccc1F)NCc1ccc(C#N)c(F)c1	ZINC000601152796	399242602	/nfs/dbraw/zinc/24/26/02/399242602.db2.gz	FZSCALQKDWFVFX-SFHVURJKSA-N	0	3	316.351	2.920	20	30		DFEDHN
C[C@](CO)(Cc1ccccc1F)NCc1cc(C#N)cs1	ZINC000601153763	399242612	/nfs/dbraw/zinc/24/26/12/399242612.db2.gz	SKGKINRWCYOZER-MRXNPFEDSA-N	0	3	304.390	2.842	20	30		DFEDHN
N#Cc1ccc(CNCC[C@@H](O)C(F)F)c(C(F)(F)F)c1	ZINC000601147024	399241172	/nfs/dbraw/zinc/24/11/72/399241172.db2.gz	HBFZKKZNYAOVFG-LLVKDONJSA-N	0	3	308.250	2.683	20	30		DFEDHN
C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc(C#N)cs1	ZINC000601154061	399243362	/nfs/dbraw/zinc/24/33/62/399243362.db2.gz	XTJIUBFKAFMILM-INIZCTEOSA-N	0	3	304.390	2.842	20	30		DFEDHN
C=C(C)COc1cc(CNCC2(C)OCCCO2)ccc1OC	ZINC000192249501	335024425	/nfs/dbraw/zinc/02/44/25/335024425.db2.gz	ZFKKGYAKVNKTPB-UHFFFAOYSA-N	0	3	321.417	2.893	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCC(C)(C)CCC#N)c1ccccc1	ZINC000563816754	335028391	/nfs/dbraw/zinc/02/83/91/335028391.db2.gz	ONVRFJBWSCGLJN-INIZCTEOSA-N	0	3	316.449	2.918	20	30		DFEDHN
C#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1	ZINC000192310023	335029522	/nfs/dbraw/zinc/02/95/22/335029522.db2.gz	HMVJGCMFEUSQRY-UHFFFAOYSA-N	0	3	308.372	2.659	20	30		DFEDHN
C[C@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)cc1	ZINC000601294433	399272013	/nfs/dbraw/zinc/27/20/13/399272013.db2.gz	OGSKYDGINPIZTL-ZDUSSCGKSA-N	0	3	304.390	2.567	20	30		DFEDHN
N#CCc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1	ZINC000601333104	399278432	/nfs/dbraw/zinc/27/84/32/399278432.db2.gz	AGHXPBUOXNNMIJ-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)C1(C#N)CCCC1	ZINC000601622809	399310353	/nfs/dbraw/zinc/31/03/53/399310353.db2.gz	VQZPBJVOFXBRSS-UHFFFAOYSA-N	0	3	301.390	2.779	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSCc2ccc(F)cc2)CC1	ZINC000609266384	399311692	/nfs/dbraw/zinc/31/16/92/399311692.db2.gz	DREKDSXUZBFCGW-UHFFFAOYSA-N	0	3	322.449	2.826	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C#N)cc1Cl	ZINC000615231883	399315158	/nfs/dbraw/zinc/31/51/58/399315158.db2.gz	JULPFXYDCUYQJS-PBHICJAKSA-N	0	3	319.836	2.948	20	30		DFEDHN
C[C@@H](C#N)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C	ZINC000609413107	399317837	/nfs/dbraw/zinc/31/78/37/399317837.db2.gz	HHYOHDBWOXNUGY-LSDHHAIUSA-N	0	3	315.417	2.582	20	30		DFEDHN
Cc1noc(C)c1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619291446	399325531	/nfs/dbraw/zinc/32/55/31/399325531.db2.gz	SAPQMWAYIJXMHP-MEDUHNTESA-N	0	3	322.368	2.723	20	30		DFEDHN
C=C(C)CCNC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417679130	335041608	/nfs/dbraw/zinc/04/16/08/335041608.db2.gz	HEUQWMRRPPBXJK-UHFFFAOYSA-N	0	3	321.421	2.723	20	30		DFEDHN
Cc1ncc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000601764013	399332143	/nfs/dbraw/zinc/33/21/43/399332143.db2.gz	ATIBOCLZCJKTJB-XHDPSFHLSA-N	0	3	324.409	2.883	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000601773156	399333057	/nfs/dbraw/zinc/33/30/57/399333057.db2.gz	JLKILGGAZOFDAX-UHFFFAOYSA-N	0	3	323.400	2.582	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)CSc1ccc(C#N)cc1	ZINC000609833642	399333166	/nfs/dbraw/zinc/33/31/66/399333166.db2.gz	QRBBEXMMCLKXSM-OAHLLOKOSA-N	0	3	317.458	2.641	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2Cc3ccccc32)cc1	ZINC000619359192	399333257	/nfs/dbraw/zinc/33/32/57/399333257.db2.gz	FXSRIQZTOGOUEN-ROUUACIJSA-N	0	3	315.376	2.697	20	30		DFEDHN
CC(=O)Nc1ccn([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)n1	ZINC000615446236	399337969	/nfs/dbraw/zinc/33/79/69/399337969.db2.gz	NVNPPVKPSXLNKT-GUYCJALGSA-N	0	3	323.400	2.721	20	30		DFEDHN
N#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)cn1	ZINC000610051573	399340516	/nfs/dbraw/zinc/34/05/16/399340516.db2.gz	VSGJKKRDYSGIKQ-UHFFFAOYSA-N	0	3	320.396	2.696	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H](C)CO	ZINC000273985951	211244996	/nfs/dbraw/zinc/24/49/96/211244996.db2.gz	JEYNGFRBXCJISM-STQMWFEESA-N	0	3	308.447	2.510	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@@H](C)CO	ZINC000273985948	211244179	/nfs/dbraw/zinc/24/41/79/211244179.db2.gz	JEYNGFRBXCJISM-QWHCGFSZSA-N	0	3	308.447	2.510	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](C(F)F)CC1	ZINC000601825673	399344257	/nfs/dbraw/zinc/34/42/57/399344257.db2.gz	RTXCNPHCFUZEQA-CABCVRRESA-N	0	3	322.355	2.642	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NCc3ccc(O)cc3)C2=O)cc1	ZINC000615506826	399345390	/nfs/dbraw/zinc/34/53/90/399345390.db2.gz	CDUIYHUMTXAVCJ-GOSISDBHSA-N	0	3	321.380	2.549	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@H]1[C@H]1CCCO1	ZINC000284704167	218142220	/nfs/dbraw/zinc/14/22/20/218142220.db2.gz	IRPCLQXKFLWFFZ-JKSUJKDBSA-N	0	3	316.401	2.589	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(C#N)o1	ZINC000610271773	399352271	/nfs/dbraw/zinc/35/22/71/399352271.db2.gz	CKCMQUCONASXAY-CZUORRHYSA-N	0	3	303.406	2.524	20	30		DFEDHN
CN1CCN(CCCSc2ccc(Cl)cc2C#N)CC1	ZINC000601911683	399356432	/nfs/dbraw/zinc/35/64/32/399356432.db2.gz	HYGCYZHBUCEMGT-UHFFFAOYSA-N	0	3	309.866	2.941	20	30		DFEDHN
CC1=C(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000619517011	399356936	/nfs/dbraw/zinc/35/69/36/399356936.db2.gz	BGFQKUYKWYXLTQ-QGZVFWFLSA-N	0	3	300.402	2.534	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN[C@@H]2CCc3ccccc32)cc1	ZINC000619558352	399362303	/nfs/dbraw/zinc/36/23/03/399362303.db2.gz	HQAURRSBMCHMEF-FXAWDEMLSA-N	0	3	322.408	2.769	20	30		DFEDHN
N#C[C@]1(F)CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	ZINC000615650368	399367820	/nfs/dbraw/zinc/36/78/20/399367820.db2.gz	JUDVRRUPYYKNEN-GOSISDBHSA-N	0	3	317.408	2.599	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cc(C#N)ccc1Cl	ZINC000284950274	218246671	/nfs/dbraw/zinc/24/66/71/218246671.db2.gz	BHBYPOIBZSRWPV-CYBMUJFWSA-N	0	3	307.825	2.918	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1CCOc1ccccc1C#N	ZINC000610582883	399382973	/nfs/dbraw/zinc/38/29/73/399382973.db2.gz	DTXYMODIAUDPLL-ZWKOTPCHSA-N	0	3	313.445	2.886	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1	ZINC000623415542	399384495	/nfs/dbraw/zinc/38/44/95/399384495.db2.gz	OODYGNMHYGHSAT-OAHLLOKOSA-N	0	3	301.434	2.856	20	30		DFEDHN
C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	ZINC000268587754	206818019	/nfs/dbraw/zinc/81/80/19/206818019.db2.gz	FAURJXZPTOLTPI-DYVFJYSZSA-N	0	3	324.380	2.714	20	30		DFEDHN
COC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000602019843	399386110	/nfs/dbraw/zinc/38/61/10/399386110.db2.gz	JUWZUPMKSYXBQT-KRWDZBQOSA-N	0	3	323.396	2.851	20	30		DFEDHN
N#Cc1c(F)cccc1CNCC1(CC(N)=O)CCCCC1	ZINC000602027935	399387529	/nfs/dbraw/zinc/38/75/29/399387529.db2.gz	JOTWHTYDGDGXFL-UHFFFAOYSA-N	0	3	303.381	2.613	20	30		DFEDHN
CCN(CC)C(=O)C[C@H](C)NCc1ccc(C#N)c(Cl)c1	ZINC000619754917	399387853	/nfs/dbraw/zinc/38/78/53/399387853.db2.gz	ONWRWLBBUWMJFP-LBPRGKRZSA-N	0	3	307.825	2.948	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000610676412	399392052	/nfs/dbraw/zinc/39/20/52/399392052.db2.gz	KBFSOSIBROXYTH-TZMCWYRMSA-N	0	3	317.437	2.576	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N	ZINC000478877328	269685174	/nfs/dbraw/zinc/68/51/74/269685174.db2.gz	VYVMHINKMQFCHN-UHFFFAOYSA-N	0	3	323.396	2.984	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000287522551	335044488	/nfs/dbraw/zinc/04/44/88/335044488.db2.gz	VIPQMAFUYUETDI-MOPGFXCFSA-N	0	3	310.441	2.612	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000610718353	399397092	/nfs/dbraw/zinc/39/70/92/399397092.db2.gz	ZOSSWYGEWOKIQI-CQSZACIVSA-N	0	3	304.369	2.693	20	30		DFEDHN
COC(=O)C[C@H]1CCCCN1CCCOc1cccc(C#N)c1	ZINC000610786266	399406341	/nfs/dbraw/zinc/40/63/41/399406341.db2.gz	GNQGFXYTCDQZDA-MRXNPFEDSA-N	0	3	316.401	2.745	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(CC)C1	ZINC000056752911	184018974	/nfs/dbraw/zinc/01/89/74/184018974.db2.gz	OBIINUASJLEPSV-CQSZACIVSA-N	0	3	316.405	2.563	20	30		DFEDHN
CN(CCOC(C)(C)C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000610859703	399412985	/nfs/dbraw/zinc/41/29/85/399412985.db2.gz	IKDQIFSBQYMXND-UHFFFAOYSA-N	0	3	303.406	2.634	20	30		DFEDHN
CCN1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1	ZINC000610877523	399414868	/nfs/dbraw/zinc/41/48/68/399414868.db2.gz	LVVQCZDJCFLUKM-HZMBPMFUSA-N	0	3	306.797	2.673	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H](c2cnn(C)c2)C1	ZINC000610953274	399421279	/nfs/dbraw/zinc/42/12/79/399421279.db2.gz	ARFWYIQTOBOPIK-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
CCN1C[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000610972580	399423909	/nfs/dbraw/zinc/42/39/09/399423909.db2.gz	VQJFSYZSKKCENS-XIRDDKMYSA-N	0	3	314.433	2.671	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCc2ccc(O)cc2CC1	ZINC000610986226	399425140	/nfs/dbraw/zinc/42/51/40/399425140.db2.gz	ZDPRABXGRMHSBH-UHFFFAOYSA-N	0	3	308.381	2.873	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000602340935	399427552	/nfs/dbraw/zinc/42/75/52/399427552.db2.gz	GFELUHNSKHELRA-UAGQMJEPSA-N	0	3	318.465	2.775	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)CC(C)(C)N1CCOCC1	ZINC000602454593	399448687	/nfs/dbraw/zinc/44/86/87/399448687.db2.gz	NXTCKZPMAVGJLC-UHFFFAOYSA-N	0	3	313.445	2.657	20	30		DFEDHN
Cc1nc(CN2CCCN(C[C@@H](C)CCC#N)CC2)oc1C	ZINC000602465689	399451314	/nfs/dbraw/zinc/45/13/14/399451314.db2.gz	KAKLQMVJWTWHHR-AWEZNQCLSA-N	0	3	304.438	2.739	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000620207949	399460405	/nfs/dbraw/zinc/46/04/05/399460405.db2.gz	QQZGYAHJALHRBG-RDJZCZTQSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)cc(OC)c1O	ZINC000623752632	399458598	/nfs/dbraw/zinc/45/85/98/399458598.db2.gz	IWYCRQPXPURJFG-HZPDHXFCSA-N	0	3	303.402	2.786	20	30		DFEDHN
N#Cc1cccc(CNc2ccccc2CN2CCC(O)CC2)n1	ZINC000602487978	399459597	/nfs/dbraw/zinc/45/95/97/399459597.db2.gz	QOOAZIOFQQAYKT-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
N#Cc1cccc(CNC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000602502903	399461854	/nfs/dbraw/zinc/46/18/54/399461854.db2.gz	IMBAANYMCNJYKZ-LJQANCHMSA-N	0	3	306.413	2.880	20	30		DFEDHN
N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)c(Cl)c1	ZINC000269103463	207242748	/nfs/dbraw/zinc/24/27/48/207242748.db2.gz	GNDSEEPCIXXHJT-UHFFFAOYSA-N	0	3	318.808	2.960	20	30		DFEDHN
COc1ccc(OC)c(CN[C@H](C)CC2(C#N)CCOCC2)c1	ZINC000602507072	399463601	/nfs/dbraw/zinc/46/36/01/399463601.db2.gz	ODVXDUNGDYSQPV-CQSZACIVSA-N	0	3	318.417	2.892	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)n1	ZINC000602520446	399467069	/nfs/dbraw/zinc/46/70/69/399467069.db2.gz	GDVLBCJUBQKDHZ-AWEZNQCLSA-N	0	3	310.376	2.708	20	30		DFEDHN
C#CCCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000269163746	207286938	/nfs/dbraw/zinc/28/69/38/207286938.db2.gz	VIZGRQGMAPDTKC-UHFFFAOYSA-N	0	3	315.417	2.696	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C#N)c1	ZINC000611388639	399468452	/nfs/dbraw/zinc/46/84/52/399468452.db2.gz	QNDMMLSRWFZNSQ-RDTXWAMCSA-N	0	3	321.380	2.520	20	30		DFEDHN
N#Cc1ccc(N2CCC(NCc3cc(C4CC4)no3)CC2)nc1	ZINC000602534332	399470273	/nfs/dbraw/zinc/47/02/73/399470273.db2.gz	STOIOYRAXRMKJH-UHFFFAOYSA-N	0	3	323.400	2.577	20	30		DFEDHN
CC(C)(C)N1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394609	399470528	/nfs/dbraw/zinc/47/05/28/399470528.db2.gz	SHMPAOWCSMXGQQ-DOTOQJQBSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@@H](N)CCCC#N	ZINC000602545562	399472687	/nfs/dbraw/zinc/47/26/87/399472687.db2.gz	FUGCNPPBZNCLJB-KRWDZBQOSA-N	0	3	319.424	2.874	20	30		DFEDHN
CC1([C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)OCCO1	ZINC000183854663	335046922	/nfs/dbraw/zinc/04/69/22/335046922.db2.gz	GSYYEAVYVWEPTM-MRXNPFEDSA-N	0	3	303.377	2.652	20	30		DFEDHN
C[C@H](CCC#N)CN[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000602549962	399473360	/nfs/dbraw/zinc/47/33/60/399473360.db2.gz	GLRMPXIHPFQKFW-TZMCWYRMSA-N	0	3	305.809	2.975	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000611478774	399480246	/nfs/dbraw/zinc/48/02/46/399480246.db2.gz	FTBYWJMIVQZNLR-KRWDZBQOSA-N	0	3	311.429	2.846	20	30		DFEDHN
CC(C)(CNC(=O)[C@@]1(C#N)CCNC1)c1ccc2ccccc2c1	ZINC000602572846	399479529	/nfs/dbraw/zinc/47/95/29/399479529.db2.gz	NGAGQWOVUWXWPU-HXUWFJFHSA-N	0	3	321.424	2.737	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NCc2cccc(C#N)n2)CC1	ZINC000602574654	399480064	/nfs/dbraw/zinc/48/00/64/399480064.db2.gz	LAUULXJMTACNCB-OAHLLOKOSA-N	0	3	321.428	2.663	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc([N+](=O)[O-])cc1	ZINC000602586807	399483909	/nfs/dbraw/zinc/48/39/09/399483909.db2.gz	WCZDWGXIHXLIPX-ZDUSSCGKSA-N	0	3	303.362	2.783	20	30		DFEDHN
C[C@H](CCC#N)CNc1ccc2oc(=O)n(CCN(C)C)c2c1	ZINC000602586861	399483968	/nfs/dbraw/zinc/48/39/68/399483968.db2.gz	DLOQHASZUKOSQM-CYBMUJFWSA-N	0	3	316.405	2.508	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cc(F)cc(OC(F)F)c1	ZINC000602611734	399490018	/nfs/dbraw/zinc/49/00/18/399490018.db2.gz	LBAFRHNGXQCMSS-LBPRGKRZSA-N	0	3	315.295	2.777	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cnc2c(ccc(F)c2F)c1	ZINC000602611371	399490263	/nfs/dbraw/zinc/49/02/63/399490263.db2.gz	NDJMSIWRUXUGPG-CYBMUJFWSA-N	0	3	318.327	2.863	20	30		DFEDHN
N#Cc1cccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)n1	ZINC000602626951	399495234	/nfs/dbraw/zinc/49/52/34/399495234.db2.gz	BWDUXIKJTUNLAT-FZMZJTMJSA-N	0	3	313.323	2.526	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccccc1	ZINC000611623017	399500161	/nfs/dbraw/zinc/50/01/61/399500161.db2.gz	VXFGSPTZCUSROA-INIZCTEOSA-N	0	3	316.449	2.918	20	30		DFEDHN
C[C@H](C#N)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000611624113	399500241	/nfs/dbraw/zinc/50/02/41/399500241.db2.gz	VXWCASYNGOIJMC-NVXWUHKLSA-N	0	3	314.433	2.672	20	30		DFEDHN
CC(C)(C#N)CNC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000611623044	399500348	/nfs/dbraw/zinc/50/03/48/399500348.db2.gz	ZUAIZXFAVQICLP-CYBMUJFWSA-N	0	3	320.462	2.734	20	30		DFEDHN
COC(=O)c1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602658693	399505383	/nfs/dbraw/zinc/50/53/83/399505383.db2.gz	HYEAKGHQXYQWJT-AWEZNQCLSA-N	0	3	316.401	2.662	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)n1)Cc1ccccc1F	ZINC000602659260	399506090	/nfs/dbraw/zinc/50/60/90/399506090.db2.gz	KWLBNIUZMMLCHM-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)Cc2cccc(C#N)n2)c1	ZINC000602663484	399508142	/nfs/dbraw/zinc/50/81/42/399508142.db2.gz	RUVQKEWGPQEOJI-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
C[C@H](CN(Cc1cccc(C#N)n1)[C@@H](C)CO)c1ccccc1	ZINC000602666704	399511195	/nfs/dbraw/zinc/51/11/95/399511195.db2.gz	NZOHYNNVBWOZMC-CVEARBPZSA-N	0	3	309.413	2.940	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@H](OCC(C)C)C1	ZINC000119616820	195003003	/nfs/dbraw/zinc/00/30/03/195003003.db2.gz	UABCXNGDJCPFES-INIZCTEOSA-N	0	3	318.417	2.693	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000193413153	335048343	/nfs/dbraw/zinc/04/83/43/335048343.db2.gz	YUJBVUKTDXLEOG-KSSFIOAISA-N	0	3	312.413	2.937	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000193417598	335048353	/nfs/dbraw/zinc/04/83/53/335048353.db2.gz	NASHLNLWMWUBGR-SFHVURJKSA-N	0	3	312.413	2.939	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cncc(F)c1	ZINC000611942178	399546944	/nfs/dbraw/zinc/54/69/44/399546944.db2.gz	VSHQWWABTGDXQL-SNVBAGLBSA-N	0	3	318.377	2.833	20	30		DFEDHN
C=CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1	ZINC000602761076	399559241	/nfs/dbraw/zinc/55/92/41/399559241.db2.gz	VXBLBGLPGMFTHX-UHFFFAOYSA-N	0	3	300.362	2.788	20	30		DFEDHN
N#CCC1(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1	ZINC000602760848	399559762	/nfs/dbraw/zinc/55/97/62/399559762.db2.gz	CYOVAKHLTFFTAG-OAHLLOKOSA-N	0	3	313.449	2.878	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000602770122	399565026	/nfs/dbraw/zinc/56/50/26/399565026.db2.gz	WHQZOLKSUBMDFF-OALUTQOASA-N	0	3	316.445	2.681	20	30		DFEDHN
C=CCCOCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000287885069	335049699	/nfs/dbraw/zinc/04/96/99/335049699.db2.gz	MPAVKNZKEKTLNY-NVXWUHKLSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCCOCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000287885072	335049760	/nfs/dbraw/zinc/04/97/60/335049760.db2.gz	MPAVKNZKEKTLNY-RDJZCZTQSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCCCCC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C	ZINC000193553534	335049802	/nfs/dbraw/zinc/04/98/02/335049802.db2.gz	FGCFTHYRTOQGSO-LBPRGKRZSA-N	0	3	304.398	2.888	20	30		DFEDHN
C=CCCCCCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C	ZINC000193553534	335049803	/nfs/dbraw/zinc/04/98/03/335049803.db2.gz	FGCFTHYRTOQGSO-LBPRGKRZSA-N	0	3	304.398	2.888	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1	ZINC000617007703	399569666	/nfs/dbraw/zinc/56/96/66/399569666.db2.gz	YPFFXLUXIUDBFA-INIZCTEOSA-N	0	3	316.445	2.783	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1C#N	ZINC000157907878	197224941	/nfs/dbraw/zinc/22/49/41/197224941.db2.gz	GFDUUVJBDWNXIO-OAHLLOKOSA-N	0	3	316.405	2.513	20	30		DFEDHN
N#CCC1(CN[C@@H](CO)c2ccc(Br)cc2)CC1	ZINC000602806293	399582892	/nfs/dbraw/zinc/58/28/92/399582892.db2.gz	MWYFFFCWIQJSJT-ZDUSSCGKSA-N	0	3	309.207	2.766	20	30		DFEDHN
COC(=O)COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1	ZINC000602812089	399584672	/nfs/dbraw/zinc/58/46/72/399584672.db2.gz	UVXCBPNPEZUSLW-CYBMUJFWSA-N	0	3	302.374	2.583	20	30		DFEDHN
CC#CCCN1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000156551700	197122692	/nfs/dbraw/zinc/12/26/92/197122692.db2.gz	XYIXEZACDVCISD-UHFFFAOYSA-N	0	3	302.393	2.567	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000111472244	285204247	/nfs/dbraw/zinc/20/42/47/285204247.db2.gz	AYRFYJZXRMNCKV-YOEHRIQHSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=C(CNC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1	ZINC000288139175	335053154	/nfs/dbraw/zinc/05/31/54/335053154.db2.gz	YEPDULOZSHYDPZ-INIZCTEOSA-N	0	3	301.434	2.683	20	30		DFEDHN
C[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1n1ccnc1	ZINC000156502111	197118004	/nfs/dbraw/zinc/11/80/04/197118004.db2.gz	VYVAYGXHHDRVIP-YJBOKZPZSA-N	0	3	310.401	2.717	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCCN(c2ccncc2)CC1	ZINC000602844318	399598851	/nfs/dbraw/zinc/59/88/51/399598851.db2.gz	AIPZIKRBDUMDTB-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(Cc2nc(C3CCCC3)no2)CC1	ZINC000625634488	399599864	/nfs/dbraw/zinc/59/98/64/399599864.db2.gz	SUDIUUJKJBXPFR-MRXNPFEDSA-N	0	3	319.449	2.919	20	30		DFEDHN
C=CCCOCCNC(=O)c1oc2ccccc2c1CN(C)C	ZINC000155326299	197044676	/nfs/dbraw/zinc/04/46/76/197044676.db2.gz	YQLANHHZRQHPEK-UHFFFAOYSA-N	0	3	316.401	2.817	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000155245801	197036222	/nfs/dbraw/zinc/03/62/22/197036222.db2.gz	MAIQQAJTBRJFSZ-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@H](C)N1CC#N	ZINC000602857196	399605279	/nfs/dbraw/zinc/60/52/79/399605279.db2.gz	PIQNDGZFVJZULA-GASCZTMLSA-N	0	3	305.397	2.513	20	30		DFEDHN
C#CCCCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000155003919	197012922	/nfs/dbraw/zinc/01/29/22/197012922.db2.gz	QEXLMJVICNHLNJ-UHFFFAOYSA-N	0	3	319.424	2.702	20	30		DFEDHN
COc1ccccc1CCCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602855376	399605028	/nfs/dbraw/zinc/60/50/28/399605028.db2.gz	TVJUXYRYJXNORJ-HZPDHXFCSA-N	0	3	301.434	2.546	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c(Cl)cccc2OC)CC1	ZINC000153494293	196882784	/nfs/dbraw/zinc/88/27/84/196882784.db2.gz	PMPRQEKDKRFECD-UHFFFAOYSA-N	0	3	322.836	2.658	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2cc(Cl)ccc2OC)C1	ZINC000625699664	399615738	/nfs/dbraw/zinc/61/57/38/399615738.db2.gz	CDDJMQGZIVSMTK-ZDUSSCGKSA-N	0	3	322.836	2.863	20	30		DFEDHN
C=CC[C@@H]1CCN([C@@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000625701445	399616905	/nfs/dbraw/zinc/61/69/05/399616905.db2.gz	RRZCADMXCBQKFA-GDBMZVCRSA-N	0	3	300.402	2.699	20	30		DFEDHN
C=CC[C@H]1CCN([C@@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000625701448	399617021	/nfs/dbraw/zinc/61/70/21/399617021.db2.gz	RRZCADMXCBQKFA-GOEBONIOSA-N	0	3	300.402	2.699	20	30		DFEDHN
N#CCc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602890348	399617216	/nfs/dbraw/zinc/61/72/16/399617216.db2.gz	HNRFKWDSPHBNGA-QZTJIDSGSA-N	0	3	314.429	2.552	20	30		DFEDHN
Cc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C#N	ZINC000602891795	399617410	/nfs/dbraw/zinc/61/74/10/399617410.db2.gz	PFXWGWUXNBMEDD-MSOLQXFVSA-N	0	3	314.429	2.667	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccccc2OC)C1	ZINC000625702097	399617666	/nfs/dbraw/zinc/61/76/66/399617666.db2.gz	SNKNEEUAXLVALM-HUUCEWRRSA-N	0	3	302.418	2.770	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1	ZINC000625704086	399618122	/nfs/dbraw/zinc/61/81/22/399618122.db2.gz	NOMKSNITLKXBKC-LBPRGKRZSA-N	0	3	303.793	2.746	20	30		DFEDHN
CCn1cc(CCN2CCC(Nc3ccccc3C#N)CC2)cn1	ZINC000602897150	399618198	/nfs/dbraw/zinc/61/81/98/399618198.db2.gz	UVJMGVDOBUABJT-UHFFFAOYSA-N	0	3	323.444	2.894	20	30		DFEDHN
CCOC(=O)CCCN1CCC(Nc2ccccc2C#N)CC1	ZINC000602896473	399618389	/nfs/dbraw/zinc/61/83/89/399618389.db2.gz	RGKJDNLSNJGKIH-UHFFFAOYSA-N	0	3	315.417	2.778	20	30		DFEDHN
C=CC[C@H]1CCN(CCC(=O)c2ccc3c(c2)OCCO3)C1	ZINC000625703122	399618600	/nfs/dbraw/zinc/61/86/00/399618600.db2.gz	QQOLSDIHZXXLNE-AWEZNQCLSA-N	0	3	301.386	2.929	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1	ZINC000625703251	399618334	/nfs/dbraw/zinc/61/83/34/399618334.db2.gz	JONVJWHWAIEKBX-OLZOCXBDSA-N	0	3	304.356	2.685	20	30		DFEDHN
C=CCC[C@@H](CC)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261290	399618747	/nfs/dbraw/zinc/61/87/47/399618747.db2.gz	NSJHIQYCMKQZDY-CYBMUJFWSA-N	0	3	304.390	2.731	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000288689133	335054819	/nfs/dbraw/zinc/05/48/19/335054819.db2.gz	UIHYYYHBOUDPAB-DOTOQJQBSA-N	0	3	319.449	2.952	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289690742	221156533	/nfs/dbraw/zinc/15/65/33/221156533.db2.gz	ICQYTEJMXTZVPK-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
COc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1C#N	ZINC000289807400	221240382	/nfs/dbraw/zinc/24/03/82/221240382.db2.gz	LJZHHAOHLRPYCD-AZUAARDMSA-N	0	3	322.408	2.823	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(Oc3ccccc3F)CC2)CC1	ZINC000602949066	399635964	/nfs/dbraw/zinc/63/59/64/399635964.db2.gz	UOROBKQIXQRRQI-AWEZNQCLSA-N	0	3	318.392	2.724	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1cccs1	ZINC000612494229	399662843	/nfs/dbraw/zinc/66/28/43/399662843.db2.gz	BJKSSSGVZWIQPM-ZFWWWQNUSA-N	0	3	316.426	2.905	20	30		DFEDHN
CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CCN(CC)C1	ZINC000603067154	399669707	/nfs/dbraw/zinc/66/97/07/399669707.db2.gz	SPONLYXAGCQLBZ-HNNXBMFYSA-N	0	3	304.369	2.645	20	30		DFEDHN
C[C@@H](CN(C)[C@@H]1CCC[C@@H]1C#N)CN(C)[C@H]1CCC[C@@H]1C#N	ZINC000602979492	399648515	/nfs/dbraw/zinc/64/85/15/399648515.db2.gz	DUGBODCHRFBNHG-HSFUPAIVSA-N	0	3	302.466	2.871	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCCN(c3ccncc3)CC2)c1	ZINC000603084593	399677366	/nfs/dbraw/zinc/67/73/66/399677366.db2.gz	URSXRLUJPQOANS-UHFFFAOYSA-N	0	3	320.396	2.500	20	30		DFEDHN
CN1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1ccccc1	ZINC000603128629	399689840	/nfs/dbraw/zinc/68/98/40/399689840.db2.gz	XZBUYLMVKSKIRF-IRXDYDNUSA-N	0	3	321.384	2.520	20	30		DFEDHN
CC(C)(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1	ZINC000603226958	399716103	/nfs/dbraw/zinc/71/61/03/399716103.db2.gz	ODMOYZUNWGKCAA-CQSZACIVSA-N	0	3	303.797	2.897	20	30		DFEDHN
N#Cc1cccc(Cn2cc(CNC3CCCCC3)nn2)c1F	ZINC000603234822	399718580	/nfs/dbraw/zinc/71/85/80/399718580.db2.gz	FAJOHQZNPCAHRV-UHFFFAOYSA-N	0	3	313.380	2.759	20	30		DFEDHN
N#CCN1CCC(NCc2nc3ccc(F)cc3s2)CC1	ZINC000617504552	399720301	/nfs/dbraw/zinc/72/03/01/399720301.db2.gz	HZMAOJNUEGULFB-UHFFFAOYSA-N	0	3	304.394	2.513	20	30		DFEDHN
CC(C)N1CC[C@@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603282329	399731300	/nfs/dbraw/zinc/73/13/00/399731300.db2.gz	ICIINXZSJZFECN-LLVKDONJSA-N	0	3	309.211	2.610	20	30		DFEDHN
CCN1CCC(N(C)c2cc(C#N)c(Br)cn2)CC1	ZINC000603270105	399728068	/nfs/dbraw/zinc/72/80/68/399728068.db2.gz	FSSJDFQBDCKCIP-UHFFFAOYSA-N	0	3	323.238	2.636	20	30		DFEDHN
COCCN1CCC(Nc2cccc(-n3cccc3)c2C#N)CC1	ZINC000603278396	399729237	/nfs/dbraw/zinc/72/92/37/399729237.db2.gz	HIEVVZMWJWZHNB-UHFFFAOYSA-N	0	3	324.428	2.872	20	30		DFEDHN
CSCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000121131111	195297238	/nfs/dbraw/zinc/29/72/38/195297238.db2.gz	RXSZFYSBEGYSHK-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1CSCCN1	ZINC000603418270	399772195	/nfs/dbraw/zinc/77/21/95/399772195.db2.gz	FHTQIXNXQOTMPL-LLVKDONJSA-N	0	3	318.833	2.877	20	30		DFEDHN
C=CCCCCCN1CCN(c2ccc(F)cc2C(N)=O)CC1	ZINC000621382194	399778216	/nfs/dbraw/zinc/77/82/16/399778216.db2.gz	MWDHQDUQRNWBEM-UHFFFAOYSA-N	0	3	319.424	2.793	20	30		DFEDHN
CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000198532876	542866589	/nfs/dbraw/zinc/86/65/89/542866589.db2.gz	SZEMLLBCOKKUMW-SFHVURJKSA-N	0	3	310.397	2.820	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000617914350	399830642	/nfs/dbraw/zinc/83/06/42/399830642.db2.gz	UPDMFWWCPOTXAK-DLBZAZTESA-N	0	3	322.412	2.888	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(OCC)c1	ZINC000289912065	335067090	/nfs/dbraw/zinc/06/70/90/335067090.db2.gz	RRCOMHSNSAHKCU-LBPRGKRZSA-N	0	3	319.323	2.663	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)CN(C)C1CC1	ZINC000290111368	335069181	/nfs/dbraw/zinc/06/91/81/335069181.db2.gz	XSMPYTPVKRXOSQ-ZDUSSCGKSA-N	0	3	314.882	2.845	20	30		DFEDHN
C#C[C@H](NCc1c(C)nn(CC(=O)OC(C)C)c1C)C(C)(C)C	ZINC000290129789	335069346	/nfs/dbraw/zinc/06/93/46/335069346.db2.gz	JMYOQOQDDSPIQC-INIZCTEOSA-N	0	3	319.449	2.589	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCC2([S@](C)=O)CCC2)cc1	ZINC000281021046	542990862	/nfs/dbraw/zinc/99/08/62/542990862.db2.gz	MHTVKLVYECCTLQ-SZNDQCEHSA-N	0	3	305.443	2.650	20	30		DFEDHN
C#Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292718811	543016221	/nfs/dbraw/zinc/01/62/21/543016221.db2.gz	FBDWEJMRUQAQTC-GOSISDBHSA-N	0	3	303.365	2.588	20	30		DFEDHN
C=CCOCCNC[C@H](O)COc1cc(Cl)ccc1Cl	ZINC000383609079	543298970	/nfs/dbraw/zinc/29/89/70/543298970.db2.gz	RJDMPIHCKGMHTM-LBPRGKRZSA-N	0	3	320.216	2.525	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000172556585	145306920	/nfs/dbraw/zinc/30/69/20/145306920.db2.gz	FWZDMKMOPJIWEC-KRWDZBQOSA-N	0	3	317.396	2.981	20	30		DFEDHN
COc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1C#N	ZINC000174344901	145376584	/nfs/dbraw/zinc/37/65/84/145376584.db2.gz	FAZJGAAEFBCQEA-MRXNPFEDSA-N	0	3	324.380	2.669	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000174508661	145382066	/nfs/dbraw/zinc/38/20/66/145382066.db2.gz	YHARJKDFAUQABL-JKSUJKDBSA-N	0	3	310.401	2.643	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)[C@H]2CCCCO2)CC1	ZINC000630943014	399951165	/nfs/dbraw/zinc/95/11/65/399951165.db2.gz	NPHQBILVSHBVGD-MRXNPFEDSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCC1(C(=O)N2CCC(N3CCCOCC3)CC2)CCCC1	ZINC000627742189	399959295	/nfs/dbraw/zinc/95/92/95/399959295.db2.gz	LZDUBIIOODBVIH-UHFFFAOYSA-N	0	3	320.477	2.836	20	30		DFEDHN
C=CCN1CCC(NCc2ccncc2Br)CC1	ZINC000631066029	399973025	/nfs/dbraw/zinc/97/30/25/399973025.db2.gz	ZGQSCMNDCCEFIE-UHFFFAOYSA-N	0	3	310.239	2.584	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(OC)cc(F)cc1OC	ZINC000631125516	399985424	/nfs/dbraw/zinc/98/54/24/399985424.db2.gz	FVBFHGOXASZFLD-PXAZEXFGSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN(C)CC2CN(C)C2)cc1OC	ZINC000628338461	400022628	/nfs/dbraw/zinc/02/26/28/400022628.db2.gz	KYZBWXUGFHRIJC-UHFFFAOYSA-N	0	3	324.852	2.907	20	30		DFEDHN
C=CCOc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1Cl	ZINC000628368692	400027195	/nfs/dbraw/zinc/02/71/95/400027195.db2.gz	SYRWVNKUTDMFKZ-AWEZNQCLSA-N	0	3	322.836	2.957	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(Br)ccc1F	ZINC000424091130	543342156	/nfs/dbraw/zinc/34/21/56/543342156.db2.gz	ZCUQTPWGJQAYJP-SNVBAGLBSA-N	0	3	314.158	2.548	20	30		DFEDHN
C[C@@H](CNCc1cc(C#N)n(C)c1)c1nc(-c2ccccc2)no1	ZINC000191497850	145893534	/nfs/dbraw/zinc/89/35/34/145893534.db2.gz	AXCLKEDFASDLNA-ZDUSSCGKSA-N	0	3	321.384	2.840	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CCN(CC2CC2)CC1	ZINC000228703833	146009540	/nfs/dbraw/zinc/00/95/40/146009540.db2.gz	YFLVTHKUFVDFBG-UHFFFAOYSA-N	0	3	320.234	2.853	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)o1	ZINC000246259913	146135396	/nfs/dbraw/zinc/13/53/96/146135396.db2.gz	UDPUFMQHGYSAJA-KBXCAEBGSA-N	0	3	310.401	2.546	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000250298996	146211688	/nfs/dbraw/zinc/21/16/88/146211688.db2.gz	KUDRNATUMXPQLF-GPMSIDNRSA-N	0	3	313.445	2.632	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C	ZINC000357680317	148081648	/nfs/dbraw/zinc/08/16/48/148081648.db2.gz	LZCHDCFQYUXSEV-MFKMUULPSA-N	0	3	306.797	2.816	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(c3ccccn3)CC2)c(F)c1	ZINC000358200512	148283993	/nfs/dbraw/zinc/28/39/93/148283993.db2.gz	ILRHNIYFZXEIPN-UHFFFAOYSA-N	0	3	310.376	2.851	20	30		DFEDHN
C[C@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F	ZINC000358561600	148386200	/nfs/dbraw/zinc/38/62/00/148386200.db2.gz	GQQBPODLZTVYTP-JTQLQIEISA-N	0	3	303.303	2.842	20	30		DFEDHN
C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000361349699	149093064	/nfs/dbraw/zinc/09/30/64/149093064.db2.gz	XGENSSFNPLOHIC-BKTGTZMESA-N	0	3	308.381	2.636	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(O[C@H]2CCOC2)CC1	ZINC000361436730	149115759	/nfs/dbraw/zinc/11/57/59/149115759.db2.gz	BGSSROBSIVKQMH-KDOFPFPSSA-N	0	3	300.402	2.889	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1	ZINC000361463118	149122011	/nfs/dbraw/zinc/12/20/11/149122011.db2.gz	NXLMWGVSWFYYHN-AWEZNQCLSA-N	0	3	324.359	2.921	20	30		DFEDHN
C[C@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(C#N)c1	ZINC000362032665	149280725	/nfs/dbraw/zinc/28/07/25/149280725.db2.gz	OYWVSPDKIMMONJ-KSSFIOAISA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1cnn(C2CCN(CCOc3cccc(C#N)c3)CC2)c1	ZINC000362687796	149342268	/nfs/dbraw/zinc/34/22/68/149342268.db2.gz	RXHRIGZSITZWFD-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1cccc(C#N)n1	ZINC000371310477	150020327	/nfs/dbraw/zinc/02/03/27/150020327.db2.gz	LDPUFAXBNFUFPT-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
N#Cc1ccc(Cl)cc1N1CCN(C2CCOCC2)CC1	ZINC000371820222	150100410	/nfs/dbraw/zinc/10/04/10/150100410.db2.gz	FYBADTFWDAQUSO-UHFFFAOYSA-N	0	3	305.809	2.513	20	30		DFEDHN
C[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)s1	ZINC000372515312	150178252	/nfs/dbraw/zinc/17/82/52/150178252.db2.gz	VANIKPBGGZVMNS-MJBXVCDLSA-N	0	3	305.447	2.524	20	30		DFEDHN
N#Cc1ccc(OCCN[C@@H]2c3ccccc3CC[C@@H]2CO)cc1	ZINC000373815216	150260815	/nfs/dbraw/zinc/26/08/15/150260815.db2.gz	MOLAJMIFNVTXJB-XLIONFOSSA-N	0	3	322.408	2.823	20	30		DFEDHN
Cc1nnc2n1C[C@H](N[C@H](C)c1ccc(C#N)cc1Cl)CC2	ZINC000373898712	150274566	/nfs/dbraw/zinc/27/45/66/150274566.db2.gz	QXQSDCCWYIHYNL-ZWNOBZJWSA-N	0	3	315.808	2.777	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000358581506	158391678	/nfs/dbraw/zinc/39/16/78/158391678.db2.gz	YMVWSGLRVFJIOO-CFVMTHIKSA-N	0	3	317.408	2.995	20	30		DFEDHN
C[C@@H](NCCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1F	ZINC000358590602	158392500	/nfs/dbraw/zinc/39/25/00/158392500.db2.gz	NXJKVGVJCJIKQS-GFCCVEGCSA-N	0	3	311.360	2.690	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000290245544	335070580	/nfs/dbraw/zinc/07/05/80/335070580.db2.gz	CGLJDCQKLOBUJA-LJQANCHMSA-N	0	3	310.441	2.687	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCCc2c3ccccc3[nH]c21	ZINC000290282792	335070846	/nfs/dbraw/zinc/07/08/46/335070846.db2.gz	MJHRMKQLHPMHAP-INIZCTEOSA-N	0	3	318.442	2.736	20	30		DFEDHN
N#Cc1cccc(CN2CCC(OC[C@H]3CCOC3)CC2)c1	ZINC000131807140	196201352	/nfs/dbraw/zinc/20/13/52/196201352.db2.gz	BOPGMPKAEGIWNX-KRWDZBQOSA-N	0	3	300.402	2.576	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)[nH]1	ZINC000133276963	196326601	/nfs/dbraw/zinc/32/66/01/196326601.db2.gz	GXARWCZCKAWAHL-UHFFFAOYSA-N	0	3	310.401	2.527	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1OC	ZINC000668555303	543826057	/nfs/dbraw/zinc/82/60/57/543826057.db2.gz	VYORNMBFMOPNBK-KBPBESRZSA-N	0	3	305.418	2.709	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(N3CCCC3)c2)CC1	ZINC000668369373	543798547	/nfs/dbraw/zinc/79/85/47/543798547.db2.gz	WHCQNWSLZLJYBI-UHFFFAOYSA-N	0	3	313.445	2.667	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](CN3CCCC3=O)C2)c1	ZINC000668716725	543852813	/nfs/dbraw/zinc/85/28/13/543852813.db2.gz	FOLCSUPIVFSBFI-KRWDZBQOSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]([C@H]3CNC(=O)C3)C2)cc1	ZINC000671442874	544072165	/nfs/dbraw/zinc/07/21/65/544072165.db2.gz	JPZMOOSQVGYFKF-DLBZAZTESA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](CC(N)=O)CC1	ZINC000671469267	544076683	/nfs/dbraw/zinc/07/66/83/544076683.db2.gz	FVGDEXLZUZUBFT-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
CCC#C[C@H](C)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000671700531	544098723	/nfs/dbraw/zinc/09/87/23/544098723.db2.gz	ZRAIJFYMCVCWDL-STQMWFEESA-N	0	3	304.356	2.569	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)OCC	ZINC000290611858	335076146	/nfs/dbraw/zinc/07/61/46/335076146.db2.gz	RUEMPMKLQTTYCF-IRXDYDNUSA-N	0	3	322.424	2.916	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)c1	ZINC000290609803	335076411	/nfs/dbraw/zinc/07/64/11/335076411.db2.gz	WLZFOVZNUWFIQU-QGZVFWFLSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCS(=O)(=O)CCNCCc1ccc(C(C)(C)C)cc1	ZINC000290961441	335077700	/nfs/dbraw/zinc/07/77/00/335077700.db2.gz	WISMLDBMIKEGID-UHFFFAOYSA-N	0	3	309.475	2.717	20	30		DFEDHN
C=C(CNC(=O)N[C@H](CC)CN1CCCC1)c1ccccc1	ZINC000672942434	544161489	/nfs/dbraw/zinc/16/14/89/544161489.db2.gz	HSXRAEMVBBVFRM-QGZVFWFLSA-N	0	3	301.434	2.873	20	30		DFEDHN
C=CCCOCC(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000673310949	544175277	/nfs/dbraw/zinc/17/52/77/544175277.db2.gz	GJWXZJXMLCFSBJ-UHFFFAOYSA-N	0	3	308.466	2.836	20	30		DFEDHN
CCC#C[C@H](C)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000677048192	544425485	/nfs/dbraw/zinc/42/54/85/544425485.db2.gz	PIVXNGOADLBUTE-JKSUJKDBSA-N	0	3	300.450	2.986	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC(C(C)C)C1)C(C)C	ZINC000677087149	544431752	/nfs/dbraw/zinc/43/17/52/544431752.db2.gz	VFLIFUVKYNDSGR-QGZVFWFLSA-N	0	3	307.482	2.982	20	30		DFEDHN
C=CCCOCC(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000677170108	544444161	/nfs/dbraw/zinc/44/41/61/544444161.db2.gz	OBQHHNNBYBHATH-UHFFFAOYSA-N	0	3	304.434	2.606	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000677479945	544495672	/nfs/dbraw/zinc/49/56/72/544495672.db2.gz	SBYVRJCOKYMNLG-HNNXBMFYSA-N	0	3	305.466	2.885	20	30		DFEDHN
C=C(CC)CN1CC[C@@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000678624856	544704088	/nfs/dbraw/zinc/70/40/88/544704088.db2.gz	RRLYVYIQBMXRNX-OAHLLOKOSA-N	0	3	305.422	2.626	20	30		DFEDHN
C=CCNC(=O)CNCc1ccc(N(C)c2ccccc2)cc1	ZINC000679028125	544771294	/nfs/dbraw/zinc/77/12/94/544771294.db2.gz	XIFGSRSSAGWSTK-UHFFFAOYSA-N	0	3	309.413	2.846	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H](CC)CN1CCCC1	ZINC000679381538	544845387	/nfs/dbraw/zinc/84/53/87/544845387.db2.gz	IUUWXBFKHRSHDF-MRXNPFEDSA-N	0	3	319.449	2.894	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301956524	230003403	/nfs/dbraw/zinc/00/34/03/230003403.db2.gz	KYGWAJOJLINUTB-HOCLYGCPSA-N	0	3	307.401	2.813	20	30		DFEDHN
N#Cc1ccc(NCC2CCN(Cc3cccs3)CC2)nn1	ZINC000301988316	230022491	/nfs/dbraw/zinc/02/24/91/230022491.db2.gz	LJKIUZGWOPHHHB-UHFFFAOYSA-N	0	3	313.430	2.734	20	30		DFEDHN
Cc1nnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)c1C	ZINC000302192097	230151502	/nfs/dbraw/zinc/15/15/02/230151502.db2.gz	ZMDLMBYZTOKYGA-ACJLOTCBSA-N	0	3	321.428	2.898	20	30		DFEDHN
C=CCOCCNCc1cnc2c(C)cc(Br)cn12	ZINC000680134164	544963267	/nfs/dbraw/zinc/96/32/67/544963267.db2.gz	YSJNGJRMIUEPNZ-UHFFFAOYSA-N	0	3	324.222	2.697	20	30		DFEDHN
C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000463157185	269845280	/nfs/dbraw/zinc/84/52/80/269845280.db2.gz	XGENSSFNPLOHIC-UPRAQXHNSA-N	0	3	308.381	2.636	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000068387667	425917473	/nfs/dbraw/zinc/91/74/73/425917473.db2.gz	GOSDGYMNKGFMPT-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(F)c1	ZINC000414555019	270000034	/nfs/dbraw/zinc/00/00/34/270000034.db2.gz	UAFNBXOVBUZLPZ-MJGOQNOKSA-N	0	3	323.371	2.807	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1F	ZINC000421386128	270000728	/nfs/dbraw/zinc/00/07/28/270000728.db2.gz	RILSLAIFTHNGHA-MJGOQNOKSA-N	0	3	323.371	2.807	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455729608	270001583	/nfs/dbraw/zinc/00/15/83/270001583.db2.gz	CNQNVJXVRZTRAT-UHFFFAOYSA-N	0	3	315.461	2.927	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)N(CCN2CCCC2)c2ccccc2)c1	ZINC000531123152	270002681	/nfs/dbraw/zinc/00/26/81/270002681.db2.gz	VEBVNNRUWYWYGI-UHFFFAOYSA-N	0	3	308.385	2.629	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)F)nc1)c1ccccn1	ZINC000156027110	425932428	/nfs/dbraw/zinc/93/24/28/425932428.db2.gz	ZZFCOXONEZHSMN-LLVKDONJSA-N	0	3	303.268	2.611	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000102955241	425932696	/nfs/dbraw/zinc/93/26/96/425932696.db2.gz	MRGWNQAJLRWYKS-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1	ZINC000344392449	265857871	/nfs/dbraw/zinc/85/78/71/265857871.db2.gz	QUFQLYBEHRZXPT-GDBMZVCRSA-N	0	3	317.408	2.870	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1sccc1C#N	ZINC000346305295	266125917	/nfs/dbraw/zinc/12/59/17/266125917.db2.gz	UEOJJVRKYSOKHD-UHFFFAOYSA-N	0	3	305.447	2.958	20	30		DFEDHN
CCN1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1	ZINC000352667611	266149303	/nfs/dbraw/zinc/14/93/03/266149303.db2.gz	LSTLXPNFQAGWSS-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCOCCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000353019953	266271461	/nfs/dbraw/zinc/27/14/61/266271461.db2.gz	HODDFNHZQLSAPZ-UHFFFAOYSA-N	0	3	306.381	2.967	20	30		DFEDHN
COc1cc(CN[C@@H]2COc3c(C)cccc3C2)ccc1C#N	ZINC000353154403	266829531	/nfs/dbraw/zinc/82/95/31/266829531.db2.gz	OQHZOPHKZRDZJM-KRWDZBQOSA-N	0	3	308.381	2.969	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)[nH]c1C	ZINC000448845129	267007335	/nfs/dbraw/zinc/00/73/35/267007335.db2.gz	OYMDHYHIGITDFP-OAHLLOKOSA-N	0	3	302.422	2.579	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(C#N)c1	ZINC000351505742	267144017	/nfs/dbraw/zinc/14/40/17/267144017.db2.gz	CNTQUDMKOVEAHV-CYBMUJFWSA-N	0	3	300.406	2.752	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000452032059	267146275	/nfs/dbraw/zinc/14/62/75/267146275.db2.gz	MTUCZBKWBVMIEF-KBRIMQKVSA-N	0	3	315.417	2.823	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000452031898	267146896	/nfs/dbraw/zinc/14/68/96/267146896.db2.gz	BOSPJKRPZRZITO-IAOVAPTHSA-N	0	3	315.417	2.823	20	30		DFEDHN
C[C@H](CCNCc1ccc(C#N)cc1C(F)(F)F)[S@](C)=O	ZINC000352822357	267151680	/nfs/dbraw/zinc/15/16/80/267151680.db2.gz	KBLIYMARBVIDRP-UZJPJQLHSA-N	0	3	318.364	2.824	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@@H]1SC	ZINC000459561383	267152734	/nfs/dbraw/zinc/15/27/34/267152734.db2.gz	LLUKFVFVNYXNHM-IMJJTQAJSA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)s1	ZINC000342393427	267155204	/nfs/dbraw/zinc/15/52/04/267155204.db2.gz	XNXLFNYMVXUAIC-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000177899121	267155557	/nfs/dbraw/zinc/15/55/57/267155557.db2.gz	BWPSINFBSGFVEH-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000352064908	267176979	/nfs/dbraw/zinc/17/69/79/267176979.db2.gz	DUXHNNZDNWFRTE-GUYCJALGSA-N	0	3	319.364	2.824	20	30		DFEDHN
CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)N(C)C	ZINC000413278890	267183389	/nfs/dbraw/zinc/18/33/89/267183389.db2.gz	ZWNZGEHAMNMNCC-KRWDZBQOSA-N	0	3	301.434	2.883	20	30		DFEDHN
C[C@H](O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000353025489	267189357	/nfs/dbraw/zinc/18/93/57/267189357.db2.gz	RSCOWGJMOPHZAN-ZDUSSCGKSA-N	0	3	306.381	2.702	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12	ZINC000348542281	267191936	/nfs/dbraw/zinc/19/19/36/267191936.db2.gz	BRGIOOHAOQLXTQ-HOCLYGCPSA-N	0	3	312.417	2.721	20	30		DFEDHN
CC[C@@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000422091374	267198590	/nfs/dbraw/zinc/19/85/90/267198590.db2.gz	WMBGIZSJIQDJSB-GOSISDBHSA-N	0	3	310.397	2.998	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000442674423	267202460	/nfs/dbraw/zinc/20/24/60/267202460.db2.gz	WIRUISYTQOIROA-SZVBFZGTSA-N	0	3	313.445	2.662	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1cccc(C#N)c1	ZINC000341101338	267214439	/nfs/dbraw/zinc/21/44/39/267214439.db2.gz	KWECCKWEIYXUBN-GJZGRUSLSA-N	0	3	314.433	2.620	20	30		DFEDHN
C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1	ZINC000345454897	267220006	/nfs/dbraw/zinc/22/00/06/267220006.db2.gz	PNEXQRRGGBQDJH-MAUKXSAKSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H]1CCSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280148183	267220081	/nfs/dbraw/zinc/22/00/81/267220081.db2.gz	WFSYOHPAIHRHHH-BBRMVZONSA-N	0	3	313.426	2.595	20	30		DFEDHN
CC[C@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccc(C#N)cc1	ZINC000447518500	267221755	/nfs/dbraw/zinc/22/17/55/267221755.db2.gz	WIFSKTFTHKDOSM-MOPGFXCFSA-N	0	3	315.461	2.956	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCCN1C	ZINC000344918832	267252746	/nfs/dbraw/zinc/25/27/46/267252746.db2.gz	PHTORDHMFZGBMU-IINYFYTJSA-N	0	3	306.797	2.816	20	30		DFEDHN
CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H]1CCCN(C)C1	ZINC000455747582	267271795	/nfs/dbraw/zinc/27/17/95/267271795.db2.gz	BGSVHMZMPCVLEH-QGZVFWFLSA-N	0	3	313.445	2.680	20	30		DFEDHN
Cc1cc(CNCc2cccc(N3CCOCC3)c2)ccc1C#N	ZINC000339420724	267326291	/nfs/dbraw/zinc/32/62/91/267326291.db2.gz	AHKYPYNQRMGBDL-UHFFFAOYSA-N	0	3	321.424	2.993	20	30		DFEDHN
CN(c1ccc(C(F)(F)F)c(C#N)n1)[C@@H]1CCN(C2CC2)C1	ZINC000443512447	267327652	/nfs/dbraw/zinc/32/76/52/267327652.db2.gz	UIROJGFTIDJRNP-LLVKDONJSA-N	0	3	310.323	2.645	20	30		DFEDHN
CN1C(=O)c2ccccc2[C@H]1CN[C@H]1CCc2ccc(C#N)cc21	ZINC000528004439	267330732	/nfs/dbraw/zinc/33/07/32/267330732.db2.gz	RIFZKAQYVNPNGD-RBUKOAKNSA-N	0	3	317.392	2.962	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000447802086	267333249	/nfs/dbraw/zinc/33/32/49/267333249.db2.gz	HCJPRXVRVJAIIF-OAHLLOKOSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1cc(N2CCN(CCc3ccccc3)CC2)cc(C#N)n1	ZINC000341454143	267339760	/nfs/dbraw/zinc/33/97/60/267339760.db2.gz	JNLXHIXFSMXZOA-UHFFFAOYSA-N	0	3	306.413	2.626	20	30		DFEDHN
CN1C[C@@H]2CCCN(c3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000425280646	267342415	/nfs/dbraw/zinc/34/24/15/267342415.db2.gz	HMNNWRXHZJRTKR-XHDPSFHLSA-N	0	3	320.234	2.851	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)cc(C#N)n1	ZINC000342511372	267346758	/nfs/dbraw/zinc/34/67/58/267346758.db2.gz	MVEZOQSJDLPVGQ-GJZGRUSLSA-N	0	3	302.422	2.563	20	30		DFEDHN
Cc1cc(NCCc2ccc(OCCN(C)C)cc2)cc(C#N)n1	ZINC000341990320	267347602	/nfs/dbraw/zinc/34/76/02/267347602.db2.gz	YALXVRYVBBOZRE-UHFFFAOYSA-N	0	3	324.428	2.857	20	30		DFEDHN
COC(=O)CCCN1CCC(Nc2cc(C)cc(C#N)c2)CC1	ZINC000449761424	267361659	/nfs/dbraw/zinc/36/16/59/267361659.db2.gz	XKAYSKFKJDYMLY-UHFFFAOYSA-N	0	3	315.417	2.696	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)c(F)c1)C2	ZINC000453363800	267649573	/nfs/dbraw/zinc/64/95/73/267649573.db2.gz	BZXWBAPBGWGPAV-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1	ZINC000450539278	267899375	/nfs/dbraw/zinc/89/93/75/267899375.db2.gz	JLAHPFRYJICNSX-WWGRRREGSA-N	0	3	314.389	2.633	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(C#N)c1	ZINC000026329626	425810125	/nfs/dbraw/zinc/81/01/25/425810125.db2.gz	XXKGERXLWJPCBI-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCN(c2ccncc2)CC1	ZINC000045054429	425859513	/nfs/dbraw/zinc/85/95/13/425859513.db2.gz	YEINJGBBZUGCCB-UHFFFAOYSA-N	0	3	323.396	2.609	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C2(C#N)CCCC2)cc1	ZINC000046722483	425866178	/nfs/dbraw/zinc/86/61/78/425866178.db2.gz	PWSCMGUTWSGSEE-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCC[C@H](C)C1	ZINC000047146953	425868339	/nfs/dbraw/zinc/86/83/39/425868339.db2.gz	DPSIZEUHKADBET-HNNXBMFYSA-N	0	3	302.418	2.713	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC23CCC(CC2)C3)cc1	ZINC000370485183	268084833	/nfs/dbraw/zinc/08/48/33/268084833.db2.gz	QKVPZIUYYFDICX-RMXPPQQLSA-N	0	3	307.397	2.937	20	30		DFEDHN
C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1CCCCCC1	ZINC000269624194	268189018	/nfs/dbraw/zinc/18/90/18/268189018.db2.gz	SABKPFQIRLRZFW-HNNXBMFYSA-N	0	3	311.429	2.928	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCCN1C1CC1	ZINC000432152154	268192193	/nfs/dbraw/zinc/19/21/93/268192193.db2.gz	INBSEBGFMIGJCN-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(Cl)c1	ZINC000439449466	268217177	/nfs/dbraw/zinc/21/71/77/268217177.db2.gz	IGFJMLZUPNAPBY-HOCLYGCPSA-N	0	3	317.820	2.702	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)cc1	ZINC000421017708	268224184	/nfs/dbraw/zinc/22/41/84/268224184.db2.gz	MHNNTDXKZBLHKI-IBGZPJMESA-N	0	3	310.372	2.877	20	30		DFEDHN
N#Cc1cccc(CCNCc2cnn(CC(F)(F)F)c2)c1	ZINC000341496113	268244887	/nfs/dbraw/zinc/24/48/87/268244887.db2.gz	YJFKLXWFGZGGLA-UHFFFAOYSA-N	0	3	308.307	2.649	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCC23CCCC3)cc1	ZINC000451460991	268250924	/nfs/dbraw/zinc/25/09/24/268250924.db2.gz	SKLUXDCPUWDOFN-INIZCTEOSA-N	0	3	318.442	2.644	20	30		DFEDHN
N#Cc1ccc([C@H](NCC[C@@H]2CCc3ccccc32)C(N)=O)cc1	ZINC000419209223	268263530	/nfs/dbraw/zinc/26/35/30/268263530.db2.gz	SOVXBMOSACTOMT-LPHOPBHVSA-N	0	3	319.408	2.794	20	30		DFEDHN
N#Cc1cnc2c(F)cc(F)cc2c1N1C[C@H]2CCC[C@@H](C1)N2	ZINC000515048688	268314821	/nfs/dbraw/zinc/31/48/21/268314821.db2.gz	PCRNSRZMELMBBP-BETUJISGSA-N	0	3	314.339	2.715	20	30		DFEDHN
Cc1cccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000298702420	268316824	/nfs/dbraw/zinc/31/68/24/268316824.db2.gz	FEROKXGIENDRNI-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1ccc2nnc(C)n2n1)C(C)C	ZINC000071964276	426006111	/nfs/dbraw/zinc/00/61/11/426006111.db2.gz	CFQRYKAASQKMDV-HNNXBMFYSA-N	0	3	314.437	2.543	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(OCCOC)CC2)c1	ZINC000124826276	425939974	/nfs/dbraw/zinc/93/99/74/425939974.db2.gz	DCLBKVARAQLWOW-UHFFFAOYSA-N	0	3	305.418	2.879	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NCCN1CCC(C)CC1	ZINC000069606925	425949210	/nfs/dbraw/zinc/94/92/10/425949210.db2.gz	KUCATBXIFNTOOI-UHFFFAOYSA-N	0	3	300.406	2.720	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCO1	ZINC000103480666	425950149	/nfs/dbraw/zinc/95/01/49/425950149.db2.gz	ZFYVMEGFXYCWJT-AWEZNQCLSA-N	0	3	321.808	2.651	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000159188270	425956256	/nfs/dbraw/zinc/95/62/56/425956256.db2.gz	VCJIVSOIARHAFH-OAHLLOKOSA-N	0	3	319.474	2.988	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1	ZINC000069806058	425957829	/nfs/dbraw/zinc/95/78/29/425957829.db2.gz	GHFZRBNZNPKBFD-ZDUSSCGKSA-N	0	3	323.458	2.590	20	30		DFEDHN
O=C1C[C@@H]([C@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CN1	ZINC000125198250	425958625	/nfs/dbraw/zinc/95/86/25/425958625.db2.gz	NCIYHZJWEZQJGO-NVXWUHKLSA-N	0	3	316.832	2.682	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1	ZINC000104423670	425964709	/nfs/dbraw/zinc/96/47/09/425964709.db2.gz	JDXVINJUZURYKE-IBGZPJMESA-N	0	3	310.441	2.989	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2cccc(OC)c2)CC1	ZINC000106037879	425970507	/nfs/dbraw/zinc/97/05/07/425970507.db2.gz	KKNLRRZFWYQJFX-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000106037967	425970978	/nfs/dbraw/zinc/97/09/78/425970978.db2.gz	KGMOFWIKVGKDQK-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2ccccc2)CC1	ZINC000106291044	425971326	/nfs/dbraw/zinc/97/13/26/425971326.db2.gz	LGRZMONVCORFCW-UHFFFAOYSA-N	0	3	324.428	2.847	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000125520116	425975920	/nfs/dbraw/zinc/97/59/20/425975920.db2.gz	YKLMYCNGHPYWFD-ABAIWWIYSA-N	0	3	304.369	2.548	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NC[C@H](O)Cc2ccccc2)C1	ZINC000126733901	426033735	/nfs/dbraw/zinc/03/37/35/426033735.db2.gz	TUSYXKSTQUBWTG-IOJLRTSASA-N	0	3	306.409	2.804	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000110355134	426033757	/nfs/dbraw/zinc/03/37/57/426033757.db2.gz	CULGHONMDHGACV-CVEARBPZSA-N	0	3	304.434	2.604	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1	ZINC000110570028	426033925	/nfs/dbraw/zinc/03/39/25/426033925.db2.gz	ICXVANDXSFCDHR-RTBURBONSA-N	0	3	310.441	2.784	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1ccnc(C2CC2)n1	ZINC000161942035	426045939	/nfs/dbraw/zinc/04/59/39/426045939.db2.gz	YBMNPZXBAUESFD-UHFFFAOYSA-N	0	3	321.428	2.794	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)[nH]1	ZINC000162049482	426050953	/nfs/dbraw/zinc/05/09/53/426050953.db2.gz	SACPFIBULDMFPG-QGZVFWFLSA-N	0	3	322.412	2.671	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NCCN1CCCCC1	ZINC000111787266	426058382	/nfs/dbraw/zinc/05/83/82/426058382.db2.gz	QMEGDSNKISDYTB-UHFFFAOYSA-N	0	3	317.433	2.537	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005647	426060568	/nfs/dbraw/zinc/06/05/68/426060568.db2.gz	ZXSVBIPETSOJMG-MRXNPFEDSA-N	0	3	315.417	2.999	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NCCNC(=O)c2ccccc2)C1	ZINC000126322947	426014751	/nfs/dbraw/zinc/01/47/51/426014751.db2.gz	WLPAVBXAYVLDDK-UHFFFAOYSA-N	0	3	319.408	2.630	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1	ZINC000108708979	426020697	/nfs/dbraw/zinc/02/06/97/426020697.db2.gz	VGKSDGWXOVTEKQ-UHFFFAOYSA-N	0	3	306.793	2.632	20	30		DFEDHN
CC1(C)CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163107286	426090021	/nfs/dbraw/zinc/09/00/21/426090021.db2.gz	WHWJIHQBKQHBJZ-HNNXBMFYSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@H](CSc2ccccc2)C1	ZINC000075964504	426091709	/nfs/dbraw/zinc/09/17/09/426091709.db2.gz	WSIHONHSFUYFDZ-GJZGRUSLSA-N	0	3	304.459	2.791	20	30		DFEDHN
C=C(C)CNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000163717796	426107111	/nfs/dbraw/zinc/10/71/11/426107111.db2.gz	BILXEMXYDNYAGI-UHFFFAOYSA-N	0	3	307.463	2.835	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C	ZINC000076389753	426110484	/nfs/dbraw/zinc/11/04/84/426110484.db2.gz	MRFVZUYDTGTQFD-OFQRWUPVSA-N	0	3	302.418	2.564	20	30		DFEDHN
CCN1CCN(c2ccccc2NCc2ccc(C#N)o2)CC1	ZINC000128312379	426112593	/nfs/dbraw/zinc/11/25/93/426112593.db2.gz	IPIQGNORBHZAOR-UHFFFAOYSA-N	0	3	310.401	2.905	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000128345166	426112979	/nfs/dbraw/zinc/11/29/79/426112979.db2.gz	IQHQRWAXIACMEP-WBVHZDCISA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000076734929	426116612	/nfs/dbraw/zinc/11/66/12/426116612.db2.gz	WPJSBZBYEZGBOS-UHFFFAOYSA-N	0	3	303.450	2.609	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000128586533	426123940	/nfs/dbraw/zinc/12/39/40/426123940.db2.gz	DBEWHTGWNLLJAC-HOTGVXAUSA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@]1(O)CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000129422283	426138739	/nfs/dbraw/zinc/13/87/39/426138739.db2.gz	FJPDFDYJJBVGJN-IBGZPJMESA-N	0	3	324.428	2.811	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC2CCN(CC(=C)C)CC2)s1	ZINC000128718634	426130693	/nfs/dbraw/zinc/13/06/93/426130693.db2.gz	JJTULGXUKDIJKP-UHFFFAOYSA-N	0	3	320.462	2.511	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000077499619	426137315	/nfs/dbraw/zinc/13/73/15/426137315.db2.gz	ZZIFKCSLAQWZGU-UHFFFAOYSA-N	0	3	304.369	2.551	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2C)CC1	ZINC000171640180	426201198	/nfs/dbraw/zinc/20/11/98/426201198.db2.gz	UYIVQZJZIHYWQJ-UHFFFAOYSA-N	0	3	303.406	2.776	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000134956943	426202563	/nfs/dbraw/zinc/20/25/63/426202563.db2.gz	OYAQYXPBARDDBS-GOSISDBHSA-N	0	3	304.434	2.846	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CSCC#N)[C@@H]1c1cccs1	ZINC000129965623	426143591	/nfs/dbraw/zinc/14/35/91/426143591.db2.gz	AFCJCZFIUFQHFS-SWLSCSKDSA-N	0	3	323.487	2.504	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)N(C)CCC#N)s1	ZINC000114733604	426144216	/nfs/dbraw/zinc/14/42/16/426144216.db2.gz	ZDZFVZLEUHHTFQ-UONOGXRCSA-N	0	3	305.447	2.954	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1	ZINC000130185108	426149903	/nfs/dbraw/zinc/14/99/03/426149903.db2.gz	YIUWAQADXZFACH-UHFFFAOYSA-N	0	3	306.413	2.661	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2)CC1	ZINC000171721030	426206294	/nfs/dbraw/zinc/20/62/94/426206294.db2.gz	MTQIEKKMLNYPHU-UHFFFAOYSA-N	0	3	320.408	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C(\C)c2ccccc2OC)CC1	ZINC000171715275	426206341	/nfs/dbraw/zinc/20/63/41/426206341.db2.gz	VFLUUMHVFUHEAK-CCEZHUSRSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCn2ccc3ccccc32)CC1	ZINC000171723501	426206402	/nfs/dbraw/zinc/20/64/02/426206402.db2.gz	SQTJZASGLYQPMB-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(N(C)CCC)cc2)CC1	ZINC000171716992	426206582	/nfs/dbraw/zinc/20/65/82/426206582.db2.gz	YPTGHOQYJALOOO-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)NCCCCC#N	ZINC000172582764	426228255	/nfs/dbraw/zinc/22/82/55/426228255.db2.gz	HQFYLQRUOWWBNK-UHFFFAOYSA-N	0	3	308.470	2.834	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C#N)cs2)o1	ZINC000084182437	426233964	/nfs/dbraw/zinc/23/39/64/426233964.db2.gz	IJYQCSNNTGOPLJ-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NCc3cncs3)C2)c(F)c1	ZINC000136099013	426234863	/nfs/dbraw/zinc/23/48/63/426234863.db2.gz	BPQMDWSKFGIFLP-CYBMUJFWSA-N	0	3	316.405	2.912	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CN2CCOCC2)C1	ZINC000118399555	426235321	/nfs/dbraw/zinc/23/53/21/426235321.db2.gz	QNFYTQZELNRAQF-FUHWJXTLSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](C)[C@H]2C)CC1	ZINC000118481710	426237664	/nfs/dbraw/zinc/23/76/64/426237664.db2.gz	FPFVHZNFJXXHFO-KGLIPLIRSA-N	0	3	311.495	2.562	20	30		DFEDHN
C=CCNc1ncc(C(=O)NCCN2CCCC[C@@H]2CC)s1	ZINC000136279114	426238555	/nfs/dbraw/zinc/23/85/55/426238555.db2.gz	UUDRSTMFIZEMEM-ZDUSSCGKSA-N	0	3	322.478	2.735	20	30		DFEDHN
COC[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000136633047	426243368	/nfs/dbraw/zinc/24/33/68/426243368.db2.gz	HJCHVOLAVULUND-BONVTDFDSA-N	0	3	321.808	2.553	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Sc2ccccn2)CC1	ZINC000084974676	426247383	/nfs/dbraw/zinc/24/73/83/426247383.db2.gz	PDLPDDYKQYTFBL-AWEZNQCLSA-N	0	3	319.474	2.719	20	30		DFEDHN
N#Cc1cc(NC(=O)N2CCC(N3CC=CC3)CC2)ccc1F	ZINC000136814060	426247323	/nfs/dbraw/zinc/24/73/23/426247323.db2.gz	XYFBNWRJORXJKO-UHFFFAOYSA-N	0	3	314.364	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)nc3ccccc32)CC1	ZINC000171725513	426208315	/nfs/dbraw/zinc/20/83/15/426208315.db2.gz	QTDZBAPNFNHBOS-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
COCCN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C	ZINC000135196393	426208669	/nfs/dbraw/zinc/20/86/69/426208669.db2.gz	RHTZMMUDRHDWQP-MRXNPFEDSA-N	0	3	315.461	2.640	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2SCCc3sccc32)CC1	ZINC000080079642	426211382	/nfs/dbraw/zinc/21/13/82/426211382.db2.gz	MIXRDNGLZPOUCV-HNNXBMFYSA-N	0	3	322.499	2.845	20	30		DFEDHN
CCC[C@H](C)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135330547	426214149	/nfs/dbraw/zinc/21/41/49/426214149.db2.gz	RFACIVIOACOZHX-JKSUJKDBSA-N	0	3	304.438	2.543	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)NCC1(c2cccs2)CCCCC1	ZINC000151843947	426315236	/nfs/dbraw/zinc/31/52/36/426315236.db2.gz	JSLYYFZJIVJGAI-CQSZACIVSA-N	0	3	304.459	2.678	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1	ZINC000175866072	426335908	/nfs/dbraw/zinc/33/59/08/426335908.db2.gz	QYPYSXOFWBPHGO-DMPWYTOCSA-N	0	3	320.458	2.736	20	30		DFEDHN
C[C@@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1n1ccnc1	ZINC000122872496	426399804	/nfs/dbraw/zinc/39/98/04/426399804.db2.gz	OZHJTAGDMIUYBV-WBVHZDCISA-N	0	3	310.401	2.717	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](C(=O)NCCC)C1	ZINC000092734055	426351195	/nfs/dbraw/zinc/35/11/95/426351195.db2.gz	AKUROAGMCFIJDM-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2CCCO)cc1OC	ZINC000092785084	426352231	/nfs/dbraw/zinc/35/22/31/426352231.db2.gz	KCWZRGDJXQQNDP-MRXNPFEDSA-N	0	3	305.418	2.997	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000093691342	426358586	/nfs/dbraw/zinc/35/85/86/426358586.db2.gz	SMFKXFWIYYXFGI-LJQANCHMSA-N	0	3	308.381	2.747	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)s1	ZINC000153963301	426415958	/nfs/dbraw/zinc/41/59/58/426415958.db2.gz	URDFQEDDJVEZBH-LLVKDONJSA-N	0	3	302.378	2.522	20	30		DFEDHN
CN(C)[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000123165991	426417920	/nfs/dbraw/zinc/41/79/20/426417920.db2.gz	IJDAEXYMRHGXDM-SFHVURJKSA-N	0	3	319.412	2.598	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)s2)C[C@@H](C)O1	ZINC000176943901	426427268	/nfs/dbraw/zinc/42/72/68/426427268.db2.gz	LGMIJBFSWXJPSU-CHWSQXEVSA-N	0	3	307.463	2.597	20	30		DFEDHN
Cn1cc(C[C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)cn1	ZINC000154223957	426431240	/nfs/dbraw/zinc/43/12/40/426431240.db2.gz	ZINFIYLTTRXHJB-MRXNPFEDSA-N	0	3	313.832	2.990	20	30		DFEDHN
C=CCNC(=O)CN(CCc1ccc(F)cc1)C1CCCC1	ZINC000123472376	426435774	/nfs/dbraw/zinc/43/57/74/426435774.db2.gz	QMIAOIZSEVGJHK-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000123643562	426444571	/nfs/dbraw/zinc/44/45/71/426444571.db2.gz	KJVMFNGIWAVOEN-QGZVFWFLSA-N	0	3	324.428	2.625	20	30		DFEDHN
C=CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000154861184	426458416	/nfs/dbraw/zinc/45/84/16/426458416.db2.gz	FEVGUXXXMISACW-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
CN1CCN(Cc2cccc(NCc3cccc(C#N)c3)c2)CC1	ZINC000123971086	426463005	/nfs/dbraw/zinc/46/30/05/426463005.db2.gz	ZIABUJYXBLQMKN-UHFFFAOYSA-N	0	3	320.440	2.918	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000177296818	426465134	/nfs/dbraw/zinc/46/51/34/426465134.db2.gz	VUIRFCOAVVHVFP-CGTJXYLNSA-N	0	3	309.413	2.505	20	30		DFEDHN
CC[C@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000177379386	426474118	/nfs/dbraw/zinc/47/41/18/426474118.db2.gz	RRGQNMLUWOLRPA-PKOBYXMFSA-N	0	3	313.445	2.885	20	30		DFEDHN
CC[C@H](CC#N)N[C@@H](C)CCCOc1ccccc1C(N)=O	ZINC000124262191	426477231	/nfs/dbraw/zinc/47/72/31/426477231.db2.gz	WFOGXQJODIMXTI-UONOGXRCSA-N	0	3	303.406	2.615	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](Cc2ccccc2)C1	ZINC000124303446	426479032	/nfs/dbraw/zinc/47/90/32/426479032.db2.gz	DTQQXDUBGQCKLX-SJLPKXTDSA-N	0	3	313.445	2.559	20	30		DFEDHN
N#Cc1csc(CNCCCNC(=O)c2cccc(F)c2)c1	ZINC000177698888	426508592	/nfs/dbraw/zinc/50/85/92/426508592.db2.gz	VGKWXWQHKZUJDD-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
CCCCCCCS(=O)(=O)N1CC[C@@H](CN2CCCC2)C1	ZINC000195292184	426511103	/nfs/dbraw/zinc/51/11/03/426511103.db2.gz	AHLYRCTVYBCJRE-INIZCTEOSA-N	0	3	316.511	2.704	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)C2(C#N)CCCC2)CCN1Cc1ccccc1	ZINC000288205996	426516805	/nfs/dbraw/zinc/51/68/05/426516805.db2.gz	MMFYRWKVDYHEKW-WBVHZDCISA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1	ZINC000272454676	426530466	/nfs/dbraw/zinc/53/04/66/426530466.db2.gz	QCEGZMTXVZPQIN-WMLDXEAASA-N	0	3	315.417	2.809	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1C#N	ZINC000177924762	426542061	/nfs/dbraw/zinc/54/20/61/426542061.db2.gz	PLKOIJKZWHUHMK-CABCVRRESA-N	0	3	316.380	2.788	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(C)s2)CC1	ZINC000264351967	426543105	/nfs/dbraw/zinc/54/31/05/426543105.db2.gz	DCSRUQXRHFSXJQ-UHFFFAOYSA-N	0	3	307.463	2.896	20	30		DFEDHN
C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000264399234	426547749	/nfs/dbraw/zinc/54/77/49/426547749.db2.gz	DQAHOLBWSXMDCD-UHFFFAOYSA-N	0	3	306.322	2.565	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCCc3ccccc3C2)cc1	ZINC000264430621	426550970	/nfs/dbraw/zinc/55/09/70/426550970.db2.gz	NYXWGUPUDYRGMY-LJQANCHMSA-N	0	3	322.408	2.746	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(C(=O)N2CCCC2)CC1	ZINC000186159342	426489661	/nfs/dbraw/zinc/48/96/61/426489661.db2.gz	DNOXGQXUWPLJRP-UHFFFAOYSA-N	0	3	311.429	2.701	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(N2CCCCC2=O)CC1	ZINC000186258420	426498204	/nfs/dbraw/zinc/49/82/04/426498204.db2.gz	WLBAZILBOCYGRW-UHFFFAOYSA-N	0	3	311.429	2.844	20	30		DFEDHN
Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)o1	ZINC000280045420	426503725	/nfs/dbraw/zinc/50/37/25/426503725.db2.gz	SKZUOTDPFNREJS-INIZCTEOSA-N	0	3	307.353	2.801	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](c1ccc(OC)cc1)C(C)C	ZINC000272805558	426572252	/nfs/dbraw/zinc/57/22/52/426572252.db2.gz	CDJQWBHDNQHJTN-MRXNPFEDSA-N	0	3	311.447	2.583	20	30		DFEDHN
CCN1CCCN(c2ccc(Br)cc2C#N)CC1	ZINC000272853427	426574632	/nfs/dbraw/zinc/57/46/32/426574632.db2.gz	PBQNNSZBTARKDO-UHFFFAOYSA-N	0	3	308.223	2.853	20	30		DFEDHN
COc1cccc([C@H](CNc2nccc(C)c2C#N)N(C)C)c1	ZINC000273087867	426591575	/nfs/dbraw/zinc/59/15/75/426591575.db2.gz	ZDYQKEAQQDFCQU-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
CSC1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000289196485	426601740	/nfs/dbraw/zinc/60/17/40/426601740.db2.gz	UXSIPVZYHXBZAK-UHFFFAOYSA-N	0	3	301.459	2.571	20	30		DFEDHN
COCC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccco1	ZINC000273203159	426615228	/nfs/dbraw/zinc/61/52/28/426615228.db2.gz	AFYINRWBGIQVHS-HOTGVXAUSA-N	0	3	300.358	2.552	20	30		DFEDHN
C=CCCCN(C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000265497403	426645549	/nfs/dbraw/zinc/64/55/49/426645549.db2.gz	CIMCEVRLKUPMEY-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
Cc1ccnc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000273370612	426651975	/nfs/dbraw/zinc/65/19/75/426651975.db2.gz	RSNDIOIWXIJYFE-HUUCEWRRSA-N	0	3	302.422	2.563	20	30		DFEDHN
C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000289428870	426654673	/nfs/dbraw/zinc/65/46/73/426654673.db2.gz	IVMSONGPKJWMFU-UGSOOPFHSA-N	0	3	317.408	2.948	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](COC)C1	ZINC000265768824	426686967	/nfs/dbraw/zinc/68/69/67/426686967.db2.gz	IJAXBCAYVMIXTE-LSDHHAIUSA-N	0	3	322.474	2.620	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000289678891	426670809	/nfs/dbraw/zinc/67/08/09/426670809.db2.gz	GTWGCFICUTWCRM-HHXXYDBFSA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000265723066	426679748	/nfs/dbraw/zinc/67/97/48/426679748.db2.gz	ZXLZETGQVGSBQA-OOPCZODUSA-N	0	3	312.200	2.792	20	30		DFEDHN
C[C@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1	ZINC000273242601	426624284	/nfs/dbraw/zinc/62/42/84/426624284.db2.gz	FXDLAGVQILYBLB-CVEARBPZSA-N	0	3	321.424	2.956	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)C1=O	ZINC000281134862	426702678	/nfs/dbraw/zinc/70/26/78/426702678.db2.gz	ABCKUQIBRHBJPI-HOCLYGCPSA-N	0	3	304.821	2.916	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc(OC(C)C)cc2)C1=O	ZINC000281207537	426705031	/nfs/dbraw/zinc/70/50/31/426705031.db2.gz	NOGSSNRWECGRAK-YOEHRIQHSA-N	0	3	302.418	2.911	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000281053055	426700874	/nfs/dbraw/zinc/70/08/74/426700874.db2.gz	RBOCSIYRYQMTBA-KZNAEPCWSA-N	0	3	320.477	2.593	20	30		DFEDHN
COc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1C#N	ZINC000281800718	426769009	/nfs/dbraw/zinc/76/90/09/426769009.db2.gz	VHHFMQDEKVEOEK-FQEVSTJZSA-N	0	3	322.408	2.881	20	30		DFEDHN
C=CC[C@@H](C(=O)NC1CCN(CCOC)CC1)c1ccccc1	ZINC000188621316	426771361	/nfs/dbraw/zinc/77/13/61/426771361.db2.gz	YTYNVBMFGLNBOB-GOSISDBHSA-N	0	3	316.445	2.573	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@H](C)c2cccc(C#N)c2)C1	ZINC000245965393	426786397	/nfs/dbraw/zinc/78/63/97/426786397.db2.gz	YWZHXPCWPREPDF-CRAIPNDOSA-N	0	3	301.434	2.566	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1CCN2CCC[C@@H]2C1	ZINC000266434252	426727110	/nfs/dbraw/zinc/72/71/10/426727110.db2.gz	USWLVSXCCDYVPE-OAHLLOKOSA-N	0	3	310.376	2.838	20	30		DFEDHN
C=CCCCN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000266505920	426727966	/nfs/dbraw/zinc/72/79/66/426727966.db2.gz	LJKPTJJJGAZSKQ-UHFFFAOYSA-N	0	3	315.461	2.693	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)ccc1C#N	ZINC000281606188	426728853	/nfs/dbraw/zinc/72/88/53/426728853.db2.gz	GFUFZXZMEMJGGF-KPZWWZAWSA-N	0	3	314.360	2.918	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)ccc1C#N	ZINC000281651929	426737491	/nfs/dbraw/zinc/73/74/91/426737491.db2.gz	JYDSLRATVRQRGX-SGTLLEGYSA-N	0	3	314.360	2.918	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)c(OC)c2)C1	ZINC000281740586	426755228	/nfs/dbraw/zinc/75/52/28/426755228.db2.gz	QJXKPWHPOVSSFL-DMPWYTOCSA-N	0	3	320.458	2.736	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H](c2ncccc2C)C1	ZINC000281774837	426762967	/nfs/dbraw/zinc/76/29/67/426762967.db2.gz	WZAJJTSBXUCEPK-CVEARBPZSA-N	0	3	322.474	2.607	20	30		DFEDHN
C[C@@H](CCN1CCN(C)CC1)Nc1ccc(C#N)c(Cl)c1	ZINC000274426487	426765100	/nfs/dbraw/zinc/76/51/00/426765100.db2.gz	DFHOAQQFFPJXKB-ZDUSSCGKSA-N	0	3	306.841	2.650	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000246437304	426833399	/nfs/dbraw/zinc/83/33/99/426833399.db2.gz	UIFNCETXBARFHU-JKSUJKDBSA-N	0	3	313.445	2.804	20	30		DFEDHN
COc1ccc([C@@H](CN2CCCC2)Nc2cnc(C#N)cn2)cc1	ZINC000274776474	426835086	/nfs/dbraw/zinc/83/50/86/426835086.db2.gz	VONIQPJQIBTUHZ-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000180136645	426838288	/nfs/dbraw/zinc/83/82/88/426838288.db2.gz	NRRDYUWGUFDIRG-WMZOPIPTSA-N	0	3	302.418	2.531	20	30		DFEDHN
CSCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180173777	426842169	/nfs/dbraw/zinc/84/21/69/426842169.db2.gz	BMNIAUGTPYPZPG-UHFFFAOYSA-N	0	3	300.431	2.754	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1OC	ZINC000189350804	426843290	/nfs/dbraw/zinc/84/32/90/426843290.db2.gz	WCEJLQPRZXJWSE-IAGOWNOFSA-N	0	3	305.418	2.899	20	30		DFEDHN
CCC[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)OC	ZINC000295180947	426850844	/nfs/dbraw/zinc/85/08/44/426850844.db2.gz	VROCYRFVRWCPJJ-KRWDZBQOSA-N	0	3	312.417	2.863	20	30		DFEDHN
CC1(C)OCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000295186549	426854440	/nfs/dbraw/zinc/85/44/40/426854440.db2.gz	IVUHMWYXKYZASG-CYBMUJFWSA-N	0	3	309.207	2.978	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1	ZINC000275096579	426859507	/nfs/dbraw/zinc/85/95/07/426859507.db2.gz	VSZKKOVHNHQITB-GOSISDBHSA-N	0	3	322.412	2.527	20	30		DFEDHN
CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000267529525	426881955	/nfs/dbraw/zinc/88/19/55/426881955.db2.gz	PSWLRDTZUQTBAY-SJORKVTESA-N	0	3	313.445	2.953	20	30		DFEDHN
COc1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)ccc1C#N	ZINC000282419968	426906271	/nfs/dbraw/zinc/90/62/71/426906271.db2.gz	SPODLGOXRFYUEC-SJLPKXTDSA-N	0	3	300.402	2.694	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CC[C@@](C)(c2ccccc2)C1	ZINC000275762692	426911945	/nfs/dbraw/zinc/91/19/45/426911945.db2.gz	TYDWAIUHYQZZLJ-DLBZAZTESA-N	0	3	307.459	2.687	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1	ZINC000247544393	426950399	/nfs/dbraw/zinc/95/03/99/426950399.db2.gz	YGBCJASUVFJXTF-RHSMWYFYSA-N	0	3	302.418	2.664	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(-n2ccnc2)c1	ZINC000189882839	426973175	/nfs/dbraw/zinc/97/31/75/426973175.db2.gz	IQTIEADZGILTCY-MRXNPFEDSA-N	0	3	324.428	2.724	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCC[C@@H]1CN1CCOCC1	ZINC000189907002	426978361	/nfs/dbraw/zinc/97/83/61/426978361.db2.gz	MLBFHFUFWVRNLB-QFBILLFUSA-N	0	3	313.445	2.806	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000276076358	426979322	/nfs/dbraw/zinc/97/93/22/426979322.db2.gz	KOFOWRQPCQNJAI-RDJZCZTQSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCCN(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000276084757	426982969	/nfs/dbraw/zinc/98/29/69/426982969.db2.gz	ORLJONZABGKQNU-UHFFFAOYSA-N	0	3	316.449	2.868	20	30		DFEDHN
COCC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C	ZINC000337837240	426992891	/nfs/dbraw/zinc/99/28/91/426992891.db2.gz	CTHPDTHYXZAZFE-CJNGLKHVSA-N	0	3	317.433	2.926	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000275848373	426934173	/nfs/dbraw/zinc/93/41/73/426934173.db2.gz	VWSQBIXIWHRJTJ-MJGOQNOKSA-N	0	3	318.461	2.943	20	30		DFEDHN
Cc1ccnc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c1C#N	ZINC000275882008	426940039	/nfs/dbraw/zinc/94/00/39/426940039.db2.gz	YTPBUAHCFPYEEK-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
Cc1cc(CNC(=O)[C@@H]2CCCN2C2CCCC2)nc(C)n1	ZINC000329150422	427056015	/nfs/dbraw/zinc/05/60/15/427056015.db2.gz	RPQILHPTIKJSMW-INIZCTEOSA-N	0	3	302.422	2.957	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1	ZINC000248890010	427059000	/nfs/dbraw/zinc/05/90/00/427059000.db2.gz	SOLWQDPLDRAYAX-NEWSRXKRSA-N	0	3	313.445	2.732	20	30		DFEDHN
CN1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@H]1c1ccccc1	ZINC000329184843	427060811	/nfs/dbraw/zinc/06/08/11/427060811.db2.gz	PVWHXZUELBQWES-LZLYRXPVSA-N	0	3	317.433	2.505	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN(C2CC2)C1	ZINC000295532935	426996830	/nfs/dbraw/zinc/99/68/30/426996830.db2.gz	JWWBPDQGUHAROG-RZIFZGNASA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248439853	427001884	/nfs/dbraw/zinc/00/18/84/427001884.db2.gz	UJZVNKGHPSQCFI-OLZOCXBDSA-N	0	3	317.355	2.866	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc(C)nc21	ZINC000328850163	427003834	/nfs/dbraw/zinc/00/38/34/427003834.db2.gz	WKPZZJOQXDRUJP-LSDHHAIUSA-N	0	3	304.438	2.900	20	30		DFEDHN
CCN1CCN(C[C@@H](C)CNc2cccc(Cl)c2C#N)CC1	ZINC000295556844	427005137	/nfs/dbraw/zinc/00/51/37/427005137.db2.gz	PYEHNLIBLKTHQQ-AWEZNQCLSA-N	0	3	320.868	2.897	20	30		DFEDHN
O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1F	ZINC000328903455	427010144	/nfs/dbraw/zinc/01/01/44/427010144.db2.gz	HXLWWOHRFHPFOG-BBRMVZONSA-N	0	3	305.353	2.901	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000328917545	427012522	/nfs/dbraw/zinc/01/25/22/427012522.db2.gz	RUNRPCRNIDBIOU-CHWSQXEVSA-N	0	3	305.426	2.506	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337914828	427034107	/nfs/dbraw/zinc/03/41/07/427034107.db2.gz	SQKOBABQAMVHKR-GJZGRUSLSA-N	0	3	305.470	2.754	20	30		DFEDHN
CCCn1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1C1CC1	ZINC000329065121	427036906	/nfs/dbraw/zinc/03/69/06/427036906.db2.gz	VXGIJVRVKXWFSH-BLLLJJGKSA-N	0	3	316.449	2.958	20	30		DFEDHN
CCn1cc([C@@H](C)NCCOc2ccc(C#N)cc2OC)cn1	ZINC000295992617	427038290	/nfs/dbraw/zinc/03/82/90/427038290.db2.gz	JZFLPWXTVOXNRI-CYBMUJFWSA-N	0	3	314.389	2.513	20	30		DFEDHN
C=CCCN(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1	ZINC000276352092	427041682	/nfs/dbraw/zinc/04/16/82/427041682.db2.gz	DNBRPQDLNJEKEK-UHFFFAOYSA-N	0	3	312.360	2.754	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000248838235	427051463	/nfs/dbraw/zinc/05/14/63/427051463.db2.gz	NJOJJKYJBZCRLQ-SJLPKXTDSA-N	0	3	316.445	2.606	20	30		DFEDHN
CC1(C)C[C@@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000329140072	427052759	/nfs/dbraw/zinc/05/27/59/427052759.db2.gz	JEYZVUVSMSJMDS-OAHLLOKOSA-N	0	3	316.449	2.848	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	ZINC000268618001	427067235	/nfs/dbraw/zinc/06/72/35/427067235.db2.gz	HUANHHIXOVWFLR-VQFGERMISA-N	0	3	300.446	2.645	20	30		DFEDHN
Cc1ccc(OCCN(C)C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000268615072	427067657	/nfs/dbraw/zinc/06/76/57/427067657.db2.gz	LVRLGHZMZMGVIN-IBGZPJMESA-N	0	3	310.397	2.911	20	30		DFEDHN
CO[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292052630	427071433	/nfs/dbraw/zinc/07/14/33/427071433.db2.gz	BIHNCQGSRSJZLE-ZWKOTPCHSA-N	0	3	323.396	2.794	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1	ZINC000329242263	427073445	/nfs/dbraw/zinc/07/34/45/427073445.db2.gz	OFIXURRPHCIJIX-ZBFHGGJFSA-N	0	3	319.453	2.583	20	30		DFEDHN
C[C@@H]1CC[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1	ZINC000276505803	427087017	/nfs/dbraw/zinc/08/70/17/427087017.db2.gz	TYPKCZFENBNIBT-KDOFPFPSSA-N	0	3	300.402	2.969	20	30		DFEDHN
CC(=O)N1CCC(CCC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1	ZINC000329348495	427095286	/nfs/dbraw/zinc/09/52/86/427095286.db2.gz	SEFGPNOCHLZQOP-AWEZNQCLSA-N	0	3	321.465	2.632	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cc3nc[nH]c3cc2F)C1	ZINC000329350561	427099168	/nfs/dbraw/zinc/09/91/68/427099168.db2.gz	DHQHOBHEYCEOGA-LLVKDONJSA-N	0	3	304.369	2.739	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cc3[nH]cnc3cc2F)C1	ZINC000329350561	427099173	/nfs/dbraw/zinc/09/91/73/427099173.db2.gz	DHQHOBHEYCEOGA-LLVKDONJSA-N	0	3	304.369	2.739	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2cnc3c(c2)CCCC3)CC1	ZINC000329491361	427129348	/nfs/dbraw/zinc/12/93/48/427129348.db2.gz	ZFTASCNXJSAPTQ-UHFFFAOYSA-N	0	3	300.406	2.548	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1nnc(C2CC2)n1C)N1CCCCC1	ZINC000329380776	427104440	/nfs/dbraw/zinc/10/44/40/427104440.db2.gz	PZFASNUZUFNRER-HNNXBMFYSA-N	0	3	319.453	2.660	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)CC(=O)N1	ZINC000329432072	427116242	/nfs/dbraw/zinc/11/62/42/427116242.db2.gz	KTNOXPITXHBEQZ-SYAUCNOPSA-N	0	3	315.417	2.796	20	30		DFEDHN
COc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292189791	427122818	/nfs/dbraw/zinc/12/28/18/427122818.db2.gz	NALDZMYZCCFVSU-KRWDZBQOSA-N	0	3	309.369	2.615	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)NC3CCCCC3)C2)[nH]1	ZINC000329481347	427124229	/nfs/dbraw/zinc/12/42/29/427124229.db2.gz	RDZDNRXEMBXURH-GXTWGEPZSA-N	0	3	319.453	2.970	20	30		DFEDHN
N#Cc1ccc(OCCN2CCOC[C@H](C3CCC3)C2)cc1	ZINC000292225765	427137047	/nfs/dbraw/zinc/13/70/47/427137047.db2.gz	VJLLOMLMSLDVFD-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190583662	427142197	/nfs/dbraw/zinc/14/21/97/427142197.db2.gz	OXIZBTMMIPZWPV-SJLPKXTDSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000251845031	427163820	/nfs/dbraw/zinc/16/38/20/427163820.db2.gz	ORYSDRHNICCEKQ-ZFWWWQNUSA-N	0	3	307.463	2.958	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000329803130	427172236	/nfs/dbraw/zinc/17/22/36/427172236.db2.gz	ZLEOQTXVWPZANB-UHFFFAOYSA-N	0	3	316.380	2.803	20	30		DFEDHN
CCCCCOc1ccc(CNCCn2cnc(C#N)n2)cc1	ZINC000285391436	427218015	/nfs/dbraw/zinc/21/80/15/427218015.db2.gz	DOSQWDOTDDVCOC-UHFFFAOYSA-N	0	3	313.405	2.509	20	30		DFEDHN
CC(C)CC(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1	ZINC000269426810	427195317	/nfs/dbraw/zinc/19/53/17/427195317.db2.gz	NZPKGMKUEZJXCR-UHFFFAOYSA-N	0	3	317.408	2.824	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N[C@@H]3C[C@H](C)N(C4CC4)C3)c2c1	ZINC000330183326	427202884	/nfs/dbraw/zinc/20/28/84/427202884.db2.gz	PVXPIHAPKGYPTE-DZGCQCFKSA-N	0	3	306.413	2.874	20	30		DFEDHN
Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000292895235	427204729	/nfs/dbraw/zinc/20/47/29/427204729.db2.gz	ZKJKPEOXRCTLDI-INIZCTEOSA-N	0	3	309.369	2.621	20	30		DFEDHN
Cc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-]	ZINC000292895235	427204735	/nfs/dbraw/zinc/20/47/35/427204735.db2.gz	ZKJKPEOXRCTLDI-INIZCTEOSA-N	0	3	309.369	2.621	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCC#Cc2cccc(F)c2)c1	ZINC000338238465	427206945	/nfs/dbraw/zinc/20/69/45/427206945.db2.gz	BJTFCSRUUCSWPL-UHFFFAOYSA-N	0	3	310.372	2.669	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000285395105	427221920	/nfs/dbraw/zinc/22/19/20/427221920.db2.gz	AQEYRVDLHYEZFH-ZDUSSCGKSA-N	0	3	305.809	2.816	20	30		DFEDHN
COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc(C)n1	ZINC000330378752	427225447	/nfs/dbraw/zinc/22/54/47/427225447.db2.gz	KHASHUYUPOLVAZ-GXTWGEPZSA-N	0	3	305.422	2.824	20	30		DFEDHN
CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000330423534	427235227	/nfs/dbraw/zinc/23/52/27/427235227.db2.gz	FCMULCDTSAKAGZ-VXGBXAGGSA-N	0	3	321.377	2.781	20	30		DFEDHN
COC(=O)CC1(NCc2cc(C#N)ccc2OC)CCCC1	ZINC000338332584	427264636	/nfs/dbraw/zinc/26/46/36/427264636.db2.gz	LLKUVCUAUWNTDN-UHFFFAOYSA-N	0	3	302.374	2.532	20	30		DFEDHN
CC(C)(C#N)CCN1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000338348851	427268979	/nfs/dbraw/zinc/26/89/79/427268979.db2.gz	KUVCYQOFERNOES-CQSZACIVSA-N	0	3	303.406	2.661	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000285564633	427274200	/nfs/dbraw/zinc/27/42/00/427274200.db2.gz	RXEVBZOXNOMWEJ-YPMHNXCESA-N	0	3	303.793	2.520	20	30		DFEDHN
CCOCC(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000293370786	427304719	/nfs/dbraw/zinc/30/47/19/427304719.db2.gz	VINKNPKTLWFCDO-UHFFFAOYSA-N	0	3	309.797	2.555	20	30		DFEDHN
Cc1ccc(F)c(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1	ZINC000330815736	427308871	/nfs/dbraw/zinc/30/88/71/427308871.db2.gz	OOORVKCMPGFWHX-CQSZACIVSA-N	0	3	308.397	2.532	20	30		DFEDHN
CCc1noc(C)c1NC(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000330879699	427309734	/nfs/dbraw/zinc/30/97/34/427309734.db2.gz	HRNBUZDAPWAYOH-LLVKDONJSA-N	0	3	308.426	2.753	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000277762518	427310864	/nfs/dbraw/zinc/31/08/64/427310864.db2.gz	SIINOYKJAJXUAU-YLJYHZDGSA-N	0	3	322.452	2.819	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330957421	427321050	/nfs/dbraw/zinc/32/10/50/427321050.db2.gz	IFDWFJFNKSDDEA-NSHDSACASA-N	0	3	324.356	2.553	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1cnn(C)c1SC	ZINC000331073805	427338587	/nfs/dbraw/zinc/33/85/87/427338587.db2.gz	GBQCOAFXAHESBP-GFCCVEGCSA-N	0	3	310.467	2.711	20	30		DFEDHN
C=CCCOCCN[C@H](CN1CCOCC1)c1ccccc1C	ZINC000183817096	427345545	/nfs/dbraw/zinc/34/55/45/427345545.db2.gz	LCORMRCXWTVHAB-LJQANCHMSA-N	0	3	318.461	2.551	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(N)=O)CN1CCC(=O)Nc1sccc1C#N	ZINC000330662842	427288343	/nfs/dbraw/zinc/28/83/43/427288343.db2.gz	DMUZSXIDAKKWKX-ZYHUDNBSSA-N	0	3	320.418	2.584	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)c2nc(C)cs2)CC1	ZINC000183545423	427290677	/nfs/dbraw/zinc/29/06/77/427290677.db2.gz	URIWUNUMEFPTNR-LBPRGKRZSA-N	0	3	322.478	2.505	20	30		DFEDHN
CC(C)c1cc(NC(=O)NCC(C)(C)N2CCCCC2)no1	ZINC000331256067	427382199	/nfs/dbraw/zinc/38/21/99/427382199.db2.gz	VZLWWSHPWSSDIQ-UHFFFAOYSA-N	0	3	308.426	3.388	20	30		DFEDHN
C=CCc1cc(CN2CCC(C)(CO)CC2)cc(OC)c1O	ZINC000184076657	427388333	/nfs/dbraw/zinc/38/83/33/427388333.db2.gz	CGVCCLKDSYYVGT-UHFFFAOYSA-N	0	3	305.418	2.724	20	30		DFEDHN
CC(C)c1ccc(C(=O)NC[C@@H]2CCCCN2CCO)c(O)c1	ZINC000331287905	427393180	/nfs/dbraw/zinc/39/31/80/427393180.db2.gz	ANNHDSBVGAUBEH-HNNXBMFYSA-N	0	3	320.433	2.667	20	30		DFEDHN
CCCCn1ncc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C	ZINC000331322145	427398301	/nfs/dbraw/zinc/39/83/01/427398301.db2.gz	MCAKRNLNZYFENG-ZFWWWQNUSA-N	0	3	321.469	2.952	20	30		DFEDHN
Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)c(Cl)c1	ZINC000331357436	427402204	/nfs/dbraw/zinc/40/22/04/427402204.db2.gz	TYIXTAVNRUGPGZ-ZDUSSCGKSA-N	0	3	310.825	2.800	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1	ZINC000297569977	427412803	/nfs/dbraw/zinc/41/28/03/427412803.db2.gz	SNEWFLBFVWYKKF-HOTGVXAUSA-N	0	3	317.433	2.717	20	30		DFEDHN
C=CCOCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000293733828	427415407	/nfs/dbraw/zinc/41/54/07/427415407.db2.gz	ZLJJKTDXMAHQHC-UHFFFAOYSA-N	0	3	304.365	2.743	20	30		DFEDHN
Cn1cc(CNCCOCc2ccc(Cl)cc2)cc1C#N	ZINC000191478490	427359628	/nfs/dbraw/zinc/35/96/28/427359628.db2.gz	VBOCLQRFWAQYIN-UHFFFAOYSA-N	0	3	303.793	2.857	20	30		DFEDHN
COc1ccc(CNCC2(CO)CCC2)cc1OCCCC#N	ZINC000184375129	427448650	/nfs/dbraw/zinc/44/86/50/427448650.db2.gz	FMBSTXJZARRIPU-UHFFFAOYSA-N	0	3	318.417	2.630	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(NCCN3CC=CCC3)c2c1	ZINC000338714357	427451116	/nfs/dbraw/zinc/45/11/16/427451116.db2.gz	YKOTTZDLRAWOTP-UHFFFAOYSA-N	0	3	306.413	2.819	20	30		DFEDHN
N#Cc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1F	ZINC000192081026	427478064	/nfs/dbraw/zinc/47/80/64/427478064.db2.gz	JMVFAPNPIDKDMI-UHFFFAOYSA-N	0	3	311.360	2.575	20	30		DFEDHN
COc1cc(OC)cc(C2(F)CCN(C(=O)C(C)C#N)CC2)c1	ZINC000338680717	427436349	/nfs/dbraw/zinc/43/63/49/427436349.db2.gz	OCKRDMGHOYGAMJ-GFCCVEGCSA-N	0	3	320.364	2.651	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)c[nH]1	ZINC000184587695	427495303	/nfs/dbraw/zinc/49/53/03/427495303.db2.gz	DBDWTXTWUFYZGX-GOSISDBHSA-N	0	3	324.428	2.773	20	30		DFEDHN
C=C(C)Cn1c(C)nnc1N1CCN(C2CCC(C)CC2)CC1	ZINC000338800553	427496803	/nfs/dbraw/zinc/49/68/03/427496803.db2.gz	NQPDGMCPYUSWHW-UHFFFAOYSA-N	0	3	317.481	2.863	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000286355800	427502376	/nfs/dbraw/zinc/50/23/76/427502376.db2.gz	MVJRGQOBEUZURQ-IUODEOHRSA-N	0	3	300.362	2.529	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@H](C)CC2)CC1	ZINC000192245845	427508925	/nfs/dbraw/zinc/50/89/25/427508925.db2.gz	JJDARDNITPLPGX-CQSZACIVSA-N	0	3	311.495	2.564	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)cc2F)C[C@@H](C)O1	ZINC000298094869	427519526	/nfs/dbraw/zinc/51/95/26/427519526.db2.gz	QNIAWLGOESBRNA-ZIAGYGMSSA-N	0	3	319.424	2.675	20	30		DFEDHN
Cn1cc(C#N)c(NC(=O)c2ccc(CN3CCCCC3)cc2)n1	ZINC000278986291	427524297	/nfs/dbraw/zinc/52/42/97/427524297.db2.gz	KLUQTETVXPXHKI-UHFFFAOYSA-N	0	3	323.400	2.530	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C	ZINC000298134127	427524663	/nfs/dbraw/zinc/52/46/63/427524663.db2.gz	YYTPHSHRJUHJDZ-ZWKOTPCHSA-N	0	3	313.445	2.560	20	30		DFEDHN
C[C@@]12CCN(CCC(=O)Nc3ccc(C#N)cc3)C[C@@H]1C2(F)F	ZINC000298205363	427534285	/nfs/dbraw/zinc/53/42/85/427534285.db2.gz	CVEPNJMYLCBQBX-GOEBONIOSA-N	0	3	319.355	2.864	20	30		DFEDHN
C=CCCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000279070816	427548367	/nfs/dbraw/zinc/54/83/67/427548367.db2.gz	AJPBYSNLERELTD-ZDUSSCGKSA-N	0	3	300.324	2.658	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1	ZINC000192136540	427489865	/nfs/dbraw/zinc/48/98/65/427489865.db2.gz	YXKGJSPOBWKDNZ-CQSZACIVSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=CCC[C@H](CCC)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F	ZINC000272077633	427624293	/nfs/dbraw/zinc/62/42/93/427624293.db2.gz	KJOONBIKEULUMH-JSGCOSHPSA-N	0	3	319.371	2.895	20	30		DFEDHN
CC1CCN(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000192833454	427622592	/nfs/dbraw/zinc/62/25/92/427622592.db2.gz	DAUYDXXTRGGCRW-UHFFFAOYSA-N	0	3	311.429	2.781	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CCc1cscn1)C(C)C	ZINC000263751773	427558130	/nfs/dbraw/zinc/55/81/30/427558130.db2.gz	OYVTYDLBVUJXKE-MRXNPFEDSA-N	0	3	321.490	2.891	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000192599941	427570282	/nfs/dbraw/zinc/57/02/82/427570282.db2.gz	GSDDVPOTYGQWDG-LPHOPBHVSA-N	0	3	306.409	2.698	20	30		DFEDHN
CC(C)[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000185006495	427577494	/nfs/dbraw/zinc/57/74/94/427577494.db2.gz	DXOUWVGDRXZDKU-QZTJIDSGSA-N	0	3	313.445	2.741	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)/C=C/c3ccccc3C#N)C2)C1	ZINC000294223381	427590626	/nfs/dbraw/zinc/59/06/26/427590626.db2.gz	RDUOMAUHLYETPB-UCFODXPJSA-N	0	3	309.413	2.516	20	30		DFEDHN
C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cccc(C#N)c1	ZINC000271912313	427595682	/nfs/dbraw/zinc/59/56/82/427595682.db2.gz	YDZSLHVGYHXWFW-OAHLLOKOSA-N	0	3	322.412	2.641	20	30		DFEDHN
C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000298513274	427635487	/nfs/dbraw/zinc/63/54/87/427635487.db2.gz	KTVVQPMSQYTNMJ-KUHUBIRLSA-N	0	3	319.408	2.982	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2COc3ccc(F)cc3C2)c(F)c1	ZINC000342413083	272006496	/nfs/dbraw/zinc/00/64/96/272006496.db2.gz	AFINCIJFUASLHA-OAHLLOKOSA-N	0	3	300.308	2.930	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000339010849	427625215	/nfs/dbraw/zinc/62/52/15/427625215.db2.gz	XGWKBDZUYQKJPA-LLVKDONJSA-N	0	3	316.327	2.538	20	30		DFEDHN
N#Cc1ccccc1CSCCNCc1cnc2cnccn12	ZINC000343066596	272081224	/nfs/dbraw/zinc/08/12/24/272081224.db2.gz	MKOLVFLLWBNABN-UHFFFAOYSA-N	0	3	323.425	2.624	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(C#N)s1	ZINC000295046981	427671818	/nfs/dbraw/zinc/67/18/18/427671818.db2.gz	FKCHMULTAOAGAX-WDNDVIMCSA-N	0	3	319.430	2.575	20	30		DFEDHN
COc1ccc([C@@H]2OCC[C@H]2NCc2cccc(C#N)c2)cn1	ZINC000343396023	272136591	/nfs/dbraw/zinc/13/65/91/272136591.db2.gz	HUBQFZPTONVTJM-AEFFLSMTSA-N	0	3	309.369	2.582	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCCCCC1	ZINC000193288367	427679518	/nfs/dbraw/zinc/67/95/18/427679518.db2.gz	VAWGOTCAWAKUGZ-UHFFFAOYSA-N	0	3	302.418	2.857	20	30		DFEDHN
C=CCCCNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000279839355	427721930	/nfs/dbraw/zinc/72/19/30/427721930.db2.gz	CSDKLNIKSJPURX-UHFFFAOYSA-N	0	3	315.461	2.959	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC1	ZINC000333994206	427722633	/nfs/dbraw/zinc/72/26/33/427722633.db2.gz	LUIOVYYRJODWRI-HOTGVXAUSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C2CCOCC2)C1	ZINC000339136218	427695590	/nfs/dbraw/zinc/69/55/90/427695590.db2.gz	ZWMRYDDSKFSHGJ-WBVHZDCISA-N	0	3	308.466	2.548	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCC[C@H]1O	ZINC000339138625	427697684	/nfs/dbraw/zinc/69/76/84/427697684.db2.gz	XADDJIPDWKTYIC-GXTWGEPZSA-N	0	3	310.344	2.752	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@@H]1CCC[C@H]1CCO	ZINC000287967441	427723660	/nfs/dbraw/zinc/72/36/60/427723660.db2.gz	ZCTLLIGPZDTQFR-XHDPSFHLSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@](C)(O)CC2)cc1OC	ZINC000279587488	427708600	/nfs/dbraw/zinc/70/86/00/427708600.db2.gz	CFKJJOVBMJJIDZ-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000295147742	427711544	/nfs/dbraw/zinc/71/15/44/427711544.db2.gz	CUYBMVMKRNOSON-HZMBPMFUSA-N	0	3	321.808	2.696	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1(O)CCCC1	ZINC000272337478	427715608	/nfs/dbraw/zinc/71/56/08/427715608.db2.gz	XVKGNYSVDSNVJW-UHFFFAOYSA-N	0	3	324.428	2.696	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCO[C@@H](CC)C1)C(C)C	ZINC000193859950	427720315	/nfs/dbraw/zinc/72/03/15/427720315.db2.gz	PMJOXKRRWGFMIX-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000336872333	427769161	/nfs/dbraw/zinc/76/91/61/427769161.db2.gz	LTRPOCNSGQUAJR-QGZVFWFLSA-N	0	3	314.429	2.976	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCN(CCC(C)(C)C)CC1)OCC	ZINC000339208143	427731177	/nfs/dbraw/zinc/73/11/77/427731177.db2.gz	CTVWVGQAIKLXAR-MRXNPFEDSA-N	0	3	310.482	2.938	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194143667	427732751	/nfs/dbraw/zinc/73/27/51/427732751.db2.gz	QFTOWEQWFLEFFC-QGZVFWFLSA-N	0	3	314.433	2.502	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194143682	427732854	/nfs/dbraw/zinc/73/28/54/427732854.db2.gz	QFTOWEQWFLEFFC-KRWDZBQOSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194425108	427742813	/nfs/dbraw/zinc/74/28/13/427742813.db2.gz	FOBHCYOFEMRALX-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC[C@@H]1CCCO1)c1ccccc1	ZINC000299079214	427748010	/nfs/dbraw/zinc/74/80/10/427748010.db2.gz	UALXQRTUCCYLBO-IRXDYDNUSA-N	0	3	302.418	2.579	20	30		DFEDHN
COCCN1CCC(Nc2cc(C#N)nc3ccccc32)CC1	ZINC000301377901	427792558	/nfs/dbraw/zinc/79/25/58/427792558.db2.gz	XDOPMWGGMUAPMB-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
CC[C@@H]1CN(c2cc(C#N)nc3ccccc32)CCN1CCOC	ZINC000301443796	427796283	/nfs/dbraw/zinc/79/62/83/427796283.db2.gz	YOYHKJDIFAPUNW-MRXNPFEDSA-N	0	3	324.428	2.653	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2cscc2C#N)c1	ZINC000339595986	427798058	/nfs/dbraw/zinc/79/80/58/427798058.db2.gz	BUNCCEPCAWBIDH-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@@H](C)N1C	ZINC000339621982	427801829	/nfs/dbraw/zinc/80/18/29/427801829.db2.gz	WPSDVXZRYMYDTP-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H](C)N1C	ZINC000339619369	427802060	/nfs/dbraw/zinc/80/20/60/427802060.db2.gz	MJRAIHZQMKFEQU-RYUDHWBXSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H](C)N1C	ZINC000339617813	427802462	/nfs/dbraw/zinc/80/24/62/427802462.db2.gz	YNRDFFLSEAVWCO-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H](OCC)C2(CC)CC)C1=O	ZINC000337156193	427807342	/nfs/dbraw/zinc/80/73/42/427807342.db2.gz	ABXRTFMQEYQDAT-ARFHVFGLSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C1=O	ZINC000337173788	427809590	/nfs/dbraw/zinc/80/95/90/427809590.db2.gz	GNTZUFGTLBBIFE-BPQIPLTHSA-N	0	3	314.429	2.531	20	30		DFEDHN
CCc1nnc(NCCN2CCC(C)CC2)c(C#N)c1CC	ZINC000301618883	427809673	/nfs/dbraw/zinc/80/96/73/427809673.db2.gz	LITPVOUUZCWGIN-UHFFFAOYSA-N	0	3	301.438	2.617	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)c1ncc(Cl)cn1	ZINC000301665194	427814473	/nfs/dbraw/zinc/81/44/73/427814473.db2.gz	WHDVSFOZZKGSIZ-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
CC(C)[C@@]1(CO)CCCN(CCOc2ccccc2C#N)C1	ZINC000339712599	427817017	/nfs/dbraw/zinc/81/70/17/427817017.db2.gz	WVNQEEFMHBPPIP-SFHVURJKSA-N	0	3	302.418	2.668	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCCC[C@H]1Cc1ccccc1	ZINC000339724692	427818315	/nfs/dbraw/zinc/81/83/15/427818315.db2.gz	DQDNQKADZSYLQP-SFHVURJKSA-N	0	3	313.445	2.846	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000359452087	427858180	/nfs/dbraw/zinc/85/81/80/427858180.db2.gz	HGCGCQCPZBVALG-KBXCAEBGSA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1ccc(NC(=O)NCC(C)(C)C#N)c(OCCN(C)C)c1	ZINC000349665938	427839641	/nfs/dbraw/zinc/83/96/41/427839641.db2.gz	YOSSTPHHEVOIIW-UHFFFAOYSA-N	0	3	318.421	2.607	20	30		DFEDHN
COc1ccccc1[C@@H](CNc1ccc(C#N)nn1)N1CCCC1	ZINC000301917095	427840437	/nfs/dbraw/zinc/84/04/37/427840437.db2.gz	JFXCVYXBPDQDPD-MRXNPFEDSA-N	0	3	323.400	2.606	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1Cl	ZINC000355667870	427842748	/nfs/dbraw/zinc/84/27/48/427842748.db2.gz	DZZORLRHTGTDEF-INIZCTEOSA-N	0	3	308.809	2.602	20	30		DFEDHN
COc1cccc([C@H](CNc2ccc(C#N)nn2)N2CCCC2)c1	ZINC000301933555	427843793	/nfs/dbraw/zinc/84/37/93/427843793.db2.gz	PSYBCIZPQFGOGT-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(C#N)cc1	ZINC000337356524	427861801	/nfs/dbraw/zinc/86/18/01/427861801.db2.gz	BQLNEFDPWSOMAZ-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
Cc1ccc(NCC2CCN(c3ccncc3)CC2)nc1C#N	ZINC000302767879	427867511	/nfs/dbraw/zinc/86/75/11/427867511.db2.gz	MBXHEFLAOWPWSI-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
COCCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1	ZINC000337373738	427871878	/nfs/dbraw/zinc/87/18/78/427871878.db2.gz	ACYFPGIGLDWXQN-GOSISDBHSA-N	0	3	310.401	2.568	20	30		DFEDHN
CC(C)[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000337383114	427877751	/nfs/dbraw/zinc/87/77/51/427877751.db2.gz	DVKGMBZXIDXKPV-CJNGLKHVSA-N	0	3	305.397	2.873	20	30		DFEDHN
CC(C)OCC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000349851451	427881002	/nfs/dbraw/zinc/88/10/02/427881002.db2.gz	HLFSSSJVSUHMEY-LJQANCHMSA-N	0	3	314.429	2.823	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000355784280	427892997	/nfs/dbraw/zinc/89/29/97/427892997.db2.gz	IVMKPTKKVRVPBH-LBPRGKRZSA-N	0	3	303.366	2.538	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3cc(C)ccc3n2)CC1	ZINC000339997989	427900276	/nfs/dbraw/zinc/90/02/76/427900276.db2.gz	CBDVVYAIXXKXCA-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCOc2c(Br)cccc21	ZINC000337571556	427963790	/nfs/dbraw/zinc/96/37/90/427963790.db2.gz	ZJDYGXITUNNLKJ-LDYMZIIASA-N	0	3	309.163	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C(F)(F)F)C(C)C	ZINC000350734895	427968680	/nfs/dbraw/zinc/96/86/80/427968680.db2.gz	CHIZXXAUFMFZDU-STQMWFEESA-N	0	3	321.387	2.935	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)c1cc(C)c([N+](=O)[O-])cc1C#N	ZINC000413184040	427983898	/nfs/dbraw/zinc/98/38/98/427983898.db2.gz	NARXLBGWVKWRNC-AWEZNQCLSA-N	0	3	302.378	2.695	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNc2ccnc(C#N)c2)N(C)C)cc1	ZINC000340889174	427942546	/nfs/dbraw/zinc/94/25/46/427942546.db2.gz	YFBAWFDVOIZOMT-LJQANCHMSA-N	0	3	324.428	2.877	20	30		DFEDHN
CC(C#N)C(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1	ZINC000359644103	427952211	/nfs/dbraw/zinc/95/22/11/427952211.db2.gz	DBPOUWMWSOCHNQ-NSHDSACASA-N	0	3	324.783	2.847	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000359814737	428028269	/nfs/dbraw/zinc/02/82/69/428028269.db2.gz	YUFJPDZVRSYYLK-QGZVFWFLSA-N	0	3	311.360	2.730	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(Br)cc1F	ZINC000341256497	428029580	/nfs/dbraw/zinc/02/95/80/428029580.db2.gz	IZOJDSQLKXHPAJ-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(OC)c(OC)cc1SC	ZINC000341320704	428034002	/nfs/dbraw/zinc/03/40/02/428034002.db2.gz	ZVNZGOVZOVZMPA-LBPRGKRZSA-N	0	3	311.447	2.700	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(Br)ccc1OC	ZINC000341271735	428034024	/nfs/dbraw/zinc/03/40/24/428034024.db2.gz	VWSYYBVYTJDJCN-LLVKDONJSA-N	0	3	314.223	2.732	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369705613	428038731	/nfs/dbraw/zinc/03/87/31/428038731.db2.gz	ZOPYJXDWRRSVRW-ZWKOTPCHSA-N	0	3	323.396	2.807	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000346156240	428040348	/nfs/dbraw/zinc/04/03/48/428040348.db2.gz	JMLDLDHKRRQIIE-SUNYJGFJSA-N	0	3	311.429	2.669	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC2(CCC2)C[C@@H]1C	ZINC000369730382	428047346	/nfs/dbraw/zinc/04/73/46/428047346.db2.gz	FEEFJOOIJFSAPU-LSDHHAIUSA-N	0	3	303.450	2.982	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC1CCN(Cc2cccc(C)c2)CC1	ZINC000369753277	428053617	/nfs/dbraw/zinc/05/36/17/428053617.db2.gz	OIIONCNVUNIAKA-MRXNPFEDSA-N	0	3	313.445	2.670	20	30		DFEDHN
C[C@H](Cn1ccnc1)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356179932	428054942	/nfs/dbraw/zinc/05/49/42/428054942.db2.gz	XUTLYDSGRQTKIH-LLVKDONJSA-N	0	3	308.307	2.952	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC(C)(C)OCC2CC2)CC1	ZINC000413237502	427998896	/nfs/dbraw/zinc/99/88/96/427998896.db2.gz	LAAXBMSWRSBGTK-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
CN(CCCn1ccnc1)Cc1ccc(C#N)cc1OC(F)F	ZINC000341132366	428001334	/nfs/dbraw/zinc/00/13/34/428001334.db2.gz	FFKDWKAFFLTEAY-UHFFFAOYSA-N	0	3	320.343	2.878	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C1CC1	ZINC000413262637	428006029	/nfs/dbraw/zinc/00/60/29/428006029.db2.gz	HJJRLUNTAKVEDJ-INIZCTEOSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000341189556	428006614	/nfs/dbraw/zinc/00/66/14/428006614.db2.gz	DIDCRQUVNNUIOF-UKRRQHHQSA-N	0	3	303.406	2.856	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000341190866	428009565	/nfs/dbraw/zinc/00/95/65/428009565.db2.gz	FLWKYBZXSUAQTQ-UONOGXRCSA-N	0	3	307.463	2.928	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)C1	ZINC000356221372	428074623	/nfs/dbraw/zinc/07/46/23/428074623.db2.gz	BMFANAPKSDWZNF-IBGZPJMESA-N	0	3	323.440	2.534	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1OC	ZINC000346326465	428127332	/nfs/dbraw/zinc/12/73/32/428127332.db2.gz	IABXTCNFEZBPRJ-ULQDDVLXSA-N	0	3	317.429	2.853	20	30		DFEDHN
N#CC(C(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cn1	ZINC000359919786	428076808	/nfs/dbraw/zinc/07/68/08/428076808.db2.gz	WLDBUHLRBDYIGQ-JTQLQIEISA-N	0	3	316.704	2.889	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000369947147	428096251	/nfs/dbraw/zinc/09/62/51/428096251.db2.gz	VSQBEMMXAUEFMI-NVXWUHKLSA-N	0	3	301.434	2.724	20	30		DFEDHN
Cc1noc([C@@H]2CCN(CCCOc3cccc(C#N)c3)C2)n1	ZINC000346281707	428106132	/nfs/dbraw/zinc/10/61/32/428106132.db2.gz	XUOSUBCJPAEMMT-OAHLLOKOSA-N	0	3	312.373	2.508	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000370012462	428111178	/nfs/dbraw/zinc/11/11/78/428111178.db2.gz	XCVLHVYTOMCTCI-ULQDDVLXSA-N	0	3	316.449	2.728	20	30		DFEDHN
CN(C)CCN(Cc1nc(C#N)cs1)Cc1ccccc1F	ZINC000356303354	428116333	/nfs/dbraw/zinc/11/63/33/428116333.db2.gz	NYSIVOYXOMYMSI-UHFFFAOYSA-N	0	3	318.421	2.718	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000341449122	428067401	/nfs/dbraw/zinc/06/74/01/428067401.db2.gz	GGUKFGCQVRTDBS-CQSZACIVSA-N	0	3	317.433	2.533	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCCOC1	ZINC000352230398	428131204	/nfs/dbraw/zinc/13/12/04/428131204.db2.gz	JUUSPGGUTHCOGT-KRWDZBQOSA-N	0	3	310.401	2.570	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@]3(CCCCO3)C2)cc1	ZINC000370093818	428132696	/nfs/dbraw/zinc/13/26/96/428132696.db2.gz	KSGYKIWKWRMNKP-GOSISDBHSA-N	0	3	300.402	2.972	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N[C@@H](C)c3cccc(C#N)c3)C2)nn1	ZINC000360063655	428138287	/nfs/dbraw/zinc/13/82/87/428138287.db2.gz	ZWLICVYSLYYXKR-YJBOKZPZSA-N	0	3	321.428	2.976	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@@H]2CN1c1nc(C)c(C#N)cc1Cl	ZINC000360081549	428151918	/nfs/dbraw/zinc/15/19/18/428151918.db2.gz	GIRBTQOXSNDTIQ-ZIAGYGMSSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)C(C)C	ZINC000370155630	428146395	/nfs/dbraw/zinc/14/63/95/428146395.db2.gz	HYFKWEGLZDKQAY-IRXDYDNUSA-N	0	3	320.477	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CC1	ZINC000370332921	428184987	/nfs/dbraw/zinc/18/49/87/428184987.db2.gz	JCKFHNDUVJRYOI-MAUKXSAKSA-N	0	3	305.466	2.859	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)c1cc(C#N)ccc1Cl	ZINC000352632340	428175613	/nfs/dbraw/zinc/17/56/13/428175613.db2.gz	BDBLRQKOCCXGRH-UHFFFAOYSA-N	0	3	307.825	2.871	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1cccc(F)c1C#N	ZINC000377741158	428214505	/nfs/dbraw/zinc/21/45/05/428214505.db2.gz	LYPZOBREASSRMC-CKEIUWERSA-N	0	3	317.408	2.999	20	30		DFEDHN
C[C@H](NCC(C)(C)CC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000414172459	428223858	/nfs/dbraw/zinc/22/38/58/428223858.db2.gz	VZTRRQBSGGWVJA-ZDUSSCGKSA-N	0	3	323.462	2.527	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCCN(C3CCCC3)CC2)ccc1F	ZINC000377812931	428235619	/nfs/dbraw/zinc/23/56/19/428235619.db2.gz	BHUWLHOICHDBIJ-UHFFFAOYSA-N	0	3	315.392	2.788	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CCN(C)C	ZINC000341784382	428197372	/nfs/dbraw/zinc/19/73/72/428197372.db2.gz	OUXQQAGJCXHPPC-UHFFFAOYSA-N	0	3	301.415	2.715	20	30		DFEDHN
CCc1ccc([C@@H](CNCc2nc(C#N)cs2)N(C)C)cc1	ZINC000352825015	428265272	/nfs/dbraw/zinc/26/52/72/428265272.db2.gz	SHXIKBNPDWJFPO-MRXNPFEDSA-N	0	3	314.458	2.970	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000360399196	428283664	/nfs/dbraw/zinc/28/36/64/428283664.db2.gz	BIBOMZUKTOJBAL-PKOBYXMFSA-N	0	3	316.445	2.703	20	30		DFEDHN
Cn1ccnc1[C@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000370725615	428285087	/nfs/dbraw/zinc/28/50/87/428285087.db2.gz	ULWWFBLBLJVWBL-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CCC1	ZINC000370636785	428259105	/nfs/dbraw/zinc/25/91/05/428259105.db2.gz	USOKONBRCCXXEO-BRWVUGGUSA-N	0	3	320.477	2.738	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000377904891	428259179	/nfs/dbraw/zinc/25/91/79/428259179.db2.gz	HLKUMDDAOKNKJE-QGZVFWFLSA-N	0	3	321.371	2.526	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1	ZINC000414321694	428259477	/nfs/dbraw/zinc/25/94/77/428259477.db2.gz	UJICHWYUSUPZEL-XNRPHZJLSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000342168715	428333180	/nfs/dbraw/zinc/33/31/80/428333180.db2.gz	QHUICJTTZPOCMM-XJKSGUPXSA-N	0	3	319.474	2.928	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)Cc1c(F)cccc1C#N	ZINC000342187522	428341901	/nfs/dbraw/zinc/34/19/01/428341901.db2.gz	AWHXFQHMOCEMEO-UHFFFAOYSA-N	0	3	317.408	2.574	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnn2ccccc12	ZINC000342197248	428346599	/nfs/dbraw/zinc/34/65/99/428346599.db2.gz	TWVXRXRURQHBRY-INIZCTEOSA-N	0	3	318.380	2.723	20	30		DFEDHN
CC1(CN2CCC(Oc3ccc(C#N)cc3F)CC2)COC1	ZINC000353021818	428354854	/nfs/dbraw/zinc/35/48/54/428354854.db2.gz	DAAXAXILYBZZFC-UHFFFAOYSA-N	0	3	304.365	2.577	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000346967648	428388122	/nfs/dbraw/zinc/38/81/22/428388122.db2.gz	NQQQZVWZTCRXNC-MRXNPFEDSA-N	0	3	304.434	2.777	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCCSCC#N)c1cccc(F)c1	ZINC000353140967	428399506	/nfs/dbraw/zinc/39/95/06/428399506.db2.gz	BVVVJVIBGAHTMG-MRXNPFEDSA-N	0	3	324.421	2.840	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)Cc2ccc(OC)cc2)CC1	ZINC000371721246	428401527	/nfs/dbraw/zinc/40/15/27/428401527.db2.gz	KVRYHGOWKROHGW-UHFFFAOYSA-N	0	3	316.445	2.738	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@@H](O)c3ccccc3C2)cc1	ZINC000371829139	428407484	/nfs/dbraw/zinc/40/74/84/428407484.db2.gz	QPNQKEFHHZWZBT-MOPGFXCFSA-N	0	3	308.381	2.531	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1	ZINC000347030666	428412518	/nfs/dbraw/zinc/41/25/18/428412518.db2.gz	CISYKWMDNZKSLV-GWCFXTLKSA-N	0	3	323.190	2.509	20	30		DFEDHN
C#CCOc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1	ZINC000371085548	428356921	/nfs/dbraw/zinc/35/69/21/428356921.db2.gz	GNWOFQPCAJRYJO-FQEVSTJZSA-N	0	3	306.409	2.975	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC(Cc3cccc(F)c3)C2)cc1	ZINC000378321570	428362321	/nfs/dbraw/zinc/36/23/21/428362321.db2.gz	AVQRZCJWRJWSPJ-LJQANCHMSA-N	0	3	310.372	2.905	20	30		DFEDHN
Cc1nc(CN2CCCN(CCC(C)(C)C#N)CC2)oc1C	ZINC000371205833	428377309	/nfs/dbraw/zinc/37/73/09/428377309.db2.gz	VJODPAPQBBIAFZ-UHFFFAOYSA-N	0	3	304.438	2.739	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)c1ccco1	ZINC000360645334	428382022	/nfs/dbraw/zinc/38/20/22/428382022.db2.gz	DIZMCEKSBJCYNE-KRWDZBQOSA-N	0	3	323.396	2.938	20	30		DFEDHN
C=CCN(Cc1ccn(C)n1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371375940	428384738	/nfs/dbraw/zinc/38/47/38/428384738.db2.gz	WPNPBJVHMURUTH-LJQANCHMSA-N	0	3	310.445	2.683	20	30		DFEDHN
C=CCN(Cc1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371375413	428385037	/nfs/dbraw/zinc/38/50/37/428385037.db2.gz	VAHKDBZLXALREY-LJQANCHMSA-N	0	3	310.445	2.683	20	30		DFEDHN
C=CCN(Cc1ccn(C)n1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371375939	428387155	/nfs/dbraw/zinc/38/71/55/428387155.db2.gz	WPNPBJVHMURUTH-IBGZPJMESA-N	0	3	310.445	2.683	20	30		DFEDHN
COc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1Br	ZINC000347082902	428436613	/nfs/dbraw/zinc/43/66/13/428436613.db2.gz	YMZSQYNGQZZMKE-DTWKUNHWSA-N	0	3	311.179	2.795	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000342746256	428442586	/nfs/dbraw/zinc/44/25/86/428442586.db2.gz	FUQZDFQTJYAALA-MJGOQNOKSA-N	0	3	323.440	2.728	20	30		DFEDHN
CCN(Cc1ccc(C(=O)Nc2n[nH]c(C)c2C#N)cc1)C1CC1	ZINC000357236181	428448181	/nfs/dbraw/zinc/44/81/81/428448181.db2.gz	YHPRWQJVRVBYJF-UHFFFAOYSA-N	0	3	323.400	2.826	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000353260260	428455573	/nfs/dbraw/zinc/45/55/73/428455573.db2.gz	UEJZXRZFGNESQN-UHFFFAOYSA-N	0	3	313.445	2.907	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1	ZINC000389936169	428467083	/nfs/dbraw/zinc/46/70/83/428467083.db2.gz	NBJYVCJVWUMTCX-HLCARVAJSA-N	0	3	311.429	2.563	20	30		DFEDHN
CC1=CCN(CCNc2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000342837458	428467224	/nfs/dbraw/zinc/46/72/24/428467224.db2.gz	DHUYJFQVMWMXPW-UHFFFAOYSA-N	0	3	315.808	2.923	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000389954616	428467316	/nfs/dbraw/zinc/46/73/16/428467316.db2.gz	TXVBOECBIBSBEC-NVXWUHKLSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC)N(CC)CC	ZINC000342370159	428421157	/nfs/dbraw/zinc/42/11/57/428421157.db2.gz	IVNLGXJOLFEIPT-KRWDZBQOSA-N	0	3	322.449	2.797	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCOC2(CCOCC2)CC1	ZINC000372197488	428422335	/nfs/dbraw/zinc/42/23/35/428422335.db2.gz	PIVHMCVOUVPJDR-HNNXBMFYSA-N	0	3	300.402	2.891	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000342436483	428427064	/nfs/dbraw/zinc/42/70/64/428427064.db2.gz	MNPNBPGYVOTHSJ-PELKAZGASA-N	0	3	301.173	2.693	20	30		DFEDHN
C=CCN(CCn1ccnc1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372318662	428427158	/nfs/dbraw/zinc/42/71/58/428427158.db2.gz	NEHFMYBXLUSBDG-IBGZPJMESA-N	0	3	310.445	2.646	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1CCN(C)CC1	ZINC000342526994	428431445	/nfs/dbraw/zinc/43/14/45/428431445.db2.gz	JTYIVPMFRIWECN-UHFFFAOYSA-N	0	3	318.465	2.711	20	30		DFEDHN
COC[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000342562484	428432764	/nfs/dbraw/zinc/43/27/64/428432764.db2.gz	CXYJFHUCDWKSRI-ZBFHGGJFSA-N	0	3	315.417	2.634	20	30		DFEDHN
Cc1cc(NC(=O)[C@@H](C)C#N)cc(N2CCN(C(C)C)CC2)c1	ZINC000360895407	428482930	/nfs/dbraw/zinc/48/29/30/428482930.db2.gz	VWFRNEMIKVIVNL-HNNXBMFYSA-N	0	3	314.433	2.624	20	30		DFEDHN
Cc1ccc(NC[C@@H]2CCN(C)[C@H]2c2cccs2)nc1C#N	ZINC000372736892	428495562	/nfs/dbraw/zinc/49/55/62/428495562.db2.gz	FHKNLSKJITXDSX-SUMWQHHRSA-N	0	3	312.442	3.428	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H]1Cn1cncn1	ZINC000372747157	428498946	/nfs/dbraw/zinc/49/89/46/428498946.db2.gz	NQWVSSJDRWZRQD-INIZCTEOSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000372744878	428499571	/nfs/dbraw/zinc/49/95/71/428499571.db2.gz	VNHBLEDRSCIDAY-BPQIPLTHSA-N	0	3	320.477	2.760	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)C[C@@H]1CCCN1c1cccnn1	ZINC000353362130	428502899	/nfs/dbraw/zinc/50/28/99/428502899.db2.gz	DBEIMCGBQFFZQV-AWEZNQCLSA-N	0	3	313.430	2.511	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(C(=O)c2ccco2)CC1	ZINC000372799931	428503116	/nfs/dbraw/zinc/50/31/16/428503116.db2.gz	IBFVSLSEBOGYLO-UHFFFAOYSA-N	0	3	303.406	2.757	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CCOC)[C@@H](CC)C2)cc1	ZINC000353363005	428503246	/nfs/dbraw/zinc/50/32/46/428503246.db2.gz	HVTVEIYFOXGRFP-SFHVURJKSA-N	0	3	318.461	2.794	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC(N2C(=O)CCCC2=O)CC1	ZINC000373106556	428517722	/nfs/dbraw/zinc/51/77/22/428517722.db2.gz	KIQDZCWVHNAQNE-UHFFFAOYSA-N	0	3	319.449	2.710	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@]2(C)CCCN2Cc2ccccc2)n1	ZINC000398125352	428518321	/nfs/dbraw/zinc/51/83/21/428518321.db2.gz	YOLYVTCCAPHPNP-LJQANCHMSA-N	0	3	321.428	3.123	20	30		DFEDHN
COCCn1ncc2c1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCC2	ZINC000373204428	428524712	/nfs/dbraw/zinc/52/47/12/428524712.db2.gz	IAAVHTILKDGXEK-FVQBIDKESA-N	0	3	302.422	2.579	20	30		DFEDHN
N#CC(C(=O)c1cc(F)ccc1-n1cccn1)c1ccccn1	ZINC000361665185	428584879	/nfs/dbraw/zinc/58/48/79/428584879.db2.gz	VGRBHCHVVUXJTR-AWEZNQCLSA-N	0	3	306.300	2.896	20	30		DFEDHN
N#CC(C(=O)c1cc(F)ccc1-n1cccn1)c1ccccn1	ZINC000361665186	428585747	/nfs/dbraw/zinc/58/57/47/428585747.db2.gz	VGRBHCHVVUXJTR-CQSZACIVSA-N	0	3	306.300	2.896	20	30		DFEDHN
CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)cc1OC	ZINC000347294358	428533483	/nfs/dbraw/zinc/53/34/83/428533483.db2.gz	RVZVLGZBMIQDAT-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
CC(C)(CCC#N)CNc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000361046529	428533635	/nfs/dbraw/zinc/53/36/35/428533635.db2.gz	YHPLFCMNJRSGML-QGZVFWFLSA-N	0	3	301.434	2.995	20	30		DFEDHN
CC(C)CCN(CCC#N)C[C@H]1CCO[C@@H]1c1ccnn1C	ZINC000343238748	428538669	/nfs/dbraw/zinc/53/86/69/428538669.db2.gz	ZXYJPLOAUBSJFW-WBVHZDCISA-N	0	3	304.438	2.759	20	30		DFEDHN
N#CC(C(=O)c1ccc2cc[nH]c2n1)c1nc2ccccc2[nH]1	ZINC000347334473	428551010	/nfs/dbraw/zinc/55/10/10/428551010.db2.gz	RJQQHXDBJFCDHP-LLVKDONJSA-N	0	3	301.309	2.929	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1cncc(C#N)n1	ZINC000401212167	428551465	/nfs/dbraw/zinc/55/14/65/428551465.db2.gz	OCGQGJIZMVQSRU-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000373341384	428552363	/nfs/dbraw/zinc/55/23/63/428552363.db2.gz	XKFRQFMQPKUXCD-HIFRSBDPSA-N	0	3	304.459	2.907	20	30		DFEDHN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H]2[C@H](C1)C2(C)C	ZINC000357727549	428560790	/nfs/dbraw/zinc/56/07/90/428560790.db2.gz	IAKSPJNQLQKTAX-DFQRTDPHSA-N	0	3	317.477	2.894	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1	ZINC000357831073	428565438	/nfs/dbraw/zinc/56/54/38/428565438.db2.gz	OJTYGTLZNYEJHX-BXUZGUMPSA-N	0	3	323.799	2.892	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(COCC(F)(F)F)cc1	ZINC000357814447	428565471	/nfs/dbraw/zinc/56/54/71/428565471.db2.gz	GDSUVBHWJRWUHD-JTQLQIEISA-N	0	3	300.280	2.541	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1C#N	ZINC000415311318	428567526	/nfs/dbraw/zinc/56/75/26/428567526.db2.gz	ZSOKTAAYCBWDEV-CHWSQXEVSA-N	0	3	316.405	2.560	20	30		DFEDHN
CC1(C)[C@@H](O)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000361420493	428568318	/nfs/dbraw/zinc/56/83/18/428568318.db2.gz	NWUCRSZFIZGUEN-AWEZNQCLSA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C(C)C)[C@H]1CCOC1	ZINC000361417331	428568456	/nfs/dbraw/zinc/56/84/56/428568456.db2.gz	WUEULMOTMXJHLV-ZWKOTPCHSA-N	0	3	319.445	2.654	20	30		DFEDHN
CC(C#N)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000357839982	428568815	/nfs/dbraw/zinc/56/88/15/428568815.db2.gz	UBYXXQYBFJKERX-ZDUSSCGKSA-N	0	3	305.809	2.534	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CC[C@@H](C2CCN(C)CC2)C1	ZINC000347401529	428569024	/nfs/dbraw/zinc/56/90/24/428569024.db2.gz	CQXVIXKPOFUGGS-QGZVFWFLSA-N	0	3	311.429	2.929	20	30		DFEDHN
CN(CCCN(C)c1nc2c(cc1C#N)CCC2)Cc1ccco1	ZINC000343796496	428573741	/nfs/dbraw/zinc/57/37/41/428573741.db2.gz	WRQFARRRIZYSQX-UHFFFAOYSA-N	0	3	324.428	2.993	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)C)C1(C)C	ZINC000361551410	428576432	/nfs/dbraw/zinc/57/64/32/428576432.db2.gz	PEMSNLMGPMFPIK-XHSDSOJGSA-N	0	3	308.466	2.757	20	30		DFEDHN
N#Cc1ccc(CNC2CC(O)(Cc3cccc(F)c3)C2)s1	ZINC000373520879	428598238	/nfs/dbraw/zinc/59/82/38/428598238.db2.gz	JTTXPLIAJPBKBG-UHFFFAOYSA-N	0	3	316.401	2.985	20	30		DFEDHN
CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1	ZINC000344392451	428634088	/nfs/dbraw/zinc/63/40/88/428634088.db2.gz	QUFQLYBEHRZXPT-GOEBONIOSA-N	0	3	317.408	2.870	20	30		DFEDHN
CCc1nocc1CN(C)C(=O)C(C#N)CCc1ccccc1	ZINC000358412697	428598768	/nfs/dbraw/zinc/59/87/68/428598768.db2.gz	SQRNXZNIKNGAAR-OAHLLOKOSA-N	0	3	311.385	2.968	20	30		DFEDHN
CC[C@H](c1ccccc1OC)N(C)CCC(=O)N(C)CCC#N	ZINC000347563140	428604418	/nfs/dbraw/zinc/60/44/18/428604418.db2.gz	TYVSFLJJXCWVHI-MRXNPFEDSA-N	0	3	317.433	2.840	20	30		DFEDHN
C=CCN(CCOC)CCOc1cccc(Br)c1	ZINC000362049812	428613098	/nfs/dbraw/zinc/61/30/98/428613098.db2.gz	ZUEODYCTDIFDGP-UHFFFAOYSA-N	0	3	314.223	2.962	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N1CCCN(CCC)CC1	ZINC000373585870	428613462	/nfs/dbraw/zinc/61/34/62/428613462.db2.gz	YUJVXEQBSKBYDM-UHFFFAOYSA-N	0	3	315.417	2.648	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358636057	428614735	/nfs/dbraw/zinc/61/47/35/428614735.db2.gz	PQHOTVHKXHACRC-PBHICJAKSA-N	0	3	319.449	2.950	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCOCC(F)(F)F	ZINC000344133806	428624168	/nfs/dbraw/zinc/62/41/68/428624168.db2.gz	YFSBBSWUCLFEJQ-UHFFFAOYSA-N	0	3	316.323	2.586	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)CCc1ccccc1O	ZINC000344164245	428625527	/nfs/dbraw/zinc/62/55/27/428625527.db2.gz	NSOOVDAANUXPOQ-UHFFFAOYSA-N	0	3	323.396	2.767	20	30		DFEDHN
CO[C@]1(C)CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000373647320	428625949	/nfs/dbraw/zinc/62/59/49/428625949.db2.gz	LPFVXWXEFPJDIN-QGZVFWFLSA-N	0	3	321.465	2.562	20	30		DFEDHN
COCCNc1ccc(CNCc2cc(C#N)cs2)cc1	ZINC000344186882	428626240	/nfs/dbraw/zinc/62/62/40/428626240.db2.gz	FOGCEESMYFJPDY-UHFFFAOYSA-N	0	3	301.415	2.968	20	30		DFEDHN
CO[C@@]1(C)CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000373648889	428627331	/nfs/dbraw/zinc/62/73/31/428627331.db2.gz	RUUFFVWALSJPEV-WBVHZDCISA-N	0	3	321.465	2.609	20	30		DFEDHN
C=CCOCCCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000348052800	428634766	/nfs/dbraw/zinc/63/47/66/428634766.db2.gz	UEALSHDWBBFXRY-UHFFFAOYSA-N	0	3	300.402	2.994	20	30		DFEDHN
COc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347970887	428633162	/nfs/dbraw/zinc/63/31/62/428633162.db2.gz	XRMWPOAAORWYFG-KRWDZBQOSA-N	0	3	319.364	2.566	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc([C@@H](C)OCC)s2)CC1	ZINC000361773933	428595312	/nfs/dbraw/zinc/59/53/12/428595312.db2.gz	VJAUTABIZNFVKO-GFCCVEGCSA-N	0	3	323.462	2.621	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCOC1	ZINC000348142624	428641021	/nfs/dbraw/zinc/64/10/21/428641021.db2.gz	GCSUMRQAKQUFIK-DGCLKSJQSA-N	0	3	321.808	2.555	20	30		DFEDHN
C#CCC1(C(=O)N2CCCN(CCCOC)CC2)CCCCC1	ZINC000373765662	428646750	/nfs/dbraw/zinc/64/67/50/428646750.db2.gz	MTYYVXFDEPTYDQ-UHFFFAOYSA-N	0	3	320.477	2.531	20	30		DFEDHN
C[C@@]1(CNC(=O)NCCCC#N)CCN(Cc2ccccc2)C1	ZINC000373959644	428657301	/nfs/dbraw/zinc/65/73/01/428657301.db2.gz	UKLLCTVUXRCNLZ-SFHVURJKSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccccc2Cl)CC1	ZINC000358771942	428667892	/nfs/dbraw/zinc/66/78/92/428667892.db2.gz	BSVFSTHGANTDKK-UHFFFAOYSA-N	0	3	307.825	2.790	20	30		DFEDHN
C[C@@H]1CCC[C@H](CN2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000245533594	274296807	/nfs/dbraw/zinc/29/68/07/274296807.db2.gz	JDXYRZSAGOSFPA-OAGGEKHMSA-N	0	3	313.449	2.685	20	30		DFEDHN
N#CCCCCN(CCO)Cc1ccc(Br)s1	ZINC000362249011	428676291	/nfs/dbraw/zinc/67/62/91/428676291.db2.gz	KJPAZRJXSRKKNB-UHFFFAOYSA-N	0	3	317.252	2.999	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C#N)C[C@@H]1C	ZINC000410725122	428706552	/nfs/dbraw/zinc/70/65/52/428706552.db2.gz	YFNHVGKBVMOHDP-IEZWGBDMSA-N	0	3	313.445	2.809	20	30		DFEDHN
C=CCCCC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000416341078	428721784	/nfs/dbraw/zinc/72/17/84/428721784.db2.gz	MCLCPVWPZBWOHP-UHFFFAOYSA-N	0	3	306.406	2.930	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000362372427	428723247	/nfs/dbraw/zinc/72/32/47/428723247.db2.gz	ZRZQRJHMTYZCDW-WMLDXEAASA-N	0	3	319.449	2.952	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000362372051	428723572	/nfs/dbraw/zinc/72/35/72/428723572.db2.gz	WUCFIQXAVGNOEP-YOEHRIQHSA-N	0	3	301.434	2.697	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000362380836	428724953	/nfs/dbraw/zinc/72/49/53/428724953.db2.gz	SVERTCBTGSNKSI-CVEARBPZSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CCCC2(C1)CCCCCC2	ZINC000362383209	428726512	/nfs/dbraw/zinc/72/65/12/428726512.db2.gz	JJCQFSOMAMKVLY-HNNXBMFYSA-N	0	3	321.465	2.823	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)CN1[C@@H](C)CC[C@@H]1C	ZINC000344946583	428726804	/nfs/dbraw/zinc/72/68/04/428726804.db2.gz	XCYULGCJNAPGCD-HOTGVXAUSA-N	0	3	311.429	2.946	20	30		DFEDHN
C=CCOCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000348401662	428732258	/nfs/dbraw/zinc/73/22/58/428732258.db2.gz	GIJKBVWHKDCYAV-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=C(C)Cn1c(N(C)[C@@H]2CCN(C3CC3)C2)nnc1C(C)(C)C	ZINC000358805279	428683219	/nfs/dbraw/zinc/68/32/19/428683219.db2.gz	LESNGNGSZUANSE-OAHLLOKOSA-N	0	3	317.481	2.825	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1	ZINC000374513354	428691071	/nfs/dbraw/zinc/69/10/71/428691071.db2.gz	KDCMYUVRFQOKRJ-QGTPRVQTSA-N	0	3	312.413	2.503	20	30		DFEDHN
C[C@H](c1cccnc1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000411417889	428792813	/nfs/dbraw/zinc/79/28/13/428792813.db2.gz	IYTVXGYCESRBDC-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000097473162	274485082	/nfs/dbraw/zinc/48/50/82/274485082.db2.gz	BBVTXCSSRKSICJ-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1	ZINC000358997674	428767031	/nfs/dbraw/zinc/76/70/31/428767031.db2.gz	YFYICSGZPVTCLK-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(n2cc(Br)cn2)CC1	ZINC000411256594	428767911	/nfs/dbraw/zinc/76/79/11/428767911.db2.gz	RDLQGSIQYFVIHM-LLVKDONJSA-N	0	3	311.227	2.975	20	30		DFEDHN
C[C@H](NCC(=O)Nc1cccc(C#N)c1)[C@H]1COc2ccccc21	ZINC000185619261	274510916	/nfs/dbraw/zinc/51/09/16/274510916.db2.gz	XIDGPEKCFWONKE-SUMWQHHRSA-N	0	3	321.380	2.651	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCN(C(=O)c2ccoc2)CC1	ZINC000363042531	428845308	/nfs/dbraw/zinc/84/53/08/428845308.db2.gz	LXSHYYJNFLRXQS-UHFFFAOYSA-N	0	3	303.406	2.757	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC2(CCOCC2)CC1	ZINC000375291158	428846466	/nfs/dbraw/zinc/84/64/66/428846466.db2.gz	FDNUJVBZUSBRFY-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
CCOC(=O)c1cnn(C2CCN([C@H](C)CCC#N)CC2)c1C	ZINC000411719203	428846975	/nfs/dbraw/zinc/84/69/75/428846975.db2.gz	KWWGLBRCNMPWCX-CYBMUJFWSA-N	0	3	318.421	2.697	20	30		DFEDHN
CC[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000353970550	428797255	/nfs/dbraw/zinc/79/72/55/428797255.db2.gz	FIIIBOIOGFFXMM-IUODEOHRSA-N	0	3	306.431	2.565	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C[C@@H]21	ZINC000375040258	428798896	/nfs/dbraw/zinc/79/88/96/428798896.db2.gz	OHLPNFZVCPCRFK-PWSUYJOCSA-N	0	3	310.323	2.502	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2[C@H](C)C(=O)N(C)CCC#N)s1	ZINC000359080118	428806128	/nfs/dbraw/zinc/80/61/28/428806128.db2.gz	ZDZFVZLEUHHTFQ-KGLIPLIRSA-N	0	3	305.447	2.954	20	30		DFEDHN
CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](C)O	ZINC000348702086	428814615	/nfs/dbraw/zinc/81/46/15/428814615.db2.gz	DPLPMZPPRDOQEH-HNNXBMFYSA-N	0	3	312.417	2.666	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2CCCOC2)cc1OCCCC#N	ZINC000348700037	428815037	/nfs/dbraw/zinc/81/50/37/428815037.db2.gz	BPAMIKUUJFZVCO-INIZCTEOSA-N	0	3	318.417	2.989	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCOCC3(CCC3)C2)cc1	ZINC000375197352	428822093	/nfs/dbraw/zinc/82/20/93/428822093.db2.gz	LZGCROVONXRMGE-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccc(C#N)s1)Cc1ccccc1	ZINC000362987151	428834136	/nfs/dbraw/zinc/83/41/36/428834136.db2.gz	QDLUFRCWPQFVRV-CQSZACIVSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000363412403	428910544	/nfs/dbraw/zinc/91/05/44/428910544.db2.gz	PTZRTOCEUFENJX-CYBMUJFWSA-N	0	3	307.463	2.976	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)NCC2(CC#N)CC2)cc1	ZINC000418118665	428883439	/nfs/dbraw/zinc/88/34/39/428883439.db2.gz	FHDOPHZUQAJIGB-MRXNPFEDSA-N	0	3	314.433	2.803	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000363288431	428899237	/nfs/dbraw/zinc/89/92/37/428899237.db2.gz	IOIDPDLPOCKTME-FUHWJXTLSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCOCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2	ZINC000411994577	428903680	/nfs/dbraw/zinc/90/36/80/428903680.db2.gz	ZQPRWNRMVKPYHM-SFHVURJKSA-N	0	3	301.386	2.689	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](Cc1ccccc1)C(N)=O	ZINC000419373616	428931424	/nfs/dbraw/zinc/93/14/24/428931424.db2.gz	OMJDSUBOOQYDON-OALUTQOASA-N	0	3	319.408	2.622	20	30		DFEDHN
CC(C#N)C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000359357535	428936596	/nfs/dbraw/zinc/93/65/96/428936596.db2.gz	DYCZNYZSCMQVOP-MRVPVSSYSA-N	0	3	314.172	2.598	20	30		DFEDHN
CC(C)(C)c1cnc(C(C#N)C(=O)Nc2nncs2)s1	ZINC000419831336	428939474	/nfs/dbraw/zinc/93/94/74/428939474.db2.gz	HNFVUBIKDZTHDA-ZETCQYMHSA-N	0	3	307.404	2.538	20	30		DFEDHN
C=C(CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000359367686	428942311	/nfs/dbraw/zinc/94/23/11/428942311.db2.gz	CFXAEIJAJSKWAD-AWEZNQCLSA-N	0	3	316.426	2.698	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(NCCCNCc2cccnc2)c1	ZINC000420178487	428947431	/nfs/dbraw/zinc/94/74/31/428947431.db2.gz	DOYNTRCORCGWHE-UHFFFAOYSA-N	0	3	308.385	2.748	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	ZINC000412088597	428950304	/nfs/dbraw/zinc/95/03/04/428950304.db2.gz	XPOLMRYQQQTAJA-KFWWJZLASA-N	0	3	323.481	2.566	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)o1)N(C)C	ZINC000349259346	428951909	/nfs/dbraw/zinc/95/19/09/428951909.db2.gz	DVAPNEGLXALWGJ-DYVFJYSZSA-N	0	3	311.385	2.881	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2cncc(C#N)n2)CC1	ZINC000420645159	428961655	/nfs/dbraw/zinc/96/16/55/428961655.db2.gz	YLQAUFJRVCEEHJ-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC[C@@H](C)C1	ZINC000420794345	428963382	/nfs/dbraw/zinc/96/33/82/428963382.db2.gz	RNMVQMPXTDSGJX-OLZOCXBDSA-N	0	3	320.462	2.539	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(C)C[C@@H]2CCCN2C)c1	ZINC000421078636	428978750	/nfs/dbraw/zinc/97/87/50/428978750.db2.gz	HVCHPPWBAVDUEH-HNNXBMFYSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(C)C[C@H]2CCCN2C)c1	ZINC000421078637	428979013	/nfs/dbraw/zinc/97/90/13/428979013.db2.gz	HVCHPPWBAVDUEH-OAHLLOKOSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)N(C)[C@@H](C)C2)cc(OC)c1O	ZINC000354434896	428984442	/nfs/dbraw/zinc/98/44/42/428984442.db2.gz	BASQYMMVDAUBGD-KBPBESRZSA-N	0	3	304.434	2.654	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1OC	ZINC000421361424	428990345	/nfs/dbraw/zinc/99/03/45/428990345.db2.gz	KXOKKHOWKIJNLA-HOCLYGCPSA-N	0	3	305.418	2.710	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@]12C[C@@H]1CCC2	ZINC000421466377	428999259	/nfs/dbraw/zinc/99/92/59/428999259.db2.gz	HYXQSFUSKLRWRD-HKUYNNGSSA-N	0	3	311.429	2.639	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](OCCOCC)C2)c1	ZINC000355218402	429034426	/nfs/dbraw/zinc/03/44/26/429034426.db2.gz	IHYOBMAELAIVMF-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000451895046	429011694	/nfs/dbraw/zinc/01/16/94/429011694.db2.gz	WWUPFMURIFBHPA-OAHLLOKOSA-N	0	3	309.498	2.510	20	30		DFEDHN
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424084290	429090048	/nfs/dbraw/zinc/09/00/48/429090048.db2.gz	NZUSHIUSCVRTKR-HNNXBMFYSA-N	0	3	316.405	2.631	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC2(CCC2)c2c1cccc2F	ZINC000424110976	429092254	/nfs/dbraw/zinc/09/22/54/429092254.db2.gz	DZOKKRBKDBHDPF-CYBMUJFWSA-N	0	3	301.365	2.615	20	30		DFEDHN
C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424113389	429093214	/nfs/dbraw/zinc/09/32/14/429093214.db2.gz	NOCVUECXEICUTL-GDBMZVCRSA-N	0	3	301.434	2.880	20	30		DFEDHN
COc1ccc(N(C(=O)[C@@H](N)CCCC#N)[C@H](C)C2CC2)cc1	ZINC000424115153	429093369	/nfs/dbraw/zinc/09/33/69/429093369.db2.gz	UIAABBDPDDRLOD-DYVFJYSZSA-N	0	3	315.417	2.848	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)c1ccccc1	ZINC000424123506	429094364	/nfs/dbraw/zinc/09/43/64/429094364.db2.gz	KZAXMVSVTQDLQC-CVEARBPZSA-N	0	3	301.434	2.880	20	30		DFEDHN
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000424119573	429095250	/nfs/dbraw/zinc/09/52/50/429095250.db2.gz	FURTUAUKQGCISZ-DFBGVHRSSA-N	0	3	323.824	2.553	20	30		DFEDHN
COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](N)CCCC#N	ZINC000424123987	429095258	/nfs/dbraw/zinc/09/52/58/429095258.db2.gz	NIWZGFRHRIDJPV-CVEARBPZSA-N	0	3	317.433	2.920	20	30		DFEDHN
C=CCn1c([C@H]2CCCS2)nnc1N1CCCN(CC)CC1	ZINC000424132845	429095806	/nfs/dbraw/zinc/09/58/06/429095806.db2.gz	YKSROBNITLSQSL-CQSZACIVSA-N	0	3	321.494	2.564	20	30		DFEDHN
COC(=O)[C@@H]1CN(CCC(C)(C)C#N)C[C@@H]1c1ccccc1	ZINC000451998810	429035585	/nfs/dbraw/zinc/03/55/85/429035585.db2.gz	BWACITUHPGPIKT-HZPDHXFCSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cc[nH]c(=O)c1	ZINC000355305821	429037161	/nfs/dbraw/zinc/03/71/61/429037161.db2.gz	VAFXDUDXDMNWFP-XJKSGUPXSA-N	0	3	309.369	2.737	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@H]1CCCCN1C1CC1	ZINC000355436314	429046222	/nfs/dbraw/zinc/04/62/22/429046222.db2.gz	BVHNXYDAHCKNOM-OAHLLOKOSA-N	0	3	306.454	2.632	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CCO)CC1	ZINC000422078913	429047642	/nfs/dbraw/zinc/04/76/42/429047642.db2.gz	USUKFUMAPORGSG-MSOLQXFVSA-N	0	3	314.429	2.770	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H](C)C1	ZINC000452127541	429066774	/nfs/dbraw/zinc/06/67/74/429066774.db2.gz	SPWCRNPUDDLRMM-YIOZNXECSA-N	0	3	315.461	2.649	20	30		DFEDHN
N#Cc1c(N2CCCN(C3CC3)CC2)nc2cc(Cl)ccn12	ZINC000376172107	429070328	/nfs/dbraw/zinc/07/03/28/429070328.db2.gz	KIDMWZYZRKYMMP-UHFFFAOYSA-N	0	3	315.808	2.534	20	30		DFEDHN
C[C@H](NC[C@H]1CCCN1c1cccnn1)c1cccc(C#N)c1	ZINC000376179299	429071981	/nfs/dbraw/zinc/07/19/81/429071981.db2.gz	ZKIOUWIKWKTUKY-WMLDXEAASA-N	0	3	307.401	2.668	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1ncc(-c2ccccc2)o1	ZINC000424135060	429097349	/nfs/dbraw/zinc/09/73/49/429097349.db2.gz	YXIUANDBWFZATD-GXTWGEPZSA-N	0	3	312.373	2.540	20	30		DFEDHN
C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN(C2CC2)C1	ZINC000452176770	429080189	/nfs/dbraw/zinc/08/01/89/429080189.db2.gz	VWRLBMVFUOKAAO-HNNXBMFYSA-N	0	3	323.440	2.533	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F	ZINC000412680812	429080697	/nfs/dbraw/zinc/08/06/97/429080697.db2.gz	QNVNUHYLVPGZCL-FZMZJTMJSA-N	0	3	323.318	2.945	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1	ZINC000424057707	429084185	/nfs/dbraw/zinc/08/41/85/429084185.db2.gz	JUPRKIOHNQDKCU-ZDUSSCGKSA-N	0	3	300.387	2.770	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000424503005	429146325	/nfs/dbraw/zinc/14/63/25/429146325.db2.gz	AXCFUINVVAMOOM-NRSFXHEJSA-N	0	3	316.445	2.775	20	30		DFEDHN
C=CC(C)(C)CN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000453303792	429146446	/nfs/dbraw/zinc/14/64/46/429146446.db2.gz	DEORLELPIKMWQA-CYBMUJFWSA-N	0	3	310.463	2.800	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(C#N)c(F)c1)CO2	ZINC000453397094	429147147	/nfs/dbraw/zinc/14/71/47/429147147.db2.gz	YZSHDAFZDQHDQA-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453453404	429149803	/nfs/dbraw/zinc/14/98/03/429149803.db2.gz	VHEJONAMWPDUQR-OAHLLOKOSA-N	0	3	305.470	2.583	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453463450	429152464	/nfs/dbraw/zinc/15/24/64/429152464.db2.gz	JMQKRXJVLWARDJ-INIZCTEOSA-N	0	3	317.481	2.726	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN1C	ZINC000413167496	429154081	/nfs/dbraw/zinc/15/40/81/429154081.db2.gz	HUJUMPOATRQORR-SJORKVTESA-N	0	3	301.434	2.567	20	30		DFEDHN
COc1cc(CN[C@H](CO)Cc2ccc(C)c(C)c2)ccc1C#N	ZINC000453641763	429155536	/nfs/dbraw/zinc/15/55/36/429155536.db2.gz	YJHBKMGUGRBNLP-IBGZPJMESA-N	0	3	324.424	2.877	20	30		DFEDHN
N#Cc1cnccc1NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000376386419	429102453	/nfs/dbraw/zinc/10/24/53/429102453.db2.gz	UTZNZAFRVBKSKM-UHFFFAOYSA-N	0	3	324.350	2.592	20	30		DFEDHN
CC(C)C[C@@H](CNCc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C	ZINC000424186508	429106325	/nfs/dbraw/zinc/10/63/25/429106325.db2.gz	IEPXYXUPFRVMAJ-HNNXBMFYSA-N	0	3	319.449	2.990	20	30		DFEDHN
CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCCc2cccnc21	ZINC000424178770	429106417	/nfs/dbraw/zinc/10/64/17/429106417.db2.gz	XIYRVYOMQKTHSA-JKSUJKDBSA-N	0	3	314.433	2.719	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(c2ccccc2Cl)CC1	ZINC000424184210	429106568	/nfs/dbraw/zinc/10/65/68/429106568.db2.gz	XHZCCQQILYPEQD-AWEZNQCLSA-N	0	3	305.809	2.509	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	ZINC000424188675	429108636	/nfs/dbraw/zinc/10/86/36/429108636.db2.gz	YLUMEFQTHZIYCA-NWDGAFQWSA-N	0	3	317.355	2.589	20	30		DFEDHN
CC(C)[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000434867209	429114411	/nfs/dbraw/zinc/11/44/11/429114411.db2.gz	ZOHSDAVUGZDVOG-ZWKOTPCHSA-N	0	3	322.412	2.509	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)NCCN3CCCCCC3)CC2)c1	ZINC000435034951	429119745	/nfs/dbraw/zinc/11/97/45/429119745.db2.gz	OLTHSLLPFFAPRN-UHFFFAOYSA-N	0	3	311.429	2.582	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@H](c1cnn(C)c1)c1cccc(F)c1	ZINC000424290056	429121913	/nfs/dbraw/zinc/12/19/13/429121913.db2.gz	AVOVUAAFHABOCK-WBAXXEDZSA-N	0	3	315.392	2.829	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)[C@H](C)c2ccc(OC)cc2)nn1	ZINC000424291676	429121953	/nfs/dbraw/zinc/12/19/53/429121953.db2.gz	FAQJBMYNGTVIOS-KBPBESRZSA-N	0	3	300.406	2.755	20	30		DFEDHN
C=CCn1cc(CN[C@H](Cc2ccc(F)cc2)C(C)C)nn1	ZINC000424300024	429122592	/nfs/dbraw/zinc/12/25/92/429122592.db2.gz	WRHLTUNBOMNLGJ-QGZVFWFLSA-N	0	3	302.397	2.960	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)CCc2ccc(F)cc2F)nn1	ZINC000424300998	429122624	/nfs/dbraw/zinc/12/26/24/429122624.db2.gz	YYXUUDZHPYOJNZ-LBPRGKRZSA-N	0	3	306.360	2.853	20	30		DFEDHN
C=C(C)CCNC(=O)NCCCN1CCc2ccccc2C1	ZINC000454237619	429161590	/nfs/dbraw/zinc/16/15/90/429161590.db2.gz	DGKUPSZDTGOOPX-UHFFFAOYSA-N	0	3	301.434	2.700	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000454311247	429163063	/nfs/dbraw/zinc/16/30/63/429163063.db2.gz	KXRTVSJFRCGDIN-UHFFFAOYSA-N	0	3	319.449	2.638	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCC2(COC)CCC2)CC1	ZINC000454470982	429167082	/nfs/dbraw/zinc/16/70/82/429167082.db2.gz	XVRGGFQTDHBRIT-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000454501599	429167524	/nfs/dbraw/zinc/16/75/24/429167524.db2.gz	RTOBZJNFMGCQAV-JYJNAYRXSA-N	0	3	306.454	2.632	20	30		DFEDHN
Cc1cc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)ccc1C#N	ZINC000487881935	429172130	/nfs/dbraw/zinc/17/21/30/429172130.db2.gz	PJLLBSGTTATANF-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000454802315	429172576	/nfs/dbraw/zinc/17/25/76/429172576.db2.gz	NNPRMISXUQHLEN-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
Cc1nc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C#N	ZINC000488109038	429177146	/nfs/dbraw/zinc/17/71/46/429177146.db2.gz	TXMSUENOIUEFOA-YJBOKZPZSA-N	0	3	306.413	3.509	20	30		DFEDHN
Cc1cc(CN2CCSC3(CCOCC3)C2)ccc1C#N	ZINC000488037718	429174233	/nfs/dbraw/zinc/17/42/33/429174233.db2.gz	GPBUAONNPZIJGI-UHFFFAOYSA-N	0	3	302.443	2.965	20	30		DFEDHN
CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1C	ZINC000488043257	429175000	/nfs/dbraw/zinc/17/50/00/429175000.db2.gz	QAXPKKGMFAKBJB-HNNXBMFYSA-N	0	3	323.387	2.932	20	30		DFEDHN
C=CCC1(C(=O)N2CCCN(C3CCCC3)CC2)CCOCC1	ZINC000424694140	429177793	/nfs/dbraw/zinc/17/77/93/429177793.db2.gz	YIWJEHFUFDRDPI-UHFFFAOYSA-N	0	3	320.477	2.836	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC1CC(C)(F)C1)C(C)C	ZINC000455143741	429181252	/nfs/dbraw/zinc/18/12/52/429181252.db2.gz	QNZIZONVFUQKBZ-ISXOHVOVSA-N	0	3	311.445	2.875	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H](C)C1	ZINC000488745641	429196151	/nfs/dbraw/zinc/19/61/51/429196151.db2.gz	DUAFQOFTQNBCKY-DOXZYTNZSA-N	0	3	324.472	2.999	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H](C)C1	ZINC000488736425	429193934	/nfs/dbraw/zinc/19/39/34/429193934.db2.gz	PYZJKLYMMNHAFH-SUNYJGFJSA-N	0	3	310.445	2.608	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CC1	ZINC000182212547	275382246	/nfs/dbraw/zinc/38/22/46/275382246.db2.gz	LCJKBTGMCPWQPX-DNVCBOLYSA-N	0	3	310.441	2.690	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)s1	ZINC000438466406	429212493	/nfs/dbraw/zinc/21/24/93/429212493.db2.gz	NIHUGWMWECPBJU-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(C#N)cc2F)C1	ZINC000495542096	429220992	/nfs/dbraw/zinc/22/09/92/429220992.db2.gz	QQDOQKAGFXYVBZ-DOMZBBRYSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1CCC(C#N)CC1	ZINC000441035980	429229987	/nfs/dbraw/zinc/22/99/87/429229987.db2.gz	QDVCTDLYOYMISH-XNIRIUNOSA-N	0	3	320.481	2.736	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CCOCC1	ZINC000424859192	429200889	/nfs/dbraw/zinc/20/08/89/429200889.db2.gz	CUHZERNVJCOHIC-KRWDZBQOSA-N	0	3	322.493	2.986	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@H](CO)c1ccccc1	ZINC000456088856	429240601	/nfs/dbraw/zinc/24/06/01/429240601.db2.gz	UQBCBXLKCJPICW-RBUKOAKNSA-N	0	3	322.408	2.951	20	30		DFEDHN
C=CCOCCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000495652086	429241108	/nfs/dbraw/zinc/24/11/08/429241108.db2.gz	OKVZFVIGELECNV-LSDHHAIUSA-N	0	3	312.454	2.814	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2cc(C#N)ccn2)CC1	ZINC000425242953	429249632	/nfs/dbraw/zinc/24/96/32/429249632.db2.gz	SJWUAAAQFXRKBP-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H](C)C1	ZINC000425270006	429253846	/nfs/dbraw/zinc/25/38/46/429253846.db2.gz	RZSZCKXSWBDGGC-DEYYWGMASA-N	0	3	310.445	2.608	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H](C)C1	ZINC000425270009	429254954	/nfs/dbraw/zinc/25/49/54/429254954.db2.gz	RZSZCKXSWBDGGC-SUNYJGFJSA-N	0	3	310.445	2.608	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000425270744	429255201	/nfs/dbraw/zinc/25/52/01/429255201.db2.gz	UEOUSSJFCFOFJW-XEZPLFJOSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCOCCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000495796843	429267680	/nfs/dbraw/zinc/26/76/80/429267680.db2.gz	YSNGVBHSSWLUQR-QGZVFWFLSA-N	0	3	310.438	2.522	20	30		DFEDHN
C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000495796387	429268495	/nfs/dbraw/zinc/26/84/95/429268495.db2.gz	VJPLMOYDHXZDCZ-KBUPBQIOSA-N	0	3	307.438	2.914	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000448810822	429318389	/nfs/dbraw/zinc/31/83/89/429318389.db2.gz	JMOCXTFPWHWKAD-FOIQADDNSA-N	0	3	323.440	2.585	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccccc1	ZINC000425542160	429319815	/nfs/dbraw/zinc/31/98/15/429319815.db2.gz	QFNYTJWGXKVRCP-CRAIPNDOSA-N	0	3	310.397	2.991	20	30		DFEDHN
C#CCNC(=O)CCN1CCC(F)(c2cccc(Cl)c2)CC1	ZINC000491200742	429333861	/nfs/dbraw/zinc/33/38/61/429333861.db2.gz	CDIWSCDTHCPNGI-UHFFFAOYSA-N	0	3	322.811	2.740	20	30		DFEDHN
CN(CCNC(=O)/C=C\c1ccc(C#N)cc1)Cc1ccccc1	ZINC000491213666	429334846	/nfs/dbraw/zinc/33/48/46/429334846.db2.gz	ZNSOHIRUBQRYDK-QXMHVHEDSA-N	0	3	319.408	2.820	20	30		DFEDHN
C#CCN(Cc1ccccc1)C(=O)CCN(C)c1ccncc1	ZINC000491221503	429336265	/nfs/dbraw/zinc/33/62/65/429336265.db2.gz	XFBVFLKJLLJUCS-UHFFFAOYSA-N	0	3	307.397	2.570	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491241604	429338048	/nfs/dbraw/zinc/33/80/48/429338048.db2.gz	KFGMUJNLLXZAIT-WBVHZDCISA-N	0	3	302.393	2.566	20	30		DFEDHN
C=CCSCCNCc1cnn(-c2ccc(OC)cc2)c1	ZINC000449132966	429340104	/nfs/dbraw/zinc/34/01/04/429340104.db2.gz	WOFSSQQXAGFUHX-UHFFFAOYSA-N	0	3	303.431	2.890	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1	ZINC000456740291	429344513	/nfs/dbraw/zinc/34/45/13/429344513.db2.gz	VKWMBXVVDPSAKO-ZWKOTPCHSA-N	0	3	320.392	2.879	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1	ZINC000456740287	429344541	/nfs/dbraw/zinc/34/45/41/429344541.db2.gz	VKWMBXVVDPSAKO-QZTJIDSGSA-N	0	3	320.392	2.879	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(Cl)cc1	ZINC000491303809	429345579	/nfs/dbraw/zinc/34/55/79/429345579.db2.gz	CJZRRUWLWPOZRO-CVEARBPZSA-N	0	3	319.836	2.750	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc(Cl)cc1	ZINC000491303811	429346027	/nfs/dbraw/zinc/34/60/27/429346027.db2.gz	CJZRRUWLWPOZRO-HZPDHXFCSA-N	0	3	319.836	2.750	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CC(F)(F)F)C(C)C	ZINC000445898985	429293507	/nfs/dbraw/zinc/29/35/07/429293507.db2.gz	TXQOAUVOUOYRRS-RYUDHWBXSA-N	0	3	307.360	2.561	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)c2cc(Cl)cn2C)CC1	ZINC000365305193	429297255	/nfs/dbraw/zinc/29/72/55/429297255.db2.gz	GMEDJTNEVWJWPP-UHFFFAOYSA-N	0	3	309.841	2.793	20	30		DFEDHN
C#CC(C)(C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000490656448	429298355	/nfs/dbraw/zinc/29/83/55/429298355.db2.gz	KQOIXUMXVQORED-HNNXBMFYSA-N	0	3	302.393	2.566	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC2(CCN(C)C2=O)CC1	ZINC000447084538	429302754	/nfs/dbraw/zinc/30/27/54/429302754.db2.gz	FRIUXFPRPWIROQ-UHFFFAOYSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1	ZINC000425478108	429304705	/nfs/dbraw/zinc/30/47/05/429304705.db2.gz	NDGZGPVDMOLJAA-RDJZCZTQSA-N	0	3	305.466	2.762	20	30		DFEDHN
COc1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)ccc1OCCO	ZINC000447563857	429304742	/nfs/dbraw/zinc/30/47/42/429304742.db2.gz	SPHZDHXXNAJKCJ-SQWLQELKSA-N	0	3	318.417	2.799	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1	ZINC000496080796	429304812	/nfs/dbraw/zinc/30/48/12/429304812.db2.gz	BEMCIVPQVRUOEH-IHRRRGAJSA-N	0	3	323.437	2.593	20	30		DFEDHN
C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)o1	ZINC000496105757	429306650	/nfs/dbraw/zinc/30/66/50/429306650.db2.gz	QKBKZMISMXCKSX-VXGBXAGGSA-N	0	3	307.394	2.933	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1Cl	ZINC000447981495	429309684	/nfs/dbraw/zinc/30/96/84/429309684.db2.gz	FTVAFVMUVDTKFZ-GDBMZVCRSA-N	0	3	311.809	2.534	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)c1ccsc1	ZINC000448694667	429315867	/nfs/dbraw/zinc/31/58/67/429315867.db2.gz	OTPAWLKWRMTGQR-XPKDYRNWSA-N	0	3	305.447	2.797	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccc(F)c2C#N)C1	ZINC000496888613	429317236	/nfs/dbraw/zinc/31/72/36/429317236.db2.gz	BDUZAMSOOBZIPY-TZMCWYRMSA-N	0	3	319.380	2.654	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000491727225	429397110	/nfs/dbraw/zinc/39/71/10/429397110.db2.gz	BOCQYCZAMZGHMU-NXHRZFHOSA-N	0	3	313.445	2.751	20	30		DFEDHN
C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000491727187	429397547	/nfs/dbraw/zinc/39/75/47/429397547.db2.gz	LFWZTOYAKIFQAX-WFASDCNBSA-N	0	3	303.362	2.559	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1ccccc1)C(C)C	ZINC000491765180	429403536	/nfs/dbraw/zinc/40/35/36/429403536.db2.gz	BVNBKYIIPKTTJF-UHFFFAOYSA-N	0	3	301.434	2.562	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000449172868	429349113	/nfs/dbraw/zinc/34/91/13/429349113.db2.gz	MTLAKBPIQGTGFU-ZFWWWQNUSA-N	0	3	304.438	2.558	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCCc1ccc(SC)cc1	ZINC000491381392	429354460	/nfs/dbraw/zinc/35/44/60/429354460.db2.gz	DOFJNPSNNUZULB-UHFFFAOYSA-N	0	3	318.486	2.803	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000491396427	429356359	/nfs/dbraw/zinc/35/63/59/429356359.db2.gz	YDEZPYPMSYTGPN-OLZOCXBDSA-N	0	3	322.811	2.654	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C1CC1	ZINC000491396110	429357022	/nfs/dbraw/zinc/35/70/22/429357022.db2.gz	WSNOPAYUGLLBSM-DZGCQCFKSA-N	0	3	303.406	2.516	20	30		DFEDHN
COc1ccc(CN2CC[C@H](CO)[C@@H]2C)cc1OCCCC#N	ZINC000426005241	429359825	/nfs/dbraw/zinc/35/98/25/429359825.db2.gz	XOVLLOQXGVHMQN-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Cc1cc2ccccc2s1	ZINC000491484544	429365531	/nfs/dbraw/zinc/36/55/31/429365531.db2.gz	JFDWYSHVODZEPJ-UHFFFAOYSA-N	0	3	300.427	2.515	20	30		DFEDHN
CO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000514911405	429373170	/nfs/dbraw/zinc/37/31/70/429373170.db2.gz	OFOIZPZWSFEDGV-CVEARBPZSA-N	0	3	310.401	2.595	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC(C3CCCCC3)C2)cc1	ZINC000515422066	429376556	/nfs/dbraw/zinc/37/65/56/429376556.db2.gz	YDWNDMLNKJKNBQ-SFHVURJKSA-N	0	3	314.429	2.810	20	30		DFEDHN
C#C[C@@H](NC[C@@H](O)c1ccc(F)c(Br)c1)C(C)C	ZINC000491638765	429383025	/nfs/dbraw/zinc/38/30/25/429383025.db2.gz	WDSNQVXJENZBKY-ZIAGYGMSSA-N	0	3	314.198	2.869	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H](c2ccccc2)C2CC2)CC1	ZINC000491669224	429387828	/nfs/dbraw/zinc/38/78/28/429387828.db2.gz	PEIBVXFRGFWYEK-LJQANCHMSA-N	0	3	310.441	2.642	20	30		DFEDHN
CC(C)SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000517564202	429388282	/nfs/dbraw/zinc/38/82/82/429388282.db2.gz	ZOULWJPSJWKLQQ-UHFFFAOYSA-N	0	3	319.474	2.590	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OCC)c(OC)c1	ZINC000449523062	429444617	/nfs/dbraw/zinc/44/46/17/429444617.db2.gz	WKCLXRIVUNGTTF-KGLIPLIRSA-N	0	3	307.390	2.536	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCCC[C@@H]1C	ZINC000457443444	429464783	/nfs/dbraw/zinc/46/47/83/429464783.db2.gz	NHPDNYNMYJSQEW-MWDXBVQZSA-N	0	3	308.466	2.737	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000491813791	429414165	/nfs/dbraw/zinc/41/41/65/429414165.db2.gz	INFBMLHMYBSXLS-CVEARBPZSA-N	0	3	313.445	2.875	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl	ZINC000491842621	429418936	/nfs/dbraw/zinc/41/89/36/429418936.db2.gz	FGRITWFEYBQOBI-DJFZKKHWSA-N	0	3	312.200	2.792	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C/C1CCOCC1)C(C)C	ZINC000491846900	429419393	/nfs/dbraw/zinc/41/93/93/429419393.db2.gz	PFJMXZBRDQLJLU-DVBCCOPCSA-N	0	3	320.477	2.784	20	30		DFEDHN
C[C@@]12CN(Cc3cnc4ccc(C#N)cn34)C[C@@H]1[C@@H]1C=C[C@H]2C1	ZINC000449453911	429421706	/nfs/dbraw/zinc/42/17/06/429421706.db2.gz	XYRALLQJRFWLLX-GFIVTLFCSA-N	0	3	304.397	2.850	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000491891704	429429551	/nfs/dbraw/zinc/42/95/51/429429551.db2.gz	JVEQIULBRHWYIS-WXJAXGNASA-N	0	3	311.307	2.504	20	30		DFEDHN
CN(CCCNC(=O)NCC(C)(C)CC#N)Cc1ccccc1	ZINC000457507877	429479070	/nfs/dbraw/zinc/47/90/70/429479070.db2.gz	KKIISWCOVZVFGD-UHFFFAOYSA-N	0	3	316.449	2.748	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@H](O)C2CCC2)ccc1OC	ZINC000449740814	429493399	/nfs/dbraw/zinc/49/33/99/429493399.db2.gz	RAYIGPHIASENDC-INIZCTEOSA-N	0	3	305.418	2.901	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1	ZINC000366968702	429548954	/nfs/dbraw/zinc/54/89/54/429548954.db2.gz	GOIGHMKJROLQIM-DYVFJYSZSA-N	0	3	310.401	2.878	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC(F)(F)C(F)(F)C1	ZINC000457927076	429550118	/nfs/dbraw/zinc/55/01/18/429550118.db2.gz	LVBMSTOKGLTRPO-LBPRGKRZSA-N	0	3	314.282	2.872	20	30		DFEDHN
Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1C#N	ZINC000428794860	429553594	/nfs/dbraw/zinc/55/35/94/429553594.db2.gz	OTZJXUBZQBAIMW-SFHVURJKSA-N	0	3	318.380	2.787	20	30		DFEDHN
C=CCCCCCN1CCC[C@](O)(c2cn(C(C)C)nn2)C1	ZINC000367025524	429559635	/nfs/dbraw/zinc/55/96/35/429559635.db2.gz	AZTUUTQDQWEWKJ-QGZVFWFLSA-N	0	3	306.454	2.889	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000450065354	429563896	/nfs/dbraw/zinc/56/38/96/429563896.db2.gz	ITRZKAQHAKLHBY-HOTGVXAUSA-N	0	3	322.493	2.937	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)cc1Cl	ZINC000367066581	429569212	/nfs/dbraw/zinc/56/92/12/429569212.db2.gz	JUHNNADZDVGPIL-GLZQIGESSA-N	0	3	317.820	2.919	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000522138467	429581963	/nfs/dbraw/zinc/58/19/63/429581963.db2.gz	NEYJAOFJSQMJRN-CABZTGNLSA-N	0	3	312.200	2.626	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1Cl)c1cccs1	ZINC000429210083	429586569	/nfs/dbraw/zinc/58/65/69/429586569.db2.gz	GSOGAISJHCLFAH-NSHDSACASA-N	0	3	306.822	3.383	20	30		DFEDHN
CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000366922027	429540471	/nfs/dbraw/zinc/54/04/71/429540471.db2.gz	FOXZLWXJMRCCKS-KSSFIOAISA-N	0	3	324.428	2.958	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1	ZINC000458311606	429618756	/nfs/dbraw/zinc/61/87/56/429618756.db2.gz	AUYMPCVWZAQBIU-ROUUACIJSA-N	0	3	317.477	2.857	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCCC12CCN(C)CC2	ZINC000367351579	429628667	/nfs/dbraw/zinc/62/86/67/429628667.db2.gz	LLLIGQOPFKUERU-UHFFFAOYSA-N	0	3	312.417	2.959	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000367360703	429630611	/nfs/dbraw/zinc/63/06/11/429630611.db2.gz	JZEUJWSXHUXIGZ-LJQANCHMSA-N	0	3	310.441	2.892	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000367360702	429631171	/nfs/dbraw/zinc/63/11/71/429631171.db2.gz	JZEUJWSXHUXIGZ-IBGZPJMESA-N	0	3	310.441	2.892	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450274548	429590755	/nfs/dbraw/zinc/59/07/55/429590755.db2.gz	KLVZLDCRYWVASF-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCCCC(C)(C)C#N)O1	ZINC000367226863	429602363	/nfs/dbraw/zinc/60/23/63/429602363.db2.gz	VLQYSERQMAQWHH-WCVJEAGWSA-N	0	3	322.449	2.890	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1C#N	ZINC000367243824	429603172	/nfs/dbraw/zinc/60/31/72/429603172.db2.gz	MUZLQOADHGTGEY-SFHVURJKSA-N	0	3	311.429	2.957	20	30		DFEDHN
C#CC[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367533215	429666357	/nfs/dbraw/zinc/66/63/57/429666357.db2.gz	IXTNBAMMSIUIDR-HOCLYGCPSA-N	0	3	320.383	2.672	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000493185639	429707482	/nfs/dbraw/zinc/70/74/82/429707482.db2.gz	GJNYLQRFVFZVKX-VMQKMQCXSA-N	0	3	323.440	2.760	20	30		DFEDHN
C=CC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000476651226	429717413	/nfs/dbraw/zinc/71/74/13/429717413.db2.gz	DHZOFNQPZXMUDE-GOSISDBHSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=C(CNC(=O)NCCN1CCC(C)CC1)c1ccccc1	ZINC000479399169	429719883	/nfs/dbraw/zinc/71/98/83/429719883.db2.gz	XZHSDDGXSYNXMF-UHFFFAOYSA-N	0	3	301.434	2.731	20	30		DFEDHN
CC(C#N)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1	ZINC000493244745	429720148	/nfs/dbraw/zinc/72/01/48/429720148.db2.gz	PXVYQCKCDBAHRN-LBPRGKRZSA-N	0	3	317.389	2.852	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCCC[C@H]1C	ZINC000479336595	429720234	/nfs/dbraw/zinc/72/02/34/429720234.db2.gz	AAULDQYPAOBWGN-CABCVRRESA-N	0	3	308.470	2.878	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](Cc2ccccc2)C1	ZINC000527298416	429742893	/nfs/dbraw/zinc/74/28/93/429742893.db2.gz	UBLUXHBWDFXXLE-RDJZCZTQSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(C(=O)OC)CC1	ZINC000450984774	429744435	/nfs/dbraw/zinc/74/44/35/429744435.db2.gz	YBESSDJREJJVMJ-UHFFFAOYSA-N	0	3	305.422	2.795	20	30		DFEDHN
N#Cc1ncccc1NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000368183456	429804512	/nfs/dbraw/zinc/80/45/12/429804512.db2.gz	GYKCCGVMRMUJAU-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
CC[C@@]1(CO)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000451063677	429759606	/nfs/dbraw/zinc/75/96/06/429759606.db2.gz	QFYBAQRUIJRBEE-IEBWSBKVSA-N	0	3	314.429	2.770	20	30		DFEDHN
C#Cc1ccc(CN2CCCC[C@@H]2Cn2nc(C)nc2C)cc1	ZINC000368014904	429765993	/nfs/dbraw/zinc/76/59/93/429765993.db2.gz	HOWUYYLXOUOAHL-LJQANCHMSA-N	0	3	308.429	2.931	20	30		DFEDHN
C#Cc1ccc(CN2CCC(NC(=O)c3occc3C)CC2)cc1	ZINC000368019140	429768433	/nfs/dbraw/zinc/76/84/33/429768433.db2.gz	RKZDVVIHIIAPSV-UHFFFAOYSA-N	0	3	322.408	2.964	20	30		DFEDHN
C[C@@]1(CNCc2ccc(C#N)s2)COc2ccccc2O1	ZINC000527734513	429789247	/nfs/dbraw/zinc/78/92/47/429789247.db2.gz	JZPDBNRDRHHTFB-MRXNPFEDSA-N	0	3	300.383	2.939	20	30		DFEDHN
CC[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1	ZINC000278846101	276533072	/nfs/dbraw/zinc/53/30/72/276533072.db2.gz	VDZGHTBVLJQGOD-DLBZAZTESA-N	0	3	316.401	2.521	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000451390459	429821880	/nfs/dbraw/zinc/82/18/80/429821880.db2.gz	DCFNJUUWNCFQOU-JQHSSLGASA-N	0	3	320.477	2.881	20	30		DFEDHN
N#Cc1nc(NC[C@H]2CCN2C2CCCCC2)ccc1Cl	ZINC000528113706	429849359	/nfs/dbraw/zinc/84/93/59/429849359.db2.gz	JDQQWMOANONMAB-CYBMUJFWSA-N	0	3	304.825	3.426	20	30		DFEDHN
CC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCO1	ZINC000248626185	276591228	/nfs/dbraw/zinc/59/12/28/276591228.db2.gz	UYYQWVKJXRBYMT-BYCMXARLSA-N	0	3	319.405	2.642	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](CC(C)C)c1ccccc1	ZINC000451594727	429859806	/nfs/dbraw/zinc/85/98/06/429859806.db2.gz	BVGOOGQJPIDHQO-SQNIBIBYSA-N	0	3	316.445	2.823	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	ZINC000451610992	429861177	/nfs/dbraw/zinc/86/11/77/429861177.db2.gz	VPUCUPKFVGSWBT-KFWWJZLASA-N	0	3	324.783	2.518	20	30		DFEDHN
C=C[C@@H](CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000494537283	429879053	/nfs/dbraw/zinc/87/90/53/429879053.db2.gz	UAZSMIAHSFANTA-SZMVWBNQSA-N	0	3	316.445	2.524	20	30		DFEDHN
CC[C@H]1CN(c2ccccc2)CCN1C[C@H](O)CC1(C#N)CC1	ZINC000528453290	429890461	/nfs/dbraw/zinc/89/04/61/429890461.db2.gz	ZTYFRPBKASVXIZ-FUHWJXTLSA-N	0	3	313.445	2.642	20	30		DFEDHN
C[C@H]1CC2(CCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528477801	429891796	/nfs/dbraw/zinc/89/17/96/429891796.db2.gz	RCCNIKUEXWDOHT-HNNXBMFYSA-N	0	3	322.408	2.551	20	30		DFEDHN
CC1C[C@H]2CC[C@@H](C1)N2CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528561823	429898943	/nfs/dbraw/zinc/89/89/43/429898943.db2.gz	SZNLLIBSIFEXCL-MQVJKMGUSA-N	0	3	322.408	2.549	20	30		DFEDHN
N#Cc1nccnc1NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000368877862	429900170	/nfs/dbraw/zinc/90/01/70/429900170.db2.gz	XNNSGCKSYNJVPH-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
COCCC1CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000528573968	429900333	/nfs/dbraw/zinc/90/03/33/429900333.db2.gz	MFLMNIAIFSQRFW-UHFFFAOYSA-N	0	3	318.417	2.694	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N1CCC(c2c[nH]c3cc(C)ccc32)CC1	ZINC000368979358	429905908	/nfs/dbraw/zinc/90/59/08/429905908.db2.gz	LEJWRJWGDIUYCV-HNNXBMFYSA-N	0	3	323.440	2.794	20	30		DFEDHN
COc1ccc([C@@H](NC[C@H](O)c2ccc(C#N)cc2)C2CC2)cn1	ZINC000528844075	429919491	/nfs/dbraw/zinc/91/94/91/429919491.db2.gz	AEINIGSQTWAXMT-HKUYNNGSSA-N	0	3	323.396	2.736	20	30		DFEDHN
Cc1nccn1CCCCN1CCC(C#N)(c2ccccn2)CC1	ZINC000369216880	429919898	/nfs/dbraw/zinc/91/98/98/429919898.db2.gz	YHXGTMGNNQEVBT-UHFFFAOYSA-N	0	3	323.444	2.924	20	30		DFEDHN
CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CCCCC1	ZINC000528346347	429876793	/nfs/dbraw/zinc/87/67/93/429876793.db2.gz	ZHJLCRBERQXUMX-UHFFFAOYSA-N	0	3	310.397	2.551	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)Nc1cnn(CCN(C)C)c1	ZINC000639748511	429967616	/nfs/dbraw/zinc/96/76/16/429967616.db2.gz	DIKQGZHPCBLWAN-UHFFFAOYSA-N	0	3	307.442	2.559	20	30		DFEDHN
N#CCC[C@H](C#N)CNC1CCC(Oc2ncccc2C#N)CC1	ZINC000573673453	429972480	/nfs/dbraw/zinc/97/24/80/429972480.db2.gz	DVNMNNJLYKNXPB-ODIFPOPNSA-N	0	3	323.400	2.676	20	30		DFEDHN
C=C(CC)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1	ZINC000639804883	429987633	/nfs/dbraw/zinc/98/76/33/429987633.db2.gz	JZUNPLDDNWACHE-UHFFFAOYSA-N	0	3	317.433	2.593	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000573207229	429935180	/nfs/dbraw/zinc/93/51/80/429935180.db2.gz	BSAINKVCERWSCN-PBHICJAKSA-N	0	3	317.396	2.979	20	30		DFEDHN
CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528919588	429935655	/nfs/dbraw/zinc/93/56/55/429935655.db2.gz	PVGRSOOMQCETKV-SWLSCSKDSA-N	0	3	322.368	2.951	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CNC2(CO)Cc3ccccc3C2)cc1	ZINC000369377362	429935808	/nfs/dbraw/zinc/93/58/08/429935808.db2.gz	KCNNNDRCGFUHQW-HNNXBMFYSA-N	0	3	322.408	2.597	20	30		DFEDHN
COC(=O)CCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000573285206	429940767	/nfs/dbraw/zinc/94/07/67/429940767.db2.gz	LQYDZROQZCRQMN-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C[C@H]2CCOC2)C1	ZINC000369420309	429942109	/nfs/dbraw/zinc/94/21/09/429942109.db2.gz	AFLVZKACPNLVRV-DLBZAZTESA-N	0	3	308.466	2.550	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C[C@H]2CCOC2)C1	ZINC000369426051	429944206	/nfs/dbraw/zinc/94/42/06/429944206.db2.gz	LISLLAHVXGWAPB-RCCFBDPRSA-N	0	3	322.493	2.938	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccnc(C#N)c2)[C@H]1c1cccs1	ZINC000557585387	429946913	/nfs/dbraw/zinc/94/69/13/429946913.db2.gz	JCNIKEAMCIPKDY-GUYCJALGSA-N	0	3	312.442	2.932	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1	ZINC000637117737	429986543	/nfs/dbraw/zinc/98/65/43/429986543.db2.gz	CACLJUDEPNPCCG-NXOAAHMSSA-N	0	3	323.481	2.624	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000574403753	430038704	/nfs/dbraw/zinc/03/87/04/430038704.db2.gz	FSVXMFMXRLYBKO-VQIMIIECSA-N	0	3	316.445	2.748	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1	ZINC000529635021	430044196	/nfs/dbraw/zinc/04/41/96/430044196.db2.gz	JBRXMNDSGPRMPU-GFCCVEGCSA-N	0	3	316.405	2.668	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000559075129	429998857	/nfs/dbraw/zinc/99/88/57/429998857.db2.gz	LDUGTCFTZTUKQK-IAGOWNOFSA-N	0	3	315.465	2.664	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCN(c3ncccc3F)C2)ccc1C#N	ZINC000559823446	430014918	/nfs/dbraw/zinc/01/49/18/430014918.db2.gz	WRNFPGJPVLBQRS-MRXNPFEDSA-N	0	3	310.376	2.769	20	30		DFEDHN
CC1=CCN(CCNc2cccc(-n3cccn3)c2C#N)CC1	ZINC000574219519	430024068	/nfs/dbraw/zinc/02/40/68/430024068.db2.gz	VJGPWPGBQUHFAU-UHFFFAOYSA-N	0	3	307.401	2.808	20	30		DFEDHN
N#C[C@@]1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC12CCCC2	ZINC000574245065	430024238	/nfs/dbraw/zinc/02/42/38/430024238.db2.gz	MZNGGSBXUCOCFJ-RDTXWAMCSA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1	ZINC000530026223	430096205	/nfs/dbraw/zinc/09/62/05/430096205.db2.gz	AWUDAENMOOPLOX-QGZVFWFLSA-N	0	3	314.429	2.998	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNc2cc(C#N)ncn2)N(C)C)cc1	ZINC000561696777	430097306	/nfs/dbraw/zinc/09/73/06/430097306.db2.gz	GONBTYRDZDYSOX-GOSISDBHSA-N	0	3	323.444	3.262	20	30		DFEDHN
C[C@]1(CO)CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000576197592	430102411	/nfs/dbraw/zinc/10/24/11/430102411.db2.gz	KUCSCTYCLBXREX-OAHLLOKOSA-N	0	3	313.319	2.784	20	30		DFEDHN
C=C(C)CN(CC)C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637670795	430103747	/nfs/dbraw/zinc/10/37/47/430103747.db2.gz	SARUXLSFBXEHGB-UHFFFAOYSA-N	0	3	305.426	2.580	20	30		DFEDHN
C[C@@](C#N)(NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1	ZINC000562096348	430108567	/nfs/dbraw/zinc/10/85/67/430108567.db2.gz	RBVGGKDBPVVJNB-WMZOPIPTSA-N	0	3	303.450	2.840	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC[C@H](C#N)CCC#N)C1CC1	ZINC000577004795	430110269	/nfs/dbraw/zinc/11/02/69/430110269.db2.gz	LWLZMLVSKMJOIN-PKOBYXMFSA-N	0	3	310.445	2.930	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000529714829	430056843	/nfs/dbraw/zinc/05/68/43/430056843.db2.gz	PWTUJUJQQRGCRH-BZSNNMDCSA-N	0	3	320.477	2.881	20	30		DFEDHN
CC[C@H](C(=O)Nc1ccc(COC)c(C#N)c1)N(CC)CC	ZINC000529816776	430071171	/nfs/dbraw/zinc/07/11/71/430071171.db2.gz	PGIVNCKCTNJCBJ-MRXNPFEDSA-N	0	3	303.406	2.764	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccco3)C2)cc1	ZINC000529862534	430079397	/nfs/dbraw/zinc/07/93/97/430079397.db2.gz	NGTVVHUPPOUHAL-QGZVFWFLSA-N	0	3	319.364	2.535	20	30		DFEDHN
O[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(C(F)(F)F)cc1)C2	ZINC000640076519	430082369	/nfs/dbraw/zinc/08/23/69/430082369.db2.gz	HGBWRARHVKKUGI-KBMXLJTQSA-N	0	3	309.331	2.902	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21	ZINC000532098079	430150250	/nfs/dbraw/zinc/15/02/50/430150250.db2.gz	HFBLYADXWURCBZ-QZWWFDLISA-N	0	3	305.466	2.895	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(Nc3ccccn3)CC2)c1	ZINC000535574371	430163367	/nfs/dbraw/zinc/16/33/67/430163367.db2.gz	MPLBPJPTBMDGJG-UHFFFAOYSA-N	0	3	322.412	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2F)CC1	ZINC000640419601	430169299	/nfs/dbraw/zinc/16/92/99/430169299.db2.gz	WVIDOVMSNCMBTD-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000581013651	430171263	/nfs/dbraw/zinc/17/12/63/430171263.db2.gz	JIUXPPJMPVRBJB-QGZVFWFLSA-N	0	3	317.389	2.839	20	30		DFEDHN
Cc1ccc(C[C@@H](C)NCc2cnc3c(C#N)cnn3c2)c(C)c1	ZINC000581132502	430180100	/nfs/dbraw/zinc/18/01/00/430180100.db2.gz	KTLKOWLETGGADE-OAHLLOKOSA-N	0	3	319.412	2.939	20	30		DFEDHN
C=CCCCCCNC(=O)NCC1(SC)CCN(C)CC1	ZINC000577961635	430118502	/nfs/dbraw/zinc/11/85/02/430118502.db2.gz	YWZQXPKFBBQLSS-UHFFFAOYSA-N	0	3	313.511	2.859	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NC[C@@H](C#N)CCC#N)CC1	ZINC000562450895	430133695	/nfs/dbraw/zinc/13/36/95/430133695.db2.gz	YXLDAASVHTWZED-HZPDHXFCSA-N	0	3	311.433	2.640	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000562442895	430133913	/nfs/dbraw/zinc/13/39/13/430133913.db2.gz	AIEZGLXUMDUBQT-GUYCJALGSA-N	0	3	311.429	2.856	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1C1CCC1	ZINC000563197664	430180435	/nfs/dbraw/zinc/18/04/35/430180435.db2.gz	OCRJDYZEJPVNDJ-MSOLQXFVSA-N	0	3	312.413	2.786	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@@H]2C1	ZINC000272319636	277174689	/nfs/dbraw/zinc/17/46/89/277174689.db2.gz	UCYYBKNSZLZXDD-XHDPSFHLSA-N	0	3	318.808	2.770	20	30		DFEDHN
CCc1ccc([C@H](C#N)NC(=O)CCN(C)c2ccncc2)cc1	ZINC000564516197	430196193	/nfs/dbraw/zinc/19/61/93/430196193.db2.gz	QWBOVLGVTLHQHD-SFHVURJKSA-N	0	3	322.412	2.851	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN2CCC(CC#N)CC2)c(C)c1	ZINC000541951416	430196432	/nfs/dbraw/zinc/19/64/32/430196432.db2.gz	DQLXKQKBGBXFCN-KRWDZBQOSA-N	0	3	302.418	2.669	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000564725228	430197023	/nfs/dbraw/zinc/19/70/23/430197023.db2.gz	RQFYRDMZNMJKQR-CVEARBPZSA-N	0	3	320.481	2.832	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(CCC#N)CC1	ZINC000566147979	430244372	/nfs/dbraw/zinc/24/43/72/430244372.db2.gz	LZSAOBIKUDMJBV-HZPDHXFCSA-N	0	3	320.481	2.975	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)Cn2cc([C@@H](N)CCC)nn2)c1C	ZINC000640799314	430261202	/nfs/dbraw/zinc/26/12/02/430261202.db2.gz	DHNNOJUDDVBBQK-HNNXBMFYSA-N	0	3	315.421	2.565	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(C)C	ZINC000567428932	430284118	/nfs/dbraw/zinc/28/41/18/430284118.db2.gz	YODBICDWYAKSCY-DAYGRLMNSA-N	0	3	323.481	2.614	20	30		DFEDHN
C[C@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)cc1Cl	ZINC000582822906	430337987	/nfs/dbraw/zinc/33/79/87/430337987.db2.gz	IJSWPRIQEAHPAD-STQMWFEESA-N	0	3	307.825	2.583	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000547416494	430393241	/nfs/dbraw/zinc/39/32/41/430393241.db2.gz	CXHUGNRXQQFPBN-JSGCOSHPSA-N	0	3	316.405	2.513	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000277053922	277644084	/nfs/dbraw/zinc/64/40/84/277644084.db2.gz	VEQAWTMGRAOKFJ-NILFDRSVSA-N	0	3	319.405	2.642	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@@H](c4ccccc4)C3)cnc12	ZINC000569244860	430435206	/nfs/dbraw/zinc/43/52/06/430435206.db2.gz	ANTOVOJMHOAKBD-QGZVFWFLSA-N	0	3	317.396	2.981	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C	ZINC000641759581	430464258	/nfs/dbraw/zinc/46/42/58/430464258.db2.gz	GRDOQWMUVFTGSY-SFHVURJKSA-N	0	3	313.445	2.965	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H](CO)CC#CC)cc1OC	ZINC000641767239	430467021	/nfs/dbraw/zinc/46/70/21/430467021.db2.gz	HTLQAKREXNIBGX-AWEZNQCLSA-N	0	3	323.820	2.777	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1	ZINC000641766906	430467460	/nfs/dbraw/zinc/46/74/60/430467460.db2.gz	DNZZWZVJEVGNIH-LBPRGKRZSA-N	0	3	319.298	2.631	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1	ZINC000641769648	430467850	/nfs/dbraw/zinc/46/78/50/430467850.db2.gz	XJUAOQMYPSASQG-CYBMUJFWSA-N	0	3	311.809	2.611	20	30		DFEDHN
CC[C@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000584346585	430475872	/nfs/dbraw/zinc/47/58/72/430475872.db2.gz	QRENQQHGSDMXNT-IAGOWNOFSA-N	0	3	320.458	2.746	20	30		DFEDHN
CCc1ccc(CN(C)C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000599255954	430528049	/nfs/dbraw/zinc/52/80/49/430528049.db2.gz	GGTPVMBHUNBOMF-LJQANCHMSA-N	0	3	324.424	2.992	20	30		DFEDHN
Cc1ccc(SCCNCc2cnc3c(C#N)cnn3c2)cc1	ZINC000549724252	430530526	/nfs/dbraw/zinc/53/05/26/430530526.db2.gz	LCMLTZPILNLISN-UHFFFAOYSA-N	0	3	323.425	2.791	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC(C3CC3)C2)c(OC)c1	ZINC000642924447	430536127	/nfs/dbraw/zinc/53/61/27/430536127.db2.gz	QXNMKYLLPOAMBE-KRWDZBQOSA-N	0	3	317.429	2.505	20	30		DFEDHN
N#Cc1cnn2cc(CNCCc3ccc(Cl)s3)cnc12	ZINC000550156601	430539882	/nfs/dbraw/zinc/53/98/82/430539882.db2.gz	DEVCFNKFVNUMQV-UHFFFAOYSA-N	0	3	317.805	2.648	20	30		DFEDHN
N#Cc1cccc(CCNC(=O)[C@@H]2CCCN2C2CCCC2)c1	ZINC000570745218	430573449	/nfs/dbraw/zinc/57/34/49/430573449.db2.gz	LKNNVDMKKSYAFR-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNc2ccncc2C#N)N(C)C)cc1	ZINC000571798631	430653201	/nfs/dbraw/zinc/65/32/01/430653201.db2.gz	VCMQZXPIMNRIHW-IBGZPJMESA-N	0	3	324.428	2.877	20	30		DFEDHN
Cc1nc(NCC(C)(C)CC#N)cc(NCC(C)(C)CC#N)n1	ZINC000571293866	430618071	/nfs/dbraw/zinc/61/80/71/430618071.db2.gz	UFOGVORZPLPBSF-UHFFFAOYSA-N	0	3	314.437	3.489	20	30		DFEDHN
CCN(C[C@@H]1CCCN1CC)C(=O)Cc1c(F)cccc1C#N	ZINC000571473494	430629944	/nfs/dbraw/zinc/62/99/44/430629944.db2.gz	INJPKOLWJBNJNN-HNNXBMFYSA-N	0	3	317.408	2.573	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@H]1CCCN(Cc2cccs2)C1	ZINC000554487860	430638360	/nfs/dbraw/zinc/63/83/60/430638360.db2.gz	VYAGLSCAFJRFAH-HZPDHXFCSA-N	0	3	316.474	2.993	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000288187082	277973489	/nfs/dbraw/zinc/97/34/89/277973489.db2.gz	BVQZYIAARMQTSR-DGCLKSJQSA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](CC2CC2)C1	ZINC000555696583	430672069	/nfs/dbraw/zinc/67/20/69/430672069.db2.gz	HMGOZQSTUBWMFA-ZBFHGGJFSA-N	0	3	303.450	2.840	20	30		DFEDHN
CO[C@@](C)([C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1	ZINC000572164905	430674890	/nfs/dbraw/zinc/67/48/90/430674890.db2.gz	DCVPWVYYZVTKHC-BZNIZROVSA-N	0	3	303.362	2.760	20	30		DFEDHN
N#CC(C(=O)c1cn2c(n1)CCCC2)c1nc2ccccc2[nH]1	ZINC000555940741	430676352	/nfs/dbraw/zinc/67/63/52/430676352.db2.gz	DYORRYRVQOIARD-NSHDSACASA-N	0	3	305.341	2.586	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000572236866	430677511	/nfs/dbraw/zinc/67/75/11/430677511.db2.gz	CMUYVEJAPPLPDS-GOSISDBHSA-N	0	3	310.397	2.987	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000572325108	430681459	/nfs/dbraw/zinc/68/14/59/430681459.db2.gz	VDRTVXWBSLFWMC-KRWDZBQOSA-N	0	3	314.429	2.696	20	30		DFEDHN
N#Cc1c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cn2ccccc12	ZINC000556289803	430682656	/nfs/dbraw/zinc/68/26/56/430682656.db2.gz	UUJVZTOERWLRKB-KVSKMBFKSA-N	0	3	309.413	2.936	20	30		DFEDHN
C[C@H]1CCN(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000573017369	430699250	/nfs/dbraw/zinc/69/92/50/430699250.db2.gz	CUFZTPXJPDRCPS-ZDUSSCGKSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1COC(C)(C)C1)C(C)C	ZINC000661423839	430710958	/nfs/dbraw/zinc/71/09/58/430710958.db2.gz	NPVJMTCPLLMOHD-HZPDHXFCSA-N	0	3	323.481	2.552	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1CCCN(CC)[C@@H]1c1cnn(C)c1	ZINC000661521272	430747752	/nfs/dbraw/zinc/74/77/52/430747752.db2.gz	CSYDFKONEITEIF-LNLFQRSKSA-N	0	3	316.493	2.927	20	30		DFEDHN
C=CCN1CCC(NC(=O)COC[C@H](C)c2ccccc2)CC1	ZINC000651273342	430754136	/nfs/dbraw/zinc/75/41/36/430754136.db2.gz	KAQUPOAOQWVROY-INIZCTEOSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000661571008	430762462	/nfs/dbraw/zinc/76/24/62/430762462.db2.gz	PAFFPRSXHLLVEZ-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C(C)(C)C	ZINC000661755504	430830962	/nfs/dbraw/zinc/83/09/62/430830962.db2.gz	SCHBOXMLDZHCLB-INIZCTEOSA-N	0	3	305.418	2.915	20	30		DFEDHN
CN1C[C@@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1	ZINC000644732864	430804444	/nfs/dbraw/zinc/80/44/44/430804444.db2.gz	HCGOHGBNHCWAQU-GOEBONIOSA-N	0	3	324.346	2.573	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NCc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000651673682	430845612	/nfs/dbraw/zinc/84/56/12/430845612.db2.gz	SZWIRSHDBHBTAS-ZBFHGGJFSA-N	0	3	322.474	2.771	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nc(-c3nc[n-]n3)no2)C(C)C)C1	ZINC000651739071	430862549	/nfs/dbraw/zinc/86/25/49/430862549.db2.gz	HZIHXMQSNZMBJS-UPJWGTAASA-N	0	3	316.409	2.886	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nc(-c3nc[n-]n3)no2)C(C)C)C1	ZINC000651739070	430863497	/nfs/dbraw/zinc/86/34/97/430863497.db2.gz	HZIHXMQSNZMBJS-JHJVBQTASA-N	0	3	316.409	2.886	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)c(OC)cc1OC	ZINC000651792982	430877734	/nfs/dbraw/zinc/87/77/34/430877734.db2.gz	RHMBEYKYDFSKNH-YVEFUNNKSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000665361437	430910922	/nfs/dbraw/zinc/91/09/22/430910922.db2.gz	PGZXJWIPNRHDFM-HNNXBMFYSA-N	0	3	319.449	2.893	20	30		DFEDHN
C=CCc1cc(CN2CCC([C@H](C)CO)CC2)cc(OC)c1O	ZINC000651956636	430924915	/nfs/dbraw/zinc/92/49/15/430924915.db2.gz	BOEKDHYBERCKRM-CQSZACIVSA-N	0	3	319.445	2.970	20	30		DFEDHN
C=CCN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@H](C)COC	ZINC000659022046	430941150	/nfs/dbraw/zinc/94/11/50/430941150.db2.gz	LGGHRPFNYBSGRI-GFCCVEGCSA-N	0	3	321.396	2.526	20	30		DFEDHN
C=CC[C@H](CO)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1	ZINC000652188979	430983946	/nfs/dbraw/zinc/98/39/46/430983946.db2.gz	ZETWCTDTLQUXHD-ZIAGYGMSSA-N	0	3	309.406	2.690	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(c3ccccc3C)CC2)CC1	ZINC000645266093	430955305	/nfs/dbraw/zinc/95/53/05/430955305.db2.gz	LWODYNJCKTZNSH-UHFFFAOYSA-N	0	3	313.445	2.934	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)C1(N)Cc2ccccc2C1	ZINC000649266879	431050732	/nfs/dbraw/zinc/05/07/32/431050732.db2.gz	URWFFIJMICHZJK-UHFFFAOYSA-N	0	3	312.438	2.759	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CN(CC)C[C@@H]1C	ZINC000665727108	431015988	/nfs/dbraw/zinc/01/59/88/431015988.db2.gz	SDFRRDWFNSXKRN-JQHSSLGASA-N	0	3	315.461	2.813	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CN(CC)C[C@@H]1C	ZINC000665727107	431016432	/nfs/dbraw/zinc/01/64/32/431016432.db2.gz	SDFRRDWFNSXKRN-CGTJXYLNSA-N	0	3	315.461	2.813	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)[C@H]1CCOC1	ZINC000659848585	431142260	/nfs/dbraw/zinc/14/22/60/431142260.db2.gz	FWSLAVGQFUPFBZ-FUHWJXTLSA-N	0	3	305.418	2.735	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187950829	279324683	/nfs/dbraw/zinc/32/46/83/279324683.db2.gz	KIBDAOPRSFBUDF-KRWDZBQOSA-N	0	3	311.429	2.533	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCN(C)C)n1	ZINC000666185628	431144106	/nfs/dbraw/zinc/14/41/06/431144106.db2.gz	QGGZIKMETIBGNN-LSDHHAIUSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CC1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000659916833	431189594	/nfs/dbraw/zinc/18/95/94/431189594.db2.gz	ORZOOKDQBDSPLL-SFHVURJKSA-N	0	3	314.429	2.694	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)CCN1CCCCC1	ZINC000652987892	431216473	/nfs/dbraw/zinc/21/64/73/431216473.db2.gz	AXUUWMVNVKNUDZ-UHFFFAOYSA-N	0	3	302.418	2.809	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](CN)C(F)(F)F	ZINC000655929655	431223537	/nfs/dbraw/zinc/22/35/37/431223537.db2.gz	UPQSWNQVNZFBFS-ZDUSSCGKSA-N	0	3	315.339	2.664	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000646194875	431224293	/nfs/dbraw/zinc/22/42/93/431224293.db2.gz	FUYZKSDPJMBWDQ-INIZCTEOSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=CCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649750241	431273747	/nfs/dbraw/zinc/27/37/47/431273747.db2.gz	IKXUHOLREZOKFG-RTBURBONSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000660495797	431460585	/nfs/dbraw/zinc/46/05/85/431460585.db2.gz	LFFVEROTPKOJIK-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCCNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000660511931	431468496	/nfs/dbraw/zinc/46/84/96/431468496.db2.gz	RCKCVOQCUJFGJH-UHFFFAOYSA-N	0	3	307.463	2.835	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCC[C@H](C)C1	ZINC000660642500	431526117	/nfs/dbraw/zinc/52/61/17/431526117.db2.gz	RQKJBWWKWCZRRR-QSPRXWTASA-N	0	3	305.466	2.999	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)COCC2CC2)CC1	ZINC000660597978	431508798	/nfs/dbraw/zinc/50/87/98/431508798.db2.gz	UUZVCPHWTTXCNY-INIZCTEOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccc(C)cc3C2)CC1	ZINC000660707063	431558549	/nfs/dbraw/zinc/55/85/49/431558549.db2.gz	LJZWCWLPUCJTHS-UHFFFAOYSA-N	0	3	313.445	2.713	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000647580826	431632307	/nfs/dbraw/zinc/63/23/07/431632307.db2.gz	VTKGWPRPBXPGNL-MRXNPFEDSA-N	0	3	322.474	2.720	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000661039323	431708077	/nfs/dbraw/zinc/70/80/77/431708077.db2.gz	BGGYYABYFULYOI-QGZVFWFLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000654308682	431734251	/nfs/dbraw/zinc/73/42/51/431734251.db2.gz	QAZIYWSHOFBUOI-ROUUACIJSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1Cc1ccccc1	ZINC000661119390	431738533	/nfs/dbraw/zinc/73/85/33/431738533.db2.gz	RVKCKVJLCZFRLV-IRXDYDNUSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)nn1C	ZINC000657455136	431762182	/nfs/dbraw/zinc/76/21/82/431762182.db2.gz	PZHSSTHZJKCATF-GXFFZTMASA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccc(C)cc1C)[C@@H](C)COC	ZINC000661245783	431795336	/nfs/dbraw/zinc/79/53/36/431795336.db2.gz	CZRHXRDNYIRZRM-DLBZAZTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@H]2CCOC2)cc1	ZINC000657483364	431776873	/nfs/dbraw/zinc/77/68/73/431776873.db2.gz	PWMXMFXRFVHZDP-KSZLIROESA-N	0	3	303.402	2.678	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCC#Cc2cccc(Cl)c2)C1	ZINC000661214755	431781147	/nfs/dbraw/zinc/78/11/47/431781147.db2.gz	AAJZTQCZOWCECN-NXHRZFHOSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1	ZINC000661379385	431837022	/nfs/dbraw/zinc/83/70/22/431837022.db2.gz	XSUVPTCSZGSQBX-NVXWUHKLSA-N	0	3	314.429	2.915	20	30		DFEDHN
C=CC[C@H]1CCCN([C@H](C)C(=O)NCc2cccc(OC)c2)C1	ZINC000661378560	431837171	/nfs/dbraw/zinc/83/71/71/431837171.db2.gz	JAZRGKKDBKHEHQ-CVEARBPZSA-N	0	3	316.445	2.988	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(NC[C@@H](O)CN3CCCCC3)c2c1	ZINC000291684046	281165637	/nfs/dbraw/zinc/16/56/37/281165637.db2.gz	RSCGZWHNLHZCOK-MRXNPFEDSA-N	0	3	324.428	2.674	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(C#N)ccn1)N(C)C	ZINC000357851345	281360726	/nfs/dbraw/zinc/36/07/26/281360726.db2.gz	MHIPZHLUGITLKI-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@H]1CN(c2ncc(C#N)cc2Cl)CCN(C2CCC2)C1	ZINC000292323278	300302193	/nfs/dbraw/zinc/30/21/93/300302193.db2.gz	OWKNXIHPEYHBAK-GFCCVEGCSA-N	0	3	304.825	2.917	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC(=O)N(c3ccccc3)C1)CC2	ZINC000516896119	300367153	/nfs/dbraw/zinc/36/71/53/300367153.db2.gz	AWYPXRLTHMXREU-LPHOPBHVSA-N	0	3	317.392	2.941	20	30		DFEDHN
C[C@H](NCCC1CCS(=O)(=O)CC1)c1ccc(C#N)cc1F	ZINC000541904709	301403621	/nfs/dbraw/zinc/40/36/21/301403621.db2.gz	XPTDHCNKUCJUBO-LBPRGKRZSA-N	0	3	324.421	2.563	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Cl	ZINC000548303902	301577582	/nfs/dbraw/zinc/57/75/82/301577582.db2.gz	DRYCGFTVPWFULJ-OAHLLOKOSA-N	0	3	317.820	2.912	20	30		DFEDHN
N#Cc1cccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1	ZINC000548666468	301604295	/nfs/dbraw/zinc/60/42/95/301604295.db2.gz	PJNMMQDPVMZXON-CVEARBPZSA-N	0	3	324.384	2.829	20	30		DFEDHN
CCNc1ccc(C#N)cc1NC(=O)CCN(C)c1ccncc1	ZINC000552109192	301681207	/nfs/dbraw/zinc/68/12/07/301681207.db2.gz	JMJMVGJPHVUFSN-UHFFFAOYSA-N	0	3	323.400	2.850	20	30		DFEDHN
Cc1cccnc1C(C)(C)CNCc1cnc2ccc(C#N)cn12	ZINC000558493156	301850593	/nfs/dbraw/zinc/85/05/93/301850593.db2.gz	UAQQOINBMZEQLY-UHFFFAOYSA-N	0	3	319.412	2.977	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@@H](c4ccc(F)cc4)C3)cnc12	ZINC000563154360	302041555	/nfs/dbraw/zinc/04/15/55/302041555.db2.gz	MBUVQJWHTSNJCJ-OAHLLOKOSA-N	0	3	321.359	2.730	20	30		DFEDHN
Cc1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)no1	ZINC000563604636	302086500	/nfs/dbraw/zinc/08/65/00/302086500.db2.gz	LKILJGMPDGDMOJ-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
N#Cc1csc(CN[C@H]2CCOC3(CCSCC3)C2)n1	ZINC000564410018	302132919	/nfs/dbraw/zinc/13/29/19/302132919.db2.gz	GNLZYMHCFDNXFA-NSHDSACASA-N	0	3	309.460	2.549	20	30		DFEDHN
CC(C)(C)C1CC(NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000564652127	302147587	/nfs/dbraw/zinc/14/75/87/302147587.db2.gz	ULGKLRJMDSANBX-UHFFFAOYSA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1cnn2cc(CNC3(Cc4ccc(F)cc4)CC3)cnc12	ZINC000564985353	302179743	/nfs/dbraw/zinc/17/97/43/302179743.db2.gz	HFJHPEBAFZFELB-UHFFFAOYSA-N	0	3	321.359	2.605	20	30		DFEDHN
C[C@H]1N(Cc2ccc(C#N)cc2[N+](=O)[O-])CCC12CCOCC2	ZINC000565042762	302187795	/nfs/dbraw/zinc/18/77/95/302187795.db2.gz	APUIVNDEHGDHGV-CYBMUJFWSA-N	0	3	315.373	2.857	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(C#N)cn1	ZINC000566546480	302294383	/nfs/dbraw/zinc/29/43/83/302294383.db2.gz	FVDSQIMMPREPKF-UHFFFAOYSA-N	0	3	324.384	2.584	20	30		DFEDHN
C[C@H](O)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1	ZINC000566945849	302323742	/nfs/dbraw/zinc/32/37/42/302323742.db2.gz	ONRXJOITAYFKKH-INIZCTEOSA-N	0	3	310.397	2.820	20	30		DFEDHN
CSc1ccc2c(c1)[C@@H](NCCn1cnc(C#N)n1)CCC2	ZINC000567870228	302394979	/nfs/dbraw/zinc/39/49/79/302394979.db2.gz	WISDRKTZOGPUAU-HNNXBMFYSA-N	0	3	313.430	2.539	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000068132443	303211682	/nfs/dbraw/zinc/21/16/82/303211682.db2.gz	GUZFCZPANGGKLW-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000181411880	316058835	/nfs/dbraw/zinc/05/88/35/316058835.db2.gz	HTWLYKNWFOQBJP-YJBOKZPZSA-N	0	3	301.434	2.566	20	30		DFEDHN
CN(CCNc1cc(Br)c(C#N)cc1F)C1CC1	ZINC000310721106	316238279	/nfs/dbraw/zinc/23/82/79/316238279.db2.gz	IJCHHZVXDBFPDP-UHFFFAOYSA-N	0	3	312.186	2.966	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@H](C2CC2)C2CCC2)cc1	ZINC000325067448	316262660	/nfs/dbraw/zinc/26/26/60/316262660.db2.gz	ZPUVICJMLWCVCX-KRWDZBQOSA-N	0	3	318.442	2.500	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(-c3ccc(C#N)o3)n2)c1	ZINC000350508304	316394991	/nfs/dbraw/zinc/39/49/91/316394991.db2.gz	ILTRMZKFOLMOLW-UHFFFAOYSA-N	0	3	324.340	2.809	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1cc(C#N)ncn1	ZINC000571361093	317982572	/nfs/dbraw/zinc/98/25/72/317982572.db2.gz	HJSNXWRUCJGRTI-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
CCS[C@@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000575869272	318088728	/nfs/dbraw/zinc/08/87/28/318088728.db2.gz	CFXQGCYTEJXYKN-OAHLLOKOSA-N	0	3	315.446	2.709	20	30		DFEDHN
CC1(C)CN(C[C@H]2CNc3c(C#N)cnn3C2)Cc2ccccc21	ZINC000575989233	318096877	/nfs/dbraw/zinc/09/68/77/318096877.db2.gz	YBOHFTUWKFJNBN-CQSZACIVSA-N	0	3	321.428	2.590	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000576485700	318129966	/nfs/dbraw/zinc/12/99/66/318129966.db2.gz	QICAZXKOUBIPPK-FGTMMUONSA-N	0	3	311.429	2.652	20	30		DFEDHN
C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577283241	318183194	/nfs/dbraw/zinc/18/31/94/318183194.db2.gz	PVCLPTLYVQQTFI-INIZCTEOSA-N	0	3	303.362	2.593	20	30		DFEDHN
C[C@H](CN(Cc1ccc(C#N)cn1)[C@@H](C)CO)c1ccccc1	ZINC000578761449	318283695	/nfs/dbraw/zinc/28/36/95/318283695.db2.gz	GTBGCFYFFNPBEX-CVEARBPZSA-N	0	3	309.413	2.940	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@@H]1n1cccn1	ZINC000580102805	318376538	/nfs/dbraw/zinc/37/65/38/318376538.db2.gz	NKJCXLNWYRRSBS-KURKYZTESA-N	0	3	310.401	2.572	20	30		DFEDHN
C[C@@]1(CNc2nccc(C#N)n2)CCCN1Cc1ccccc1	ZINC000397912977	323356938	/nfs/dbraw/zinc/35/69/38/323356938.db2.gz	IOAYRBSVECGAON-SFHVURJKSA-N	0	3	307.401	2.815	20	30		DFEDHN
N#Cc1cnccc1NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000399404820	323358388	/nfs/dbraw/zinc/35/83/88/323358388.db2.gz	BTJRWLGNIHPOKS-SFHVURJKSA-N	0	3	306.413	2.842	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)cn1	ZINC000399723060	323359824	/nfs/dbraw/zinc/35/98/24/323359824.db2.gz	JBCSKONTBMOSFN-MAUKXSAKSA-N	0	3	306.413	2.759	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000581669919	323557902	/nfs/dbraw/zinc/55/79/02/323557902.db2.gz	LMOXWXZVALPGOL-GDBMZVCRSA-N	0	3	303.362	2.904	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2c(F)cccc2F)CC1	ZINC000255292661	331728590	/nfs/dbraw/zinc/72/85/90/331728590.db2.gz	KGDYGCZCMFEYFN-SREVYHEPSA-N	0	3	306.356	2.745	20	30		DFEDHN
C=CCn1cc(CN[C@@H]2CCC[C@@H](c3ncccc3C)C2)nn1	ZINC000569592634	332168802	/nfs/dbraw/zinc/16/88/02/332168802.db2.gz	HFYREXBGQJUINU-HZPDHXFCSA-N	0	3	311.433	2.984	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CC[C@H](c3ccccc3)C2)CC1	ZINC000367517734	332226807	/nfs/dbraw/zinc/22/68/07/332226807.db2.gz	LHNFIWCLQCHDJU-OALUTQOASA-N	0	3	310.441	2.784	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C	ZINC000370875580	332274519	/nfs/dbraw/zinc/27/45/19/332274519.db2.gz	GSWSFWQCYJOLAW-IRXDYDNUSA-N	0	3	314.429	2.950	20	30		DFEDHN
CCN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000112131254	332310680	/nfs/dbraw/zinc/31/06/80/332310680.db2.gz	YNGVPNHLECJVPU-UHFFFAOYSA-N	0	3	323.444	2.601	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000560400999	332337097	/nfs/dbraw/zinc/33/70/97/332337097.db2.gz	JPJZZKWTDNBKBZ-QZTJIDSGSA-N	0	3	313.445	2.782	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000566320122	332341219	/nfs/dbraw/zinc/34/12/19/332341219.db2.gz	MSJMRILDSOQPQY-IBGZPJMESA-N	0	3	316.445	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C#Cc2ccc(CC)cc2)CC1	ZINC000293052592	335102210	/nfs/dbraw/zinc/10/22/10/335102210.db2.gz	KUWPRTVIFVTPEG-UHFFFAOYSA-N	0	3	310.441	2.757	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)[C@H]2C)c(OC)c1	ZINC000293368939	335107907	/nfs/dbraw/zinc/10/79/07/335107907.db2.gz	IZKOOWJAXHWBNX-SQWLQELKSA-N	0	3	305.418	2.504	20	30		DFEDHN
C=CCc1cc(CNCCc2nccnc2C)cc(OC)c1O	ZINC000293196724	335104761	/nfs/dbraw/zinc/10/47/61/335104761.db2.gz	XMMBCJZRLJRZFF-UHFFFAOYSA-N	0	3	313.401	2.560	20	30		DFEDHN
CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(OC)cc1	ZINC000124173964	332432948	/nfs/dbraw/zinc/43/29/48/332432948.db2.gz	LOZROPLATVZSOX-FUHWJXTLSA-N	0	3	315.417	2.544	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1	ZINC000293445455	335106385	/nfs/dbraw/zinc/10/63/85/335106385.db2.gz	KHTRDKYMHQRTMJ-XJKSGUPXSA-N	0	3	300.402	2.507	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OCCCC)C1(C)C	ZINC000561945614	332519705	/nfs/dbraw/zinc/51/97/05/332519705.db2.gz	WXUZUQUZAWYRFB-HZPDHXFCSA-N	0	3	310.482	2.984	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@H]2CCn3ccnc3C2)cc1	ZINC000570474589	332761291	/nfs/dbraw/zinc/76/12/91/332761291.db2.gz	ARBIHDLCZSHLNX-RDJZCZTQSA-N	0	3	310.401	2.841	20	30		DFEDHN
C#CCN(Cc1ccc(F)cc1)C(=O)C1CCN(C2CC2)CC1	ZINC000195389583	335113542	/nfs/dbraw/zinc/11/35/42/335113542.db2.gz	CTERJPPNIABDTM-UHFFFAOYSA-N	0	3	314.404	2.662	20	30		DFEDHN
CN(C(=O)CN1C[C@H]2CCCC[C@@H]2C1)C1(C#N)CCCCC1	ZINC000177561740	332991389	/nfs/dbraw/zinc/99/13/89/332991389.db2.gz	HHPIEEARNSAKOR-HZPDHXFCSA-N	0	3	303.450	2.793	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1	ZINC000491221765	333002828	/nfs/dbraw/zinc/00/28/28/333002828.db2.gz	ZNINHAFQYNAVMO-CQSZACIVSA-N	0	3	312.404	2.663	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@H](C)c1ccc(F)cc1F	ZINC000293912748	335115685	/nfs/dbraw/zinc/11/56/85/335115685.db2.gz	GEXKXBUYLZDFDS-ZDUSSCGKSA-N	0	3	308.372	2.530	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c[nH]cc1-c1ccccc1F	ZINC000293947422	335116039	/nfs/dbraw/zinc/11/60/39/335116039.db2.gz	JTUQMGPTQSRVQB-UHFFFAOYSA-N	0	3	313.376	2.506	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cccc(Oc2ccncc2)c1	ZINC000293945297	335116209	/nfs/dbraw/zinc/11/62/09/335116209.db2.gz	JOSUQJBWCHSNDC-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
C#C[C@@H](C)N(C)CCC(=O)Nc1ccccc1Br	ZINC000491340715	333024691	/nfs/dbraw/zinc/02/46/91/333024691.db2.gz	ZQPLJJZTSSUCOF-LLVKDONJSA-N	0	3	309.207	2.731	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1cccc(O)c1	ZINC000562993914	333025204	/nfs/dbraw/zinc/02/52/04/333025204.db2.gz	RLGNRFLMIIOMDI-GOSISDBHSA-N	0	3	313.397	2.650	20	30		DFEDHN
C#C[C@@H](NC(=O)CN(C)C(C)C)c1ccc(Br)cc1	ZINC000491414523	333081530	/nfs/dbraw/zinc/08/15/30/333081530.db2.gz	CSYBULLUURYHIC-CQSZACIVSA-N	0	3	323.234	2.580	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Cc1cccc(Cl)c1Cl	ZINC000294095051	335120008	/nfs/dbraw/zinc/12/00/08/335120008.db2.gz	XUEFMNBQNVVKIU-UHFFFAOYSA-N	0	3	313.228	2.607	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000294093141	335120287	/nfs/dbraw/zinc/12/02/87/335120287.db2.gz	XSCLUDWYABQHPN-KRWDZBQOSA-N	0	3	316.445	2.614	20	30		DFEDHN
CN1CCO[C@H]([C@H](NCCCCC#N)c2ccc(Cl)cc2)C1	ZINC000179567637	333152796	/nfs/dbraw/zinc/15/27/96/333152796.db2.gz	APDIVVMURVWQNT-DLBZAZTESA-N	0	3	321.852	2.995	20	30		DFEDHN
CC[C@H](NCCC(=O)N(C)CCC#N)c1cc(F)ccc1F	ZINC000179800991	333155594	/nfs/dbraw/zinc/15/55/94/333155594.db2.gz	YCBAVSGMHYMMIT-HNNXBMFYSA-N	0	3	309.360	2.768	20	30		DFEDHN
C=CCOCCN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000294674300	335125347	/nfs/dbraw/zinc/12/53/47/335125347.db2.gz	SAXYXROUMSLIPP-IUODEOHRSA-N	0	3	304.390	2.649	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CN1C1CC1	ZINC000180529870	333162630	/nfs/dbraw/zinc/16/26/30/333162630.db2.gz	SVISJNDGDQERLG-CZUORRHYSA-N	0	3	309.413	2.597	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C	ZINC000181083936	333167342	/nfs/dbraw/zinc/16/73/42/333167342.db2.gz	PHHFSRTVGDISQL-PBHICJAKSA-N	0	3	311.429	2.796	20	30		DFEDHN
CC(C)(C#N)CCCN[C@@H](CS(C)(=O)=O)c1ccccc1	ZINC000181773998	333172450	/nfs/dbraw/zinc/17/24/50/333172450.db2.gz	JWVVXVUCTNRHHK-HNNXBMFYSA-N	0	3	308.447	2.692	20	30		DFEDHN
CC(C)OCCNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000184158615	333192792	/nfs/dbraw/zinc/19/27/92/333192792.db2.gz	GURJXFXGEQICSS-UHFFFAOYSA-N	0	3	312.417	2.978	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000294442142	335123210	/nfs/dbraw/zinc/12/32/10/335123210.db2.gz	VGRORRKTGQWMJX-IMJJTQAJSA-N	0	3	316.380	2.604	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000309877292	333204863	/nfs/dbraw/zinc/20/48/63/333204863.db2.gz	ILUSXEPTTMOFPX-RBUKOAKNSA-N	0	3	313.445	2.955	20	30		DFEDHN
Cc1ccc([C@H](CN[C@H]2CCC[C@H](C#N)C2)N2CCOCC2)o1	ZINC000185762888	333213757	/nfs/dbraw/zinc/21/37/57/333213757.db2.gz	ZLNFCOJAIXRCEN-ULQDDVLXSA-N	0	3	317.433	2.633	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000185786726	333213954	/nfs/dbraw/zinc/21/39/54/333213954.db2.gz	STJPTFHIQFDIND-GDBMZVCRSA-N	0	3	317.408	2.834	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1	ZINC000185814271	333214482	/nfs/dbraw/zinc/21/44/82/333214482.db2.gz	PBYCFLZSCHSETN-CRAIPNDOSA-N	0	3	311.429	2.981	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1ncc(Br)s1	ZINC000294924795	335128878	/nfs/dbraw/zinc/12/88/78/335128878.db2.gz	HDGIJNYXDOPDMW-SNVBAGLBSA-N	0	3	316.268	2.511	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1ncc(Br)s1	ZINC000294924791	335129010	/nfs/dbraw/zinc/12/90/10/335129010.db2.gz	HDGIJNYXDOPDMW-JTQLQIEISA-N	0	3	316.268	2.511	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Cl)nn1)C(C)C	ZINC000294966172	335129230	/nfs/dbraw/zinc/12/92/30/335129230.db2.gz	XBLTWMQDTLNXBY-CQSZACIVSA-N	0	3	322.840	2.558	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000119711045	333256850	/nfs/dbraw/zinc/25/68/50/333256850.db2.gz	AFRGGFIXPARPMF-RDJZCZTQSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000185392786	335132462	/nfs/dbraw/zinc/13/24/62/335132462.db2.gz	HILXBZQQCMDNCS-UHFFFAOYSA-N	0	3	313.445	2.961	20	30		DFEDHN
CC(C)[C@@H](CCN(C)C(=O)C(C)C#N)NC(=O)OC(C)(C)C	ZINC000493074551	333331724	/nfs/dbraw/zinc/33/17/24/333331724.db2.gz	RBYIIPQSHDPLRC-QWHCGFSZSA-N	0	3	311.426	2.544	20	30		DFEDHN
CC#CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000365056581	333352472	/nfs/dbraw/zinc/35/24/72/333352472.db2.gz	QNAJOYZDNOPLPR-CRAIPNDOSA-N	0	3	308.385	2.508	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1	ZINC000365185178	333356349	/nfs/dbraw/zinc/35/63/49/333356349.db2.gz	HUEBVEGSKZJHPN-GJZGRUSLSA-N	0	3	304.459	2.927	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(N)CCCCC1	ZINC000521424888	333380270	/nfs/dbraw/zinc/38/02/70/333380270.db2.gz	LXKSBSGQXFJEPK-UHFFFAOYSA-N	0	3	317.389	2.771	20	30		DFEDHN
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)CO	ZINC000295733315	335137633	/nfs/dbraw/zinc/13/76/33/335137633.db2.gz	MDGDOYKAXCIPSX-VXGBXAGGSA-N	0	3	301.308	2.543	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000337096926	333438489	/nfs/dbraw/zinc/43/84/89/333438489.db2.gz	RMTGMBJCKVOCDH-KRWDZBQOSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCCC[C@@H]2OCCC(C)C)C1=O	ZINC000337254504	333444715	/nfs/dbraw/zinc/44/47/15/333444715.db2.gz	SKHWYRGVORCWRD-IKGGRYGDSA-N	0	3	308.466	2.737	20	30		DFEDHN
CC(C)[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000337383113	333447995	/nfs/dbraw/zinc/44/79/95/333447995.db2.gz	DVKGMBZXIDXKPV-BBRMVZONSA-N	0	3	305.397	2.873	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCC[C@@H]1OC(F)F	ZINC000337430807	333449008	/nfs/dbraw/zinc/44/90/08/333449008.db2.gz	UXLONEHJRFSPOK-IHRRRGAJSA-N	0	3	316.392	2.716	20	30		DFEDHN
N#CCSCCCN1CCC(O)(Cc2ccccc2F)CC1	ZINC000365817892	333461028	/nfs/dbraw/zinc/46/10/28/333461028.db2.gz	CULIQXNQGPRKLT-UHFFFAOYSA-N	0	3	322.449	2.842	20	30		DFEDHN
C=C(C)Cn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1	ZINC000338803108	333499045	/nfs/dbraw/zinc/49/90/45/333499045.db2.gz	JZMQKAGYKZDSDW-UHFFFAOYSA-N	0	3	305.470	2.721	20	30		DFEDHN
C=CCCS(=O)(=O)NC1CCN(C2CCC(C)CC2)CC1	ZINC000366248789	333507388	/nfs/dbraw/zinc/50/73/88/333507388.db2.gz	UBASQZPWOLEEJS-UHFFFAOYSA-N	0	3	314.495	2.525	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2CCC[C@@H]2F)c(-c2ccncc2)n1	ZINC000339587254	333528827	/nfs/dbraw/zinc/52/88/27/333528827.db2.gz	ONXFUDDEPBEVLR-HOTGVXAUSA-N	0	3	313.380	2.839	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)CCc2ccccc2C)CC1	ZINC000296521757	335145884	/nfs/dbraw/zinc/14/58/84/335145884.db2.gz	UCDDRTZWUUZJJL-UHFFFAOYSA-N	0	3	315.461	2.829	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccccc1SC	ZINC000297116810	335149659	/nfs/dbraw/zinc/14/96/59/335149659.db2.gz	YXXZBYNSTSQZSO-AWEZNQCLSA-N	0	3	319.474	2.724	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(C)cc1	ZINC000296940870	335150121	/nfs/dbraw/zinc/15/01/21/335150121.db2.gz	PNTGMCIGZRBBJX-MRXNPFEDSA-N	0	3	301.434	2.653	20	30		DFEDHN
C#CCOc1ccc(CN2CCSC3(CCOCC3)C2)cc1	ZINC000186479537	335158377	/nfs/dbraw/zinc/15/83/77/335158377.db2.gz	SREWWMYCMVAXKT-UHFFFAOYSA-N	0	3	317.454	2.797	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1	ZINC000571607508	333820228	/nfs/dbraw/zinc/82/02/28/333820228.db2.gz	NNPCUSCPFQCHOM-KZNAEPCWSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCO[C@@H]2c2nccn2C)c1	ZINC000343405748	335162608	/nfs/dbraw/zinc/16/26/08/335162608.db2.gz	TXBQSYXRJQJRHN-SJORKVTESA-N	0	3	313.401	2.605	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1F	ZINC000413912271	333881176	/nfs/dbraw/zinc/88/11/76/333881176.db2.gz	IQUSNTAZHOCDGX-MRXNPFEDSA-N	0	3	307.369	2.644	20	30		DFEDHN
C=CCOCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C	ZINC000436723521	333991472	/nfs/dbraw/zinc/99/14/72/333991472.db2.gz	OBCJTHUYEJCEQB-KRWDZBQOSA-N	0	3	316.445	2.879	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccc(CC#N)cc1)c1ccccc1	ZINC000270195428	334008797	/nfs/dbraw/zinc/00/87/97/334008797.db2.gz	DKWLOKJGKCBKBB-GOSISDBHSA-N	0	3	307.397	2.785	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H](CO)[C@H]2C)cc(OC)c1O	ZINC000414575452	334024805	/nfs/dbraw/zinc/02/48/05/334024805.db2.gz	NIQOCXMGAMZURW-CJNGLKHVSA-N	0	3	305.418	2.722	20	30		DFEDHN
C[C@@H](NCCOc1ncccc1F)c1ccc(OCC#N)cc1	ZINC000271874055	334028036	/nfs/dbraw/zinc/02/80/36/334028036.db2.gz	NKZIWKALFMWNKF-CYBMUJFWSA-N	0	3	315.348	2.853	20	30		DFEDHN
C[C@@H]1CCN(C(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273095722	334043155	/nfs/dbraw/zinc/04/31/55/334043155.db2.gz	NPAPYDOHZIBTOP-MRXNPFEDSA-N	0	3	314.433	2.596	20	30		DFEDHN
N#CCCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000273109566	334043361	/nfs/dbraw/zinc/04/33/61/334043361.db2.gz	GDTNRKUGVXPXBY-AWEZNQCLSA-N	0	3	320.462	2.563	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCCCC#N)c1ccsc1	ZINC000273161950	334043910	/nfs/dbraw/zinc/04/39/10/334043910.db2.gz	NUKYXYYOHJGWGS-CQSZACIVSA-N	0	3	308.451	2.734	20	30		DFEDHN
CN(C(=O)NCCCC#N)C1CCN(Cc2ccccc2)CC1	ZINC000273175996	334044012	/nfs/dbraw/zinc/04/40/12/334044012.db2.gz	FKYWCZVDTURWPH-UHFFFAOYSA-N	0	3	314.433	2.596	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCCC#N	ZINC000273198481	334044133	/nfs/dbraw/zinc/04/41/33/334044133.db2.gz	IIZOZTBHUUBZIF-UHFFFAOYSA-N	0	3	322.840	2.717	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)NCCC(C)(C)C#N)cc1	ZINC000274447890	334061456	/nfs/dbraw/zinc/06/14/56/334061456.db2.gz	KGICXXCEFBEVIO-ZDUSSCGKSA-N	0	3	304.390	2.829	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2ncn(C)n2)c([O-])c1	ZINC000275469943	334071475	/nfs/dbraw/zinc/07/14/75/334071475.db2.gz	LLHMASZUJOWQKC-YXHQGMJNSA-N	0	3	301.394	2.547	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1	ZINC000276109480	334074589	/nfs/dbraw/zinc/07/45/89/334074589.db2.gz	ZYFTUFANCBTHMD-QGZVFWFLSA-N	0	3	301.434	2.629	20	30		DFEDHN
C=CCN(CCOC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000343600002	335176017	/nfs/dbraw/zinc/17/60/17/335176017.db2.gz	JBDCDQZVKDUHBY-HNNXBMFYSA-N	0	3	315.421	2.636	20	30		DFEDHN
N#CCc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1	ZINC000343613260	335177196	/nfs/dbraw/zinc/17/71/96/335177196.db2.gz	OWKCZYQCTWPWKQ-UHFFFAOYSA-N	0	3	307.397	2.630	20	30		DFEDHN
C=CCCCCCN(C)C(=O)C(=O)Nc1ccccc1CNC	ZINC000414864952	334135471	/nfs/dbraw/zinc/13/54/71/334135471.db2.gz	DPGDRAXMXFUYNV-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2CCCN2CCC)cc1	ZINC000343574413	335178622	/nfs/dbraw/zinc/17/86/22/335178622.db2.gz	QLKFNDVYUKKZBF-MRXNPFEDSA-N	0	3	302.418	2.856	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000285811203	334150179	/nfs/dbraw/zinc/15/01/79/334150179.db2.gz	QPHDXUUEGFQDKU-KDOFPFPSSA-N	0	3	314.433	2.663	20	30		DFEDHN
CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1	ZINC000289659040	334167081	/nfs/dbraw/zinc/16/70/81/334167081.db2.gz	NDCRDGPHFNPONZ-INIZCTEOSA-N	0	3	300.450	2.562	20	30		DFEDHN
N#CCN(C(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCC1	ZINC000291943322	334183248	/nfs/dbraw/zinc/18/32/48/334183248.db2.gz	NNDREAKVTSQMOC-CVEARBPZSA-N	0	3	312.369	2.586	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000292397715	334187606	/nfs/dbraw/zinc/18/76/06/334187606.db2.gz	YMZYKJFLUWGUHP-IBGZPJMESA-N	0	3	311.429	2.656	20	30		DFEDHN
N#CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000292454055	334188320	/nfs/dbraw/zinc/18/83/20/334188320.db2.gz	XDEDHAROFMOMIC-AWEZNQCLSA-N	0	3	305.447	2.770	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1	ZINC000292750525	334191692	/nfs/dbraw/zinc/19/16/92/334191692.db2.gz	ICXMCSNLRFTAND-CZUORRHYSA-N	0	3	313.401	2.735	20	30		DFEDHN
COc1ccc(CN(C)CCOCCC#N)cc1OC(F)F	ZINC000293592330	334199326	/nfs/dbraw/zinc/19/93/26/334199326.db2.gz	UOCXMTWRZRPZET-UHFFFAOYSA-N	0	3	314.332	2.659	20	30		DFEDHN
C[C@H]1CN(C(=O)c2cccc(CC#N)c2)CCN(C2CCC2)C1	ZINC000293689782	334200798	/nfs/dbraw/zinc/20/07/98/334200798.db2.gz	MDLOYSLSTDUUSA-OAHLLOKOSA-N	0	3	311.429	2.699	20	30		DFEDHN
N#CCCC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1	ZINC000340444719	334203575	/nfs/dbraw/zinc/20/35/75/334203575.db2.gz	ISPWSPODSSPQCO-HOTGVXAUSA-N	0	3	306.431	2.588	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000294347226	334208369	/nfs/dbraw/zinc/20/83/69/334208369.db2.gz	IXFJBZQGRCNCDH-IBGZPJMESA-N	0	3	311.429	2.838	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000294347231	334208433	/nfs/dbraw/zinc/20/84/33/334208433.db2.gz	IXFJBZQGRCNCDH-LJQANCHMSA-N	0	3	311.429	2.838	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000294535280	334210593	/nfs/dbraw/zinc/21/05/93/334210593.db2.gz	JZQNAQDKEFXWGH-GZBFAFLISA-N	0	3	302.374	2.581	20	30		DFEDHN
CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)[C@@H](O)C(F)F	ZINC000294981907	334215270	/nfs/dbraw/zinc/21/52/70/334215270.db2.gz	GQDSJIQXPCWFQY-HUUCEWRRSA-N	0	3	311.376	2.531	20	30		DFEDHN
C[C@H](CCC#N)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1	ZINC000298591378	334250074	/nfs/dbraw/zinc/25/00/74/334250074.db2.gz	RSVVRDCMHGBAEE-NJAFHUGGSA-N	0	3	301.434	2.682	20	30		DFEDHN
C#CCCCCC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000119709908	334285371	/nfs/dbraw/zinc/28/53/71/334285371.db2.gz	DFKUBJCNALNRKM-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccccc1OCC(F)(F)F	ZINC000341283223	334428667	/nfs/dbraw/zinc/42/86/67/334428667.db2.gz	DBDVATIPBNZKKP-GFCCVEGCSA-N	0	3	303.324	2.902	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC(F)F)CC2CCC2)CC1	ZINC000341692453	334470978	/nfs/dbraw/zinc/47/09/78/334470978.db2.gz	YSIRTFTUYGNGIN-UHFFFAOYSA-N	0	3	315.408	2.714	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C(C)C)N(C)C	ZINC000342504139	334547777	/nfs/dbraw/zinc/54/77/77/334547777.db2.gz	XXNXTWOLRAKSRN-KRWDZBQOSA-N	0	3	320.481	2.955	20	30		DFEDHN
CCc1nnsc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	ZINC000330567961	334792348	/nfs/dbraw/zinc/79/23/48/334792348.db2.gz	NAWDTACBAOEFGN-IJLUTSLNSA-N	0	3	310.467	2.772	20	30		DFEDHN
COc1cnc(NC(=O)NC[C@H](C)N2CCC(C)CC2)s1	ZINC000330735050	334810790	/nfs/dbraw/zinc/81/07/90/334810790.db2.gz	VRDIZPQPVBOXSI-NSHDSACASA-N	0	3	312.439	2.598	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cccc(NC(C)=O)c2C)CC1	ZINC000330835906	334814609	/nfs/dbraw/zinc/81/46/09/334814609.db2.gz	UJRBZQYYCHLYKO-UHFFFAOYSA-N	0	3	318.421	2.764	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2nccs2)CC1	ZINC000125976929	334835663	/nfs/dbraw/zinc/83/56/63/334835663.db2.gz	OKLMYNDGRDPFHT-CQSZACIVSA-N	0	3	322.478	2.934	20	30		DFEDHN
CCN1CCC(NC(=O)c2sc([C@H](C)OC)nc2C)CC1	ZINC000331128546	334842273	/nfs/dbraw/zinc/84/22/73/334842273.db2.gz	RZWXFBLQXUXCNQ-NSHDSACASA-N	0	3	311.451	2.948	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000343815618	335195112	/nfs/dbraw/zinc/19/51/12/335195112.db2.gz	YDEIPERYWQTBIU-MRXNPFEDSA-N	0	3	318.465	2.900	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCCN1C	ZINC000343858478	335198096	/nfs/dbraw/zinc/19/80/96/335198096.db2.gz	NATBSXUKDRLXLL-OIISXLGYSA-N	0	3	314.433	2.813	20	30		DFEDHN
N#CC1(CCCN2CC[C@@H](Oc3cccnc3)C2)CCOCC1	ZINC000366851970	335208455	/nfs/dbraw/zinc/20/84/55/335208455.db2.gz	PGKKSHAZJWMSNK-QGZVFWFLSA-N	0	3	315.417	2.635	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C2CCC(C(F)(F)F)CC2)C1=O	ZINC000344135703	335220756	/nfs/dbraw/zinc/22/07/56/335220756.db2.gz	SSJXIBSPDSSHDD-WXRRBKDZSA-N	0	3	304.356	2.826	20	30		DFEDHN
C=CCCC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1	ZINC000113236252	335268151	/nfs/dbraw/zinc/26/81/51/335268151.db2.gz	VWWHCVNSGGOERF-MRXNPFEDSA-N	0	3	316.445	2.969	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccc(C)n1)C(C)C	ZINC000344790013	335277318	/nfs/dbraw/zinc/27/73/18/335277318.db2.gz	RFOLVMDNYNMRPH-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
C[C@H](C#N)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000344801312	335278192	/nfs/dbraw/zinc/27/81/92/335278192.db2.gz	JQOXMNIRWSHYSI-RHSMWYFYSA-N	0	3	313.445	2.735	20	30		DFEDHN
C[C@@H](C#N)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000344801313	335278280	/nfs/dbraw/zinc/27/82/80/335278280.db2.gz	JQOXMNIRWSHYSI-WMLDXEAASA-N	0	3	313.445	2.735	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NC)cc1Cl	ZINC000345814158	335353062	/nfs/dbraw/zinc/35/30/62/335353062.db2.gz	GGBYANYTNAABAV-ZFWWWQNUSA-N	0	3	322.836	2.909	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC(F)F)c(F)c1)c1ccncn1	ZINC000345999715	335368806	/nfs/dbraw/zinc/36/88/06/335368806.db2.gz	XFNQFPVAQRHCCD-VIFPVBQESA-N	0	3	307.231	2.707	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000346232041	335386509	/nfs/dbraw/zinc/38/65/09/335386509.db2.gz	VRYSLDSVIAVBSH-UHFFFAOYSA-N	0	3	312.417	2.579	20	30		DFEDHN
CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)C#N)CC1	ZINC000346280954	335391882	/nfs/dbraw/zinc/39/18/82/335391882.db2.gz	PEUKLBSKFDNTHK-LRDDRELGSA-N	0	3	321.371	2.720	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H](C)C1	ZINC000346283484	335392211	/nfs/dbraw/zinc/39/22/11/335392211.db2.gz	XEGSUMZHSREZTC-HDMKZQKVSA-N	0	3	311.429	2.555	20	30		DFEDHN
C=CCOCCCN1CCN(Cc2ccc(OC)c(F)c2)CC1	ZINC000347974637	335543143	/nfs/dbraw/zinc/54/31/43/335543143.db2.gz	UXLKWSPZRLJSKQ-UHFFFAOYSA-N	0	3	322.424	2.545	20	30		DFEDHN
C=CCOCCCN[C@@H](CN1CCCC1=O)c1ccccc1	ZINC000348047927	335548183	/nfs/dbraw/zinc/54/81/83/335548183.db2.gz	GKFSIEALNIXADU-KRWDZBQOSA-N	0	3	302.418	2.532	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NCC(C)(C)N1CCCCC1	ZINC000349585673	335682817	/nfs/dbraw/zinc/68/28/17/335682817.db2.gz	JLCHUHIUYUEWPR-UHFFFAOYSA-N	0	3	308.470	2.880	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(C)cc2)CC1	ZINC000106040535	335793030	/nfs/dbraw/zinc/79/30/30/335793030.db2.gz	QGFXSIYWGHRDBD-UHFFFAOYSA-N	0	3	302.418	2.531	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)CCC(=O)NC2CCCC2)CC1	ZINC000329066423	335936456	/nfs/dbraw/zinc/93/64/56/335936456.db2.gz	LKROJBDDVZHVRI-UHFFFAOYSA-N	0	3	321.465	2.753	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2CN2CCCCC2)o1	ZINC000329284293	335959735	/nfs/dbraw/zinc/95/97/35/335959735.db2.gz	NUCOIPUKHNWVBE-LSDHHAIUSA-N	0	3	320.437	2.908	20	30		DFEDHN
CC(C)C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1	ZINC000329432681	335975980	/nfs/dbraw/zinc/97/59/80/335975980.db2.gz	IDWSSEWGFAQAEX-DOTOQJQBSA-N	0	3	323.481	2.711	20	30		DFEDHN
O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1C[C@@]12CCOC2	ZINC000329610663	336009987	/nfs/dbraw/zinc/00/99/87/336009987.db2.gz	NUSAKOZTOZZDNE-FUHWJXTLSA-N	0	3	315.417	2.681	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCc2cc(F)ccc21	ZINC000329632863	336020448	/nfs/dbraw/zinc/02/04/48/336020448.db2.gz	WKDRHXQLRVVPHO-OCCSQVGLSA-N	0	3	314.364	2.597	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@H]1CCc2cc(F)ccc21	ZINC000329632863	336020450	/nfs/dbraw/zinc/02/04/50/336020450.db2.gz	WKDRHXQLRVVPHO-OCCSQVGLSA-N	0	3	314.364	2.597	20	30		DFEDHN
CSC[C@@H]1CCCN1CC#CCN1CCC[C@H]1CSC	ZINC000351225971	336025335	/nfs/dbraw/zinc/02/53/35/336025335.db2.gz	MCFXVWRNMGRRPO-HOTGVXAUSA-N	0	3	312.548	2.645	20	30		DFEDHN
C=C(C)CN(C)C(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000351533610	336041176	/nfs/dbraw/zinc/04/11/76/336041176.db2.gz	JJOXWSLWSZSGNI-UHFFFAOYSA-N	0	3	315.461	2.542	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCO1	ZINC000329686023	336044490	/nfs/dbraw/zinc/04/44/90/336044490.db2.gz	UWALVSRHCRFLCL-ZYHUDNBSSA-N	0	3	309.435	2.767	20	30		DFEDHN
C=C(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1	ZINC000351602740	336048701	/nfs/dbraw/zinc/04/87/01/336048701.db2.gz	UJQGSHRHTXCNNT-QGZVFWFLSA-N	0	3	303.450	2.975	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCO1	ZINC000329690199	336051391	/nfs/dbraw/zinc/05/13/91/336051391.db2.gz	VYABAWDPNIWZEX-JSGCOSHPSA-N	0	3	320.389	2.593	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O	ZINC000329781876	336080967	/nfs/dbraw/zinc/08/09/67/336080967.db2.gz	TXRPPYOXSSPJOS-RBSFLKMASA-N	0	3	324.469	2.849	20	30		DFEDHN
CC(C)c1nnc(CNC(=O)[C@H]2CCCN2C2CCCC2)n1C	ZINC000329791133	336082062	/nfs/dbraw/zinc/08/20/62/336082062.db2.gz	UJOXMCWBGMUCRE-CQSZACIVSA-N	0	3	319.453	2.802	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(C(C)(C)C)nn1C	ZINC000329803991	336083994	/nfs/dbraw/zinc/08/39/94/336083994.db2.gz	LRRXNDWEASVOAV-DGCLKSJQSA-N	0	3	304.438	2.505	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC(=O)c3cccn32)C1	ZINC000329823818	336086531	/nfs/dbraw/zinc/08/65/31/336086531.db2.gz	BGMAEFKNUQYDFP-VNHYZAJKSA-N	0	3	303.406	2.691	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@@H](C)CN1CCCCC1)C2	ZINC000329846191	336088818	/nfs/dbraw/zinc/08/88/18/336088818.db2.gz	OURVTZYKWUSSJK-ZFWWWQNUSA-N	0	3	304.438	2.585	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000329865907	336090544	/nfs/dbraw/zinc/09/05/44/336090544.db2.gz	AQLNWEMDIMWEIZ-QLFBSQMISA-N	0	3	315.417	2.621	20	30		DFEDHN
O=C(NC[C@@H]1CCc2nccn2C1)[C@@H]1CCCN1C1CCCC1	ZINC000329960521	336100304	/nfs/dbraw/zinc/10/03/04/336100304.db2.gz	RDRWRXLZMYGWQK-HOCLYGCPSA-N	0	3	316.449	2.809	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1coc(C2CCOCC2)n1	ZINC000329965392	336100662	/nfs/dbraw/zinc/10/06/62/336100662.db2.gz	RCRRLGGXJJJYOC-ZDUSSCGKSA-N	0	3	321.421	2.748	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc2nccnc2cc1F	ZINC000329981774	336102293	/nfs/dbraw/zinc/10/22/93/336102293.db2.gz	NXUGFIQOZGDPGN-HWPZZCPQSA-N	0	3	314.364	2.556	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc2nccnc2cc1F	ZINC000329981775	336102511	/nfs/dbraw/zinc/10/25/11/336102511.db2.gz	NXUGFIQOZGDPGN-QLJPJBMISA-N	0	3	314.364	2.556	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)NC[C@H]1CCN(C2CC2)C1	ZINC000330014031	336105931	/nfs/dbraw/zinc/10/59/31/336105931.db2.gz	MRBZZEFLARNSFC-CYBMUJFWSA-N	0	3	303.406	2.724	20	30		DFEDHN
CN1CC=C(CNC(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1	ZINC000330057629	336110037	/nfs/dbraw/zinc/11/00/37/336110037.db2.gz	XTYTWUZAJBGGQU-MRXNPFEDSA-N	0	3	321.465	2.634	20	30		DFEDHN
COCc1nc(C)c(C(=O)NC2CC(N3CCCCC3)C2)s1	ZINC000330110869	336114258	/nfs/dbraw/zinc/11/42/58/336114258.db2.gz	QVELTKBJLLGUMP-UHFFFAOYSA-N	0	3	323.462	2.919	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H](C)C[C@H]1CCCO1	ZINC000330180754	336121454	/nfs/dbraw/zinc/12/14/54/336121454.db2.gz	GFDBWYMDVSSUOV-VNQPRFMTSA-N	0	3	320.437	2.528	20	30		DFEDHN
C[C@H](CNC(=O)N[C@H]1CCOC2(CCC2)C1)N1CCC[C@@H](C)C1	ZINC000330193356	336122876	/nfs/dbraw/zinc/12/28/76/336122876.db2.gz	AJOJWHXADBOHIX-OAGGEKHMSA-N	0	3	323.481	2.712	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)NC1(C#N)CCCCC1	ZINC000330205023	336124173	/nfs/dbraw/zinc/12/41/73/336124173.db2.gz	CCJPUBRFDLBDMA-NWANDNLSSA-N	0	3	305.422	2.715	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330214207	336125006	/nfs/dbraw/zinc/12/50/06/336125006.db2.gz	GAGAZWURNQWIJF-HUUCEWRRSA-N	0	3	321.465	2.609	20	30		DFEDHN
CC(C)[C@H](CC(F)(F)F)NCC(=O)N[C@](C)(C#N)C(C)C	ZINC000445897177	338514698	/nfs/dbraw/zinc/51/46/98/338514698.db2.gz	MWCUPCXXOCAXRV-WCQYABFASA-N	0	3	307.360	2.607	20	30		DFEDHN
Cc1nccn1CCNC([O-])=[NH+][C@H]1CCOC2(CCCCC2)C1	ZINC000330243983	336129020	/nfs/dbraw/zinc/12/90/20/336129020.db2.gz	XAGGWPBCHSVTTP-HNNXBMFYSA-N	0	3	320.437	2.577	20	30		DFEDHN
Cc1nccn1CC[NH+]=C([O-])N[C@H]1CCOC2(CCCCC2)C1	ZINC000330243983	336129022	/nfs/dbraw/zinc/12/90/22/336129022.db2.gz	XAGGWPBCHSVTTP-HNNXBMFYSA-N	0	3	320.437	2.577	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	ZINC000331705275	336145225	/nfs/dbraw/zinc/14/52/25/336145225.db2.gz	AQLQVEGDJPTPMF-IBGZPJMESA-N	0	3	323.444	2.873	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1	ZINC000331870038	336151116	/nfs/dbraw/zinc/15/11/16/336151116.db2.gz	UNLIERKUMBUOGR-IVSAIRAKSA-N	0	3	302.422	2.966	20	30		DFEDHN
CS[C@@H]1CCCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000331897286	336151864	/nfs/dbraw/zinc/15/18/64/336151864.db2.gz	DUMQSOMYYYKIJQ-IIAWOOMASA-N	0	3	311.495	2.647	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)CC1	ZINC000332470854	336172276	/nfs/dbraw/zinc/17/22/76/336172276.db2.gz	NFAOYKGWODLXEX-JKSUJKDBSA-N	0	3	323.481	2.528	20	30		DFEDHN
N#CC1CCC(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1	ZINC000333005636	336196122	/nfs/dbraw/zinc/19/61/22/336196122.db2.gz	ACPVCSWPGQOQQG-DQPZFDDXSA-N	0	3	318.465	2.632	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333520916	336205054	/nfs/dbraw/zinc/20/50/54/336205054.db2.gz	GYQKCJYDHDFWEG-YJBOKZPZSA-N	0	3	303.450	2.841	20	30		DFEDHN
CC(C)(CCC#N)CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000352263604	336208400	/nfs/dbraw/zinc/20/84/00/336208400.db2.gz	PCMOEQZMFNSLCP-AWEZNQCLSA-N	0	3	307.825	2.656	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCSC1)C(C)C	ZINC000352607292	336226665	/nfs/dbraw/zinc/22/66/65/336226665.db2.gz	RODHFLLWBWNCRY-HOTGVXAUSA-N	0	3	310.507	2.944	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(OC)cc1Br	ZINC000352740407	336233304	/nfs/dbraw/zinc/23/33/04/336233304.db2.gz	WUOCRHUQVKGVSG-NSHDSACASA-N	0	3	314.223	2.732	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)C(C)C	ZINC000042393258	336240000	/nfs/dbraw/zinc/24/00/00/336240000.db2.gz	YAAZUKMGLSDVSV-QGZVFWFLSA-N	0	3	316.449	2.716	20	30		DFEDHN
CC(C)(O)CN(CC#Cc1ccccc1Cl)C1CCOCC1	ZINC000532746208	336269376	/nfs/dbraw/zinc/26/93/76/336269376.db2.gz	MDCVISNCYWPACU-UHFFFAOYSA-N	0	3	321.848	2.943	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(C(F)F)CCCCC2)CC1	ZINC000352885660	336330850	/nfs/dbraw/zinc/33/08/50/336330850.db2.gz	NEVLOIUYWYLNAN-UHFFFAOYSA-N	0	3	315.408	2.904	20	30		DFEDHN
C=CCNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000029318963	336394758	/nfs/dbraw/zinc/39/47/58/336394758.db2.gz	ZMJPTUAOUDOYJW-INIZCTEOSA-N	0	3	305.422	2.563	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1	ZINC000114960502	336401619	/nfs/dbraw/zinc/40/16/19/336401619.db2.gz	NVVNJYMUYBEKAP-QGZVFWFLSA-N	0	3	316.449	2.902	20	30		DFEDHN
C[C@@H](NC(=O)NCC1(CC#N)CC1)[C@@H](c1ccccc1)N(C)C	ZINC000355873196	336525669	/nfs/dbraw/zinc/52/56/69/336525669.db2.gz	LMZAQGVFPBPPJI-ZBFHGGJFSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(CCOCC)CCCC2)CC1	ZINC000357159449	336575302	/nfs/dbraw/zinc/57/53/02/336575302.db2.gz	KRNFERZMPGAZQD-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=C(C)COCCN[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1	ZINC000357459465	336585854	/nfs/dbraw/zinc/58/58/54/336585854.db2.gz	NYURSENKASJAMO-SQNIBIBYSA-N	0	3	305.418	2.794	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCCOC1)C(C)C	ZINC000357720941	336595839	/nfs/dbraw/zinc/59/58/39/336595839.db2.gz	HXJQFMVNBPAJIB-AEFFLSMTSA-N	0	3	308.466	2.618	20	30		DFEDHN
N#CC1(F)CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1	ZINC000359347327	336668733	/nfs/dbraw/zinc/66/87/33/336668733.db2.gz	IBPQAGYKTYGTOE-UHFFFAOYSA-N	0	3	315.392	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(c3ccccc3F)C2)CC1	ZINC000361989334	336781230	/nfs/dbraw/zinc/78/12/30/336781230.db2.gz	RQSODKZIQOEJNX-UHFFFAOYSA-N	0	3	317.408	2.585	20	30		DFEDHN
C=CC[C@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000116857260	336847509	/nfs/dbraw/zinc/84/75/09/336847509.db2.gz	VTYJPHUYVOYRMR-KRWDZBQOSA-N	0	3	315.461	2.670	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@@H](O)Cc2ccccc2)CC1	ZINC000369207558	336860670	/nfs/dbraw/zinc/86/06/70/336860670.db2.gz	PWBLIOVPTOZXSH-SFHVURJKSA-N	0	3	321.424	2.542	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@H](O)Cc2ccccc2)CC1	ZINC000369207557	336860673	/nfs/dbraw/zinc/86/06/73/336860673.db2.gz	PWBLIOVPTOZXSH-GOSISDBHSA-N	0	3	321.424	2.542	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1	ZINC000369758046	336871301	/nfs/dbraw/zinc/87/13/01/336871301.db2.gz	SFBMNUVLZMWRQZ-ROUUACIJSA-N	0	3	302.462	2.807	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C3CCCC3)C2)CC1	ZINC000373396336	336959095	/nfs/dbraw/zinc/95/90/95/336959095.db2.gz	UGKLOYCODASWFM-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](C)C3(CCC3)C2)CC1	ZINC000374275110	336985678	/nfs/dbraw/zinc/98/56/78/336985678.db2.gz	SGSFTYMUKFDIPJ-HNNXBMFYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1	ZINC000375988414	337024773	/nfs/dbraw/zinc/02/47/73/337024773.db2.gz	YJLVCXCUTXDISG-ZDUSSCGKSA-N	0	3	309.369	2.636	20	30		DFEDHN
C=CCCCCCN1CCCN(CC(=O)NC(C)(C)C)CC1	ZINC000376033363	337025752	/nfs/dbraw/zinc/02/57/52/337025752.db2.gz	SXFRDPKPWZEUBL-UHFFFAOYSA-N	0	3	309.498	2.655	20	30		DFEDHN
CC(C)(C#N)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000376405362	337032799	/nfs/dbraw/zinc/03/27/99/337032799.db2.gz	DVVPGOSPRATBJH-LJQANCHMSA-N	0	3	311.429	2.661	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc2c1OCO2	ZINC000123188180	337039024	/nfs/dbraw/zinc/03/90/24/337039024.db2.gz	NUUFBMXPQSHVFR-GFCCVEGCSA-N	0	3	319.320	2.792	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCOCC[C@H]1C)C(C)C	ZINC000376830854	337042320	/nfs/dbraw/zinc/04/23/20/337042320.db2.gz	FPVGHYWTASKMHJ-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000376966948	337044363	/nfs/dbraw/zinc/04/43/63/337044363.db2.gz	HWVFUWVJQAIUSB-HXUWFJFHSA-N	0	3	322.452	2.772	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CC(N)=O)C2)cc1Cl	ZINC000377846827	337062511	/nfs/dbraw/zinc/06/25/11/337062511.db2.gz	GSSKJWPXWOVCGH-CYBMUJFWSA-N	0	3	308.809	2.602	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1Cl	ZINC000377846828	337062520	/nfs/dbraw/zinc/06/25/20/337062520.db2.gz	GSSKJWPXWOVCGH-ZDUSSCGKSA-N	0	3	308.809	2.602	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCCC2)C1	ZINC000171442126	337087241	/nfs/dbraw/zinc/08/72/41/337087241.db2.gz	RYXFWRMFCUXVRX-OAHLLOKOSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c[nH]c3cccc(C)c23)CC1	ZINC000171716047	337088779	/nfs/dbraw/zinc/08/87/79/337088779.db2.gz	KWGLFNCSZZHFPP-UHFFFAOYSA-N	0	3	311.429	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSCc2cccc(C)c2)CC1	ZINC000171727847	337088867	/nfs/dbraw/zinc/08/88/67/337088867.db2.gz	PSOILUJXOCVQPN-UHFFFAOYSA-N	0	3	318.486	2.995	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(F)cc2F)CC1	ZINC000171729043	337088887	/nfs/dbraw/zinc/08/88/87/337088887.db2.gz	JTLZZBYZSRDQPS-UHFFFAOYSA-N	0	3	324.371	2.500	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H](OCCC)CC2)CC1	ZINC000171764671	337089070	/nfs/dbraw/zinc/08/90/70/337089070.db2.gz	VXRZOBHTDDLVFN-QGZVFWFLSA-N	0	3	323.481	2.628	20	30		DFEDHN
C#CCCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000174460371	337142042	/nfs/dbraw/zinc/14/20/42/337142042.db2.gz	LXNGOWHVYZWDLV-HNNXBMFYSA-N	0	3	319.474	2.673	20	30		DFEDHN
C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000179670362	337171028	/nfs/dbraw/zinc/17/10/28/337171028.db2.gz	GEFCPUZADPOCOO-BKTGTZMESA-N	0	3	308.381	2.898	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1OCCCC#N	ZINC000180855234	337178154	/nfs/dbraw/zinc/17/81/54/337178154.db2.gz	HKCDMBVZQHRMKA-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1	ZINC000180893732	337178454	/nfs/dbraw/zinc/17/84/54/337178454.db2.gz	CQBANAGKWQHUMO-CABCVRRESA-N	0	3	307.397	2.537	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1cccc(Br)c1	ZINC000181246774	337180554	/nfs/dbraw/zinc/18/05/54/337180554.db2.gz	COPWOKLDSRXPCI-CYBMUJFWSA-N	0	3	314.223	2.697	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1ccc(/C=C/C)cc1OC	ZINC000181306889	337181207	/nfs/dbraw/zinc/18/12/07/337181207.db2.gz	FOYMETJYKCUUQU-MOEXGYKKSA-N	0	3	305.418	2.976	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](CC1CCC1)c1ccccc1	ZINC000181346508	337181616	/nfs/dbraw/zinc/18/16/16/337181616.db2.gz	IEQGWENWOPIPDF-MRXNPFEDSA-N	0	3	315.417	2.519	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1	ZINC000183156830	337190155	/nfs/dbraw/zinc/19/01/55/337190155.db2.gz	BXGHTMSNVQBCNK-UONOGXRCSA-N	0	3	312.417	2.522	20	30		DFEDHN
C#CCOc1ccccc1CN1CCCN(c2ccccn2)CC1	ZINC000184804349	337200288	/nfs/dbraw/zinc/20/02/88/337200288.db2.gz	YJIZFYASYHKEEK-UHFFFAOYSA-N	0	3	321.424	2.806	20	30		DFEDHN
C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000582843683	337208313	/nfs/dbraw/zinc/20/83/13/337208313.db2.gz	UOQKJQPHAPGFKD-SDDRHHMPSA-N	0	3	317.355	2.648	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1	ZINC000188410630	337273185	/nfs/dbraw/zinc/27/31/85/337273185.db2.gz	NUEIVIPPBGYJEI-GOSISDBHSA-N	0	3	309.413	2.950	20	30		DFEDHN
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[C@@H]1O	ZINC000190060740	337284979	/nfs/dbraw/zinc/28/49/79/337284979.db2.gz	NIICSVDNHMAQEG-QAPCUYQASA-N	0	3	324.428	2.666	20	30		DFEDHN
CN(C)c1noc(C2CCN(CC(C)(C)CCC#N)CC2)n1	ZINC000191908818	337301130	/nfs/dbraw/zinc/30/11/30/337301130.db2.gz	CTUUCIHEACRJHP-UHFFFAOYSA-N	0	3	305.426	2.645	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cccc(-n3cccn3)c2C#N)CN1C1CC1	ZINC000584421243	337323903	/nfs/dbraw/zinc/32/39/03/337323903.db2.gz	IQHGJHIOKKSYCM-KGLIPLIRSA-N	0	3	307.401	2.781	20	30		DFEDHN
C=C(C)CN1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1	ZINC000104711901	337386677	/nfs/dbraw/zinc/38/66/77/337386677.db2.gz	GQBAAYCQACIMGL-UHFFFAOYSA-N	0	3	315.417	2.872	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000114731269	337391730	/nfs/dbraw/zinc/39/17/30/337391730.db2.gz	QVWRRKNHTTWSDF-UHFFFAOYSA-N	0	3	321.371	2.807	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000248989400	337569133	/nfs/dbraw/zinc/56/91/33/337569133.db2.gz	NALLKWKTZHOOMV-AGIUHOORSA-N	0	3	319.355	2.742	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CCC(C)(C)C)CC1	ZINC000079216047	337617248	/nfs/dbraw/zinc/61/72/48/337617248.db2.gz	RVCVQDPOEQRBPZ-KRWDZBQOSA-N	0	3	323.525	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOCc2ccccc2)CC1	ZINC000264498104	337632511	/nfs/dbraw/zinc/63/25/11/337632511.db2.gz	PTJTVOQHKMKHJG-UHFFFAOYSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCCN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000276292115	337664415	/nfs/dbraw/zinc/66/44/15/337664415.db2.gz	UCGYPQFCVCEYCQ-UHFFFAOYSA-N	0	3	316.445	2.539	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000424076515	337731318	/nfs/dbraw/zinc/73/13/18/337731318.db2.gz	MFKHIKBXYZLOBC-GFCCVEGCSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1	ZINC000424089649	337732314	/nfs/dbraw/zinc/73/23/14/337732314.db2.gz	WFBCEVQEQFALTC-LLVKDONJSA-N	0	3	314.158	2.548	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1C(F)(F)F	ZINC000424098142	337734067	/nfs/dbraw/zinc/73/40/67/337734067.db2.gz	CDPKQTHTTBPCKH-MFKMUULPSA-N	0	3	313.323	2.904	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1	ZINC000424111322	337739549	/nfs/dbraw/zinc/73/95/49/337739549.db2.gz	GCMUGGZBHVIHGD-OKZBNKHCSA-N	0	3	313.445	2.925	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1cccc(F)c1	ZINC000424122798	337747875	/nfs/dbraw/zinc/74/78/75/337747875.db2.gz	JFWOXHSELHXMNP-WQVCFCJDSA-N	0	3	303.381	2.756	20	30		DFEDHN
COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](N)CCCC#N	ZINC000424123989	337748548	/nfs/dbraw/zinc/74/85/48/337748548.db2.gz	NIWZGFRHRIDJPV-HOTGVXAUSA-N	0	3	317.433	2.920	20	30		DFEDHN
C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H](N)CCCC#N)C1	ZINC000424123885	337748589	/nfs/dbraw/zinc/74/85/89/337748589.db2.gz	LBGFORRWVSZGTN-MJGOQNOKSA-N	0	3	313.445	2.879	20	30		DFEDHN
CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](N)CCCC#N	ZINC000424129070	337749968	/nfs/dbraw/zinc/74/99/68/337749968.db2.gz	SFUUINNVKYHAMZ-GDBMZVCRSA-N	0	3	317.433	2.810	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@H](C)CCC#N)CC2)o1	ZINC000527577016	337751570	/nfs/dbraw/zinc/75/15/70/337751570.db2.gz	IATHPHQORYVRAN-CYBMUJFWSA-N	0	3	303.406	2.783	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(Br)c(F)c1F	ZINC000527693158	337760256	/nfs/dbraw/zinc/76/02/56/337760256.db2.gz	VMISGJPZJPKYMS-SECBINFHSA-N	0	3	306.150	2.754	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F	ZINC000424160710	337786249	/nfs/dbraw/zinc/78/62/49/337786249.db2.gz	WVBAILLFNLOTPC-RYUDHWBXSA-N	0	3	305.344	2.635	20	30		DFEDHN
CC(C)c1ccc(C[C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424165865	337789577	/nfs/dbraw/zinc/78/95/77/337789577.db2.gz	FMWWRVKJVINNBK-WMLDXEAASA-N	0	3	301.434	2.878	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)[C@H](C)c2ccc(OC)cc2)nn1	ZINC000424291678	337816315	/nfs/dbraw/zinc/81/63/15/337816315.db2.gz	FAQJBMYNGTVIOS-UONOGXRCSA-N	0	3	300.406	2.755	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](c1ccccc1)N(C)C	ZINC000425781759	338017397	/nfs/dbraw/zinc/01/73/97/338017397.db2.gz	GHAHOAXQEOCYRD-DIECFANBSA-N	0	3	314.433	2.669	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC(C)(C)O1)C(C)C	ZINC000426421766	338031897	/nfs/dbraw/zinc/03/18/97/338031897.db2.gz	SRTVSYYPADFRDZ-HZPDHXFCSA-N	0	3	308.466	2.759	20	30		DFEDHN
CCOCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000426651037	338037047	/nfs/dbraw/zinc/03/70/47/338037047.db2.gz	JFBFDWUAPCSRHP-INIZCTEOSA-N	0	3	302.418	2.938	20	30		DFEDHN
CCC1(CC)[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1OC	ZINC000429311866	338077429	/nfs/dbraw/zinc/07/74/29/338077429.db2.gz	VRXLLXKGYOSGRJ-AIANPOQGSA-N	0	3	323.481	2.613	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nccn1Cc1ccccc1	ZINC000429698133	338087654	/nfs/dbraw/zinc/08/76/54/338087654.db2.gz	BRFYZVCCALQLLC-UHFFFAOYSA-N	0	3	312.461	2.871	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1cccc(Cl)c1	ZINC000429711733	338088072	/nfs/dbraw/zinc/08/80/72/338088072.db2.gz	ALBMJWIKFCMEGR-UHFFFAOYSA-N	0	3	309.841	2.718	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(F)c1	ZINC000429714680	338088142	/nfs/dbraw/zinc/08/81/42/338088142.db2.gz	YERHXTLPSBSGGD-CQSZACIVSA-N	0	3	307.413	2.592	20	30		DFEDHN
N#CCCn1cc(CNCC2(CC#N)CC2)c(-c2ccncc2)n1	ZINC000430039503	338094216	/nfs/dbraw/zinc/09/42/16/338094216.db2.gz	YYWGQNZIYRSJTP-UHFFFAOYSA-N	0	3	320.400	2.642	20	30		DFEDHN
COc1ccc(Br)c(CN(C)C(=O)C(C)C#N)c1	ZINC000430197094	338099909	/nfs/dbraw/zinc/09/99/09/338099909.db2.gz	UJIJLXLPWVTSHI-SECBINFHSA-N	0	3	311.179	2.576	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000430701578	338111810	/nfs/dbraw/zinc/11/18/10/338111810.db2.gz	DWOIVFJNUVHVPQ-TZMCWYRMSA-N	0	3	303.431	2.515	20	30		DFEDHN
C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(CC#N)CC1	ZINC000430757579	338114036	/nfs/dbraw/zinc/11/40/36/338114036.db2.gz	WPCLOJMYJABJQD-GFCCVEGCSA-N	0	3	316.361	2.595	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(C[C@@H]1CCOC1)C1CC1	ZINC000433304068	338190723	/nfs/dbraw/zinc/19/07/23/338190723.db2.gz	MHELGRNTAJWEGL-IRXDYDNUSA-N	0	3	312.413	2.786	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000433316094	338191952	/nfs/dbraw/zinc/19/19/52/338191952.db2.gz	HBHSAUKPCTVGDV-MRXNPFEDSA-N	0	3	323.352	2.984	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000433316093	338192019	/nfs/dbraw/zinc/19/20/19/338192019.db2.gz	HBHSAUKPCTVGDV-INIZCTEOSA-N	0	3	323.352	2.984	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1	ZINC000433352879	338193668	/nfs/dbraw/zinc/19/36/68/338193668.db2.gz	JRFTZQDRGCTLGP-QGZVFWFLSA-N	0	3	322.412	2.888	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000433362768	338193867	/nfs/dbraw/zinc/19/38/67/338193867.db2.gz	FTRSDZDZSPRIEA-UHOSZYNNSA-N	0	3	320.392	2.533	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CCO)c1ccccc1	ZINC000433380859	338194242	/nfs/dbraw/zinc/19/42/42/338194242.db2.gz	FZIBLCAWAGQRJW-RTBURBONSA-N	0	3	322.408	2.999	20	30		DFEDHN
C[S@@](=O)C1(CNCc2cccc(OCCCC#N)c2)CCC1	ZINC000435749425	338247835	/nfs/dbraw/zinc/24/78/35/338247835.db2.gz	JDCMJRZUIAFAIE-JOCHJYFZSA-N	0	3	320.458	2.760	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CCC=C(C)C2)c(OC)c1	ZINC000436263813	338264242	/nfs/dbraw/zinc/26/42/42/338264242.db2.gz	OTOBEQZQYMBCJY-KRWDZBQOSA-N	0	3	317.429	2.815	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1	ZINC000155655329	338300045	/nfs/dbraw/zinc/30/00/45/338300045.db2.gz	JIAICWCZHHBKEY-QGZVFWFLSA-N	0	3	302.418	2.600	20	30		DFEDHN
CC1(C)CN(Cc2cccc(OCCCC#N)c2)CC[C@@H]1O	ZINC000438336107	338340125	/nfs/dbraw/zinc/34/01/25/338340125.db2.gz	SSXFLWCMGPUEJT-KRWDZBQOSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	ZINC000439625967	338374943	/nfs/dbraw/zinc/37/49/43/338374943.db2.gz	PATBQIKZEBSXMU-JJXSEGSLSA-N	0	3	308.466	2.593	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1CC(F)(F)C1)C(C)C	ZINC000440553184	338390153	/nfs/dbraw/zinc/39/01/53/338390153.db2.gz	GYXJGMUEZIHYLK-AWEZNQCLSA-N	0	3	300.393	2.847	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1	ZINC000442856342	338435137	/nfs/dbraw/zinc/43/51/37/338435137.db2.gz	DEBBSAYQQBONEF-SJLPKXTDSA-N	0	3	313.445	2.995	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1NC(C)=O	ZINC000447560854	338556993	/nfs/dbraw/zinc/55/69/93/338556993.db2.gz	FXMDVBQGRGDNJW-UKRRQHHQSA-N	0	3	301.390	2.826	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCC[C@H](N3CCCC3)C2)CC12CCCC2	ZINC000448932605	338580289	/nfs/dbraw/zinc/58/02/89/338580289.db2.gz	KGTOJISDQVNCDM-YJBOKZPZSA-N	0	3	301.434	2.547	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCC2	ZINC000451476257	338736113	/nfs/dbraw/zinc/73/61/13/338736113.db2.gz	ULTLSUFFVXZRGM-ARFHVFGLSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(c1ccccc1)C(C)C	ZINC000451682684	338741880	/nfs/dbraw/zinc/74/18/80/338741880.db2.gz	SGFDGGYVTWGLOD-SJORKVTESA-N	0	3	302.418	2.751	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453423490	338841200	/nfs/dbraw/zinc/84/12/00/338841200.db2.gz	FBQLNVDYEWJOFC-OAHLLOKOSA-N	0	3	305.470	2.727	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453451625	338843143	/nfs/dbraw/zinc/84/31/43/338843143.db2.gz	SKFLSJFGRVRAHW-AWEZNQCLSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000457398482	338961789	/nfs/dbraw/zinc/96/17/89/338961789.db2.gz	WQAZHEPJXMQVPU-FGTMMUONSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H]1CC)C(C)C	ZINC000457736115	338976826	/nfs/dbraw/zinc/97/68/26/338976826.db2.gz	CTGYVEZNLZYKRT-ZACQAIPSSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CC1	ZINC000458339689	338996816	/nfs/dbraw/zinc/99/68/16/338996816.db2.gz	TWQRDKVYRKOEMY-IAGOWNOFSA-N	0	3	307.482	2.959	20	30		DFEDHN
CN1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccccc1	ZINC000458565995	339000982	/nfs/dbraw/zinc/00/09/82/339000982.db2.gz	BTWYQFNBUHADTM-CVEARBPZSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(C)nc2scc(C3CC3)n12	ZINC000459567344	339036144	/nfs/dbraw/zinc/03/61/44/339036144.db2.gz	IABQUOXDVMXERS-CYBMUJFWSA-N	0	3	305.447	2.998	20	30		DFEDHN
N#CCCOCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459658909	339041035	/nfs/dbraw/zinc/04/10/35/339041035.db2.gz	JLGRCWUCWACSJI-CYBMUJFWSA-N	0	3	320.355	2.598	20	30		DFEDHN
CCN1CCN(c2ccccc2CNCC(C)(C)CC#N)CC1	ZINC000459659992	339041295	/nfs/dbraw/zinc/04/12/95/339041295.db2.gz	APAIXMMIRVZLFQ-UHFFFAOYSA-N	0	3	314.477	2.858	20	30		DFEDHN
C=CCOCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459671297	339042108	/nfs/dbraw/zinc/04/21/08/339042108.db2.gz	WJLHUDOSFBFYIB-CYBMUJFWSA-N	0	3	307.356	2.870	20	30		DFEDHN
Cc1nc(COc2ccc(CNCC(C)(C)CC#N)cc2)no1	ZINC000459686601	339043127	/nfs/dbraw/zinc/04/31/27/339043127.db2.gz	GBYWGGHSJUZZMR-UHFFFAOYSA-N	0	3	314.389	2.987	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@H](C)[C@H](C)C1)C(C)C	ZINC000465546160	339179321	/nfs/dbraw/zinc/17/93/21/339179321.db2.gz	QRMHSISKHBQRGJ-BBWFWOEESA-N	0	3	307.482	2.982	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@@H](C)CCc2ccccc2)C1=O	ZINC000467518117	339240929	/nfs/dbraw/zinc/24/09/29/339240929.db2.gz	JQUMVYVXMBKMHY-FUHWJXTLSA-N	0	3	300.446	2.974	20	30		DFEDHN
O=C(NCC#Cc1ccccc1)[C@@H]1CCCCN1C1CCCC1	ZINC000469444313	339289518	/nfs/dbraw/zinc/28/95/18/339289518.db2.gz	JKXJLRCHVQPGKJ-IBGZPJMESA-N	0	3	310.441	2.951	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCCc3ccccc32)CC1	ZINC000490593719	339835197	/nfs/dbraw/zinc/83/51/97/339835197.db2.gz	FFVVKCANRACSLY-IBGZPJMESA-N	0	3	310.441	2.916	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1	ZINC000491101109	339848918	/nfs/dbraw/zinc/84/89/18/339848918.db2.gz	IUYSBNYWGFFZQV-KRWDZBQOSA-N	0	3	316.832	2.789	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2c(Cl)cccc2CC)CC1	ZINC000491203822	339853249	/nfs/dbraw/zinc/85/32/49/339853249.db2.gz	ZNZIPYWCOBATQW-UHFFFAOYSA-N	0	3	318.848	2.864	20	30		DFEDHN
C#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1	ZINC000491351569	339858977	/nfs/dbraw/zinc/85/89/77/339858977.db2.gz	UQEPBUHLWJUIPW-OAHLLOKOSA-N	0	3	302.805	2.759	20	30		DFEDHN
C#C[C@H](NC1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)cc1	ZINC000491496276	339864414	/nfs/dbraw/zinc/86/44/14/339864414.db2.gz	PGCDBLWFWVQKEM-INIZCTEOSA-N	0	3	319.836	2.750	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1ccc(-c2ccncc2)cc1	ZINC000491537533	339865878	/nfs/dbraw/zinc/86/58/78/339865878.db2.gz	ROQFEJCBXALJMM-OAHLLOKOSA-N	0	3	307.397	2.539	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000491891699	339886203	/nfs/dbraw/zinc/88/62/03/339886203.db2.gz	JVEQIULBRHWYIS-LLPBQKLSSA-N	0	3	311.307	2.504	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)/C=C\c1cn(CCC#N)c2ccccc12	ZINC000492922209	339912493	/nfs/dbraw/zinc/91/24/93/339912493.db2.gz	MWMGBOGVVJTMEO-KVPUOBJLSA-N	0	3	324.428	2.634	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000494217236	339944016	/nfs/dbraw/zinc/94/40/16/339944016.db2.gz	ULYDEVONXBXNOA-ROUUACIJSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCN(CC=C)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000496217536	340000799	/nfs/dbraw/zinc/00/07/99/340000799.db2.gz	KDIYZPRSDIKBSK-INIZCTEOSA-N	0	3	324.465	2.668	20	30		DFEDHN
C=C[C@H]1CCCCN1CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000496278396	340002097	/nfs/dbraw/zinc/00/20/97/340002097.db2.gz	XSYCFJCXOFCLGB-INIZCTEOSA-N	0	3	323.481	2.580	20	30		DFEDHN
C=CCCCCCN(C)CN1C[C@@]2(CN3CCC2CC3)OC1=O	ZINC000496950267	340016851	/nfs/dbraw/zinc/01/68/51/340016851.db2.gz	PMIVPNAHVQSRCL-GOSISDBHSA-N	0	3	321.465	2.539	20	30		DFEDHN
C[C@H](C#N)OCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000497108918	340020488	/nfs/dbraw/zinc/02/04/88/340020488.db2.gz	SQOXIZCRAVCDBX-KGLIPLIRSA-N	0	3	317.389	2.565	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CSC[C@H]1C	ZINC000507267267	340216207	/nfs/dbraw/zinc/21/62/07/340216207.db2.gz	WXVLQKOGFVFWPG-VNHYZAJKSA-N	0	3	324.515	2.992	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000194636748	340594253	/nfs/dbraw/zinc/59/42/53/340594253.db2.gz	RGAKIUYZVFRZPR-HNNXBMFYSA-N	0	3	307.463	2.508	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1ccccc1	ZINC000543820697	341060459	/nfs/dbraw/zinc/06/04/59/341060459.db2.gz	FJBKDHLMDWIXBC-QGZVFWFLSA-N	0	3	314.433	2.625	20	30		DFEDHN
N#CCc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1	ZINC000544123643	341071170	/nfs/dbraw/zinc/07/11/70/341071170.db2.gz	OFZYUOHZCALZTI-SFHVURJKSA-N	0	3	314.429	2.770	20	30		DFEDHN
CC(C)(C)OC(=O)NC1CCN(CCCSCC#N)CC1	ZINC000072515024	341088731	/nfs/dbraw/zinc/08/87/31/341088731.db2.gz	ZJLWFHGYZOLVAU-UHFFFAOYSA-N	0	3	313.467	2.622	20	30		DFEDHN
C=CCCCN(C)CC(=O)N[C@H](C)Cc1c(F)cccc1F	ZINC000076737020	341213378	/nfs/dbraw/zinc/21/33/78/341213378.db2.gz	AXZWZKSBAUOOEO-CYBMUJFWSA-N	0	3	310.388	2.910	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000079505734	341260377	/nfs/dbraw/zinc/26/03/77/341260377.db2.gz	XXXCITQTJMHWCV-AWEZNQCLSA-N	0	3	303.431	2.516	20	30		DFEDHN
C=CCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000548436907	341260625	/nfs/dbraw/zinc/26/06/25/341260625.db2.gz	ILUSQTSPWIEANJ-QGZVFWFLSA-N	0	3	301.434	2.766	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1OC	ZINC000136842540	341268080	/nfs/dbraw/zinc/26/80/80/341268080.db2.gz	RHUBIDAJICPPGN-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000549807372	341303615	/nfs/dbraw/zinc/30/36/15/341303615.db2.gz	BIRVWLWUXDDXDO-RCCFBDPRSA-N	0	3	312.413	2.833	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](C)[C@@H]1C)C(C)C	ZINC000246599551	341354245	/nfs/dbraw/zinc/35/42/45/341354245.db2.gz	DAWXWHAPHIYTNX-GVDBMIGSSA-N	0	3	323.481	2.504	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000552006554	341359557	/nfs/dbraw/zinc/35/95/57/341359557.db2.gz	SWNAINOXNBKOKW-WCCAFZKYSA-N	0	3	323.506	2.647	20	30		DFEDHN
C[C@@H](SCCN(C)C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157846308	341646530	/nfs/dbraw/zinc/64/65/30/341646530.db2.gz	YQFSHMPPEVNEIY-NPCAHTBFSA-N	0	3	311.495	2.601	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(CC#N)cc1	ZINC000576513506	341850138	/nfs/dbraw/zinc/85/01/38/341850138.db2.gz	HTJQYBIJFQOVDU-QGZVFWFLSA-N	0	3	316.449	2.528	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000580696032	341912205	/nfs/dbraw/zinc/91/22/05/341912205.db2.gz	UGENJOGZJOYFFJ-CRAIPNDOSA-N	0	3	303.450	2.699	20	30		DFEDHN
COc1cc(CNC[C@@H](Cc2ccccc2)OC)ccc1C#N	ZINC000294923946	533878942	/nfs/dbraw/zinc/87/89/42/533878942.db2.gz	YZIWNBPURPFZCT-GOSISDBHSA-N	0	3	310.397	2.914	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1	ZINC000374275111	517332541	/nfs/dbraw/zinc/33/25/41/517332541.db2.gz	SGSFTYMUKFDIPJ-OAHLLOKOSA-N	0	3	305.466	2.859	20	30		DFEDHN
CC(C)N1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285424565	517439929	/nfs/dbraw/zinc/43/99/29/517439929.db2.gz	VZYWOXDGYUHZJW-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cc1nc(NCCCNCc2cccnc2)c(Cl)cc1C#N	ZINC000319774690	534489153	/nfs/dbraw/zinc/48/91/53/534489153.db2.gz	ZGYITSWARUITMP-UHFFFAOYSA-N	0	3	315.808	2.902	20	30		DFEDHN
CC(C)(C)OCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000299372864	526551673	/nfs/dbraw/zinc/55/16/73/526551673.db2.gz	ZDLQWDQNZRZNHS-UHFFFAOYSA-N	0	3	315.461	2.881	20	30		DFEDHN
C=C(C)CCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000681410670	545639571	/nfs/dbraw/zinc/63/95/71/545639571.db2.gz	UFCUPTCMXPVHRQ-INIZCTEOSA-N	0	3	308.447	2.859	20	30		DFEDHN
C=CCOCCN[C@@H](CCn1cncn1)c1ccc(C)cc1	ZINC000682140610	545804246	/nfs/dbraw/zinc/80/42/46/545804246.db2.gz	JRNLSFWFPUSNND-KRWDZBQOSA-N	0	3	300.406	2.510	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCC#Cc1ccccc1	ZINC000683023572	545960761	/nfs/dbraw/zinc/96/07/61/545960761.db2.gz	GJWSQWWUVSODLG-IEBWSBKVSA-N	0	3	310.441	2.665	20	30		DFEDHN
C=CCC[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734298	606746818	/nfs/dbraw/zinc/74/68/18/606746818.db2.gz	LEUPZEKNQAHAQG-CJNGLKHVSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734298	606746819	/nfs/dbraw/zinc/74/68/19/606746819.db2.gz	LEUPZEKNQAHAQG-CJNGLKHVSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734298	606746820	/nfs/dbraw/zinc/74/68/20/606746820.db2.gz	LEUPZEKNQAHAQG-CJNGLKHVSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734298	606746821	/nfs/dbraw/zinc/74/68/21/606746821.db2.gz	LEUPZEKNQAHAQG-CJNGLKHVSA-N	0	3	315.421	2.577	20	30		DFEDHN
C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000821609806	606961158	/nfs/dbraw/zinc/96/11/58/606961158.db2.gz	MOGNMLIDPIHMHI-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000821609806	606961159	/nfs/dbraw/zinc/96/11/59/606961159.db2.gz	MOGNMLIDPIHMHI-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000076737180	185037960	/nfs/dbraw/zinc/03/79/60/185037960.db2.gz	NPXCMHGOPDYBBE-CYBMUJFWSA-N	0	3	303.406	2.870	20	30		DFEDHN
CN(CC1CCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000083185753	185217233	/nfs/dbraw/zinc/21/72/33/185217233.db2.gz	MGKROXMETCWFMK-CQSZACIVSA-N	0	3	303.431	2.847	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000065868913	398348528	/nfs/dbraw/zinc/34/85/28/398348528.db2.gz	YEGNKSBSXYTVRD-MRXNPFEDSA-N	0	3	313.445	2.907	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CC23CCSCC3)CC1	ZINC000448922993	398345857	/nfs/dbraw/zinc/34/58/57/398345857.db2.gz	SOBDUOTXHQMISW-HNNXBMFYSA-N	0	3	308.491	2.676	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CCC[C@H]1CN1CCCCC1	ZINC000596199193	398355485	/nfs/dbraw/zinc/35/54/85/398355485.db2.gz	FQBCTETXDCZEHY-KRWDZBQOSA-N	0	3	321.428	2.956	20	30		DFEDHN
CN1CC=C(CNc2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000286577780	219064127	/nfs/dbraw/zinc/06/41/27/219064127.db2.gz	SBWSRXXNMIBEQJ-UHFFFAOYSA-N	0	3	301.781	2.533	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000081685674	398366427	/nfs/dbraw/zinc/36/64/27/398366427.db2.gz	XDEOVTWONJWJHX-ZWKOTPCHSA-N	0	3	313.445	2.708	20	30		DFEDHN
CC[C@@H](F)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000331303767	529551542	/nfs/dbraw/zinc/55/15/42/529551542.db2.gz	QPBAVBVOJYNZPS-OAHLLOKOSA-N	0	3	303.381	2.957	20	30		DFEDHN
Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596255157	398369209	/nfs/dbraw/zinc/36/92/09/398369209.db2.gz	KSRFMGDTDGCIPC-LBPRGKRZSA-N	0	3	314.389	2.695	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2cc(C#N)cnn2)CC1	ZINC000596261167	398370785	/nfs/dbraw/zinc/37/07/85/398370785.db2.gz	NVKSWGSRPGFTAC-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)/C=C/c1cccc(C#N)c1	ZINC000088250757	185243779	/nfs/dbraw/zinc/24/37/79/185243779.db2.gz	XWXSKBIFWVCPDD-CMDGGOBGSA-N	0	3	323.396	2.755	20	30		DFEDHN
N#Cc1ccc(Cl)cc1N1CCC(N2CCCOCC2)CC1	ZINC000596267883	398372005	/nfs/dbraw/zinc/37/20/05/398372005.db2.gz	BDPSADGDXOVULN-UHFFFAOYSA-N	0	3	319.836	2.903	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(F)ccc2OC(C)C)CC1	ZINC000066432823	398377481	/nfs/dbraw/zinc/37/74/81/398377481.db2.gz	ZPNXXOURYRQNFL-UHFFFAOYSA-N	0	3	318.392	2.897	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC[C@@H](C)C1	ZINC000578743504	398375820	/nfs/dbraw/zinc/37/58/20/398375820.db2.gz	HGCZTTLJFDXANE-CVEARBPZSA-N	0	3	320.481	2.832	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000578887015	398376235	/nfs/dbraw/zinc/37/62/35/398376235.db2.gz	GISRLJGISIBYRD-OUCADQQQSA-N	0	3	319.371	2.752	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2cccc(Cl)c2)CC1	ZINC000592068727	398379472	/nfs/dbraw/zinc/37/94/72/398379472.db2.gz	VKQWLZLGJOXIQI-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1	ZINC000272829274	210227648	/nfs/dbraw/zinc/22/76/48/210227648.db2.gz	HGZQBNKZCLMZBT-IAGOWNOFSA-N	0	3	307.459	2.588	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN1CCC(CCC#N)CC1	ZINC000581367580	398389935	/nfs/dbraw/zinc/38/99/35/398389935.db2.gz	GJKHNMNHTDZWRD-KRWDZBQOSA-N	0	3	302.418	2.751	20	30		DFEDHN
N#CC[C@]1(O)CCN(CCCc2ccc(C(F)(F)F)cc2)C1	ZINC000592152400	398392780	/nfs/dbraw/zinc/39/27/80/398392780.db2.gz	XBJYTYHKDMYHQO-HNNXBMFYSA-N	0	3	312.335	2.988	20	30		DFEDHN
N#CC1(CCCN[C@H](CCO)c2ccccc2F)CCOCC1	ZINC000592159737	398395034	/nfs/dbraw/zinc/39/50/34/398395034.db2.gz	FDGYPZVUVMWMQV-QGZVFWFLSA-N	0	3	320.408	2.939	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(c2cnn(C)c2)CC1	ZINC000092808871	185342707	/nfs/dbraw/zinc/34/27/07/185342707.db2.gz	KBNFPSPSBPUNCA-UHFFFAOYSA-N	0	3	309.413	2.812	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C	ZINC000596391258	398401857	/nfs/dbraw/zinc/40/18/57/398401857.db2.gz	CKFHRFSECNIRKA-CZUORRHYSA-N	0	3	314.433	2.575	20	30		DFEDHN
CC[C@@H](NCc1ccc(C#N)cc1)C(=O)NCc1cccs1	ZINC000592374074	398417256	/nfs/dbraw/zinc/41/72/56/398417256.db2.gz	COLTYWBWJVYEAW-MRXNPFEDSA-N	0	3	313.426	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCSc2ccccn2)CC1	ZINC000087318153	398428403	/nfs/dbraw/zinc/42/84/03/398428403.db2.gz	XTUQDSGWTCFGAH-UHFFFAOYSA-N	0	3	319.474	2.721	20	30		DFEDHN
C=CCOCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000596473184	398422614	/nfs/dbraw/zinc/42/26/14/398422614.db2.gz	NHMADBCSPKLMFC-UHFFFAOYSA-N	0	3	301.346	2.878	20	30		DFEDHN
C[C@@H]1CC2(CN1Cc1cnc3ccc(C#N)cn13)CCOCC2	ZINC000592527167	398443078	/nfs/dbraw/zinc/44/30/78/398443078.db2.gz	LWRWPOVGEMNFBU-CQSZACIVSA-N	0	3	310.401	2.597	20	30		DFEDHN
CC1(C)Cc2n[nH]cc2CN(CCCC2(C#N)CCOCC2)C1	ZINC000596597437	398456688	/nfs/dbraw/zinc/45/66/88/398456688.db2.gz	SBRIUAACROXWMV-UHFFFAOYSA-N	0	3	316.449	2.895	20	30		DFEDHN
N#Cc1cc(F)c(NC2CCN([C@@H]3CCOC3)CC2)c(F)c1	ZINC000089602692	398459396	/nfs/dbraw/zinc/45/93/96/398459396.db2.gz	YRAHGJWWTHBXIB-CYBMUJFWSA-N	0	3	307.344	2.502	20	30		DFEDHN
N#Cc1cc(Cl)ccc1NC1CCN([C@H]2CCOC2)CC1	ZINC000089603296	398459722	/nfs/dbraw/zinc/45/97/22/398459722.db2.gz	VEMKHKTVOHNYLA-HNNXBMFYSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnc2n1CCCC2	ZINC000586840864	398466983	/nfs/dbraw/zinc/46/69/83/398466983.db2.gz	QYHZWUPANOQWFM-INIZCTEOSA-N	0	3	322.412	2.608	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000027776950	398467193	/nfs/dbraw/zinc/46/71/93/398467193.db2.gz	ZASCCHLNJHNABX-IBGZPJMESA-N	0	3	322.408	2.986	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1	ZINC000068132810	398481412	/nfs/dbraw/zinc/48/14/12/398481412.db2.gz	OTYSPBRCRXDPSM-SFHVURJKSA-N	0	3	311.429	2.843	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000596703451	398481495	/nfs/dbraw/zinc/48/14/95/398481495.db2.gz	MLKSYOGFXILEKI-CQSZACIVSA-N	0	3	316.405	2.563	20	30		DFEDHN
C=CCCSCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000596717245	398484981	/nfs/dbraw/zinc/48/49/81/398484981.db2.gz	KYMSSLGAYAXFIT-AWEZNQCLSA-N	0	3	313.511	2.667	20	30		DFEDHN
CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C)C1	ZINC000592829518	398491978	/nfs/dbraw/zinc/49/19/78/398491978.db2.gz	PCEDIWZFPQSZFM-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(NCc2ccc(C#N)o2)CC1	ZINC000230654077	201880903	/nfs/dbraw/zinc/88/09/03/201880903.db2.gz	KSRLUTIGGAANAJ-UHFFFAOYSA-N	0	3	305.378	2.640	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)CSc1cc(C#N)ccn1	ZINC000303377300	398498525	/nfs/dbraw/zinc/49/85/25/398498525.db2.gz	PFLVNZAEQHQUJI-MRXNPFEDSA-N	0	3	313.426	2.538	20	30		DFEDHN
C=CCCCCCN(C)C(=O)c1ccnc(OCCN(C)C)c1	ZINC000272706980	210110862	/nfs/dbraw/zinc/11/08/62/210110862.db2.gz	UKWVMRQWEHHWBB-UHFFFAOYSA-N	0	3	319.449	2.840	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1	ZINC000592879691	398503168	/nfs/dbraw/zinc/50/31/68/398503168.db2.gz	BPEIAMCGMAUEIO-QAPCUYQASA-N	0	3	323.396	2.535	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1F)c1ccc(C#N)cc1	ZINC000030532708	398503571	/nfs/dbraw/zinc/50/35/71/398503571.db2.gz	ZFBXXQGZZXYEJE-BBRMVZONSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000030532651	398503709	/nfs/dbraw/zinc/50/37/09/398503709.db2.gz	WKNZWVTYYZYTOP-KDOFPFPSSA-N	0	3	321.380	2.520	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCCC[C@@H]1C	ZINC000596799644	398504296	/nfs/dbraw/zinc/50/42/96/398504296.db2.gz	ZCJHXZHVWWOSEF-RYUDHWBXSA-N	0	3	321.371	2.829	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)c(F)c1	ZINC000305308617	398505877	/nfs/dbraw/zinc/50/58/77/398505877.db2.gz	LBBKDCCRYMUIEU-INIZCTEOSA-N	0	3	314.360	2.569	20	30		DFEDHN
Cc1cc(C#N)cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1	ZINC000588829682	398510168	/nfs/dbraw/zinc/51/01/68/398510168.db2.gz	MGNZHESPLLXSBM-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1	ZINC000596879516	398521260	/nfs/dbraw/zinc/52/12/60/398521260.db2.gz	BVZFMPDZIMLOFK-INIZCTEOSA-N	0	3	314.433	2.577	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000596926344	398530516	/nfs/dbraw/zinc/53/05/16/398530516.db2.gz	TYVNRYSNSLXQME-HNNXBMFYSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000091507190	398534938	/nfs/dbraw/zinc/53/49/38/398534938.db2.gz	PCPFBCLUGOFPTK-GOSISDBHSA-N	0	3	321.509	2.751	20	30		DFEDHN
C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000596972483	398538857	/nfs/dbraw/zinc/53/88/57/398538857.db2.gz	BDKLKVVWLBBGOV-CYBMUJFWSA-N	0	3	307.825	2.780	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCCCC2CCCC2)c1	ZINC000318768481	398539859	/nfs/dbraw/zinc/53/98/59/398539859.db2.gz	MLAKGQVWBKGUMP-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(NC(=O)C4CC4)CC3)cc2)CC1	ZINC000596982845	398540622	/nfs/dbraw/zinc/54/06/22/398540622.db2.gz	LDGQXNYLFDLELI-UHFFFAOYSA-N	0	3	323.440	2.732	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2)[C@H](Cc2ccccc2)C1	ZINC000593088624	398541331	/nfs/dbraw/zinc/54/13/31/398541331.db2.gz	IYUOFVYVEMDRPI-HXUWFJFHSA-N	0	3	305.425	2.917	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2[C@H](C)C1	ZINC000593090944	398543011	/nfs/dbraw/zinc/54/30/11/398543011.db2.gz	KYXKJDLDWOPWGJ-CABCVRRESA-N	0	3	311.429	2.599	20	30		DFEDHN
CN1CCN(Cc2cccc(C#N)c2)[C@H](Cc2ccccc2)C1	ZINC000593088843	398541754	/nfs/dbraw/zinc/54/17/54/398541754.db2.gz	LZZLIQMCGMPWHI-HXUWFJFHSA-N	0	3	305.425	2.917	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000589349771	398548145	/nfs/dbraw/zinc/54/81/45/398548145.db2.gz	BCAOZUHJOHVIEY-CYBMUJFWSA-N	0	3	304.369	2.693	20	30		DFEDHN
CC(C)(C)C(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000320124342	398545338	/nfs/dbraw/zinc/54/53/38/398545338.db2.gz	NSGITKOGINRHPT-UHFFFAOYSA-N	0	3	322.474	2.994	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cccc(C#N)n1	ZINC000589378526	398550223	/nfs/dbraw/zinc/55/02/23/398550223.db2.gz	GHORWXSVNGFFRG-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
Cc1cccc(CN(C)C[C@H](O)COc2ccccc2C#N)c1	ZINC000321624629	398553958	/nfs/dbraw/zinc/55/39/58/398553958.db2.gz	UUWBRALPNVALAV-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1ccnc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1	ZINC000593138946	398556332	/nfs/dbraw/zinc/55/63/32/398556332.db2.gz	DQLSRVIIJJKUPG-QWRGUYRKSA-N	0	3	313.279	2.639	20	30		DFEDHN
Cc1cc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1C#N	ZINC000589521398	398558137	/nfs/dbraw/zinc/55/81/37/398558137.db2.gz	ZFXRBRYBTGJKFC-QZTJIDSGSA-N	0	3	314.429	2.667	20	30		DFEDHN
N#Cc1cc(CN2CCCN(Cc3ccccc3)CC2)ccn1	ZINC000323384887	398560365	/nfs/dbraw/zinc/56/03/65/398560365.db2.gz	IMXWMZMLRSQGHB-UHFFFAOYSA-N	0	3	306.413	2.661	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccnc(C#N)c2)C1	ZINC000323870255	398561653	/nfs/dbraw/zinc/56/16/53/398561653.db2.gz	ZIGKODVPSQBLMX-QGZVFWFLSA-N	0	3	320.440	2.907	20	30		DFEDHN
C=C(C)CS(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000280556644	334968104	/nfs/dbraw/zinc/96/81/04/334968104.db2.gz	JRMRRVWLSZSJDP-AWEZNQCLSA-N	0	3	310.463	2.611	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(C)C2)c1	ZINC000589739988	398573167	/nfs/dbraw/zinc/57/31/67/398573167.db2.gz	GXDCTYGCGIMSGB-HNNXBMFYSA-N	0	3	303.406	2.857	20	30		DFEDHN
CN1CCN(c2cccc(Cl)c2CNCCCCC#N)CC1	ZINC000092388971	398573236	/nfs/dbraw/zinc/57/32/36/398573236.db2.gz	AIOJPFCULUAZAQ-UHFFFAOYSA-N	0	3	320.868	2.875	20	30		DFEDHN
CN1CCC(N(C(=O)c2cccc(C#N)n2)c2ccccc2)CC1	ZINC000589754336	398574410	/nfs/dbraw/zinc/57/44/10/398574410.db2.gz	MDKJJBPEHANDIJ-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000597177441	398582444	/nfs/dbraw/zinc/58/24/44/398582444.db2.gz	MIOFXNVDWXHUJN-LSDHHAIUSA-N	0	3	316.401	2.753	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C)nc1C(=O)OCC	ZINC000597174540	398582505	/nfs/dbraw/zinc/58/25/05/398582505.db2.gz	XOLXDBQITZQNDH-HIFRSBDPSA-N	0	3	305.422	2.821	20	30		DFEDHN
C=CCOCCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000348167541	398582946	/nfs/dbraw/zinc/58/29/46/398582946.db2.gz	JXDACCRMWUQWEG-DOTOQJQBSA-N	0	3	322.836	2.794	20	30		DFEDHN
C[C@H](CN[C@@H]1CCCC[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000597195970	398587780	/nfs/dbraw/zinc/58/77/80/398587780.db2.gz	PDPXNTGIYYJRCB-FRFSOERESA-N	0	3	320.458	2.866	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC1CCN(C(=O)c2ccoc2)CC1	ZINC000597199662	398588428	/nfs/dbraw/zinc/58/84/28/398588428.db2.gz	VNWPOWWZEHZLHB-BBRMVZONSA-N	0	3	301.390	2.556	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CN[C@H]2CCCC[C@H]2C#N)cn1	ZINC000597196934	398587525	/nfs/dbraw/zinc/58/75/25/398587525.db2.gz	VHASUDZUJFEBEV-NXNVCVFFSA-N	0	3	302.422	2.560	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000593313703	398595855	/nfs/dbraw/zinc/59/58/55/398595855.db2.gz	LXIJMPKVMSBOJT-INIZCTEOSA-N	0	3	314.433	2.560	20	30		DFEDHN
CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)c1ccccc1	ZINC000070790017	398599338	/nfs/dbraw/zinc/59/93/38/398599338.db2.gz	ATZGLRNWTQCJJT-OAHLLOKOSA-N	0	3	311.345	2.576	20	30		DFEDHN
CC1CCN(C[C@H](O)CNc2ccc3cc(C#N)ccc3n2)CC1	ZINC000092896990	398606098	/nfs/dbraw/zinc/60/60/98/398606098.db2.gz	VLBUVSGZWUGEMG-QGZVFWFLSA-N	0	3	324.428	2.611	20	30		DFEDHN
COc1ccc(CN(C)C2(CO)CCC2)cc1OCCCC#N	ZINC000597256231	398608054	/nfs/dbraw/zinc/60/80/54/398608054.db2.gz	UEMPJSORAUAKGB-UHFFFAOYSA-N	0	3	318.417	2.725	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(CC2(C#N)CC2)n1	ZINC000590268997	398608903	/nfs/dbraw/zinc/60/89/03/398608903.db2.gz	RWTVDKCIOLNQIA-UHFFFAOYSA-N	0	3	312.373	2.523	20	30		DFEDHN
Cc1ccc(NC(=O)CC2(C#N)CC2)c(OCCN(C)C)c1	ZINC000590267336	398608919	/nfs/dbraw/zinc/60/89/19/398608919.db2.gz	BZSLWVKFOKQTOV-UHFFFAOYSA-N	0	3	301.390	2.568	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)CC#N	ZINC000597321686	398620511	/nfs/dbraw/zinc/62/05/11/398620511.db2.gz	NSJDBVRTKPNILQ-SJLPKXTDSA-N	0	3	313.445	2.907	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000593423697	398624240	/nfs/dbraw/zinc/62/42/40/398624240.db2.gz	PNTUYNWFFGOKPG-HNNXBMFYSA-N	0	3	311.429	2.585	20	30		DFEDHN
CC[C@H](C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000593446440	398632128	/nfs/dbraw/zinc/63/21/28/398632128.db2.gz	PHKPHVRBYHFDBY-GOSISDBHSA-N	0	3	313.445	2.703	20	30		DFEDHN
CO[C@](C)(CN1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1	ZINC000590594694	398636685	/nfs/dbraw/zinc/63/66/85/398636685.db2.gz	LDIDJPQAZAEOHU-RBUKOAKNSA-N	0	3	313.445	2.684	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]2C[C@@H](C)O)cc(OC)c1O	ZINC000093482494	398639351	/nfs/dbraw/zinc/63/93/51/398639351.db2.gz	GVGXIMOZTYCVJZ-CJNGLKHVSA-N	0	3	305.418	2.865	20	30		DFEDHN
CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)CC#N)c2)CC1	ZINC000597459286	398645300	/nfs/dbraw/zinc/64/53/00/398645300.db2.gz	LKZBNIPXWKLXBN-OAHLLOKOSA-N	0	3	314.433	2.705	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000281071312	334972215	/nfs/dbraw/zinc/97/22/15/334972215.db2.gz	ZTRHHHVIZLRWGN-KRWDZBQOSA-N	0	3	324.852	2.557	20	30		DFEDHN
CC(C)Oc1ccc2nccc(NC3CCN(CC#N)CC3)c2c1	ZINC000590689929	398652136	/nfs/dbraw/zinc/65/21/36/398652136.db2.gz	AGPXKDBOYDZQKI-UHFFFAOYSA-N	0	3	324.428	2.844	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccc(C(F)F)cc2)C1	ZINC000368785116	398652163	/nfs/dbraw/zinc/65/21/63/398652163.db2.gz	TVLZBURTOCTEHU-DZGCQCFKSA-N	0	3	320.383	2.627	20	30		DFEDHN
N#CC1(C(=O)N2CCC[C@H](N3CCCCC3)C2)CCCCC1	ZINC000369098506	398653097	/nfs/dbraw/zinc/65/30/97/398653097.db2.gz	RGAUQEXKDDHIDP-INIZCTEOSA-N	0	3	303.450	2.937	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N[C@H]2CCCN(CCCO)C2)n1	ZINC000590708720	398656774	/nfs/dbraw/zinc/65/67/74/398656774.db2.gz	CSBGHWYFMOUMIH-HNNXBMFYSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1	ZINC000171976364	198018882	/nfs/dbraw/zinc/01/88/82/198018882.db2.gz	NZAXJWHFZFTNIO-JKSUJKDBSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)cc1	ZINC000172154485	198048293	/nfs/dbraw/zinc/04/82/93/198048293.db2.gz	VAWZQCJFXQHULI-QGZVFWFLSA-N	0	3	314.433	2.622	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(C)s2)CC1	ZINC000172384154	198089389	/nfs/dbraw/zinc/08/93/89/198089389.db2.gz	OBHRXDMNYIWLQR-CYBMUJFWSA-N	0	3	321.490	2.937	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC(=O)NC1(C#N)CCC1	ZINC000590746874	398665136	/nfs/dbraw/zinc/66/51/36/398665136.db2.gz	FTXZBDJAPQTZCD-HLLBOEOZSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccccc2F)CC1	ZINC000172349824	198083982	/nfs/dbraw/zinc/08/39/82/198083982.db2.gz	VLBRABHZMZBIIJ-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(c3ccccc3F)CC2)CC1	ZINC000172463425	198100854	/nfs/dbraw/zinc/10/08/54/198100854.db2.gz	WBWTUYBUOVPOAU-UHFFFAOYSA-N	0	3	317.408	2.764	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)[C@H](C#N)CCc1ccccc1	ZINC000597603164	398667399	/nfs/dbraw/zinc/66/73/99/398667399.db2.gz	ABXZWLUJKKPGLS-ROUUACIJSA-N	0	3	313.445	2.702	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCSC[C@H]1C1CC1	ZINC000590758674	398667993	/nfs/dbraw/zinc/66/79/93/398667993.db2.gz	IJVBHVFMQZVPFD-ZDUSSCGKSA-N	0	3	321.471	2.776	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@H](C)CC#N)C2)s1	ZINC000597642406	398672747	/nfs/dbraw/zinc/67/27/47/398672747.db2.gz	YEMXLEBFIUPINH-HIFRSBDPSA-N	0	3	319.474	2.887	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000597640618	398672778	/nfs/dbraw/zinc/67/27/78/398672778.db2.gz	CPOFPTJGFPEYRL-OCCSQVGLSA-N	0	3	307.825	2.651	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@H](C)CC#N)C2)s1	ZINC000597642407	398672902	/nfs/dbraw/zinc/67/29/02/398672902.db2.gz	YEMXLEBFIUPINH-UKRRQHHQSA-N	0	3	319.474	2.887	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000593702134	398674079	/nfs/dbraw/zinc/67/40/79/398674079.db2.gz	CRBZWKOXZGJEJL-TZMCWYRMSA-N	0	3	307.825	2.651	20	30		DFEDHN
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597652167	398674488	/nfs/dbraw/zinc/67/44/88/398674488.db2.gz	OIIHQUSWKGYWMS-MEDUHNTESA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597651866	398674513	/nfs/dbraw/zinc/67/45/13/398674513.db2.gz	OIIHQUSWKGYWMS-BZNIZROVSA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597648960	398673478	/nfs/dbraw/zinc/67/34/78/398673478.db2.gz	TVIKUUCJHDUPQA-DGCLKSJQSA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1nccn1C	ZINC000593723757	398677350	/nfs/dbraw/zinc/67/73/50/398677350.db2.gz	YIVCXOHRGJZMGY-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
Cn1c(=O)ccc2c1CCC[C@H]2N[C@H]1CCc2ccc(C#N)cc21	ZINC000593724984	398678234	/nfs/dbraw/zinc/67/82/34/398678234.db2.gz	DGNWSIUUCMQFLP-MSOLQXFVSA-N	0	3	319.408	2.911	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)Cc2cccs2)CC1	ZINC000173199807	198194462	/nfs/dbraw/zinc/19/44/62/198194462.db2.gz	KKTITFYIUUDWJS-CQSZACIVSA-N	0	3	321.490	2.876	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1	ZINC000597706598	398683581	/nfs/dbraw/zinc/68/35/81/398683581.db2.gz	XQHCUFAJUFKGRL-DOMZBBRYSA-N	0	3	305.447	2.677	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(C2(O)CC2)CC1	ZINC000593770081	398683698	/nfs/dbraw/zinc/68/36/98/398683698.db2.gz	PXJXHLWMHXUOBK-INIZCTEOSA-N	0	3	312.413	2.522	20	30		DFEDHN
N#CC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCCC1	ZINC000593787169	398687464	/nfs/dbraw/zinc/68/74/64/398687464.db2.gz	SKYJFURXOPRAPA-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000590854940	398687571	/nfs/dbraw/zinc/68/75/71/398687571.db2.gz	GZKASALXUXBPOT-HNNXBMFYSA-N	0	3	300.406	2.749	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C)cc(C#N)c1	ZINC000590858397	398688825	/nfs/dbraw/zinc/68/88/25/398688825.db2.gz	OUDGCXXOSLEUTO-OAHLLOKOSA-N	0	3	300.406	2.863	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC2(C#N)CC2)C1	ZINC000590874738	398692336	/nfs/dbraw/zinc/69/23/36/398692336.db2.gz	ZCVXGKRIEJQKEM-INIZCTEOSA-N	0	3	311.429	2.661	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1CN(C2CCCCC2)C1	ZINC000590911379	398699607	/nfs/dbraw/zinc/69/96/07/398699607.db2.gz	JJUBGVYUIHDMRN-IBGZPJMESA-N	0	3	323.440	2.926	20	30		DFEDHN
COc1ccc(COCCCNCc2ccc(C#N)o2)cc1	ZINC000174341166	198322228	/nfs/dbraw/zinc/32/22/28/198322228.db2.gz	XMBNSPQBUIKZRC-UHFFFAOYSA-N	0	3	300.358	2.856	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NC1(c2ccccc2Cl)CCC1	ZINC000593912984	398703078	/nfs/dbraw/zinc/70/30/78/398703078.db2.gz	VHALHFDTKVBHKM-AWEZNQCLSA-N	0	3	305.809	2.857	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCCCC1	ZINC000597848841	398704780	/nfs/dbraw/zinc/70/47/80/398704780.db2.gz	IAOGJFZFWQAYJQ-GDBMZVCRSA-N	0	3	300.402	2.946	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c2cc(F)ccc2O1	ZINC000593916113	398703160	/nfs/dbraw/zinc/70/31/60/398703160.db2.gz	AWPHXRSYDNTAJH-ZIAGYGMSSA-N	0	3	319.380	2.565	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000590944259	398705623	/nfs/dbraw/zinc/70/56/23/398705623.db2.gz	QXGILSFHERYEFE-NXOAAHMSSA-N	0	3	318.465	2.727	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000597860209	398706093	/nfs/dbraw/zinc/70/60/93/398706093.db2.gz	LXVFBSOKOXVYOQ-IRXDYDNUSA-N	0	3	313.445	2.748	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCC(C)(C)CC#N	ZINC000590949149	398706282	/nfs/dbraw/zinc/70/62/82/398706282.db2.gz	PFOFVQNGDWPCNH-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000597860210	398706489	/nfs/dbraw/zinc/70/64/89/398706489.db2.gz	LXVFBSOKOXVYOQ-SJORKVTESA-N	0	3	313.445	2.748	20	30		DFEDHN
C[C@@H](CCC#N)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000591013321	398714630	/nfs/dbraw/zinc/71/46/30/398714630.db2.gz	FXUWESOAAQKLDU-ZFWWWQNUSA-N	0	3	317.437	2.535	20	30		DFEDHN
COc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000597897080	398715260	/nfs/dbraw/zinc/71/52/60/398715260.db2.gz	JIRHVJATODOUTG-KRWDZBQOSA-N	0	3	323.396	2.821	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000593992795	398716367	/nfs/dbraw/zinc/71/63/67/398716367.db2.gz	FVYBDBXBXDMMBG-KRWDZBQOSA-N	0	3	311.429	2.603	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2cccc(CC#N)c2)cc1	ZINC000046723543	398716539	/nfs/dbraw/zinc/71/65/39/398716539.db2.gz	XBBBIVVTKBZXIN-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1	ZINC000597905186	398717425	/nfs/dbraw/zinc/71/74/25/398717425.db2.gz	NWGPKJVFBBXQJJ-DOTOQJQBSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCSC[C@H]1C1CC1	ZINC000591039261	398718881	/nfs/dbraw/zinc/71/88/81/398718881.db2.gz	YVASHIAKWMYZES-INIZCTEOSA-N	0	3	315.442	2.714	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1	ZINC000176896072	198634498	/nfs/dbraw/zinc/63/44/98/198634498.db2.gz	CHDMYSRMISZOQK-UHFFFAOYSA-N	0	3	320.383	2.661	20	30		DFEDHN
CCC(C)(C)N1CCN(CCOc2ccccc2C#N)CC1	ZINC000594020255	398723949	/nfs/dbraw/zinc/72/39/49/398723949.db2.gz	FGAHPFJAYGKESH-UHFFFAOYSA-N	0	3	301.434	2.743	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@H](OC2CCC2)C1	ZINC000594026354	398724699	/nfs/dbraw/zinc/72/46/99/398724699.db2.gz	JSUMJYJPEYFMJS-KRWDZBQOSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(C)[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1	ZINC000173860878	535263625	/nfs/dbraw/zinc/26/36/25/535263625.db2.gz	WBKOVLQOGFKTRS-INIZCTEOSA-N	0	3	317.458	2.960	20	30		DFEDHN
CN(CCC(=O)NC(C)(C)c1cccc(C#N)c1)c1ccncc1	ZINC000597950443	398726261	/nfs/dbraw/zinc/72/62/61/398726261.db2.gz	SKGRMNOOJNVNDG-UHFFFAOYSA-N	0	3	322.412	2.831	20	30		DFEDHN
CC(C)COC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033264	398726467	/nfs/dbraw/zinc/72/64/67/398726467.db2.gz	YECAHIRJRXSALR-QGZVFWFLSA-N	0	3	302.418	2.561	20	30		DFEDHN
CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCCO1	ZINC000594039673	398727950	/nfs/dbraw/zinc/72/79/50/398727950.db2.gz	BNRQYUXMIUOFHV-HOCLYGCPSA-N	0	3	303.362	2.904	20	30		DFEDHN
CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCCO1	ZINC000594039672	398727966	/nfs/dbraw/zinc/72/79/66/398727966.db2.gz	BNRQYUXMIUOFHV-GOEBONIOSA-N	0	3	303.362	2.904	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C3CCC3)C2)cc1	ZINC000591127077	398729320	/nfs/dbraw/zinc/72/93/20/398729320.db2.gz	ZUNZXNLXOACVGX-MSOLQXFVSA-N	0	3	307.397	2.889	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC=CCC1	ZINC000047010650	398732648	/nfs/dbraw/zinc/73/26/48/398732648.db2.gz	QFZQXKHUFGNVQE-GOSISDBHSA-N	0	3	311.429	2.805	20	30		DFEDHN
Cn1cc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1C#N	ZINC000276985712	213219835	/nfs/dbraw/zinc/21/98/35/213219835.db2.gz	VCKQNFZTOCKNGR-CQSZACIVSA-N	0	3	307.756	2.512	20	30		DFEDHN
N#Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1F	ZINC000594070371	398737133	/nfs/dbraw/zinc/73/71/33/398737133.db2.gz	YZLCXHGZRWPVMP-CVEARBPZSA-N	0	3	316.380	2.836	20	30		DFEDHN
C[C@H](CO)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000598019479	398738133	/nfs/dbraw/zinc/73/81/33/398738133.db2.gz	LZQQTXJULVUKCP-BPQIPLTHSA-N	0	3	314.429	2.768	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000598016295	398737424	/nfs/dbraw/zinc/73/74/24/398737424.db2.gz	KNMVCLFGRNOAKY-TZMCWYRMSA-N	0	3	302.374	2.735	20	30		DFEDHN
CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCN(CC)C1	ZINC000598038237	398741731	/nfs/dbraw/zinc/74/17/31/398741731.db2.gz	BAFNEPNTJIQRIM-ZWKOTPCHSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCCN(C(=O)Nc1scc(C)c1C#N)[C@@H]1CCN(C)C1	ZINC000594106619	398745040	/nfs/dbraw/zinc/74/50/40/398745040.db2.gz	ZVFGZTMLKZYPAA-GFCCVEGCSA-N	0	3	306.435	2.876	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1CCO	ZINC000598066263	398746366	/nfs/dbraw/zinc/74/63/66/398746366.db2.gz	CEUVXJCWUPDLAB-NJAFHUGGSA-N	0	3	314.429	2.768	20	30		DFEDHN
CN(C)CCN(C(=O)Nc1cccc(C#N)c1)C1CCCC1	ZINC000076485822	191652025	/nfs/dbraw/zinc/65/20/25/191652025.db2.gz	IFYLHYCVDRHJGM-UHFFFAOYSA-N	0	3	300.406	2.896	20	30		DFEDHN
C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1	ZINC000591377349	398754455	/nfs/dbraw/zinc/75/44/55/398754455.db2.gz	PJPYKSBPBZUKEF-XPKDYRNWSA-N	0	3	315.442	2.537	20	30		DFEDHN
C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1	ZINC000591377346	398754586	/nfs/dbraw/zinc/75/45/86/398754586.db2.gz	PJPYKSBPBZUKEF-INWMFGNUSA-N	0	3	315.442	2.537	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)cn1	ZINC000133250689	283145075	/nfs/dbraw/zinc/14/50/75/283145075.db2.gz	ITBLPGXGEOOJMG-UHFFFAOYSA-N	0	3	322.412	2.594	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c(F)c1	ZINC000594195956	398762950	/nfs/dbraw/zinc/76/29/50/398762950.db2.gz	JJIYKRXOJNFYOJ-LSDHHAIUSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#Cc1ccc(F)c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000372363159	283151423	/nfs/dbraw/zinc/15/14/23/283151423.db2.gz	BCEDWULBUCAKNW-LJQANCHMSA-N	0	3	321.355	2.793	20	30		DFEDHN
COc1ccc([C@H](NC2CCN(CC#N)CC2)C2CC2)c(F)c1	ZINC000591531591	398770095	/nfs/dbraw/zinc/77/00/95/398770095.db2.gz	MNYWSIKJJQHFDA-GOSISDBHSA-N	0	3	317.408	2.863	20	30		DFEDHN
Cc1nc(-c2ccc(NC(=O)[C@@]3(C#N)CCNC3)cc2)cs1	ZINC000591590155	398774427	/nfs/dbraw/zinc/77/44/27/398774427.db2.gz	FCSADNIHRDKDCP-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCCN1C1CC1)C2	ZINC000594241822	398772880	/nfs/dbraw/zinc/77/28/80/398772880.db2.gz	IDYLIFSLHFOUHN-GOSISDBHSA-N	0	3	324.428	2.600	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCNC1	ZINC000591611995	398776084	/nfs/dbraw/zinc/77/60/84/398776084.db2.gz	UWXXGMYQSWHJGU-IUODEOHRSA-N	0	3	324.211	2.600	20	30		DFEDHN
N#C[C@@]1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCNC1	ZINC000591611992	398776235	/nfs/dbraw/zinc/77/62/35/398776235.db2.gz	UWXXGMYQSWHJGU-DOMZBBRYSA-N	0	3	324.211	2.600	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594287924	398779860	/nfs/dbraw/zinc/77/98/60/398779860.db2.gz	CHMZWXZTWDOTPP-MAUKXSAKSA-N	0	3	313.445	2.727	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccn1	ZINC000048348590	398781043	/nfs/dbraw/zinc/78/10/43/398781043.db2.gz	SBISEEDGWAUMJU-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)c2ccc(CC)cc2)CC1	ZINC000081701857	192315275	/nfs/dbraw/zinc/31/52/75/192315275.db2.gz	QANHBHOZQKMNSY-UHFFFAOYSA-N	0	3	312.457	2.946	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@@H]1CCC(C)(C)c2ccccc21	ZINC000591728132	398782437	/nfs/dbraw/zinc/78/24/37/398782437.db2.gz	FJFIPDKQKFWXPN-MAUKXSAKSA-N	0	3	315.461	2.595	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCc2cc(C#N)ccc21	ZINC000591763746	398785549	/nfs/dbraw/zinc/78/55/49/398785549.db2.gz	GUQSMYOUMCCZAL-PKOBYXMFSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000591759479	398784600	/nfs/dbraw/zinc/78/46/00/398784600.db2.gz	UARQRHJLWDCAFQ-JTQLQIEISA-N	0	3	303.189	2.626	20	30		DFEDHN
C=C(CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000591767166	398786235	/nfs/dbraw/zinc/78/62/35/398786235.db2.gz	PMNBGSWVMGGXHU-LJQANCHMSA-N	0	3	322.408	2.795	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CNC2(CO)CCOCC2)cc1	ZINC000298270429	283213660	/nfs/dbraw/zinc/21/36/60/283213660.db2.gz	WKTFXORYKLILSE-UHFFFAOYSA-N	0	3	322.408	2.856	20	30		DFEDHN
C[C@@H](Cc1ccccn1)NC(=O)C(C#N)CCc1ccccc1	ZINC000594402914	398793111	/nfs/dbraw/zinc/79/31/11/398793111.db2.gz	UZSAWUAXAMCFBO-DOTOQJQBSA-N	0	3	307.397	2.901	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N(C)C)cc1	ZINC000049407503	398795127	/nfs/dbraw/zinc/79/51/27/398795127.db2.gz	JKWSSRUCENJHSL-SFHVURJKSA-N	0	3	307.397	2.899	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@H]1C[C@H](O)c1ccccc1	ZINC000177995703	198800899	/nfs/dbraw/zinc/80/08/99/198800899.db2.gz	QQAONZIEELYACF-ROUUACIJSA-N	0	3	316.445	2.657	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCCC[C@H]3C2)C1=O	ZINC000246462188	283226928	/nfs/dbraw/zinc/22/69/28/283226928.db2.gz	NNXGJPISPPCEQZ-KKUMJFAQSA-N	0	3	315.442	2.847	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1	ZINC000594426122	398797906	/nfs/dbraw/zinc/79/79/06/398797906.db2.gz	CWFOMLCJHRVSMM-INIZCTEOSA-N	0	3	303.381	2.728	20	30		DFEDHN
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594425913	398797958	/nfs/dbraw/zinc/79/79/58/398797958.db2.gz	BHZRGZHNCQGYGN-NHYWBVRUSA-N	0	3	309.360	2.895	20	30		DFEDHN
COc1ccc(CC[C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594426771	398797985	/nfs/dbraw/zinc/79/79/85/398797985.db2.gz	GXPSNZIYKSWHLT-RHSMWYFYSA-N	0	3	317.433	2.544	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1	ZINC000594425562	398798009	/nfs/dbraw/zinc/79/80/09/398798009.db2.gz	KYCUNLQTKJMIMQ-AWEZNQCLSA-N	0	3	300.406	2.637	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCC1	ZINC000594425568	398798083	/nfs/dbraw/zinc/79/80/83/398798083.db2.gz	KYCUNLQTKJMIMQ-CQSZACIVSA-N	0	3	300.406	2.637	20	30		DFEDHN
CCCOc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594425972	398798092	/nfs/dbraw/zinc/79/80/92/398798092.db2.gz	BRVNBGHQGAOXEH-MRXNPFEDSA-N	0	3	303.406	2.503	20	30		DFEDHN
COc1ccc2nc(NC(=O)[C@H](N)CCCCC#N)sc2c1	ZINC000594428068	398798852	/nfs/dbraw/zinc/79/88/52/398798852.db2.gz	ZAWHYTXQACLZAS-LLVKDONJSA-N	0	3	318.402	2.655	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000594428342	398798889	/nfs/dbraw/zinc/79/88/89/398798889.db2.gz	YGNNVLUEEXDNMO-LBPRGKRZSA-N	0	3	315.402	2.555	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000594427203	398798915	/nfs/dbraw/zinc/79/89/15/398798915.db2.gz	GUYBLFRUKAIUKY-ZDUSSCGKSA-N	0	3	313.323	2.733	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc2c(s1)CCCCC2	ZINC000594427033	398799008	/nfs/dbraw/zinc/79/90/08/398799008.db2.gz	FYVNNPIFWWASCY-NSHDSACASA-N	0	3	306.435	2.762	20	30		DFEDHN
CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H](C)C#N	ZINC000598356652	398799153	/nfs/dbraw/zinc/79/91/53/398799153.db2.gz	UBVYWNGMNYYREJ-GOEBONIOSA-N	0	3	317.408	2.798	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21	ZINC000594429497	398799344	/nfs/dbraw/zinc/79/93/44/398799344.db2.gz	QOENAYSCOTWDGW-UONOGXRCSA-N	0	3	321.421	2.890	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1csc2ccccc12	ZINC000594429675	398799391	/nfs/dbraw/zinc/79/93/91/398799391.db2.gz	VMDHDUYGQINXRX-AWEZNQCLSA-N	0	3	301.415	2.929	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000594430347	398799541	/nfs/dbraw/zinc/79/95/41/398799541.db2.gz	ZUNGUAZFEIFBLT-UTUOFQBUSA-N	0	3	305.344	2.635	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21	ZINC000594431723	398800187	/nfs/dbraw/zinc/80/01/87/398800187.db2.gz	QEXZTADRGLWRMK-ZIAGYGMSSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)CC(F)F	ZINC000594433603	398800504	/nfs/dbraw/zinc/80/05/04/398800504.db2.gz	PONQETXBXRMDRD-CQSZACIVSA-N	0	3	309.360	2.692	20	30		DFEDHN
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594433993	398801507	/nfs/dbraw/zinc/80/15/07/398801507.db2.gz	WCFGWAKBPPQERA-BPQIPLTHSA-N	0	3	313.445	2.877	20	30		DFEDHN
Cc1nn(-c2ccccc2)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594437740	398802266	/nfs/dbraw/zinc/80/22/66/398802266.db2.gz	OWJDWQCXGXOWAC-OAHLLOKOSA-N	0	3	311.389	2.531	20	30		DFEDHN
CC1(c2ccccc2)CCN(C(=O)[C@H](N)CCCCC#N)CC1	ZINC000594437981	398802138	/nfs/dbraw/zinc/80/21/38/398802138.db2.gz	YGMMXDHNKOTHQU-QGZVFWFLSA-N	0	3	313.445	2.978	20	30		DFEDHN
CN(CCc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCCC#N	ZINC000594436576	398802299	/nfs/dbraw/zinc/80/22/99/398802299.db2.gz	KMGXXGPVZZGQAX-HNNXBMFYSA-N	0	3	307.825	2.752	20	30		DFEDHN
CC1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCCC#N)CC1	ZINC000594437975	398802656	/nfs/dbraw/zinc/80/26/56/398802656.db2.gz	YGMMXDHNKOTHQU-KRWDZBQOSA-N	0	3	313.445	2.978	20	30		DFEDHN
Cc1csc([C@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)n1	ZINC000594439790	398802889	/nfs/dbraw/zinc/80/28/89/398802889.db2.gz	ZUCYYXAWPKUPPU-ZIAGYGMSSA-N	0	3	320.462	2.916	20	30		DFEDHN
Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N	ZINC000594440339	398803214	/nfs/dbraw/zinc/80/32/14/398803214.db2.gz	XRQKZNQMTBXZMC-ZWKOTPCHSA-N	0	3	313.445	2.940	20	30		DFEDHN
Cc1ccnc(-c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)n1	ZINC000594442135	398803262	/nfs/dbraw/zinc/80/32/62/398803262.db2.gz	BJOZDRVYJOWZNA-INIZCTEOSA-N	0	3	323.400	2.802	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000594443519	398804248	/nfs/dbraw/zinc/80/42/48/398804248.db2.gz	QHBNGCBBMHXWKZ-BZSNNMDCSA-N	0	3	313.445	2.925	20	30		DFEDHN
COC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594444965	398803761	/nfs/dbraw/zinc/80/37/61/398803761.db2.gz	GWAGUNRTNDWSEX-HUUCEWRRSA-N	0	3	323.824	2.555	20	30		DFEDHN
C[C@]1(c2ccccc2)CCCN(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594447921	398805293	/nfs/dbraw/zinc/80/52/93/398805293.db2.gz	XOXVBVBJUNRPMA-MJGOQNOKSA-N	0	3	313.445	2.978	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C	ZINC000594445294	398804827	/nfs/dbraw/zinc/80/48/27/398804827.db2.gz	CSBLYUNXSOXCIU-HRCADAONSA-N	0	3	323.481	2.840	20	30		DFEDHN
CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)Cc1ccsc1	ZINC000594456818	398806399	/nfs/dbraw/zinc/80/63/99/398806399.db2.gz	RZHWWPWSCYZHEV-UKRRQHHQSA-N	0	3	307.463	2.939	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@](C)(CO)C1CCCCC1	ZINC000151342246	283281858	/nfs/dbraw/zinc/28/18/58/283281858.db2.gz	KYTCEIXYEUEJLZ-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000598413412	398808827	/nfs/dbraw/zinc/80/88/27/398808827.db2.gz	RIRLHXCXZBPLQX-SFHVURJKSA-N	0	3	311.385	2.870	20	30		DFEDHN
C[C@@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F	ZINC000594509563	398812498	/nfs/dbraw/zinc/81/24/98/398812498.db2.gz	JSUDFRQFSFZYTC-BYNSBNAKSA-N	0	3	319.424	2.846	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000151968279	283304526	/nfs/dbraw/zinc/30/45/26/283304526.db2.gz	XTUCIJDFXLOQHJ-CQSZACIVSA-N	0	3	322.412	2.842	20	30		DFEDHN
C=CCN(CCC(=O)N1CCC[C@@H]1C)Cc1cccc(C#N)c1	ZINC000075674292	398816588	/nfs/dbraw/zinc/81/65/88/398816588.db2.gz	LKINUIAVKJANQY-INIZCTEOSA-N	0	3	311.429	2.947	20	30		DFEDHN
N#Cc1cnc2ccccc2c1N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594603297	398829886	/nfs/dbraw/zinc/82/98/86/398829886.db2.gz	SYZRTHJMNXNSBV-QZTJIDSGSA-N	0	3	306.413	2.957	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2ccc(C#N)c(OC)c2)CC1	ZINC000594613764	398833036	/nfs/dbraw/zinc/83/30/36/398833036.db2.gz	UAHLIUIQAAVWRG-UHFFFAOYSA-N	0	3	301.434	2.873	20	30		DFEDHN
CN(CCCCc1ccccc1)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000052037418	398831037	/nfs/dbraw/zinc/83/10/37/398831037.db2.gz	HQCAJETVTBPASH-IBGZPJMESA-N	0	3	313.445	2.750	20	30		DFEDHN
COCCN(C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1	ZINC000598586653	398836000	/nfs/dbraw/zinc/83/60/00/398836000.db2.gz	KIEDRQNEAQCXOG-NVXWUHKLSA-N	0	3	304.434	2.997	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N	ZINC000598590073	398836410	/nfs/dbraw/zinc/83/64/10/398836410.db2.gz	QCINKOYMWQDVJI-AWEZNQCLSA-N	0	3	310.825	2.951	20	30		DFEDHN
CCn1cncc1[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598589780	398836475	/nfs/dbraw/zinc/83/64/75/398836475.db2.gz	JKYXZKCMNISIPV-HUUCEWRRSA-N	0	3	304.438	2.731	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(CCc1ccccc1)[C@@H]1CCOC1	ZINC000598592930	398837637	/nfs/dbraw/zinc/83/76/37/398837637.db2.gz	NUAAGJVBYGCGGU-QZTJIDSGSA-N	0	3	316.445	2.621	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(CCc1ccccc1)[C@H]1CCOC1	ZINC000598592932	398837943	/nfs/dbraw/zinc/83/79/43/398837943.db2.gz	NUAAGJVBYGCGGU-ZWKOTPCHSA-N	0	3	316.445	2.621	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccc1C#N	ZINC000594616458	398834768	/nfs/dbraw/zinc/83/47/68/398834768.db2.gz	CFKCRNGMXQOUTG-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1	ZINC000598601347	398839278	/nfs/dbraw/zinc/83/92/78/398839278.db2.gz	JKAJMWFCZWZKIG-GJZGRUSLSA-N	0	3	305.378	2.936	20	30		DFEDHN
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C[C@H](O)CC(C)(C)C#N)C1	ZINC000598623559	398842885	/nfs/dbraw/zinc/84/28/85/398842885.db2.gz	XYUXEEFEJGEAOI-RBSFLKMASA-N	0	3	324.465	2.587	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c(C)c1OC	ZINC000598615404	398841341	/nfs/dbraw/zinc/84/13/41/398841341.db2.gz	AJCAEPWQGZXTFW-KBPBESRZSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1Cc2ccccc2OC(C)(C)C1	ZINC000598616616	398841959	/nfs/dbraw/zinc/84/19/59/398841959.db2.gz	NMMOLLKCYJIYCY-OAHLLOKOSA-N	0	3	302.418	2.960	20	30		DFEDHN
CCOc1ccc([C@@H](COC)NC[C@H](O)CC(C)(C)C#N)cc1	ZINC000598616549	398842257	/nfs/dbraw/zinc/84/22/57/398842257.db2.gz	WPQZUOVNKBAENX-NVXWUHKLSA-N	0	3	320.433	2.663	20	30		DFEDHN
CN(C)C(=O)[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000594710804	398846455	/nfs/dbraw/zinc/84/64/55/398846455.db2.gz	MHHYNLKJBQLTOW-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
COc1cccc([C@]2(C)CCN(C[C@@H](O)CC(C)(C)C#N)C2)c1	ZINC000598628672	398843455	/nfs/dbraw/zinc/84/34/55/398843455.db2.gz	XYENXKVWLNFCTM-QFBILLFUSA-N	0	3	316.445	2.959	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCCc1ccccc1	ZINC000052802610	398850883	/nfs/dbraw/zinc/85/08/83/398850883.db2.gz	MKTQEBVTQWLZDE-APWZRJJASA-N	0	3	315.461	2.994	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCCc1ccccc1	ZINC000052802611	398851513	/nfs/dbraw/zinc/85/15/13/398851513.db2.gz	MKTQEBVTQWLZDE-QFBILLFUSA-N	0	3	315.461	2.994	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2ccc(F)cc21	ZINC000598699914	398857911	/nfs/dbraw/zinc/85/79/11/398857911.db2.gz	JICYWVJHKCCZJN-UKRRQHHQSA-N	0	3	306.381	2.930	20	30		DFEDHN
COc1ccccc1[C@H]1CNCCN1Cc1ccccc1C#N	ZINC000598680512	398854422	/nfs/dbraw/zinc/85/44/22/398854422.db2.gz	YVFWDTGBENHDHW-GOSISDBHSA-N	0	3	307.397	2.713	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@@H](C)NC[C@@H](O)CC(C)(C)C#N	ZINC000598723508	398862148	/nfs/dbraw/zinc/86/21/48/398862148.db2.gz	IVVOWLRERKNNST-WWGRRREGSA-N	0	3	308.397	2.792	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC(F)F)c(F)c1	ZINC000598727202	398862659	/nfs/dbraw/zinc/86/26/59/398862659.db2.gz	DRXIJHARCKVJRH-LLVKDONJSA-N	0	3	316.323	2.817	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000053142999	398863554	/nfs/dbraw/zinc/86/35/54/398863554.db2.gz	FDRMYENFDFWTMI-GOSISDBHSA-N	0	3	312.417	2.629	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cccc(OCC(F)F)c1	ZINC000598718382	398860430	/nfs/dbraw/zinc/86/04/30/398860430.db2.gz	AQITWSVQTBEICY-CYBMUJFWSA-N	0	3	312.360	2.721	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598721716	398861508	/nfs/dbraw/zinc/86/15/08/398861508.db2.gz	YNOCDROPSSOOGC-HOCLYGCPSA-N	0	3	302.418	2.963	20	30		DFEDHN
CN(CCCc1[nH]nc(N)c1C#N)Cc1ccccc1Cl	ZINC000153246091	283359007	/nfs/dbraw/zinc/35/90/07/283359007.db2.gz	VPVASRAVUSENFY-UHFFFAOYSA-N	0	3	303.797	2.582	20	30		DFEDHN
COC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCO1	ZINC000594939169	398876789	/nfs/dbraw/zinc/87/67/89/398876789.db2.gz	QJDWTGJNFHFIEZ-SJORKVTESA-N	0	3	300.402	2.525	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(C)c1	ZINC000594949732	398879434	/nfs/dbraw/zinc/87/94/34/398879434.db2.gz	GGHDKRYEMUKIJU-MSOLQXFVSA-N	0	3	310.401	2.528	20	30		DFEDHN
Cc1nn2c(nc(C)c2CNCCc2ccc(C#N)cc2)s1	ZINC000594955001	398880835	/nfs/dbraw/zinc/88/08/35/398880835.db2.gz	JVAABQHTBOEUQU-UHFFFAOYSA-N	0	3	311.414	2.612	20	30		DFEDHN
COC(=O)c1cc(CNC(C)(C)c2cccc(C#N)c2)cn1C	ZINC000594969388	398883700	/nfs/dbraw/zinc/88/37/00/398883700.db2.gz	QDSOIVHKKDHADD-UHFFFAOYSA-N	0	3	311.385	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ncc(CCC)s2)CC1	ZINC000180844086	199217072	/nfs/dbraw/zinc/21/70/72/199217072.db2.gz	DRCBIVCQWWJOIF-UHFFFAOYSA-N	0	3	308.451	2.868	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(C(F)(F)F)c1	ZINC000594988273	398887117	/nfs/dbraw/zinc/88/71/17/398887117.db2.gz	OPCGXBNQSOBBLA-KGLIPLIRSA-N	0	3	310.319	2.970	20	30		DFEDHN
CC1(C)CCC(O)(CNCc2cnc3ccc(C#N)cn23)CC1	ZINC000594991133	398887679	/nfs/dbraw/zinc/88/76/79/398887679.db2.gz	DYDSALLHANTFGZ-UHFFFAOYSA-N	0	3	312.417	2.627	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1	ZINC000594989549	398887866	/nfs/dbraw/zinc/88/78/66/398887866.db2.gz	USUCXFTVPPNFLL-IAGOWNOFSA-N	0	3	300.402	2.762	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CNC2CC(CO)C2)c1	ZINC000595000613	398889411	/nfs/dbraw/zinc/88/94/11/398889411.db2.gz	IFKJTHFKEIKENT-UHFFFAOYSA-N	0	3	322.408	2.998	20	30		DFEDHN
C#CCSCCN[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000181100965	199252847	/nfs/dbraw/zinc/25/28/47/199252847.db2.gz	WMEAPZULRPOANH-CYBMUJFWSA-N	0	3	304.415	2.660	20	30		DFEDHN
Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000598947777	398895625	/nfs/dbraw/zinc/89/56/25/398895625.db2.gz	MORMDHHNYSITNV-RDJZCZTQSA-N	0	3	322.412	2.686	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000142859749	398900111	/nfs/dbraw/zinc/90/01/11/398900111.db2.gz	ZFMGFTDVDHSWDQ-KRWDZBQOSA-N	0	3	304.434	2.561	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000142921160	398900317	/nfs/dbraw/zinc/90/03/17/398900317.db2.gz	FJKJDALELYLLCE-QGZVFWFLSA-N	0	3	302.418	2.532	20	30		DFEDHN
N#Cc1cccc(OCCN2CCSC3(CCOCC3)C2)c1	ZINC000186834939	200018633	/nfs/dbraw/zinc/01/86/33/200018633.db2.gz	ZLLAOYKOZQVHIT-UHFFFAOYSA-N	0	3	318.442	2.535	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000598982031	398903055	/nfs/dbraw/zinc/90/30/55/398903055.db2.gz	VMYLMDYRPOKDMP-MRXNPFEDSA-N	0	3	301.434	2.605	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1	ZINC000186843730	200021055	/nfs/dbraw/zinc/02/10/55/200021055.db2.gz	CRTMDODFRMMFGA-QGZVFWFLSA-N	0	3	302.418	2.964	20	30		DFEDHN
CS(=O)(=O)CC1CCC(NCC2(C#N)CCCCC2)CC1	ZINC000595092172	398903915	/nfs/dbraw/zinc/90/39/15/398903915.db2.gz	YIAANFAEMCWOTF-UHFFFAOYSA-N	0	3	312.479	2.653	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000077458195	398904283	/nfs/dbraw/zinc/90/42/83/398904283.db2.gz	RUFQNEJUXIPHOS-JKSUJKDBSA-N	0	3	323.458	2.697	20	30		DFEDHN
N#Cc1cc(Cl)ccc1CN1CCN(C2CCOCC2)CC1	ZINC000187110961	200063051	/nfs/dbraw/zinc/06/30/51/200063051.db2.gz	CMTUBCMOMBISQE-UHFFFAOYSA-N	0	3	319.836	2.508	20	30		DFEDHN
C=CCCSCCNC(=O)Nc1cccc2c1CCNC2	ZINC000595232440	398911536	/nfs/dbraw/zinc/91/15/36/398911536.db2.gz	CEXPFOZXHYSZAW-UHFFFAOYSA-N	0	3	305.447	2.763	20	30		DFEDHN
CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCCC#N	ZINC000595252004	398912995	/nfs/dbraw/zinc/91/29/95/398912995.db2.gz	ZCNLMZHHLIVURP-JKSUJKDBSA-N	0	3	305.397	2.674	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)C1	ZINC000599071831	398917388	/nfs/dbraw/zinc/91/73/88/398917388.db2.gz	UKVGZGGDTNGXMS-UKPHBRMFSA-N	0	3	319.836	2.827	20	30		DFEDHN
CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CCOC1	ZINC000595296477	398918057	/nfs/dbraw/zinc/91/80/57/398918057.db2.gz	DRTQTTRMSQHMGL-WMZOPIPTSA-N	0	3	300.402	2.574	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000595311489	398921213	/nfs/dbraw/zinc/92/12/13/398921213.db2.gz	CMJOYIFZVLVKEB-HXUWFJFHSA-N	0	3	324.424	2.610	20	30		DFEDHN
CCCSCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000055388338	398929056	/nfs/dbraw/zinc/92/90/56/398929056.db2.gz	CSQWCPBOBYXCIX-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1	ZINC000599165249	398932657	/nfs/dbraw/zinc/93/26/57/398932657.db2.gz	OZWJRGHLGLFVCJ-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
CC(C)(NCCc1ccc(C#N)cc1)C(=O)NCC1CCCC1	ZINC000595405687	398932659	/nfs/dbraw/zinc/93/26/59/398932659.db2.gz	BQCITIUDTCKDMZ-UHFFFAOYSA-N	0	3	313.445	2.775	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1CCOC1	ZINC000276885014	213155255	/nfs/dbraw/zinc/15/52/55/213155255.db2.gz	JJTVCUQNGLMHDM-PWSUYJOCSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1	ZINC000595460971	398942849	/nfs/dbraw/zinc/94/28/49/398942849.db2.gz	IYZKGMRXSTVNGL-XJKSGUPXSA-N	0	3	314.433	2.791	20	30		DFEDHN
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccc(C#N)cc1	ZINC000595460969	398943085	/nfs/dbraw/zinc/94/30/85/398943085.db2.gz	IYZKGMRXSTVNGL-CJNGLKHVSA-N	0	3	314.433	2.791	20	30		DFEDHN
C=CCN(Cc1cccs1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599251744	398943378	/nfs/dbraw/zinc/94/33/78/398943378.db2.gz	KVLZMHCNSBPEAB-HNNXBMFYSA-N	0	3	320.458	2.807	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C[C@H](O)CC1(C#N)CC1	ZINC000599262004	398944286	/nfs/dbraw/zinc/94/42/86/398944286.db2.gz	ZYUFAVNKXRPYNI-CQSZACIVSA-N	0	3	308.809	2.705	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC1(C#N)CC1	ZINC000599268766	398945524	/nfs/dbraw/zinc/94/55/24/398945524.db2.gz	KYQJOBXNBXJETL-INIZCTEOSA-N	0	3	300.402	2.738	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)COc2ccccc2C#N)s1	ZINC000599280108	398947520	/nfs/dbraw/zinc/94/75/20/398947520.db2.gz	CCULQKBSLBSRHC-HNNXBMFYSA-N	0	3	316.426	2.800	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@@H](n3cc(Cl)cn3)C2)cc1	ZINC000595489782	398949206	/nfs/dbraw/zinc/94/92/06/398949206.db2.gz	IKXJKYFBMLSRHB-MRXNPFEDSA-N	0	3	300.793	2.898	20	30		DFEDHN
Cn1cc([C@@H](NCCCCC(C)(C)C#N)C2(CO)CCC2)cn1	ZINC000595492275	398949558	/nfs/dbraw/zinc/94/95/58/398949558.db2.gz	FWBNKTYMMQYNBU-MRXNPFEDSA-N	0	3	318.465	2.933	20	30		DFEDHN
C=CCCSCCNC(=O)NC1CCN(CC(=C)C)CC1	ZINC000595493477	398949622	/nfs/dbraw/zinc/94/96/22/398949622.db2.gz	LAGYHLUYOHCTRX-UHFFFAOYSA-N	0	3	311.495	2.635	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1	ZINC000595504729	398952180	/nfs/dbraw/zinc/95/21/80/398952180.db2.gz	HZVXIBIEJAJDIQ-LSDHHAIUSA-N	0	3	313.511	2.715	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCN(c3ccncc3)CC2)c1	ZINC000156716088	398951083	/nfs/dbraw/zinc/95/10/83/398951083.db2.gz	JHNUWRYHNRQZIH-UHFFFAOYSA-N	0	3	322.412	2.544	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1	ZINC000272007554	209378903	/nfs/dbraw/zinc/37/89/03/209378903.db2.gz	PKXSADFOHWICRV-KDOFPFPSSA-N	0	3	322.412	2.527	20	30		DFEDHN
N#CCC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000595510420	398953829	/nfs/dbraw/zinc/95/38/29/398953829.db2.gz	AXHPVJSFEBXPJL-SJLPKXTDSA-N	0	3	311.429	2.628	20	30		DFEDHN
Cc1csc(C2(NC[C@H](O)CC3(C#N)CC3)CCCC2)n1	ZINC000599331619	398955343	/nfs/dbraw/zinc/95/53/43/398955343.db2.gz	UXSLRBMRUYULKR-CYBMUJFWSA-N	0	3	305.447	2.865	20	30		DFEDHN
CC(C)[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000271923969	209327729	/nfs/dbraw/zinc/32/77/29/209327729.db2.gz	IQSUABJFDBQFKK-KSSFIOAISA-N	0	3	319.424	2.705	20	30		DFEDHN
CC(C)(NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1	ZINC000599356970	398961909	/nfs/dbraw/zinc/96/19/09/398961909.db2.gz	PNSHSURNCWVKKE-MRXNPFEDSA-N	0	3	320.408	2.722	20	30		DFEDHN
N#CCCOCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000595550542	398966932	/nfs/dbraw/zinc/96/69/32/398966932.db2.gz	BVOYLRKVMYQKNS-UHFFFAOYSA-N	0	3	312.417	2.748	20	30		DFEDHN
CCO[C@H]1C[C@@](CO)(NCc2ccc(C)c(C#N)c2)C1(C)C	ZINC000599380796	398968484	/nfs/dbraw/zinc/96/84/84/398968484.db2.gz	YRWVFWCWBXLJPT-WMZOPIPTSA-N	0	3	302.418	2.522	20	30		DFEDHN
CC(C)(C)n1nnc(CCNC2(c3ccc(C#N)cc3)CCC2)n1	ZINC000595564360	398974516	/nfs/dbraw/zinc/97/45/16/398974516.db2.gz	ZJGJUXLXUGGDGR-UHFFFAOYSA-N	0	3	324.432	2.511	20	30		DFEDHN
COCCN1CCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N	ZINC000613420588	398977408	/nfs/dbraw/zinc/97/74/08/398977408.db2.gz	ZTIHLYCISILXJK-HNNXBMFYSA-N	0	3	316.449	2.773	20	30		DFEDHN
Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000193910887	201143667	/nfs/dbraw/zinc/14/36/67/201143667.db2.gz	JWZNRCMKMRLNEV-HNNXBMFYSA-N	0	3	307.397	2.947	20	30		DFEDHN
CS[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1N(C)C	ZINC000613430541	398981902	/nfs/dbraw/zinc/98/19/02/398981902.db2.gz	ASVXDSBEWUPMAI-KBPBESRZSA-N	0	3	318.490	2.733	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C(F)(F)F)nc2)nc(C)n1	ZINC000078736813	398985168	/nfs/dbraw/zinc/98/51/68/398985168.db2.gz	AURGTOYWSRAGFY-NSHDSACASA-N	0	3	320.274	2.997	20	30		DFEDHN
CN(C)CCOc1ccc(CNc2cc(CC#N)ccn2)cc1	ZINC000613443233	398988224	/nfs/dbraw/zinc/98/82/24/398988224.db2.gz	HGPUMMIABQOUPF-UHFFFAOYSA-N	0	3	310.401	2.700	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@H](CO)Cc1ccccc1	ZINC000595591442	398988611	/nfs/dbraw/zinc/98/86/11/398988611.db2.gz	HPZWNHVLIYLPLW-SFHVURJKSA-N	0	3	310.397	2.602	20	30		DFEDHN
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1C#N	ZINC000595595782	398990690	/nfs/dbraw/zinc/99/06/90/398990690.db2.gz	MZPYRBYUXLWTIL-GOSISDBHSA-N	0	3	310.397	2.602	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000595604511	398994529	/nfs/dbraw/zinc/99/45/29/398994529.db2.gz	SBSWOTNIFMIWHY-DOMZBBRYSA-N	0	3	317.389	2.918	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)NCC1CCC(C#N)CC1	ZINC000595607073	398996147	/nfs/dbraw/zinc/99/61/47/398996147.db2.gz	PULHLBRQHZSSQL-KLAILNCOSA-N	0	3	320.481	2.736	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000595609137	398996851	/nfs/dbraw/zinc/99/68/51/398996851.db2.gz	GQCXOXYSTFJCRG-IRXDYDNUSA-N	0	3	302.418	2.669	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1(C)COC1	ZINC000600192917	398997982	/nfs/dbraw/zinc/99/79/82/398997982.db2.gz	ZYCAFGWHDGBWDO-UHFFFAOYSA-N	0	3	324.428	2.932	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(Oc2cccc(F)c2)CC1	ZINC000599507669	398998908	/nfs/dbraw/zinc/99/89/08/398998908.db2.gz	OXRMVAJLQWBKIT-HNNXBMFYSA-N	0	3	320.408	2.970	20	30		DFEDHN
C=CC[C@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000599530505	399003744	/nfs/dbraw/zinc/00/37/44/399003744.db2.gz	YVSYVDSRZUWXFN-WMZOPIPTSA-N	0	3	309.413	2.952	20	30		DFEDHN
Cc1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)cc1C#N	ZINC000599544379	399007922	/nfs/dbraw/zinc/00/79/22/399007922.db2.gz	FMJJJKHILRDVHX-SFHVURJKSA-N	0	3	314.429	2.620	20	30		DFEDHN
C=CCn1c(-c2ccccc2)nnc1N1CCN(CC2CC2)CC1	ZINC000282247697	334993318	/nfs/dbraw/zinc/99/33/18/334993318.db2.gz	KOHGCNPCRDQYIH-UHFFFAOYSA-N	0	3	323.444	2.663	20	30		DFEDHN
C[C@H]1C[C@@H](CN2CCN(c3ccsc3C#N)CC2)CCO1	ZINC000595629829	399010918	/nfs/dbraw/zinc/01/09/18/399010918.db2.gz	MUEKGTBCIPYISO-KBPBESRZSA-N	0	3	305.447	2.557	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000271798411	209225760	/nfs/dbraw/zinc/22/57/60/209225760.db2.gz	LXJYFUNPIHRXFF-CZUORRHYSA-N	0	3	304.390	2.621	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C	ZINC000599579855	399019365	/nfs/dbraw/zinc/01/93/65/399019365.db2.gz	DHAPKBPXFUBNNO-ILXRZTDVSA-N	0	3	324.465	2.587	20	30		DFEDHN
C[C@@H]1CN(CCCSCC#N)CC[C@@H]1C(=O)OC(C)(C)C	ZINC000599588495	399022133	/nfs/dbraw/zinc/02/21/33/399022133.db2.gz	PJYCLMBDGWXWFI-KGLIPLIRSA-N	0	3	312.479	2.933	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595659403	399023772	/nfs/dbraw/zinc/02/37/72/399023772.db2.gz	LSKFBSJPUHQJIR-MRXNPFEDSA-N	0	3	303.450	2.959	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000275369989	212294340	/nfs/dbraw/zinc/29/43/40/212294340.db2.gz	XABKTSHCWMZVNO-FRFSOERESA-N	0	3	315.417	2.536	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000595660930	399024989	/nfs/dbraw/zinc/02/49/89/399024989.db2.gz	GQPNMUHCDCTTTA-MRXNPFEDSA-N	0	3	314.433	2.572	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000079310839	399033429	/nfs/dbraw/zinc/03/34/29/399033429.db2.gz	DTIVDXBILTUEKN-DOTOQJQBSA-N	0	3	314.433	2.625	20	30		DFEDHN
CCOCCN(CCOCCC#N)[C@@H]1CCc2ccccc21	ZINC000599625081	399033475	/nfs/dbraw/zinc/03/34/75/399033475.db2.gz	FXUJMJIZTPSASX-GOSISDBHSA-N	0	3	302.418	2.943	20	30		DFEDHN
N#Cc1ccc(C2(NCCO[C@H]3CC3(F)F)CCOCC2)cc1	ZINC000599629004	399033994	/nfs/dbraw/zinc/03/39/94/399033994.db2.gz	DRMKPVLAJUQSOQ-HNNXBMFYSA-N	0	3	322.355	2.578	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC/C=C\CN[C@@H]1CCCC[C@@H]1C#N	ZINC000595687114	399035559	/nfs/dbraw/zinc/03/55/59/399035559.db2.gz	AFAQJJZBXFWCCF-HMBYZQHASA-N	0	3	300.450	2.887	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000092070420	193151415	/nfs/dbraw/zinc/15/14/15/193151415.db2.gz	YJCNHVOTRRCDGD-GOSISDBHSA-N	0	3	324.428	2.592	20	30		DFEDHN
C[C@H](C#N)N(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000595708923	399049148	/nfs/dbraw/zinc/04/91/48/399049148.db2.gz	ALTVLNDBCCIKOL-VQIMIIECSA-N	0	3	313.445	2.654	20	30		DFEDHN
CC(C)N1CCCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000079541033	399054598	/nfs/dbraw/zinc/05/45/98/399054598.db2.gz	GDVUXYRCYKXWAV-UHFFFAOYSA-N	0	3	317.458	2.859	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000595739858	399064659	/nfs/dbraw/zinc/06/46/59/399064659.db2.gz	RDLQSZWYMIQQQA-DOTOQJQBSA-N	0	3	305.466	2.897	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1	ZINC000275167725	212165439	/nfs/dbraw/zinc/16/54/39/212165439.db2.gz	WBOZPXIKCKUZBC-CVEARBPZSA-N	0	3	308.491	2.793	20	30		DFEDHN
C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)CC1	ZINC000595820694	399098352	/nfs/dbraw/zinc/09/83/52/399098352.db2.gz	UYYGCYOOKIQKSX-WIRQWFGLSA-N	0	3	303.381	2.591	20	30		DFEDHN
CC(C)CC1(NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000595832980	399103455	/nfs/dbraw/zinc/10/34/55/399103455.db2.gz	YUMUYBSSOAZIML-UHFFFAOYSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(OC(F)F)c1	ZINC000595829013	399102698	/nfs/dbraw/zinc/10/26/98/399102698.db2.gz	GHJGSKHNUVQXOS-KGLIPLIRSA-N	0	3	308.328	2.628	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000424980284	335013460	/nfs/dbraw/zinc/01/34/60/335013460.db2.gz	UVESXQDIJNVAFY-QWHCGFSZSA-N	0	3	311.385	2.916	20	30		DFEDHN
C=CC[C@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1	ZINC000275108184	212123942	/nfs/dbraw/zinc/12/39/42/212123942.db2.gz	FLJZXXCYZHCCPU-FUHWJXTLSA-N	0	3	318.486	2.900	20	30		DFEDHN
N#Cc1cnc(N[C@@H](CN2CCCCC2)c2ccccc2)cn1	ZINC000613881309	399107315	/nfs/dbraw/zinc/10/73/15/399107315.db2.gz	VXNNNRQWNVZREG-KRWDZBQOSA-N	0	3	307.401	2.987	20	30		DFEDHN
C[C@]1(C#N)CCN(CC2(CN3CC[C@](C)(C#N)C3)CCC2)C1	ZINC000595841902	399109009	/nfs/dbraw/zinc/10/90/09/399109009.db2.gz	PHUMNPVBBIIVKO-IAGOWNOFSA-N	0	3	300.450	2.628	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2csc(Br)c2)CC1	ZINC000600716520	399121613	/nfs/dbraw/zinc/12/16/13/399121613.db2.gz	GPKQKZFGAPCRCS-SNVBAGLBSA-N	0	3	315.236	2.655	20	30		DFEDHN
CCCOc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1OC	ZINC000600715769	399121638	/nfs/dbraw/zinc/12/16/38/399121638.db2.gz	COSFZJDRIAPHFB-HNNXBMFYSA-N	0	3	318.417	2.628	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600715088	399121678	/nfs/dbraw/zinc/12/16/78/399121678.db2.gz	RFWPMTBAZUKOLB-KRWDZBQOSA-N	0	3	324.428	2.634	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(OC3CCCC3)nc2)CC1	ZINC000600718374	399123164	/nfs/dbraw/zinc/12/31/64/399123164.db2.gz	WYNZURMURKVRGJ-OAHLLOKOSA-N	0	3	315.417	2.547	20	30		DFEDHN
C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)o1	ZINC000600717582	399123192	/nfs/dbraw/zinc/12/31/92/399123192.db2.gz	RAPPBTCHZXUUQE-YCPHGPKFSA-N	0	3	318.417	2.564	20	30		DFEDHN
Cc1ccc(OC(F)F)c(CNC[C@H](O)CC2(C#N)CC2)c1	ZINC000600729058	399127605	/nfs/dbraw/zinc/12/76/05/399127605.db2.gz	CXKWANOWVQMLNH-CYBMUJFWSA-N	0	3	310.344	2.741	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCCOc3c(F)cccc32)CC1	ZINC000600730474	399127682	/nfs/dbraw/zinc/12/76/82/399127682.db2.gz	HXUIJLBCDWPDQE-DOMZBBRYSA-N	0	3	304.365	2.684	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1OC	ZINC000093813793	193312277	/nfs/dbraw/zinc/31/22/77/193312277.db2.gz	VEHKZZIBHIZQSL-SFHVURJKSA-N	0	3	319.401	2.645	20	30		DFEDHN
CO[C@H](CNC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000600730915	399127985	/nfs/dbraw/zinc/12/79/85/399127985.db2.gz	SVZONDGKXLRDHJ-HUUCEWRRSA-N	0	3	308.809	2.672	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@@H](C)C(=O)NC)cc1Cl	ZINC000093898695	193325668	/nfs/dbraw/zinc/32/56/68/193325668.db2.gz	WZJGTUXBMDSVHW-GFCCVEGCSA-N	0	3	310.825	2.719	20	30		DFEDHN
CO[C@@H](CNC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000600730911	399128192	/nfs/dbraw/zinc/12/81/92/399128192.db2.gz	SVZONDGKXLRDHJ-GJZGRUSLSA-N	0	3	308.809	2.672	20	30		DFEDHN
CSCc1cc(F)ccc1CNC[C@H](O)CC1(C#N)CC1	ZINC000600732188	399129163	/nfs/dbraw/zinc/12/91/63/399129163.db2.gz	YDBNBVSMYOPEFU-OAHLLOKOSA-N	0	3	308.422	2.833	20	30		DFEDHN
CCCCCn1cc(CNC[C@@H](O)CC2(C#N)CC2)c(C)n1	ZINC000600732639	399129059	/nfs/dbraw/zinc/12/90/59/399129059.db2.gz	TUZKWYIQYPSZNZ-INIZCTEOSA-N	0	3	304.438	2.526	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)CC1	ZINC000600736941	399130099	/nfs/dbraw/zinc/13/00/99/399130099.db2.gz	BMFRRCLEKRYVOZ-WBMJQRKESA-N	0	3	306.356	2.987	20	30		DFEDHN
CCOc1ccc2c(c1)[C@@H](NC[C@H](O)CC1(C#N)CC1)CCO2	ZINC000600735685	399130232	/nfs/dbraw/zinc/13/02/32/399130232.db2.gz	PCXBUFYLFBZGCC-CJNGLKHVSA-N	0	3	316.401	2.553	20	30		DFEDHN
COc1c2ccccc2oc1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600735444	399130398	/nfs/dbraw/zinc/13/03/98/399130398.db2.gz	UIXAFXGWHWDLNX-LBPRGKRZSA-N	0	3	300.358	2.586	20	30		DFEDHN
C=CCC[C@@H](N[C@H](C)C(=O)NC(=O)NCC)c1ccccc1	ZINC000180041546	399131826	/nfs/dbraw/zinc/13/18/26/399131826.db2.gz	RSTBHWOQTAQFRU-UKRRQHHQSA-N	0	3	303.406	2.518	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNCC3(CO)CC3)c2)c1	ZINC000080246415	399131698	/nfs/dbraw/zinc/13/16/98/399131698.db2.gz	STCCCLHISDDFTH-UHFFFAOYSA-N	0	3	322.408	2.999	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccccc1	ZINC000180044980	399132339	/nfs/dbraw/zinc/13/23/39/399132339.db2.gz	IOZKWBAHMNHAJJ-OAHLLOKOSA-N	0	3	317.433	2.908	20	30		DFEDHN
N#CC1(C[C@@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000600744209	399132798	/nfs/dbraw/zinc/13/27/98/399132798.db2.gz	AWHIEIWXTZKTMC-YPMHNXCESA-N	0	3	320.355	2.521	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cc(F)ccc2OC(F)F)CC1	ZINC000600742550	399132537	/nfs/dbraw/zinc/13/25/37/399132537.db2.gz	DPDAAMRRYCBAFO-GFCCVEGCSA-N	0	3	314.307	2.571	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000600749697	399135062	/nfs/dbraw/zinc/13/50/62/399135062.db2.gz	YJKBHMUEWBOCAH-PELKAZGASA-N	0	3	301.173	2.693	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCc2ccc(Cl)cc21	ZINC000600757851	399136419	/nfs/dbraw/zinc/13/64/19/399136419.db2.gz	AOLVRFIAFWLZOJ-DOTOQJQBSA-N	0	3	321.852	2.513	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C	ZINC000181066847	399138344	/nfs/dbraw/zinc/13/83/44/399138344.db2.gz	SXPJOMNITJXQAR-OAHLLOKOSA-N	0	3	321.396	2.514	20	30		DFEDHN
CC(C)[C@@H]1C[C@H](NC[C@H](O)CN(C)CCC#N)c2ccccc21	ZINC000600761611	399138568	/nfs/dbraw/zinc/13/85/68/399138568.db2.gz	NDZNDZFLEIDBAZ-SNRMKQJTSA-N	0	3	315.461	2.667	20	30		DFEDHN
C[C@@H](C(=O)NCCc1ccc(C#N)cc1)[C@H](N)c1ccccc1	ZINC000595937225	399139615	/nfs/dbraw/zinc/13/96/15/399139615.db2.gz	FMVHNFNAUKTYPO-KDOFPFPSSA-N	0	3	307.397	2.553	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600782022	399144180	/nfs/dbraw/zinc/14/41/80/399144180.db2.gz	HSTIFSOJHHAQSR-HUUCEWRRSA-N	0	3	311.429	2.510	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000182765288	399150663	/nfs/dbraw/zinc/15/06/63/399150663.db2.gz	BFFSZAIGMSNYRW-ZDUSSCGKSA-N	0	3	322.840	2.573	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCC23CC3)cc1	ZINC000600805432	399152167	/nfs/dbraw/zinc/15/21/67/399152167.db2.gz	RTNPSRGULMNQSD-IAGOWNOFSA-N	0	3	307.397	2.937	20	30		DFEDHN
COCC[C@]1(NCc2ccc(C(C)(C)C#N)cc2)CCOC1	ZINC000618551072	399155787	/nfs/dbraw/zinc/15/57/87/399155787.db2.gz	PKKLMORTTNSKRA-SFHVURJKSA-N	0	3	302.418	2.773	20	30		DFEDHN
COC(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614159558	399165647	/nfs/dbraw/zinc/16/56/47/399165647.db2.gz	GRVCKEXVKWDUAV-UHFFFAOYSA-N	0	3	300.402	2.873	20	30		DFEDHN
N#Cc1c(N[C@@H]2CCN(C3CC3)C2)nc2cc(Cl)ccn12	ZINC000596091446	399169791	/nfs/dbraw/zinc/16/97/91/399169791.db2.gz	KFGWRYRFTHXSJJ-LLVKDONJSA-N	0	3	301.781	2.508	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C(C)(C)C)on2)CC1	ZINC000266054363	205061102	/nfs/dbraw/zinc/06/11/02/205061102.db2.gz	BDIAGQGWMUJURX-UHFFFAOYSA-N	0	3	305.422	2.742	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000266318336	205261963	/nfs/dbraw/zinc/26/19/63/205261963.db2.gz	HNRBOFYYGZDSFO-MRXNPFEDSA-N	0	3	304.434	2.606	20	30		DFEDHN
CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCN(CC)C1	ZINC000596165558	399199347	/nfs/dbraw/zinc/19/93/47/399199347.db2.gz	UHZLQFNXEWWDPL-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cnn(CC(C)C)c2)CC1	ZINC000266397816	205317325	/nfs/dbraw/zinc/31/73/25/205317325.db2.gz	OHDAMNREBVXEMX-UHFFFAOYSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)CC1	ZINC000266452551	205356528	/nfs/dbraw/zinc/35/65/28/205356528.db2.gz	BZRKNCGWVFPPRK-SJLPKXTDSA-N	0	3	313.445	2.567	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc3ccsc3c2)CC1	ZINC000607901382	399208155	/nfs/dbraw/zinc/20/81/55/399208155.db2.gz	ADKBCNQHJDLHND-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
CCOC(=O)CCN(Cc1cc(C#N)ccc1F)CC1CC1	ZINC000064343792	399220838	/nfs/dbraw/zinc/22/08/38/399220838.db2.gz	VOIHLISBSKNALB-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000285280557	335022817	/nfs/dbraw/zinc/02/28/17/335022817.db2.gz	ZFEGCPGLGVZLFV-FXAWDEMLSA-N	0	3	320.436	2.916	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(O[C@@H]2CCOC2)CC1	ZINC000614401985	399225918	/nfs/dbraw/zinc/22/59/18/399225918.db2.gz	GOEYKKGQNNOLFZ-GOSISDBHSA-N	0	3	300.402	2.637	20	30		DFEDHN
N#Cc1ccc2ncc(CNCc3cccc4c3CCOC4)n2c1	ZINC000601156404	399243863	/nfs/dbraw/zinc/24/38/63/399243863.db2.gz	WGPMGJHYHQSNHS-UHFFFAOYSA-N	0	3	318.380	2.568	20	30		DFEDHN
C=CCOc1cccc(CNCC2(S(C)(=O)=O)CCCC2)c1	ZINC000285459938	335026058	/nfs/dbraw/zinc/02/60/58/335026058.db2.gz	JPFZKVSVPYHWLG-UHFFFAOYSA-N	0	3	323.458	2.698	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@@H]3CCCn4nccc43)CC2)cc1	ZINC000601173932	399247673	/nfs/dbraw/zinc/24/76/73/399247673.db2.gz	MTWZOEOMZPUFRK-GOSISDBHSA-N	0	3	321.428	2.848	20	30		DFEDHN
C=CCCN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267676545	206213072	/nfs/dbraw/zinc/21/30/72/206213072.db2.gz	FSIMSMQXEVMCOC-CQSZACIVSA-N	0	3	309.479	2.934	20	30		DFEDHN
C=CCC[C@H](NCCCN(CC)S(C)(=O)=O)c1ccco1	ZINC000286263097	335031139	/nfs/dbraw/zinc/03/11/39/335031139.db2.gz	UYMHTHSQZRTJON-AWEZNQCLSA-N	0	3	314.451	2.548	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N1[C@H](C)CC[C@@H]1C	ZINC000618893581	399253848	/nfs/dbraw/zinc/25/38/48/399253848.db2.gz	PFTIWDOIYQZGRT-MOROJQBDSA-N	0	3	311.429	2.923	20	30		DFEDHN
CNC(=O)CC[C@@H]1CCCCN1CC#Cc1ccc(F)cc1	ZINC000286359717	335033330	/nfs/dbraw/zinc/03/33/30/335033330.db2.gz	HJAPWHXPWNYCRA-KRWDZBQOSA-N	0	3	302.393	2.558	20	30		DFEDHN
N#CC1(C(=O)N2CCCN(C3CCCC3)CC2)CC2(CC2)C1	ZINC000601209055	399255174	/nfs/dbraw/zinc/25/51/74/399255174.db2.gz	AOVFNWRHVZUFSH-UHFFFAOYSA-N	0	3	301.434	2.547	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCCN(c3ccncc3)CC2)cc1	ZINC000601250222	399264000	/nfs/dbraw/zinc/26/40/00/399264000.db2.gz	JJWBKACNNVXWMS-UHFFFAOYSA-N	0	3	321.384	2.697	20	30		DFEDHN
CCn1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1=O	ZINC000618990185	399272392	/nfs/dbraw/zinc/27/23/92/399272392.db2.gz	ZONLBTMABCLAMF-SFHVURJKSA-N	0	3	307.397	2.907	20	30		DFEDHN
COc1ccc(CC[C@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601315979	399275795	/nfs/dbraw/zinc/27/57/95/399275795.db2.gz	RHFMNICKOXGULM-INIZCTEOSA-N	0	3	301.434	2.548	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601447466	399290233	/nfs/dbraw/zinc/29/02/33/399290233.db2.gz	PZRFJBIMZQIDDG-RDJZCZTQSA-N	0	3	323.440	2.707	20	30		DFEDHN
CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000608822163	399297842	/nfs/dbraw/zinc/29/78/42/399297842.db2.gz	GYKBQBUSBAYPAT-MSOLQXFVSA-N	0	3	313.445	2.953	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)Cc1cccc(C#N)c1	ZINC000601622789	399310475	/nfs/dbraw/zinc/31/04/75/399310475.db2.gz	VHRGGBPGPMFLFG-UHFFFAOYSA-N	0	3	323.396	2.810	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)c(F)c1	ZINC000601628547	399311649	/nfs/dbraw/zinc/31/16/49/399311649.db2.gz	UCHBMPPTVLZPMN-UHFFFAOYSA-N	0	3	301.365	2.910	20	30		DFEDHN
Cc1ccc2c(c1)[C@H](NCc1cnc3c(C#N)cnn3c1)CC2	ZINC000609288258	399312187	/nfs/dbraw/zinc/31/21/87/399312187.db2.gz	JNDRVOGRWMCLKL-QGZVFWFLSA-N	0	3	303.369	2.687	20	30		DFEDHN
N#CCN1CCC(NCc2ccccc2OC(F)(F)F)CC1	ZINC000609335186	399314340	/nfs/dbraw/zinc/31/43/40/399314340.db2.gz	XHUCJOGTHPCSRZ-UHFFFAOYSA-N	0	3	313.323	2.663	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(C#N)cc1Cl	ZINC000615231885	399315226	/nfs/dbraw/zinc/31/52/26/399315226.db2.gz	JULPFXYDCUYQJS-RHSMWYFYSA-N	0	3	319.836	2.948	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000043329942	183355695	/nfs/dbraw/zinc/35/56/95/183355695.db2.gz	IQTGECZKAUDPNZ-GOSISDBHSA-N	0	3	322.412	2.853	20	30		DFEDHN
CSC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000601691484	399322032	/nfs/dbraw/zinc/32/20/32/399322032.db2.gz	MAFRJDGNGSFQIE-HNNXBMFYSA-N	0	3	313.426	2.595	20	30		DFEDHN
CN(C)[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1C#N)c1ccccc1	ZINC000601737231	399329515	/nfs/dbraw/zinc/32/95/15/399329515.db2.gz	LXGNFDBFLQKXOJ-OAHLLOKOSA-N	0	3	323.400	2.790	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c3c2CCCN3)CC1	ZINC000287013128	335038507	/nfs/dbraw/zinc/03/85/07/335038507.db2.gz	JHJANYDLVYNHMJ-UHFFFAOYSA-N	0	3	311.429	2.637	20	30		DFEDHN
C=CCCC(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1	ZINC000286683219	335039028	/nfs/dbraw/zinc/03/90/28/335039028.db2.gz	ZNVRRUTWEYZRJG-HNNXBMFYSA-N	0	3	316.449	2.678	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2Cc3ccccc32)cc1	ZINC000619359193	399333281	/nfs/dbraw/zinc/33/32/81/399333281.db2.gz	FXSRIQZTOGOUEN-ZWKOTPCHSA-N	0	3	315.376	2.697	20	30		DFEDHN
CC[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601812202	399341183	/nfs/dbraw/zinc/34/11/83/399341183.db2.gz	HSTCMDLDBQECKA-AEFFLSMTSA-N	0	3	300.402	2.522	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@H]1CCCO1	ZINC000284704162	218142232	/nfs/dbraw/zinc/14/22/32/218142232.db2.gz	IRPCLQXKFLWFFZ-HZPDHXFCSA-N	0	3	316.401	2.589	20	30		DFEDHN
CN1CC=C(CNc2ccc(C#N)cc2Br)CC1	ZINC000273914974	211171397	/nfs/dbraw/zinc/17/13/97/211171397.db2.gz	JBDWXCWXHFXRFP-UHFFFAOYSA-N	0	3	306.207	2.995	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@@H]2CCN(CCCCC#N)C2)o1	ZINC000610249155	399350406	/nfs/dbraw/zinc/35/04/06/399350406.db2.gz	ZEEDLJBAMFWIDX-OAHLLOKOSA-N	0	3	304.438	2.998	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCCC[C@H]1C)c1cccc(C#N)c1	ZINC000610335270	399357683	/nfs/dbraw/zinc/35/76/83/399357683.db2.gz	ILMQUFSUVXGCRA-HUUCEWRRSA-N	0	3	314.433	2.793	20	30		DFEDHN
N#C[C@@]1(F)CCN(Cc2ccc(OCCN3CCCC3)cc2)C1	ZINC000615650369	399367632	/nfs/dbraw/zinc/36/76/32/399367632.db2.gz	JUDVRRUPYYKNEN-SFHVURJKSA-N	0	3	317.408	2.599	20	30		DFEDHN
CC[C@H]1CN(CCn2cccn2)CCN1CCCC(C)(C)C#N	ZINC000610447828	399368667	/nfs/dbraw/zinc/36/86/67/399368667.db2.gz	GRCPSQFZNKIMBD-KRWDZBQOSA-N	0	3	317.481	2.609	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CC2(CCC2)[C@H]1C1CC1	ZINC000601958562	399369153	/nfs/dbraw/zinc/36/91/53/399369153.db2.gz	MVLJJOWYDFSXLL-SJLPKXTDSA-N	0	3	312.413	2.562	20	30		DFEDHN
CCn1cc(CCN2CCC(Oc3ccc(C#N)cc3)CC2)cn1	ZINC000284999268	218250949	/nfs/dbraw/zinc/25/09/49/218250949.db2.gz	LNOKXOVOHZAFIG-UHFFFAOYSA-N	0	3	324.428	2.861	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNCCn2cccn2)cc1OC	ZINC000623371413	399374115	/nfs/dbraw/zinc/37/41/15/399374115.db2.gz	BLXBTXIHDPTLBB-UHFFFAOYSA-N	0	3	321.808	2.900	20	30		DFEDHN
CC(C)OCCN1CCC(NCc2cccc(F)c2C#N)CC1	ZINC000602010950	399383060	/nfs/dbraw/zinc/38/30/60/399383060.db2.gz	GNIYXONVSUTZRE-UHFFFAOYSA-N	0	3	319.424	2.676	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1CCOc1cccc(C#N)c1	ZINC000610583000	399382810	/nfs/dbraw/zinc/38/28/10/399382810.db2.gz	KKDFIRIGOLAQLC-ZWKOTPCHSA-N	0	3	313.445	2.886	20	30		DFEDHN
CN1CCC(n2cc(NCc3cccc(F)c3C#N)cn2)CC1	ZINC000602017670	399385343	/nfs/dbraw/zinc/38/53/43/399385343.db2.gz	RITBPYTYKSHIGK-UHFFFAOYSA-N	0	3	313.380	2.773	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccsc1	ZINC000619783256	399391646	/nfs/dbraw/zinc/39/16/46/399391646.db2.gz	PYDDCIFFNCEWNV-CZUORRHYSA-N	0	3	316.426	2.905	20	30		DFEDHN
CCN1C[C@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)[C@@H](C)C1	ZINC000610678658	399392166	/nfs/dbraw/zinc/39/21/66/399392166.db2.gz	ZMHYNKWFZDMULK-LRDDRELGSA-N	0	3	312.392	2.728	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610720698	399397450	/nfs/dbraw/zinc/39/74/50/399397450.db2.gz	ATOVDRWYQWVULW-WMLDXEAASA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1cnn(Cc2ccccc2)c1	ZINC000610813601	399409396	/nfs/dbraw/zinc/40/93/96/399409396.db2.gz	LXTYINCVZQDTMN-INIZCTEOSA-N	0	3	323.444	2.570	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCn2nccc21	ZINC000602215725	399411120	/nfs/dbraw/zinc/41/11/20/399411120.db2.gz	YFTBNOWWILBEPA-JKSUJKDBSA-N	0	3	308.385	2.607	20	30		DFEDHN
CN(CCOC(C)(C)C)CCC(=O)Nc1ccccc1C#N	ZINC000610859658	399413147	/nfs/dbraw/zinc/41/31/47/399413147.db2.gz	GFPCIOFYFWDNIY-UHFFFAOYSA-N	0	3	303.406	2.634	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c(Cl)c1	ZINC000610877169	399415101	/nfs/dbraw/zinc/41/51/01/399415101.db2.gz	LPFYOBXLIRSKCC-CYBMUJFWSA-N	0	3	318.808	2.817	20	30		DFEDHN
COc1cccc2c1OC[C@@H](NCc1ccc(C#N)cc1F)C2	ZINC000610946835	399420289	/nfs/dbraw/zinc/42/02/89/399420289.db2.gz	FZTXXETXRBIMKC-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)CC1	ZINC000623579362	399421110	/nfs/dbraw/zinc/42/11/10/399421110.db2.gz	YJPZVCJEZSGJDV-JLVBRIDZSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nc2cc(Cl)ccc2c1=O	ZINC000058085091	184073298	/nfs/dbraw/zinc/07/32/98/184073298.db2.gz	SCBIAHOOXNIXAP-UHFFFAOYSA-N	0	3	323.849	2.890	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000610972577	399423752	/nfs/dbraw/zinc/42/37/52/399423752.db2.gz	VQJFSYZSKKCENS-BHYGNILZSA-N	0	3	314.433	2.671	20	30		DFEDHN
N#Cc1cc(CN2CCC3(CC2)OCc2ccccc23)ccn1	ZINC000610994509	399426036	/nfs/dbraw/zinc/42/60/36/399426036.db2.gz	SCEJIXRVVWAWDM-UHFFFAOYSA-N	0	3	305.381	2.975	20	30		DFEDHN
C[C@H]1CN(CCCCNc2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000269038407	207187051	/nfs/dbraw/zinc/18/70/51/207187051.db2.gz	LJSLHTVNVKZHDK-KBPBESRZSA-N	0	3	305.397	2.999	20	30		DFEDHN
C[C@@H](CCC#N)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000602437954	399443995	/nfs/dbraw/zinc/44/39/95/399443995.db2.gz	ZSQQDCWHIVKFPG-AWEZNQCLSA-N	0	3	315.417	2.983	20	30		DFEDHN
N#Cc1ccccc1N1CCN(CC2CCSCC2)CC1	ZINC000602436939	399444079	/nfs/dbraw/zinc/44/40/79/399444079.db2.gz	BEJIQXRQIVZTED-UHFFFAOYSA-N	0	3	301.459	2.823	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000602432207	399442459	/nfs/dbraw/zinc/44/24/59/399442459.db2.gz	FEWOMTLGXNJOOO-AWEZNQCLSA-N	0	3	302.378	2.657	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](c1ccco1)N(C)C	ZINC000602499667	399461336	/nfs/dbraw/zinc/46/13/36/399461336.db2.gz	RVWLGZPEQCFJCQ-GJZGRUSLSA-N	0	3	305.422	2.571	20	30		DFEDHN
Cc1cc(N2CCN(C)CC2)ccc1NCc1cccc(C#N)n1	ZINC000602495837	399461353	/nfs/dbraw/zinc/46/13/53/399461353.db2.gz	XSHYZVLQOUGOOV-UHFFFAOYSA-N	0	3	321.428	2.626	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)OCCO2	ZINC000602501334	399462042	/nfs/dbraw/zinc/46/20/42/399462042.db2.gz	AEUXIIATYWAESJ-CQSZACIVSA-N	0	3	316.401	2.646	20	30		DFEDHN
CC(=O)Nc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1	ZINC000602513825	399465903	/nfs/dbraw/zinc/46/59/03/399465903.db2.gz	DVKTYFYFSUKTJF-CQSZACIVSA-N	0	3	315.417	2.834	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C)CC(=O)N(CC)CC)cc1	ZINC000287342359	335045425	/nfs/dbraw/zinc/04/54/25/335045425.db2.gz	GKDYSZHCEBQBKF-OAHLLOKOSA-N	0	3	304.434	2.988	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000287436864	335046265	/nfs/dbraw/zinc/04/62/65/335046265.db2.gz	ZWMXKCAFLRWCDX-HNNXBMFYSA-N	0	3	322.412	2.553	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000287684574	335046499	/nfs/dbraw/zinc/04/64/99/335046499.db2.gz	IHLDWRPUJQYCKK-YLJYHZDGSA-N	0	3	322.452	2.676	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc(CO)c(F)c1	ZINC000602522298	399467255	/nfs/dbraw/zinc/46/72/55/399467255.db2.gz	UGLPIVJKIFJISH-CYBMUJFWSA-N	0	3	306.381	2.507	20	30		DFEDHN
C[C@@H](NC[C@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000611387677	399469095	/nfs/dbraw/zinc/46/90/95/399469095.db2.gz	SCOJRRGXNBNNPY-BEFAXECRSA-N	0	3	310.397	2.787	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCC(=O)Nc1ccccn1	ZINC000611392367	399469364	/nfs/dbraw/zinc/46/93/64/399469364.db2.gz	NRIHDFMBQCGXGO-QGZVFWFLSA-N	0	3	320.396	2.949	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC[C@H]1CCCO1	ZINC000611392898	399469576	/nfs/dbraw/zinc/46/95/76/399469576.db2.gz	UQUBWGXTAICBNL-AEFFLSMTSA-N	0	3	300.402	2.721	20	30		DFEDHN
N#CCN1CCC(NCc2ccc3ccc(F)c(F)c3n2)CC1	ZINC000602540149	399470982	/nfs/dbraw/zinc/47/09/82/399470982.db2.gz	WQYZUSPCQKDCCS-UHFFFAOYSA-N	0	3	316.355	2.591	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCCN(c3cccc(F)c3)C2)n1	ZINC000602547331	399472575	/nfs/dbraw/zinc/47/25/75/399472575.db2.gz	WZDFBQOZESRRLY-KRWDZBQOSA-N	0	3	310.376	2.851	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(N(C)C)c1	ZINC000602541639	399471747	/nfs/dbraw/zinc/47/17/47/399471747.db2.gz	QKSZHVKFQMEQGI-HNNXBMFYSA-N	0	3	301.434	2.941	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000602549957	399473300	/nfs/dbraw/zinc/47/33/00/399473300.db2.gz	GLRMPXIHPFQKFW-GXTWGEPZSA-N	0	3	305.809	2.975	20	30		DFEDHN
CC(C)(C)OC(=O)CCCCCNCc1cccc(C#N)n1	ZINC000602563974	399477562	/nfs/dbraw/zinc/47/75/62/399477562.db2.gz	BULUEHVBBBJNTB-UHFFFAOYSA-N	0	3	303.406	2.945	20	30		DFEDHN
CCc1nnc2n1C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000611470785	399479510	/nfs/dbraw/zinc/47/95/10/399479510.db2.gz	RDSFSJAZVYQEFQ-RISCZKNCSA-N	0	3	313.380	2.517	20	30		DFEDHN
CC[C@@H](CS(=O)(=O)c1ccccc1)NC[C@H](C)CCC#N	ZINC000602579603	399481378	/nfs/dbraw/zinc/48/13/78/399481378.db2.gz	BNSMXJJGGRZRJQ-CABCVRRESA-N	0	3	308.447	2.768	20	30		DFEDHN
CN(C(=O)[C@@H](N)CCCC#N)[C@H](CCc1ccccc1)C(F)F	ZINC000602582597	399482360	/nfs/dbraw/zinc/48/23/60/399482360.db2.gz	NZTSQVWIUQZTKM-LSDHHAIUSA-N	0	3	323.387	2.732	20	30		DFEDHN
CCc1nnc2n1C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2	ZINC000611590032	399497940	/nfs/dbraw/zinc/49/79/40/399497940.db2.gz	YTRRGHBXKZMDCX-AAEUAGOBSA-N	0	3	313.380	2.517	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)NCC(C)(C)C#N)N(C)C)cc1	ZINC000611622895	399500278	/nfs/dbraw/zinc/50/02/78/399500278.db2.gz	DFHJCSPZXACGIF-MRXNPFEDSA-N	0	3	316.449	2.701	20	30		DFEDHN
N#Cc1cccc(CNC[C@H]2CCCN(c3ccccc3)C2)n1	ZINC000602639318	399499359	/nfs/dbraw/zinc/49/93/59/399499359.db2.gz	JMYCMDINUHVSFJ-MRXNPFEDSA-N	0	3	306.413	2.959	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)Cc2cccc(C#N)n2)c1	ZINC000602657693	399504789	/nfs/dbraw/zinc/50/47/89/399504789.db2.gz	RUYOGUZCPNIKIR-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
C[C@@H](CN(Cc1cccc(C#N)n1)[C@@H](C)CO)c1ccccc1	ZINC000602666705	399510860	/nfs/dbraw/zinc/51/08/60/399510860.db2.gz	NZOHYNNVBWOZMC-HOTGVXAUSA-N	0	3	309.413	2.940	20	30		DFEDHN
CCn1ccc(CN(C)CCOc2ccc(C#N)cc2OC)c1	ZINC000616786372	399512431	/nfs/dbraw/zinc/51/24/31/399512431.db2.gz	WRRDMVLBNIZBSE-UHFFFAOYSA-N	0	3	313.401	2.899	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@H](OCC(C)C)C1	ZINC000119616664	195002973	/nfs/dbraw/zinc/00/29/73/195002973.db2.gz	UABCXNGDJCPFES-MRXNPFEDSA-N	0	3	318.417	2.693	20	30		DFEDHN
CN(C)CCOc1ccccc1CNCc1ccc(C#N)cc1	ZINC000119737191	195028356	/nfs/dbraw/zinc/02/83/56/195028356.db2.gz	BIKPZIQTVHOLHA-UHFFFAOYSA-N	0	3	309.413	2.788	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C#N)c1	ZINC000119741825	195028462	/nfs/dbraw/zinc/02/84/62/195028462.db2.gz	QYPGTZACXYTJLT-BEFAXECRSA-N	0	3	319.408	2.809	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(OC(C)(C)C)n2)CC1	ZINC000625320697	399519149	/nfs/dbraw/zinc/51/91/49/399519149.db2.gz	GHAZXZVCTPITRE-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=C(C)[C@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)OCC	ZINC000270018749	208070456	/nfs/dbraw/zinc/07/04/56/208070456.db2.gz	IGLBTOAJBQJGRO-KRWDZBQOSA-N	0	3	320.433	2.937	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)OCC	ZINC000270106156	208165488	/nfs/dbraw/zinc/16/54/88/208165488.db2.gz	HZWJAICFBOFZPG-QZTJIDSGSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@H](c1ccccc1)[C@H](C)O	ZINC000602715427	399535289	/nfs/dbraw/zinc/53/52/89/399535289.db2.gz	NAYWFCGBFHJFKX-VYDXJSESSA-N	0	3	302.418	2.797	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1Cc2ccccc2CO1	ZINC000602721864	399540424	/nfs/dbraw/zinc/54/04/24/399540424.db2.gz	XQEVKJJAOXYKBO-QAPCUYQASA-N	0	3	314.429	2.816	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@H](CO)c2ccc(F)cc2)c1	ZINC000273087975	210468092	/nfs/dbraw/zinc/46/80/92/210468092.db2.gz	IYJNDYSUJFEPGY-GOSISDBHSA-N	0	3	314.360	2.789	20	30		DFEDHN
C[C@H](N1CCc2c(CC#N)cccc2C1)C(C)(C)n1cncn1	ZINC000602729423	399544396	/nfs/dbraw/zinc/54/43/96/399544396.db2.gz	KWTCLVACERUPTH-AWEZNQCLSA-N	0	3	309.417	2.526	20	30		DFEDHN
CC[C@@]1(O)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000602740004	399549980	/nfs/dbraw/zinc/54/99/80/399549980.db2.gz	POBQIYLAONKCJZ-LJQANCHMSA-N	0	3	324.428	2.696	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](Cc1ccc(C)cc1)C1CC1	ZINC000272900502	210289319	/nfs/dbraw/zinc/28/93/19/210289319.db2.gz	VCLZWQMCQDUKND-QGZVFWFLSA-N	0	3	307.459	2.507	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288081758	335049545	/nfs/dbraw/zinc/04/95/45/335049545.db2.gz	FZYWVGKFYNXEAE-NUJGCVRESA-N	0	3	316.445	2.747	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000602770121	399565593	/nfs/dbraw/zinc/56/55/93/399565593.db2.gz	WHQZOLKSUBMDFF-MOPGFXCFSA-N	0	3	316.445	2.681	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000629322520	399572110	/nfs/dbraw/zinc/57/21/10/399572110.db2.gz	MOGICNQOBJQMNE-WCXIOVBPSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000620736365	399580020	/nfs/dbraw/zinc/58/00/20/399580020.db2.gz	XXDYUCNVEKUOTR-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000620736366	399580368	/nfs/dbraw/zinc/58/03/68/399580368.db2.gz	XXDYUCNVEKUOTR-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC2(CC#N)CC2)on1	ZINC000602813462	399586643	/nfs/dbraw/zinc/58/66/43/399586643.db2.gz	GBJCMPFBAXGCLF-GJZGRUSLSA-N	0	3	320.412	2.521	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612122156	399587139	/nfs/dbraw/zinc/58/71/39/399587139.db2.gz	DBMLCXKHCIUQTH-INMHGKMJSA-N	0	3	306.454	2.585	20	30		DFEDHN
CN1CC[C@@H](NCC2(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1	ZINC000602823013	399590042	/nfs/dbraw/zinc/59/00/42/399590042.db2.gz	ISVNXWCBIRZTSV-CVEARBPZSA-N	0	3	305.372	2.993	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629414035	399596324	/nfs/dbraw/zinc/59/63/24/399596324.db2.gz	FRLHPZLHNASKKN-UHFFFAOYSA-N	0	3	308.466	2.692	20	30		DFEDHN
CCO[C@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156495409	197118260	/nfs/dbraw/zinc/11/82/60/197118260.db2.gz	KONHNGDVCYZTBU-ULQDDVLXSA-N	0	3	302.418	2.727	20	30		DFEDHN
C[C@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1	ZINC000155514178	197062086	/nfs/dbraw/zinc/06/20/86/197062086.db2.gz	HLZHQCIKMOYHNJ-HZPDHXFCSA-N	0	3	321.428	2.662	20	30		DFEDHN
C[C@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1	ZINC000155514288	197062222	/nfs/dbraw/zinc/06/22/22/197062222.db2.gz	HLZHQCIKMOYHNJ-CVEARBPZSA-N	0	3	321.428	2.662	20	30		DFEDHN
COc1ccccc1CCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602855377	399604908	/nfs/dbraw/zinc/60/49/08/399604908.db2.gz	TVJUXYRYJXNORJ-IYBDPMFKSA-N	0	3	301.434	2.546	20	30		DFEDHN
CC(C)c1nnc(CC2CCN(C[C@H](C#N)CCC#N)CC2)[nH]1	ZINC000602859638	399606852	/nfs/dbraw/zinc/60/68/52/399606852.db2.gz	DSUGMGJOLWAOLJ-HNNXBMFYSA-N	0	3	314.437	2.626	20	30		DFEDHN
CN1CCN(CCCOc2cccc(C#N)c2)C[C@H]1C(C)(C)C	ZINC000602874980	399610885	/nfs/dbraw/zinc/61/08/85/399610885.db2.gz	WZEHMNCIPQVDKQ-SFHVURJKSA-N	0	3	315.461	2.989	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2sccc2C#N)cc1	ZINC000052031653	542445551	/nfs/dbraw/zinc/44/55/51/542445551.db2.gz	HUHYELMXDJSYEE-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2cccc(OCC)c2)C1	ZINC000625699928	399616046	/nfs/dbraw/zinc/61/60/46/399616046.db2.gz	FCDSNVWQQVRGJZ-HNNXBMFYSA-N	0	3	302.418	2.600	20	30		DFEDHN
N#CCc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602890347	399617275	/nfs/dbraw/zinc/61/72/75/399617275.db2.gz	HNRFKWDSPHBNGA-MSOLQXFVSA-N	0	3	314.429	2.552	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1	ZINC000602891165	399617343	/nfs/dbraw/zinc/61/73/43/399617343.db2.gz	LJWYQCQCBGKMBO-MSOLQXFVSA-N	0	3	314.429	2.667	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1	ZINC000625703254	399618142	/nfs/dbraw/zinc/61/81/42/399618142.db2.gz	JONVJWHWAIEKBX-QWHCGFSZSA-N	0	3	304.356	2.685	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NC[C@](C)(O)C(F)(F)F)cc1	ZINC000271569149	209021963	/nfs/dbraw/zinc/02/19/63/209021963.db2.gz	VLAKKUVRVAMLIW-FZMZJTMJSA-N	0	3	301.308	2.663	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C1CC1	ZINC000271588885	209038443	/nfs/dbraw/zinc/03/84/43/209038443.db2.gz	SODOVNYSFRQTIA-OAHLLOKOSA-N	0	3	301.434	2.867	20	30		DFEDHN
CC1(C)CO[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)C1	ZINC000602898841	399620085	/nfs/dbraw/zinc/62/00/85/399620085.db2.gz	YEDNVQKZWAPGCU-KRWDZBQOSA-N	0	3	314.429	2.969	20	30		DFEDHN
N#CCSCCCN[C@@H](c1ccncc1)C1(CO)CCC1	ZINC000602903343	399620778	/nfs/dbraw/zinc/62/07/78/399620778.db2.gz	QWKWBHXDWHVJKZ-HNNXBMFYSA-N	0	3	305.447	2.522	20	30		DFEDHN
CN(C)C[C@@H]1COC2(CCCC2)CN1Cc1ccccc1C#N	ZINC000602905710	399621588	/nfs/dbraw/zinc/62/15/88/399621588.db2.gz	GNZPORDUQSVWHO-GOSISDBHSA-N	0	3	313.445	2.633	20	30		DFEDHN
N#Cc1ccc(C2CCN(CCO[C@H]3CC3(F)F)CC2)nc1	ZINC000602904951	399622390	/nfs/dbraw/zinc/62/23/90/399622390.db2.gz	BTVCMRLQEITMAK-HNNXBMFYSA-N	0	3	307.344	2.557	20	30		DFEDHN
CC[C@](C)(NCCC(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000602923858	399628972	/nfs/dbraw/zinc/62/89/72/399628972.db2.gz	KGCSFRPPMUHQOP-KRWDZBQOSA-N	0	3	305.397	2.803	20	30		DFEDHN
C#Cc1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)cc1	ZINC000289354919	335058086	/nfs/dbraw/zinc/05/80/86/335058086.db2.gz	XYGQECJEESXMSG-OAQYLSRUSA-N	0	3	320.436	2.831	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3cc(F)cc(C#N)c3)C2)C1	ZINC000603070643	399671804	/nfs/dbraw/zinc/67/18/04/399671804.db2.gz	PQJAHVKFUXTKLU-KRWDZBQOSA-N	0	3	316.380	2.647	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603073746	399672954	/nfs/dbraw/zinc/67/29/54/399672954.db2.gz	OHMFYNDHIQKMCS-UHFFFAOYSA-N	0	3	316.380	2.789	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1	ZINC000625801665	399649589	/nfs/dbraw/zinc/64/95/89/399649589.db2.gz	WAOYBKURBGPNIB-DNVCBOLYSA-N	0	3	315.413	2.814	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccnc(C#N)c1)N(C)Cc1ccccc1	ZINC000603133157	399690370	/nfs/dbraw/zinc/69/03/70/399690370.db2.gz	VXHPGWLNQAPWKZ-CQSZACIVSA-N	0	3	323.400	2.595	20	30		DFEDHN
C[C@@H](NC(=O)Nc1ccnc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000603133909	399691289	/nfs/dbraw/zinc/69/12/89/399691289.db2.gz	JFNATQDLPZXJQE-DYVFJYSZSA-N	0	3	323.400	2.766	20	30		DFEDHN
C=CCC1(NCc2nnnn2CC(F)(F)F)CCCCC1	ZINC000625934530	399691495	/nfs/dbraw/zinc/69/14/95/399691495.db2.gz	QSJJUHKIWCAJEY-UHFFFAOYSA-N	0	3	303.332	2.604	20	30		DFEDHN
C=CCC1(NCc2csc(CC(=O)NC)n2)CCCCC1	ZINC000625936602	399691568	/nfs/dbraw/zinc/69/15/68/399691568.db2.gz	QYMIDMMPEYNFFQ-UHFFFAOYSA-N	0	3	307.463	2.800	20	30		DFEDHN
N#CCCCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145192	399695235	/nfs/dbraw/zinc/69/52/35/399695235.db2.gz	NPNBUXLXBGZBMT-UONOGXRCSA-N	0	3	300.324	2.804	20	30		DFEDHN
N#Cc1ccc(Cn2cc(CNC3CCCC3)nn2)c(Cl)c1	ZINC000603227554	399716526	/nfs/dbraw/zinc/71/65/26/399716526.db2.gz	UFEQMDXEYFOSKW-UHFFFAOYSA-N	0	3	315.808	2.884	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cc(C#N)c(Br)cn2)CCN1C	ZINC000603297898	399735518	/nfs/dbraw/zinc/73/55/18/399735518.db2.gz	RBKZUFOZZVAIII-ONGXEEELSA-N	0	3	309.211	2.610	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2c(C#N)cnn2-c2ccccc2)CN1C1CC1	ZINC000603307960	399739687	/nfs/dbraw/zinc/73/96/87/399739687.db2.gz	DQUNARXOXQJUHJ-DZGCQCFKSA-N	0	3	307.401	2.781	20	30		DFEDHN
CN1CCC[C@]2(CCN(c3c(C#N)cnn3-c3ccccc3)C2)C1	ZINC000603384547	399760583	/nfs/dbraw/zinc/76/05/83/399760583.db2.gz	UHFAWCHTPKXQPG-IBGZPJMESA-N	0	3	321.428	2.666	20	30		DFEDHN
C[C@H]1CN(c2c(C#N)cnn2-c2ccccc2)CCN(C2CC2)C1	ZINC000603385308	399761960	/nfs/dbraw/zinc/76/19/60/399761960.db2.gz	QTZWKDOEPDJSOX-OAHLLOKOSA-N	0	3	321.428	2.664	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1	ZINC000289762119	335065221	/nfs/dbraw/zinc/06/52/21/335065221.db2.gz	RASNMJNXQOAJHW-SJLPKXTDSA-N	0	3	316.445	2.546	20	30		DFEDHN
C#Cc1ccc(CN2C[C@H](O)C[C@H]2c2cccc(OC)c2)cc1	ZINC000289806741	335065771	/nfs/dbraw/zinc/06/57/71/335065771.db2.gz	SOPFOZXJTBBTRU-QUCCMNQESA-N	0	3	307.393	2.984	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000617914351	399830689	/nfs/dbraw/zinc/83/06/89/399830689.db2.gz	UPDMFWWCPOTXAK-IAGOWNOFSA-N	0	3	322.412	2.888	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](C)C(C)(C)n1cncn1	ZINC000289939790	335067040	/nfs/dbraw/zinc/06/70/40/335067040.db2.gz	WBPQQCSNKXTJCS-AWEZNQCLSA-N	0	3	300.406	2.756	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1	ZINC000289945541	335067063	/nfs/dbraw/zinc/06/70/63/335067063.db2.gz	WDODQPLOJIJXKY-ONGXEEELSA-N	0	3	300.196	2.655	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCCc2nnc(C)s2)cc1	ZINC000289924969	335067137	/nfs/dbraw/zinc/06/71/37/335067137.db2.gz	VDQXXUXDKSEJCN-LBPRGKRZSA-N	0	3	301.415	2.752	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OCC(F)(F)F)c(OCC)c1	ZINC000289912062	335067217	/nfs/dbraw/zinc/06/72/17/335067217.db2.gz	RRCOMHSNSAHKCU-GFCCVEGCSA-N	0	3	319.323	2.663	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(SC)cc1	ZINC000563863556	335069141	/nfs/dbraw/zinc/06/91/41/335069141.db2.gz	QAXIIMCAIHYAJP-CABCVRRESA-N	0	3	306.431	2.670	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000604380328	399841069	/nfs/dbraw/zinc/84/10/69/399841069.db2.gz	LKRRZDZUUFSLTI-LJQANCHMSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000604380327	399841621	/nfs/dbraw/zinc/84/16/21/399841621.db2.gz	LKRRZDZUUFSLTI-IBGZPJMESA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@@H](C1CC1)N(CC#CCN1C(=O)c2ccccc2C1=O)C1CC1	ZINC000625083145	399842664	/nfs/dbraw/zinc/84/26/64/399842664.db2.gz	FSSFEFHRTXQGHT-AWEZNQCLSA-N	0	3	322.408	2.549	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1OC	ZINC000613301131	399844234	/nfs/dbraw/zinc/84/42/34/399844234.db2.gz	UCABMGFAVNMDDZ-CQSZACIVSA-N	0	3	316.405	2.563	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@H]1C(=O)NCCN1CCCCCC1	ZINC000328883692	543097967	/nfs/dbraw/zinc/09/79/67/543097967.db2.gz	MHTNUCAJGGCORH-INIZCTEOSA-N	0	3	323.481	2.856	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H]2COc3c2ccc(C)c3C)C1	ZINC000328952536	543098472	/nfs/dbraw/zinc/09/84/72/543098472.db2.gz	XSAFLYNQIVMCKQ-HOCLYGCPSA-N	0	3	317.433	2.725	20	30		DFEDHN
O=C(Nc1cccc(-c2c[nH]nn2)c1)C1CCN(C2CC2)CC1	ZINC000328687928	543096502	/nfs/dbraw/zinc/09/65/02/543096502.db2.gz	HIYIOSDHPSDWGW-UHFFFAOYSA-N	0	3	311.389	2.934	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](C(C)(C)C)C1=O)C(C)C	ZINC000348780373	543187459	/nfs/dbraw/zinc/18/74/59/543187459.db2.gz	PCHJWRJYRFWMAD-LSDHHAIUSA-N	0	3	321.465	2.652	20	30		DFEDHN
Cc1cccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000390851695	543307758	/nfs/dbraw/zinc/30/77/58/543307758.db2.gz	DSSPQHNFOJTQFF-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
CC(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1	ZINC000165736800	145232261	/nfs/dbraw/zinc/23/22/61/145232261.db2.gz	QPBWSIWZAXVMIX-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC(NCc3ccc(C#N)o3)CC2)cc1	ZINC000174341108	145376604	/nfs/dbraw/zinc/37/66/04/145376604.db2.gz	JXTHCBVJFDBSEX-UHFFFAOYSA-N	0	3	323.396	2.854	20	30		DFEDHN
CC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCS1	ZINC000174366058	145377819	/nfs/dbraw/zinc/37/78/19/145377819.db2.gz	ZGAHZKGYOQPDMN-LBPRGKRZSA-N	0	3	309.460	2.776	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000627121028	399918976	/nfs/dbraw/zinc/91/89/76/399918976.db2.gz	LOLCUDWSQBXRCR-INIZCTEOSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1ccncc1Br	ZINC000631125162	399985526	/nfs/dbraw/zinc/98/55/26/399985526.db2.gz	ALAKDRYRZIYCII-TZMCWYRMSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H]2CCC[C@@H]2O)cc1OC	ZINC000631251559	400012958	/nfs/dbraw/zinc/01/29/58/400012958.db2.gz	ZDFYUWXQWUCTJE-KBPBESRZSA-N	0	3	311.809	2.916	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CCOCC2)[nH]1	ZINC000631695374	400067295	/nfs/dbraw/zinc/06/72/95/400067295.db2.gz	JGJQEWNHABAPSS-ZFWWWQNUSA-N	0	3	304.438	2.923	20	30		DFEDHN
COc1ccccc1[C@H]1CNCCN1Cc1ccc(C#N)cc1	ZINC000261694079	146260959	/nfs/dbraw/zinc/26/09/59/146260959.db2.gz	JETQEANNERNONA-GOSISDBHSA-N	0	3	307.397	2.713	20	30		DFEDHN
C[C@@H](CCN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000354853658	147176975	/nfs/dbraw/zinc/17/69/75/147176975.db2.gz	PXVYDSUYHVPBOD-KBXCAEBGSA-N	0	3	307.397	2.868	20	30		DFEDHN
CCc1ccc([C@H](CNc2cc(C#N)cc(C)n2)N(C)C)cc1	ZINC000585702295	543461212	/nfs/dbraw/zinc/46/12/12/543461212.db2.gz	BEZIQTHTERKXTA-SFHVURJKSA-N	0	3	308.429	3.539	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(C#N)ccn1)N(C)C	ZINC000357851341	148149286	/nfs/dbraw/zinc/14/92/86/148149286.db2.gz	MHIPZHLUGITLKI-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H](NCCCOC1CCOCC1)c1ccc(C#N)cc1F	ZINC000358573162	148389345	/nfs/dbraw/zinc/38/93/45/148389345.db2.gz	QXFPCYYLCJODRA-CYBMUJFWSA-N	0	3	306.381	2.934	20	30		DFEDHN
N#Cc1ccc(CN(CCC(=O)Nc2cccnc2)C2CC2)cc1	ZINC000361713812	149199642	/nfs/dbraw/zinc/19/96/42/149199642.db2.gz	JQIJCMQPKBAWCD-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)s1	ZINC000362904685	149393488	/nfs/dbraw/zinc/39/34/88/149393488.db2.gz	ONPMPUSZOTWVLF-JHJVBQTASA-N	0	3	305.447	2.716	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1C#N	ZINC000362915531	149395283	/nfs/dbraw/zinc/39/52/83/149395283.db2.gz	BFIOMTRMUVQIDR-GOSISDBHSA-N	0	3	311.429	2.605	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@@H](O)c3ccccc3C2)cc1	ZINC000371829142	150101822	/nfs/dbraw/zinc/10/18/22/150101822.db2.gz	QPNQKEFHHZWZBT-RTBURBONSA-N	0	3	308.381	2.531	20	30		DFEDHN
COc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2CO)cc1C#N	ZINC000372772138	150183307	/nfs/dbraw/zinc/18/33/07/150183307.db2.gz	JHEGQEUNAQENMS-OXQOHEQNSA-N	0	3	322.408	2.952	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000372855871	150193177	/nfs/dbraw/zinc/19/31/77/150193177.db2.gz	HHTSDCHYJQAAJJ-RTBURBONSA-N	0	3	319.408	2.694	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000373107776	150232843	/nfs/dbraw/zinc/23/28/43/150232843.db2.gz	WQVGSAAWTJLQTE-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
COc1cc(CN[C@@H]2C[C@H](CO)c3ccccc32)ccc1C#N	ZINC000375606259	150476034	/nfs/dbraw/zinc/47/60/34/150476034.db2.gz	HJHDHRSMULQUFE-CRAIPNDOSA-N	0	3	308.381	2.877	20	30		DFEDHN
CC(C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCOCC1	ZINC000358590751	158392532	/nfs/dbraw/zinc/39/25/32/158392532.db2.gz	OBFOGKBUGNUDJU-KSSFIOAISA-N	0	3	319.424	2.705	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(C#N)c1	ZINC000362033805	287069338	/nfs/dbraw/zinc/06/93/38/287069338.db2.gz	VPRDLKFMMRVUAQ-KDOFPFPSSA-N	0	3	320.396	2.519	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C#N	ZINC000129536084	196056552	/nfs/dbraw/zinc/05/65/52/196056552.db2.gz	KQWUXSKDTQIILJ-YOEHRIQHSA-N	0	3	310.401	2.846	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(c3nncn3C)CC2)c1	ZINC000130592204	196093581	/nfs/dbraw/zinc/09/35/81/196093581.db2.gz	ZWPYCYDJTOJKNX-UHFFFAOYSA-N	0	3	312.417	2.760	20	30		DFEDHN
C[C@@H](O)CN(C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000130834856	196114022	/nfs/dbraw/zinc/11/40/22/196114022.db2.gz	VPANDCIDMUXYLV-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
COc1ccccc1OC[C@@H](C)CNCc1ccc(C#N)o1	ZINC000131393236	196164670	/nfs/dbraw/zinc/16/46/70/196164670.db2.gz	QZOJBVCJCBJSPK-ZDUSSCGKSA-N	0	3	300.358	2.965	20	30		DFEDHN
C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc(C#N)c1	ZINC000132560699	196265133	/nfs/dbraw/zinc/26/51/33/196265133.db2.gz	KUYNYLIUCQZOAE-DOMZBBRYSA-N	0	3	315.417	2.821	20	30		DFEDHN
CS[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1N(C)C	ZINC000271633760	209078987	/nfs/dbraw/zinc/07/89/87/209078987.db2.gz	OJNCMBJGLXVAEG-JKSUJKDBSA-N	0	3	312.442	2.588	20	30		DFEDHN
CS[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1N(C)C	ZINC000271633753	209080248	/nfs/dbraw/zinc/08/02/48/209080248.db2.gz	OJNCMBJGLXVAEG-HOTGVXAUSA-N	0	3	312.442	2.588	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000134292429	196377144	/nfs/dbraw/zinc/37/71/44/196377144.db2.gz	ZAQJCBXKLHUJQS-UHFFFAOYSA-N	0	3	321.352	2.504	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1nn(C)cc1C)C(C)C	ZINC000668222021	543771020	/nfs/dbraw/zinc/77/10/20/543771020.db2.gz	STTNRYWTHWDCMT-HNNXBMFYSA-N	0	3	319.453	2.549	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H]3COC[C@]3(C)C2)cc(OC)c1O	ZINC000668596804	543834570	/nfs/dbraw/zinc/83/45/70/543834570.db2.gz	MQSLXSOZYCJJQU-QAPCUYQASA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cscn1)C(C)C	ZINC000668682399	543844666	/nfs/dbraw/zinc/84/46/66/543844666.db2.gz	GCUWVWUMMAEAON-HNNXBMFYSA-N	0	3	307.463	2.500	20	30		DFEDHN
C=CCc1cc(CN2CC(C3CCOCC3)C2)cc(OC)c1O	ZINC000669715890	543988194	/nfs/dbraw/zinc/98/81/94/543988194.db2.gz	RRMAYFRSGDMRIT-UHFFFAOYSA-N	0	3	317.429	2.988	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)noc2C(F)F)CC1	ZINC000673662136	544190078	/nfs/dbraw/zinc/19/00/78/544190078.db2.gz	NCXXXIWGRNQNKU-UHFFFAOYSA-N	0	3	313.348	2.691	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1	ZINC000291238334	335079520	/nfs/dbraw/zinc/07/95/20/335079520.db2.gz	KYUKWSYZAHACDA-NRFANRHFSA-N	0	3	321.420	2.835	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000291238337	335079607	/nfs/dbraw/zinc/07/96/07/335079607.db2.gz	KYUKWSYZAHACDA-OAQYLSRUSA-N	0	3	321.420	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccc(C=C)cc2)CC1	ZINC000291282887	335080126	/nfs/dbraw/zinc/08/01/26/335080126.db2.gz	QODFDYFHZWUIEB-UHFFFAOYSA-N	0	3	313.445	2.822	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)n(C)c1C	ZINC000291216301	222229639	/nfs/dbraw/zinc/22/96/39/222229639.db2.gz	OOUVAGMBRBDVBI-LBPRGKRZSA-N	0	3	311.385	2.843	20	30		DFEDHN
COc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1C#N	ZINC000291324887	222313764	/nfs/dbraw/zinc/31/37/64/222313764.db2.gz	TWMZNTIRBPDCLR-FQEVSTJZSA-N	0	3	322.408	2.703	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1COC)C(C)C	ZINC000674613978	544246683	/nfs/dbraw/zinc/24/66/83/544246683.db2.gz	BBMPOWGXFAMOMW-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(CC)C[C@@H]1C	ZINC000674793234	544260216	/nfs/dbraw/zinc/26/02/16/544260216.db2.gz	VCJSWHIXIICZAN-DZGCQCFKSA-N	0	3	307.463	2.786	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CN(CC)C[C@H]1C	ZINC000674886069	544274169	/nfs/dbraw/zinc/27/41/69/544274169.db2.gz	JEAQZKFYXPFBCC-WBVHZDCISA-N	0	3	301.434	2.724	20	30		DFEDHN
C=C[C@@H](CC(=O)N[C@H]1CCCN(CCOC)C1)c1ccccc1	ZINC000677541716	544503530	/nfs/dbraw/zinc/50/35/30/544503530.db2.gz	SXLQOFRGCCVWBU-WMZOPIPTSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC)[C@@H](C)C2)cc1OC	ZINC000678261262	544636426	/nfs/dbraw/zinc/63/64/26/544636426.db2.gz	JMXNQNJHOCQSSM-HNNXBMFYSA-N	0	3	304.434	2.786	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc(C#N)nn1	ZINC000301962200	230004565	/nfs/dbraw/zinc/00/45/65/230004565.db2.gz	IIVJHBNIWVNVMG-YJBOKZPZSA-N	0	3	321.428	2.695	20	30		DFEDHN
CN(C)CCN(Cc1ccc(Cl)cc1)c1ccc(C#N)nn1	ZINC000301970751	230011953	/nfs/dbraw/zinc/01/19/53/230011953.db2.gz	RRCVHIDLIJXPGQ-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NCCN2CCCCC2)c1	ZINC000056578654	425895698	/nfs/dbraw/zinc/89/56/98/425895698.db2.gz	WFPUTKXTSIHPJX-UHFFFAOYSA-N	0	3	303.406	2.859	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(C#N)cc1	ZINC000523360253	269777546	/nfs/dbraw/zinc/77/75/46/269777546.db2.gz	NCRAQOCKVGPZPL-UHFFFAOYSA-N	0	3	323.396	2.810	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2Cc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000067715064	425912537	/nfs/dbraw/zinc/91/25/37/425912537.db2.gz	NLMXKYOUHQGKIQ-MDZRGWNJSA-N	0	3	313.445	2.632	20	30		DFEDHN
COC(=O)c1ccc(N2CCN(CCCCC#N)[C@@H](C)C2)cc1	ZINC000102400575	425919720	/nfs/dbraw/zinc/91/97/20/425919720.db2.gz	YNORLUDAJXKNBC-HNNXBMFYSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000155682949	425924051	/nfs/dbraw/zinc/92/40/51/425924051.db2.gz	PLSGPGLXWBPYDU-UXLLHSPISA-N	0	3	301.434	2.913	20	30		DFEDHN
N#Cc1ccc(OCCN2C[C@H](O)C[C@@H]2c2ccccc2)cc1	ZINC000411960696	269999892	/nfs/dbraw/zinc/99/98/92/269999892.db2.gz	ZFSHAEVZFXYPFG-IEBWSBKVSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1csc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1	ZINC000425348970	270001123	/nfs/dbraw/zinc/00/11/23/270001123.db2.gz	JYMUXPDXVQQXDS-DOTOQJQBSA-N	0	3	324.453	2.721	20	30		DFEDHN
N#Cc1cccc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-]	ZINC000450326181	270001149	/nfs/dbraw/zinc/00/11/49/270001149.db2.gz	XSZPZULBGCAVNX-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)Cc1cccc(F)c1)CC2	ZINC000453221369	270001616	/nfs/dbraw/zinc/00/16/16/270001616.db2.gz	OPVVHNXHWPTPEI-HKUYNNGSSA-N	0	3	310.372	2.878	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)Cc1cccc(O)c1	ZINC000533309971	270002725	/nfs/dbraw/zinc/00/27/25/270002725.db2.gz	QGHPRYBPOXEWAP-UHFFFAOYSA-N	0	3	315.398	2.786	20	30		DFEDHN
CN(C)CCN(C(=O)COc1ccccc1C#N)c1ccccc1	ZINC000069123925	425931055	/nfs/dbraw/zinc/93/10/55/425931055.db2.gz	UKWYDUHVZVQSCC-UHFFFAOYSA-N	0	3	323.396	2.532	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000102955238	425932957	/nfs/dbraw/zinc/93/29/57/425932957.db2.gz	MRGWNQAJLRWYKS-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN(Cc2cccnc2)C2CC2)cc1	ZINC000124734163	425935266	/nfs/dbraw/zinc/93/52/66/425935266.db2.gz	ATIWVUSLBHYLMY-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
CCN1C[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H]1C	ZINC000337005904	266158470	/nfs/dbraw/zinc/15/84/70/266158470.db2.gz	AUCGEABCYDLROS-WDEREUQCSA-N	0	3	312.339	2.891	20	30		DFEDHN
CCSCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280649053	266342911	/nfs/dbraw/zinc/34/29/11/266342911.db2.gz	ZZUJWXSYCOJMRR-XJKSGUPXSA-N	0	3	315.442	2.888	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1ccc(Br)cc1C#N	ZINC000347195866	266540873	/nfs/dbraw/zinc/54/08/73/266540873.db2.gz	KCEUANOAYJJLNX-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
CN1CCN(Cc2cccc(C#N)c2)C[C@@H]1Cc1ccccc1	ZINC000341995975	266591589	/nfs/dbraw/zinc/59/15/89/266591589.db2.gz	RFGDLDNOVNFXBY-FQEVSTJZSA-N	0	3	305.425	2.917	20	30		DFEDHN
COC1(CCN2CCN(c3ccc(C#N)cc3F)CC2)CCC1	ZINC000338955576	266676162	/nfs/dbraw/zinc/67/61/62/266676162.db2.gz	GFAVFYPNLOSNDG-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000349252429	266957222	/nfs/dbraw/zinc/95/72/22/266957222.db2.gz	MKJHADNUIRAVLU-CZUORRHYSA-N	0	3	304.353	2.513	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(C#N)cn1	ZINC000457501484	267007462	/nfs/dbraw/zinc/00/74/62/267007462.db2.gz	JLXLLHMTHYWXTN-MRXNPFEDSA-N	0	3	314.433	2.646	20	30		DFEDHN
CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)n2C)c1	ZINC000448676252	267060394	/nfs/dbraw/zinc/06/03/94/267060394.db2.gz	QRIOCPLAQQFBLT-UHFFFAOYSA-N	0	3	310.401	2.991	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000401315200	267082655	/nfs/dbraw/zinc/08/26/55/267082655.db2.gz	YGUOXTHPKJRWPL-ZBFHGGJFSA-N	0	3	307.401	2.813	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC	ZINC000451602539	267132082	/nfs/dbraw/zinc/13/20/82/267132082.db2.gz	XCXNHLPVWRLGQT-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCOC[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000459707263	267140857	/nfs/dbraw/zinc/14/08/57/267140857.db2.gz	JHMRCVWDCWOWJI-MRXNPFEDSA-N	0	3	318.417	2.837	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C)C1	ZINC000337338981	267159038	/nfs/dbraw/zinc/15/90/38/267159038.db2.gz	OGXGYLCGTFJAQK-UONOGXRCSA-N	0	3	300.406	2.800	20	30		DFEDHN
CC[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000414264587	267220716	/nfs/dbraw/zinc/22/07/16/267220716.db2.gz	QLAMKYWYXRMAJJ-HNNXBMFYSA-N	0	3	308.447	2.812	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000337008880	267227279	/nfs/dbraw/zinc/22/72/79/267227279.db2.gz	DFHNRKBQNGWSNB-ZANVPECISA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)o1	ZINC000342099937	267233999	/nfs/dbraw/zinc/23/39/99/267233999.db2.gz	LHQIGHRQISWWQE-YOEHRIQHSA-N	0	3	323.396	2.792	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000421363041	267243612	/nfs/dbraw/zinc/24/36/12/267243612.db2.gz	KLXMKHIOHDHJJI-WIEQDCTASA-N	0	3	308.422	2.867	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(C2CC2)C1	ZINC000437152739	267315169	/nfs/dbraw/zinc/31/51/69/267315169.db2.gz	FLIAECHYSJKTDV-OAHLLOKOSA-N	0	3	321.371	2.828	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C1CCCC1	ZINC000438577221	267318293	/nfs/dbraw/zinc/31/82/93/267318293.db2.gz	NITDUMWZPUOURV-SFHVURJKSA-N	0	3	311.429	2.924	20	30		DFEDHN
CN(Cc1cccc(O)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000527166722	267318778	/nfs/dbraw/zinc/31/87/78/267318778.db2.gz	HHCLZXHJAXJSEQ-KRWDZBQOSA-N	0	3	319.364	2.605	20	30		DFEDHN
C[C@@H](CNCc1ccc(C#N)cc1F)CNC(=O)OC(C)(C)C	ZINC000493980426	267702037	/nfs/dbraw/zinc/70/20/37/267702037.db2.gz	AESFUPQGNILMMS-LBPRGKRZSA-N	0	3	321.396	2.948	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000514982682	267779562	/nfs/dbraw/zinc/77/95/62/267779562.db2.gz	NOGLJCBKRPMCBH-JXIYXGQPSA-N	0	3	323.440	2.925	20	30		DFEDHN
CN(CCOc1ccccc1)CCC(=O)Nc1cccc(C#N)c1	ZINC000026222778	425810790	/nfs/dbraw/zinc/81/07/90/425810790.db2.gz	FXVXFRJULZVYIP-UHFFFAOYSA-N	0	3	323.396	2.898	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccc(CC)cc1)C(C)C	ZINC000015522517	425783591	/nfs/dbraw/zinc/78/35/91/425783591.db2.gz	YYGZLVKWXZSNAT-KRWDZBQOSA-N	0	3	317.433	2.548	20	30		DFEDHN
C[C@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Br	ZINC000433142843	267894394	/nfs/dbraw/zinc/89/43/94/267894394.db2.gz	FUXWBUAFJRWRGW-HZMBPMFUSA-N	0	3	309.207	2.835	20	30		DFEDHN
Cc1nnc(NC[C@H](c2cccc(F)c2)N(C)C)c(C#N)c1C	ZINC000029371922	425826518	/nfs/dbraw/zinc/82/65/18/425826518.db2.gz	MYELCENWRXKERG-MRXNPFEDSA-N	0	3	313.380	2.819	20	30		DFEDHN
Cc1ccc([C@@H](CNc2cc(C)ncc2C#N)N2CCCC2)o1	ZINC000425228818	268043757	/nfs/dbraw/zinc/04/37/57/268043757.db2.gz	QMRPMSTUAOOYSM-QGZVFWFLSA-N	0	3	310.401	2.834	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000047051961	425867939	/nfs/dbraw/zinc/86/79/39/425867939.db2.gz	CRSKWDYJWLWCLL-HNNXBMFYSA-N	0	3	316.449	2.848	20	30		DFEDHN
Cc1cccc2c1CC[C@@H]2NC[C@H](O)COc1ccccc1C#N	ZINC000530232063	268058670	/nfs/dbraw/zinc/05/86/70/268058670.db2.gz	WMXDYORLTOVKKR-LPHOPBHVSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c(F)c1	ZINC000344337855	268075168	/nfs/dbraw/zinc/07/51/68/268075168.db2.gz	FTOBTSRWCGRTLQ-MRXNPFEDSA-N	0	3	323.371	2.872	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)c(OC(F)F)c1	ZINC000348177599	268076387	/nfs/dbraw/zinc/07/63/87/268076387.db2.gz	CDYAGBBCSDMKAV-OCCSQVGLSA-N	0	3	310.344	2.800	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCCS2)cc1	ZINC000348421098	268085767	/nfs/dbraw/zinc/08/57/67/268085767.db2.gz	MCAVFKQBNNSURM-HOTGVXAUSA-N	0	3	313.426	2.642	20	30		DFEDHN
Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000459764304	268105245	/nfs/dbraw/zinc/10/52/45/268105245.db2.gz	CRDBQFJPCYNUIE-PBOSXPJTSA-N	0	3	301.390	2.873	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000267422515	268181135	/nfs/dbraw/zinc/18/11/35/268181135.db2.gz	LBJNVICOPGVJKG-LXZKKBNFSA-N	0	3	315.417	2.536	20	30		DFEDHN
N#Cc1ccc(CNCCC(=O)N2CCCCCC2)cc1F	ZINC000421345912	268232352	/nfs/dbraw/zinc/23/23/52/268232352.db2.gz	YACQOVNIXFKOPX-UHFFFAOYSA-N	0	3	303.381	2.580	20	30		DFEDHN
N#Cc1cccc(CCN[C@@H](c2nnc[nH]2)c2ccccc2)c1	ZINC000343992016	268244904	/nfs/dbraw/zinc/24/49/04/268244904.db2.gz	QOLXSQITJUVBES-QGZVFWFLSA-N	0	3	303.369	2.598	20	30		DFEDHN
N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000518982083	268280158	/nfs/dbraw/zinc/28/01/58/268280158.db2.gz	MIBSBJATGDKDRR-MRXNPFEDSA-N	0	3	320.396	2.804	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN1CCCC[C@@H]1c1ccco1)C2	ZINC000515384587	268316309	/nfs/dbraw/zinc/31/63/09/268316309.db2.gz	HWBJWSOVAUDMRL-DZGCQCFKSA-N	0	3	311.389	2.617	20	30		DFEDHN
CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n(C)c1	ZINC000048789690	425877397	/nfs/dbraw/zinc/87/73/97/425877397.db2.gz	VFGSXNZBLYGBGO-GFCCVEGCSA-N	0	3	306.325	2.594	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000309889703	268336609	/nfs/dbraw/zinc/33/66/09/268336609.db2.gz	MBNDGSSCILDUBQ-OLZOCXBDSA-N	0	3	303.406	2.950	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)n1	ZINC000324134763	268350201	/nfs/dbraw/zinc/35/02/01/268350201.db2.gz	KWCXSAWBRQGXCC-OAHLLOKOSA-N	0	3	321.428	2.615	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)NCc2ccc(C#N)cc2)c1	ZINC000048982363	425878170	/nfs/dbraw/zinc/87/81/70/425878170.db2.gz	ISHZZHZSRGXWFY-UHFFFAOYSA-N	0	3	322.412	2.619	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000125284245	425963614	/nfs/dbraw/zinc/96/36/14/425963614.db2.gz	UJNIAJUVXJJERH-AEFFLSMTSA-N	0	3	309.413	2.534	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@H](n2ccnc2CC)C1	ZINC000105896938	425969425	/nfs/dbraw/zinc/96/94/25/425969425.db2.gz	NHCYJDVLQJVRQX-INIZCTEOSA-N	0	3	318.465	2.507	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cncn2-c2ccccc2)CC1	ZINC000106039287	425970458	/nfs/dbraw/zinc/97/04/58/425970458.db2.gz	QRPPBSJZYWNUJZ-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(COC)cc2)CC1	ZINC000106040133	425970800	/nfs/dbraw/zinc/97/08/00/425970800.db2.gz	KWMJVVRBYUGYFT-UHFFFAOYSA-N	0	3	302.418	2.603	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2=Cc3ccccc3OC2)CC1	ZINC000106038285	425970953	/nfs/dbraw/zinc/97/09/53/425970953.db2.gz	PWICKECMCLWKGX-UHFFFAOYSA-N	0	3	312.413	2.619	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)CCC(F)(F)F)CC1	ZINC000106274921	425972362	/nfs/dbraw/zinc/97/23/62/425972362.db2.gz	XEQGLSRBQUMCBO-UHFFFAOYSA-N	0	3	307.360	2.621	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2c1CCCC2	ZINC000125576564	425979150	/nfs/dbraw/zinc/97/91/50/425979150.db2.gz	AZVDDPHMNOVCSC-GFCCVEGCSA-N	0	3	319.368	2.596	20	30		DFEDHN
Cc1ccc(C#N)c(NCCCCN2C[C@@H](C)O[C@H](C)C2)n1	ZINC000161789512	426038875	/nfs/dbraw/zinc/03/88/75/426038875.db2.gz	UNXRVPNPTCDZCW-HUUCEWRRSA-N	0	3	302.422	2.563	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCC[S@](=O)C(C)(C)C)cc1	ZINC000127330274	426061787	/nfs/dbraw/zinc/06/17/87/426061787.db2.gz	IHBKXNOAKBYCBP-SPLOXXLWSA-N	0	3	307.459	2.896	20	30		DFEDHN
CCS[C@H]1CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000112089571	426064104	/nfs/dbraw/zinc/06/41/04/426064104.db2.gz	IMOPDSPDWJQZRI-GJZGRUSLSA-N	0	3	311.495	2.602	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](OCCC)CC1	ZINC000108391812	426015031	/nfs/dbraw/zinc/01/50/31/426015031.db2.gz	HTKLBWWMTRLKPA-IRXDYDNUSA-N	0	3	308.466	2.857	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000108645143	426019155	/nfs/dbraw/zinc/01/91/55/426019155.db2.gz	YMYNLEJUGKKGFL-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
CC[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163147990	426090906	/nfs/dbraw/zinc/09/09/06/426090906.db2.gz	CZWMRKRCYIRREW-DOTOQJQBSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000128053947	426098552	/nfs/dbraw/zinc/09/85/52/426098552.db2.gz	JJJUOOLYQFWCNL-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1Cl	ZINC000128226845	426107720	/nfs/dbraw/zinc/10/77/20/426107720.db2.gz	ZPERYOSCXHNPOZ-HNNXBMFYSA-N	0	3	324.852	2.667	20	30		DFEDHN
C#CCOc1ccc(CNC[C@@H](O)c2ccccc2OC)cc1	ZINC000113326143	426112759	/nfs/dbraw/zinc/11/27/59/426112759.db2.gz	AXRRRNZIPYIQKD-GOSISDBHSA-N	0	3	311.381	2.530	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1	ZINC000128421760	426116814	/nfs/dbraw/zinc/11/68/14/426116814.db2.gz	QVCQIOHZUWSMFL-ZBFHGGJFSA-N	0	3	310.401	2.700	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC(C)CC1	ZINC000128548092	426122245	/nfs/dbraw/zinc/12/22/45/426122245.db2.gz	SJWNGIMNJQEMMF-LBPRGKRZSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N(CC)CCC#N	ZINC000128645944	426127349	/nfs/dbraw/zinc/12/73/49/426127349.db2.gz	DKQSAIAGZTVTMR-KRWDZBQOSA-N	0	3	301.434	2.702	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCCSCC1	ZINC000129390475	426138888	/nfs/dbraw/zinc/13/88/88/426138888.db2.gz	BHCHEGBQGGXZDK-MRXNPFEDSA-N	0	3	307.459	2.594	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC(C)CC1	ZINC000077499109	426137227	/nfs/dbraw/zinc/13/72/27/426137227.db2.gz	ONWZQYQVJSMOGJ-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
CC(C)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000075833443	426086803	/nfs/dbraw/zinc/08/68/03/426086803.db2.gz	ROOYWBBUUGPFQA-KRWDZBQOSA-N	0	3	302.418	2.666	20	30		DFEDHN
N#Cc1ccc(CNCc2ccccc2CN2CCCC2=O)cc1	ZINC000079742406	426201427	/nfs/dbraw/zinc/20/14/27/426201427.db2.gz	WOKZLFMEUCHLJD-UHFFFAOYSA-N	0	3	319.408	2.970	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1	ZINC000116940173	426202193	/nfs/dbraw/zinc/20/21/93/426202193.db2.gz	IPWOMDOGPPCMQW-HNNXBMFYSA-N	0	3	301.434	2.699	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CSCC#N)[C@@H]1c1cccs1	ZINC000129965408	426143346	/nfs/dbraw/zinc/14/33/46/426143346.db2.gz	AFCJCZFIUFQHFS-IUODEOHRSA-N	0	3	323.487	2.504	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000114723828	426143654	/nfs/dbraw/zinc/14/36/54/426143654.db2.gz	LEMKNYSRTJHEAI-UHFFFAOYSA-N	0	3	319.361	2.606	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000077711863	426145876	/nfs/dbraw/zinc/14/58/76/426145876.db2.gz	RBPFCRNRJYWCAW-UHFFFAOYSA-N	0	3	322.412	2.619	20	30		DFEDHN
C=CCn1c(SCCN(CC)CC)nnc1-c1cccnc1	ZINC000131181428	426163158	/nfs/dbraw/zinc/16/31/58/426163158.db2.gz	KWOAOKBQHRHNMO-UHFFFAOYSA-N	0	3	317.462	2.960	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000170993801	426163824	/nfs/dbraw/zinc/16/38/24/426163824.db2.gz	JSUQHVFMMRBREC-CYBMUJFWSA-N	0	3	317.437	2.578	20	30		DFEDHN
C=CCNC(=O)CN(CCc1ccc(OC)cc1)CC(C)(C)C	ZINC000115550232	426167348	/nfs/dbraw/zinc/16/73/48/426167348.db2.gz	ZAWFFPAYCHMXEA-UHFFFAOYSA-N	0	3	318.461	2.888	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000132308436	426169045	/nfs/dbraw/zinc/16/90/45/426169045.db2.gz	LPMZORVLWHLRBW-OAHLLOKOSA-N	0	3	320.389	2.765	20	30		DFEDHN
C[C@@H](CC#N)N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000078419948	426169526	/nfs/dbraw/zinc/16/95/26/426169526.db2.gz	YXOSPVIEPVBNGP-HOCLYGCPSA-N	0	3	317.408	2.798	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)CC1	ZINC000172291644	426224925	/nfs/dbraw/zinc/22/49/25/426224925.db2.gz	VPINNBUEYBOBOZ-UHFFFAOYSA-N	0	3	315.392	2.996	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CN2CCOCC2)C1	ZINC000118399557	426235702	/nfs/dbraw/zinc/23/57/02/426235702.db2.gz	QNFYTQZELNRAQF-SJLPKXTDSA-N	0	3	313.445	2.663	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2sccc2C#N)[C@@H]1C	ZINC000118413322	426235747	/nfs/dbraw/zinc/23/57/47/426235747.db2.gz	OGELAZULBGRDMG-GHMZBOCLSA-N	0	3	309.460	2.774	20	30		DFEDHN
CC(C)(CNCc1ccc(C#N)o1)c1ccc2c(c1)OCCO2	ZINC000174323876	426253430	/nfs/dbraw/zinc/25/34/30/426253430.db2.gz	XUNZDAVAUIZRQG-UHFFFAOYSA-N	0	3	312.369	2.990	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(CNCc2ccc(C#N)o2)CC1	ZINC000174329637	426253587	/nfs/dbraw/zinc/25/35/87/426253587.db2.gz	BJMCPRLUHSSXPD-UHFFFAOYSA-N	0	3	319.405	2.888	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000119141099	426265278	/nfs/dbraw/zinc/26/52/78/426265278.db2.gz	JQTMDUDUJNIHPD-ZBFHGGJFSA-N	0	3	322.412	2.669	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cccc(F)c2F)CC1	ZINC000087318150	426269789	/nfs/dbraw/zinc/26/97/89/426269789.db2.gz	XNVDJSXZQXUNHG-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2F)CC1	ZINC000171722197	426207007	/nfs/dbraw/zinc/20/70/07/426207007.db2.gz	KMLLETGFJHUIMX-AWEZNQCLSA-N	0	3	319.424	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OCC)cc2)CC1	ZINC000171736911	426207457	/nfs/dbraw/zinc/20/74/57/426207457.db2.gz	RMBDTQTWHDWWCP-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1	ZINC000171725178	426208243	/nfs/dbraw/zinc/20/82/43/426208243.db2.gz	WTYRQSWPNMXPJC-UHFFFAOYSA-N	0	3	311.429	2.867	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H](n2cncn2)C1	ZINC000135189637	426208765	/nfs/dbraw/zinc/20/87/65/426208765.db2.gz	JTMDLTPXXYVPDM-INIZCTEOSA-N	0	3	309.417	2.916	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccsc1	ZINC000175283611	426295088	/nfs/dbraw/zinc/29/50/88/426295088.db2.gz	BFKBRAHXEFSYSZ-OAHLLOKOSA-N	0	3	316.430	2.761	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000119712364	426300823	/nfs/dbraw/zinc/30/08/23/426300823.db2.gz	CPVIDBDGMIVIRT-BBWFWOEESA-N	0	3	323.481	2.504	20	30		DFEDHN
C#CCCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000119748438	426302045	/nfs/dbraw/zinc/30/20/45/426302045.db2.gz	UACYUTPOUDRXTA-UHFFFAOYSA-N	0	3	311.429	2.642	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1	ZINC000175691935	426321695	/nfs/dbraw/zinc/32/16/95/426321695.db2.gz	NPTGBNJQNLHFDJ-CQSZACIVSA-N	0	3	322.412	2.842	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3ccnn3)cc2)n1	ZINC000089964336	426322292	/nfs/dbraw/zinc/32/22/92/426322292.db2.gz	QFAIHPIVGMGAFD-CYBMUJFWSA-N	0	3	309.354	2.522	20	30		DFEDHN
C=CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCCC1	ZINC000090548931	426327238	/nfs/dbraw/zinc/32/72/38/426327238.db2.gz	YZTDSECFNVPUON-UHFFFAOYSA-N	0	3	319.405	2.825	20	30		DFEDHN
COc1ccccc1[C@H]1CCCN1CCC(=O)N(C)CCC#N	ZINC000092795907	426352149	/nfs/dbraw/zinc/35/21/49/426352149.db2.gz	ATHDRQDLDVSLPA-MRXNPFEDSA-N	0	3	315.417	2.594	20	30		DFEDHN
CCC[C@@H]1CN(CC#Cc2ccc(F)cc2)CCN1CCOC	ZINC000121731543	426352155	/nfs/dbraw/zinc/35/21/55/426352155.db2.gz	DWJGFCKVDUYGHD-LJQANCHMSA-N	0	3	318.436	2.610	20	30		DFEDHN
C=CCc1cc(CN(CCCCO)C2CC2)cc(OC)c1O	ZINC000093383116	426354017	/nfs/dbraw/zinc/35/40/17/426354017.db2.gz	WQGJZZUETAKLMY-UHFFFAOYSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H](C)c2c(C)noc2C)CC1	ZINC000153334658	426380782	/nfs/dbraw/zinc/38/07/82/426380782.db2.gz	LVYHLNWUWNAGMA-ZDUSSCGKSA-N	0	3	319.449	2.942	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000154252104	426432752	/nfs/dbraw/zinc/43/27/52/426432752.db2.gz	QCYSGIRDOCUZCS-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCCOc3ccc(F)cc3)n2c1	ZINC000123510176	426438225	/nfs/dbraw/zinc/43/82/25/426438225.db2.gz	GJZTYLBZQAUXDN-UHFFFAOYSA-N	0	3	324.359	2.904	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000123674778	426447709	/nfs/dbraw/zinc/44/77/09/426447709.db2.gz	CVTSSDAKBJMXKA-KRWDZBQOSA-N	0	3	324.428	2.625	20	30		DFEDHN
CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1CCOC	ZINC000177132370	426446636	/nfs/dbraw/zinc/44/66/36/426446636.db2.gz	WRLPNQYSAPHZMX-GOSISDBHSA-N	0	3	320.864	2.734	20	30		DFEDHN
CN1CCN(Cc2cccc(NCc3ccc(C#N)cc3)c2)CC1	ZINC000123965625	426463710	/nfs/dbraw/zinc/46/37/10/426463710.db2.gz	PPOJTUBPSKUGNL-UHFFFAOYSA-N	0	3	320.440	2.918	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000155446636	426472236	/nfs/dbraw/zinc/47/22/36/426472236.db2.gz	OENYGQHOQLWILK-CRAIPNDOSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000124431040	426483770	/nfs/dbraw/zinc/48/37/70/426483770.db2.gz	OXCZPLLLXXPYOU-HUUCEWRRSA-N	0	3	312.454	2.693	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000280179237	426512546	/nfs/dbraw/zinc/51/25/46/426512546.db2.gz	YCBFNEYUVKDWLB-VDHUWJSZSA-N	0	3	316.445	2.775	20	30		DFEDHN
CC(C)OCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280175355	426513185	/nfs/dbraw/zinc/51/31/85/426513185.db2.gz	XXEQUGJMMHKBGU-KRWDZBQOSA-N	0	3	313.401	2.562	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1	ZINC000272406723	426517129	/nfs/dbraw/zinc/51/71/29/426517129.db2.gz	BMTUXUIUCCWMIN-QGZVFWFLSA-N	0	3	321.380	2.549	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2cc(C#N)ccc2F)CC1	ZINC000186416355	426523096	/nfs/dbraw/zinc/52/30/96/426523096.db2.gz	NAEATSCWEZEEFG-GFCCVEGCSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2cccc(F)c2)CC1	ZINC000264319416	426534211	/nfs/dbraw/zinc/53/42/11/426534211.db2.gz	AGSNGMVQJKBKTF-UHFFFAOYSA-N	0	3	319.424	2.708	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2CC(C)(c3ccccc3)C2)CC1	ZINC000264339417	426538134	/nfs/dbraw/zinc/53/81/34/426538134.db2.gz	XUJWXMGQZIZVML-UHFFFAOYSA-N	0	3	310.441	2.568	20	30		DFEDHN
COc1ccc(CN2CCSC3(CCOCC3)C2)cc1C#N	ZINC000186492996	426538937	/nfs/dbraw/zinc/53/89/37/426538937.db2.gz	DAQNUQLQROSTLO-UHFFFAOYSA-N	0	3	318.442	2.665	20	30		DFEDHN
C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCC[C@@H](C)C1	ZINC000195666914	426541416	/nfs/dbraw/zinc/54/14/16/426541416.db2.gz	BHLYTHYEOQGEHK-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186191925	426492838	/nfs/dbraw/zinc/49/28/38/426492838.db2.gz	GURYDRBHQUGLFO-SFHVURJKSA-N	0	3	313.445	2.995	20	30		DFEDHN
CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186199399	426492909	/nfs/dbraw/zinc/49/29/09/426492909.db2.gz	HRVVWIVPZYKJOO-QGZVFWFLSA-N	0	3	313.445	2.995	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000186206509	426493900	/nfs/dbraw/zinc/49/39/00/426493900.db2.gz	MGCACFGOEJFCMI-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
Cc1ccc(N2CCCN(Cc3ccc(C#N)cc3C)CC2)nn1	ZINC000186206399	426494519	/nfs/dbraw/zinc/49/45/19/426494519.db2.gz	QEHRPDJKOUPQLQ-UHFFFAOYSA-N	0	3	321.428	2.677	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000280115952	426502689	/nfs/dbraw/zinc/50/26/89/426502689.db2.gz	UFMZJBDTSGCYLT-SWLSCSKDSA-N	0	3	324.409	2.617	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288081493	426505103	/nfs/dbraw/zinc/50/51/03/426505103.db2.gz	FYDYCYKMBUACHI-SCLBCKFNSA-N	0	3	323.396	2.853	20	30		DFEDHN
CC(C)OCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280410692	426570812	/nfs/dbraw/zinc/57/08/12/426570812.db2.gz	LLOFKZLEBFWBFP-QGZVFWFLSA-N	0	3	313.401	2.514	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(F)cc1C#N	ZINC000289113872	426585162	/nfs/dbraw/zinc/58/51/62/426585162.db2.gz	QUQWUTFHDUPQJI-SWLSCSKDSA-N	0	3	316.380	2.788	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@@H](CO)c2ccccc2)cc1	ZINC000265223301	426601512	/nfs/dbraw/zinc/60/15/12/426601512.db2.gz	HJQPPEIKEMRUNI-IBGZPJMESA-N	0	3	309.413	2.860	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@](C)(O)CCOC)ccc1OC	ZINC000265259921	426609447	/nfs/dbraw/zinc/60/94/47/426609447.db2.gz	QMZIPXDHVYFWSD-GOSISDBHSA-N	0	3	323.433	2.527	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(C(C)=O)cc2)CC1	ZINC000264464101	426557457	/nfs/dbraw/zinc/55/74/57/426557457.db2.gz	GZGRKPVSDTVPRL-UHFFFAOYSA-N	0	3	314.429	2.588	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000264471296	426559280	/nfs/dbraw/zinc/55/92/80/426559280.db2.gz	IVHVTLVRCLHBES-UHFFFAOYSA-N	0	3	320.349	2.955	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1	ZINC000264479355	426561736	/nfs/dbraw/zinc/56/17/36/426561736.db2.gz	LAFMTADXOMQXOX-IRXDYDNUSA-N	0	3	302.393	2.696	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000280685575	426632818	/nfs/dbraw/zinc/63/28/18/426632818.db2.gz	RBUAGLZTOXSWBX-BBRMVZONSA-N	0	3	323.396	2.853	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000280685584	426632864	/nfs/dbraw/zinc/63/28/64/426632864.db2.gz	RBUAGLZTOXSWBX-XJKSGUPXSA-N	0	3	323.396	2.853	20	30		DFEDHN
C#Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1	ZINC000265434807	426636402	/nfs/dbraw/zinc/63/64/02/426636402.db2.gz	JDLSQWCFILOICT-UHFFFAOYSA-N	0	3	312.413	2.642	20	30		DFEDHN
COCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(C)o1	ZINC000273316422	426641957	/nfs/dbraw/zinc/64/19/57/426641957.db2.gz	QYHZAWDXOACUGE-IAGOWNOFSA-N	0	3	314.385	2.861	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C	ZINC000187298743	426646910	/nfs/dbraw/zinc/64/69/10/426646910.db2.gz	UJUKRBIJMCXQKN-PBHICJAKSA-N	0	3	311.429	2.531	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1(O)CCCCCC1	ZINC000187327003	426650366	/nfs/dbraw/zinc/65/03/66/426650366.db2.gz	LIDSJRXYYYTSQR-MRXNPFEDSA-N	0	3	310.482	2.817	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000280774583	426653692	/nfs/dbraw/zinc/65/36/92/426653692.db2.gz	AQIJLKNBPQVDLO-FZKQIMNGSA-N	0	3	323.396	2.710	20	30		DFEDHN
C=CC[C@@H](CC)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000280879155	426675892	/nfs/dbraw/zinc/67/58/92/426675892.db2.gz	ADYYIBXTSOYGFF-CHWSQXEVSA-N	0	3	311.223	2.920	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187980433	426712606	/nfs/dbraw/zinc/71/26/06/426712606.db2.gz	SLRFYNFKUMIINE-HNNXBMFYSA-N	0	3	311.429	2.580	20	30		DFEDHN
CCOC(=O)CCCCN(CCOC)Cc1ccc(C#N)cc1	ZINC000265803872	426693111	/nfs/dbraw/zinc/69/31/11/426693111.db2.gz	OKZQDKXGKXKZFE-UHFFFAOYSA-N	0	3	318.417	2.740	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290104589	426693255	/nfs/dbraw/zinc/69/32/55/426693255.db2.gz	IFEWMUGILRFMDN-LBPRGKRZSA-N	0	3	304.369	2.503	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2oc(C3CC3)nc2C)CC1	ZINC000273610922	426696823	/nfs/dbraw/zinc/69/68/23/426696823.db2.gz	NTFXXSXGUBEUQU-UHFFFAOYSA-N	0	3	303.406	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)CC1	ZINC000280979972	426698401	/nfs/dbraw/zinc/69/84/01/426698401.db2.gz	MIPMWXACVROBOY-SAABIXHNSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000281053047	426700849	/nfs/dbraw/zinc/70/08/49/426700849.db2.gz	RBOCSIYRYQMTBA-KURKYZTESA-N	0	3	320.477	2.593	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000266726028	426768901	/nfs/dbraw/zinc/76/89/01/426768901.db2.gz	UPUJXRUVRIFTLG-XLWVJDPXSA-N	0	3	315.417	2.678	20	30		DFEDHN
COc1cc(CNCCCN(C)CC(F)(F)F)ccc1C#N	ZINC000281826742	426775066	/nfs/dbraw/zinc/77/50/66/426775066.db2.gz	XJSVAEGZDLXQRJ-UHFFFAOYSA-N	0	3	315.339	2.541	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1	ZINC000188739553	426783670	/nfs/dbraw/zinc/78/36/70/426783670.db2.gz	RWKGTQIBXTVIRD-INIZCTEOSA-N	0	3	318.461	2.528	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)c1	ZINC000274268293	426733062	/nfs/dbraw/zinc/73/30/62/426733062.db2.gz	PZWSFPICFPELOX-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)CCc1nccs1	ZINC000179072490	426746112	/nfs/dbraw/zinc/74/61/12/426746112.db2.gz	IWCIVNWGXCLWRK-UHFFFAOYSA-N	0	3	314.414	2.518	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CO)CCOC)cc1	ZINC000281711700	426750048	/nfs/dbraw/zinc/75/00/48/426750048.db2.gz	TZSIHMBENKXYMF-UKRRQHHQSA-N	0	3	313.825	2.866	20	30		DFEDHN
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cc1	ZINC000179554803	426799359	/nfs/dbraw/zinc/79/93/59/426799359.db2.gz	XDICOBKASKBPHX-UHFFFAOYSA-N	0	3	321.424	2.972	20	30		DFEDHN
N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cc1	ZINC000179554803	426799363	/nfs/dbraw/zinc/79/93/63/426799363.db2.gz	XDICOBKASKBPHX-UHFFFAOYSA-N	0	3	321.424	2.972	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000246302464	426819288	/nfs/dbraw/zinc/81/92/88/426819288.db2.gz	BWPSINFBSGFVEH-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=C(C)[C@@H](N[C@@H]1CCN(CCOC)C1)c1ccc(F)c(F)c1	ZINC000274730415	426825889	/nfs/dbraw/zinc/82/58/89/426825889.db2.gz	BYIIXIOSSDUTLV-RHSMWYFYSA-N	0	3	310.388	2.892	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](COCCOC)C2)c1	ZINC000180009228	426830169	/nfs/dbraw/zinc/83/01/69/426830169.db2.gz	DCZZMOPQIRJUJQ-KRWDZBQOSA-N	0	3	305.418	2.736	20	30		DFEDHN
CCOCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246416580	426830632	/nfs/dbraw/zinc/83/06/32/426830632.db2.gz	RFEGTAXFDGYTRB-CVEARBPZSA-N	0	3	301.434	2.662	20	30		DFEDHN
N#CCC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1	ZINC000246430051	426833650	/nfs/dbraw/zinc/83/36/50/426833650.db2.gz	COEFCYPBOZSSSS-DLBZAZTESA-N	0	3	312.417	2.521	20	30		DFEDHN
COc1cc(CN2CCC[C@H](C3(C)OCCO3)C2)ccc1C#N	ZINC000282143487	426837488	/nfs/dbraw/zinc/83/74/88/426837488.db2.gz	CFUMYOYWXZSUIK-INIZCTEOSA-N	0	3	316.401	2.542	20	30		DFEDHN
Cn1cc(CNCCc2cscn2)c(-c2ccc(C#N)cc2)n1	ZINC000180228189	426843057	/nfs/dbraw/zinc/84/30/57/426843057.db2.gz	DZJBFXHMZIJBOJ-UHFFFAOYSA-N	0	3	323.425	2.748	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C	ZINC000246700976	426855861	/nfs/dbraw/zinc/85/58/61/426855861.db2.gz	DTIALAXTWPOWFS-RYRKJORJSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21	ZINC000246724315	426858672	/nfs/dbraw/zinc/85/86/72/426858672.db2.gz	XUYDGEIGAMCQDU-DOTOQJQBSA-N	0	3	314.429	2.808	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC3(CCC3)[C@H]2C2CC2)cc1	ZINC000290869302	426860216	/nfs/dbraw/zinc/86/02/16/426860216.db2.gz	ZNMXLDPOOXLFNN-FUHWJXTLSA-N	0	3	312.413	2.562	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(C#N)o2)C1	ZINC000180719640	426881274	/nfs/dbraw/zinc/88/12/74/426881274.db2.gz	JRDHAAAIVWWTBC-HZPDHXFCSA-N	0	3	324.380	2.930	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1cccc(F)c1C#N	ZINC000189527471	426881305	/nfs/dbraw/zinc/88/13/05/426881305.db2.gz	RTOAMULOZBWJSS-CYBMUJFWSA-N	0	3	303.381	2.692	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1[C@H](C)CC[C@H]1C	ZINC000247171765	426911888	/nfs/dbraw/zinc/91/18/88/426911888.db2.gz	MXXIECRHTDTREJ-JHJVBQTASA-N	0	3	303.381	2.575	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000275934110	426952167	/nfs/dbraw/zinc/95/21/67/426952167.db2.gz	CUUDEJJRCNVVJB-IEBWSBKVSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(Br)ccc1OC	ZINC000320203361	426962985	/nfs/dbraw/zinc/96/29/85/426962985.db2.gz	DCPSHTAUYOGENO-CYBMUJFWSA-N	0	3	314.223	2.874	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(OC)cc1Br	ZINC000320307277	426965949	/nfs/dbraw/zinc/96/59/49/426965949.db2.gz	UPOZQGPSVKTZKQ-GFCCVEGCSA-N	0	3	314.223	2.874	20	30		DFEDHN
Cc1ccc(N2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)nn1	ZINC000189871312	426968782	/nfs/dbraw/zinc/96/87/82/426968782.db2.gz	QVYVUWKJGYWXLH-INIZCTEOSA-N	0	3	321.428	2.930	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000189876618	426969020	/nfs/dbraw/zinc/96/90/20/426969020.db2.gz	ZOKFGGKMQAMTOB-MRXNPFEDSA-N	0	3	323.444	2.561	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000189871194	426969501	/nfs/dbraw/zinc/96/95/01/426969501.db2.gz	UVFBFAWAJDKQJF-OAHLLOKOSA-N	0	3	307.401	2.622	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN(C2CC2)C1	ZINC000295532932	426995133	/nfs/dbraw/zinc/99/51/33/426995133.db2.gz	JWWBPDQGUHAROG-PPYMECGQSA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1	ZINC000247370282	426932799	/nfs/dbraw/zinc/93/27/99/426932799.db2.gz	PDQVWGSQQJDGHO-RHSMWYFYSA-N	0	3	302.418	2.710	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN([C@@H](C)c2cccc(OC)c2)CC1	ZINC000268570839	427057858	/nfs/dbraw/zinc/05/78/58/427057858.db2.gz	RDGTXRNCCXBMFQ-FUHWJXTLSA-N	0	3	318.461	2.701	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN([C@H](C)c2cccc(OC)c2)CC1	ZINC000268570840	427057909	/nfs/dbraw/zinc/05/79/09/427057909.db2.gz	RDGTXRNCCXBMFQ-SJLPKXTDSA-N	0	3	318.461	2.701	20	30		DFEDHN
C#CCCOc1ccc(CN(C)CCOCCOCC)cc1	ZINC000276161944	426999413	/nfs/dbraw/zinc/99/94/13/426999413.db2.gz	HWVNTMGIFQOUCA-UHFFFAOYSA-N	0	3	305.418	2.574	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)nc2C)CC1	ZINC000268373343	427000579	/nfs/dbraw/zinc/00/05/79/427000579.db2.gz	PLRPXVGAIHBPLA-UHFFFAOYSA-N	0	3	318.421	2.561	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000248452935	427004324	/nfs/dbraw/zinc/00/43/24/427004324.db2.gz	GQWMEUFMVVLMKD-BZUAXINKSA-N	0	3	313.449	2.685	20	30		DFEDHN
COc1ccc(CN2CCCN(c3ccnc(C#N)c3)CC2)cc1	ZINC000283449671	427018824	/nfs/dbraw/zinc/01/88/24/427018824.db2.gz	DNLXTWRCXDJXJZ-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
C=CCc1cc(CN(C)CCOCCOCC)cc(OC)c1O	ZINC000276264063	427020926	/nfs/dbraw/zinc/02/09/26/427020926.db2.gz	XDUSWXUTKDROGR-UHFFFAOYSA-N	0	3	323.433	2.614	20	30		DFEDHN
Cc1nc([C@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n[nH]1	ZINC000268463758	427026894	/nfs/dbraw/zinc/02/68/94/427026894.db2.gz	LFJBMTOKDFGWFS-AWEZNQCLSA-N	0	3	320.400	2.617	20	30		DFEDHN
Cc1n[nH]c([C@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n1	ZINC000268463758	427026899	/nfs/dbraw/zinc/02/68/99/427026899.db2.gz	LFJBMTOKDFGWFS-AWEZNQCLSA-N	0	3	320.400	2.617	20	30		DFEDHN
Cc1nnc([C@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)[nH]1	ZINC000268463758	427026903	/nfs/dbraw/zinc/02/69/03/427026903.db2.gz	LFJBMTOKDFGWFS-AWEZNQCLSA-N	0	3	320.400	2.617	20	30		DFEDHN
CN1CCc2ncnc(Oc3cc(Cl)ccc3C#N)c2C1	ZINC000268470583	427029064	/nfs/dbraw/zinc/02/90/64/427029064.db2.gz	HWPHXDSHVZTJJK-UHFFFAOYSA-N	0	3	300.749	2.782	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C#N	ZINC000291945179	427034918	/nfs/dbraw/zinc/03/49/18/427034918.db2.gz	NBANOIDZFOWTMJ-UHFFFAOYSA-N	0	3	319.412	2.702	20	30		DFEDHN
Cc1nc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ccc1C#N	ZINC000291970478	427044005	/nfs/dbraw/zinc/04/40/05/427044005.db2.gz	OVNUBLUIGJKZON-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1cccs1	ZINC000268538156	427045486	/nfs/dbraw/zinc/04/54/86/427045486.db2.gz	YSOLHBXIHDSSHS-LLVKDONJSA-N	0	3	317.374	2.638	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2	ZINC000329125961	427049349	/nfs/dbraw/zinc/04/93/49/427049349.db2.gz	TYNRVCSFLDWBTN-LBPRGKRZSA-N	0	3	305.378	2.614	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCc2cscn2)CC1	ZINC000283648629	427049835	/nfs/dbraw/zinc/04/98/35/427049835.db2.gz	BBVYLDSEKJNCNB-UHFFFAOYSA-N	0	3	312.442	2.770	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1coc(C2CCOCC2)n1	ZINC000329216893	427068300	/nfs/dbraw/zinc/06/83/00/427068300.db2.gz	PFUDTSUDYAVPKR-AWEZNQCLSA-N	0	3	321.421	2.748	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(C(C)(C)C)nc2C)CC1	ZINC000182407060	427072778	/nfs/dbraw/zinc/07/27/78/427072778.db2.gz	SWPRLSDCPNNKQK-UHFFFAOYSA-N	0	3	318.465	2.717	20	30		DFEDHN
COc1ccc([C@@H](CN(C)C)NCc2cccc(C#N)c2)cc1	ZINC000283804491	427078833	/nfs/dbraw/zinc/07/88/33/427078833.db2.gz	AVRDPNDRYSSBTL-LJQANCHMSA-N	0	3	309.413	2.959	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CCN1C	ZINC000329307191	427087122	/nfs/dbraw/zinc/08/71/22/427087122.db2.gz	YEHSMDKUSPTDAV-QVHKTLOISA-N	0	3	324.469	2.506	20	30		DFEDHN
O=C(Nc1cnc2c(c1)CCCC2)NC1CCN(C2CC2)CC1	ZINC000329311177	427087297	/nfs/dbraw/zinc/08/72/97/427087297.db2.gz	CNYPXDGKEATKKK-UHFFFAOYSA-N	0	3	314.433	2.913	20	30		DFEDHN
CC[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1c(C)noc1C	ZINC000329322740	427090634	/nfs/dbraw/zinc/09/06/34/427090634.db2.gz	JQJDLZSTPPVWPK-NHYWBVRUSA-N	0	3	320.437	2.897	20	30		DFEDHN
C[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C1=CCN(C)CC1	ZINC000329501461	427129176	/nfs/dbraw/zinc/12/91/76/427129176.db2.gz	KNGSPLBUYQUGAS-DZKIICNBSA-N	0	3	310.438	2.568	20	30		DFEDHN
C[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)C1=CCN(C)CC1	ZINC000329501463	427129393	/nfs/dbraw/zinc/12/93/93/427129393.db2.gz	KNGSPLBUYQUGAS-OFQRWUPVSA-N	0	3	310.438	2.568	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H]2C=C[C@H](CO)C2)ccc1OC	ZINC000268801090	427121733	/nfs/dbraw/zinc/12/17/33/427121733.db2.gz	PUXSLUNKTAVLEF-JKSUJKDBSA-N	0	3	303.402	2.677	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CC1CCCC1	ZINC000190486893	427124151	/nfs/dbraw/zinc/12/41/51/427124151.db2.gz	OTXJFCVLCOZNNX-LJQANCHMSA-N	0	3	316.445	2.948	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@H]1CCCc2sccc21	ZINC000329538722	427138479	/nfs/dbraw/zinc/13/84/79/427138479.db2.gz	CDHPBMDHODFXSO-PWSUYJOCSA-N	0	3	316.430	2.910	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1	ZINC000329536600	427138856	/nfs/dbraw/zinc/13/88/56/427138856.db2.gz	BDNRCTJWFFBXHX-OCCSQVGLSA-N	0	3	310.401	2.800	20	30		DFEDHN
C[C@H](NC(=O)c1cccc2ccc(=O)[nH]c21)C1=CCN(C)CC1	ZINC000329572533	427144406	/nfs/dbraw/zinc/14/44/06/427144406.db2.gz	RBDAXEVELUTGBT-LBPRGKRZSA-N	0	3	311.385	2.895	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN(C2CCC2)C1	ZINC000292293464	427161573	/nfs/dbraw/zinc/16/15/73/427161573.db2.gz	HNXXPZPAQYVPBM-SCOAYWHSSA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCC[C@H](C)C1	ZINC000251589679	271266292	/nfs/dbraw/zinc/26/62/92/271266292.db2.gz	BHLYTHYEOQGEHK-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1c(C#N)c(NC[C@H](O)CN2CCCCC2)nc2ccccc12	ZINC000296477544	427192905	/nfs/dbraw/zinc/19/29/05/427192905.db2.gz	KHSNQNMPZHZQSQ-HNNXBMFYSA-N	0	3	324.428	2.674	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CCN2CCC[C@H]2C1	ZINC000253248234	427198103	/nfs/dbraw/zinc/19/81/03/427198103.db2.gz	UGJOTGGQRNZCPM-NSHDSACASA-N	0	3	306.207	2.605	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@@H](C(C)C)C1	ZINC000293132886	427220716	/nfs/dbraw/zinc/22/07/16/427220716.db2.gz	UZBODVIZEGYMKK-GOSISDBHSA-N	0	3	318.417	2.693	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCO1	ZINC000183236090	427230409	/nfs/dbraw/zinc/23/04/09/427230409.db2.gz	UCSDMEOBTBJZJI-HZMBPMFUSA-N	0	3	309.207	2.978	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cnc(C(C)(C)C)nc1	ZINC000330418963	427232373	/nfs/dbraw/zinc/23/23/73/427232373.db2.gz	FPPRDUZUEABBNG-CYBMUJFWSA-N	0	3	319.453	2.974	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)cc1C#N	ZINC000191094832	427254529	/nfs/dbraw/zinc/25/45/29/427254529.db2.gz	WLCZALNRVAMBKC-MRXNPFEDSA-N	0	3	312.392	2.794	20	30		DFEDHN
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@@H]1CCN(C)C1	ZINC000338399773	427302017	/nfs/dbraw/zinc/30/20/17/427302017.db2.gz	MKFKFOFSIDOFRG-GFCCVEGCSA-N	0	3	315.804	2.787	20	30		DFEDHN
CC(C)(C#N)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000330814978	427304927	/nfs/dbraw/zinc/30/49/27/427304927.db2.gz	NDXLRDHVMWBKAA-HNNXBMFYSA-N	0	3	317.408	2.704	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CCCC#N)[C@H]1c1cccs1	ZINC000330878852	427311619	/nfs/dbraw/zinc/31/16/19/427311619.db2.gz	AOMNLAFQENVIPR-BBRMVZONSA-N	0	3	305.447	2.941	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)OCC	ZINC000270035814	427318828	/nfs/dbraw/zinc/31/88/28/427318828.db2.gz	FOWPQJJWPORPOY-IRXDYDNUSA-N	0	3	304.434	2.777	20	30		DFEDHN
CC(C)C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N(C)C	ZINC000285749234	427326087	/nfs/dbraw/zinc/32/60/87/427326087.db2.gz	YQZDDHNREYETMR-CYBMUJFWSA-N	0	3	307.825	2.918	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1C	ZINC000331032279	427327018	/nfs/dbraw/zinc/32/70/18/427327018.db2.gz	UUSAXOPYVAOTOF-CYBMUJFWSA-N	0	3	315.417	2.908	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(OC)CCC(C)CC2)CC1	ZINC000331031984	427327883	/nfs/dbraw/zinc/32/78/83/427327883.db2.gz	UJSUFHSHKAKFRL-UHFFFAOYSA-N	0	3	323.481	2.736	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(N)=O)cc2F)CCN1C	ZINC000331040576	427329782	/nfs/dbraw/zinc/32/97/82/427329782.db2.gz	CGFNSUJLRNGODI-JQWIXIFHSA-N	0	3	322.384	2.669	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285765719	427331403	/nfs/dbraw/zinc/33/14/03/427331403.db2.gz	MVDWSKZIMUTVCH-XJKSGUPXSA-N	0	3	317.820	2.768	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)Nc1cccc(C#N)c1	ZINC000285768402	427333245	/nfs/dbraw/zinc/33/32/45/427333245.db2.gz	RXJAIWMAOFILGD-UHFFFAOYSA-N	0	3	300.406	2.898	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccccc1	ZINC000270368791	427335823	/nfs/dbraw/zinc/33/58/23/427335823.db2.gz	SVUSCJXONPFWBQ-SJLPKXTDSA-N	0	3	313.445	2.734	20	30		DFEDHN
C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1	ZINC000191422558	427345163	/nfs/dbraw/zinc/34/51/63/427345163.db2.gz	MRKSFOGLUYNOCB-QGZVFWFLSA-N	0	3	322.456	2.993	20	30		DFEDHN
C#CCCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1	ZINC000271012264	427372396	/nfs/dbraw/zinc/37/23/96/427372396.db2.gz	HYFSJNBKVTYTDS-UHFFFAOYSA-N	0	3	304.821	2.901	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000297263818	427377673	/nfs/dbraw/zinc/37/76/73/427377673.db2.gz	WENHWRDWRICMCQ-CYBMUJFWSA-N	0	3	303.366	2.538	20	30		DFEDHN
Cn1cc(CNC[C@@](C)(O)c2cccc(Cl)c2)cc1C#N	ZINC000191603307	427388226	/nfs/dbraw/zinc/38/82/26/427388226.db2.gz	AXXRJHQIQAGFMZ-MRXNPFEDSA-N	0	3	303.793	2.547	20	30		DFEDHN
CCOC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)C	ZINC000285971876	427390548	/nfs/dbraw/zinc/39/05/48/427390548.db2.gz	DVABPVHDTJMVIU-OAHLLOKOSA-N	0	3	323.824	2.801	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285977490	427391323	/nfs/dbraw/zinc/39/13/23/427391323.db2.gz	FIQGDRAWTOWJKC-UHFFFAOYSA-N	0	3	317.408	2.528	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCCC1(C)C	ZINC000331298000	427394466	/nfs/dbraw/zinc/39/44/66/427394466.db2.gz	OYILBJTZSMEDTG-HUUCEWRRSA-N	0	3	321.465	2.827	20	30		DFEDHN
COc1ccc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1	ZINC000331309810	427394842	/nfs/dbraw/zinc/39/48/42/427394842.db2.gz	GJMKOLVHDCMCOU-MRXNPFEDSA-N	0	3	319.449	2.819	20	30		DFEDHN
Cc1nsc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1C#N	ZINC000297306599	427394899	/nfs/dbraw/zinc/39/48/99/427394899.db2.gz	BNKHPQLYAPHFNY-NSHDSACASA-N	0	3	321.450	2.517	20	30		DFEDHN
CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[O-]	ZINC000331305115	427395062	/nfs/dbraw/zinc/39/50/62/427395062.db2.gz	ATHIPZUADQOSGE-ZIAGYGMSSA-N	0	3	304.390	2.772	20	30		DFEDHN
C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccn1	ZINC000331298519	427395468	/nfs/dbraw/zinc/39/54/68/427395468.db2.gz	AZLRVAGJBUKEAX-DZGCQCFKSA-N	0	3	304.438	2.767	20	30		DFEDHN
Cc1ncsc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000331335416	427398914	/nfs/dbraw/zinc/39/89/14/427398914.db2.gz	UORCEGDUGOEOCO-CYBMUJFWSA-N	0	3	310.467	2.576	20	30		DFEDHN
COc1cccc(C)c1NC(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000331327218	427399430	/nfs/dbraw/zinc/39/94/30/427399430.db2.gz	QAEZXUFLVNIFCU-INIZCTEOSA-N	0	3	323.462	2.767	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]1c1cccc(C)c1C	ZINC000331342315	427400475	/nfs/dbraw/zinc/40/04/75/427400475.db2.gz	YORAFFPJLLZOEL-HOCLYGCPSA-N	0	3	317.433	2.879	20	30		DFEDHN
COc1ccc(CNC[C@](C)(O)C2CCCCC2)cc1C#N	ZINC000191673870	427404660	/nfs/dbraw/zinc/40/46/60/427404660.db2.gz	MAPPAVNBCJSJBQ-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC#N)CC1	ZINC000331160653	427360083	/nfs/dbraw/zinc/36/00/83/427360083.db2.gz	RGPFFQHGMLUXCF-CQSZACIVSA-N	0	3	300.406	2.629	20	30		DFEDHN
Cc1c(C#N)c(N2CC[C@H](N3CC=CC3)C2)nc2ccccc12	ZINC000297232190	427368838	/nfs/dbraw/zinc/36/88/38/427368838.db2.gz	UDHSORUZLCCDBZ-HNNXBMFYSA-N	0	3	304.397	2.865	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1	ZINC000293857859	427465034	/nfs/dbraw/zinc/46/50/34/427465034.db2.gz	DQEWSNZVEFQAKB-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
CN1CCC[C@@]2(CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)C1	ZINC000338749802	427466813	/nfs/dbraw/zinc/46/68/13/427466813.db2.gz	ODCPTQLDHUWVPW-OAHLLOKOSA-N	0	3	324.350	2.894	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@H](N3CCCC3)[C@H]2C)c1C#N	ZINC000286259185	427473453	/nfs/dbraw/zinc/47/34/53/427473453.db2.gz	CTHKXEPMYYIETP-DOMZBBRYSA-N	0	3	304.825	2.978	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)cc(OC)c2C)CC1	ZINC000278857935	427478703	/nfs/dbraw/zinc/47/87/03/427478703.db2.gz	MUUJRZBKFREHSI-UHFFFAOYSA-N	0	3	300.402	2.596	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000184268289	427427033	/nfs/dbraw/zinc/42/70/33/427427033.db2.gz	BTVLTXDYEHIHDI-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
CCc1c(C)nc2ccccc2c1NCCn1cnc(C#N)n1	ZINC000286310456	427487648	/nfs/dbraw/zinc/48/76/48/427487648.db2.gz	IWIZEMUWKTYJLR-UHFFFAOYSA-N	0	3	306.373	2.681	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N	ZINC000286350359	427499663	/nfs/dbraw/zinc/49/96/63/427499663.db2.gz	XVLUKAVJKZMTMT-ZIAGYGMSSA-N	0	3	321.446	2.970	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCS[C@H](C)CC1	ZINC000192194318	427502159	/nfs/dbraw/zinc/50/21/59/427502159.db2.gz	BZNNHKMCNFXDPB-CYBMUJFWSA-N	0	3	306.431	2.773	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000286367598	427506361	/nfs/dbraw/zinc/50/63/61/427506361.db2.gz	YMZCUPVTHRHVMW-GJZGRUSLSA-N	0	3	303.431	2.761	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1cc(C#N)ccc1[N+](=O)[O-]	ZINC000286440496	427528622	/nfs/dbraw/zinc/52/86/22/427528622.db2.gz	SOFHYCYAHRAQGL-GXTWGEPZSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)CN1C1CC1	ZINC000287470384	427618283	/nfs/dbraw/zinc/61/82/83/427618283.db2.gz	MIOGMNIFWZXZIL-PWSUYJOCSA-N	0	3	303.793	2.567	20	30		DFEDHN
C=CCCC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1	ZINC000263967087	427621496	/nfs/dbraw/zinc/62/14/96/427621496.db2.gz	GVJJGXUCHBMYOW-UHFFFAOYSA-N	0	3	301.434	2.729	20	30		DFEDHN
COc1cc2c(cc1OC)CCN([C@@H]1CC[C@H](C#N)C1)CC2	ZINC000338927099	427564151	/nfs/dbraw/zinc/56/41/51/427564151.db2.gz	WIOMYRBTBKGBJR-XJKSGUPXSA-N	0	3	300.402	2.797	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN1CCCN(C)CC1	ZINC000263805713	427579460	/nfs/dbraw/zinc/57/94/60/427579460.db2.gz	VXEBXYUHTHSJLH-UHFFFAOYSA-N	0	3	319.474	2.541	20	30		DFEDHN
COc1cccc(N2CC[C@@H](NCc3ccc(C#N)cc3)C2)c1	ZINC000264021016	427636268	/nfs/dbraw/zinc/63/62/68/427636268.db2.gz	WOUQZCCPGKTPDJ-QGZVFWFLSA-N	0	3	307.397	2.935	20	30		DFEDHN
CCC1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000294374672	427640369	/nfs/dbraw/zinc/64/03/69/427640369.db2.gz	HKAMGAAVROEDPB-UHFFFAOYSA-N	0	3	306.431	2.644	20	30		DFEDHN
COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc(C#N)cc2)cc1	ZINC000342627297	272033025	/nfs/dbraw/zinc/03/30/25/272033025.db2.gz	OZUAJYDNJWTUSO-GOSISDBHSA-N	0	3	323.396	2.600	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NC(=O)c2ccc(C#N)cc2)cc1	ZINC000342627298	272033126	/nfs/dbraw/zinc/03/31/26/272033126.db2.gz	OZUAJYDNJWTUSO-SFHVURJKSA-N	0	3	323.396	2.600	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@H]1NCc1cccc(C#N)c1	ZINC000343394340	272135480	/nfs/dbraw/zinc/13/54/80/272135480.db2.gz	RNLVIWLSSXKVLR-AEFFLSMTSA-N	0	3	310.401	2.955	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(O)(Cc3cccc(F)c3)CC2)C1	ZINC000339096121	427674294	/nfs/dbraw/zinc/67/42/94/427674294.db2.gz	IRXOBGJAOXQBNJ-DOTOQJQBSA-N	0	3	302.393	2.887	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(O)(Cc3cccc(F)c3)CC2)C1	ZINC000339096127	427674999	/nfs/dbraw/zinc/67/49/99/427674999.db2.gz	IRXOBGJAOXQBNJ-NVXWUHKLSA-N	0	3	302.393	2.887	20	30		DFEDHN
CC(=O)Nc1ccc(CCNCc2ccc(C#N)cc2F)cc1	ZINC000344246749	272296531	/nfs/dbraw/zinc/29/65/31/272296531.db2.gz	BQHKKXHBDNCWDO-UHFFFAOYSA-N	0	3	311.360	2.988	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCOCC2	ZINC000185660177	427686138	/nfs/dbraw/zinc/68/61/38/427686138.db2.gz	FFHGQNLPGWPEKR-HUUCEWRRSA-N	0	3	306.431	2.684	20	30		DFEDHN
C=CCOCCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000339124330	427687933	/nfs/dbraw/zinc/68/79/33/427687933.db2.gz	VHQOIQHUJPVLNN-CRAIPNDOSA-N	0	3	317.433	2.578	20	30		DFEDHN
N#CCCOCCN1CCC[C@H](OCc2ccccc2F)C1	ZINC000339139730	427699875	/nfs/dbraw/zinc/69/98/75/427699875.db2.gz	ITMBXEIQXGHZBP-INIZCTEOSA-N	0	3	306.381	2.737	20	30		DFEDHN
C[C@H](c1ccccc1)N(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000298799284	427707859	/nfs/dbraw/zinc/70/78/59/427707859.db2.gz	KDBLLUQYQOEFQV-CRAIPNDOSA-N	0	3	310.397	2.991	20	30		DFEDHN
C#CC[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000272322380	427707883	/nfs/dbraw/zinc/70/78/83/427707883.db2.gz	ZELDCLAVSTVIJY-ZACQAIPSSA-N	0	3	305.443	2.696	20	30		DFEDHN
C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000295147748	427711498	/nfs/dbraw/zinc/71/14/98/427711498.db2.gz	CUYBMVMKRNOSON-IINYFYTJSA-N	0	3	321.808	2.696	20	30		DFEDHN
C[C@@H](CCc1ccco1)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279684105	427715774	/nfs/dbraw/zinc/71/57/74/427715774.db2.gz	HEJYZTOYEGNHRP-YOEHRIQHSA-N	0	3	321.380	2.971	20	30		DFEDHN
Cc1ccccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279725491	427718476	/nfs/dbraw/zinc/71/84/76/427718476.db2.gz	NAPLRKWNPHELBU-IBGZPJMESA-N	0	3	317.392	2.908	20	30		DFEDHN
CCNC(=O)[C@H](NCc1ccccc1C(C)(C)C#N)C(C)C	ZINC000339327923	427755767	/nfs/dbraw/zinc/75/57/67/427755767.db2.gz	DTALWLNEEGJJNE-MRXNPFEDSA-N	0	3	301.434	2.738	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1	ZINC000299147180	427756143	/nfs/dbraw/zinc/75/61/43/427756143.db2.gz	KTLGHADPPCIEAL-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000336854224	427760463	/nfs/dbraw/zinc/76/04/63/427760463.db2.gz	NBHSCYYLGVNYGT-SWLSCSKDSA-N	0	3	300.362	2.529	20	30		DFEDHN
COC(C)(C)CCN1CCN(c2ccc(C#N)cc2F)CC1	ZINC000336863166	427765457	/nfs/dbraw/zinc/76/54/57/427765457.db2.gz	NJGBUFQNGOKCOX-UHFFFAOYSA-N	0	3	305.397	2.634	20	30		DFEDHN
CC1(C)CCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000299352447	427765519	/nfs/dbraw/zinc/76/55/19/427765519.db2.gz	PGVLCCAWBYRKSN-OLZOCXBDSA-N	0	3	303.431	2.893	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000301058532	427772456	/nfs/dbraw/zinc/77/24/56/427772456.db2.gz	BCEOHYGINDMHEN-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccccc1C	ZINC000339495732	427784082	/nfs/dbraw/zinc/78/40/82/427784082.db2.gz	NNJMLZNTSTXNTL-CQSZACIVSA-N	0	3	301.434	2.828	20	30		DFEDHN
Cc1nc(N[C@H]2CCCN(Cc3ccccc3)C2)ccc1C#N	ZINC000336702551	427749233	/nfs/dbraw/zinc/74/92/33/427749233.db2.gz	FEKOEULKZKCUIP-SFHVURJKSA-N	0	3	306.413	3.338	20	30		DFEDHN
Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1C#N	ZINC000336722379	427750861	/nfs/dbraw/zinc/75/08/61/427750861.db2.gz	VUNKWBIBJLRMOI-YJBOKZPZSA-N	0	3	306.413	3.337	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)cc1	ZINC000299130379	427753659	/nfs/dbraw/zinc/75/36/59/427753659.db2.gz	ICOOFPJJWOFRAY-KGLIPLIRSA-N	0	3	300.406	2.800	20	30		DFEDHN
CC(C)CN(CCN1CCOC[C@@H]1C)Cc1ccc(C#N)cc1	ZINC000337147891	427805540	/nfs/dbraw/zinc/80/55/40/427805540.db2.gz	ZNJPPGIKJNONNS-KRWDZBQOSA-N	0	3	315.461	2.737	20	30		DFEDHN
COc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)cc1C#N	ZINC000339702185	427814904	/nfs/dbraw/zinc/81/49/04/427814904.db2.gz	UDVYINPVYBHVDI-GOSISDBHSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2coc3cc(F)ccc23)CC1	ZINC000355660377	427836704	/nfs/dbraw/zinc/83/67/04/427836704.db2.gz	NIUYLZCQUUGHQM-UHFFFAOYSA-N	0	3	302.349	2.952	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3[nH]ccc3s2)CC1	ZINC000355680251	427845745	/nfs/dbraw/zinc/84/57/45/427845745.db2.gz	WYKSCOGZFWDQPL-UHFFFAOYSA-N	0	3	303.431	3.000	20	30		DFEDHN
CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@@H]1c1ccccc1	ZINC000302716871	427856207	/nfs/dbraw/zinc/85/62/07/427856207.db2.gz	JWKABXRSLMOVPE-DYVFJYSZSA-N	0	3	323.356	2.719	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1	ZINC000349867870	427886180	/nfs/dbraw/zinc/88/61/80/427886180.db2.gz	KYQSAVOPQGIZMG-INIZCTEOSA-N	0	3	316.449	2.918	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H](c2cccs2)N2CCCC2)n1	ZINC000339974250	427892087	/nfs/dbraw/zinc/89/20/87/427892087.db2.gz	UXRNHJNYYBFRTG-HNNXBMFYSA-N	0	3	312.442	3.572	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000303973611	427906553	/nfs/dbraw/zinc/90/65/53/427906553.db2.gz	HOKBEFDWASDFDY-MRXNPFEDSA-N	0	3	307.401	2.733	20	30		DFEDHN
CN1CCN(CCOc2cccc(C#N)c2)Cc2ccccc21	ZINC000340654576	427917841	/nfs/dbraw/zinc/91/78/41/427917841.db2.gz	WWCZCRJBKQXSJD-UHFFFAOYSA-N	0	3	307.397	2.889	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)NCC1(CC#N)CC1)c1ccco1	ZINC000355855028	427922556	/nfs/dbraw/zinc/92/25/56/427922556.db2.gz	IDPXHTSPZQCMTC-UONOGXRCSA-N	0	3	318.421	2.702	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000350706846	427967603	/nfs/dbraw/zinc/96/76/03/427967603.db2.gz	GPCHASRMBAAIDS-INIZCTEOSA-N	0	3	317.481	2.726	20	30		DFEDHN
N#Cc1ccc(CN2CCC(CO)(Nc3ccccc3)CC2)cc1	ZINC000369513236	427985786	/nfs/dbraw/zinc/98/57/86/427985786.db2.gz	XNTIYHNVEMLNHG-UHFFFAOYSA-N	0	3	321.424	2.997	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)CNc2ccc(C#N)cc2)c1	ZINC000340332758	427988991	/nfs/dbraw/zinc/98/89/91/427988991.db2.gz	IIYBIVRZEQYXLA-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(C)C	ZINC000337505042	427936998	/nfs/dbraw/zinc/93/69/98/427936998.db2.gz	OEAUSWWKWFQAPA-YYIAUSFCSA-N	0	3	308.466	2.615	20	30		DFEDHN
COc1ccc(CN2CCC(Cn3cc(C)cn3)CC2)cc1C#N	ZINC000340146067	427937252	/nfs/dbraw/zinc/93/72/52/427937252.db2.gz	LGXGKCPWVYRCKG-UHFFFAOYSA-N	0	3	324.428	2.984	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCCC2)C[C@H]1c1ccccc1	ZINC000355895535	427940220	/nfs/dbraw/zinc/94/02/20/427940220.db2.gz	VWAQXSXMYWFPCA-CEXWTWQISA-N	0	3	323.440	2.627	20	30		DFEDHN
COCCn1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1	ZINC000337535370	427946594	/nfs/dbraw/zinc/94/65/94/427946594.db2.gz	FXUQEGTZGFPRKY-IBGZPJMESA-N	0	3	324.428	2.958	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1	ZINC000345917373	427949632	/nfs/dbraw/zinc/94/96/32/427949632.db2.gz	PWRBZNBIGLESSO-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(C)nn(Cc2ccccc2)c1C	ZINC000341326448	428033515	/nfs/dbraw/zinc/03/35/15/428033515.db2.gz	XEVJSJBEUPKRAY-SFHVURJKSA-N	0	3	313.445	2.822	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(OC)c(OC)cc1SC	ZINC000341320702	428034483	/nfs/dbraw/zinc/03/44/83/428034483.db2.gz	ZVNZGOVZOVZMPA-GFCCVEGCSA-N	0	3	311.447	2.700	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000369709840	428042089	/nfs/dbraw/zinc/04/20/89/428042089.db2.gz	UFRUDPQAHVCKOM-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000369554663	427998704	/nfs/dbraw/zinc/99/87/04/427998704.db2.gz	SLFPWPTTYWUKLN-DGCLKSJQSA-N	0	3	313.854	2.793	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1	ZINC000369590887	428009120	/nfs/dbraw/zinc/00/91/20/428009120.db2.gz	HSEMTXIUOMZPJJ-HOTGVXAUSA-N	0	3	316.470	2.764	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)n(C)c2)C1	ZINC000359771762	428012945	/nfs/dbraw/zinc/01/29/45/428012945.db2.gz	VQFRZULZGFIZAI-QAPCUYQASA-N	0	3	308.429	2.822	20	30		DFEDHN
Cc1ccc(F)c(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1	ZINC000359916623	428075008	/nfs/dbraw/zinc/07/50/08/428075008.db2.gz	IKBBXVXYAWWNDE-LLVKDONJSA-N	0	3	314.276	2.683	20	30		DFEDHN
N#CC(C(=O)Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359926136	428078235	/nfs/dbraw/zinc/07/82/35/428078235.db2.gz	UQBYDSMYLGVQOX-LBPRGKRZSA-N	0	3	318.239	2.514	20	30		DFEDHN
COc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1C#N	ZINC000369947644	428096013	/nfs/dbraw/zinc/09/60/13/428096013.db2.gz	HFRZQFKHWUPJSA-MRXNPFEDSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCC[C@@H](C)C1	ZINC000360006793	428112338	/nfs/dbraw/zinc/11/23/38/428112338.db2.gz	NMEHRJZQEMESHP-OAGGEKHMSA-N	0	3	313.445	2.898	20	30		DFEDHN
Cc1ccn(C2CCN(CCOc3ccccc3C#N)CC2)n1	ZINC000370030581	428115160	/nfs/dbraw/zinc/11/51/60/428115160.db2.gz	KOHXCRDBFQTBCW-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1OC	ZINC000346326461	428128580	/nfs/dbraw/zinc/12/85/80/428128580.db2.gz	IABXTCNFEZBPRJ-BBWFWOEESA-N	0	3	317.429	2.853	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1Cl)Cc1ccccc1	ZINC000341398485	428063236	/nfs/dbraw/zinc/06/32/36/428063236.db2.gz	JRGKJXFKHBGAMR-HNNXBMFYSA-N	0	3	314.820	3.191	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000370102744	428134588	/nfs/dbraw/zinc/13/45/88/428134588.db2.gz	OVIBJEGCHSZXOM-HRCADAONSA-N	0	3	324.465	2.645	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC12CCOCC2)C(C)C	ZINC000370155628	428146021	/nfs/dbraw/zinc/14/60/21/428146021.db2.gz	HYFKWEGLZDKQAY-DLBZAZTESA-N	0	3	320.477	2.618	20	30		DFEDHN
C[C@H]1COCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000370180880	428151694	/nfs/dbraw/zinc/15/16/94/428151694.db2.gz	DSFQPZKYNKXYLH-MRXNPFEDSA-N	0	3	324.428	2.932	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000346407025	428159227	/nfs/dbraw/zinc/15/92/27/428159227.db2.gz	GUKZAPCHNMXVHK-ATLSCFEFSA-N	0	3	311.429	2.625	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1	ZINC000346416919	428162731	/nfs/dbraw/zinc/16/27/31/428162731.db2.gz	SQEKIOGXWFKCOA-RCCFBDPRSA-N	0	3	311.429	2.627	20	30		DFEDHN
COC1([C@H](C)NC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000413978698	428177462	/nfs/dbraw/zinc/17/74/62/428177462.db2.gz	WOBABKPETRFNJA-HOCLYGCPSA-N	0	3	300.402	2.833	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000370459445	428214960	/nfs/dbraw/zinc/21/49/60/428214960.db2.gz	FLFACFVXGRDKOE-MRXNPFEDSA-N	0	3	323.396	2.806	20	30		DFEDHN
C[C@H](NCC(C)(C)CC#N)c1ccc(NS(C)(=O)=O)cc1	ZINC000414162156	428222834	/nfs/dbraw/zinc/22/28/34/428222834.db2.gz	GNZDVGQDIRFNPP-LBPRGKRZSA-N	0	3	309.435	2.649	20	30		DFEDHN
C[C@H](NCC(C)(C)CC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000414173982	428225314	/nfs/dbraw/zinc/22/53/14/428225314.db2.gz	XOLXUXUUCUJQHC-LBPRGKRZSA-N	0	3	309.435	2.649	20	30		DFEDHN
CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCN(C2CC2)C1	ZINC000360278090	428232926	/nfs/dbraw/zinc/23/29/26/428232926.db2.gz	GXNZXEBBMHGAPJ-LBPRGKRZSA-N	0	3	310.323	2.645	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCc3ccc(C)cc32)CC1	ZINC000179594340	273478637	/nfs/dbraw/zinc/47/86/37/273478637.db2.gz	FGIAENQIBXQZHQ-IBGZPJMESA-N	0	3	310.441	2.834	20	30		DFEDHN
CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(OC)cc1	ZINC000346514577	428202961	/nfs/dbraw/zinc/20/29/61/428202961.db2.gz	BKMZDPIASWICTQ-CZUORRHYSA-N	0	3	315.417	2.687	20	30		DFEDHN
COCC1(C#N)CCN(CCCCC(=O)OC(C)(C)C)CC1	ZINC000341978650	428267628	/nfs/dbraw/zinc/26/76/28/428267628.db2.gz	NYLGWIWARCLEGD-UHFFFAOYSA-N	0	3	310.438	2.751	20	30		DFEDHN
CSC[C@H](CCO)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352836502	428274830	/nfs/dbraw/zinc/27/48/30/428274830.db2.gz	MCTWEYYVVQUBQQ-LBPRGKRZSA-N	0	3	318.364	2.781	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3c(cccc3F)n2C)CC1	ZINC000352848023	428278319	/nfs/dbraw/zinc/27/83/19/428278319.db2.gz	HXORMSQYALZRHS-UHFFFAOYSA-N	0	3	302.397	3.165	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CC[C@H](Cc4ccncc4)C3)n2c1	ZINC000370721360	428284735	/nfs/dbraw/zinc/28/47/35/428284735.db2.gz	PWEFHFBBEHMATC-MRXNPFEDSA-N	0	3	317.396	2.666	20	30		DFEDHN
C[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000360472428	428312319	/nfs/dbraw/zinc/31/23/19/428312319.db2.gz	GGTUFIHXSJBAQZ-WMLDXEAASA-N	0	3	313.445	2.898	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(Cc3ccccn3)CC2)cc1	ZINC000378147587	428321895	/nfs/dbraw/zinc/32/18/95/428321895.db2.gz	GGACAJMNLGBXNY-HXUWFJFHSA-N	0	3	321.424	2.941	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1	ZINC000347002483	428401923	/nfs/dbraw/zinc/40/19/23/428401923.db2.gz	CVNZAYGVPGQVBO-INIZCTEOSA-N	0	3	300.402	2.560	20	30		DFEDHN
N#Cc1ncn(CCNCc2cccc(Oc3ccccc3)c2)n1	ZINC000353051602	428368329	/nfs/dbraw/zinc/36/83/29/428368329.db2.gz	ZJRSWHXGSIICSK-UHFFFAOYSA-N	0	3	319.368	2.732	20	30		DFEDHN
C[C@H](NCC1CCN(c2ccccc2C#N)CC1)c1cnccn1	ZINC000378397325	428386257	/nfs/dbraw/zinc/38/62/57/428386257.db2.gz	CXTPSSDTRLUTGI-HNNXBMFYSA-N	0	3	321.428	2.915	20	30		DFEDHN
CC(C#N)C(=O)NCCCc1ccc(Br)cc1F	ZINC000347079211	428437024	/nfs/dbraw/zinc/43/70/24/428437024.db2.gz	HPMIJYCHKIQGDZ-VIFPVBQESA-N	0	3	313.170	2.797	20	30		DFEDHN
CC(C)C[C@]1(CO)CCCN1Cc1cnc2ccc(C#N)cn12	ZINC000342703591	428440896	/nfs/dbraw/zinc/44/08/96/428440896.db2.gz	IUXFKDGQNOOCID-SFHVURJKSA-N	0	3	312.417	2.579	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000342734330	428441743	/nfs/dbraw/zinc/44/17/43/428441743.db2.gz	JSGVBEKEKFFMAO-ZIAGYGMSSA-N	0	3	318.417	2.531	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000342828858	428465055	/nfs/dbraw/zinc/46/50/55/428465055.db2.gz	BSFYIDUEWJNHCL-KRWDZBQOSA-N	0	3	308.466	2.836	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000347036542	428418306	/nfs/dbraw/zinc/41/83/06/428418306.db2.gz	MJRYGZQMMQLGPH-VHSXEESVSA-N	0	3	300.280	2.965	20	30		DFEDHN
COc1ccc(Br)cc1CN(C)C(=O)C(C)C#N	ZINC000347043893	428422439	/nfs/dbraw/zinc/42/24/39/428422439.db2.gz	FRYPBZSSVCGVGD-VIFPVBQESA-N	0	3	311.179	2.576	20	30		DFEDHN
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C(C)C#N)cc1	ZINC000347050640	428424924	/nfs/dbraw/zinc/42/49/24/428424924.db2.gz	ONHALYINZSBRFC-ZFWWWQNUSA-N	0	3	302.374	2.654	20	30		DFEDHN
CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1	ZINC000347070460	428431665	/nfs/dbraw/zinc/43/16/65/428431665.db2.gz	NUVBNFPNTOMPFO-CHWSQXEVSA-N	0	3	316.405	2.897	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CC(C)(C)CC(=O)OCC)CC1	ZINC000353318202	428482641	/nfs/dbraw/zinc/48/26/41/428482641.db2.gz	XXEWGIQWFKYFAG-UHFFFAOYSA-N	0	3	324.465	2.513	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(C#N)c1	ZINC000370916470	273810643	/nfs/dbraw/zinc/81/06/43/273810643.db2.gz	HWHILVVDPJYMND-RTBURBONSA-N	0	3	319.408	2.906	20	30		DFEDHN
C=CCOCCCC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000360930799	428496961	/nfs/dbraw/zinc/49/69/61/428496961.db2.gz	YDKNJOSOBLTJBE-UHFFFAOYSA-N	0	3	322.474	2.812	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@H](C)C#N)C1(CC)CC	ZINC000360948750	428502833	/nfs/dbraw/zinc/50/28/33/428502833.db2.gz	VTWATPKIHMGTJM-OWCLPIDISA-N	0	3	323.481	2.568	20	30		DFEDHN
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCC(C)(C)C#N)C1	ZINC000373110561	428518074	/nfs/dbraw/zinc/51/80/74/428518074.db2.gz	DKCZCLBAAULJKZ-AWEZNQCLSA-N	0	3	317.437	2.877	20	30		DFEDHN
COCCn1ncc2c1[C@H](N[C@H]1CCC[C@H](C#N)C1)CCC2	ZINC000373204427	428524440	/nfs/dbraw/zinc/52/44/40/428524440.db2.gz	IAAVHTILKDGXEK-CWRNSKLLSA-N	0	3	302.422	2.579	20	30		DFEDHN
Cc1nc(C2CCN(CC#Cc3cccc(Cl)c3)CC2)n[nH]1	ZINC000360875429	428474020	/nfs/dbraw/zinc/47/40/20/428474020.db2.gz	WRQSGRDZUYSZHB-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1n[nH]c(C2CCN(CC#Cc3cccc(Cl)c3)CC2)n1	ZINC000360875429	428474024	/nfs/dbraw/zinc/47/40/24/428474024.db2.gz	WRQSGRDZUYSZHB-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1nnc(C2CCN(CC#Cc3cccc(Cl)c3)CC2)[nH]1	ZINC000360875429	428474029	/nfs/dbraw/zinc/47/40/29/428474029.db2.gz	WRQSGRDZUYSZHB-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
C=CCN(C(=O)CCOCC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372602834	428474427	/nfs/dbraw/zinc/47/44/27/428474427.db2.gz	WYHOKWFLAUPLES-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCN(C(=O)c1cccn1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372599098	428475218	/nfs/dbraw/zinc/47/52/18/428475218.db2.gz	IGQKZQMILSIHOU-SFHVURJKSA-N	0	3	323.440	2.928	20	30		DFEDHN
C=CCN1CCC(NCc2cc(C(=O)OC)ccc2Cl)CC1	ZINC000361024397	428530784	/nfs/dbraw/zinc/53/07/84/428530784.db2.gz	XUDQRMQLGQBVBO-UHFFFAOYSA-N	0	3	322.836	2.867	20	30		DFEDHN
C=CCc1cc(CNCCN2CC=C(C)CC2)cc(OC)c1O	ZINC000358147395	428583300	/nfs/dbraw/zinc/58/33/00/428583300.db2.gz	XTGQTSXSCLHOGH-UHFFFAOYSA-N	0	3	316.445	2.871	20	30		DFEDHN
CC1(C)CN(Cc2ccc(CC#N)cc2)C[C@@]2(CCCOC2)O1	ZINC000361610613	428583862	/nfs/dbraw/zinc/58/38/62/428583862.db2.gz	NHIRUNYXIYFEJZ-LJQANCHMSA-N	0	3	314.429	2.913	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1OC	ZINC000361156285	428541265	/nfs/dbraw/zinc/54/12/65/428541265.db2.gz	XEAPDLWLHUXRLP-GJZGRUSLSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@]1(C)CCCOC1)C(C)C	ZINC000357569902	428548622	/nfs/dbraw/zinc/54/86/22/428548622.db2.gz	MDADLLSEDLGBDU-SJLPKXTDSA-N	0	3	323.481	2.553	20	30		DFEDHN
Cc1ccnc(NCCc2ccc(OCCN(C)C)cc2)c1C#N	ZINC000343471117	428548739	/nfs/dbraw/zinc/54/87/39/428548739.db2.gz	DMENPVCEFLQDFH-UHFFFAOYSA-N	0	3	324.428	2.857	20	30		DFEDHN
OCC1(NCC#Cc2cccc(Cl)c2)Cc2ccccc2C1	ZINC000361279309	428552687	/nfs/dbraw/zinc/55/26/87/428552687.db2.gz	WIQZXOOSWFIPCS-UHFFFAOYSA-N	0	3	311.812	2.811	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1OC	ZINC000353475444	428554869	/nfs/dbraw/zinc/55/48/69/428554869.db2.gz	WMJTZMLPLRTKEF-UHFFFAOYSA-N	0	3	316.445	2.930	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000361371474	428560125	/nfs/dbraw/zinc/56/01/25/428560125.db2.gz	GWFGMPIABPQVBF-HNNXBMFYSA-N	0	3	319.474	2.673	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000361357902	428560239	/nfs/dbraw/zinc/56/02/39/428560239.db2.gz	ZRAJIFRZUSMSKG-FUHWJXTLSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCN(Cc1ccn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000353495251	428563643	/nfs/dbraw/zinc/56/36/43/428563643.db2.gz	HRLNQRHPSSRUHT-HNNXBMFYSA-N	0	3	322.416	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(OC)CC2)CC1	ZINC000373388937	428564010	/nfs/dbraw/zinc/56/40/10/428564010.db2.gz	BQGRSDAPORZLOV-GOSISDBHSA-N	0	3	323.481	2.628	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000357823808	428564649	/nfs/dbraw/zinc/56/46/49/428564649.db2.gz	ISNRNGIOSCTKIM-CXAGYDPISA-N	0	3	318.380	2.939	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000361472627	428570040	/nfs/dbraw/zinc/57/00/40/428570040.db2.gz	ZSFFQCMXJDQOIF-GOEBONIOSA-N	0	3	319.474	2.844	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C#N)nc1)N(C)C	ZINC000357876084	428571119	/nfs/dbraw/zinc/57/11/19/428571119.db2.gz	SJDPMMFYYDGPLC-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(C)(C3CC3)CC2)CC1	ZINC000357957400	428572757	/nfs/dbraw/zinc/57/27/57/428572757.db2.gz	LJCPEEVDQGJBPT-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
N#CC(C(=O)c1ccc(C(N)=O)cc1)c1nccc2ccccc21	ZINC000361525026	428574205	/nfs/dbraw/zinc/57/42/05/428574205.db2.gz	MNXJLDSWQQDXEI-MRXNPFEDSA-N	0	3	315.332	2.824	20	30		DFEDHN
CC(C)CN1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000361831504	428599109	/nfs/dbraw/zinc/59/91/09/428599109.db2.gz	RNFRKVSLPDDODC-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
COc1cc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)ccn1	ZINC000347569324	428607024	/nfs/dbraw/zinc/60/70/24/428607024.db2.gz	WDTUPHYGXSLYJX-CYBMUJFWSA-N	0	3	324.384	2.641	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358636059	428614528	/nfs/dbraw/zinc/61/45/28/428614528.db2.gz	PQHOTVHKXHACRC-WMLDXEAASA-N	0	3	319.449	2.950	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OCC)C12CCCC2	ZINC000347680508	428621106	/nfs/dbraw/zinc/62/11/06/428621106.db2.gz	AZPIUQZGISPYMZ-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCO[C@H]1CCCCO1	ZINC000344101503	428624215	/nfs/dbraw/zinc/62/42/15/428624215.db2.gz	FBRAAOJHGTXEGZ-SFHVURJKSA-N	0	3	318.417	2.550	20	30		DFEDHN
N#Cc1csc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c1	ZINC000344338667	428630230	/nfs/dbraw/zinc/63/02/30/428630230.db2.gz	GEOKZDAUWVPQPB-LSDHHAIUSA-N	0	3	322.380	2.947	20	30		DFEDHN
C[C@@H](NCc1cccc(C#N)c1)c1cccc(-n2ccnn2)c1	ZINC000348114979	428637961	/nfs/dbraw/zinc/63/79/61/428637961.db2.gz	YNTBKQVBIMGKDM-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CC#CCCNCc1cc(OC)c(OCC(F)F)c(OC)c1	ZINC000348133036	428637993	/nfs/dbraw/zinc/63/79/93/428637993.db2.gz	JLGXAPAPFBMNKK-UHFFFAOYSA-N	0	3	313.344	2.851	20	30		DFEDHN
C=CCOCCCN1CCCC[C@H]1c1ccc(C(=O)NC)n1C	ZINC000348082619	428639316	/nfs/dbraw/zinc/63/93/16/428639316.db2.gz	JPTSWABVQHEUEP-INIZCTEOSA-N	0	3	319.449	2.504	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H]([C@H](C)CC)C1=O)C(C)C	ZINC000348139208	428641170	/nfs/dbraw/zinc/64/11/70/428641170.db2.gz	BOMXJWDAOSDBGC-BZUAXINKSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=CCOCCCN(CC)[C@H]1CCN(c2ccccc2)C1=O	ZINC000348057240	428634979	/nfs/dbraw/zinc/63/49/79/428634979.db2.gz	SVPUSBPMJFMZIJ-KRWDZBQOSA-N	0	3	302.418	2.707	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C#N)s2)o1	ZINC000348193635	428650059	/nfs/dbraw/zinc/65/00/59/428650059.db2.gz	NMEZOMBLLKLYMY-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000348178497	428644451	/nfs/dbraw/zinc/64/44/51/428644451.db2.gz	DWWJSXZJWGIYFA-MRXNPFEDSA-N	0	3	300.446	2.940	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000348184727	428646664	/nfs/dbraw/zinc/64/66/64/428646664.db2.gz	MRSBWTAEFIIYIE-MRXNPFEDSA-N	0	3	316.445	2.777	20	30		DFEDHN
C#CCCCC(=O)NCC1CCN(Cc2ccccc2F)CC1	ZINC000373780978	428647838	/nfs/dbraw/zinc/64/78/38/428647838.db2.gz	OXDZNRHHAURDGM-UHFFFAOYSA-N	0	3	316.420	2.957	20	30		DFEDHN
CCOC(=O)C1(COC)CCN(CCCC(C)(C)C#N)CC1	ZINC000373808214	428648592	/nfs/dbraw/zinc/64/85/92/428648592.db2.gz	YEUKYOFILFSXBB-UHFFFAOYSA-N	0	3	310.438	2.608	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000344457914	428649818	/nfs/dbraw/zinc/64/98/18/428649818.db2.gz	JIISWDYLFJFUBP-AVRGHOLYSA-N	0	3	315.417	2.534	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c(C)o1	ZINC000408381670	428651843	/nfs/dbraw/zinc/65/18/43/428651843.db2.gz	MVOUQLNHALIJCY-ZBFHGGJFSA-N	0	3	315.417	2.783	20	30		DFEDHN
CC(C)[C@H](CO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000362186870	428652848	/nfs/dbraw/zinc/65/28/48/428652848.db2.gz	CLSRGYDMSHRGBT-AWEZNQCLSA-N	0	3	301.308	2.543	20	30		DFEDHN
COCC1(C)CCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000358745365	428654882	/nfs/dbraw/zinc/65/48/82/428654882.db2.gz	NZPTYYDDVBKFLQ-UHFFFAOYSA-N	0	3	318.417	2.694	20	30		DFEDHN
Cc1noc(C2CCN(CCCC3(C#N)CCOCC3)CC2)n1	ZINC000374114944	428664464	/nfs/dbraw/zinc/66/44/64/428664464.db2.gz	SGJDRQRDWMAJNV-UHFFFAOYSA-N	0	3	318.421	2.658	20	30		DFEDHN
O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1CC#Cc1cccc(Cl)c1	ZINC000374072849	428661983	/nfs/dbraw/zinc/66/19/83/428661983.db2.gz	UOUIAFWXFJVQSG-FGTMMUONSA-N	0	3	319.832	2.553	20	30		DFEDHN
N#CCSCCCN1CCC[C@](CO)(c2ccccc2)C1	ZINC000374555535	428697360	/nfs/dbraw/zinc/69/73/60/428697360.db2.gz	DVQGTTGBDDEXSZ-KRWDZBQOSA-N	0	3	304.459	2.659	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@H](C(C)=O)C2(C)C)CC1	ZINC000353778009	428711199	/nfs/dbraw/zinc/71/11/99/428711199.db2.gz	ZBOYIOXLNJTCCT-DOTOQJQBSA-N	0	3	320.477	2.785	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416344126	428721943	/nfs/dbraw/zinc/72/19/43/428721943.db2.gz	UZVJKUBPVNSARS-LBTNJELSSA-N	0	3	311.429	2.925	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1	ZINC000348479817	428753556	/nfs/dbraw/zinc/75/35/56/428753556.db2.gz	PDFGQYNZNXFKCK-HUUCEWRRSA-N	0	3	323.506	2.935	20	30		DFEDHN
CCOCCN1CCN(CCC2(C#N)CCCCC2)C[C@H]1C	ZINC000411241774	428764849	/nfs/dbraw/zinc/76/48/49/428764849.db2.gz	QMNODAAOSQCXKI-QGZVFWFLSA-N	0	3	307.482	2.893	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1OCCCC#N	ZINC000348545022	428781061	/nfs/dbraw/zinc/78/10/61/428781061.db2.gz	CHVDHZQJEKRLJW-CVEARBPZSA-N	0	3	318.417	2.723	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@@H](C)CCC#N)CC2)s1	ZINC000411364090	428783141	/nfs/dbraw/zinc/78/31/41/428783141.db2.gz	YNGSXQYUBLGLTR-LBPRGKRZSA-N	0	3	305.447	2.943	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000362656524	428796697	/nfs/dbraw/zinc/79/66/97/428796697.db2.gz	RGXBDOSWOPPHGV-YOEHRIQHSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCN(C(=O)[C@@H]1CN(C)C[C@@H]1C)c1nc2c(s1)CCCC2	ZINC000362855215	428808577	/nfs/dbraw/zinc/80/85/77/428808577.db2.gz	LQIYRUPCMKQTIZ-QWHCGFSZSA-N	0	3	319.474	2.739	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCCOC2)cc1OCCCC#N	ZINC000348700039	428816005	/nfs/dbraw/zinc/81/60/05/428816005.db2.gz	BPAMIKUUJFZVCO-MRXNPFEDSA-N	0	3	318.417	2.989	20	30		DFEDHN
CCCCCN(CCO)C(=O)C(C#N)CCc1ccccc1	ZINC000362966265	428827143	/nfs/dbraw/zinc/82/71/43/428827143.db2.gz	KDPNYKAKFWRNOW-QGZVFWFLSA-N	0	3	302.418	2.770	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1noc(Cc2ccccc2)n1	ZINC000411644083	428831102	/nfs/dbraw/zinc/83/11/02/428831102.db2.gz	QFKYGHBSTWPEHN-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
Cc1nc([C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)n[nH]1	ZINC000412048708	428927604	/nfs/dbraw/zinc/92/76/04/428927604.db2.gz	XFLCXWOUKRASEW-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1n[nH]c([C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)n1	ZINC000412048708	428927608	/nfs/dbraw/zinc/92/76/08/428927608.db2.gz	XFLCXWOUKRASEW-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1nnc([C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)[nH]1	ZINC000412048708	428927613	/nfs/dbraw/zinc/92/76/13/428927613.db2.gz	XFLCXWOUKRASEW-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C2CC2)cc1	ZINC000419351452	428930721	/nfs/dbraw/zinc/93/07/21/428930721.db2.gz	JEMXITJZUUMKLS-OLZOCXBDSA-N	0	3	315.417	2.615	20	30		DFEDHN
CC(C)(C)OC(=O)CC[C@@H]1CCCN(CCOCCC#N)C1	ZINC000412062573	428937126	/nfs/dbraw/zinc/93/71/26/428937126.db2.gz	IIOQDJLZIHWDQJ-HNNXBMFYSA-N	0	3	310.438	2.751	20	30		DFEDHN
CC(C)N(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC(=O)N1	ZINC000412066724	428940244	/nfs/dbraw/zinc/94/02/44/428940244.db2.gz	DTSAMOUOKBXWLT-MRXNPFEDSA-N	0	3	313.445	2.977	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](CC=CC)C1=O)C(C)C	ZINC000349236350	428943862	/nfs/dbraw/zinc/94/38/62/428943862.db2.gz	TUEPSCVXZUNOPN-HKFHSAMXSA-N	0	3	319.449	2.572	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1ccc(C#N)cc1F	ZINC000363586675	428948563	/nfs/dbraw/zinc/94/85/63/428948563.db2.gz	MNTYZBZKYCFBGB-FRFSOERESA-N	0	3	317.408	2.999	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000363605732	428952826	/nfs/dbraw/zinc/95/28/26/428952826.db2.gz	HVYGUPNAWKCUSO-JZXOWHBKSA-N	0	3	313.445	2.751	20	30		DFEDHN
CN(CC#Cc1cccc(Cl)c1)C(C)(C)CN1CCOCC1	ZINC000412095738	428953430	/nfs/dbraw/zinc/95/34/30/428953430.db2.gz	MKIHSXAOCQQYAZ-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCCC[C@@H]1C	ZINC000420815097	428963830	/nfs/dbraw/zinc/96/38/30/428963830.db2.gz	ZUIYAOHFDXEMNQ-STQMWFEESA-N	0	3	320.462	2.682	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1	ZINC000433415177	429032069	/nfs/dbraw/zinc/03/20/69/429032069.db2.gz	QUGDOBYOIZFPDF-HZPDHXFCSA-N	0	3	311.470	2.531	20	30		DFEDHN
CC(C)(C#N)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000349382634	428979737	/nfs/dbraw/zinc/97/97/37/428979737.db2.gz	KIKLDCANONOLIR-MRXNPFEDSA-N	0	3	314.433	2.672	20	30		DFEDHN
C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)N1C	ZINC000354453253	428985628	/nfs/dbraw/zinc/98/56/28/428985628.db2.gz	VAIKPAZYGXDNCQ-HOTGVXAUSA-N	0	3	301.434	2.894	20	30		DFEDHN
N#CC(C(=O)c1cc(F)cc(Br)c1)c1ccncn1	ZINC000354459227	428986516	/nfs/dbraw/zinc/98/65/16/428986516.db2.gz	DNYGUXYMTPAGDP-LLVKDONJSA-N	0	3	320.121	2.868	20	30		DFEDHN
COc1ccc2nc(C)cc(C(=O)C(C#N)c3ccncn3)c2c1	ZINC000354470493	428986987	/nfs/dbraw/zinc/98/69/87/428986987.db2.gz	RUVHLFBZDPSIFJ-OAHLLOKOSA-N	0	3	318.336	2.832	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccncn1	ZINC000354469554	428988553	/nfs/dbraw/zinc/98/85/53/428988553.db2.gz	RDDFJGWUUBFMEK-HZPDHXFCSA-N	0	3	323.352	2.524	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](CO)C[C@H](C)C2)cc(OC)c1O	ZINC000421363348	428990043	/nfs/dbraw/zinc/99/00/43/428990043.db2.gz	PNJDPBNSSFWVKS-DZGCQCFKSA-N	0	3	305.418	2.580	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)CC[C@H]2C)ccc1OC	ZINC000421383550	428991304	/nfs/dbraw/zinc/99/13/04/428991304.db2.gz	ZHFQELYHQZJZBW-GDBMZVCRSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C)C1)C(C)C	ZINC000354665405	429002004	/nfs/dbraw/zinc/00/20/04/429002004.db2.gz	QRXDVSAPUOPBKY-BRWVUGGUSA-N	0	3	323.481	2.552	20	30		DFEDHN
Cc1cn2c(n1)CC[C@@H](NCc1ccc(F)c(C#N)c1Cl)C2	ZINC000368462092	274823082	/nfs/dbraw/zinc/82/30/82/274823082.db2.gz	LYIOYYSLFWKLGM-GFCCVEGCSA-N	0	3	318.783	2.960	20	30		DFEDHN
CC#CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000354712717	429005543	/nfs/dbraw/zinc/00/55/43/429005543.db2.gz	IREBJPWMGOLCJI-INIZCTEOSA-N	0	3	320.383	2.673	20	30		DFEDHN
C=CCOCC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000354733265	429006526	/nfs/dbraw/zinc/00/65/26/429006526.db2.gz	OYXCUVHKIIOVBQ-WMZOPIPTSA-N	0	3	316.445	2.873	20	30		DFEDHN
COCCN(CCOc1ccccc1C#N)[C@@H]1CCCSC1	ZINC000433197905	429008429	/nfs/dbraw/zinc/00/84/29/429008429.db2.gz	USRYSRYHTCQLRV-MRXNPFEDSA-N	0	3	320.458	2.781	20	30		DFEDHN
CN(Cc1csc2ccccc12)C(=O)[C@H](N)CCCC#N	ZINC000424084378	429090034	/nfs/dbraw/zinc/09/00/34/429090034.db2.gz	OFLUQQDZBHPVSA-CQSZACIVSA-N	0	3	301.415	2.881	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1C(F)(F)F	ZINC000424098143	429091693	/nfs/dbraw/zinc/09/16/93/429091693.db2.gz	CDPKQTHTTBPCKH-ZWNOBZJWSA-N	0	3	313.323	2.904	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)c1ccccc1	ZINC000424123508	429094514	/nfs/dbraw/zinc/09/45/14/429094514.db2.gz	KZAXMVSVTQDLQC-HZPDHXFCSA-N	0	3	301.434	2.880	20	30		DFEDHN
C[C@H](Nc1ccn(C2CCN(C)CC2)n1)c1cccc(C#N)c1	ZINC000376047992	429048049	/nfs/dbraw/zinc/04/80/49/429048049.db2.gz	XEAXJGPBBFWHOY-AWEZNQCLSA-N	0	3	309.417	3.195	20	30		DFEDHN
C=C(C)[C@H](N[C@@H](C)C[C@H]1COCCN1)c1ccc(F)c(F)c1	ZINC000423049358	429053910	/nfs/dbraw/zinc/05/39/10/429053910.db2.gz	JRXAQSTYSFTXQK-JDFRZJQESA-N	0	3	310.388	2.939	20	30		DFEDHN
C[C@H](NCCSCc1ccccc1C#N)c1cnccc1N	ZINC000422985074	429054068	/nfs/dbraw/zinc/05/40/68/429054068.db2.gz	BYOMALWTMHESGI-ZDUSSCGKSA-N	0	3	312.442	2.950	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000452117697	429060987	/nfs/dbraw/zinc/06/09/87/429060987.db2.gz	FHUMAYOQAXXOGL-RDTXWAMCSA-N	0	3	322.412	2.588	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1	ZINC000424135337	429097275	/nfs/dbraw/zinc/09/72/75/429097275.db2.gz	JHCMOUIYVTWUKG-JKSUJKDBSA-N	0	3	303.381	2.804	20	30		DFEDHN
C[C@@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1cccc(C#N)c1	ZINC000452169863	429076738	/nfs/dbraw/zinc/07/67/38/429076738.db2.gz	GPLDXKDXSCYFKJ-LSDHHAIUSA-N	0	3	311.429	2.604	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)(F)F	ZINC000412680814	429081277	/nfs/dbraw/zinc/08/12/77/429081277.db2.gz	QNVNUHYLVPGZCL-RISCZKNCSA-N	0	3	323.318	2.945	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	ZINC000424058966	429084540	/nfs/dbraw/zinc/08/45/40/429084540.db2.gz	ATUHPRFGDZSMSM-GJZGRUSLSA-N	0	3	305.809	2.928	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000424061460	429085587	/nfs/dbraw/zinc/08/55/87/429085587.db2.gz	IYWIZUISDFWLIB-LBPRGKRZSA-N	0	3	318.377	2.909	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCC12CC3CC(CC(C3)C1)C2	ZINC000424071699	429087480	/nfs/dbraw/zinc/08/74/80/429087480.db2.gz	BVRZPTVRQGNFHJ-QFQXCOSMSA-N	0	3	303.450	2.730	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)nc(-c3cccs3)n2)CC1	ZINC000413130604	429143963	/nfs/dbraw/zinc/14/39/63/429143963.db2.gz	RNLDAZQTQBVPCV-UHFFFAOYSA-N	0	3	314.458	2.998	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1	ZINC000413126093	429145424	/nfs/dbraw/zinc/14/54/24/429145424.db2.gz	JQXKZGDUBZZIPF-UHFFFAOYSA-N	0	3	300.362	2.837	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@H](OCC2CC2)C1	ZINC000494702435	429145485	/nfs/dbraw/zinc/14/54/85/429145485.db2.gz	IZNVCXPCSSRVMG-KRWDZBQOSA-N	0	3	300.402	2.828	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(C#N)s1)N(C)Cc1ccccc1	ZINC000487263267	429145647	/nfs/dbraw/zinc/14/56/47/429145647.db2.gz	FBLPWCXKSKOFFY-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000424510893	429149861	/nfs/dbraw/zinc/14/98/61/429149861.db2.gz	UPLUITKDUUQHIQ-OWSLCNJRSA-N	0	3	314.429	2.529	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453425696	429151364	/nfs/dbraw/zinc/15/13/64/429151364.db2.gz	OEBCHTVCNOJZQC-LSDHHAIUSA-N	0	3	305.470	2.897	20	30		DFEDHN
C=CCOc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1Cl	ZINC000453582712	429152962	/nfs/dbraw/zinc/15/29/62/429152962.db2.gz	BRHNXFJBNLQJQM-INIZCTEOSA-N	0	3	308.809	2.663	20	30		DFEDHN
Cc1csc([C@H]2CCCCN2C(=O)[C@@H](N)CCCC#N)n1	ZINC000424139975	429098736	/nfs/dbraw/zinc/09/87/36/429098736.db2.gz	ATSWVLRYBTXESM-QWHCGFSZSA-N	0	3	306.435	2.526	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1	ZINC000424152701	429101223	/nfs/dbraw/zinc/10/12/23/429101223.db2.gz	IUWMTEBELDIXQA-ZDUSSCGKSA-N	0	3	311.389	2.790	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000424152701	429101227	/nfs/dbraw/zinc/10/12/27/429101227.db2.gz	IUWMTEBELDIXQA-ZDUSSCGKSA-N	0	3	311.389	2.790	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	ZINC000424167406	429104966	/nfs/dbraw/zinc/10/49/66/429104966.db2.gz	DUPXCYRMMWTKIX-KBMXLJTQSA-N	0	3	303.381	2.599	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@H](N)CCCC#N)[C@H]2C	ZINC000424184212	429106337	/nfs/dbraw/zinc/10/63/37/429106337.db2.gz	CSXXDEKMZOMYBP-GDZNZVCISA-N	0	3	315.417	2.551	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1	ZINC000424188676	429108877	/nfs/dbraw/zinc/10/88/77/429108877.db2.gz	YLUMEFQTHZIYCA-RYUDHWBXSA-N	0	3	317.355	2.589	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1	ZINC000424205165	429110607	/nfs/dbraw/zinc/11/06/07/429110607.db2.gz	UDHDUJXWQDBTRF-MSOLQXFVSA-N	0	3	313.401	2.605	20	30		DFEDHN
C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000424336446	429127924	/nfs/dbraw/zinc/12/79/24/429127924.db2.gz	YAMDOSLPAGVNMP-NTZNESFSSA-N	0	3	310.394	2.572	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CCOCC1	ZINC000424590738	429161233	/nfs/dbraw/zinc/16/12/33/429161233.db2.gz	ZHCXDOGJJZPDMM-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000454472491	429166693	/nfs/dbraw/zinc/16/66/93/429166693.db2.gz	ABAUHHLUQUYTRP-VGWMRTNUSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000454712525	429171598	/nfs/dbraw/zinc/17/15/98/429171598.db2.gz	AVNFMWRKZFCDBT-HZPDHXFCSA-N	0	3	301.434	2.943	20	30		DFEDHN
C=CCC1(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CCOCC1	ZINC000424663692	429171852	/nfs/dbraw/zinc/17/18/52/429171852.db2.gz	NJFIWMHEPKVJJB-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
Cc1nc(NC[C@@H](C)N2CCc3ccccc3C2)ccc1C#N	ZINC000487915225	429172937	/nfs/dbraw/zinc/17/29/37/429172937.db2.gz	VHWIMEKKXUDFFT-CQSZACIVSA-N	0	3	306.413	3.120	20	30		DFEDHN
Cc1nc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C#N	ZINC000488109035	429176542	/nfs/dbraw/zinc/17/65/42/429176542.db2.gz	TXMSUENOIUEFOA-CRAIPNDOSA-N	0	3	306.413	3.509	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(C)(C#N)CC1	ZINC000455180391	429181953	/nfs/dbraw/zinc/18/19/53/429181953.db2.gz	AXVORNAHLCKECT-INIZCTEOSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=C(C)CNC(=O)N[C@@H](CCN(C)CCOC)c1ccccc1	ZINC000488570498	429185697	/nfs/dbraw/zinc/18/56/97/429185697.db2.gz	VMUQRVNNQOBNKI-KRWDZBQOSA-N	0	3	319.449	2.571	20	30		DFEDHN
C=C(CC)CN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495219055	429187343	/nfs/dbraw/zinc/18/73/43/429187343.db2.gz	DXKUGYAVVWDPHX-HUUCEWRRSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=C(CC)CN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495219056	429188328	/nfs/dbraw/zinc/18/83/28/429188328.db2.gz	DXKUGYAVVWDPHX-LSDHHAIUSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CCCC1	ZINC000455466947	429189042	/nfs/dbraw/zinc/18/90/42/429189042.db2.gz	RUEKQGYFOIDKDH-SFHVURJKSA-N	0	3	305.466	2.860	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000455521301	429191063	/nfs/dbraw/zinc/19/10/63/429191063.db2.gz	KLMKLRVETXGSFC-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@H]1CN(c2nccc(C#N)c2Cl)CCN(C2CCC2)C1	ZINC000488730920	429193685	/nfs/dbraw/zinc/19/36/85/429193685.db2.gz	KWRPFWVPQCYQRX-GFCCVEGCSA-N	0	3	304.825	2.917	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(n3cccn3)CC2)c1	ZINC000364452809	429206193	/nfs/dbraw/zinc/20/61/93/429206193.db2.gz	YLXXXDPUIOATGJ-UHFFFAOYSA-N	0	3	310.401	2.861	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455764977	429209944	/nfs/dbraw/zinc/20/99/44/429209944.db2.gz	FYODQNGUZNNLQP-LBPRGKRZSA-N	0	3	318.421	2.807	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1	ZINC000424934550	429211139	/nfs/dbraw/zinc/21/11/39/429211139.db2.gz	VRRLRVCAEDNWBQ-ROUUACIJSA-N	0	3	314.429	2.603	20	30		DFEDHN
C=CCCCCCN[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C	ZINC000488976918	429212058	/nfs/dbraw/zinc/21/20/58/429212058.db2.gz	DHMUETGQYSJVHA-CRAIPNDOSA-N	0	3	318.465	2.645	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CCN1C	ZINC000455924715	429225689	/nfs/dbraw/zinc/22/56/89/429225689.db2.gz	WMRYEOIJCKOQJR-CZUORRHYSA-N	0	3	300.406	2.699	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCCN1C	ZINC000455998399	429229666	/nfs/dbraw/zinc/22/96/66/429229666.db2.gz	DFINKJRLMDUPNJ-RHSMWYFYSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@@H](CC)C1	ZINC000441624712	429230774	/nfs/dbraw/zinc/23/07/74/429230774.db2.gz	WZWJZQJHFBKSOI-SJORKVTESA-N	0	3	321.486	2.982	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(C[C@@H]1CCCO1)C1CCCC1	ZINC000441474196	429231001	/nfs/dbraw/zinc/23/10/01/429231001.db2.gz	QDARPUPAHQXPTG-KRWDZBQOSA-N	0	3	306.450	2.611	20	30		DFEDHN
C[C@@H]1C(NNc2ncccc2F)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000495675850	429243419	/nfs/dbraw/zinc/24/34/19/429243419.db2.gz	DOHHFLUEMQZMAO-SECBINFHSA-N	0	3	322.340	2.545	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COc1cccc2[nH]ccc21	ZINC000489493217	429246578	/nfs/dbraw/zinc/24/65/78/429246578.db2.gz	HELRWTLOWPSMLH-CABCVRRESA-N	0	3	300.402	2.948	20	30		DFEDHN
CSC1(CNc2c(C#N)cccc2[N+](=O)[O-])CCN(C)CC1	ZINC000425268153	429254270	/nfs/dbraw/zinc/25/42/70/429254270.db2.gz	NIZGAPPURDGPTJ-UHFFFAOYSA-N	0	3	320.418	2.706	20	30		DFEDHN
C=C(CC)CN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495735931	429255725	/nfs/dbraw/zinc/25/57/25/429255725.db2.gz	FFWJLZBLDFMXHB-LSDHHAIUSA-N	0	3	310.438	2.663	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000444312900	429268543	/nfs/dbraw/zinc/26/85/43/429268543.db2.gz	LSEIQMDPQZAZFZ-KRWDZBQOSA-N	0	3	311.429	2.579	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000456299587	429271657	/nfs/dbraw/zinc/27/16/57/429271657.db2.gz	FLRVWGLPUGXWDE-MDZRGWNJSA-N	0	3	311.429	2.517	20	30		DFEDHN
C=CCC[C@@H](CC)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425354746	429272705	/nfs/dbraw/zinc/27/27/05/429272705.db2.gz	NSXCLXMBKZOUPG-CYBMUJFWSA-N	0	3	306.406	2.977	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000444923403	429278945	/nfs/dbraw/zinc/27/89/45/429278945.db2.gz	QHHACRBTPZCJKG-UHFFFAOYSA-N	0	3	318.396	2.941	20	30		DFEDHN
COc1cc(CNCCN(C)C(=O)OC(C)(C)C)ccc1C#N	ZINC000497051853	429318412	/nfs/dbraw/zinc/31/84/12/429318412.db2.gz	DURUXURMHCWWHA-UHFFFAOYSA-N	0	3	319.405	2.523	20	30		DFEDHN
CC1(C)C[C@@H](O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000456534134	429319708	/nfs/dbraw/zinc/31/97/08/429319708.db2.gz	IVEFHCGXXVJYJQ-IRXDYDNUSA-N	0	3	314.429	2.768	20	30		DFEDHN
Cn1cc(CN2CCCN(CCCCC(C)(C)C#N)CC2)cn1	ZINC000365444998	429320931	/nfs/dbraw/zinc/32/09/31/429320931.db2.gz	URQLJUPWTASHJC-UHFFFAOYSA-N	0	3	317.481	2.648	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2N(C)C(C)C)CC1	ZINC000491210645	429335026	/nfs/dbraw/zinc/33/50/26/429335026.db2.gz	XAXXBHWCGOBKNU-UHFFFAOYSA-N	0	3	313.445	2.815	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@]2(CCOC2)C1	ZINC000456699004	429339380	/nfs/dbraw/zinc/33/93/80/429339380.db2.gz	SCQVSPJLZNNPEU-HKUYNNGSSA-N	0	3	312.413	2.788	20	30		DFEDHN
CCn1cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000456702228	429340790	/nfs/dbraw/zinc/34/07/90/429340790.db2.gz	XZXGPLFFJGWUMI-GOEBONIOSA-N	0	3	310.401	2.853	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000449156640	429345428	/nfs/dbraw/zinc/34/54/28/429345428.db2.gz	SVXDWKAFZHKLSN-GOEBONIOSA-N	0	3	304.438	2.640	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCC[C@H]1CCOC1	ZINC000456757579	429345697	/nfs/dbraw/zinc/34/56/97/429345697.db2.gz	IFYLSJMLRZXWMM-DLBZAZTESA-N	0	3	300.402	2.692	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCC[C@@H]1CCOC1	ZINC000456757591	429345871	/nfs/dbraw/zinc/34/58/71/429345871.db2.gz	IFYLSJMLRZXWMM-SJORKVTESA-N	0	3	300.402	2.692	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(O)c3ccccc23)CC1	ZINC000490556615	429293245	/nfs/dbraw/zinc/29/32/45/429293245.db2.gz	VQBTZZZWTDHCLH-UHFFFAOYSA-N	0	3	308.381	2.829	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C)C#N)c(OCC(F)(F)F)c1	ZINC000446519038	429299094	/nfs/dbraw/zinc/29/90/94/429299094.db2.gz	FHBUXZRFQIADOO-JTQLQIEISA-N	0	3	300.280	2.712	20	30		DFEDHN
CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCOCCC#N	ZINC000425469664	429303421	/nfs/dbraw/zinc/30/34/21/429303421.db2.gz	FSPHJEFMMNVMSS-OAHLLOKOSA-N	0	3	310.438	2.893	20	30		DFEDHN
COc1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)ccc1OCCO	ZINC000447563854	429304995	/nfs/dbraw/zinc/30/49/95/429304995.db2.gz	SPHZDHXXNAJKCJ-OFQRWUPVSA-N	0	3	318.417	2.799	20	30		DFEDHN
C#CCN(C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1CCCCC1	ZINC000490779440	429306157	/nfs/dbraw/zinc/30/61/57/429306157.db2.gz	WDGGENIYKFPXHF-HUUCEWRRSA-N	0	3	303.450	2.589	20	30		DFEDHN
C=CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000447953559	429309214	/nfs/dbraw/zinc/30/92/14/429309214.db2.gz	TTZWPFAXAJCEKE-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C1CCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000496146652	429310734	/nfs/dbraw/zinc/31/07/34/429310734.db2.gz	LXINOTYSPIAXKJ-SFHVURJKSA-N	0	3	324.465	2.791	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)NC1CC1)c1nc2c(s1)CCCC2	ZINC000449165510	429347214	/nfs/dbraw/zinc/34/72/14/429347214.db2.gz	WPKHAVRODUTKRJ-NSHDSACASA-N	0	3	305.447	2.681	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1cccnc1	ZINC000425536467	429317979	/nfs/dbraw/zinc/31/79/79/429317979.db2.gz	OQFYVWUKLNSXKX-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C#CCN(CC#CC)C(=O)c1ccc(CN2CCCCC2)cc1	ZINC000491715427	429395546	/nfs/dbraw/zinc/39/55/46/429395546.db2.gz	PQGWHEAUFBCECR-UHFFFAOYSA-N	0	3	308.425	2.771	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000491718889	429397874	/nfs/dbraw/zinc/39/78/74/429397874.db2.gz	WXTXVHKPFUTOHR-MAUKXSAKSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(OC)cccc2SC)CC1	ZINC000491737744	429398585	/nfs/dbraw/zinc/39/85/85/429398585.db2.gz	QSJLCOSDDGEFRS-UHFFFAOYSA-N	0	3	318.442	2.701	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)CC1	ZINC000491741236	429400091	/nfs/dbraw/zinc/40/00/91/429400091.db2.gz	ZABZTBHAMIVHQM-OAQYLSRUSA-N	0	3	324.468	2.859	20	30		DFEDHN
C#C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(Cl)cc1	ZINC000491787450	429408766	/nfs/dbraw/zinc/40/87/66/429408766.db2.gz	VRVWEGGOQULMID-CZUORRHYSA-N	0	3	319.836	2.655	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl	ZINC000491396425	429356155	/nfs/dbraw/zinc/35/61/55/429356155.db2.gz	YDEZPYPMSYTGPN-CHWSQXEVSA-N	0	3	322.811	2.654	20	30		DFEDHN
C#C[C@@H](NC1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)cc1	ZINC000491496277	429365994	/nfs/dbraw/zinc/36/59/94/429365994.db2.gz	PGCDBLWFWVQKEM-MRXNPFEDSA-N	0	3	319.836	2.750	20	30		DFEDHN
CC(C)(CNC(=O)c1ccc(F)c(C#N)c1)N1CCCCC1	ZINC000514784855	429372210	/nfs/dbraw/zinc/37/22/10/429372210.db2.gz	QPJWSNOECOJCTI-UHFFFAOYSA-N	0	3	303.381	2.692	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000515003432	429372980	/nfs/dbraw/zinc/37/29/80/429372980.db2.gz	PZBJKYRJEBQYGA-RTBURBONSA-N	0	3	323.440	2.926	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000515165910	429374643	/nfs/dbraw/zinc/37/46/43/429374643.db2.gz	NSMDZNXZPKWLIJ-LSDHHAIUSA-N	0	3	300.381	2.685	20	30		DFEDHN
N#CCCN(Cc1ccco1)C(=O)Nc1cccc2c1CCNC2	ZINC000515220486	429375062	/nfs/dbraw/zinc/37/50/62/429375062.db2.gz	VBQVACDKUYNJIB-UHFFFAOYSA-N	0	3	324.384	2.873	20	30		DFEDHN
CS[C@@H]1CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000515348323	429375602	/nfs/dbraw/zinc/37/56/02/429375602.db2.gz	AUEMSZVLOZCARB-OWCLPIDISA-N	0	3	315.442	2.537	20	30		DFEDHN
C=CCCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000365824061	429379164	/nfs/dbraw/zinc/37/91/64/429379164.db2.gz	JRPIQVFINGRRFN-KRWDZBQOSA-N	0	3	301.434	2.766	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCc3c(F)cccc32)CC1	ZINC000491653365	429384810	/nfs/dbraw/zinc/38/48/10/429384810.db2.gz	NTNGAECVNIZCFZ-GOSISDBHSA-N	0	3	314.404	2.665	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCCc2ccccc21	ZINC000491662952	429386618	/nfs/dbraw/zinc/38/66/18/429386618.db2.gz	QWJVXLBFOJPUAB-GOSISDBHSA-N	0	3	313.445	2.661	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H]1c1ccc(Br)cn1	ZINC000457323610	429444801	/nfs/dbraw/zinc/44/48/01/429444801.db2.gz	HUSNNDJXZCHQAS-SKDRFNHKSA-N	0	3	308.179	2.667	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1cccc2c1CCN(CC)C2	ZINC000366349240	429448408	/nfs/dbraw/zinc/44/84/08/429448408.db2.gz	XYYPJAZAPFUNCC-CQSZACIVSA-N	0	3	302.418	2.984	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCC[C@H]1CCS(C)(=O)=O	ZINC000366372377	429449056	/nfs/dbraw/zinc/44/90/56/429449056.db2.gz	CIFSBUCVCINXAF-AWEZNQCLSA-N	0	3	300.468	2.606	20	30		DFEDHN
CCC(C)(C)OCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000457356831	429450884	/nfs/dbraw/zinc/45/08/84/429450884.db2.gz	LYEIDTOUVWSASU-MRXNPFEDSA-N	0	3	313.401	2.562	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000492026699	429454062	/nfs/dbraw/zinc/45/40/62/429454062.db2.gz	UQELVRLHSXHBAC-OCCSQVGLSA-N	0	3	317.389	2.528	20	30		DFEDHN
Cc1c(C)c(C)c(CNC[C@@H](O)CN(C)CCC#N)c(C)c1C	ZINC000519386287	429456353	/nfs/dbraw/zinc/45/63/53/429456353.db2.gz	LBZXIFJTCHUZBU-GOSISDBHSA-N	0	3	317.477	2.525	20	30		DFEDHN
CCN(C)CCNC(=O)/C=C\c1cn(CCC#N)c2ccccc12	ZINC000491874810	429425434	/nfs/dbraw/zinc/42/54/34/429425434.db2.gz	WJWVMXAOVOYOCU-KTKRTIGZSA-N	0	3	324.428	2.636	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C#N)C[C@H]2C)CC1	ZINC000449876759	429529667	/nfs/dbraw/zinc/52/96/67/429529667.db2.gz	MHYUGCUVAIKQTL-CLCXKQKWSA-N	0	3	311.429	2.878	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCCCO1)C(C)C	ZINC000457566989	429487881	/nfs/dbraw/zinc/48/78/81/429487881.db2.gz	YOLFMPGGJFLNED-SJLPKXTDSA-N	0	3	308.466	2.760	20	30		DFEDHN
COc1ncccc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000428072159	429489232	/nfs/dbraw/zinc/48/92/32/429489232.db2.gz	UALFQROUUKQGOF-KRWDZBQOSA-N	0	3	323.396	2.521	20	30		DFEDHN
C[C@H](Cc1cccc(F)c1)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000519824943	429491617	/nfs/dbraw/zinc/49/16/17/429491617.db2.gz	MDECXBQZRJBXMY-CYBMUJFWSA-N	0	3	323.375	2.803	20	30		DFEDHN
Cc1ccnc(NC[C@H]2CCCN(Cc3cccnc3)C2)c1C#N	ZINC000366786814	429514821	/nfs/dbraw/zinc/51/48/21/429514821.db2.gz	SFKOWPGZTCVTFF-QGZVFWFLSA-N	0	3	321.428	2.981	20	30		DFEDHN
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccccc2C#N)C1	ZINC000428774792	429552188	/nfs/dbraw/zinc/55/21/88/429552188.db2.gz	AAGBTONHJRBCHZ-FQEVSTJZSA-N	0	3	320.392	2.875	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCOCC2	ZINC000367009455	429557884	/nfs/dbraw/zinc/55/78/84/429557884.db2.gz	LRYJVXOEYYHTPU-IRXDYDNUSA-N	0	3	318.392	2.761	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccsc2)CC1	ZINC000521600309	429558936	/nfs/dbraw/zinc/55/89/36/429558936.db2.gz	BMTJCKWTBCFFDP-ZDUSSCGKSA-N	0	3	307.463	2.629	20	30		DFEDHN
CCO[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCOCC2	ZINC000367024338	429559362	/nfs/dbraw/zinc/55/93/62/429559362.db2.gz	YCGFVOSROKDGNY-ROUUACIJSA-N	0	3	317.404	2.741	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(O)cc2)CC1	ZINC000492561114	429566327	/nfs/dbraw/zinc/56/63/27/429566327.db2.gz	FBCJKIKFBGPYNT-YVMONPNESA-N	0	3	300.402	2.562	20	30		DFEDHN
CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N	ZINC000492821477	429623218	/nfs/dbraw/zinc/62/32/18/429623218.db2.gz	YFVRJNHXPJNVKA-MLGOLLRUSA-N	0	3	311.426	2.592	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000458439456	429638814	/nfs/dbraw/zinc/63/88/14/429638814.db2.gz	ULEFTSHXRXXINE-HOCLYGCPSA-N	0	3	319.474	2.796	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(C)c1	ZINC000458215854	429602445	/nfs/dbraw/zinc/60/24/45/429602445.db2.gz	PROWHUBSNHTFGA-QGZVFWFLSA-N	0	3	303.406	2.814	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1C#N	ZINC000367243823	429602521	/nfs/dbraw/zinc/60/25/21/429602521.db2.gz	MUZLQOADHGTGEY-GOSISDBHSA-N	0	3	311.429	2.957	20	30		DFEDHN
Cc1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000367252241	429606049	/nfs/dbraw/zinc/60/60/49/429606049.db2.gz	PVSHASCKRMDCDZ-MOPGFXCFSA-N	0	3	319.408	2.694	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(CCN(C)C)Cc1ccsc1	ZINC000458226560	429606557	/nfs/dbraw/zinc/60/65/57/429606557.db2.gz	QOJUXXLGEYDRKT-UHFFFAOYSA-N	0	3	317.414	2.725	20	30		DFEDHN
Cc1ccc(CCCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000430181793	429659303	/nfs/dbraw/zinc/65/93/03/429659303.db2.gz	WHVNGZBCUIRQST-GOSISDBHSA-N	0	3	322.412	2.743	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000450697941	429679181	/nfs/dbraw/zinc/67/91/81/429679181.db2.gz	OMXYTHDUTGRGLA-CXAGYDPISA-N	0	3	310.401	2.616	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000450697942	429679943	/nfs/dbraw/zinc/67/99/43/429679943.db2.gz	OMXYTHDUTGRGLA-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2ccc(C#N)c(Cl)c2)CCC1	ZINC000525872431	429682784	/nfs/dbraw/zinc/68/27/84/429682784.db2.gz	HASXWFUVOCVIEG-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CCCCC1	ZINC000450717116	429685353	/nfs/dbraw/zinc/68/53/53/429685353.db2.gz	ZKUAEGCPECGHSY-KRWDZBQOSA-N	0	3	321.509	2.655	20	30		DFEDHN
CCOC[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000459704261	429701730	/nfs/dbraw/zinc/70/17/30/429701730.db2.gz	PQEWBTDUJXAJEW-AWEZNQCLSA-N	0	3	321.446	2.839	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1	ZINC000367706274	429702660	/nfs/dbraw/zinc/70/26/60/429702660.db2.gz	RWUYAVKQLNWFMM-KRWDZBQOSA-N	0	3	309.413	2.812	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(F)F)CC2)cc1	ZINC000472356682	429714560	/nfs/dbraw/zinc/71/45/60/429714560.db2.gz	UKBKZTLCACFARH-OAHLLOKOSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC[C@H](C)C1	ZINC000479338378	429719234	/nfs/dbraw/zinc/71/92/34/429719234.db2.gz	ACGQEORTLOMODD-LSDHHAIUSA-N	0	3	308.470	2.736	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccccc2)[C@H]1C	ZINC000527297565	429740734	/nfs/dbraw/zinc/74/07/34/429740734.db2.gz	ILMCYICNTNMJFH-INMHGKMJSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@@H]1Oc1ccccc1C	ZINC000484645948	429742112	/nfs/dbraw/zinc/74/21/12/429742112.db2.gz	HWARTFDKURDYQL-RDJZCZTQSA-N	0	3	302.418	2.577	20	30		DFEDHN
COc1ccc(CNCC23CC(C2)CO3)cc1OCCCC#N	ZINC000527788098	429797647	/nfs/dbraw/zinc/79/76/47/429797647.db2.gz	JOBKUWNMEFXEHW-UHFFFAOYSA-N	0	3	316.401	2.646	20	30		DFEDHN
C=C(C)COc1cc(CNCC23CC(C2)CO3)ccc1OC	ZINC000527788228	429798442	/nfs/dbraw/zinc/79/84/42/429798442.db2.gz	KHXVHUZQINISLM-UHFFFAOYSA-N	0	3	303.402	2.919	20	30		DFEDHN
CC[C@]1(CO)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000451063679	429759703	/nfs/dbraw/zinc/75/97/03/429759703.db2.gz	QFYBAQRUIJRBEE-MJGOQNOKSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000451390462	429821538	/nfs/dbraw/zinc/82/15/38/429821538.db2.gz	DCFNJUUWNCFQOU-SZMVWBNQSA-N	0	3	320.477	2.881	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C	ZINC000451492752	429835425	/nfs/dbraw/zinc/83/54/25/429835425.db2.gz	GDUHIBLSLLSQKL-CVEARBPZSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCCC1CCCCC1	ZINC000451669868	429869375	/nfs/dbraw/zinc/86/93/75/429869375.db2.gz	BGDOXHQYRMUHDR-SJORKVTESA-N	0	3	308.466	2.786	20	30		DFEDHN
N#CCC1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1	ZINC000528147707	429854359	/nfs/dbraw/zinc/85/43/59/429854359.db2.gz	FOJRYWNNKXGGKJ-QGZVFWFLSA-N	0	3	318.465	2.729	20	30		DFEDHN
CC1(C#N)CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1	ZINC000528151076	429855805	/nfs/dbraw/zinc/85/58/05/429855805.db2.gz	WSZXJEZBKVVMRB-MRXNPFEDSA-N	0	3	318.465	2.729	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@]1(C)CCO[C@H]1C	ZINC000494258013	429863543	/nfs/dbraw/zinc/86/35/43/429863543.db2.gz	WNEJGLZKQBADNG-ZQIUZPCESA-N	0	3	322.474	2.808	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OC	ZINC000451634381	429865380	/nfs/dbraw/zinc/86/53/80/429865380.db2.gz	UOGCEUNFTBNDSM-NUEKZKHPSA-N	0	3	322.474	2.808	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCOCC2	ZINC000368655804	429882526	/nfs/dbraw/zinc/88/25/26/429882526.db2.gz	PKNSZSQJUKILAC-SJORKVTESA-N	0	3	300.402	2.622	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCOCC2	ZINC000368655803	429883031	/nfs/dbraw/zinc/88/30/31/429883031.db2.gz	PKNSZSQJUKILAC-IRXDYDNUSA-N	0	3	300.402	2.622	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](Cc2ccncc2)C1	ZINC000368652335	429883100	/nfs/dbraw/zinc/88/31/00/429883100.db2.gz	ZEYLOGANBGAHFC-SJLPKXTDSA-N	0	3	315.461	2.759	20	30		DFEDHN
Cc1cccc(NC2CCN(C[C@H](O)CC3(C#N)CC3)CC2)c1	ZINC000528414589	429886884	/nfs/dbraw/zinc/88/68/84/429886884.db2.gz	DUUJZIXFUOBLEW-GOSISDBHSA-N	0	3	313.445	2.926	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](OC)c2ccc(F)cc2)CC1	ZINC000528449718	429890255	/nfs/dbraw/zinc/89/02/55/429890255.db2.gz	PRMHXFAANMBDQY-KRWDZBQOSA-N	0	3	320.408	2.670	20	30		DFEDHN
C[C@]1(c2ccc(F)cc2)CCN(C[C@@H](O)CC2(C#N)CC2)C1	ZINC000528488039	429892496	/nfs/dbraw/zinc/89/24/96/429892496.db2.gz	NDJQYPIKGFJKGE-IRXDYDNUSA-N	0	3	302.393	2.844	20	30		DFEDHN
COc1ccc2c(c1)C1(CC1)CN(C[C@H](O)CC1(C#N)CC1)C2	ZINC000528511845	429895642	/nfs/dbraw/zinc/89/56/42/429895642.db2.gz	YTYBBOFMJIWVAK-OAHLLOKOSA-N	0	3	312.413	2.597	20	30		DFEDHN
Cc1noc(C)c1CO[C@H]1CCN(CCCSCC#N)C1	ZINC000368848782	429898585	/nfs/dbraw/zinc/89/85/85/429898585.db2.gz	ZRQZHIOHQHDJKE-AWEZNQCLSA-N	0	3	309.435	2.529	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H](C)C1(F)F	ZINC000528583258	429900662	/nfs/dbraw/zinc/90/06/62/429900662.db2.gz	PJWSVMPIVRKCQD-NFAWXSAZSA-N	0	3	324.371	2.521	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1	ZINC000528723902	429909932	/nfs/dbraw/zinc/90/99/32/429909932.db2.gz	ZOQGLWJELXRWHZ-UHFFFAOYSA-N	0	3	301.390	2.599	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(C)(N2CCOCC2)CC1	ZINC000528729343	429910968	/nfs/dbraw/zinc/91/09/68/429910968.db2.gz	RMSVAQOZOWVQPD-MRXNPFEDSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000528755389	429912899	/nfs/dbraw/zinc/91/28/99/429912899.db2.gz	GZQMDOPKZZTIOV-ZSYFIWHWSA-N	0	3	321.808	2.552	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000528755386	429912958	/nfs/dbraw/zinc/91/29/58/429912958.db2.gz	GZQMDOPKZZTIOV-IDYSPNNHSA-N	0	3	321.808	2.552	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(C#N)c1C	ZINC000528770811	429914620	/nfs/dbraw/zinc/91/46/20/429914620.db2.gz	ZQZCLQZSIJWQAZ-KNSQEALPSA-N	0	3	321.446	2.577	20	30		DFEDHN
C=CCCCN1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1	ZINC000369255838	429921469	/nfs/dbraw/zinc/92/14/69/429921469.db2.gz	XCRUPXRUBZOKHE-ZDUSSCGKSA-N	0	3	305.426	2.697	20	30		DFEDHN
CC(C)CN1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000369311066	429923285	/nfs/dbraw/zinc/92/32/85/429923285.db2.gz	UTBXNHGSAZGOEF-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(CC)(C2CC2)C2CC2)CC1	ZINC000636739993	429925709	/nfs/dbraw/zinc/92/57/09/429925709.db2.gz	NGSHSUQZGMBLFB-UHFFFAOYSA-N	0	3	305.466	2.905	20	30		DFEDHN
CCN1CCC(N(C(=O)c2ccc(C#N)cc2C)C2CC2)CC1	ZINC000368570467	429869944	/nfs/dbraw/zinc/86/99/44/429869944.db2.gz	UWXIVWYMTCQOJE-UHFFFAOYSA-N	0	3	311.429	2.956	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)NCC(C)C)c1	ZINC000451673280	429870814	/nfs/dbraw/zinc/87/08/14/429870814.db2.gz	KLNWHEOQJHSQHC-MSOLQXFVSA-N	0	3	316.445	2.896	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)CC1	ZINC000528338953	429875982	/nfs/dbraw/zinc/87/59/82/429875982.db2.gz	FOXUGAGUWKVIRB-QGZVFWFLSA-N	0	3	300.377	2.970	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637024687	429969708	/nfs/dbraw/zinc/96/97/08/429969708.db2.gz	UNINEFCXPDXLIL-WCXIOVBPSA-N	0	3	323.481	2.672	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccc(Cl)c1	ZINC000369363963	429930663	/nfs/dbraw/zinc/93/06/63/429930663.db2.gz	OYNDOVPAIWCQNM-DZGCQCFKSA-N	0	3	319.836	2.999	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528923087	429935595	/nfs/dbraw/zinc/93/55/95/429935595.db2.gz	DFQDOXPUEIUULO-BFHYXJOUSA-N	0	3	302.399	2.619	20	30		DFEDHN
CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cccnn1	ZINC000528921283	429935629	/nfs/dbraw/zinc/93/56/29/429935629.db2.gz	SZYBCYSLMNUGKI-CQSZACIVSA-N	0	3	322.368	2.563	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000528959628	429942337	/nfs/dbraw/zinc/94/23/37/429942337.db2.gz	FAUDENRXFJACOJ-UHFFFAOYSA-N	0	3	314.433	2.744	20	30		DFEDHN
N#CC(C(=O)c1ccc(O[C@H]2CC2(F)F)cc1)c1ccncn1	ZINC000528988291	429946942	/nfs/dbraw/zinc/94/69/42/429946942.db2.gz	VCHHBZDLXLOGJS-OCCSQVGLSA-N	0	3	315.279	2.753	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1	ZINC000529000093	429948035	/nfs/dbraw/zinc/94/80/35/429948035.db2.gz	PWMDHARKHYZMTJ-OSFKPRLVSA-N	0	3	309.369	2.866	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000560467742	430047261	/nfs/dbraw/zinc/04/72/61/430047261.db2.gz	PIQDMZXUXFWZGH-UHFFFAOYSA-N	0	3	303.381	2.644	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000559075131	429998021	/nfs/dbraw/zinc/99/80/21/429998021.db2.gz	LDUGTCFTZTUKQK-SJORKVTESA-N	0	3	315.465	2.664	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000639919333	430023588	/nfs/dbraw/zinc/02/35/88/430023588.db2.gz	QPXWPQNQVOOUIX-KBPBESRZSA-N	0	3	303.324	2.656	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1C	ZINC000574249366	430024762	/nfs/dbraw/zinc/02/47/62/430024762.db2.gz	PBMJFDSHACFLGR-CABCVRRESA-N	0	3	308.809	2.910	20	30		DFEDHN
C[C@@H]1CC(F)(F)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000530008293	430095446	/nfs/dbraw/zinc/09/54/46/430095446.db2.gz	FEBORZFGSFCUCF-IUODEOHRSA-N	0	3	317.339	2.887	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NC[C@@H]3CCN3C3CCCC3)cc2)CC1	ZINC000530022447	430096265	/nfs/dbraw/zinc/09/62/65/430096265.db2.gz	GXPBOGSMSFNAPC-SFHVURJKSA-N	0	3	323.440	2.988	20	30		DFEDHN
C=C(C)CN(CCCc1cncn1C)Cc1ccc(CO)o1	ZINC000575758632	430098123	/nfs/dbraw/zinc/09/81/23/430098123.db2.gz	AOOMGOBNYGMLKO-UHFFFAOYSA-N	0	3	303.406	2.516	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H]3COC[C@@H]3C2)ccc1OC	ZINC000634746642	430099247	/nfs/dbraw/zinc/09/92/47/430099247.db2.gz	FFMZVMHIINSACX-IYBDPMFKSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCn1cccc1C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000575931081	430099384	/nfs/dbraw/zinc/09/93/84/430099384.db2.gz	KERPXLDYQPDFLR-UHFFFAOYSA-N	0	3	313.401	2.997	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](O)COc1ccccc1C#N	ZINC000530232060	430106143	/nfs/dbraw/zinc/10/61/43/430106143.db2.gz	WISDOCZRRACVQK-WIBUTAKZSA-N	0	3	322.408	2.821	20	30		DFEDHN
C[C@H]1CCCN(CCNc2ccc(C(F)(F)F)c(C#N)n2)C1	ZINC000576660135	430107591	/nfs/dbraw/zinc/10/75/91/430107591.db2.gz	UTCDLDLPOYQDIJ-NSHDSACASA-N	0	3	312.339	3.116	20	30		DFEDHN
C[C@@H]1CCCN(CCNc2ccc(C(F)(F)F)c(C#N)n2)C1	ZINC000576660134	430107675	/nfs/dbraw/zinc/10/76/75/430107675.db2.gz	UTCDLDLPOYQDIJ-LLVKDONJSA-N	0	3	312.339	3.116	20	30		DFEDHN
N#C[C@H]1CC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1	ZINC000574989937	430054203	/nfs/dbraw/zinc/05/42/03/430054203.db2.gz	YMBIWLOHWGWTCE-QFBILLFUSA-N	0	3	313.445	2.995	20	30		DFEDHN
N#CCc1cccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1	ZINC000529716726	430060395	/nfs/dbraw/zinc/06/03/95/430060395.db2.gz	DGLGSFPLUAIHTE-SFHVURJKSA-N	0	3	311.429	2.889	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC12CCOCC2	ZINC000562627832	430156680	/nfs/dbraw/zinc/15/66/80/430156680.db2.gz	VVCXEHORQDCQAB-DLBZAZTESA-N	0	3	312.413	2.692	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(Cc2ccccn2)C(C)C)CC1	ZINC000535810092	430169165	/nfs/dbraw/zinc/16/91/65/430169165.db2.gz	APLNLYJWZBPAQT-UHFFFAOYSA-N	0	3	316.449	2.652	20	30		DFEDHN
C[C@@H]1c2c(F)cccc2CCN1CCC(=O)N(C)CCC#N	ZINC000537851567	430173851	/nfs/dbraw/zinc/17/38/51/430173851.db2.gz	OVUAEAZCZCPJEP-CYBMUJFWSA-N	0	3	303.381	2.507	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1	ZINC000577769949	430116438	/nfs/dbraw/zinc/11/64/38/430116438.db2.gz	BFKGLLWMMXCWET-KCYZZUKISA-N	0	3	320.433	2.806	20	30		DFEDHN
C[C@]1(NC(=O)NCCCCC#N)CCN(Cc2ccccc2)C1	ZINC000577735845	430116685	/nfs/dbraw/zinc/11/66/85/430116685.db2.gz	TZKKHYAWHPKWHC-SFHVURJKSA-N	0	3	314.433	2.644	20	30		DFEDHN
C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cc2ccccc2s1	ZINC000577948208	430117370	/nfs/dbraw/zinc/11/73/70/430117370.db2.gz	REBORFGCZRMMAE-DZGCQCFKSA-N	0	3	317.458	2.758	20	30		DFEDHN
N#CCCN(CC1CC1)C(=O)Nc1ccc2c(c1F)CCNC2	ZINC000577996965	430119351	/nfs/dbraw/zinc/11/93/51/430119351.db2.gz	OZHVPYWYPDULRD-UHFFFAOYSA-N	0	3	316.380	2.629	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)s1	ZINC000530670040	430121409	/nfs/dbraw/zinc/12/14/09/430121409.db2.gz	ADBFDXKOAJREOQ-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000562442893	430132281	/nfs/dbraw/zinc/13/22/81/430132281.db2.gz	AIEZGLXUMDUBQT-CXAGYDPISA-N	0	3	311.429	2.856	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000580556084	430134057	/nfs/dbraw/zinc/13/40/57/430134057.db2.gz	COVNYWHPIUHTRN-CVEARBPZSA-N	0	3	315.373	2.857	20	30		DFEDHN
CCO[C@@H]1C[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000562535133	430143498	/nfs/dbraw/zinc/14/34/98/430143498.db2.gz	YUJNCUCERXTYJS-DLBZAZTESA-N	0	3	310.401	2.731	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@@H]12	ZINC000531588236	430146916	/nfs/dbraw/zinc/14/69/16/430146916.db2.gz	UTMVLDBIAQVOTR-IKGGRYGDSA-N	0	3	316.449	2.543	20	30		DFEDHN
C[C@H](CN(C)Cc1cnc2c(C#N)cnn2c1)c1ccccc1	ZINC000581192559	430186462	/nfs/dbraw/zinc/18/64/62/430186462.db2.gz	RHJJLAUVGCIYCD-CQSZACIVSA-N	0	3	305.385	2.836	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CCC#N)CC1	ZINC000564890767	430201619	/nfs/dbraw/zinc/20/16/19/430201619.db2.gz	GOAKGSVNPIIWSJ-QGZVFWFLSA-N	0	3	320.481	2.976	20	30		DFEDHN
Cc1csc(NC(=O)N2CCC(N3CC=CC3)CC2)c1C#N	ZINC000581377488	430202583	/nfs/dbraw/zinc/20/25/83/430202583.db2.gz	FHRMMYMUTKWSJH-UHFFFAOYSA-N	0	3	316.430	2.796	20	30		DFEDHN
C[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(C#N)cc1F	ZINC000541904809	430195309	/nfs/dbraw/zinc/19/53/09/430195309.db2.gz	PATHWMSCPSKBLP-TZMCWYRMSA-N	0	3	302.349	2.792	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000564741187	430198892	/nfs/dbraw/zinc/19/88/92/430198892.db2.gz	OPIHDFYMGMPJED-INIZCTEOSA-N	0	3	317.481	2.727	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCCC[C@H]1C	ZINC000541965401	430199443	/nfs/dbraw/zinc/19/94/43/430199443.db2.gz	UIDAVPHDLHLDAP-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCOCC(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1	ZINC000565094513	430203080	/nfs/dbraw/zinc/20/30/80/430203080.db2.gz	VQDUPOBNWMKJCD-OAHLLOKOSA-N	0	3	322.474	2.539	20	30		DFEDHN
N#CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CCCC1	ZINC000565187104	430204555	/nfs/dbraw/zinc/20/45/55/430204555.db2.gz	DCMAIRLYJPKPIY-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000565698616	430223657	/nfs/dbraw/zinc/22/36/57/430223657.db2.gz	JBBGDWHNLFEWPK-DNVCBOLYSA-N	0	3	311.429	2.707	20	30		DFEDHN
Cc1ccccc1[C@H](CO)NCCC(=O)Nc1ccc(C#N)cc1	ZINC000543840701	430266343	/nfs/dbraw/zinc/26/63/43/430266343.db2.gz	XWKLLIXJWWUPJX-SFHVURJKSA-N	0	3	323.396	2.519	20	30		DFEDHN
N#CCCn1cc(CN2C[C@@H]3CCC[C@H]32)c(-c2ccncc2)n1	ZINC000567060497	430276035	/nfs/dbraw/zinc/27/60/35/430276035.db2.gz	BZDDSPABSFZPAR-DOTOQJQBSA-N	0	3	307.401	2.843	20	30		DFEDHN
CC1(F)CC(NCc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000568355150	430349755	/nfs/dbraw/zinc/34/97/55/430349755.db2.gz	XOGWLVNPOHXXBX-UHFFFAOYSA-N	0	3	313.380	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccccc2-c2cn[nH]c2)CC1	ZINC000635530665	430298799	/nfs/dbraw/zinc/29/87/99/430298799.db2.gz	HZQOAUPWJCEGFB-UHFFFAOYSA-N	0	3	324.428	2.847	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@H](C)CCC#N)CC1	ZINC000583610989	430411879	/nfs/dbraw/zinc/41/18/79/430411879.db2.gz	IUZFINTVVQLXGS-MRXNPFEDSA-N	0	3	303.454	2.664	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](O)CC12CCC2	ZINC000568985673	430411901	/nfs/dbraw/zinc/41/19/01/430411901.db2.gz	PFKWVAIZNNUYSR-IAGOWNOFSA-N	0	3	312.413	2.665	20	30		DFEDHN
C[C@@]1(CNCc2cnc3c(C#N)cnn3c2)C[C@H]1c1ccccc1	ZINC000568394980	430354582	/nfs/dbraw/zinc/35/45/82/430354582.db2.gz	IMJGOUSLDKRZCI-HKUYNNGSSA-N	0	3	317.396	2.884	20	30		DFEDHN
N#Cc1c(-n2cccn2)cccc1N1CCN(C2CCCC2)CC1	ZINC000568413086	430356404	/nfs/dbraw/zinc/35/64/04/430356404.db2.gz	TWBXTAWDMRAHDC-UHFFFAOYSA-N	0	3	321.428	2.809	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccc1Cl	ZINC000569064578	430418101	/nfs/dbraw/zinc/41/81/01/430418101.db2.gz	MMKIXRRWDMRIGL-OAHLLOKOSA-N	0	3	317.820	2.958	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(OC)ccc1OC(F)F	ZINC000641759150	430464499	/nfs/dbraw/zinc/46/44/99/430464499.db2.gz	BHHOZHBBJDAHKD-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H](CO)CC#CC)cc1OC	ZINC000641767251	430466547	/nfs/dbraw/zinc/46/65/47/430466547.db2.gz	HTLQAKREXNIBGX-CQSZACIVSA-N	0	3	323.820	2.777	20	30		DFEDHN
CC(C)[C@H](CO)N(Cc1ccccc1)Cc1ccc(C#N)cn1	ZINC000569136536	430427091	/nfs/dbraw/zinc/42/70/91/430427091.db2.gz	OAMYYOZLIWBTMK-IBGZPJMESA-N	0	3	309.413	2.972	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@H](C)C1	ZINC000548826016	430503529	/nfs/dbraw/zinc/50/35/29/430503529.db2.gz	QFIYPQDOXWDCOG-INIZCTEOSA-N	0	3	313.445	2.885	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)n1	ZINC000596086861	430507450	/nfs/dbraw/zinc/50/74/50/430507450.db2.gz	BZYKMBUNDVGYKD-GOEBONIOSA-N	0	3	321.428	3.158	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(N2c3ccccc3C[C@@H]2C)CC1	ZINC000643383723	430596309	/nfs/dbraw/zinc/59/63/09/430596309.db2.gz	YDRQYNQFSTXJPV-HNAYVOBHSA-N	0	3	300.446	2.839	20	30		DFEDHN
COc1ccc(CCCNC[C@H](C#N)CCC#N)cc1OC	ZINC000554552110	430642328	/nfs/dbraw/zinc/64/23/28/430642328.db2.gz	AKGIAZMZGLVKSP-HNNXBMFYSA-N	0	3	301.390	2.670	20	30		DFEDHN
CCCC[C@@H](CCC)NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000572148912	430673699	/nfs/dbraw/zinc/67/36/99/430673699.db2.gz	IOEPCMMSXXTSGZ-OAHLLOKOSA-N	0	3	323.462	2.675	20	30		DFEDHN
C[C@@H]1CCN(CCCSCC#N)C[C@H]1C(=O)OC(C)(C)C	ZINC000572360246	430683569	/nfs/dbraw/zinc/68/35/69/430683569.db2.gz	NWVBTZIRDVWLSW-ZIAGYGMSSA-N	0	3	312.479	2.933	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000572818120	430697191	/nfs/dbraw/zinc/69/71/91/430697191.db2.gz	BWQCOUFWOGLEII-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)cc1Cl	ZINC000573072747	430699623	/nfs/dbraw/zinc/69/96/23/430699623.db2.gz	WRDXODBPUXSDNB-CABCVRRESA-N	0	3	308.809	2.910	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@]2(CCN(C)C2)C1	ZINC000661417525	430707013	/nfs/dbraw/zinc/70/70/13/430707013.db2.gz	HGGRVYUOEADYLA-JFIYKMOQSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000651143694	430718851	/nfs/dbraw/zinc/71/88/51/430718851.db2.gz	HQRANANNWPVVMH-GOSISDBHSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)NCCCN1CCCO[C@H](C)C1	ZINC000664756062	430738984	/nfs/dbraw/zinc/73/89/84/430738984.db2.gz	CKSPZFGZHRREMN-OAHLLOKOSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000651541042	430817551	/nfs/dbraw/zinc/81/75/51/430817551.db2.gz	WMJSZILFKQWMGZ-HRCADAONSA-N	0	3	317.481	2.583	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)[C@H]1CCN(C)C1	ZINC000665151016	430837278	/nfs/dbraw/zinc/83/72/78/430837278.db2.gz	NQFAIYWVLLAGMF-ROUUACIJSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C	ZINC000661760717	430833417	/nfs/dbraw/zinc/83/34/17/430833417.db2.gz	XTCKORDBJZREEK-QGZVFWFLSA-N	0	3	317.477	2.692	20	30		DFEDHN
C=CC[C@H]1CC[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1	ZINC000651694562	430852324	/nfs/dbraw/zinc/85/23/24/430852324.db2.gz	HRWLHICKZUIWIK-HOCLYGCPSA-N	0	3	302.418	2.847	20	30		DFEDHN
C=CCOCCCN[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000658210928	430843324	/nfs/dbraw/zinc/84/33/24/430843324.db2.gz	YVCKQVJDASQGSH-CYBMUJFWSA-N	0	3	306.406	2.897	20	30		DFEDHN
C=CC[C@H]1CC[C@H](NCc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000651673681	430844844	/nfs/dbraw/zinc/84/48/44/430844844.db2.gz	SZWIRSHDBHBTAS-HOCLYGCPSA-N	0	3	322.474	2.771	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000655241188	430936509	/nfs/dbraw/zinc/93/65/09/430936509.db2.gz	ZKJAOPCMMKYZRK-GOSISDBHSA-N	0	3	313.445	2.563	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)CC1	ZINC000645212654	430937058	/nfs/dbraw/zinc/93/70/58/430937058.db2.gz	PCTGSPMERJESKR-IYBDPMFKSA-N	0	3	323.481	2.672	20	30		DFEDHN
C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1	ZINC000659022757	430942843	/nfs/dbraw/zinc/94/28/43/430942843.db2.gz	SFQOLSMMUOJJJL-AWEZNQCLSA-N	0	3	315.417	2.989	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000662087959	430954205	/nfs/dbraw/zinc/95/42/05/430954205.db2.gz	RFKRJJKXVCQOSS-MELADBBJSA-N	0	3	316.367	2.970	20	30		DFEDHN
C=CCN(C)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1	ZINC000659309685	431020133	/nfs/dbraw/zinc/02/01/33/431020133.db2.gz	MPSCSCUXJZZCLG-IBGZPJMESA-N	0	3	324.424	2.780	20	30		DFEDHN
C=CCCC1(CNC(=O)[C@@H]2CNCCC2(F)F)CCCC1	ZINC000659334591	431029852	/nfs/dbraw/zinc/02/98/52/431029852.db2.gz	NUQCAUACLMDKRO-ZDUSSCGKSA-N	0	3	300.393	2.874	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cn(-c2ccccc2Cl)nc1C	ZINC000655760494	431123200	/nfs/dbraw/zinc/12/32/00/431123200.db2.gz	RIADLLXAFVBQBQ-AWEZNQCLSA-N	0	3	305.809	2.861	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1	ZINC000649341308	431070946	/nfs/dbraw/zinc/07/09/46/431070946.db2.gz	DJIGQKBNWNYOOO-UHFFFAOYSA-N	0	3	302.418	2.794	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N(C)CCN1CCCCC1	ZINC000652621626	431102611	/nfs/dbraw/zinc/10/26/11/431102611.db2.gz	PVOOXESGILURNW-UHFFFAOYSA-N	0	3	303.454	2.654	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(CCN(C)C)n1	ZINC000666185627	431143227	/nfs/dbraw/zinc/14/32/27/431143227.db2.gz	QGGZIKMETIBGNN-HUUCEWRRSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCCCN(C)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000659941334	431198788	/nfs/dbraw/zinc/19/87/88/431198788.db2.gz	NFWNZLXLQDTUJT-KRWDZBQOSA-N	0	3	302.418	2.694	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCN(C)C[C@H]2CC)cc1	ZINC000646050247	431156321	/nfs/dbraw/zinc/15/63/21/431156321.db2.gz	LQHXKEZVEMIGSG-MRXNPFEDSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@@H](CN)C(F)(F)F)CCCC1(C)C	ZINC000655926246	431221699	/nfs/dbraw/zinc/22/16/99/431221699.db2.gz	DTJXALXQONIOFK-QWRGUYRKSA-N	0	3	307.360	2.652	20	30		DFEDHN
C=C(CC)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649750964	431274513	/nfs/dbraw/zinc/27/45/13/431274513.db2.gz	CAFBLSBCFCNSHJ-OALUTQOASA-N	0	3	300.446	2.928	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000656252906	431334516	/nfs/dbraw/zinc/33/45/16/431334516.db2.gz	RZAYIKFUJFIJDC-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000660323354	431379781	/nfs/dbraw/zinc/37/97/81/431379781.db2.gz	SVLZKNBNXDJATC-KRWDZBQOSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccc(C)c(C)c2)CC1	ZINC000660704288	431558043	/nfs/dbraw/zinc/55/80/43/431558043.db2.gz	BQVMYIQJYVWART-UHFFFAOYSA-N	0	3	315.461	2.796	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cc(C)cc(C)c2)CC1	ZINC000660707466	431558675	/nfs/dbraw/zinc/55/86/75/431558675.db2.gz	PIPHKGJSBMSKJA-UHFFFAOYSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(C3CCC3)CC2)CC1	ZINC000660705840	431558969	/nfs/dbraw/zinc/55/89/69/431558969.db2.gz	GIYXEZDEKWCFCX-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ncccc2SC)CC1	ZINC000650443720	431567211	/nfs/dbraw/zinc/56/72/11/431567211.db2.gz	ONSFTCGHSRLWPM-UHFFFAOYSA-N	0	3	320.462	2.966	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000647580825	431632874	/nfs/dbraw/zinc/63/28/74/431632874.db2.gz	VTKGWPRPBXPGNL-INIZCTEOSA-N	0	3	322.474	2.720	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H]2CCCNC2=O)cc1Cl	ZINC000657284849	431647262	/nfs/dbraw/zinc/64/72/62/431647262.db2.gz	WPNSZRUFVYPUJP-ZDUSSCGKSA-N	0	3	308.809	2.521	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cc2n(n1)CCC2)C(C)C	ZINC000657307236	431664227	/nfs/dbraw/zinc/66/42/27/431664227.db2.gz	LWGDFYDPBHUQJZ-GOSISDBHSA-N	0	3	302.466	2.618	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)COC	ZINC000661242667	431792898	/nfs/dbraw/zinc/79/28/98/431792898.db2.gz	RVZNUDPCAHNRBW-LBPRGKRZSA-N	0	3	312.360	2.816	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000228222430	290008938	/nfs/dbraw/zinc/00/89/38/290008938.db2.gz	IWUPVVGOTCNXKJ-APHBMKBZSA-N	0	3	306.431	2.565	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC(=O)N(C2CC2)C1	ZINC000516579466	300349934	/nfs/dbraw/zinc/34/99/34/300349934.db2.gz	DWUWIIZEZYSZSO-YJBOKZPZSA-N	0	3	309.413	2.679	20	30		DFEDHN
CC[C@H](NCc1cccc(C(=O)OC)c1C#N)C1CCOCC1	ZINC000539425502	301342421	/nfs/dbraw/zinc/34/24/21/301342421.db2.gz	ULAFJMOBEDIYLB-KRWDZBQOSA-N	0	3	316.401	2.640	20	30		DFEDHN
COc1cccc(CCNCc2ccc(C#N)s2)c1OC	ZINC000539490387	301343618	/nfs/dbraw/zinc/34/36/18/301343618.db2.gz	AIUXCRIQPQOIRK-UHFFFAOYSA-N	0	3	302.399	2.969	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000540887188	301372390	/nfs/dbraw/zinc/37/23/90/301372390.db2.gz	ZGXDEBXGHSKEMK-LBPRGKRZSA-N	0	3	305.809	2.816	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)cc1F	ZINC000540976459	301380163	/nfs/dbraw/zinc/38/01/63/301380163.db2.gz	FFZKCRDODKBHIB-ZYHUDNBSSA-N	0	3	315.314	2.985	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@H]1n1cccn1	ZINC000550945449	301654309	/nfs/dbraw/zinc/65/43/09/301654309.db2.gz	RKZWUADXXZGREC-FCGDIQPGSA-N	0	3	322.412	2.750	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@@H]1n1cccn1	ZINC000551320153	301659508	/nfs/dbraw/zinc/65/95/08/301659508.db2.gz	CELXIOYUDBGEOT-RUGDWHBFSA-N	0	3	310.401	2.824	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)cn1	ZINC000554782856	301753366	/nfs/dbraw/zinc/75/33/66/301753366.db2.gz	UXCMOHQSHXXJND-UHFFFAOYSA-N	0	3	314.433	2.681	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1Cl	ZINC000292609056	335091993	/nfs/dbraw/zinc/09/19/93/335091993.db2.gz	HXBFLVVSRSIKRZ-KGLIPLIRSA-N	0	3	311.809	2.534	20	30		DFEDHN
CCOC[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1	ZINC000562990964	302022263	/nfs/dbraw/zinc/02/22/63/302022263.db2.gz	JLQIHHCMODPEAG-SFHVURJKSA-N	0	3	310.397	2.712	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)n1	ZINC000564942076	302175821	/nfs/dbraw/zinc/17/58/21/302175821.db2.gz	HXHVDVCEOJQMRI-HNNXBMFYSA-N	0	3	315.421	2.585	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000565584097	302231316	/nfs/dbraw/zinc/23/13/16/302231316.db2.gz	UNLICTDSDGZRAO-ZWKOTPCHSA-N	0	3	314.429	2.940	20	30		DFEDHN
CCSCC[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000566245282	302269995	/nfs/dbraw/zinc/26/99/95/302269995.db2.gz	HDPLHMFXDODOLO-GFCCVEGCSA-N	0	3	303.435	2.564	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)cn1	ZINC000567444482	302358863	/nfs/dbraw/zinc/35/88/63/302358863.db2.gz	SKDMSPFKHVQJOA-UHFFFAOYSA-N	0	3	308.429	2.953	20	30		DFEDHN
CSc1ccc2c(c1)[C@H](NCCn1cnc(C#N)n1)CCC2	ZINC000567870229	302395037	/nfs/dbraw/zinc/39/50/37/302395037.db2.gz	WISDRKTZOGPUAU-OAHLLOKOSA-N	0	3	313.430	2.539	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3cncc(C#N)n3)c2)CC1	ZINC000567885623	302396462	/nfs/dbraw/zinc/39/64/62/302396462.db2.gz	JQTXYOHRXNANBZ-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
C[C@@H](CN(C)Cc1cnc2ccc(C#N)cn12)c1nccs1	ZINC000183262920	316135364	/nfs/dbraw/zinc/13/53/64/316135364.db2.gz	ZYMLWVNQFIEOPI-LBPRGKRZSA-N	0	3	311.414	2.898	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000186819715	316203595	/nfs/dbraw/zinc/20/35/95/316203595.db2.gz	OEEJUEHCOZPQHW-QGZVFWFLSA-N	0	3	311.429	2.580	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320213258	316252456	/nfs/dbraw/zinc/25/24/56/316252456.db2.gz	SBRHMIQOBWLEHE-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
CCc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1	ZINC000321944789	316257734	/nfs/dbraw/zinc/25/77/34/316257734.db2.gz	BZCYODOCIXJLPO-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
CN(C)[C@@H](CNc1cncc(C#N)n1)c1ccc(Cl)cc1	ZINC000557633174	317874739	/nfs/dbraw/zinc/87/47/39/317874739.db2.gz	NIBGIICPVSFUOU-AWEZNQCLSA-N	0	3	301.781	2.716	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)c2ncc(C#N)cc2C)c1	ZINC000560339715	317895261	/nfs/dbraw/zinc/89/52/61/317895261.db2.gz	IJNOJJYXFVHWNJ-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)cc1C#N	ZINC000574558354	318024379	/nfs/dbraw/zinc/02/43/79/318024379.db2.gz	HJHAGEWBUUBKGI-MRXNPFEDSA-N	0	3	319.412	2.911	20	30		DFEDHN
CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1	ZINC000576444998	318126341	/nfs/dbraw/zinc/12/63/41/318126341.db2.gz	OKQAUPJYVMXFMC-KRWDZBQOSA-N	0	3	316.836	2.943	20	30		DFEDHN
N#Cc1cnn2cc(CN3CC[C@H](c4ccccc4)C3)cnc12	ZINC000578237763	318247531	/nfs/dbraw/zinc/24/75/31/318247531.db2.gz	JPQILHOCGWQOPR-INIZCTEOSA-N	0	3	303.369	2.590	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)s1	ZINC000578619554	318273304	/nfs/dbraw/zinc/27/33/04/318273304.db2.gz	WDMWWNJRKKCYGU-CYBMUJFWSA-N	0	3	306.818	2.966	20	30		DFEDHN
CC(C)(C)C1CC(NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000579702562	318348238	/nfs/dbraw/zinc/34/82/38/318348238.db2.gz	XNSVIXMXLAWUQL-UHFFFAOYSA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1ccc(CN(CCO)CC2CCCCC2)c([N+](=O)[O-])c1	ZINC000579964840	318366905	/nfs/dbraw/zinc/36/69/05/318366905.db2.gz	WCRLTXDIMNYMAO-UHFFFAOYSA-N	0	3	317.389	2.841	20	30		DFEDHN
Cc1cc(NC(=O)CCN(Cc2ccc(C#N)cc2)C2CC2)no1	ZINC000194961898	323275205	/nfs/dbraw/zinc/27/52/05/323275205.db2.gz	UAKUTZTWCFQQCH-UHFFFAOYSA-N	0	3	324.384	2.848	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000382764236	323302234	/nfs/dbraw/zinc/30/22/34/323302234.db2.gz	AIZYGPFFOLXDBJ-QGZVFWFLSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000383612181	323305082	/nfs/dbraw/zinc/30/50/82/323305082.db2.gz	APXCTSUQNWBFBC-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNCc2cccc(Cl)c2)cc1	ZINC000385792234	323312346	/nfs/dbraw/zinc/31/23/46/323312346.db2.gz	OEVSQCLDQPQRGG-INIZCTEOSA-N	0	3	316.788	2.741	20	30		DFEDHN
CC[C@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000388238322	323329426	/nfs/dbraw/zinc/32/94/26/323329426.db2.gz	ZFMXUASSCMMSJC-GOEBONIOSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC2CCCCCC2)cc1	ZINC000389485203	323335816	/nfs/dbraw/zinc/33/58/16/323335816.db2.gz	AGZRCAHVKILSGN-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000248932783	332886615	/nfs/dbraw/zinc/88/66/15/332886615.db2.gz	YALZEXRHFZYUGP-IIAWOOMASA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C	ZINC000186712294	331469337	/nfs/dbraw/zinc/46/93/37/331469337.db2.gz	BIUNBDRGGRBWKQ-WFASDCNBSA-N	0	3	303.381	2.907	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ncccc2OC(C)C)CC1	ZINC000176045114	332920599	/nfs/dbraw/zinc/92/05/99/332920599.db2.gz	SFJYWHSTQCOAPK-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1	ZINC000517840355	331973515	/nfs/dbraw/zinc/97/35/15/331973515.db2.gz	TVSSHSRREFJGKS-HNNXBMFYSA-N	0	3	316.445	2.728	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000090451419	331997624	/nfs/dbraw/zinc/99/76/24/331997624.db2.gz	WTSNZEUFCXKANU-CQSZACIVSA-N	0	3	304.390	2.887	20	30		DFEDHN
Cc1cscc1CNC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000518365341	332018435	/nfs/dbraw/zinc/01/84/35/332018435.db2.gz	IDRTYJUFJRTBHT-MRXNPFEDSA-N	0	3	316.426	2.652	20	30		DFEDHN
Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(OCCN(C)C)c1	ZINC000086298129	332020381	/nfs/dbraw/zinc/02/03/81/332020381.db2.gz	IZBIBKNTMHZAHR-CQSZACIVSA-N	0	3	318.421	2.701	20	30		DFEDHN
CN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)c(F)c1	ZINC000092808297	332131282	/nfs/dbraw/zinc/13/12/82/332131282.db2.gz	HZTOJEDHWGEEFF-UHFFFAOYSA-N	0	3	311.788	2.673	20	30		DFEDHN
COc1ccc(OC)c(CN(CCO)CC(C)(C)CCC#N)c1	ZINC000093361599	332137826	/nfs/dbraw/zinc/13/78/26/332137826.db2.gz	ZOMUBOURHMLOSO-UHFFFAOYSA-N	0	3	320.433	2.828	20	30		DFEDHN
C=CCn1cc(CN[C@H]2CCC[C@@H](c3ncccc3C)C2)nn1	ZINC000569592631	332168156	/nfs/dbraw/zinc/16/81/56/332168156.db2.gz	HFYREXBGQJUINU-CVEARBPZSA-N	0	3	311.433	2.984	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccccc1N)C(C)C	ZINC000236670272	332201593	/nfs/dbraw/zinc/20/15/93/332201593.db2.gz	ZYWDLRFDTBGSNJ-KRWDZBQOSA-N	0	3	301.434	2.697	20	30		DFEDHN
Cc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)c(C#N)cn1	ZINC000584287756	332214960	/nfs/dbraw/zinc/21/49/60/332214960.db2.gz	FRCZNOYUEMMOHU-KRWDZBQOSA-N	0	3	308.385	2.812	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccccc2OC)CC1	ZINC000255028410	332267233	/nfs/dbraw/zinc/26/72/33/332267233.db2.gz	GNVBHJOAVONNFV-HJWRWDBZSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2nc(C3CC3)oc2C)CC1	ZINC000560473656	332343582	/nfs/dbraw/zinc/34/35/82/332343582.db2.gz	LPGOVSBBBUDWPF-UHFFFAOYSA-N	0	3	303.406	2.631	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)cc1SC	ZINC000449524377	332354973	/nfs/dbraw/zinc/35/49/73/332354973.db2.gz	ZZTVANYPMRYRKJ-OLZOCXBDSA-N	0	3	309.431	2.859	20	30		DFEDHN
COc1ccc(CN[C@@]2(C)CCOC2)cc1OCCCC#N	ZINC000120240557	332384750	/nfs/dbraw/zinc/38/47/50/332384750.db2.gz	FRCCVEMMIUOXKM-KRWDZBQOSA-N	0	3	304.390	2.646	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C(C)C)nc2C)CC1	ZINC000293194483	335104725	/nfs/dbraw/zinc/10/47/25/335104725.db2.gz	VWGCJIVVFZEAGG-UHFFFAOYSA-N	0	3	301.434	2.894	20	30		DFEDHN
CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)cc1	ZINC000124166167	332432730	/nfs/dbraw/zinc/43/27/30/332432730.db2.gz	AUJJCLIKZYZRBB-AEFFLSMTSA-N	0	3	317.433	2.790	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cccc(SCC)c2)CC1	ZINC000293585783	335109871	/nfs/dbraw/zinc/10/98/71/335109871.db2.gz	BGHJAKVNAQZVDP-UHFFFAOYSA-N	0	3	316.470	2.760	20	30		DFEDHN
CCN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)CO	ZINC000293508811	335111102	/nfs/dbraw/zinc/11/11/02/335111102.db2.gz	UYRMEYBFPDDBJT-LBPRGKRZSA-N	0	3	301.308	2.639	20	30		DFEDHN
C#CCOc1ccccc1CNCCNC(=O)c1ccc(C)cc1	ZINC000052041936	332686050	/nfs/dbraw/zinc/68/60/50/332686050.db2.gz	OPBJYCBZGLZBLV-UHFFFAOYSA-N	0	3	322.408	2.527	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1sccc1SC(F)F	ZINC000491228974	333004038	/nfs/dbraw/zinc/00/40/38/333004038.db2.gz	DQSOVGFKNGMGDO-UHFFFAOYSA-N	0	3	318.414	2.748	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000185143398	335116172	/nfs/dbraw/zinc/11/61/72/335116172.db2.gz	NOJBCVHYBUBVRO-UHFFFAOYSA-N	0	3	311.429	2.642	20	30		DFEDHN
CCOc1ccc(O)c(CNCc2ccc(OCC#N)cc2)c1	ZINC000171769178	333054385	/nfs/dbraw/zinc/05/43/85/333054385.db2.gz	MATPJWYMNLNQJA-UHFFFAOYSA-N	0	3	312.369	2.983	20	30		DFEDHN
CCOc1ccc([O-])c(C[NH2+]Cc2ccc(OCC#N)cc2)c1	ZINC000171769178	333054387	/nfs/dbraw/zinc/05/43/87/333054387.db2.gz	MATPJWYMNLNQJA-UHFFFAOYSA-N	0	3	312.369	2.983	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000171889097	333055708	/nfs/dbraw/zinc/05/57/08/333055708.db2.gz	ZUWOSAIFKRITAJ-MRXNPFEDSA-N	0	3	312.417	2.800	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)CCN1C	ZINC000174714355	333089660	/nfs/dbraw/zinc/08/96/60/333089660.db2.gz	JQDPNYZAMLCZTR-BBRMVZONSA-N	0	3	300.406	2.699	20	30		DFEDHN
C#CCNC(=O)CCN1CC=C(c2cccc(Cl)c2)CC1	ZINC000294321166	335121319	/nfs/dbraw/zinc/12/13/19/335121319.db2.gz	XVROVEUNWWITNY-UHFFFAOYSA-N	0	3	302.805	2.569	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1	ZINC000294386843	335121834	/nfs/dbraw/zinc/12/18/34/335121834.db2.gz	CUHOCWQZDAXPLP-MRXNPFEDSA-N	0	3	312.457	2.789	20	30		DFEDHN
CN(C)C(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000178509812	333140029	/nfs/dbraw/zinc/14/00/29/333140029.db2.gz	MRJGYPWUHNVZIT-UHFFFAOYSA-N	0	3	313.445	2.788	20	30		DFEDHN
CC(C)(CCC#N)CN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000179505382	333151559	/nfs/dbraw/zinc/15/15/59/333151559.db2.gz	YHJIQBDZJJADPM-SFHVURJKSA-N	0	3	315.461	2.668	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)[C@@H](C)c1ccccc1	ZINC000181536101	333169873	/nfs/dbraw/zinc/16/98/73/333169873.db2.gz	XDYGABYNDRQKSZ-ARFHVFGLSA-N	0	3	301.434	2.776	20	30		DFEDHN
CN(C)C(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1	ZINC000183370671	333184355	/nfs/dbraw/zinc/18/43/55/333184355.db2.gz	PRDZGXNDSAELDV-QGZVFWFLSA-N	0	3	314.433	2.767	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCOCC3(CCC3)C2)cc1	ZINC000363915575	333201191	/nfs/dbraw/zinc/20/11/91/333201191.db2.gz	ADQDTFXXCFIFNZ-OAHLLOKOSA-N	0	3	300.402	2.980	20	30		DFEDHN
C[C@@]1(CNC(=O)C2(C#N)CCC2)CCN(Cc2ccccc2)C1	ZINC000309891902	333205603	/nfs/dbraw/zinc/20/56/03/333205603.db2.gz	MPXOCCMXXHUELU-SFHVURJKSA-N	0	3	311.429	2.709	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2cccc(CN3CCOCC3)c2)C1	ZINC000185712264	333212622	/nfs/dbraw/zinc/21/26/22/333212622.db2.gz	RUHLVDNKQQFKGZ-APWZRJJASA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2cccc(CN3CCOCC3)c2)C1	ZINC000185712226	333212665	/nfs/dbraw/zinc/21/26/65/333212665.db2.gz	RUHLVDNKQQFKGZ-LPHOPBHVSA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccccc2CN2CCOCC2)C1	ZINC000185759984	333213676	/nfs/dbraw/zinc/21/36/76/333213676.db2.gz	WMICFEHWTXWTBB-LPHOPBHVSA-N	0	3	313.445	2.691	20	30		DFEDHN
C=C(CC)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000497269300	333230280	/nfs/dbraw/zinc/23/02/80/333230280.db2.gz	ONTAXEMPRXLROG-INIZCTEOSA-N	0	3	323.481	2.580	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H](O)Cc1cccc(F)c1	ZINC000295161562	335130769	/nfs/dbraw/zinc/13/07/69/335130769.db2.gz	SGEOZZHIRLEPKC-GOSISDBHSA-N	0	3	313.372	2.531	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)CC1	ZINC000582118725	333293367	/nfs/dbraw/zinc/29/33/67/333293367.db2.gz	ITAZQOQWDLQELU-VUROTCPHSA-N	0	3	318.465	2.585	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1	ZINC000111256555	333328224	/nfs/dbraw/zinc/32/82/24/333328224.db2.gz	RAJSIXYJCOANKK-AWEZNQCLSA-N	0	3	302.418	2.598	20	30		DFEDHN
C=CC1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000111256445	333328314	/nfs/dbraw/zinc/32/83/14/333328314.db2.gz	LGRIVDLHTICXGQ-ZDUSSCGKSA-N	0	3	304.356	2.685	20	30		DFEDHN
CN(C(=O)C1(C#N)CCC1)C1CCN(Cc2ccccc2)CC1	ZINC000121180724	333347575	/nfs/dbraw/zinc/34/75/75/333347575.db2.gz	SQRWYVUCJBAUCG-UHFFFAOYSA-N	0	3	311.429	2.803	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000295928140	335138654	/nfs/dbraw/zinc/13/86/54/335138654.db2.gz	SGGFAAKPAMVAID-DOTOQJQBSA-N	0	3	316.445	2.735	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1	ZINC000295968365	335138986	/nfs/dbraw/zinc/13/89/86/335138986.db2.gz	NGDASWVJOPDDBG-UHFFFAOYSA-N	0	3	314.429	2.645	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc(C(=O)NC)cc2)cc1	ZINC000030671702	333413745	/nfs/dbraw/zinc/41/37/45/333413745.db2.gz	LTKUOXHLNTYJDE-UHFFFAOYSA-N	0	3	310.397	2.901	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1	ZINC000295992849	335139238	/nfs/dbraw/zinc/13/92/38/335139238.db2.gz	XFPVRJWUZRLLQN-CRAIPNDOSA-N	0	3	316.445	2.593	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H](C)C2=CCN(C)CC2)cc1	ZINC000295817761	335139770	/nfs/dbraw/zinc/13/97/70/335139770.db2.gz	UYIQSTKGZPZUPM-OAHLLOKOSA-N	0	3	314.429	2.561	20	30		DFEDHN
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(CC2CC2)CC1	ZINC000338843446	333499837	/nfs/dbraw/zinc/49/98/37/333499837.db2.gz	RTPSIYNACVWQKH-OAHLLOKOSA-N	0	3	317.481	2.900	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@H](C)c1cc(C)sc1C	ZINC000296593251	335144891	/nfs/dbraw/zinc/14/48/91/335144891.db2.gz	NVCCTDCAZZKFSU-CYBMUJFWSA-N	0	3	307.463	2.680	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@H](N(C)C)Cc2ccccc21)OCC	ZINC000339366957	333521762	/nfs/dbraw/zinc/52/17/62/333521762.db2.gz	QIWYARVAPGLNIC-AEFFLSMTSA-N	0	3	316.445	2.877	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21)OCC	ZINC000339366967	333521785	/nfs/dbraw/zinc/52/17/85/333521785.db2.gz	QIWYARVAPGLNIC-WMZOPIPTSA-N	0	3	316.445	2.877	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)c(O)c(C)c2C)CC1	ZINC000185659149	335145686	/nfs/dbraw/zinc/14/56/86/335145686.db2.gz	APXYEBALLAHVGI-UHFFFAOYSA-N	0	3	300.402	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccc(F)cc1	ZINC000297090388	335149231	/nfs/dbraw/zinc/14/92/31/335149231.db2.gz	ZYNHIZDTNMLPCL-KRWDZBQOSA-N	0	3	317.408	2.627	20	30		DFEDHN
OC[C@]1([C@H](NCC#Cc2cccc(Cl)c2)C2CC2)CCCO1	ZINC000339762309	333594547	/nfs/dbraw/zinc/59/45/47/333594547.db2.gz	UXHBJQQLSZFRIK-MSOLQXFVSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccsc1	ZINC000297083844	335149606	/nfs/dbraw/zinc/14/96/06/335149606.db2.gz	ZNSLVPFAPKJQCF-HNNXBMFYSA-N	0	3	305.447	2.550	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1cccc(F)c1)C(C)C	ZINC000297181801	335151435	/nfs/dbraw/zinc/15/14/35/335151435.db2.gz	BIRZMCIZFPAUBB-UHFFFAOYSA-N	0	3	319.424	2.701	20	30		DFEDHN
Cc1ccc(NC(=O)C2CCN([C@H](C)CCC#N)CC2)nc1	ZINC000411338005	333657330	/nfs/dbraw/zinc/65/73/30/333657330.db2.gz	JCTZVCCHACTWQJ-CQSZACIVSA-N	0	3	300.406	2.733	20	30		DFEDHN
C=CCSCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1	ZINC000185969182	335155330	/nfs/dbraw/zinc/15/53/30/335155330.db2.gz	NNVJINPMZKEVLJ-AWEZNQCLSA-N	0	3	313.488	2.666	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3ccccc3O2)CC1	ZINC000412037204	333724744	/nfs/dbraw/zinc/72/47/44/333724744.db2.gz	JFDJBNBRXHOXJH-SFHVURJKSA-N	0	3	314.429	2.537	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC)CC1	ZINC000413054132	333828999	/nfs/dbraw/zinc/82/89/99/333828999.db2.gz	PKGZBIDZELSJOS-GOSISDBHSA-N	0	3	315.461	2.957	20	30		DFEDHN
CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000413408586	333848343	/nfs/dbraw/zinc/84/83/43/333848343.db2.gz	IGIVLMCFNORTJY-STQMWFEESA-N	0	3	313.323	2.726	20	30		DFEDHN
CCS(=O)(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1	ZINC000343465377	335166858	/nfs/dbraw/zinc/16/68/58/335166858.db2.gz	PKZKYIPPOQASND-DZGCQCFKSA-N	0	3	306.431	2.652	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000264336636	333955884	/nfs/dbraw/zinc/95/58/84/333955884.db2.gz	AWCLBEZSIKZUNE-UHFFFAOYSA-N	0	3	312.417	2.915	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)c2ccc(CC#N)cc2)c1	ZINC000270338916	334011677	/nfs/dbraw/zinc/01/16/77/334011677.db2.gz	YXZWSXLWMBMHKI-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@@H](N2CCCC2=O)C1	ZINC000270979209	334017173	/nfs/dbraw/zinc/01/71/73/334017173.db2.gz	WZTDZULJUMWMBX-MRXNPFEDSA-N	0	3	311.429	2.684	20	30		DFEDHN
C[C@H]1[C@@H](CO)CCCN1Cc1cccc(OCCCC#N)c1	ZINC000414561045	334019276	/nfs/dbraw/zinc/01/92/76/334019276.db2.gz	BCGIJQFGWYYHPG-DOTOQJQBSA-N	0	3	302.418	2.962	20	30		DFEDHN
C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@@H]1n1ccnc1	ZINC000271283059	334020695	/nfs/dbraw/zinc/02/06/95/334020695.db2.gz	LBEFZIDDMNKOHD-YJBOKZPZSA-N	0	3	310.401	2.869	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1OC	ZINC000414563118	334020707	/nfs/dbraw/zinc/02/07/07/334020707.db2.gz	CSRMMLHTADHSOQ-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCOc1cccc(CN2CCSC[C@@H](C(=O)OC)C2)c1	ZINC000414570511	334024091	/nfs/dbraw/zinc/02/40/91/334024091.db2.gz	RROIZFAOHJTUFK-HNNXBMFYSA-N	0	3	321.442	2.589	20	30		DFEDHN
C[C@H]1CCN(C(=O)NCCCC#N)CCN1Cc1ccccc1	ZINC000273095718	334043146	/nfs/dbraw/zinc/04/31/46/334043146.db2.gz	NPAPYDOHZIBTOP-INIZCTEOSA-N	0	3	314.433	2.596	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(C2(C#N)CCC2)n1	ZINC000273837334	334051874	/nfs/dbraw/zinc/05/18/74/334051874.db2.gz	KHNNMMJCEACDGU-UHFFFAOYSA-N	0	3	312.373	2.622	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000276322630	334075773	/nfs/dbraw/zinc/07/57/73/334075773.db2.gz	PFGGXIDPSDDRDF-AWEZNQCLSA-N	0	3	300.406	2.965	20	30		DFEDHN
CN(CCCCO)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000276742185	334084846	/nfs/dbraw/zinc/08/48/46/334084846.db2.gz	ZJRACJCNDLICCE-UHFFFAOYSA-N	0	3	312.417	2.668	20	30		DFEDHN
CN1C(=O)C[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000276934816	334085626	/nfs/dbraw/zinc/08/56/26/334085626.db2.gz	AYOMHZQBOZEFMC-UKRRQHHQSA-N	0	3	309.772	2.644	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC(C)(C)C#N	ZINC000278428147	334096432	/nfs/dbraw/zinc/09/64/32/334096432.db2.gz	YRTVDNOHNWAPEH-UHFFFAOYSA-N	0	3	323.387	2.795	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)nc1	ZINC000278537980	334097705	/nfs/dbraw/zinc/09/77/05/334097705.db2.gz	FXUDDINLZTZPMU-ARFHVFGLSA-N	0	3	312.417	2.733	20	30		DFEDHN
CCN1CCN(c2cccc(NC(=O)CC(C)(C)C#N)c2)CC1	ZINC000278694890	334099850	/nfs/dbraw/zinc/09/98/50/334099850.db2.gz	FHFBMILEDCWQCE-UHFFFAOYSA-N	0	3	314.433	2.707	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)CC(C)(C)C#N	ZINC000278871124	334102553	/nfs/dbraw/zinc/10/25/53/334102553.db2.gz	ZHUMIJHNDCSBBU-UHFFFAOYSA-N	0	3	301.434	2.953	20	30		DFEDHN
COC[C@H](NCc1ccccc1C(C)(C)C#N)[C@H]1CCCO1	ZINC000279062005	334105038	/nfs/dbraw/zinc/10/50/38/334105038.db2.gz	LPRBPCOKYRRYMU-DLBZAZTESA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000279241880	334107067	/nfs/dbraw/zinc/10/70/67/334107067.db2.gz	KDKWOBXLVZGRLF-ZDUSSCGKSA-N	0	3	305.447	2.941	20	30		DFEDHN
CCCN(CC(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279322346	334107682	/nfs/dbraw/zinc/10/76/82/334107682.db2.gz	OFXXEUZBDTVNHI-AWEZNQCLSA-N	0	3	305.328	2.744	20	30		DFEDHN
CC[C@@H](CSC)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280256977	334115735	/nfs/dbraw/zinc/11/57/35/334115735.db2.gz	XKOULEDDIVOXDA-HOTGVXAUSA-N	0	3	315.442	2.841	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1=CCN(C)CC1	ZINC000281280713	334124764	/nfs/dbraw/zinc/12/47/64/334124764.db2.gz	RXFVHKFAYJXPKG-AWEZNQCLSA-N	0	3	311.429	2.868	20	30		DFEDHN
C=CCCN1CCC(OC)(c2nc(-c3ccccn3)no2)CC1	ZINC000367464161	334132333	/nfs/dbraw/zinc/13/23/33/334132333.db2.gz	QDNLINXGKBTBSX-UHFFFAOYSA-N	0	3	314.389	2.645	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)N[C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000284327025	334143115	/nfs/dbraw/zinc/14/31/15/334143115.db2.gz	KKAXDTOCZAEYAK-HFTRVMKXSA-N	0	3	301.434	2.970	20	30		DFEDHN
CCN(CC#N)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000284976040	334144873	/nfs/dbraw/zinc/14/48/73/334144873.db2.gz	DIDIAYJZZFZTMV-HNNXBMFYSA-N	0	3	321.371	2.516	20	30		DFEDHN
C[C@H](CC#N)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285351036	334147258	/nfs/dbraw/zinc/14/72/58/334147258.db2.gz	ZFWLYKRSKDUETI-HIFRSBDPSA-N	0	3	321.371	2.562	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000285625365	334148820	/nfs/dbraw/zinc/14/88/20/334148820.db2.gz	CRQOJEZSIXAESG-QAPCUYQASA-N	0	3	323.440	2.941	20	30		DFEDHN
CC(C)(C#N)CCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288869711	334162427	/nfs/dbraw/zinc/16/24/27/334162427.db2.gz	QJXMGGBIPPSWSK-GOSISDBHSA-N	0	3	304.409	2.992	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@@H](C)OC)cc1OCCCC#N	ZINC000289971951	334169992	/nfs/dbraw/zinc/16/99/92/334169992.db2.gz	YXZKVAIXSVMYKL-ZIAGYGMSSA-N	0	3	306.406	2.891	20	30		DFEDHN
C#C[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)C(C)(C)C	ZINC000290095707	334170914	/nfs/dbraw/zinc/17/09/14/334170914.db2.gz	HKSDIEYLPLAFMD-QGZVFWFLSA-N	0	3	321.428	2.996	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000343595735	335180364	/nfs/dbraw/zinc/18/03/64/335180364.db2.gz	GTXCLRRCYQIQJB-ZWKOTPCHSA-N	0	3	313.445	2.750	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CC[C@H](n3cccn3)C2)cc1	ZINC000291255340	334177570	/nfs/dbraw/zinc/17/75/70/334177570.db2.gz	MKWCXQQDCFTRHM-SFHVURJKSA-N	0	3	309.417	2.680	20	30		DFEDHN
CN(CCOCCC#N)CCc1ccc(Br)cc1	ZINC000293007853	334195216	/nfs/dbraw/zinc/19/52/16/334195216.db2.gz	HGQGQPQWCCTMPR-UHFFFAOYSA-N	0	3	311.223	2.854	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2CCOCCC#N)c(OC)c1	ZINC000293506144	334198561	/nfs/dbraw/zinc/19/85/61/334198561.db2.gz	OBFGCNVMPNHEOR-INIZCTEOSA-N	0	3	304.390	2.771	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)C1	ZINC000293592958	334199420	/nfs/dbraw/zinc/19/94/20/334199420.db2.gz	OKFNBNJCUBVEJY-KBAYOESNSA-N	0	3	302.393	2.745	20	30		DFEDHN
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(OCC#N)cc1	ZINC000293683816	334200633	/nfs/dbraw/zinc/20/06/33/334200633.db2.gz	KMEYKWRJJQJYQS-GJZGRUSLSA-N	0	3	317.433	2.792	20	30		DFEDHN
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(OCC#N)cc1	ZINC000293683810	334200646	/nfs/dbraw/zinc/20/06/46/334200646.db2.gz	KMEYKWRJJQJYQS-CABCVRRESA-N	0	3	317.433	2.792	20	30		DFEDHN
CCS(=O)(=O)C[C@@H](C)N[C@H](CCCC#N)c1ccccc1	ZINC000340443306	334202792	/nfs/dbraw/zinc/20/27/92/334202792.db2.gz	GEYNJTFQTXVUQY-GDBMZVCRSA-N	0	3	308.447	2.834	20	30		DFEDHN
CCS(=O)(=O)C[C@@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340443310	334202796	/nfs/dbraw/zinc/20/27/96/334202796.db2.gz	GEYNJTFQTXVUQY-ZBFHGGJFSA-N	0	3	308.447	2.834	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCCc1cc(C)sc1C	ZINC000294073117	334205452	/nfs/dbraw/zinc/20/54/52/334205452.db2.gz	VZRIQTVQWNSSOQ-UHFFFAOYSA-N	0	3	306.475	2.759	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)CCCC#N)N(C)C)cc1	ZINC000294162843	334206509	/nfs/dbraw/zinc/20/65/09/334206509.db2.gz	APMOCODQBYEWSW-OAHLLOKOSA-N	0	3	305.447	2.821	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)c1	ZINC000294419975	334209641	/nfs/dbraw/zinc/20/96/41/334209641.db2.gz	LNUOLRFXBDLZTB-IBGZPJMESA-N	0	3	311.429	2.838	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1	ZINC000294535277	334210707	/nfs/dbraw/zinc/21/07/07/334210707.db2.gz	JZQNAQDKEFXWGH-GUTXKFCHSA-N	0	3	302.374	2.581	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000294603629	334211377	/nfs/dbraw/zinc/21/13/77/334211377.db2.gz	NSARDUSIOWCUTH-VXGBXAGGSA-N	0	3	306.797	2.665	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](O)[C@H]2C)cc1OCCCC#N	ZINC000295010288	334215538	/nfs/dbraw/zinc/21/55/38/334215538.db2.gz	MAUAGUNUHCDWPY-GDBMZVCRSA-N	0	3	318.417	2.723	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)C12CCCN1CCC2	ZINC000414973406	334220847	/nfs/dbraw/zinc/22/08/47/334220847.db2.gz	ZMPGRVNZKSKTJZ-UHFFFAOYSA-N	0	3	314.429	2.838	20	30		DFEDHN
CCC1(CC)CN(C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000296445380	334234056	/nfs/dbraw/zinc/23/40/56/334234056.db2.gz	YXIBLOBTEHPWQO-MRXNPFEDSA-N	0	3	302.418	2.614	20	30		DFEDHN
C[C@@H](C#N)N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000297693723	334243206	/nfs/dbraw/zinc/24/32/06/334243206.db2.gz	DLILYXAFYLWEEL-DZGCQCFKSA-N	0	3	321.371	2.514	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000298524471	334249454	/nfs/dbraw/zinc/24/94/54/334249454.db2.gz	TZBXZEHIMINRRF-XIRDDKMYSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](SC)C1	ZINC000583481742	334263423	/nfs/dbraw/zinc/26/34/23/334263423.db2.gz	ZEXYGSUGMJUWHI-HZPDHXFCSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)C1CC1	ZINC000120047624	334298468	/nfs/dbraw/zinc/29/84/68/334298468.db2.gz	VOTADNFXMCQKTB-INIZCTEOSA-N	0	3	322.474	2.771	20	30		DFEDHN
CCOC(=O)[C@](C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1	ZINC000443064654	338442838	/nfs/dbraw/zinc/44/28/38/338442838.db2.gz	GPRIHJABKWTJPI-UWWQBHOKSA-N	0	3	300.402	2.789	20	30		DFEDHN
CCOC(=O)[C@](C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1	ZINC000443064645	338442868	/nfs/dbraw/zinc/44/28/68/338442868.db2.gz	GPRIHJABKWTJPI-QGPMSJSTSA-N	0	3	300.402	2.789	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1	ZINC000121676106	334354587	/nfs/dbraw/zinc/35/45/87/334354587.db2.gz	KFTBZQWHRPFYCT-QGZVFWFLSA-N	0	3	317.429	2.917	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C(C)C)n[nH]1)C(C)C	ZINC000340863028	334391107	/nfs/dbraw/zinc/39/11/07/334391107.db2.gz	QEIXALUXYYPJPG-KRWDZBQOSA-N	0	3	318.465	2.962	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(OC)cc1OC(F)F	ZINC000341266801	334427034	/nfs/dbraw/zinc/42/70/34/334427034.db2.gz	AWTDIAFUTKGNFN-NSHDSACASA-N	0	3	301.333	2.571	20	30		DFEDHN
C=CC[C@H](CO)CNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000342179236	334515057	/nfs/dbraw/zinc/51/50/57/334515057.db2.gz	KYEAWEWHVJWAIV-KRWDZBQOSA-N	0	3	316.445	2.587	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc3cc[nH]c32)CC1	ZINC000342281774	334524323	/nfs/dbraw/zinc/52/43/23/334524323.db2.gz	ICEQVTXVUQVCAJ-UHFFFAOYSA-N	0	3	312.417	2.618	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccs1)C1CC1	ZINC000342469246	334544382	/nfs/dbraw/zinc/54/43/82/334544382.db2.gz	FUDZBTPRGFWFPV-LRDDRELGSA-N	0	3	305.447	2.797	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)c2cccc(CC#N)c2)cc1	ZINC000342925999	334589443	/nfs/dbraw/zinc/58/94/43/334589443.db2.gz	NSHPUIQDDWZFKD-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CCOc1ccc(F)c(NC(=O)NC2CCN(C)CC2)c1F	ZINC000330497306	334786931	/nfs/dbraw/zinc/78/69/31/334786931.db2.gz	XMTTYSAWSCVJMN-UHFFFAOYSA-N	0	3	313.348	2.784	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)ccc1Cl	ZINC000425347846	334805427	/nfs/dbraw/zinc/80/54/27/334805427.db2.gz	DAVKZTRDPLSORC-WFASDCNBSA-N	0	3	309.793	2.807	20	30		DFEDHN
CC(C)c1nn(C)cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1	ZINC000331255323	334851762	/nfs/dbraw/zinc/85/17/62/334851762.db2.gz	YJEXTQFEOMAHCC-CQSZACIVSA-N	0	3	321.469	2.990	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C2CC2)[nH]1)C(C)C	ZINC000343675580	335187417	/nfs/dbraw/zinc/18/74/17/335187417.db2.gz	XZHDQUSSYLCPTD-MRXNPFEDSA-N	0	3	316.449	2.716	20	30		DFEDHN
CC(=O)NC1CCC(N(C)CC#Cc2ccc(F)cc2)CC1	ZINC000344084699	335216457	/nfs/dbraw/zinc/21/64/57/335216457.db2.gz	GQINTPAPBBWAAI-UHFFFAOYSA-N	0	3	302.393	2.556	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000344561891	335258484	/nfs/dbraw/zinc/25/84/84/335258484.db2.gz	WHHVYKKPUKIMCC-BBRMVZONSA-N	0	3	307.353	2.642	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCSC2)cc1OCCCC#N	ZINC000344757076	335273799	/nfs/dbraw/zinc/27/37/99/335273799.db2.gz	JKZNDJNCKFURJV-CQSZACIVSA-N	0	3	306.431	2.973	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C)n1)C(C)C	ZINC000344790012	335277451	/nfs/dbraw/zinc/27/74/51/335277451.db2.gz	RFOLVMDNYNMRPH-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1ccc(C)cc1	ZINC000113264150	335290029	/nfs/dbraw/zinc/29/00/29/335290029.db2.gz	DREXVZHMPWPZFO-SFHVURJKSA-N	0	3	313.445	2.764	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)OCC	ZINC000345073548	335296566	/nfs/dbraw/zinc/29/65/66/335296566.db2.gz	YDDAZYSCZCQPND-KURKYZTESA-N	0	3	316.445	2.572	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F	ZINC000345766031	335349876	/nfs/dbraw/zinc/34/98/76/335349876.db2.gz	QDDPVOPYWDOYNL-NXEZZACHSA-N	0	3	300.280	2.749	20	30		DFEDHN
CN(CCNC(=O)c1cn(CCCC#N)c2ccccc12)C1CC1	ZINC000345849127	335355435	/nfs/dbraw/zinc/35/54/35/335355435.db2.gz	PEYSSGVTHRRUAA-UHFFFAOYSA-N	0	3	324.428	2.769	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1	ZINC000346262532	335395863	/nfs/dbraw/zinc/39/58/63/335395863.db2.gz	ORZCNYHYNAGWKF-QWHCGFSZSA-N	0	3	305.809	2.705	20	30		DFEDHN
CC(C)CCO[C@H]1CCCC[C@@H]1NCC(=O)NC1(C#N)CCC1	ZINC000347082880	335469210	/nfs/dbraw/zinc/46/92/10/335469210.db2.gz	KWPCBPZRDRRBCE-HOTGVXAUSA-N	0	3	321.465	2.512	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)CN(CC(C)C)C1=O)C(C)C	ZINC000348139557	335556810	/nfs/dbraw/zinc/55/68/10/335556810.db2.gz	DBBXGAQPQQLCEI-MRXNPFEDSA-N	0	3	321.465	2.605	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)CN([C@H](C)CC)C1=O)C(C)C	ZINC000348479321	335589411	/nfs/dbraw/zinc/58/94/11/335589411.db2.gz	PLRBPXFVQLFGJJ-HZPDHXFCSA-N	0	3	321.465	2.748	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H](C)N(CCC)C1=O)C(C)C	ZINC000349038746	335630261	/nfs/dbraw/zinc/63/02/61/335630261.db2.gz	DBOVPLKVBFTYKQ-CVEARBPZSA-N	0	3	321.465	2.748	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](C)CO[C@@H]2CCOC2)cc1	ZINC000166433403	335683593	/nfs/dbraw/zinc/68/35/93/335683593.db2.gz	IHOWBPYSRYABCH-RLFYNMQTSA-N	0	3	303.402	2.543	20	30		DFEDHN
CC(C)(C#N)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000350514553	335758782	/nfs/dbraw/zinc/75/87/82/335758782.db2.gz	DNSBPQGHDURKQM-MRXNPFEDSA-N	0	3	314.433	2.672	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1C	ZINC000329258032	335956569	/nfs/dbraw/zinc/95/65/69/335956569.db2.gz	YGCAHTCYYJPTGL-IUODEOHRSA-N	0	3	319.453	2.624	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@@H](C)N1CCC(C)CC1)C2	ZINC000329449832	335977307	/nfs/dbraw/zinc/97/73/07/335977307.db2.gz	DKXAVBWBEROOEN-ZBFHGGJFSA-N	0	3	318.465	2.831	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCc2cc(F)ccc21	ZINC000329632864	336020506	/nfs/dbraw/zinc/02/05/06/336020506.db2.gz	WKDRHXQLRVVPHO-TZMCWYRMSA-N	0	3	314.364	2.597	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCc2cc(F)ccc21	ZINC000329632864	336020508	/nfs/dbraw/zinc/02/05/08/336020508.db2.gz	WKDRHXQLRVVPHO-TZMCWYRMSA-N	0	3	314.364	2.597	20	30		DFEDHN
C=CCCOCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000417955817	336031038	/nfs/dbraw/zinc/03/10/38/336031038.db2.gz	HIXRTUFWHVHNMV-KRWDZBQOSA-N	0	3	319.449	2.702	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(C/C=C\c2ccccc2)CC1	ZINC000351543539	336041840	/nfs/dbraw/zinc/04/18/40/336041840.db2.gz	HUANHHIXOVWFLR-JNLAIUADSA-N	0	3	300.446	2.645	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000351575148	336046400	/nfs/dbraw/zinc/04/64/00/336046400.db2.gz	QTIQYGMJMMEPHG-NXEZZACHSA-N	0	3	312.200	2.848	20	30		DFEDHN
C=CCCCCNC(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000351692684	336058953	/nfs/dbraw/zinc/05/89/53/336058953.db2.gz	NBNMAKIAKBBLDG-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
Cn1c(CNC(=O)[C@H]2CCCN2C2CCCC2)nnc1C1CC1	ZINC000329785503	336081453	/nfs/dbraw/zinc/08/14/53/336081453.db2.gz	PZYWJDOAHMDLEQ-CQSZACIVSA-N	0	3	317.437	2.556	20	30		DFEDHN
Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1	ZINC000329787229	336081556	/nfs/dbraw/zinc/08/15/56/336081556.db2.gz	YKOWNRBCFBYBLF-SWLSCSKDSA-N	0	3	300.406	2.905	20	30		DFEDHN
CC[C@@H]1CC[C@H](C(=O)NCC2(N3CCCCC3)CCOCC2)O1	ZINC000329848338	336089121	/nfs/dbraw/zinc/08/91/21/336089121.db2.gz	YZHNKNCKCLMDMX-HZPDHXFCSA-N	0	3	324.465	2.936	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000329869771	336090711	/nfs/dbraw/zinc/09/07/11/336090711.db2.gz	ZJAHJOZZKYTEBB-HUUCEWRRSA-N	0	3	323.481	2.854	20	30		DFEDHN
Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000329936461	336097177	/nfs/dbraw/zinc/09/71/77/336097177.db2.gz	DCTBRTVRNKKKKW-HNNXBMFYSA-N	0	3	304.438	2.553	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCc1cccc2c1OCO2	ZINC000329982522	336102270	/nfs/dbraw/zinc/10/22/70/336102270.db2.gz	AIVDKMVALPCJAM-IUODEOHRSA-N	0	3	316.401	2.787	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCc1cccc2c1OCO2	ZINC000329982521	336102497	/nfs/dbraw/zinc/10/24/97/336102497.db2.gz	AIVDKMVALPCJAM-DOMZBBRYSA-N	0	3	316.401	2.787	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)NC[C@@H]1CCN(C2CC2)C1	ZINC000330014032	336106002	/nfs/dbraw/zinc/10/60/02/336106002.db2.gz	MRBZZEFLARNSFC-ZDUSSCGKSA-N	0	3	303.406	2.724	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1	ZINC000330061691	336110294	/nfs/dbraw/zinc/11/02/94/336110294.db2.gz	AEVLEQGGADXTKL-GJZGRUSLSA-N	0	3	305.422	2.670	20	30		DFEDHN
C[C@@H]1CCCCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1	ZINC000330163869	336119808	/nfs/dbraw/zinc/11/98/08/336119808.db2.gz	SUNTWEJQUPHHIU-HUUCEWRRSA-N	0	3	318.417	2.905	20	30		DFEDHN
CC(C)C1CCC([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1	ZINC000330168482	336120270	/nfs/dbraw/zinc/12/02/70/336120270.db2.gz	AXFJYONRALWLLT-YMAMQOFZSA-N	0	3	304.438	2.916	20	30		DFEDHN
CC(C)C1CCC(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1	ZINC000330168482	336120272	/nfs/dbraw/zinc/12/02/72/336120272.db2.gz	AXFJYONRALWLLT-YMAMQOFZSA-N	0	3	304.438	2.916	20	30		DFEDHN
CC(C)[C@H](CC(F)(F)F)NCC(=O)NC1(C#N)CCCCC1	ZINC000445893696	338514661	/nfs/dbraw/zinc/51/46/61/338514661.db2.gz	MBXONJGBVMXXLC-LBPRGKRZSA-N	0	3	319.371	2.896	20	30		DFEDHN
Cc1nc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)sc1C	ZINC000330211670	336124824	/nfs/dbraw/zinc/12/48/24/336124824.db2.gz	DDSBTVJWCVOGEQ-ZWKOPEQDSA-N	0	3	309.435	2.894	20	30		DFEDHN
CS[C@@H]1CCCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000331897295	336151955	/nfs/dbraw/zinc/15/19/55/336151955.db2.gz	DUMQSOMYYYKIJQ-SQWLQELKSA-N	0	3	311.495	2.647	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333214985	336199837	/nfs/dbraw/zinc/19/98/37/336199837.db2.gz	QMBAIMJTJXVSDH-RVKKMQEKSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333214986	336199844	/nfs/dbraw/zinc/19/98/44/336199844.db2.gz	QMBAIMJTJXVSDH-VKJFTORMSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@]12CN(CC(=O)NC3(C#N)CCCCC3)C[C@H]1[C@@H]1CC[C@H]2C1	ZINC000333648577	336207709	/nfs/dbraw/zinc/20/77/09/336207709.db2.gz	DOCZCZMGFKYNAL-MUQADHOPSA-N	0	3	315.461	2.697	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(C3CCCCC3)C2=O)C1	ZINC000333723489	336208841	/nfs/dbraw/zinc/20/88/41/336208841.db2.gz	OICCVRDRRKECML-HLLBOEOZSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1	ZINC000352570777	336225136	/nfs/dbraw/zinc/22/51/36/336225136.db2.gz	MHWKRWYGLHAZJG-HNNXBMFYSA-N	0	3	302.418	2.713	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(OC)cc1Br	ZINC000352740406	336233249	/nfs/dbraw/zinc/23/32/49/336233249.db2.gz	WUOCRHUQVKGVSG-LLVKDONJSA-N	0	3	314.223	2.732	20	30		DFEDHN
C[C@@H]1C[C@@H](CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCO1	ZINC000352739703	336233265	/nfs/dbraw/zinc/23/32/65/336233265.db2.gz	NMGODVLYKPWEHD-AOIWGVFYSA-N	0	3	313.445	2.684	20	30		DFEDHN
C=C(C)CN(CCc1ccnn1CC)Cc1ccc(CO)o1	ZINC000352805400	336241753	/nfs/dbraw/zinc/24/17/53/336241753.db2.gz	RMYITXGVMRGXNL-UHFFFAOYSA-N	0	3	303.406	2.609	20	30		DFEDHN
C=CCNC(=O)CNC/C(C)=C\c1ccccc1OC(F)F	ZINC000352809028	336243759	/nfs/dbraw/zinc/24/37/59/336243759.db2.gz	FJOBWWGAJIQTMQ-XFXZXTDPSA-N	0	3	310.344	2.583	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1CCSCC1)C(C)C	ZINC000352846668	336276802	/nfs/dbraw/zinc/27/68/02/336276802.db2.gz	RKWHWRHOTJQMNS-INIZCTEOSA-N	0	3	310.507	2.944	20	30		DFEDHN
CC(C)N1CC[C@@H](NC(=O)C(C)C#N)[C@H]1c1ccc(F)c(F)c1	ZINC000352870592	336284656	/nfs/dbraw/zinc/28/46/56/336284656.db2.gz	PEPLQRQOIDTXGS-HFBAOOFYSA-N	0	3	321.371	2.764	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000418004077	336309613	/nfs/dbraw/zinc/30/96/13/336309613.db2.gz	BZPPCGXHNXXTGY-RCCFBDPRSA-N	0	3	322.412	2.831	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]2C(C)C)c(OC)c1	ZINC000353027641	336380556	/nfs/dbraw/zinc/38/05/56/336380556.db2.gz	OLRSMAIKSZBOLU-IRXDYDNUSA-N	0	3	319.445	2.894	20	30		DFEDHN
C=CCN(C(=O)Nc1cc(C)nn1C1CCN(C)CC1)C1CC1	ZINC000536797153	336386775	/nfs/dbraw/zinc/38/67/75/336386775.db2.gz	SCZXHYRXDKYIMJ-UHFFFAOYSA-N	0	3	317.437	2.641	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NC1CCN(CC)CC1	ZINC000111801641	336398588	/nfs/dbraw/zinc/39/85/88/336398588.db2.gz	UKINCUBYTSOPBK-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2cnc(C)s2)CC1	ZINC000112293758	336399586	/nfs/dbraw/zinc/39/95/86/336399586.db2.gz	DDRYWRQTNKXFFV-SNAWJCMRSA-N	0	3	305.447	2.621	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CCC)c2ccccn2)CC1	ZINC000353322503	336411808	/nfs/dbraw/zinc/41/18/08/336411808.db2.gz	CEVRBVGTPGSLIB-INIZCTEOSA-N	0	3	301.434	2.732	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C)C1)C(C)C	ZINC000354665408	336478150	/nfs/dbraw/zinc/47/81/50/336478150.db2.gz	QRXDVSAPUOPBKY-IXDOHACOSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000354726084	336480075	/nfs/dbraw/zinc/48/00/75/336480075.db2.gz	IQZLYYBFXHHZCK-RTBURBONSA-N	0	3	317.429	2.661	20	30		DFEDHN
C=CCC1(C(=O)N(CCC)CCN2CCN(CC)CC2)CCC1	ZINC000356584386	336555310	/nfs/dbraw/zinc/55/53/10/336555310.db2.gz	VOHWZVGKZSQUHH-UHFFFAOYSA-N	0	3	321.509	2.609	20	30		DFEDHN
C=CCN(CCOC)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000361090894	336738153	/nfs/dbraw/zinc/73/81/53/336738153.db2.gz	GXXBFHNCFYHGLS-UHFFFAOYSA-N	0	3	316.445	2.560	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC(C)C)C1(C)C	ZINC000361552432	336762091	/nfs/dbraw/zinc/76/20/91/336762091.db2.gz	TVRFNFHJTJHMLY-ARFHVFGLSA-N	0	3	310.482	2.981	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000362370853	336793958	/nfs/dbraw/zinc/79/39/58/336793958.db2.gz	NSFYCQPJHKJXNW-RHSMWYFYSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000362681100	336808859	/nfs/dbraw/zinc/80/88/59/336808859.db2.gz	ZLWONOUMIQPXDV-AWEZNQCLSA-N	0	3	319.474	2.974	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](C)CN1	ZINC000418206761	336905361	/nfs/dbraw/zinc/90/53/61/336905361.db2.gz	ASPGZDUUQYMTPN-INMHGKMJSA-N	0	3	314.433	2.813	20	30		DFEDHN
C#CCCCCC(=O)Nc1cnn(CCN2CCCCC2)c1	ZINC000120355448	336908780	/nfs/dbraw/zinc/90/87/80/336908780.db2.gz	FHYUPACGBQDIMH-UHFFFAOYSA-N	0	3	302.422	2.501	20	30		DFEDHN
CC#CCCCC(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000372010520	336918919	/nfs/dbraw/zinc/91/89/19/336918919.db2.gz	PDTKNCXOTIHIIJ-UHFFFAOYSA-N	0	3	313.445	2.950	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(Cc2ccc(OCC)cc2)CC1	ZINC000121511637	336961757	/nfs/dbraw/zinc/96/17/57/336961757.db2.gz	ZOBBOZNEXKJDTO-GOSISDBHSA-N	0	3	318.461	2.530	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1	ZINC000375721743	337017736	/nfs/dbraw/zinc/01/77/36/337017736.db2.gz	WUWNHQYDEMXQMR-FRFSOERESA-N	0	3	315.392	2.993	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@H]1CCCN1CCc1ccccc1	ZINC000376110263	337027252	/nfs/dbraw/zinc/02/72/52/337027252.db2.gz	FJJXIQAQRJDXBX-QGZVFWFLSA-N	0	3	313.445	2.750	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000376777154	337040816	/nfs/dbraw/zinc/04/08/16/337040816.db2.gz	GJMPDQQUEKIROF-ZBFHGGJFSA-N	0	3	302.393	2.566	20	30		DFEDHN
CCC[C@@]1(CO)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000377838736	337062322	/nfs/dbraw/zinc/06/23/22/337062322.db2.gz	BPQQEBGTOSCGMU-MAUKXSAKSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2csc(CC(C)C)n2)CC1	ZINC000171717470	337088699	/nfs/dbraw/zinc/08/86/99/337088699.db2.gz	UXUQUCKLLVJCLM-UHFFFAOYSA-N	0	3	307.463	2.722	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3c2cc(F)cc3F)CC1	ZINC000171741581	337089045	/nfs/dbraw/zinc/08/90/45/337089045.db2.gz	UWDBAWZREBGGQK-UHFFFAOYSA-N	0	3	321.371	2.687	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(c3cccc(F)c3)CC2)CC1	ZINC000172217632	337091330	/nfs/dbraw/zinc/09/13/30/337091330.db2.gz	TXOMAUDFNUEXIK-UHFFFAOYSA-N	0	3	302.393	2.624	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1	ZINC000172726643	337130620	/nfs/dbraw/zinc/13/06/20/337130620.db2.gz	VMTNTCFKLIREGD-UHFFFAOYSA-N	0	3	311.385	2.897	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1	ZINC000177184962	337154186	/nfs/dbraw/zinc/15/41/86/337154186.db2.gz	FQVJMNUZMOUYGU-DZGCQCFKSA-N	0	3	300.402	2.606	20	30		DFEDHN
CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n(C)n1	ZINC000177588542	337157907	/nfs/dbraw/zinc/15/79/07/337157907.db2.gz	QDPVPBMDCKCRDU-NSHDSACASA-N	0	3	307.357	2.910	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](C(=O)NC)C(C)C)ccc1OC	ZINC000178950400	337166679	/nfs/dbraw/zinc/16/66/79/337166679.db2.gz	PNHAEYNOQOOAIR-KRWDZBQOSA-N	0	3	320.433	2.510	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1	ZINC000180893748	337178390	/nfs/dbraw/zinc/17/83/90/337178390.db2.gz	CQBANAGKWQHUMO-LSDHHAIUSA-N	0	3	307.397	2.537	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2sccc2COC)CC1	ZINC000181621921	337183447	/nfs/dbraw/zinc/18/34/47/337183447.db2.gz	UFPGQAHYOOLCBK-UHFFFAOYSA-N	0	3	308.447	2.665	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000183280210	337192796	/nfs/dbraw/zinc/19/27/96/337192796.db2.gz	LCMMMUBPVWSVPL-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000321068150	337193234	/nfs/dbraw/zinc/19/32/34/337193234.db2.gz	ZLCVGFXWYMDEEZ-ZDUSSCGKSA-N	0	3	311.809	2.918	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000183910780	337195400	/nfs/dbraw/zinc/19/54/00/337195400.db2.gz	XNQYEPPIMCKWHX-RDJZCZTQSA-N	0	3	317.408	2.846	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@H](c2c(F)cccc2F)C1	ZINC000185300059	337203969	/nfs/dbraw/zinc/20/39/69/337203969.db2.gz	VNESPZQOYWNNMY-ZDUSSCGKSA-N	0	3	321.371	2.516	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@@H](c2c(F)cccc2F)C1	ZINC000185300074	337204006	/nfs/dbraw/zinc/20/40/06/337204006.db2.gz	VNESPZQOYWNNMY-CYBMUJFWSA-N	0	3	321.371	2.516	20	30		DFEDHN
CCO[C@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(CC)CC	ZINC000187047126	337261405	/nfs/dbraw/zinc/26/14/05/337261405.db2.gz	OTZJRXZTNWVFBF-ZOBUZTSGSA-N	0	3	323.481	2.614	20	30		DFEDHN
C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1ccncc1	ZINC000187661963	337267871	/nfs/dbraw/zinc/26/78/71/337267871.db2.gz	RNERZKZTCBPERJ-CYBMUJFWSA-N	0	3	315.446	2.570	20	30		DFEDHN
C=C(C)COCCNCc1cnn(Cc2ccc(F)cc2)c1	ZINC000189299775	337277197	/nfs/dbraw/zinc/27/71/97/337277197.db2.gz	FCXRIPXSQOBQEH-UHFFFAOYSA-N	0	3	303.381	2.753	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1C)C(C)C	ZINC000191697642	337300619	/nfs/dbraw/zinc/30/06/19/337300619.db2.gz	HNSVWHOZFTXGKH-BBWFWOEESA-N	0	3	308.466	2.616	20	30		DFEDHN
C#CCCCC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000192153520	337303342	/nfs/dbraw/zinc/30/33/42/337303342.db2.gz	DQDIDZXKNQIORN-IRXDYDNUSA-N	0	3	320.477	2.528	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1	ZINC000398164779	337307748	/nfs/dbraw/zinc/30/77/48/337307748.db2.gz	LZXWDNFNDFYXLM-QXCFYTAISA-N	0	3	311.429	2.705	20	30		DFEDHN
COc1ccnc(NC2CCN(CCCC(C)(C)C#N)CC2)n1	ZINC000192859495	337307914	/nfs/dbraw/zinc/30/79/14/337307914.db2.gz	RHJKPMCYWVLPCE-UHFFFAOYSA-N	0	3	317.437	2.691	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cccc(-n3cccn3)c2C#N)CN1C1CC1	ZINC000584421244	337323890	/nfs/dbraw/zinc/32/38/90/337323890.db2.gz	IQHGJHIOKKSYCM-UONOGXRCSA-N	0	3	307.401	2.781	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(NC(=O)c2ccc(C)s2)CC1	ZINC000305069914	337386963	/nfs/dbraw/zinc/38/69/63/337386963.db2.gz	IYZFITHGNHKPGC-HNNXBMFYSA-N	0	3	322.474	2.578	20	30		DFEDHN
Cc1nn(C)c(C)c1CCNC1CC(C#N)(c2ccccc2)C1	ZINC000125696267	337413452	/nfs/dbraw/zinc/41/34/52/337413452.db2.gz	JEJHHHRAAGPSFD-UHFFFAOYSA-N	0	3	308.429	2.793	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cc(C)nc(C)c2)CC1	ZINC000420788814	337510871	/nfs/dbraw/zinc/51/08/71/337510871.db2.gz	LGHUQIFKEGSPQK-UHFFFAOYSA-N	0	3	316.449	2.538	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(CC)CC	ZINC000249452717	337570371	/nfs/dbraw/zinc/57/03/71/337570371.db2.gz	OTZJRXZTNWVFBF-ZMSDIMECSA-N	0	3	323.481	2.614	20	30		DFEDHN
C=CCOc1cccc(CN2CCNC[C@H]2c2cccnc2)c1	ZINC000261688929	337608612	/nfs/dbraw/zinc/60/86/12/337608612.db2.gz	IJXNBISHTMXDAA-IBGZPJMESA-N	0	3	309.413	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(F)(F)c2ccccc2F)CC1	ZINC000270787939	337642222	/nfs/dbraw/zinc/64/22/22/337642222.db2.gz	FWVJHELFRGYKKL-UHFFFAOYSA-N	0	3	312.335	2.684	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@@H]2CCCCN2C1=O)C(C)C	ZINC000272261674	337647766	/nfs/dbraw/zinc/64/77/66/337647766.db2.gz	MGGZHQCWSPJTEE-HOTGVXAUSA-N	0	3	319.449	2.502	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000424058970	337730975	/nfs/dbraw/zinc/73/09/75/337730975.db2.gz	ATUHPRFGDZSMSM-LSDHHAIUSA-N	0	3	305.809	2.928	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)C12CC3CC(CC(C3)C1)C2	ZINC000424071724	337731141	/nfs/dbraw/zinc/73/11/41/337731141.db2.gz	BZPFDESOGDDPBZ-HANOVZDXSA-N	0	3	303.450	2.729	20	30		DFEDHN
CCCCOc1cccc(CNC(=O)[C@H](N)CCCC#N)c1	ZINC000424082622	337732038	/nfs/dbraw/zinc/73/20/38/337732038.db2.gz	AGRKOUXDHNYNSO-MRXNPFEDSA-N	0	3	303.406	2.503	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1	ZINC000424127342	337749855	/nfs/dbraw/zinc/74/98/55/337749855.db2.gz	QLCFZQSFEMVSJI-CQSZACIVSA-N	0	3	305.353	2.717	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)o1	ZINC000527577661	337751554	/nfs/dbraw/zinc/75/15/54/337751554.db2.gz	KZALTMIIWDNEFQ-HOCLYGCPSA-N	0	3	315.417	2.783	20	30		DFEDHN
Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](N)CCCC#N	ZINC000424139634	337760577	/nfs/dbraw/zinc/76/05/77/337760577.db2.gz	ROHQVEWUZASZMR-HNNXBMFYSA-N	0	3	300.406	2.555	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1	ZINC000424159758	337786145	/nfs/dbraw/zinc/78/61/45/337786145.db2.gz	AJGPDKJEZGZSTP-HZPDHXFCSA-N	0	3	300.406	2.546	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H](CO)Cc1ccco1	ZINC000533186759	337833722	/nfs/dbraw/zinc/83/37/22/337833722.db2.gz	BUCFEGOXJDTKKL-OAHLLOKOSA-N	0	3	301.386	2.785	20	30		DFEDHN
CCCN(CC#N)Cc1ccccc1N1CCN(CC)CC1	ZINC000092398398	337903811	/nfs/dbraw/zinc/90/38/11/337903811.db2.gz	BZZLJJWTUUPPIN-UHFFFAOYSA-N	0	3	300.450	2.564	20	30		DFEDHN
OCC[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000426214788	338023061	/nfs/dbraw/zinc/02/30/61/338023061.db2.gz	HBZMQINLBRPTAV-CQSZACIVSA-N	0	3	313.319	2.784	20	30		DFEDHN
Cc1cc(Br)c2c(c1)CN(C(=O)C(C)C#N)CC2	ZINC000428268895	338044995	/nfs/dbraw/zinc/04/49/95/338044995.db2.gz	SINGCJHVZMZMER-JTQLQIEISA-N	0	3	307.191	2.802	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](CO)CC(F)F)ccc1OC	ZINC000428640593	338057577	/nfs/dbraw/zinc/05/75/77/338057577.db2.gz	CACTYYSACGTPQV-ZDUSSCGKSA-N	0	3	315.360	2.756	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cc(F)ccc1C	ZINC000429710116	338088010	/nfs/dbraw/zinc/08/80/10/338088010.db2.gz	UTZSGBNFPPNJIU-HNNXBMFYSA-N	0	3	321.440	2.901	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(C)c(F)c1	ZINC000429720454	338088256	/nfs/dbraw/zinc/08/82/56/338088256.db2.gz	WCDSMHDALAGWFE-OAHLLOKOSA-N	0	3	321.440	2.901	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C	ZINC000429716109	338088285	/nfs/dbraw/zinc/08/82/85/338088285.db2.gz	JVNSGOABBZRLPP-BBWFWOEESA-N	0	3	309.498	2.510	20	30		DFEDHN
C=CCC[C@@H](O)CN(CCc1ccccn1)Cc1cccnc1	ZINC000430331910	338105166	/nfs/dbraw/zinc/10/51/66/338105166.db2.gz	MMCRJTBAWUVJRJ-LJQANCHMSA-N	0	3	311.429	2.848	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1	ZINC000430441626	338107320	/nfs/dbraw/zinc/10/73/20/338107320.db2.gz	OWXXBSNFBUPULF-MRXNPFEDSA-N	0	3	314.433	2.591	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCOc1ccccc1	ZINC000433108997	338182045	/nfs/dbraw/zinc/18/20/45/338182045.db2.gz	JHTXGMCNGXNVES-KRWDZBQOSA-N	0	3	308.381	2.954	20	30		DFEDHN
COC[C@@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCO1	ZINC000433208472	338185867	/nfs/dbraw/zinc/18/58/67/338185867.db2.gz	NMLPSAUDNHRRSL-QZTJIDSGSA-N	0	3	318.417	2.653	20	30		DFEDHN
CN(CCc1ccncc1)C(=O)C(C#N)CCc1ccccc1	ZINC000433306198	338190893	/nfs/dbraw/zinc/19/08/93/338190893.db2.gz	RTOZCGDTLNHVHB-GOSISDBHSA-N	0	3	307.397	2.855	20	30		DFEDHN
CC(C)CCOCCNC(=O)C(C#N)CCc1ccccc1	ZINC000433320406	338192213	/nfs/dbraw/zinc/19/22/13/338192213.db2.gz	UIXOAZGQYXMJKZ-QGZVFWFLSA-N	0	3	302.418	2.938	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCC[C@H]1O	ZINC000433378172	338194340	/nfs/dbraw/zinc/19/43/40/338194340.db2.gz	PKIVWNOXOZLECF-ZHALLVOQSA-N	0	3	314.429	2.816	20	30		DFEDHN
CCC1(CO)CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000433383731	338194426	/nfs/dbraw/zinc/19/44/26/338194426.db2.gz	ISDPWVSALHYLCD-KRWDZBQOSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1	ZINC000433415176	338194918	/nfs/dbraw/zinc/19/49/18/338194918.db2.gz	QUGDOBYOIZFPDF-HOTGVXAUSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)CC1	ZINC000433903264	338204523	/nfs/dbraw/zinc/20/45/23/338204523.db2.gz	HCAKWBDNWBTOQN-LBPRGKRZSA-N	0	3	319.371	2.621	20	30		DFEDHN
C=CCOc1cccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000435059757	338231266	/nfs/dbraw/zinc/23/12/66/338231266.db2.gz	IMOVMGMUGDUYCR-CALCHBBNSA-N	0	3	318.461	2.792	20	30		DFEDHN
C=CCN(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2	ZINC000154788624	338252581	/nfs/dbraw/zinc/25/25/81/338252581.db2.gz	QANMHRPYGOGMJO-UHFFFAOYSA-N	0	3	313.401	2.866	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1	ZINC000438240992	338337712	/nfs/dbraw/zinc/33/77/12/338337712.db2.gz	WKHUPHLNJMGXDO-JKIFEVAISA-N	0	3	316.401	2.588	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000438324299	338339648	/nfs/dbraw/zinc/33/96/48/338339648.db2.gz	FEQLYSXTEGVXMA-INIZCTEOSA-N	0	3	318.461	2.528	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCN1C	ZINC000438857803	338354003	/nfs/dbraw/zinc/35/40/03/338354003.db2.gz	NGSRCLMNARLLIV-PVAVHDDUSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCCO[C@@H](CC)C1	ZINC000439474065	338370773	/nfs/dbraw/zinc/37/07/73/338370773.db2.gz	MVRYSEWSWIKCEG-ROUUACIJSA-N	0	3	319.445	2.656	20	30		DFEDHN
CC(C)(C)OC(=O)CN[C@]1(C)CCN(CCCC(C)(C)C#N)C1	ZINC000440523387	338389137	/nfs/dbraw/zinc/38/91/37/338389137.db2.gz	YVMOGOLLMAEYGM-GOSISDBHSA-N	0	3	323.481	2.712	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000442634429	338426380	/nfs/dbraw/zinc/42/63/80/338426380.db2.gz	GXIFXQKKBNELQV-UHOSZYNNSA-N	0	3	313.445	2.650	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(F)cc(Br)c1	ZINC000449205015	338602306	/nfs/dbraw/zinc/60/23/06/338602306.db2.gz	NLUGIKVEPKJHOE-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCCCC1	ZINC000448977699	338581679	/nfs/dbraw/zinc/58/16/79/338581679.db2.gz	ZNEMAZFSQWJJAC-KRWDZBQOSA-N	0	3	321.509	2.655	20	30		DFEDHN
CC1(C#N)CCC(NCCS(=O)(=O)c2ccccc2)CC1	ZINC000449089696	338592347	/nfs/dbraw/zinc/59/23/47/338592347.db2.gz	DYHULLWAWBLBSV-UHFFFAOYSA-N	0	3	306.431	2.522	20	30		DFEDHN
C=CCC1(CNCc2cn(Cc3cccnc3)nn2)CCCC1	ZINC000449607052	338640587	/nfs/dbraw/zinc/64/05/87/338640587.db2.gz	VJLXVSIETQJVJI-UHFFFAOYSA-N	0	3	311.433	2.948	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C#N)C[C@@H]2C)CC1	ZINC000449876761	338656806	/nfs/dbraw/zinc/65/68/06/338656806.db2.gz	MHYUGCUVAIKQTL-QMTMVMCOSA-N	0	3	311.429	2.878	20	30		DFEDHN
CC(C)O[C@H]1C[C@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000451487303	338736570	/nfs/dbraw/zinc/73/65/70/338736570.db2.gz	BMALEYBSMNTNGT-GJZGRUSLSA-N	0	3	321.465	2.511	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1(C)C	ZINC000451505631	338736989	/nfs/dbraw/zinc/73/69/89/338736989.db2.gz	TVHBHRVBQLWYRT-OIPACUDHSA-N	0	3	323.481	2.611	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000451604939	338740222	/nfs/dbraw/zinc/74/02/22/338740222.db2.gz	IZYKNMIFPQIUAC-OJDYBEQGSA-N	0	3	322.836	2.839	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccccc1	ZINC000451675294	338741663	/nfs/dbraw/zinc/74/16/63/338741663.db2.gz	CEEWHONMAMTQRY-OIISXLGYSA-N	0	3	302.418	2.529	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)C1CC1	ZINC000451682427	338741893	/nfs/dbraw/zinc/74/18/93/338741893.db2.gz	PBNBVVIINISTGK-AOIWGVFYSA-N	0	3	314.429	2.577	20	30		DFEDHN
C=CCc1cc(CNCCc2cnc(C)cn2)cc(OC)c1O	ZINC000453604295	338850140	/nfs/dbraw/zinc/85/01/40/338850140.db2.gz	YXVBQHWUSNTPJB-UHFFFAOYSA-N	0	3	313.401	2.560	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456695302	338937350	/nfs/dbraw/zinc/93/73/50/338937350.db2.gz	OPFYLAUVCHLUJJ-RDTXWAMCSA-N	0	3	305.466	2.895	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCC(C)(C)CC#N)c1ccccc1	ZINC000457430045	338963310	/nfs/dbraw/zinc/96/33/10/338963310.db2.gz	ZDTYGAOEZQZYHN-OAHLLOKOSA-N	0	3	302.422	2.528	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(C)(C)C#N)C(C)C	ZINC000457748722	338977275	/nfs/dbraw/zinc/97/72/75/338977275.db2.gz	MXBOJLNIUXVWBF-MRXNPFEDSA-N	0	3	320.481	2.876	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NCC(C)(C)CC#N)N(C)C)cc1	ZINC000458040246	338986769	/nfs/dbraw/zinc/98/67/69/338986769.db2.gz	BDYQACDMLVTAIV-INIZCTEOSA-N	0	3	316.449	2.837	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000458781792	339005270	/nfs/dbraw/zinc/00/52/70/339005270.db2.gz	TYYCCEBPICYLFZ-NVXWUHKLSA-N	0	3	301.434	2.651	20	30		DFEDHN
C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1	ZINC000459005078	339010929	/nfs/dbraw/zinc/01/09/29/339010929.db2.gz	QFSGTAQWTZTYIY-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NC(=O)N(CCC)CCN1CCCCCC1	ZINC000459027498	339011616	/nfs/dbraw/zinc/01/16/16/339011616.db2.gz	NADPAYDSPWSIAY-SJORKVTESA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CCCC1	ZINC000459056589	339012284	/nfs/dbraw/zinc/01/22/84/339012284.db2.gz	WLNMNYFFANXTIJ-INIZCTEOSA-N	0	3	303.450	2.779	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(Cl)c2C)nc(C)n1	ZINC000459283314	339019249	/nfs/dbraw/zinc/01/92/49/339019249.db2.gz	FAUWPBSEHPECSA-NSHDSACASA-N	0	3	300.749	2.940	20	30		DFEDHN
N#C[C@H]1CCC[C@H]1NCCCCCn1nnc(-c2ccccc2)n1	ZINC000459471105	339031250	/nfs/dbraw/zinc/03/12/50/339031250.db2.gz	VBAFFXDBHDCNGY-IAGOWNOFSA-N	0	3	324.432	2.792	20	30		DFEDHN
C=CCC[C@H](NC1CCN(c2ccncc2)CC1)C(=O)OCC	ZINC000459574214	339036650	/nfs/dbraw/zinc/03/66/50/339036650.db2.gz	RXUNADSMQLKKPS-KRWDZBQOSA-N	0	3	317.433	2.538	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000461952878	339069635	/nfs/dbraw/zinc/06/96/35/339069635.db2.gz	DDAORNXWVXLIKE-IRXDYDNUSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000488862558	339795315	/nfs/dbraw/zinc/79/53/15/339795315.db2.gz	RSQYVVVOXYHPMR-GOSISDBHSA-N	0	3	308.466	2.571	20	30		DFEDHN
C[C@H](C#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000489298176	339805399	/nfs/dbraw/zinc/80/53/99/339805399.db2.gz	UKKDWKJRQNLFHJ-CQSZACIVSA-N	0	3	301.390	2.649	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000491615330	339868582	/nfs/dbraw/zinc/86/85/82/339868582.db2.gz	CJHHEXIOSUBPPX-XJKSGUPXSA-N	0	3	319.474	2.674	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](CCNC[C@@H](C#N)CCC#N)C1	ZINC000496290221	340002251	/nfs/dbraw/zinc/00/22/51/340002251.db2.gz	GGCULGPNFOUHHB-HUUCEWRRSA-N	0	3	320.437	2.667	20	30		DFEDHN
C=CCN1CCC([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1	ZINC000496640779	340009540	/nfs/dbraw/zinc/00/95/40/340009540.db2.gz	DCHJAJPYSPNXIC-JKSUJKDBSA-N	0	3	324.465	2.957	20	30		DFEDHN
C=C1CCN(C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000496663524	340010076	/nfs/dbraw/zinc/01/00/76/340010076.db2.gz	OWLMMKFEWAMODM-MRXNPFEDSA-N	0	3	324.465	2.646	20	30		DFEDHN
CC#CCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000496703845	340010894	/nfs/dbraw/zinc/01/08/94/340010894.db2.gz	VIWRBPAQSVERKX-QGZVFWFLSA-N	0	3	300.402	2.648	20	30		DFEDHN
C#CC[C@H](CC(F)(F)F)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000496913540	340016019	/nfs/dbraw/zinc/01/60/19/340016019.db2.gz	TTYLYJNXTMGYDN-WDEREUQCSA-N	0	3	308.344	2.834	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)NCC1(C#N)CCC1	ZINC000517718451	340475930	/nfs/dbraw/zinc/47/59/30/340475930.db2.gz	VRHGTKKHZSIKDB-UHFFFAOYSA-N	0	3	316.405	2.572	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c(OC)c2C)CC1	ZINC000194049860	340588455	/nfs/dbraw/zinc/58/84/55/340588455.db2.gz	IISKSXYWMKVCRQ-UHFFFAOYSA-N	0	3	300.402	2.596	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCc3c2cccc3Cl)CC1	ZINC000194671107	340594650	/nfs/dbraw/zinc/59/46/50/340594650.db2.gz	KDRMXESGUAJXJV-QGZVFWFLSA-N	0	3	316.832	2.789	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](F)C1)C(C)C	ZINC000572528970	340676150	/nfs/dbraw/zinc/67/61/50/340676150.db2.gz	DAVQUVWMSACRFY-JKSUJKDBSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](OC)c2ccc(F)cc2)CC1	ZINC000528449721	340719683	/nfs/dbraw/zinc/71/96/83/340719683.db2.gz	PRMHXFAANMBDQY-QGZVFWFLSA-N	0	3	320.408	2.670	20	30		DFEDHN
COC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000541595920	340976800	/nfs/dbraw/zinc/97/68/00/340976800.db2.gz	WLZRSCGEZWOOPO-DOTOQJQBSA-N	0	3	317.433	2.582	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CC#N)CC1	ZINC000542846222	341023204	/nfs/dbraw/zinc/02/32/04/341023204.db2.gz	HFUZPZQNGCIZNR-MRXNPFEDSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC(CC#N)CC1	ZINC000542846218	341023224	/nfs/dbraw/zinc/02/32/24/341023224.db2.gz	HFUZPZQNGCIZNR-INIZCTEOSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#CCc1cccc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)c1	ZINC000545844484	341143088	/nfs/dbraw/zinc/14/30/88/341143088.db2.gz	AEMTVOICPQXUCN-GASCZTMLSA-N	0	3	321.384	2.658	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C1CCOCC1)C(C)C	ZINC000134167288	341208252	/nfs/dbraw/zinc/20/82/52/341208252.db2.gz	YRCJCXMTXIDNDD-FUHWJXTLSA-N	0	3	322.493	2.864	20	30		DFEDHN
N#CCSc1cccc(C(=O)NCCN2CCCCC2)c1	ZINC000079531224	341260736	/nfs/dbraw/zinc/26/07/36/341260736.db2.gz	JPYUKTHMMHPTSX-UHFFFAOYSA-N	0	3	303.431	2.518	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)N(C)C1CC1	ZINC000079540991	341260949	/nfs/dbraw/zinc/26/09/49/341260949.db2.gz	UKQZLAVGTIBCPS-LBPRGKRZSA-N	0	3	303.431	2.515	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC(C)(C)C(F)(F)F)CC1	ZINC000549045167	341284612	/nfs/dbraw/zinc/28/46/12/341284612.db2.gz	SYRBNEWVBKLQJK-UHFFFAOYSA-N	0	3	321.387	2.915	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000246574343	341353808	/nfs/dbraw/zinc/35/38/08/341353808.db2.gz	LOZZMTWZVFPGMT-DLBZAZTESA-N	0	3	314.433	2.815	20	30		DFEDHN
C=C(C)CCN1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000552088515	341368784	/nfs/dbraw/zinc/36/87/84/341368784.db2.gz	WKUBKNWUMGIFBU-UHFFFAOYSA-N	0	3	302.418	2.542	20	30		DFEDHN
C=CC[C@@H](C(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1	ZINC000249536286	341398984	/nfs/dbraw/zinc/39/89/84/341398984.db2.gz	CMOFGIFXWXKHJK-ZWKOTPCHSA-N	0	3	316.445	2.573	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)[C@@]2(C#N)CC23CCCC3)cc1	ZINC000565931488	341542882	/nfs/dbraw/zinc/54/28/82/341542882.db2.gz	KXCCSNODRRMJEM-IBGZPJMESA-N	0	3	311.429	2.838	20	30		DFEDHN
C=CCN1CCC(Nc2cc(SC)nc(SC)n2)CC1	ZINC000568243490	341660745	/nfs/dbraw/zinc/66/07/45/341660745.db2.gz	CLOPWBKKJVOSTK-UHFFFAOYSA-N	0	3	310.492	2.983	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282256856	500576723	/nfs/dbraw/zinc/57/67/23/500576723.db2.gz	CKUJFIYCPHNYNP-MSOLQXFVSA-N	0	3	312.413	2.506	20	30		DFEDHN
COc1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)ccc1C#N	ZINC000281449073	500840390	/nfs/dbraw/zinc/84/03/90/500840390.db2.gz	ACORCLBBMYRHDC-HNNXBMFYSA-N	0	3	309.369	2.835	20	30		DFEDHN
COc1cccc([C@@H](CNc2cc(C#N)cc(C)n2)N(C)C)c1	ZINC000323646914	533720959	/nfs/dbraw/zinc/72/09/59/533720959.db2.gz	HWRVNAIZBZUBNN-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)nn1	ZINC000302007578	534795918	/nfs/dbraw/zinc/79/59/18/534795918.db2.gz	USZFVVOXCZLJFQ-CYBMUJFWSA-N	0	3	313.430	2.734	20	30		DFEDHN
C[C@H](Cc1nc(-c2ccccc2)no1)NCc1cc(C#N)n(C)c1	ZINC000365160548	524764768	/nfs/dbraw/zinc/76/47/68/524764768.db2.gz	XSVGWCHUVUYBBH-CYBMUJFWSA-N	0	3	321.384	2.668	20	30		DFEDHN
Cc1ccnc(C2CCN(CCOc3cccc(C#N)c3)CC2)n1	ZINC000363807855	525639977	/nfs/dbraw/zinc/63/99/77/525639977.db2.gz	ZUBUCEAKXOVDGQ-UHFFFAOYSA-N	0	3	322.412	2.915	20	30		DFEDHN
N#Cc1cnccc1NCC1CCN(Cc2ccccc2F)CC1	ZINC000364903373	526536734	/nfs/dbraw/zinc/53/67/34/526536734.db2.gz	CRIDISLRORBUSC-UHFFFAOYSA-N	0	3	324.403	2.838	20	30		DFEDHN
CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccncc1	ZINC000321417529	528401044	/nfs/dbraw/zinc/40/10/44/528401044.db2.gz	CCYACTNDOKRIAM-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000362913200	535290614	/nfs/dbraw/zinc/29/06/14/535290614.db2.gz	PWVFOXHJUSXAFG-GOSISDBHSA-N	0	3	313.445	2.995	20	30		DFEDHN
COC1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1	ZINC000361510215	536627353	/nfs/dbraw/zinc/62/73/53/536627353.db2.gz	ZSEIWCHNSIUZQT-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
C=CC[C@H](CO)NCc1cnn(Cc2ccccc2Cl)c1	ZINC000680484551	545501092	/nfs/dbraw/zinc/50/10/92/545501092.db2.gz	MEOMQDOMKLFAGE-OAHLLOKOSA-N	0	3	305.809	2.611	20	30		DFEDHN
C=CCCOCc1nc(-c2ccccc2OCCN(C)C)no1	ZINC000680749204	545537276	/nfs/dbraw/zinc/53/72/76/545537276.db2.gz	JMFAJJPXTFAYBR-UHFFFAOYSA-N	0	3	317.389	2.770	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@H](C)C1	ZINC000681444266	545641590	/nfs/dbraw/zinc/64/15/90/545641590.db2.gz	NAPSESFCDXXVPF-CXAGYDPISA-N	0	3	304.821	2.538	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H](C)C1	ZINC000681470415	545645570	/nfs/dbraw/zinc/64/55/70/545645570.db2.gz	QEFWXVMAOXMRMV-CXAGYDPISA-N	0	3	304.821	2.538	20	30		DFEDHN
C=CC[C@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccccc1	ZINC000681656356	545693238	/nfs/dbraw/zinc/69/32/38/545693238.db2.gz	DNYLSGAJQFLYCZ-KRWDZBQOSA-N	0	3	312.417	2.743	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCC#Cc1ccccc1	ZINC000683023258	545960727	/nfs/dbraw/zinc/96/07/27/545960727.db2.gz	BEFFJJYQKKWIBE-RTBURBONSA-N	0	3	312.457	2.911	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCC#Cc1ccccc1	ZINC000683023257	545961313	/nfs/dbraw/zinc/96/13/13/545961313.db2.gz	BEFFJJYQKKWIBE-RBUKOAKNSA-N	0	3	312.457	2.911	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2CCOC[C@H]2C2CC2)CCCC1(C)C	ZINC000683528303	546053587	/nfs/dbraw/zinc/05/35/87/546053587.db2.gz	VERKQBVQIIKACP-IRXDYDNUSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000685596748	546373554	/nfs/dbraw/zinc/37/35/54/546373554.db2.gz	SEHPGJCZYJWRRR-PMPSAXMXSA-N	0	3	312.816	2.751	20	30		DFEDHN
C=CC[N@@H+](CCCCCOC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000735418632	598716066	/nfs/dbraw/zinc/71/60/66/598716066.db2.gz	GGTVXYLOBFQUQI-UHFFFAOYSA-N	0	3	315.421	2.671	20	30		DFEDHN
C=CC[N@H+](CCCCCOC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000735418632	598716068	/nfs/dbraw/zinc/71/60/68/598716068.db2.gz	GGTVXYLOBFQUQI-UHFFFAOYSA-N	0	3	315.421	2.671	20	30		DFEDHN
C=CC[N@@H+](CCCCCOC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000735418632	598716069	/nfs/dbraw/zinc/71/60/69/598716069.db2.gz	GGTVXYLOBFQUQI-UHFFFAOYSA-N	0	3	315.421	2.671	20	30		DFEDHN
C=CC[N@H+](CCCCCOC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000735418632	598716070	/nfs/dbraw/zinc/71/60/70/598716070.db2.gz	GGTVXYLOBFQUQI-UHFFFAOYSA-N	0	3	315.421	2.671	20	30		DFEDHN
C=CC[NH+]1CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1	ZINC000819751036	599541233	/nfs/dbraw/zinc/54/12/33/599541233.db2.gz	NAHNSVDPGSPORO-UHFFFAOYSA-N	0	3	318.812	2.582	20	30		DFEDHN
C=CC[NH+]1CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1	ZINC000819751036	599541235	/nfs/dbraw/zinc/54/12/35/599541235.db2.gz	NAHNSVDPGSPORO-UHFFFAOYSA-N	0	3	318.812	2.582	20	30		DFEDHN
C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823887895	608286008	/nfs/dbraw/zinc/28/60/08/608286008.db2.gz	AMSCGGSZWGLJGU-RYUDHWBXSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823887895	608286010	/nfs/dbraw/zinc/28/60/10/608286010.db2.gz	AMSCGGSZWGLJGU-RYUDHWBXSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823887897	608286161	/nfs/dbraw/zinc/28/61/61/608286161.db2.gz	AMSCGGSZWGLJGU-VXGBXAGGSA-N	0	3	301.394	2.566	20	30		DFEDHN
C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823887897	608286163	/nfs/dbraw/zinc/28/61/63/608286163.db2.gz	AMSCGGSZWGLJGU-VXGBXAGGSA-N	0	3	301.394	2.566	20	30		DFEDHN
C#CC[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1	ZINC000823838681	608519753	/nfs/dbraw/zinc/51/97/53/608519753.db2.gz	SUGINQCVUGNDQK-QGZVFWFLSA-N	0	3	321.359	2.860	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccc(CC)cc2)CC1	ZINC000076977806	185063132	/nfs/dbraw/zinc/06/31/32/185063132.db2.gz	DEFQPOPIKWOKAX-UHFFFAOYSA-N	0	3	315.461	2.741	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c[nH]1	ZINC000181257992	199272292	/nfs/dbraw/zinc/27/22/92/199272292.db2.gz	SMMPYDSTLXSXLG-SFHVURJKSA-N	0	3	322.412	2.671	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c[nH]1	ZINC000181257969	199272673	/nfs/dbraw/zinc/27/26/73/199272673.db2.gz	SMMPYDSTLXSXLG-GOSISDBHSA-N	0	3	322.412	2.671	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](COC)[C@H]2CCCO2)cc1OC	ZINC000278612017	214274751	/nfs/dbraw/zinc/27/47/51/214274751.db2.gz	ISZLWGIAHJUGTH-HZPDHXFCSA-N	0	3	321.417	2.544	20	30		DFEDHN
N#Cc1cnc(NC[C@H]2CCCN(Cc3ccccc3)C2)cn1	ZINC000309831583	231105171	/nfs/dbraw/zinc/10/51/71/231105171.db2.gz	SJIZFBZRMNQBSH-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@@H](C)N1C	ZINC000311554739	231118579	/nfs/dbraw/zinc/11/85/79/231118579.db2.gz	QKJSFPAVDMYHND-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCN(C)C1	ZINC000591916903	398353441	/nfs/dbraw/zinc/35/34/41/398353441.db2.gz	CPRWTYGCEDZDBE-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CCCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCN(C)C1	ZINC000591916904	398353449	/nfs/dbraw/zinc/35/34/49/398353449.db2.gz	CPRWTYGCEDZDBE-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000596199711	398355446	/nfs/dbraw/zinc/35/54/46/398355446.db2.gz	GGQNRDLLNCVRCX-SFHVURJKSA-N	0	3	309.417	2.758	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000596234879	398363794	/nfs/dbraw/zinc/36/37/94/398363794.db2.gz	XGJMCZOELLJFSN-NVXWUHKLSA-N	0	3	309.417	2.787	20	30		DFEDHN
C[C@H]1CN(c2nc(C#N)c(Cl)s2)CCN(C2CCC2)C1	ZINC000596241225	398365452	/nfs/dbraw/zinc/36/54/52/398365452.db2.gz	PLHHNOOTAUVLPH-SNVBAGLBSA-N	0	3	310.854	2.979	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@@H](O)COC1CCOCC1	ZINC000279275296	214754221	/nfs/dbraw/zinc/75/42/21/214754221.db2.gz	JNXKKELWQPERRA-GOSISDBHSA-N	0	3	319.445	2.621	20	30		DFEDHN
CN1CCN(c2ncc3c(c2C#N)CCC3)CC12CCCCC2	ZINC000596251665	398368650	/nfs/dbraw/zinc/36/86/50/398368650.db2.gz	VBXHOOSKXVZWQF-UHFFFAOYSA-N	0	3	310.445	2.897	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000578437849	398372724	/nfs/dbraw/zinc/37/27/24/398372724.db2.gz	GLBVXEIGGMKRQO-AWEZNQCLSA-N	0	3	308.470	2.688	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(C)nn(C(C)(C)C)c2C)CC1	ZINC000592069257	398379023	/nfs/dbraw/zinc/37/90/23/398379023.db2.gz	VHGDQXNZCJUEBW-UHFFFAOYSA-N	0	3	318.465	2.635	20	30		DFEDHN
N#CCc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1	ZINC000579238431	398379021	/nfs/dbraw/zinc/37/90/21/398379021.db2.gz	FJQSOVFTMCWMQT-UHFFFAOYSA-N	0	3	320.396	2.720	20	30		DFEDHN
COCCN(CCC[C@H]1CCOC1)Cc1ccc(C#N)cc1	ZINC000592068337	398379172	/nfs/dbraw/zinc/37/91/72/398379172.db2.gz	YAXUUSGAQQRAOQ-SFHVURJKSA-N	0	3	302.418	2.823	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cccc(OC)c3o2)CC1	ZINC000592068601	398379266	/nfs/dbraw/zinc/37/92/66/398379266.db2.gz	AWHHRDOUERXGPA-UHFFFAOYSA-N	0	3	314.385	2.822	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cc(C)cc(C)c2)CC1	ZINC000592077290	398380101	/nfs/dbraw/zinc/38/01/01/398380101.db2.gz	WEGNYSFIKXQUFP-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C[C@H]1CCn2ncc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2C1	ZINC000581011486	398386855	/nfs/dbraw/zinc/38/68/55/398386855.db2.gz	UJMIVVPVIZVXAM-RYUDHWBXSA-N	0	3	319.368	2.832	20	30		DFEDHN
N#CC[C@@]1(O)CCN(CCC(=O)Nc2cccc3ccccc32)C1	ZINC000592148735	398392558	/nfs/dbraw/zinc/39/25/58/398392558.db2.gz	AJPUCAPGODCWMA-LJQANCHMSA-N	0	3	323.396	2.519	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)s1	ZINC000581896770	398393846	/nfs/dbraw/zinc/39/38/46/398393846.db2.gz	WYJXXIWVDMSEHK-OAHLLOKOSA-N	0	3	316.426	2.652	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)cc3Cl)C2)C1	ZINC000292797650	529801586	/nfs/dbraw/zinc/80/15/86/529801586.db2.gz	WAVGEYMXBTWYFR-MRXNPFEDSA-N	0	3	318.808	2.771	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](CC)c1ccc(OC)cc1	ZINC000272787365	210191445	/nfs/dbraw/zinc/19/14/45/210191445.db2.gz	COZKCONPBPCTIU-KRWDZBQOSA-N	0	3	302.418	2.937	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000596487820	398427800	/nfs/dbraw/zinc/42/78/00/398427800.db2.gz	KBPIZEYIMQWCGT-CYBMUJFWSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN(CCN(C)C1CC1)c1ccc(C#N)cc1Br	ZINC000302292734	529903168	/nfs/dbraw/zinc/90/31/68/529903168.db2.gz	WWSWMPJASCIJBT-UHFFFAOYSA-N	0	3	308.223	2.851	20	30		DFEDHN
CCS[C@@H]1CCC[C@H](NCc2cnc3c(C#N)cnn3c2)C1	ZINC000592504214	398436653	/nfs/dbraw/zinc/43/66/53/398436653.db2.gz	QTSHZCWBIWTLPJ-LSDHHAIUSA-N	0	3	315.446	2.755	20	30		DFEDHN
C[C@H](CC#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1	ZINC000596582215	398453764	/nfs/dbraw/zinc/45/37/64/398453764.db2.gz	DEBZMNAVCCAZPN-GFCCVEGCSA-N	0	3	300.362	2.694	20	30		DFEDHN
N#Cc1cc(Cl)ccc1NC1CCN([C@@H]2CCOC2)CC1	ZINC000089603295	398459519	/nfs/dbraw/zinc/45/95/19/398459519.db2.gz	VEMKHKTVOHNYLA-OAHLLOKOSA-N	0	3	305.809	2.877	20	30		DFEDHN
COCC(C)(C)N1CCN(CCC2(C#N)CCCCC2)CC1	ZINC000425510316	334956187	/nfs/dbraw/zinc/95/61/87/334956187.db2.gz	VDBXWUOAVYHKCQ-UHFFFAOYSA-N	0	3	307.482	2.893	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)F	ZINC000592671784	398465033	/nfs/dbraw/zinc/46/50/33/398465033.db2.gz	GNNGUDYMMUGGDT-SMDDNHRTSA-N	0	3	305.328	2.648	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1[C@H]1CCCO1	ZINC000586833906	398465966	/nfs/dbraw/zinc/46/59/66/398465966.db2.gz	WCELTMUKYBTRQM-OKZBNKHCSA-N	0	3	312.413	2.929	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(C)C1	ZINC000596639858	398468800	/nfs/dbraw/zinc/46/88/00/398468800.db2.gz	BTJSWDJQBNWTQH-ZDUSSCGKSA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C#N)cc1F	ZINC000330792013	232072027	/nfs/dbraw/zinc/07/20/27/232072027.db2.gz	UNCPLTOMVPGXIS-CYBMUJFWSA-N	0	3	317.408	2.997	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](O)c2nccn2C)CC1	ZINC000089925222	398469524	/nfs/dbraw/zinc/46/95/24/398469524.db2.gz	IERKUNZHFYGQPS-KDOFPFPSSA-N	0	3	324.428	2.798	20	30		DFEDHN
C[C@@H](c1ccc(F)c(F)c1)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942675	398471782	/nfs/dbraw/zinc/47/17/82/398471782.db2.gz	FNOZUAPDDRIOJI-JTQLQIEISA-N	0	3	319.359	2.767	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(CC)[C@@H]1CCN(C)C1	ZINC000596703981	398481590	/nfs/dbraw/zinc/48/15/90/398481590.db2.gz	WQSRNHZTTHSLPM-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCN(CC)C1	ZINC000596724720	398486815	/nfs/dbraw/zinc/48/68/15/398486815.db2.gz	CJGBTAIXAGIYTB-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
CCCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCN(C)C1	ZINC000592829363	398491851	/nfs/dbraw/zinc/49/18/51/398491851.db2.gz	OMFLKZLAURCRBS-ROUUACIJSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000596766508	398497085	/nfs/dbraw/zinc/49/70/85/398497085.db2.gz	HXHGOBHGZUAEDZ-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
CCN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCN(CC)C1	ZINC000596781621	398500748	/nfs/dbraw/zinc/50/07/48/398500748.db2.gz	BQFUYNILHGREMR-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=CCC[C@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000279608710	215002104	/nfs/dbraw/zinc/00/21/04/215002104.db2.gz	FLBHCXBMSUWVTB-GXFFZTMASA-N	0	3	311.223	2.920	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCCC[C@@H]1C	ZINC000596799643	398503864	/nfs/dbraw/zinc/50/38/64/398503864.db2.gz	ZCJHXZHVWWOSEF-NWDGAFQWSA-N	0	3	321.371	2.829	20	30		DFEDHN
Cc1ccc(C#N)cc1OC[C@@H](O)CN(C)Cc1ccccc1	ZINC000305339643	398506133	/nfs/dbraw/zinc/50/61/33/398506133.db2.gz	SMQMIOFUGBHKNQ-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC2(F)F)cc1	ZINC000588784861	398507772	/nfs/dbraw/zinc/50/77/72/398507772.db2.gz	YMWZBHWUTYDEMI-KBPBESRZSA-N	0	3	303.312	2.545	20	30		DFEDHN
Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1	ZINC000091080429	398509327	/nfs/dbraw/zinc/50/93/27/398509327.db2.gz	ZXKYZBSVFSSYDL-IRXDYDNUSA-N	0	3	310.401	2.769	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308162843	398512601	/nfs/dbraw/zinc/51/26/01/398512601.db2.gz	BHMLAZKTHJTLDJ-HNNXBMFYSA-N	0	3	307.401	2.597	20	30		DFEDHN
CCc1nc(C#N)cc(NC2CCN(Cc3ccccc3)CC2)n1	ZINC000308181259	398512693	/nfs/dbraw/zinc/51/26/93/398512693.db2.gz	RNZUHUIUAHWRNJ-UHFFFAOYSA-N	0	3	321.428	2.987	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H](C)CN(C)Cc2ccccc2)n1	ZINC000308164334	398512869	/nfs/dbraw/zinc/51/28/69/398512869.db2.gz	DVBAWTBJWPYOFN-AWEZNQCLSA-N	0	3	309.417	2.843	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)NCC3(C#N)CCCCC3)C2)C1	ZINC000596857204	398515027	/nfs/dbraw/zinc/51/50/27/398515027.db2.gz	JGNWQWFXYXKMAV-SFHVURJKSA-N	0	3	318.465	2.588	20	30		DFEDHN
CN(C)CCOc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1	ZINC000592983679	398514377	/nfs/dbraw/zinc/51/43/77/398514377.db2.gz	HNBJRMBJQBJKMZ-QGZVFWFLSA-N	0	3	324.424	2.969	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)NCC1(C#N)CCCCC1	ZINC000596861005	398516522	/nfs/dbraw/zinc/51/65/22/398516522.db2.gz	AVZWUWVUJJIIPL-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN(C)C[C@H]1CN(C(=O)CCCCCC#N)c2ccccc2O1	ZINC000588944768	398518796	/nfs/dbraw/zinc/51/87/96/398518796.db2.gz	OEZIGANWBIZOAZ-HNNXBMFYSA-N	0	3	315.417	2.816	20	30		DFEDHN
CCC[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000068501214	282490130	/nfs/dbraw/zinc/49/01/30/282490130.db2.gz	OYVFMRXMBDDTJR-HNNXBMFYSA-N	0	3	301.434	2.885	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)COc1cc(F)cc(C#N)c1	ZINC000589059341	398523678	/nfs/dbraw/zinc/52/36/78/398523678.db2.gz	KPFIJGFUJYMNDV-QGZVFWFLSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000091506419	398534974	/nfs/dbraw/zinc/53/49/74/398534974.db2.gz	QXFZGXLXVNWLSR-QGZVFWFLSA-N	0	3	315.461	2.988	20	30		DFEDHN
C[C@H]1CCC[C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000318812655	398539873	/nfs/dbraw/zinc/53/98/73/398539873.db2.gz	IWIIBBANHRUHHH-HOCLYGCPSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](Cn4cncn4)C3)cc2)CC1	ZINC000596983640	398540209	/nfs/dbraw/zinc/54/02/09/398540209.db2.gz	GYYAMDMRNQXWPK-KRWDZBQOSA-N	0	3	321.428	2.745	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cccc(C#N)n1)c1ccccc1	ZINC000589254913	398541270	/nfs/dbraw/zinc/54/12/70/398541270.db2.gz	VAPYVJBKNDOZQN-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1F	ZINC000596998868	398544065	/nfs/dbraw/zinc/54/40/65/398544065.db2.gz	NWULACNKPMVXIG-CYBMUJFWSA-N	0	3	319.355	2.537	20	30		DFEDHN
COc1ccc2[nH]cc(CCNCc3nc(C#N)cs3)c2c1	ZINC000589314924	398544637	/nfs/dbraw/zinc/54/46/37/398544637.db2.gz	JVTRJLDKHNAGME-UHFFFAOYSA-N	0	3	312.398	2.837	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1	ZINC000286962592	219246538	/nfs/dbraw/zinc/24/65/38/219246538.db2.gz	GGYPALWLQHBTPC-AWEZNQCLSA-N	0	3	317.820	2.958	20	30		DFEDHN
C[C@H](NC(=O)N(C)CCN1CCCCC1)c1ccc(C#N)cc1	ZINC000593148980	398558710	/nfs/dbraw/zinc/55/87/10/398558710.db2.gz	AIMNYGJOHYKMQM-HNNXBMFYSA-N	0	3	314.433	2.747	20	30		DFEDHN
Cc1cc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1C#N	ZINC000589521400	398558175	/nfs/dbraw/zinc/55/81/75/398558175.db2.gz	ZFXRBRYBTGJKFC-ROUUACIJSA-N	0	3	314.429	2.667	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1ccc(F)cc1C#N	ZINC000593167697	398562708	/nfs/dbraw/zinc/56/27/08/398562708.db2.gz	DSMUWVABSSVMEL-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cnccn1	ZINC000593183774	398566911	/nfs/dbraw/zinc/56/69/11/398566911.db2.gz	JIRHESZEAWSIHI-OAHLLOKOSA-N	0	3	321.428	2.663	20	30		DFEDHN
C[C@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C#N)cc1	ZINC000593183802	398566939	/nfs/dbraw/zinc/56/69/39/398566939.db2.gz	JYRKTCVKLZUSLT-SUMWQHHRSA-N	0	3	307.397	2.985	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H]2CCC[C@H]2C#N)cn1	ZINC000597084144	398563935	/nfs/dbraw/zinc/56/39/35/398563935.db2.gz	XOQLOMZUIXMVCO-XJNFMUPTSA-N	0	3	302.422	2.653	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H]([C@@H](O)C(F)(F)F)C3)cc2)CC1	ZINC000597142775	398574987	/nfs/dbraw/zinc/57/49/87/398574987.db2.gz	WUOKKRRHNBPTSH-DZGCQCFKSA-N	0	3	324.346	2.987	20	30		DFEDHN
CC(C)N(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC(=O)N1	ZINC000597149709	398576000	/nfs/dbraw/zinc/57/60/00/398576000.db2.gz	HZRAUCOIHQTPIY-QGZVFWFLSA-N	0	3	311.429	2.731	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CNCC2(C#N)CCCC2)cn1	ZINC000597157792	398578765	/nfs/dbraw/zinc/57/87/65/398578765.db2.gz	KPYVDKGYECLBSV-GOEBONIOSA-N	0	3	302.422	2.654	20	30		DFEDHN
N#CCCn1cc(CN(CCO)CC2CC2)c(-c2ccccc2)n1	ZINC000092505857	398581388	/nfs/dbraw/zinc/58/13/88/398581388.db2.gz	DGPKIAGMLBCXMS-UHFFFAOYSA-N	0	3	324.428	2.668	20	30		DFEDHN
CC(C)CN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(C)C	ZINC000081512537	282634833	/nfs/dbraw/zinc/63/48/33/282634833.db2.gz	NLPRNSWFVWPKRJ-UHFFFAOYSA-N	0	3	322.474	2.946	20	30		DFEDHN
COCCOCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000597175618	398582613	/nfs/dbraw/zinc/58/26/13/398582613.db2.gz	BUKNGJONQGZVEP-INIZCTEOSA-N	0	3	302.418	2.975	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC(C)(C)CCC#N)C1	ZINC000597181318	398584144	/nfs/dbraw/zinc/58/41/44/398584144.db2.gz	DCXHPOFTGCKFPH-NEPJUHHUSA-N	0	3	320.355	2.990	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN[C@@H]2CCCC[C@@H]2C#N)cn1	ZINC000597197770	398588372	/nfs/dbraw/zinc/58/83/72/398588372.db2.gz	YVRFOWQLNCQIIM-YALNPMBYSA-N	0	3	302.422	2.653	20	30		DFEDHN
CN(C)CCOc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1	ZINC000597198243	398588595	/nfs/dbraw/zinc/58/85/95/398588595.db2.gz	MFSJRMPUDCXAFR-FUHWJXTLSA-N	0	3	301.434	2.799	20	30		DFEDHN
N#CCCCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000589996252	398588741	/nfs/dbraw/zinc/58/87/41/398588741.db2.gz	SCRPTRJBLGXNJS-KRWDZBQOSA-N	0	3	315.417	2.666	20	30		DFEDHN
C[C@@H]1C[C@@H]1CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000597203367	398589981	/nfs/dbraw/zinc/58/99/81/398589981.db2.gz	ORRDSSGOMHMJOX-RHSMWYFYSA-N	0	3	321.428	2.726	20	30		DFEDHN
N#Cc1c(Cl)nsc1N1CC[C@@H](CN2CCCCC2)C1	ZINC000092657730	398591269	/nfs/dbraw/zinc/59/12/69/398591269.db2.gz	VEVJMCTTXSXYBQ-NSHDSACASA-N	0	3	310.854	2.980	20	30		DFEDHN
CC(C)C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N(C)C	ZINC000597219613	398594069	/nfs/dbraw/zinc/59/40/69/398594069.db2.gz	FCQFRRDNFXRTMJ-LBPRGKRZSA-N	0	3	309.360	2.543	20	30		DFEDHN
N#CCCCCCc1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000350207823	398598942	/nfs/dbraw/zinc/59/89/42/398598942.db2.gz	ZPJWOTZOZDWXIY-BETUJISGSA-N	0	3	301.394	2.551	20	30		DFEDHN
C[C@@H]1Cc2ccccc2N1C1CCN(CCOCCC#N)CC1	ZINC000590165165	398602390	/nfs/dbraw/zinc/60/23/90/398602390.db2.gz	PDEHLOFIJCDSTP-MRXNPFEDSA-N	0	3	313.445	2.832	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC1(C#N)CCCC1	ZINC000593338414	398603639	/nfs/dbraw/zinc/60/36/39/398603639.db2.gz	XIEQEMWIUVFVNK-HUUCEWRRSA-N	0	3	306.454	2.632	20	30		DFEDHN
C[C@H]1CCN(C(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590285883	398609712	/nfs/dbraw/zinc/60/97/12/398609712.db2.gz	RBTLUCYJFFNRJH-INIZCTEOSA-N	0	3	311.429	2.803	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CCN1CCCCC1)c1cccc(C#N)c1	ZINC000593366095	398610291	/nfs/dbraw/zinc/61/02/91/398610291.db2.gz	QMDBDZKVLMCJHN-OAHLLOKOSA-N	0	3	314.433	2.747	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@H](CCO)C2)c1	ZINC000093106254	398620495	/nfs/dbraw/zinc/62/04/95/398620495.db2.gz	HJSIGQXLJYKAHD-MRXNPFEDSA-N	0	3	302.418	2.964	20	30		DFEDHN
N#CC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCCC1	ZINC000593428204	398625063	/nfs/dbraw/zinc/62/50/63/398625063.db2.gz	TZHMQURMMOQHFR-INIZCTEOSA-N	0	3	318.465	2.730	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1	ZINC000043585760	398626344	/nfs/dbraw/zinc/62/63/44/398626344.db2.gz	VHVAKVKWAFQBPS-ZIAGYGMSSA-N	0	3	317.433	2.861	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1	ZINC000590532216	398630091	/nfs/dbraw/zinc/63/00/91/398630091.db2.gz	SQSMRBMTQXEWNF-OAHLLOKOSA-N	0	3	317.458	2.821	20	30		DFEDHN
CC(C)OCCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000171496914	186169003	/nfs/dbraw/zinc/16/90/03/186169003.db2.gz	SAZWWCIIDUNRMV-UHFFFAOYSA-N	0	3	315.461	2.881	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1OC	ZINC000093482760	398639416	/nfs/dbraw/zinc/63/94/16/398639416.db2.gz	AXUWXICFCNLRQE-ZBFHGGJFSA-N	0	3	305.418	2.995	20	30		DFEDHN
CC(C)COc1ccccc1CNC1CCN(CC#N)CC1	ZINC000590645471	398644608	/nfs/dbraw/zinc/64/46/08/398644608.db2.gz	AEBXUWWNMROOOL-UHFFFAOYSA-N	0	3	301.434	2.799	20	30		DFEDHN
C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)O1	ZINC000590648946	398645598	/nfs/dbraw/zinc/64/55/98/398645598.db2.gz	HYPPLSCOVQRVBJ-IGCXYCKISA-N	0	3	310.401	2.614	20	30		DFEDHN
CN(CCN1CCCCC1)c1ncc(Br)cc1C#N	ZINC000593516076	398649841	/nfs/dbraw/zinc/64/98/41/398649841.db2.gz	LRGCPOXFQMEDDW-UHFFFAOYSA-N	0	3	323.238	2.638	20	30		DFEDHN
CCN1CCC[C@H]1CNc1c(C#N)cnc2c(F)ccc(F)c21	ZINC000590683491	398651087	/nfs/dbraw/zinc/65/10/87/398651087.db2.gz	RPPYTKLEOKMWHH-LBPRGKRZSA-N	0	3	316.355	2.703	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc([C@H]3CCOC3)c2)CC1	ZINC000270466570	186399102	/nfs/dbraw/zinc/39/91/02/186399102.db2.gz	BIPLSNRDVUWWGO-KRWDZBQOSA-N	0	3	314.429	2.571	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000593577174	398657685	/nfs/dbraw/zinc/65/76/85/398657685.db2.gz	CAHGTVYKVGQYSO-INIZCTEOSA-N	0	3	314.433	2.696	20	30		DFEDHN
C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C#N)cc1	ZINC000171955301	198015108	/nfs/dbraw/zinc/01/51/08/198015108.db2.gz	YHHVRKPEZGBGRB-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1(C#N)CCC1	ZINC000590746873	398664997	/nfs/dbraw/zinc/66/49/97/398664997.db2.gz	FTXZBDJAPQTZCD-BFYDXBDKSA-N	0	3	311.429	2.815	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000597604801	398667645	/nfs/dbraw/zinc/66/76/45/398667645.db2.gz	KNHSQGAZTLTAOL-ZDUSSCGKSA-N	0	3	305.809	2.768	20	30		DFEDHN
C[C@@H](CC#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000597640612	398672823	/nfs/dbraw/zinc/67/28/23/398672823.db2.gz	CPOFPTJGFPEYRL-GXTWGEPZSA-N	0	3	307.825	2.651	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1	ZINC000597658744	398675846	/nfs/dbraw/zinc/67/58/46/398675846.db2.gz	WMTQUFCZPWUKDN-RHSMWYFYSA-N	0	3	317.433	2.742	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccncn1	ZINC000593724648	398678109	/nfs/dbraw/zinc/67/81/09/398678109.db2.gz	FCSMWEFIVYASEP-OAHLLOKOSA-N	0	3	321.428	2.663	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCC2([S@@](C)=O)CCC2)cc1	ZINC000281021042	334975462	/nfs/dbraw/zinc/97/54/62/334975462.db2.gz	MHTVKLVYECCTLQ-SPLOXXLWSA-N	0	3	305.443	2.650	20	30		DFEDHN
CCCCCN(CCNC(=O)[C@H](C)C#N)Cc1ccccc1	ZINC000593786288	398687679	/nfs/dbraw/zinc/68/76/79/398687679.db2.gz	MBPULODOWIIOLC-MRXNPFEDSA-N	0	3	301.434	2.955	20	30		DFEDHN
C=CCCOCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000597753473	398690194	/nfs/dbraw/zinc/69/01/94/398690194.db2.gz	AQQAVYUNKBHVKD-OAHLLOKOSA-N	0	3	304.434	2.825	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)CO1	ZINC000593807156	398690817	/nfs/dbraw/zinc/69/08/17/398690817.db2.gz	GRYLEVDNIPBLSM-BHYGNILZSA-N	0	3	300.402	2.785	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)NCC#Cc2ccccc2)c1	ZINC000073681041	398693974	/nfs/dbraw/zinc/69/39/74/398693974.db2.gz	HUIFGKPMYQEFCI-UHFFFAOYSA-N	0	3	321.424	2.599	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)C2(CCC2)CO1	ZINC000593847450	398696976	/nfs/dbraw/zinc/69/69/76/398696976.db2.gz	GQBGTVMOXDKDER-RDJZCZTQSA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@H](NCc1ccnc(OCCN(C)C)c1)c1ccc(C#N)cc1	ZINC000182090883	199385087	/nfs/dbraw/zinc/38/50/87/199385087.db2.gz	PGCJFYRKFFBBHP-HNNXBMFYSA-N	0	3	324.428	2.744	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)c1cc(C#N)ccc1Cl	ZINC000593883446	398699705	/nfs/dbraw/zinc/69/97/05/398699705.db2.gz	OBWMQMCKVSCQKG-UHFFFAOYSA-N	0	3	305.809	2.770	20	30		DFEDHN
N#Cc1ccccc1CSCCNCc1ccc(CO)o1	ZINC000174248135	198310182	/nfs/dbraw/zinc/31/01/82/198310182.db2.gz	LCKIHVZCOASRNM-UHFFFAOYSA-N	0	3	302.399	2.667	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c2cc(F)ccc2O1	ZINC000593916110	398703085	/nfs/dbraw/zinc/70/30/85/398703085.db2.gz	AWPHXRSYDNTAJH-KBPBESRZSA-N	0	3	319.380	2.565	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000590927904	398702231	/nfs/dbraw/zinc/70/22/31/398702231.db2.gz	JXNBRCYINGLTNC-PBHICJAKSA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@](CO)(NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000597840860	398703315	/nfs/dbraw/zinc/70/33/15/398703315.db2.gz	BTHXFWOYLZMPHM-YLJYHZDGSA-N	0	3	322.408	2.783	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1Cl	ZINC000174528818	198347659	/nfs/dbraw/zinc/34/76/59/198347659.db2.gz	OIHQXXGFCSIMNA-AWEZNQCLSA-N	0	3	316.792	2.690	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cl	ZINC000590972522	398711901	/nfs/dbraw/zinc/71/19/01/398711901.db2.gz	YMHIXAMPNHBPMY-RIEGTJTDSA-N	0	3	303.793	2.928	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCCC#N	ZINC000593974736	398712630	/nfs/dbraw/zinc/71/26/30/398712630.db2.gz	XQGZOLHIBREPLE-UHFFFAOYSA-N	0	3	305.397	2.800	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCCc1ccc(C#N)cc1)N1CCCCC1	ZINC000597891137	398713657	/nfs/dbraw/zinc/71/36/57/398713657.db2.gz	KJWDKVCCGVCQAK-SFHVURJKSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CC[C@H](C4CCC4)C3)C2=O)cc1	ZINC000591062028	398720609	/nfs/dbraw/zinc/72/06/09/398720609.db2.gz	RXFKCPZMTWLRKK-WMZOPIPTSA-N	0	3	309.413	2.786	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN(C)Cc1cccc(C#N)c1	ZINC000046835886	398720302	/nfs/dbraw/zinc/72/03/02/398720302.db2.gz	XGCJACBDVUKORW-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000597921920	398721282	/nfs/dbraw/zinc/72/12/82/398721282.db2.gz	HVWNGXVZQRTRBG-CYBMUJFWSA-N	0	3	305.809	2.814	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)CSCC#N)c1ccsc1	ZINC000046945914	398726180	/nfs/dbraw/zinc/72/61/80/398726180.db2.gz	WBYJKRZUTMZVCX-ZDUSSCGKSA-N	0	3	311.476	2.504	20	30		DFEDHN
N#Cc1ccc(C2(NCCOC[C@@H]3CCCO3)CCC2)cc1	ZINC000594031414	398726232	/nfs/dbraw/zinc/72/62/32/398726232.db2.gz	FFPJBFVTKFKFOB-KRWDZBQOSA-N	0	3	300.402	2.723	20	30		DFEDHN
C=CC1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1	ZINC000111444245	398727816	/nfs/dbraw/zinc/72/78/16/398727816.db2.gz	DOWDIUVDKIFMQR-UHFFFAOYSA-N	0	3	301.434	2.856	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C=CCC1	ZINC000047011115	398732496	/nfs/dbraw/zinc/73/24/96/398732496.db2.gz	VDNGKUPPQGNIPQ-MRXNPFEDSA-N	0	3	311.429	2.805	20	30		DFEDHN
CCC1(CC)[C@H](NCc2cnc3ccc(C#N)cn23)C[C@H]1OC	ZINC000131406665	283083558	/nfs/dbraw/zinc/08/35/58/283083558.db2.gz	VIELJRSLBHCTPP-HZPDHXFCSA-N	0	3	312.417	2.889	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cscn1	ZINC000598015012	398737507	/nfs/dbraw/zinc/73/75/07/398737507.db2.gz	QAYDVEAJKGXVKH-RISCZKNCSA-N	0	3	310.382	2.574	20	30		DFEDHN
CC(C)Cc1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000591241630	398742015	/nfs/dbraw/zinc/74/20/15/398742015.db2.gz	QIVOYZAMOVYYSM-QFBILLFUSA-N	0	3	317.477	2.742	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cc(C(C)C)no2)CC1	ZINC000114527307	398746131	/nfs/dbraw/zinc/74/61/31/398746131.db2.gz	RVRZGVDSYXPTTN-UHFFFAOYSA-N	0	3	320.437	2.638	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)CNC2	ZINC000591360410	398752843	/nfs/dbraw/zinc/75/28/43/398752843.db2.gz	SCLSRAFVMBSJDN-UHFFFAOYSA-N	0	3	320.396	2.503	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC1(F)F	ZINC000591377441	398754178	/nfs/dbraw/zinc/75/41/78/398754178.db2.gz	YUIQZWNODXSBFQ-CQDKDKBSSA-N	0	3	319.355	2.687	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1	ZINC000079726679	191966185	/nfs/dbraw/zinc/96/61/85/191966185.db2.gz	BYNQZOPZCNOCSM-UHFFFAOYSA-N	0	3	323.396	2.989	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1	ZINC000594195981	398762721	/nfs/dbraw/zinc/76/27/21/398762721.db2.gz	JRPIIJIHUHCOBV-HZPDHXFCSA-N	0	3	317.820	2.958	20	30		DFEDHN
CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCCCC#N)C1	ZINC000598194754	398766888	/nfs/dbraw/zinc/76/68/88/398766888.db2.gz	HOOVEOKXNGYZSC-SFHVURJKSA-N	0	3	313.445	2.846	20	30		DFEDHN
Cn1ncc(C2CC2)c1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598209825	398770215	/nfs/dbraw/zinc/77/02/15/398770215.db2.gz	BLUSVFJSMYCRMU-INIZCTEOSA-N	0	3	322.412	2.686	20	30		DFEDHN
N#Cc1csc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000598219389	398773333	/nfs/dbraw/zinc/77/33/33/398773333.db2.gz	LHQPRQJOGXWTEJ-CYBMUJFWSA-N	0	3	303.431	2.757	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1Cl	ZINC000591593510	398774667	/nfs/dbraw/zinc/77/46/67/398774667.db2.gz	CLYCUQTVXMCVLC-OAHLLOKOSA-N	0	3	307.781	2.571	20	30		DFEDHN
CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@]1(C#N)CCNC1	ZINC000591599275	398775171	/nfs/dbraw/zinc/77/51/71/398775171.db2.gz	UVAWDIMWOYPZSJ-HXUWFJFHSA-N	0	3	319.408	2.815	20	30		DFEDHN
N#C[C@@]1(C(=O)NCc2ccccc2Oc2ccccc2)CCNC1	ZINC000591603138	398775183	/nfs/dbraw/zinc/77/51/83/398775183.db2.gz	XMWMUDGLRRZTJR-IBGZPJMESA-N	0	3	321.380	2.598	20	30		DFEDHN
CC(C)c1nc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2o1	ZINC000591596434	398774733	/nfs/dbraw/zinc/77/47/33/398774733.db2.gz	PNIZWVAZVJKXJU-LBPRGKRZSA-N	0	3	300.362	2.911	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCNC1	ZINC000591634686	398777965	/nfs/dbraw/zinc/77/79/65/398777965.db2.gz	NFWPWWQKBHIBIU-QGZVFWFLSA-N	0	3	317.820	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@H]2CCCCN2C1=O)C(C)C	ZINC000272261677	209641941	/nfs/dbraw/zinc/64/19/41/209641941.db2.gz	MGGZHQCWSPJTEE-HZPDHXFCSA-N	0	3	319.449	2.502	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728478	398782828	/nfs/dbraw/zinc/78/28/28/398782828.db2.gz	ZTNTZJMSSUUVOD-ZIAGYGMSSA-N	0	3	318.371	2.824	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](O)COc2ccccc2Cl)s1	ZINC000591770892	398786298	/nfs/dbraw/zinc/78/62/98/398786298.db2.gz	CCMJVNUDNMBVMW-LLVKDONJSA-N	0	3	322.817	2.803	20	30		DFEDHN
C[C@H](Cc1ccccn1)NC(=O)C(C#N)CCc1ccccc1	ZINC000594402922	398793150	/nfs/dbraw/zinc/79/31/50/398793150.db2.gz	UZSAWUAXAMCFBO-NVXWUHKLSA-N	0	3	307.397	2.901	20	30		DFEDHN
CC1(C)[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(F)F	ZINC000598336907	398795090	/nfs/dbraw/zinc/79/50/90/398795090.db2.gz	IJUQGIJEHXLAFO-UONOGXRCSA-N	0	3	317.339	2.648	20	30		DFEDHN
CCc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000123181579	398796549	/nfs/dbraw/zinc/79/65/49/398796549.db2.gz	PEJJSXFFUXUAME-KSSFIOAISA-N	0	3	301.434	2.954	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000594428341	398798526	/nfs/dbraw/zinc/79/85/26/398798526.db2.gz	YGNNVLUEEXDNMO-GFCCVEGCSA-N	0	3	315.402	2.555	20	30		DFEDHN
CCOc1ccccc1[C@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594427469	398798931	/nfs/dbraw/zinc/79/89/31/398798931.db2.gz	IXVBQVQLFLILIG-DZGCQCFKSA-N	0	3	303.406	2.674	20	30		DFEDHN
CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594430137	398799310	/nfs/dbraw/zinc/79/93/10/398799310.db2.gz	WGHGUJXRNYOKRI-ZDUSSCGKSA-N	0	3	322.796	2.648	20	30		DFEDHN
CCOc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594427474	398798784	/nfs/dbraw/zinc/79/87/84/398798784.db2.gz	IXVBQVQLFLILIG-ZFWWWQNUSA-N	0	3	303.406	2.674	20	30		DFEDHN
COc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594429545	398799546	/nfs/dbraw/zinc/79/95/46/398799546.db2.gz	RGXZRRSCWUTJTR-BBRMVZONSA-N	0	3	303.406	2.626	20	30		DFEDHN
COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](N)CCCCC#N	ZINC000594430152	398799579	/nfs/dbraw/zinc/79/95/79/398799579.db2.gz	ZLSYRXSKYNSOCS-DLBZAZTESA-N	0	3	315.417	2.600	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1	ZINC000594430308	398799637	/nfs/dbraw/zinc/79/96/37/398799637.db2.gz	YYLBVPWDVDZBIA-MCIGGMRASA-N	0	3	305.344	2.635	20	30		DFEDHN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](N)CCCCC#N	ZINC000594430155	398799643	/nfs/dbraw/zinc/79/96/43/398799643.db2.gz	ZLSYRXSKYNSOCS-SJORKVTESA-N	0	3	315.417	2.600	20	30		DFEDHN
CCOc1cccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594431233	398799685	/nfs/dbraw/zinc/79/96/85/398799685.db2.gz	JXCHDPVIMAISMV-CZUORRHYSA-N	0	3	303.406	2.674	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1	ZINC000594430230	398799703	/nfs/dbraw/zinc/79/97/03/398799703.db2.gz	XGIAPHFAWONMDH-SJORKVTESA-N	0	3	315.417	2.674	20	30		DFEDHN
CCCN(Cc1ccc(F)cc1)C(=O)[C@H](N)CCCCC#N	ZINC000594429981	398799723	/nfs/dbraw/zinc/79/97/23/398799723.db2.gz	YOSWYRLVSOYDTG-MRXNPFEDSA-N	0	3	305.397	2.976	20	30		DFEDHN
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594429535	398799831	/nfs/dbraw/zinc/79/98/31/398799831.db2.gz	REVKKZSOIYMJGG-ABAIWWIYSA-N	0	3	309.360	2.895	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21	ZINC000594431722	398800289	/nfs/dbraw/zinc/80/02/89/398800289.db2.gz	QEXZTADRGLWRMK-UONOGXRCSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1	ZINC000594432769	398800324	/nfs/dbraw/zinc/80/03/24/398800324.db2.gz	BQMSDXZXLDBZCO-OAHLLOKOSA-N	0	3	317.458	2.839	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594432929	398800612	/nfs/dbraw/zinc/80/06/12/398800612.db2.gz	HIDSHFPZVWCELL-IRXDYDNUSA-N	0	3	301.434	2.877	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCCOc2ccc(F)cc21	ZINC000594431869	398800637	/nfs/dbraw/zinc/80/06/37/398800637.db2.gz	RLWXUKKRSHPTTN-GJZGRUSLSA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)CCCCC1	ZINC000049971724	398801296	/nfs/dbraw/zinc/80/12/96/398801296.db2.gz	NLAFFQAVIHEACN-CVEARBPZSA-N	0	3	303.450	2.984	20	30		DFEDHN
COc1cc(C)c(NC(=O)[C@@H](N)CCCCC#N)c(C)c1C	ZINC000594437432	398802227	/nfs/dbraw/zinc/80/22/27/398802227.db2.gz	NNKIKIZTDPXXLL-AWEZNQCLSA-N	0	3	303.406	2.970	20	30		DFEDHN
Cc1cccnc1[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)C	ZINC000594438966	398802285	/nfs/dbraw/zinc/80/22/85/398802285.db2.gz	ROTASRZQFNVEBH-GJZGRUSLSA-N	0	3	302.422	2.615	20	30		DFEDHN
C#CCCN1CCC(c2noc(-c3ccccc3OC)n2)CC1	ZINC000276828655	213119476	/nfs/dbraw/zinc/11/94/76/213119476.db2.gz	QHULKQYDOFTRRD-UHFFFAOYSA-N	0	3	311.385	2.948	20	30		DFEDHN
Cc1csc([C@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)n1	ZINC000594439789	398803019	/nfs/dbraw/zinc/80/30/19/398803019.db2.gz	ZUCYYXAWPKUPPU-UONOGXRCSA-N	0	3	320.462	2.916	20	30		DFEDHN
COc1ccc(NC(=O)[C@H](N)CCCCC#N)c2cccnc12	ZINC000594440580	398803471	/nfs/dbraw/zinc/80/34/71/398803471.db2.gz	GDKABVTUNJETIP-CYBMUJFWSA-N	0	3	312.373	2.593	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccncc1	ZINC000594444520	398804138	/nfs/dbraw/zinc/80/41/38/398804138.db2.gz	RQARRBSAGASCRT-IAGOWNOFSA-N	0	3	314.433	2.937	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC(c2ccccc2F)CC1	ZINC000594444426	398804171	/nfs/dbraw/zinc/80/41/71/398804171.db2.gz	LXFHTXYFGHOKNS-QGZVFWFLSA-N	0	3	317.408	2.943	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F	ZINC000594445418	398804757	/nfs/dbraw/zinc/80/47/57/398804757.db2.gz	FGTASKDQXIFMMO-NEPJUHHUSA-N	0	3	305.344	2.635	20	30		DFEDHN
Cc1ccc(-n2cccn2)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594443382	398803883	/nfs/dbraw/zinc/80/38/83/398803883.db2.gz	PFLFRTCAHPLBKE-OAHLLOKOSA-N	0	3	311.389	2.531	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000594445090	398803896	/nfs/dbraw/zinc/80/38/96/398803896.db2.gz	PABRNMNQDIPCKY-AGIUHOORSA-N	0	3	319.371	2.883	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCc2sc(Cl)cc2C1	ZINC000594449817	398805121	/nfs/dbraw/zinc/80/51/21/398805121.db2.gz	OOAAVVWPRKFWPN-LLVKDONJSA-N	0	3	311.838	2.697	20	30		DFEDHN
CC1(C)CN(C(=O)[C@H](N)CCCCC#N)CC[C@H]1C(F)(F)F	ZINC000594456515	398806384	/nfs/dbraw/zinc/80/63/84/398806384.db2.gz	PLLISNYKOPWXMP-VXGBXAGGSA-N	0	3	319.371	2.835	20	30		DFEDHN
C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)c2c(O)cccc21	ZINC000594456182	398806424	/nfs/dbraw/zinc/80/64/24/398806424.db2.gz	KZCMLCDGFZPTFL-JSGCOSHPSA-N	0	3	301.390	2.644	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2F)CCC1	ZINC000594451738	398805946	/nfs/dbraw/zinc/80/59/46/398805946.db2.gz	CSPXEIFSHIRMBG-INIZCTEOSA-N	0	3	317.408	2.775	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2F)CCC1	ZINC000594451739	398805971	/nfs/dbraw/zinc/80/59/71/398805971.db2.gz	CSPXEIFSHIRMBG-MRXNPFEDSA-N	0	3	317.408	2.775	20	30		DFEDHN
CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000179270503	199008346	/nfs/dbraw/zinc/00/83/46/199008346.db2.gz	JCSSEUJAYCZXCS-AWEZNQCLSA-N	0	3	319.474	2.590	20	30		DFEDHN
C#CCCCCC(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000179772629	199078727	/nfs/dbraw/zinc/07/87/27/199078727.db2.gz	OBDSWLFOJHRDGR-UHFFFAOYSA-N	0	3	313.445	2.961	20	30		DFEDHN
N#Cc1cccc(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-]	ZINC000594598036	398827789	/nfs/dbraw/zinc/82/77/89/398827789.db2.gz	GBFSJGAWBNBQTE-HIFRSBDPSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1c(NC[C@H]2CCCN2CCCO)cccc1C(F)F	ZINC000594581052	398823886	/nfs/dbraw/zinc/82/38/86/398823886.db2.gz	IHUFGMGBORRWPT-GFCCVEGCSA-N	0	3	309.360	2.755	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCO1	ZINC000179917909	199094610	/nfs/dbraw/zinc/09/46/10/199094610.db2.gz	AZOJGYOJONDGNC-KRWDZBQOSA-N	0	3	310.401	2.570	20	30		DFEDHN
N#Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-]	ZINC000594603888	398829950	/nfs/dbraw/zinc/82/99/50/398829950.db2.gz	WHXYGORVXHIVRJ-ZBFHGGJFSA-N	0	3	300.362	2.895	20	30		DFEDHN
COCCN(C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1	ZINC000598586652	398835795	/nfs/dbraw/zinc/83/57/95/398835795.db2.gz	KIEDRQNEAQCXOG-DOTOQJQBSA-N	0	3	304.434	2.997	20	30		DFEDHN
COc1cc(C)c(CN(C)C[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598584392	398835918	/nfs/dbraw/zinc/83/59/18/398835918.db2.gz	LHJNOMBLECHDCI-OAHLLOKOSA-N	0	3	320.433	2.745	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N	ZINC000598590074	398837071	/nfs/dbraw/zinc/83/70/71/398837071.db2.gz	QCINKOYMWQDVJI-CQSZACIVSA-N	0	3	310.825	2.951	20	30		DFEDHN
COc1cc(C)c([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602300	398839773	/nfs/dbraw/zinc/83/97/73/398839773.db2.gz	MXWHVYWGYRDCRG-KGLIPLIRSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000598595435	398838354	/nfs/dbraw/zinc/83/83/54/398838354.db2.gz	SRJHKSLUUKFTPF-OAHLLOKOSA-N	0	3	324.428	2.953	20	30		DFEDHN
CCC[C@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594657299	398838854	/nfs/dbraw/zinc/83/88/54/398838854.db2.gz	PVLVJHXFUNRTHX-LBPRGKRZSA-N	0	3	309.295	2.958	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C[C@H](O)CC(C)(C)C#N	ZINC000598623055	398842862	/nfs/dbraw/zinc/84/28/62/398842862.db2.gz	UDMJWYDGRSEUSI-RBSFLKMASA-N	0	3	324.465	2.729	20	30		DFEDHN
COc1ccc2c(c1)C1(CC1)CN(C[C@H](O)CC(C)(C)C#N)C2	ZINC000598616113	398842031	/nfs/dbraw/zinc/84/20/31/398842031.db2.gz	JQPRFWHKWLLUBX-OAHLLOKOSA-N	0	3	314.429	2.843	20	30		DFEDHN
N#Cc1cc(Br)ccc1N[C@@H]1CCN(C2CC2)C1	ZINC000132195162	398855517	/nfs/dbraw/zinc/85/55/17/398855517.db2.gz	XHXPKZSDJKEJRC-GFCCVEGCSA-N	0	3	306.207	2.969	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)[C@H]1CCCO1	ZINC000598720470	398860934	/nfs/dbraw/zinc/86/09/34/398860934.db2.gz	NKLWAPWQOIZBCK-BBWFWOEESA-N	0	3	302.418	2.797	20	30		DFEDHN
CCN(CC)[C@@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598719813	398860985	/nfs/dbraw/zinc/86/09/85/398860985.db2.gz	JEOUVUZEDRPSKY-GJZGRUSLSA-N	0	3	307.438	2.553	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccc(Br)cc1	ZINC000598719375	398861054	/nfs/dbraw/zinc/86/10/54/398861054.db2.gz	HBAMBRSZJLVJCR-CYBMUJFWSA-N	0	3	311.223	2.839	20	30		DFEDHN
COC[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000598784679	398873441	/nfs/dbraw/zinc/87/34/41/398873441.db2.gz	WUCLSSOJCRXPKB-CVEARBPZSA-N	0	3	317.433	2.563	20	30		DFEDHN
C=CCCC(=O)NCCc1ccc(OCCN2CCCC2)cc1	ZINC000180881982	199222721	/nfs/dbraw/zinc/22/27/21/199222721.db2.gz	LLOAZERCWHUEEL-UHFFFAOYSA-N	0	3	316.445	2.786	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@]2(C)OC)cc1OCCCC#N	ZINC000594993470	398887834	/nfs/dbraw/zinc/88/78/34/398887834.db2.gz	AAUMOAWVIRQRTC-SJORKVTESA-N	0	3	304.390	2.645	20	30		DFEDHN
C=C(C)CN1CCC(Nc2c(C#N)nnc3ccccc32)CC1	ZINC000077218266	398889521	/nfs/dbraw/zinc/88/95/21/398889521.db2.gz	MSUSDZASRYHYIE-UHFFFAOYSA-N	0	3	307.401	2.954	20	30		DFEDHN
C#CCSCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000181100295	199252610	/nfs/dbraw/zinc/25/26/10/199252610.db2.gz	NFMZFNSHJBVRKQ-LBPRGKRZSA-N	0	3	309.431	2.729	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000598918298	398892818	/nfs/dbraw/zinc/89/28/18/398892818.db2.gz	ZKRYHZNYYFHXFV-IAGOWNOFSA-N	0	3	324.428	2.841	20	30		DFEDHN
N#Cc1ccc(CNCC2CCN(CC(F)F)CC2)c(F)c1	ZINC000598918505	398893674	/nfs/dbraw/zinc/89/36/74/398893674.db2.gz	IPYMMHHXALOEJG-UHFFFAOYSA-N	0	3	311.351	2.764	20	30		DFEDHN
Cn1cc2c(n1)CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000598947775	398895366	/nfs/dbraw/zinc/89/53/66/398895366.db2.gz	MORMDHHNYSITNV-DOTOQJQBSA-N	0	3	322.412	2.686	20	30		DFEDHN
C=CCCSCCN[C@@H](C)c1ccc2c(c1)OCC(=O)N2	ZINC000595058297	398899140	/nfs/dbraw/zinc/89/91/40/398899140.db2.gz	GSUVMDJAADDWEP-LBPRGKRZSA-N	0	3	306.431	2.977	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1F)CC1CC1	ZINC000595259048	398913268	/nfs/dbraw/zinc/91/32/68/398913268.db2.gz	XQPJXZDTPASLPI-QGZVFWFLSA-N	0	3	317.408	2.976	20	30		DFEDHN
N#CC1(CNC(=O)NCc2ccc3c(c2)CNC3)CCCCC1	ZINC000595265282	398914877	/nfs/dbraw/zinc/91/48/77/398914877.db2.gz	NSPWDZWRBAFSNC-UHFFFAOYSA-N	0	3	312.417	2.563	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@H](c2cccs2)N2CCCC2)n1	ZINC000281058269	216051288	/nfs/dbraw/zinc/05/12/88/216051288.db2.gz	YICYFZKJHVXPER-AWEZNQCLSA-N	0	3	313.430	2.967	20	30		DFEDHN
CC1(C)C[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)CO1	ZINC000595305205	398920465	/nfs/dbraw/zinc/92/04/65/398920465.db2.gz	YKWQEIXWJVNESS-HNNXBMFYSA-N	0	3	300.402	2.969	20	30		DFEDHN
COc1ccc([C@@H](CO)N(C)CCc2ccc(C#N)cc2)cc1	ZINC000595316933	398921862	/nfs/dbraw/zinc/92/18/62/398921862.db2.gz	BVIPJZSYROOHCG-LJQANCHMSA-N	0	3	310.397	2.775	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(CCc3ccncc3)CC2)cc1	ZINC000055172523	398922014	/nfs/dbraw/zinc/92/20/14/398922014.db2.gz	SBHWATWAZNOCOV-UHFFFAOYSA-N	0	3	320.440	2.704	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)cc1F	ZINC000192179321	283496507	/nfs/dbraw/zinc/49/65/07/283496507.db2.gz	PHRHJLWYTHPXAK-MRXNPFEDSA-N	0	3	303.381	2.611	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C)cc1	ZINC000189007358	200335338	/nfs/dbraw/zinc/33/53/38/200335338.db2.gz	BKULTVGCKUGIAM-STQMWFEESA-N	0	3	310.825	2.945	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1	ZINC000599149722	398929309	/nfs/dbraw/zinc/92/93/09/398929309.db2.gz	UXKUQQNMBAJYGC-WMZOPIPTSA-N	0	3	318.465	2.729	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2SC)CC1	ZINC000282130367	334989666	/nfs/dbraw/zinc/98/96/66/334989666.db2.gz	GXOIYDFLGCRSFZ-AWEZNQCLSA-N	0	3	316.470	2.931	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CCCCC1	ZINC000599202759	398939552	/nfs/dbraw/zinc/93/95/52/398939552.db2.gz	HHLUPAACLHWEIO-INIZCTEOSA-N	0	3	318.465	2.777	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2ccccc2)C2CC2)CCOCC1	ZINC000599260374	398943790	/nfs/dbraw/zinc/94/37/90/398943790.db2.gz	ZOUFOFYNPVKTNA-GOSISDBHSA-N	0	3	314.429	2.722	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000595463838	398943888	/nfs/dbraw/zinc/94/38/88/398943888.db2.gz	AROBPUNNULZSGZ-CABCVRRESA-N	0	3	312.335	2.736	20	30		DFEDHN
CN1CCN(CCc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000595478999	398946892	/nfs/dbraw/zinc/94/68/92/398946892.db2.gz	YZFILBFHUKAEIM-NRFANRHFSA-N	0	3	319.452	2.959	20	30		DFEDHN
CCn1cnnc1C1CCN(Cc2ccc(C)c(C#N)c2)CC1	ZINC000599289169	398948344	/nfs/dbraw/zinc/94/83/44/398948344.db2.gz	AYXHKKVKPGWRMS-UHFFFAOYSA-N	0	3	309.417	2.858	20	30		DFEDHN
CN1CCN(CCc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000595479000	398947163	/nfs/dbraw/zinc/94/71/63/398947163.db2.gz	YZFILBFHUKAEIM-OAQYLSRUSA-N	0	3	319.452	2.959	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)CC2(C#N)CCOCC2)s1	ZINC000599281888	398947446	/nfs/dbraw/zinc/94/74/46/398947446.db2.gz	WXRYHORBAFYQQF-AWEZNQCLSA-N	0	3	308.447	2.560	20	30		DFEDHN
CC(C)(CO)[C@H](NCCc1ccc(C#N)cc1)c1cccnc1	ZINC000595498062	398950298	/nfs/dbraw/zinc/95/02/98/398950298.db2.gz	APRNPQRRTOXOLB-GOSISDBHSA-N	0	3	309.413	2.845	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCS[C@@H](c3ccccc3)C2)CC1	ZINC000599301354	398950491	/nfs/dbraw/zinc/95/04/91/398950491.db2.gz	DCBLTNWELLDMAF-JKSUJKDBSA-N	0	3	302.443	2.831	20	30		DFEDHN
CO[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000595500250	398951125	/nfs/dbraw/zinc/95/11/25/398951125.db2.gz	CTPUNNGCUYXKNE-IRXDYDNUSA-N	0	3	315.417	2.612	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000272003802	209376097	/nfs/dbraw/zinc/37/60/97/209376097.db2.gz	RXKBSRAHLGGIJA-INIZCTEOSA-N	0	3	304.434	2.606	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC3(CC2)OCc2ccccc23)CC1	ZINC000599310730	398952658	/nfs/dbraw/zinc/95/26/58/398952658.db2.gz	BDQIOLBLXIREKB-INIZCTEOSA-N	0	3	312.413	2.563	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC[C@@H](C)C1	ZINC000595504941	398952430	/nfs/dbraw/zinc/95/24/30/398952430.db2.gz	KWYKBXIVJFWLPM-CVEARBPZSA-N	0	3	320.481	2.880	20	30		DFEDHN
CC(C)[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000271923970	209327796	/nfs/dbraw/zinc/32/77/96/209327796.db2.gz	IQSUABJFDBQFKK-RDTXWAMCSA-N	0	3	319.424	2.705	20	30		DFEDHN
N#Cc1ccc(CCN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000595535403	398958242	/nfs/dbraw/zinc/95/82/42/398958242.db2.gz	ZJGPFHVZPIXCCA-PMACEKPBSA-N	0	3	324.399	2.901	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1nc(C)cs1	ZINC000599359230	398961325	/nfs/dbraw/zinc/96/13/25/398961325.db2.gz	LXUGGGSMKYYQGV-KBPBESRZSA-N	0	3	323.462	2.564	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H](O)CC1(C#N)CC1	ZINC000599365392	398964506	/nfs/dbraw/zinc/96/45/06/398964506.db2.gz	AYZYAYNGKCKVHC-GXTWGEPZSA-N	0	3	304.438	2.652	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](C)N1CCC(C)CC1	ZINC000595547505	398965791	/nfs/dbraw/zinc/96/57/91/398965791.db2.gz	PXNRPWZIAANXQK-OAHLLOKOSA-N	0	3	313.511	2.715	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H](CO)[C@H](C)c1ccccc1	ZINC000613390236	398968948	/nfs/dbraw/zinc/96/89/48/398968948.db2.gz	ZWCIVWPRBOEYBI-KDOFPFPSSA-N	0	3	310.397	2.821	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(OC)ccn1)C(C)C	ZINC000604747431	398969027	/nfs/dbraw/zinc/96/90/27/398969027.db2.gz	YVHRHUZUCRINSH-QGZVFWFLSA-N	0	3	317.433	2.519	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Br)cn1	ZINC000599390092	398971191	/nfs/dbraw/zinc/97/11/91/398971191.db2.gz	DTCYEVXVHIHEJG-JQWIXIFHSA-N	0	3	324.222	2.549	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1C#N	ZINC000599395868	398972670	/nfs/dbraw/zinc/97/26/70/398972670.db2.gz	LEAIWPJPSPRXHD-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000599426320	398977774	/nfs/dbraw/zinc/97/77/74/398977774.db2.gz	BJYRXDDAIWQAMP-IRXDYDNUSA-N	0	3	314.429	2.535	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)Cc2ccccn2)cc1C#N	ZINC000599431543	398979200	/nfs/dbraw/zinc/97/92/00/398979200.db2.gz	KATAIDRUWCEGNX-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000271866098	209281011	/nfs/dbraw/zinc/28/10/11/209281011.db2.gz	WGRWNKDLPISFOD-NOXHYTERSA-N	0	3	315.417	2.534	20	30		DFEDHN
CS[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1N(C)C	ZINC000613430544	398983058	/nfs/dbraw/zinc/98/30/58/398983058.db2.gz	ASVXDSBEWUPMAI-UONOGXRCSA-N	0	3	318.490	2.733	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)nc2)CC1	ZINC000281535253	216367463	/nfs/dbraw/zinc/36/74/63/216367463.db2.gz	RKRZDPCTLIZXQG-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1	ZINC000595591916	398988324	/nfs/dbraw/zinc/98/83/24/398988324.db2.gz	LPSCSUUHMQXHLC-INIZCTEOSA-N	0	3	318.465	2.777	20	30		DFEDHN
CCC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OCC	ZINC000600174314	398988825	/nfs/dbraw/zinc/98/88/25/398988825.db2.gz	LGNFJPPZSLJQCC-DLBZAZTESA-N	0	3	313.401	2.562	20	30		DFEDHN
COc1cccc([C@@]2(C)CCN(C[C@H](O)CC3(C#N)CC3)C2)c1	ZINC000599467655	398989548	/nfs/dbraw/zinc/98/95/48/398989548.db2.gz	IYXDUJHXBFAEGR-AEFFLSMTSA-N	0	3	314.429	2.713	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000271854087	209269089	/nfs/dbraw/zinc/26/90/89/209269089.db2.gz	XHRPRKNGGWALCH-WMLDXEAASA-N	0	3	302.418	2.791	20	30		DFEDHN
CC1(C)[C@@H](c2ccccc2)[C@@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000600186951	398994821	/nfs/dbraw/zinc/99/48/21/398994821.db2.gz	VVHCFTRDABFJDU-IRXDYDNUSA-N	0	3	317.396	2.883	20	30		DFEDHN
COc1ccc(CN(C)CC2(C)COC2)cc1OCCCC#N	ZINC000600190077	398997798	/nfs/dbraw/zinc/99/77/98/398997798.db2.gz	JWRBWSVSBBTDQZ-UHFFFAOYSA-N	0	3	318.417	2.846	20	30		DFEDHN
COC[C@@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1	ZINC000595614548	399000775	/nfs/dbraw/zinc/00/07/75/399000775.db2.gz	DMEKLDUYNHVKFA-MRXNPFEDSA-N	0	3	308.809	2.743	20	30		DFEDHN
CSc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000595623268	399006091	/nfs/dbraw/zinc/00/60/91/399006091.db2.gz	LNTOUEUTXCBILE-LSDHHAIUSA-N	0	3	320.458	2.774	20	30		DFEDHN
N#CC[C@H]1CCCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000595622457	399006344	/nfs/dbraw/zinc/00/63/44/399006344.db2.gz	AUXFXIUVAYKBIQ-QGZVFWFLSA-N	0	3	313.445	2.644	20	30		DFEDHN
CCC(C)(C)[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000595642123	399015698	/nfs/dbraw/zinc/01/56/98/399015698.db2.gz	ORGFWLIZNGOAFT-ZDUSSCGKSA-N	0	3	308.447	2.746	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(N3CCCC3)c2)CC1	ZINC000057175558	399021361	/nfs/dbraw/zinc/02/13/61/399021361.db2.gz	MXZYLDPPGRLHGP-UHFFFAOYSA-N	0	3	311.429	2.571	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000595659394	399023338	/nfs/dbraw/zinc/02/33/38/399023338.db2.gz	LSKFBSJPUHQJIR-INIZCTEOSA-N	0	3	303.450	2.959	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@]1(CO)CCCC(C)(C)C1	ZINC000599594844	399025791	/nfs/dbraw/zinc/02/57/91/399025791.db2.gz	MBIUUAKYTQHPNN-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccccc1	ZINC000079224015	399026840	/nfs/dbraw/zinc/02/68/40/399026840.db2.gz	IHMGNUUMOPCXDV-WBVHZDCISA-N	0	3	316.449	2.871	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)N(C)C[C@H](C)C#N)N(C)C)cc1	ZINC000079223151	399027130	/nfs/dbraw/zinc/02/71/30/399027130.db2.gz	BLXBEBUQEHXFHT-PBHICJAKSA-N	0	3	316.449	2.653	20	30		DFEDHN
CC(C)CC[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000600308023	399030140	/nfs/dbraw/zinc/03/01/40/399030140.db2.gz	ZXHLSNDHKNQOAN-IRXDYDNUSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=CCCCN(C)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000091233438	193023934	/nfs/dbraw/zinc/02/39/34/193023934.db2.gz	RPPCTJZMGHTHBE-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
N#Cc1ccc(C2(NCCO[C@@H]3CC3(F)F)CCOCC2)cc1	ZINC000599629005	399033300	/nfs/dbraw/zinc/03/33/00/399033300.db2.gz	DRMKPVLAJUQSOQ-OAHLLOKOSA-N	0	3	322.355	2.578	20	30		DFEDHN
CS[C@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1	ZINC000092064076	193150729	/nfs/dbraw/zinc/15/07/29/193150729.db2.gz	PGCDKSARGLNQPP-HNNXBMFYSA-N	0	3	300.431	2.923	20	30		DFEDHN
CN1CCC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000618208174	399044231	/nfs/dbraw/zinc/04/42/31/399044231.db2.gz	IUEUHXISDJPLHT-OAHLLOKOSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000595717333	399051586	/nfs/dbraw/zinc/05/15/86/399051586.db2.gz	MPANJKFKWBKMCN-AWEZNQCLSA-N	0	3	324.465	2.511	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CCCC4(CC4)CC3)C2=O)cc1	ZINC000599673519	399055219	/nfs/dbraw/zinc/05/52/19/399055219.db2.gz	RYKKNPDTJAJHNX-KRWDZBQOSA-N	0	3	309.413	2.930	20	30		DFEDHN
N#CCc1cccc2c1CCN(C[C@@H](O)Cc1ccccc1)C2	ZINC000599678594	399058341	/nfs/dbraw/zinc/05/83/41/399058341.db2.gz	WTZXSGLEUXCQBW-IBGZPJMESA-N	0	3	306.409	2.714	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000275282720	212245389	/nfs/dbraw/zinc/24/53/89/212245389.db2.gz	WKSADZFYZGEYKI-HUUCEWRRSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCCCC2)C1	ZINC000595732173	399060497	/nfs/dbraw/zinc/06/04/97/399060497.db2.gz	CRUMZDGDBRXUPV-GOEBONIOSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000595739861	399064719	/nfs/dbraw/zinc/06/47/19/399064719.db2.gz	RDLQSZWYMIQQQA-RDJZCZTQSA-N	0	3	305.466	2.897	20	30		DFEDHN
C#CC[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1	ZINC000271761068	209190893	/nfs/dbraw/zinc/19/08/93/209190893.db2.gz	ZNMKPMMVXOEGHC-HKUYNNGSSA-N	0	3	313.372	2.920	20	30		DFEDHN
COC(=O)C1C[C@H](C)N(CCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000599709178	399072968	/nfs/dbraw/zinc/07/29/68/399072968.db2.gz	PYTAQTXPQXTFTK-KBPBESRZSA-N	0	3	316.401	2.599	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](SC)C2)CC1	ZINC000172336202	399075592	/nfs/dbraw/zinc/07/55/92/399075592.db2.gz	KRAJJMMDZGLHKQ-GJZGRUSLSA-N	0	3	311.495	2.610	20	30		DFEDHN
C=CCC[C@H](C(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1	ZINC000275245615	212221520	/nfs/dbraw/zinc/22/15/20/212221520.db2.gz	GTMSTCAXZMDRHW-ROUUACIJSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCOC2CCCCCC2)CC1	ZINC000172476784	399081336	/nfs/dbraw/zinc/08/13/36/399081336.db2.gz	QTOSMZJJKBLYTK-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CCC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1	ZINC000595780276	399081861	/nfs/dbraw/zinc/08/18/61/399081861.db2.gz	OUQYSJWNEHOVTM-UHFFFAOYSA-N	0	3	303.362	2.672	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(OC(F)F)c1	ZINC000595781498	399083216	/nfs/dbraw/zinc/08/32/16/399083216.db2.gz	LGBFSGIVKGTDAO-ZIAGYGMSSA-N	0	3	308.328	2.553	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1	ZINC000275167727	212166023	/nfs/dbraw/zinc/16/60/23/212166023.db2.gz	WBOZPXIKCKUZBC-HZPDHXFCSA-N	0	3	308.491	2.793	20	30		DFEDHN
CC#CCCCC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000618353660	399092668	/nfs/dbraw/zinc/09/26/68/399092668.db2.gz	LOMANFAXBNSBDF-IBGZPJMESA-N	0	3	312.457	2.955	20	30		DFEDHN
CC#CCCN1CCC(c2nc(C(=O)OCC)cs2)CC1	ZINC000191571980	335001508	/nfs/dbraw/zinc/00/15/08/335001508.db2.gz	AKQMEJQHZMSWRG-UHFFFAOYSA-N	0	3	306.431	2.913	20	30		DFEDHN
C[C@@]1(C#N)CCN(CC2(CN3CC[C@@](C)(C#N)C3)CCC2)C1	ZINC000595841904	399109707	/nfs/dbraw/zinc/10/97/07/399109707.db2.gz	PHUMNPVBBIIVKO-IRXDYDNUSA-N	0	3	300.450	2.628	20	30		DFEDHN
COc1ccc(CNCCOc2ccc(C#N)cc2)c(OC)c1	ZINC000174561103	399114383	/nfs/dbraw/zinc/11/43/83/399114383.db2.gz	BAROYJKPIAQCQR-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
C#CCCCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000284565317	335013554	/nfs/dbraw/zinc/01/35/54/335013554.db2.gz	YNGDMJFLCSTJFR-QGZVFWFLSA-N	0	3	302.418	2.608	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1C#N	ZINC000340174949	284155737	/nfs/dbraw/zinc/15/57/37/284155737.db2.gz	UCCOCGQVSKYLAH-HZPDHXFCSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(Cl)cc2)CCOCC1	ZINC000600713407	399122034	/nfs/dbraw/zinc/12/20/34/399122034.db2.gz	IKMZOKSPCOFDPL-OAHLLOKOSA-N	0	3	308.809	2.501	20	30		DFEDHN
CC(C)COc1ccccc1CNC[C@H](O)CC1(C#N)CC1	ZINC000600719934	399123188	/nfs/dbraw/zinc/12/31/88/399123188.db2.gz	LTMOGHFSLBOFSV-MRXNPFEDSA-N	0	3	302.418	2.866	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000600717176	399123381	/nfs/dbraw/zinc/12/33/81/399123381.db2.gz	JOTYKLWPMYFDOZ-OAHLLOKOSA-N	0	3	322.330	2.701	20	30		DFEDHN
C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)o1	ZINC000600717580	399122847	/nfs/dbraw/zinc/12/28/47/399122847.db2.gz	RAPPBTCHZXUUQE-IIAWOOMASA-N	0	3	318.417	2.564	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(-c3cccnc3)cc2)CC1	ZINC000600725512	399125016	/nfs/dbraw/zinc/12/50/16/399125016.db2.gz	CIKGCMDIOARETF-GOSISDBHSA-N	0	3	307.397	2.893	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1	ZINC000600720452	399124227	/nfs/dbraw/zinc/12/42/27/399124227.db2.gz	PQIYYLXPJCDEGI-GVDBMIGSSA-N	0	3	318.392	2.690	20	30		DFEDHN
C=CCc1cc(CN(C)CCOCC2CC2)cc(OC)c1O	ZINC000093818535	193313030	/nfs/dbraw/zinc/31/30/30/193313030.db2.gz	PAKDMUGBONAPFF-UHFFFAOYSA-N	0	3	305.418	2.988	20	30		DFEDHN
CSCc1cc(F)ccc1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600732187	399129041	/nfs/dbraw/zinc/12/90/41/399129041.db2.gz	YDBNBVSMYOPEFU-HNNXBMFYSA-N	0	3	308.422	2.833	20	30		DFEDHN
COC1CCN(CCNc2cc(C#N)nc3ccccc32)CC1	ZINC000080249818	399131567	/nfs/dbraw/zinc/13/15/67/399131567.db2.gz	GCJAZRMKFPFICA-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
CC(C)(NC(=O)c1cccc2c1CNC2)c1cccc(C#N)c1	ZINC000595959531	399141220	/nfs/dbraw/zinc/14/12/20/399141220.db2.gz	FSXUMZULPLGVPL-UHFFFAOYSA-N	0	3	305.381	2.827	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600781243	399144195	/nfs/dbraw/zinc/14/41/95/399144195.db2.gz	CGWIVWPRNWWUHS-GOSISDBHSA-N	0	3	311.429	2.512	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NC[C@H](C)C#N)c1ccsc1	ZINC000182523322	399144269	/nfs/dbraw/zinc/14/42/69/399144269.db2.gz	GYQXJZXHZDDAQJ-TZMCWYRMSA-N	0	3	308.451	2.590	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000607155164	399146109	/nfs/dbraw/zinc/14/61/09/399146109.db2.gz	NURRXMBKAUSSBL-CGTJXYLNSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000134880438	335014479	/nfs/dbraw/zinc/01/44/79/335014479.db2.gz	WVKCXBLNRRIWLK-JZXOWHBKSA-N	0	3	316.445	2.747	20	30		DFEDHN
CC(C)C1CCC(N2CCN(C(=O)NC[C@H](C)C#N)CC2)CC1	ZINC000182776297	399150541	/nfs/dbraw/zinc/15/05/41/399150541.db2.gz	QYVKPIRHMLAJJD-KLAILNCOSA-N	0	3	320.481	2.688	20	30		DFEDHN
C=CCc1cc(CN(C)[C@H](C)CC(=O)OCC)cc(OC)c1O	ZINC000183179325	399152950	/nfs/dbraw/zinc/15/29/50/399152950.db2.gz	CLWGQQHOMLFNFY-CYBMUJFWSA-N	0	3	321.417	2.903	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccsc1	ZINC000061362686	399154715	/nfs/dbraw/zinc/15/47/15/399154715.db2.gz	CUZMYUOLSCMHFI-SWLSCSKDSA-N	0	3	302.399	2.710	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)NCCN(C)C1CC1	ZINC000264883378	204236677	/nfs/dbraw/zinc/23/66/77/204236677.db2.gz	RKSPIRAAKRWCBS-UHFFFAOYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C#CCOc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1	ZINC000264992588	204329853	/nfs/dbraw/zinc/32/98/53/204329853.db2.gz	XGTQJADFFKFLKD-KRWDZBQOSA-N	0	3	308.381	2.966	20	30		DFEDHN
C[C@H](CNC(=O)NCc1cccc(C#N)c1)N1CCCC[C@@H]1C	ZINC000061915104	399165498	/nfs/dbraw/zinc/16/54/98/399165498.db2.gz	VJPDDKKNOSTJCX-LSDHHAIUSA-N	0	3	314.433	2.620	20	30		DFEDHN
COC(=O)[C@]1(C)CCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614171603	399169276	/nfs/dbraw/zinc/16/92/76/399169276.db2.gz	SZYZRWKKAKIZBQ-GOSISDBHSA-N	0	3	300.402	2.873	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N[C@H](C)CCC	ZINC000284928091	335015413	/nfs/dbraw/zinc/01/54/13/335015413.db2.gz	AKBCCJAFDMAVNC-SOLBZPMBSA-N	0	3	300.446	2.904	20	30		DFEDHN
COc1cc(CN2CCCC3(CCOCC3)C2)ccc1C#N	ZINC000282504229	217046322	/nfs/dbraw/zinc/04/63/22/217046322.db2.gz	YKHHWTATNVJEPG-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
Cc1ccc([C@H](CNc2c(C#N)cnn2C)N2CCCC2)cc1	ZINC000596096528	399172009	/nfs/dbraw/zinc/17/20/09/399172009.db2.gz	IRMMIHSBFSZVQV-KRWDZBQOSA-N	0	3	309.417	2.849	20	30		DFEDHN
Cc1cc(CN2CCC(c3nnc4n3CCC4)CC2)ccc1C#N	ZINC000618593552	399175629	/nfs/dbraw/zinc/17/56/29/399175629.db2.gz	CMJFXFZQNBBZBI-UHFFFAOYSA-N	0	3	321.428	2.784	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CC1	ZINC000193488969	399177114	/nfs/dbraw/zinc/17/71/14/399177114.db2.gz	DGXCSIJZOZNFCN-ZDUSSCGKSA-N	0	3	303.381	2.803	20	30		DFEDHN
N#Cc1ccc(OCCN2CCOCC3(CCCC3)C2)cc1	ZINC000614222900	399179433	/nfs/dbraw/zinc/17/94/33/399179433.db2.gz	OVLPXUXLBBKFBR-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000288264910	220051177	/nfs/dbraw/zinc/05/11/77/220051177.db2.gz	GRPZLBQWPNGCQU-TZMCWYRMSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000288264898	220050517	/nfs/dbraw/zinc/05/05/17/220050517.db2.gz	GRPZLBQWPNGCQU-JSGCOSHPSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1	ZINC000288281321	220061268	/nfs/dbraw/zinc/06/12/68/220061268.db2.gz	QDOPJLFHUYIVJC-KXBFYZLASA-N	0	3	319.408	2.951	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(C#N)cnn1	ZINC000596145876	399190353	/nfs/dbraw/zinc/19/03/53/399190353.db2.gz	ZCFDYOXBPRHQPA-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1nc2ncccc2cc1C#N	ZINC000596160698	399196956	/nfs/dbraw/zinc/19/69/56/399196956.db2.gz	SLSOSQWIVDIETD-UHFFFAOYSA-N	0	3	321.384	2.663	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601013627	399203072	/nfs/dbraw/zinc/20/30/72/399203072.db2.gz	HRHNGJZKTCGGQM-ZNMIVQPWSA-N	0	3	303.450	2.553	20	30		DFEDHN
COc1cc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)ccc1C#N	ZINC000282971436	217360577	/nfs/dbraw/zinc/36/05/77/217360577.db2.gz	IPWKVBDRKLISJN-INIZCTEOSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1cc(CN2CCC[C@H](c3cc(C)n[nH]3)C2)ccc1C#N	ZINC000282971436	217360578	/nfs/dbraw/zinc/36/05/78/217360578.db2.gz	IPWKVBDRKLISJN-INIZCTEOSA-N	0	3	310.401	2.978	20	30		DFEDHN
C[C@H]1CN(C[C@@H]2CCCN2CC#Cc2ccccc2)C[C@H](C)O1	ZINC000191964997	335019995	/nfs/dbraw/zinc/01/99/95/335019995.db2.gz	RRBSEVSWYYVGFE-BJLQDIEVSA-N	0	3	312.457	2.612	20	30		DFEDHN
N#CCc1ccc(OC[C@]2(O)CCN(Cc3ccccc3)C2)cc1	ZINC000601068579	399216509	/nfs/dbraw/zinc/21/65/09/399216509.db2.gz	HNZIRAJKEBHHAP-FQEVSTJZSA-N	0	3	322.408	2.768	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN(CC#Cc3ccccc3)C2)n1	ZINC000192007349	335022418	/nfs/dbraw/zinc/02/24/18/335022418.db2.gz	BXXMLEFIWUEPID-LJQANCHMSA-N	0	3	308.429	2.659	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000267491106	206103351	/nfs/dbraw/zinc/10/33/51/206103351.db2.gz	GCIHJZDIOKZGQB-SJLPKXTDSA-N	0	3	313.445	2.704	20	30		DFEDHN
N#Cc1ccc(CNCC[C@H](O)C(F)F)c(C(F)(F)F)c1	ZINC000601147025	399241124	/nfs/dbraw/zinc/24/11/24/399241124.db2.gz	HBFZKKZNYAOVFG-NSHDSACASA-N	0	3	308.250	2.683	20	30		DFEDHN
CCc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000023389681	182360261	/nfs/dbraw/zinc/36/02/61/182360261.db2.gz	PLEZXDRHGJILMW-IBGZPJMESA-N	0	3	324.424	2.992	20	30		DFEDHN
C#CC(C)(C)N(C)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000286355076	335033319	/nfs/dbraw/zinc/03/33/19/335033319.db2.gz	XYGKUAZZCMTDHC-SFHVURJKSA-N	0	3	300.446	2.621	20	30		DFEDHN
Cc1cccc(CN2CC[C@H](Nc3nc(C)cc(C#N)n3)C2)c1	ZINC000601240636	399262575	/nfs/dbraw/zinc/26/25/75/399262575.db2.gz	VZHGLCUZYZTLST-INIZCTEOSA-N	0	3	307.401	2.652	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1	ZINC000601239527	399262620	/nfs/dbraw/zinc/26/26/20/399262620.db2.gz	MJFJELCIRFTCOV-HOCLYGCPSA-N	0	3	300.406	2.904	20	30		DFEDHN
C[C@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000601294398	399271898	/nfs/dbraw/zinc/27/18/98/399271898.db2.gz	NTXCDQLXYKWANH-LBPRGKRZSA-N	0	3	322.380	2.706	20	30		DFEDHN
N#CCCN1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000601315463	399275789	/nfs/dbraw/zinc/27/57/89/399275789.db2.gz	KHKYSUDZDFYZEH-UHFFFAOYSA-N	0	3	322.456	2.922	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601622170	399310296	/nfs/dbraw/zinc/31/02/96/399310296.db2.gz	SSOVHNGAZXYHDI-UHFFFAOYSA-N	0	3	313.401	2.779	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)s1	ZINC000601623375	399310310	/nfs/dbraw/zinc/31/03/10/399310310.db2.gz	ZLTJITRTIUOYNL-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1cscc1C#N	ZINC000601622172	399310340	/nfs/dbraw/zinc/31/03/40/399310340.db2.gz	STCKQQCNBPDRRJ-UHFFFAOYSA-N	0	3	315.398	2.942	20	30		DFEDHN
Cc1nccn1[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000609260616	399311629	/nfs/dbraw/zinc/31/16/29/399311629.db2.gz	ZIFLEWWNHAOKMX-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
Cc1nccn1[C@@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000609260414	399311775	/nfs/dbraw/zinc/31/17/75/399311775.db2.gz	LXFGEVFVNKEYEA-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C)C1	ZINC000043329094	183355514	/nfs/dbraw/zinc/35/55/14/183355514.db2.gz	KGZRPJLFCCLZMW-KGLIPLIRSA-N	0	3	300.406	2.800	20	30		DFEDHN
N#CCc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000601679435	399319862	/nfs/dbraw/zinc/31/98/62/399319862.db2.gz	JBXCXTQJGKYANY-KRWDZBQOSA-N	0	3	311.429	2.889	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)C(C)C	ZINC000051739026	425883374	/nfs/dbraw/zinc/88/33/74/425883374.db2.gz	JVJZVUIUCIGSPA-CQSZACIVSA-N	0	3	321.425	2.747	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC(F)(F)C2)cc1	ZINC000619298566	399326471	/nfs/dbraw/zinc/32/64/71/399326471.db2.gz	VWFXBSIJYFIXAQ-KBPBESRZSA-N	0	3	303.312	2.545	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(NC(=O)c2oc(C)cc2C)CC1	ZINC000623128222	399327561	/nfs/dbraw/zinc/32/75/61/399327561.db2.gz	MTSOYZGCIXQQPH-CQSZACIVSA-N	0	3	302.418	2.893	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(NC(=O)c2oc(C)cc2C)CC1	ZINC000623128221	399327681	/nfs/dbraw/zinc/32/76/81/399327681.db2.gz	MTSOYZGCIXQQPH-AWEZNQCLSA-N	0	3	302.418	2.893	20	30		DFEDHN
Cc1ncc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000601764012	399332113	/nfs/dbraw/zinc/33/21/13/399332113.db2.gz	ATIBOCLZCJKTJB-NHYWBVRUSA-N	0	3	324.409	2.883	20	30		DFEDHN
N#CC[C@@H](CC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1	ZINC000619435594	399345653	/nfs/dbraw/zinc/34/56/53/399345653.db2.gz	ALSDYUHCAYXBCK-ZWKOTPCHSA-N	0	3	311.429	2.674	20	30		DFEDHN
Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)c1	ZINC000601849650	399349822	/nfs/dbraw/zinc/34/98/22/399349822.db2.gz	ITXJSQRUHFAKKI-LJQANCHMSA-N	0	3	319.408	2.871	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)c1cccc(C#N)c1	ZINC000610335269	399357504	/nfs/dbraw/zinc/35/75/04/399357504.db2.gz	ILMQUFSUVXGCRA-GJZGRUSLSA-N	0	3	314.433	2.793	20	30		DFEDHN
CC(C)N1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000619508460	399355102	/nfs/dbraw/zinc/35/51/02/399355102.db2.gz	YRRVSXMJKRVZOF-FUHWJXTLSA-N	0	3	311.429	2.925	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000601953236	399367792	/nfs/dbraw/zinc/36/77/92/399367792.db2.gz	DPEXTZFREPGZSK-RBUKOAKNSA-N	0	3	316.445	2.682	20	30		DFEDHN
COc1cc(CN[C@H](CO)[C@@H](C)c2ccccc2)ccc1C#N	ZINC000619654012	399371332	/nfs/dbraw/zinc/37/13/32/399371332.db2.gz	YVONSMHFHFFUQJ-KBXCAEBGSA-N	0	3	310.397	2.821	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccsc2C(F)(F)F)CC1	ZINC000601967459	399371579	/nfs/dbraw/zinc/37/15/79/399371579.db2.gz	JLRWIYOHVAOTFE-SNVBAGLBSA-N	0	3	304.337	2.911	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](n3ccnc3C)C2)ccc1C#N	ZINC000619674414	399374902	/nfs/dbraw/zinc/37/49/02/399374902.db2.gz	IYVRHOQCKJLEHO-QGZVFWFLSA-N	0	3	310.401	2.909	20	30		DFEDHN
CN(C)C[C@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000610520195	399376831	/nfs/dbraw/zinc/37/68/31/399376831.db2.gz	JFXKZAJWAQPDDK-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1c(F)cccc1CNC1CCN(c2ccccn2)CC1	ZINC000602002153	399380496	/nfs/dbraw/zinc/38/04/96/399380496.db2.gz	BVRMVUJKFAXQJS-UHFFFAOYSA-N	0	3	310.376	2.851	20	30		DFEDHN
COc1ccccc1[C@H](CNc1cnc(C#N)cn1)N1CCCC1	ZINC000106462525	194217686	/nfs/dbraw/zinc/21/76/86/194217686.db2.gz	BJQYHVLCRKGBKG-INIZCTEOSA-N	0	3	323.400	2.606	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1CCOc1cccc(C#N)c1	ZINC000610582998	399382447	/nfs/dbraw/zinc/38/24/47/399382447.db2.gz	KKDFIRIGOLAQLC-QZTJIDSGSA-N	0	3	313.445	2.886	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1cc(C#N)ccc1Cl	ZINC000285113864	218295197	/nfs/dbraw/zinc/29/51/97/218295197.db2.gz	JNHXSROSSLFRJZ-LBPRGKRZSA-N	0	3	305.809	2.816	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@@H]1CCOC2(CCOCC2)C1	ZINC000602010572	399383139	/nfs/dbraw/zinc/38/31/39/399383139.db2.gz	GCIHRNFRORMHIF-CQSZACIVSA-N	0	3	304.365	2.515	20	30		DFEDHN
Cc1nn(C)c(C)c1CCCNCc1cccc(F)c1C#N	ZINC000602015542	399384622	/nfs/dbraw/zinc/38/46/22/399384622.db2.gz	LWUJGDKSHISICZ-UHFFFAOYSA-N	0	3	300.381	2.770	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000610674009	399391277	/nfs/dbraw/zinc/39/12/77/399391277.db2.gz	RVHPOCYRDQKAES-QMTHXVAHSA-N	0	3	306.797	2.673	20	30		DFEDHN
C[C@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)C(C)(C)C	ZINC000619844440	399396351	/nfs/dbraw/zinc/39/63/51/399396351.db2.gz	RCZOEMIBMPEIHR-ZIAGYGMSSA-N	0	3	301.438	2.541	20	30		DFEDHN
CN(CC(=O)N[C@]1(C#N)CCc2ccccc2C1)CC(C)(C)C	ZINC000602136682	399400346	/nfs/dbraw/zinc/40/03/46/399400346.db2.gz	ACUXEHXUMCCKTQ-LJQANCHMSA-N	0	3	313.445	2.532	20	30		DFEDHN
CN(CC(=O)N1CCc2c(CC#N)cccc2C1)CC(C)(C)C	ZINC000602192018	399407598	/nfs/dbraw/zinc/40/75/98/399407598.db2.gz	CHYMXQWAKYKQFB-UHFFFAOYSA-N	0	3	313.445	2.615	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)[nH]1	ZINC000611030208	399429395	/nfs/dbraw/zinc/42/93/95/399429395.db2.gz	FVWRDFIYVSPBJI-GOSISDBHSA-N	0	3	322.412	2.843	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NCCN1CCCC[C@@H]1C	ZINC000058452273	184119338	/nfs/dbraw/zinc/11/93/38/184119338.db2.gz	HLHGQIZAGLEVLV-AWEZNQCLSA-N	0	3	300.406	2.863	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CSCCN(C)C)c1C#N	ZINC000611131930	399437505	/nfs/dbraw/zinc/43/75/05/399437505.db2.gz	ZGGRRWMAOZIASM-UHFFFAOYSA-N	0	3	300.431	2.847	20	30		DFEDHN
CCN(CC(=O)Nc1cccc(OC)c1)C[C@@H](C)CCC#N	ZINC000602434000	399443363	/nfs/dbraw/zinc/44/33/63/399443363.db2.gz	NZOQKBUWHBOYPP-AWEZNQCLSA-N	0	3	303.406	2.895	20	30		DFEDHN
Cc1cc(N2CCN(C[C@@H](C)CCC#N)CC2)nc(C(C)C)n1	ZINC000602435728	399443417	/nfs/dbraw/zinc/44/34/17/399443417.db2.gz	LHGOYSGNEFKBDM-HNNXBMFYSA-N	0	3	315.465	2.970	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCCN(C(=O)c2ccsc2)CC1	ZINC000602448522	399446763	/nfs/dbraw/zinc/44/67/63/399446763.db2.gz	LDHREQGGSWIMHL-AWEZNQCLSA-N	0	3	305.447	2.836	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(CCCOCC(F)(F)F)CC1	ZINC000602453837	399448447	/nfs/dbraw/zinc/44/84/47/399448447.db2.gz	KGADPKGKJGIKBA-AWEZNQCLSA-N	0	3	321.387	2.513	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2Br)CC1	ZINC000063450710	184282123	/nfs/dbraw/zinc/28/21/23/184282123.db2.gz	ZAQLZUGYZYOHQR-UHFFFAOYSA-N	0	3	321.218	2.733	20	30		DFEDHN
COc1ccccc1OCCN[C@H](C)CC1(C#N)CCOCC1	ZINC000602508956	399464267	/nfs/dbraw/zinc/46/42/67/399464267.db2.gz	PIOJSIXEYFWCOF-OAHLLOKOSA-N	0	3	318.417	2.763	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(O)(c2ccccc2Cl)CC1	ZINC000193152596	335045639	/nfs/dbraw/zinc/04/56/39/335045639.db2.gz	MGZFNZJAXUSFGX-AWEZNQCLSA-N	0	3	309.837	2.951	20	30		DFEDHN
C[C@H](NC[C@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000611387678	399469031	/nfs/dbraw/zinc/46/90/31/399469031.db2.gz	SCOJRRGXNBNNPY-KXBFYZLASA-N	0	3	310.397	2.787	20	30		DFEDHN
COc1cccc([C@@H](CNc2nc(C#N)ccc2C)N(C)C)c1	ZINC000611398980	399470967	/nfs/dbraw/zinc/47/09/67/399470967.db2.gz	FGGBZIBGGGPKQO-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
Cc1ccc(C#N)nc1NCCCCN1C[C@@H](C)O[C@@H](C)C1	ZINC000611400178	399471043	/nfs/dbraw/zinc/47/10/43/399471043.db2.gz	ZUFTYZCAKGOQSJ-GASCZTMLSA-N	0	3	302.422	2.563	20	30		DFEDHN
N#Cc1cccc(CNC[C@H]2CCCN2Cc2ccccc2)n1	ZINC000602548593	399472940	/nfs/dbraw/zinc/47/29/40/399472940.db2.gz	SXLZWLPZKJDSDV-LJQANCHMSA-N	0	3	306.413	2.707	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@@H](C)c1c(C)noc1C	ZINC000611408994	399471483	/nfs/dbraw/zinc/47/14/83/399471483.db2.gz	AEXNQIPIHUTHAZ-NSHDSACASA-N	0	3	315.373	2.901	20	30		DFEDHN
C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1	ZINC000611438616	399476810	/nfs/dbraw/zinc/47/68/10/399476810.db2.gz	JLNGJCSHGRTXGY-KSSFIOAISA-N	0	3	311.429	3.000	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)n1	ZINC000602565104	399477436	/nfs/dbraw/zinc/47/74/36/399477436.db2.gz	PPKNDJLMGGRDGU-MRXNPFEDSA-N	0	3	312.804	2.975	20	30		DFEDHN
N#CC1CCC(N[C@@H]2CCN(c3ccccc3F)C2=O)CC1	ZINC000602560016	399476018	/nfs/dbraw/zinc/47/60/18/399476018.db2.gz	ADVHUEVXFQIGIF-SSDMNJCBSA-N	0	3	301.365	2.603	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1csc(C(F)(F)F)c1	ZINC000602570492	399478715	/nfs/dbraw/zinc/47/87/15/399478715.db2.gz	AJDRTCFCOYIEHC-JTQLQIEISA-N	0	3	319.352	2.794	20	30		DFEDHN
CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)[C@@H](C)C1	ZINC000611587813	399497564	/nfs/dbraw/zinc/49/75/64/399497564.db2.gz	SXAXKDIHAZDDJP-JKDFXYPNSA-N	0	3	303.381	2.605	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@H]1NCc1cccc(C#N)n1	ZINC000602639864	399499897	/nfs/dbraw/zinc/49/98/97/399499897.db2.gz	BSWQXFNHCXWSAM-HZPDHXFCSA-N	0	3	301.390	2.555	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccn(C(F)F)c1=O	ZINC000602638156	399499244	/nfs/dbraw/zinc/49/92/44/399499244.db2.gz	DJOSXAIKKPSRBX-HNNXBMFYSA-N	0	3	315.323	2.892	20	30		DFEDHN
CN(C)[C@@H]1CCOc2c(NCc3cccc(C#N)n3)cccc21	ZINC000602638359	399499283	/nfs/dbraw/zinc/49/92/83/399499283.db2.gz	ADELWKSKIQOGDM-QGZVFWFLSA-N	0	3	308.385	2.951	20	30		DFEDHN
COC1(c2nc(C3CC3)no2)CCN(C[C@@H](C)CCC#N)CC1	ZINC000602650259	399502292	/nfs/dbraw/zinc/50/22/92/399502292.db2.gz	DPIIAPMFUQDFIL-ZDUSSCGKSA-N	0	3	318.421	2.824	20	30		DFEDHN
C[C@H](CCC#N)CN[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000602650076	399502306	/nfs/dbraw/zinc/50/23/06/399502306.db2.gz	RHAZWWILZHFEEP-ZWNOBZJWSA-N	0	3	324.222	2.505	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1F)C(C)C	ZINC000287749470	335047211	/nfs/dbraw/zinc/04/72/11/335047211.db2.gz	WWSKCDWQVFPHDJ-HNNXBMFYSA-N	0	3	305.397	2.649	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)c(F)c1	ZINC000269470337	207567084	/nfs/dbraw/zinc/56/70/84/207567084.db2.gz	ZSSJOMMDEJBPLO-OAHLLOKOSA-N	0	3	316.351	2.777	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1	ZINC000611709250	399509826	/nfs/dbraw/zinc/50/98/26/399509826.db2.gz	ZXRHESHASSQEMG-UHFFFAOYSA-N	0	3	313.361	2.600	20	30		DFEDHN
COc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccc1C#N	ZINC000602669079	399512225	/nfs/dbraw/zinc/51/22/25/399512225.db2.gz	ZXAKMXJHVMIBDI-AWEZNQCLSA-N	0	3	313.401	2.755	20	30		DFEDHN
CCn1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)c1	ZINC000616786131	399512727	/nfs/dbraw/zinc/51/27/27/399512727.db2.gz	KRBYKQJFELGMFP-UHFFFAOYSA-N	0	3	310.401	2.840	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1CC	ZINC000120031081	195083465	/nfs/dbraw/zinc/08/34/65/195083465.db2.gz	WBBGOVYJHWCAQS-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1CC	ZINC000120031247	195083507	/nfs/dbraw/zinc/08/35/07/195083507.db2.gz	WBBGOVYJHWCAQS-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@H]1COCc2ccccc21	ZINC000602694810	399524495	/nfs/dbraw/zinc/52/44/95/399524495.db2.gz	KAEITXPMBKGKQY-YOEHRIQHSA-N	0	3	300.402	2.946	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NCCCN(C)Cc1ccccc1)OCC	ZINC000270109577	208167919	/nfs/dbraw/zinc/16/79/19/208167919.db2.gz	JEKOJQWPDWBMDL-GOSISDBHSA-N	0	3	318.461	2.996	20	30		DFEDHN
C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)C(C)(C)n1cncn1	ZINC000602711826	399533818	/nfs/dbraw/zinc/53/38/18/399533818.db2.gz	RIQMHDDURFHCPS-CQSZACIVSA-N	0	3	309.417	2.942	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1	ZINC000287631254	335048763	/nfs/dbraw/zinc/04/87/63/335048763.db2.gz	KJGBDWOSXUQDIG-DZGCQCFKSA-N	0	3	313.319	2.898	20	30		DFEDHN
Cc1ccncc1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1	ZINC000611939030	399546130	/nfs/dbraw/zinc/54/61/30/399546130.db2.gz	MQBXZTLMRJKDCK-AWEZNQCLSA-N	0	3	308.385	2.941	20	30		DFEDHN
Cc1ccncc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1	ZINC000611939660	399547146	/nfs/dbraw/zinc/54/71/46/399547146.db2.gz	SRUPMCUHDSURDZ-CQSZACIVSA-N	0	3	308.385	2.941	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](CCC)c1ccc(OC)cc1	ZINC000272926656	210313847	/nfs/dbraw/zinc/31/38/47/210313847.db2.gz	YVSRLEQNJQTZEX-MRXNPFEDSA-N	0	3	311.447	2.727	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1	ZINC000272888353	210278850	/nfs/dbraw/zinc/27/88/50/210278850.db2.gz	YYYHNONICYVBDO-QAPCUYQASA-N	0	3	311.429	2.701	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@H](O)C[C@@](C)(O)C1CC1	ZINC000602770124	399565657	/nfs/dbraw/zinc/56/56/57/399565657.db2.gz	WHQZOLKSUBMDFF-RTBURBONSA-N	0	3	316.445	2.681	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288006966	335051201	/nfs/dbraw/zinc/05/12/01/335051201.db2.gz	KTTKXNHSHRARKC-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)Nc3ccccc3O)CC2)CC1	ZINC000602785032	399572150	/nfs/dbraw/zinc/57/21/50/399572150.db2.gz	ROSLETBUWVKRSY-UHFFFAOYSA-N	0	3	313.401	2.737	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000602792103	399575545	/nfs/dbraw/zinc/57/55/45/399575545.db2.gz	VNTBMGQTFJDLNO-UHFFFAOYSA-N	0	3	322.412	2.903	20	30		DFEDHN
N#CCC1(CN[C@H](Cn2ccccc2=O)c2ccccc2)CC1	ZINC000602822450	399588603	/nfs/dbraw/zinc/58/86/03/399588603.db2.gz	FSZPRXZCAQNSEP-QGZVFWFLSA-N	0	3	307.397	2.873	20	30		DFEDHN
N#CCC1(CN2CCC(O)(Cc3ccc(F)cc3)CC2)CC1	ZINC000602821158	399589045	/nfs/dbraw/zinc/58/90/45/399589045.db2.gz	WIOVJROVRMOVPB-UHFFFAOYSA-N	0	3	302.393	2.889	20	30		DFEDHN
N#CCC1(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)CC1	ZINC000602828079	399591583	/nfs/dbraw/zinc/59/15/83/399591583.db2.gz	RMUPTVOQWUQEPN-UHFFFAOYSA-N	0	3	307.401	2.926	20	30		DFEDHN
COCCCN(C)CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000156367245	197108119	/nfs/dbraw/zinc/10/81/19/197108119.db2.gz	SWMJCNMAMMOPES-UHFFFAOYSA-N	0	3	301.308	2.905	20	30		DFEDHN
C=C(C)CNC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000156201785	197094690	/nfs/dbraw/zinc/09/46/90/197094690.db2.gz	FDNWPEDQIKUAOI-UHFFFAOYSA-N	0	3	301.434	2.835	20	30		DFEDHN
Cc1cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c2ccccc2n1	ZINC000602854268	399603479	/nfs/dbraw/zinc/60/34/79/399603479.db2.gz	BFJXHDVJJXXLGB-HOTGVXAUSA-N	0	3	308.429	2.961	20	30		DFEDHN
Cc1cc(C)cc(OCCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1	ZINC000602855331	399604712	/nfs/dbraw/zinc/60/47/12/399604712.db2.gz	GUDPCONQLJXHFQ-QZTJIDSGSA-N	0	3	315.461	2.991	20	30		DFEDHN
COCC[C@H](c1ccccc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856341	399604898	/nfs/dbraw/zinc/60/48/98/399604898.db2.gz	ZGCMPKZROBFAFQ-XYJFISCASA-N	0	3	301.434	2.682	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)c(OC)c1	ZINC000294697083	224175735	/nfs/dbraw/zinc/17/57/35/224175735.db2.gz	CSBPUVWDFJOQMC-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1sccc1C#N	ZINC000052050346	542446678	/nfs/dbraw/zinc/44/66/78/542446678.db2.gz	JEYWBHQAHKBTJM-FRRDWIJNSA-N	0	3	305.447	2.716	20	30		DFEDHN
CN1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1C(C)(C)C	ZINC000602874979	399611314	/nfs/dbraw/zinc/61/13/14/399611314.db2.gz	WZEHMNCIPQVDKQ-GOSISDBHSA-N	0	3	315.461	2.989	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1	ZINC000625700552	399616027	/nfs/dbraw/zinc/61/60/27/399616027.db2.gz	KEXVIASFCAJCOI-KBPBESRZSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(Cc2ccc(C)o2)C2CC2)C1	ZINC000625702606	399616768	/nfs/dbraw/zinc/61/67/68/399616768.db2.gz	ZSSFLAXJHVBYRJ-OAHLLOKOSA-N	0	3	302.418	2.977	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccccc2OC)C1	ZINC000625702488	399617034	/nfs/dbraw/zinc/61/70/34/399617034.db2.gz	GPFMMQGMZPFSOQ-HNNXBMFYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@H]2CCOc3ccccc32)C1	ZINC000625702384	399617240	/nfs/dbraw/zinc/61/72/40/399617240.db2.gz	XZIKLLXKSOISPT-ZBFHGGJFSA-N	0	3	300.402	2.524	20	30		DFEDHN
Cc1cncc(CCN2CCC(Nc3ccccc3C#N)CC2)n1	ZINC000602902202	399620671	/nfs/dbraw/zinc/62/06/71/399620671.db2.gz	VIGIBRUVJTUDJZ-UHFFFAOYSA-N	0	3	321.428	2.776	20	30		DFEDHN
CCn1cc(CCN2CCC(c3ccc(C#N)cn3)CC2)cn1	ZINC000602907080	399622411	/nfs/dbraw/zinc/62/24/11/399622411.db2.gz	LAFGKTMQVPMZEK-UHFFFAOYSA-N	0	3	309.417	2.592	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)C2CCCC2)c(Br)c1	ZINC000289515296	221034028	/nfs/dbraw/zinc/03/40/28/221034028.db2.gz	LZQCUNWDIJIMDB-OAHLLOKOSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCOCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	ZINC000625747091	399629521	/nfs/dbraw/zinc/62/95/21/399629521.db2.gz	OVGXTFHNEUETLX-TZMCWYRMSA-N	0	3	301.308	2.713	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289690738	221157090	/nfs/dbraw/zinc/15/70/90/221157090.db2.gz	ICQYTEJMXTZVPK-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602924179	399629286	/nfs/dbraw/zinc/62/92/86/399629286.db2.gz	LZWNGNWEHAVMGO-GDIGMMSISA-N	0	3	308.381	2.743	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2COc3ccccc3[C@H]2O)c1	ZINC000288585736	335056958	/nfs/dbraw/zinc/05/69/58/335056958.db2.gz	ODEKGTPLFHINAW-IEBWSBKVSA-N	0	3	311.381	2.836	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C	ZINC000620912716	399630893	/nfs/dbraw/zinc/63/08/93/399630893.db2.gz	RGJLGHVFQIFEON-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1	ZINC000289767864	221212554	/nfs/dbraw/zinc/21/25/54/221212554.db2.gz	ZORIYTSKJLBSDU-KURKYZTESA-N	0	3	312.413	2.625	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000617236457	399636806	/nfs/dbraw/zinc/63/68/06/399636806.db2.gz	YAZLKDDFLMWRQJ-HNNXBMFYSA-N	0	3	308.466	2.526	20	30		DFEDHN
CN(C)CCN(Cc1cncs1)Cc1ccc(C#N)cc1	ZINC000289975329	221354760	/nfs/dbraw/zinc/35/47/60/221354760.db2.gz	ZLQZFFSVKZPWTC-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21	ZINC000602997837	399655956	/nfs/dbraw/zinc/65/59/56/399655956.db2.gz	RVDPRFWLSQSKNK-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
COC(=O)c1cc(C2CCN(CCC(C)(C)C#N)CC2)no1	ZINC000603000817	399656304	/nfs/dbraw/zinc/65/63/04/399656304.db2.gz	QGKSBNKYBDGMPD-UHFFFAOYSA-N	0	3	305.378	2.580	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@@H](C2CCC2)CC1)C1CC1	ZINC000603000294	399656321	/nfs/dbraw/zinc/65/63/21/399656321.db2.gz	ZJQIFKJLULGWJK-QAPCUYQASA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1cccs1	ZINC000612494227	399663138	/nfs/dbraw/zinc/66/31/38/399663138.db2.gz	BJKSSSGVZWIQPM-HIFRSBDPSA-N	0	3	316.426	2.905	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1	ZINC000603065880	399669610	/nfs/dbraw/zinc/66/96/10/399669610.db2.gz	NDQPRSGJAQTYLU-INIZCTEOSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[C@@H]1C#N	ZINC000602981445	399647488	/nfs/dbraw/zinc/64/74/88/399647488.db2.gz	DINQMHJCMDYYDG-CGTJXYLNSA-N	0	3	311.429	2.773	20	30		DFEDHN
N#CCC1(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1	ZINC000603142510	399693934	/nfs/dbraw/zinc/69/39/34/399693934.db2.gz	DHIPWEFLCQOTAY-UONOGXRCSA-N	0	3	312.335	2.804	20	30		DFEDHN
Cc1cc(Cn2cc(CNC3CCCCC3)nn2)ccc1C#N	ZINC000603233789	399718100	/nfs/dbraw/zinc/71/81/00/399718100.db2.gz	AXQNQEKDUCKEOA-UHFFFAOYSA-N	0	3	309.417	2.929	20	30		DFEDHN
C#CCCN1CCN(CCn2ccc3cc(Cl)ccc32)CC1	ZINC000289444610	335063665	/nfs/dbraw/zinc/06/36/65/335063665.db2.gz	ZKYUJUCDVFOQKS-UHFFFAOYSA-N	0	3	315.848	2.936	20	30		DFEDHN
COCc1cc(C#N)ccc1NCCCN1CCCO[C@H](C)C1	ZINC000603357658	399753012	/nfs/dbraw/zinc/75/30/12/399753012.db2.gz	HUGDSGLEUWNCDL-OAHLLOKOSA-N	0	3	317.433	2.617	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCN1C1CCCC1	ZINC000624783966	399776515	/nfs/dbraw/zinc/77/65/15/399776515.db2.gz	CPBPGWNSNFESCT-IXDOHACOSA-N	0	3	303.450	2.896	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000613145091	399803583	/nfs/dbraw/zinc/80/35/83/399803583.db2.gz	UVWUHRDTWCKXPX-KGLIPLIRSA-N	0	3	316.405	2.571	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2coc(C3CCC3)n2)CC1	ZINC000192533278	542851258	/nfs/dbraw/zinc/85/12/58/542851258.db2.gz	LAPCFMGNYFQTNT-UHFFFAOYSA-N	0	3	303.406	2.712	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1	ZINC000289888263	335066822	/nfs/dbraw/zinc/06/68/22/335066822.db2.gz	SJTMNMKSRVJTEB-FVQBIDKESA-N	0	3	323.408	2.971	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](C)C(C)(C)n1cncn1	ZINC000289939793	335067167	/nfs/dbraw/zinc/06/71/67/335067167.db2.gz	WBPQQCSNKXTJCS-CQSZACIVSA-N	0	3	300.406	2.756	20	30		DFEDHN
C=C[C@H](CO)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21	ZINC000289961514	335067512	/nfs/dbraw/zinc/06/75/12/335067512.db2.gz	WYAAVRSNRJJBTG-DAXOMENPSA-N	0	3	318.417	2.834	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2C)nn1	ZINC000290101867	335069039	/nfs/dbraw/zinc/06/90/39/335069039.db2.gz	KHSDOHKKYFFVDM-CRAIPNDOSA-N	0	3	312.417	2.647	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2C)nn1	ZINC000290101875	335069126	/nfs/dbraw/zinc/06/91/26/335069126.db2.gz	KHSDOHKKYFFVDM-QAPCUYQASA-N	0	3	312.417	2.647	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](CO)C[C@@H]2C)cc(OC)c1O	ZINC000290156824	335069365	/nfs/dbraw/zinc/06/93/65/335069365.db2.gz	LMRFFZPOCHYIJP-KBPBESRZSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=CCOCCNCc1cc(Br)c(OC)s1	ZINC000309855404	543066142	/nfs/dbraw/zinc/06/61/42/543066142.db2.gz	KFDCFFMPYFMBBB-UHFFFAOYSA-N	0	3	306.225	2.811	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1=O	ZINC000337178691	543128419	/nfs/dbraw/zinc/12/84/19/543128419.db2.gz	KNIZPOWJCIHARU-KSSFIOAISA-N	0	3	324.428	2.618	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)Cc1ccc(CO)cc1	ZINC000344153945	543171183	/nfs/dbraw/zinc/17/11/83/543171183.db2.gz	VBQHBVPKLWATJP-UHFFFAOYSA-N	0	3	310.397	2.699	20	30		DFEDHN
Cc1cccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000390851690	543307580	/nfs/dbraw/zinc/30/75/80/543307580.db2.gz	DSSPQHNFOJTQFF-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000172909789	145323668	/nfs/dbraw/zinc/32/36/68/145323668.db2.gz	JVPABKCAVSSKJM-KXBFYZLASA-N	0	3	322.408	2.745	20	30		DFEDHN
N#Cc1ccc(CNCC2(N3CCSCC3)CCCCC2)o1	ZINC000174383182	145378275	/nfs/dbraw/zinc/37/82/75/145378275.db2.gz	PDWNBHRKGZZJDM-UHFFFAOYSA-N	0	3	319.474	2.993	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc3cc(O)ccc32)CC1	ZINC000630944318	399951198	/nfs/dbraw/zinc/95/11/98/399951198.db2.gz	WYSIEATXPWLPQG-UHFFFAOYSA-N	0	3	310.397	2.926	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C[C@H]2CCOC2)nn1	ZINC000631170405	399994887	/nfs/dbraw/zinc/99/48/87/399994887.db2.gz	BASMQJRISZOXDU-INMHGKMJSA-N	0	3	304.438	2.539	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1cn(C[C@H]2CCOC2)nn1	ZINC000631170400	399994985	/nfs/dbraw/zinc/99/49/85/399994985.db2.gz	BASMQJRISZOXDU-BFYDXBDKSA-N	0	3	304.438	2.539	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000245428309	146068482	/nfs/dbraw/zinc/06/84/82/146068482.db2.gz	MLVBKUMBMSWLBT-XFQXTVEOSA-N	0	3	322.408	2.991	20	30		DFEDHN
C[C@@H](CN1CCCCC1)Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443509445	543357578	/nfs/dbraw/zinc/35/75/78/543357578.db2.gz	LGGYNRNBTHEZJD-NSHDSACASA-N	0	3	312.339	3.258	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000245972965	146112457	/nfs/dbraw/zinc/11/24/57/146112457.db2.gz	FUQVKGGUZZWUBT-ZWKOTPCHSA-N	0	3	324.428	2.779	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1SC(F)F	ZINC000491673352	543406979	/nfs/dbraw/zinc/40/69/79/543406979.db2.gz	IKBNMBOBXXSJEF-UHFFFAOYSA-N	0	3	312.385	2.686	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2C[C@@H](F)CN2Cc2cccs2)o1	ZINC000354863733	147183341	/nfs/dbraw/zinc/18/33/41/147183341.db2.gz	JUPHHMQUQMZDFM-CHWSQXEVSA-N	0	3	319.405	2.915	20	30		DFEDHN
Cc1cccc(CN2CC[C@@H](Nc3nc(C)cc(C#N)n3)C2)c1	ZINC000601240637	543469682	/nfs/dbraw/zinc/46/96/82/543469682.db2.gz	VZHGLCUZYZTLST-MRXNPFEDSA-N	0	3	307.401	2.652	20	30		DFEDHN
N#Cc1csc(CNc2cccc(CN3CC[C@H](O)C3)c2)c1	ZINC000361065110	149021289	/nfs/dbraw/zinc/02/12/89/149021289.db2.gz	IEXVOLYGXNJPAJ-INIZCTEOSA-N	0	3	313.426	2.798	20	30		DFEDHN
CN(Cc1ccc(C#N)c(F)c1)[C@@H](CC(N)=O)c1ccccc1	ZINC000361470078	149124352	/nfs/dbraw/zinc/12/43/52/149124352.db2.gz	PYROWFMLBNPNNR-KRWDZBQOSA-N	0	3	311.360	2.746	20	30		DFEDHN
N#Cc1ccc(OCCNCc2cc(-c3cccnc3)n[nH]2)cc1	ZINC000371965512	150118538	/nfs/dbraw/zinc/11/85/38/150118538.db2.gz	HBIBLGMEQKGPQH-UHFFFAOYSA-N	0	3	319.368	2.512	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n[nH]1	ZINC000372002976	150123716	/nfs/dbraw/zinc/12/37/16/150123716.db2.gz	CEEMZMZHTPXJKU-AEFFLSMTSA-N	0	3	310.401	2.503	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1C#N	ZINC000374204120	150321914	/nfs/dbraw/zinc/32/19/14/150321914.db2.gz	IHONAMLOFKGTGP-UAGQMJEPSA-N	0	3	300.402	2.812	20	30		DFEDHN
COc1ccc([C@H](O)[C@H]2CCCN2Cc2ccc(C#N)o2)cc1	ZINC000374256237	150331002	/nfs/dbraw/zinc/33/10/02/150331002.db2.gz	NAWUHNYUMPVXBZ-MSOLQXFVSA-N	0	3	312.369	2.858	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000246339412	158087638	/nfs/dbraw/zinc/08/76/38/158087638.db2.gz	UJNIAJUVXJJERH-WMZOPIPTSA-N	0	3	309.413	2.534	20	30		DFEDHN
C[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccc(C#N)cc1F	ZINC000358578766	287039868	/nfs/dbraw/zinc/03/98/68/287039868.db2.gz	WOMOWORKJVHOQR-MLGOLLRUSA-N	0	3	307.438	2.785	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1conc1C1CC1)C(C)C	ZINC000290217914	335070305	/nfs/dbraw/zinc/07/03/05/335070305.db2.gz	WAAJFNJNLVEVNX-INIZCTEOSA-N	0	3	317.433	2.980	20	30		DFEDHN
C#Cc1ccc(CNC[C@@H](O)c2cc(OC)cc(OC)c2)cc1	ZINC000290524629	335072269	/nfs/dbraw/zinc/07/22/69/335072269.db2.gz	XTSADAVNIRDSQW-LJQANCHMSA-N	0	3	311.381	2.508	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccoc2C(F)(F)F)CC1	ZINC000290353726	335072798	/nfs/dbraw/zinc/07/27/98/335072798.db2.gz	YRWGDWMLYIHGHJ-UHFFFAOYSA-N	0	3	302.296	2.679	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)cc1	ZINC000290360802	335072837	/nfs/dbraw/zinc/07/28/37/335072837.db2.gz	QSBBVPVBSQLHEZ-ADLFWFRXSA-N	0	3	323.392	2.844	20	30		DFEDHN
Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000271641554	209085536	/nfs/dbraw/zinc/08/55/36/209085536.db2.gz	ZXKYZBSVFSSYDL-IAGOWNOFSA-N	0	3	310.401	2.769	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc(OC)c1O	ZINC000668554242	543825733	/nfs/dbraw/zinc/82/57/33/543825733.db2.gz	LRJRJNMCUGQNDV-CHWSQXEVSA-N	0	3	305.418	2.578	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1OC	ZINC000668595961	543833924	/nfs/dbraw/zinc/83/39/24/543833924.db2.gz	VXPYIHJLFGHWMF-QAPCUYQASA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(CO)cc1)C(C)C	ZINC000668682960	543845013	/nfs/dbraw/zinc/84/50/13/543845013.db2.gz	QCAHPWWXJDMMTB-SFHVURJKSA-N	0	3	316.445	2.607	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)cc(OC)c1O	ZINC000668738890	543858156	/nfs/dbraw/zinc/85/81/56/543858156.db2.gz	KQHNUEDKKOMSGF-ACJLOTCBSA-N	0	3	305.418	2.580	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1OC	ZINC000668741039	543858900	/nfs/dbraw/zinc/85/89/00/543858900.db2.gz	ZMXGJBRLCFFUBI-RDTXWAMCSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000296669402	226105641	/nfs/dbraw/zinc/10/56/41/226105641.db2.gz	ZHKRZMWPUFYEBG-OAHLLOKOSA-N	0	3	323.356	2.548	20	30		DFEDHN
O=C1C[C@@H]([C@@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)CN1	ZINC000671453267	544075021	/nfs/dbraw/zinc/07/50/21/544075021.db2.gz	KULHLCVCYXUQTR-HZPDHXFCSA-N	0	3	316.832	2.540	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000290791634	335075714	/nfs/dbraw/zinc/07/57/14/335075714.db2.gz	DQUUFSBRFSUGBY-IBGZPJMESA-N	0	3	324.399	2.769	20	30		DFEDHN
C=CCC[C@@H](NCC(C)(C)N1CCN(C)CC1)c1ccco1	ZINC000671740367	544104337	/nfs/dbraw/zinc/10/43/37/544104337.db2.gz	ORTMKTQDJYDGJN-MRXNPFEDSA-N	0	3	305.466	2.903	20	30		DFEDHN
COc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1C#N	ZINC000291018899	222076583	/nfs/dbraw/zinc/07/65/83/222076583.db2.gz	ABBULRDYWSLEFA-HXUWFJFHSA-N	0	3	322.408	2.703	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@](CO)(c2ccccc2)C1	ZINC000291293679	335080090	/nfs/dbraw/zinc/08/00/90/335080090.db2.gz	PVLTWJUAHYVHRD-NRFANRHFSA-N	0	3	321.420	2.835	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000675486878	544315947	/nfs/dbraw/zinc/31/59/47/544315947.db2.gz	PFKDMQGEFPUHIU-CVEARBPZSA-N	0	3	304.434	2.533	20	30		DFEDHN
C=C(C)CCN1CC[C@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000681405458	545638579	/nfs/dbraw/zinc/63/85/79/545638579.db2.gz	ZPICCDIFTIBQOP-HNNXBMFYSA-N	0	3	305.422	2.626	20	30		DFEDHN
CCC#C[C@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000678741330	544714295	/nfs/dbraw/zinc/71/42/95/544714295.db2.gz	BJFNEDRXIRVNNX-LSDHHAIUSA-N	0	3	314.429	2.797	20	30		DFEDHN
COC[C@@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1	ZINC000299722615	229361018	/nfs/dbraw/zinc/36/10/18/229361018.db2.gz	STHJRZIAPPCXSS-GOSISDBHSA-N	0	3	323.396	2.864	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000679576103	544880239	/nfs/dbraw/zinc/88/02/39/544880239.db2.gz	HQFCXRUEQADFCN-LBPRGKRZSA-N	0	3	306.797	2.774	20	30		DFEDHN
C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000302199946	230156367	/nfs/dbraw/zinc/15/63/67/230156367.db2.gz	GVSGIQDZMKIPBX-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
C=CCNC(=O)[C@H](C)Nc1cccc2c1CN(CCCC)C2	ZINC000066967389	425907721	/nfs/dbraw/zinc/90/77/21/425907721.db2.gz	OXYYOOURKUJTCN-AWEZNQCLSA-N	0	3	301.434	2.905	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CCC)Cc2ccccc2)CC1	ZINC000068705866	425919273	/nfs/dbraw/zinc/91/92/73/425919273.db2.gz	SKWXHGZMFUYIKS-IBGZPJMESA-N	0	3	312.457	2.859	20	30		DFEDHN
CCCN(CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1O	ZINC000068973630	425925522	/nfs/dbraw/zinc/92/55/22/425925522.db2.gz	CFWCNAJGBNPBPW-OAHLLOKOSA-N	0	3	317.433	2.612	20	30		DFEDHN
N#Cc1cncc(Nc2cccc(CN3CCSCC3)c2)n1	ZINC000420580678	270000569	/nfs/dbraw/zinc/00/05/69/270000569.db2.gz	FXPJUQICKYUYBA-UHFFFAOYSA-N	0	3	311.414	2.641	20	30		DFEDHN
COc1ccccc1OCCNCc1ccc(C#N)cc1F	ZINC000533311651	270002679	/nfs/dbraw/zinc/00/26/79/270002679.db2.gz	QRCCMQJCTKTLTB-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1	ZINC000124690404	425933295	/nfs/dbraw/zinc/93/32/95/425933295.db2.gz	BMOLPEXAFRQAHL-ZBFHGGJFSA-N	0	3	302.418	2.806	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000152504694	265559715	/nfs/dbraw/zinc/55/97/15/265559715.db2.gz	XNHKFQIPUPNPJW-UHFFFAOYSA-N	0	3	319.355	2.607	20	30		DFEDHN
CCC[C@@]1(COC)CCCN1Cc1cnc2ccc(C#N)cn12	ZINC000342852409	266074370	/nfs/dbraw/zinc/07/43/70/266074370.db2.gz	CLEYNICCHIGDEJ-SFHVURJKSA-N	0	3	312.417	2.987	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000352474764	266146179	/nfs/dbraw/zinc/14/61/79/266146179.db2.gz	JYYYFWUOJNDFGN-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCN1C[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1C	ZINC000337005902	266160021	/nfs/dbraw/zinc/16/00/21/266160021.db2.gz	AUCGEABCYDLROS-MNOVXSKESA-N	0	3	312.339	2.891	20	30		DFEDHN
CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1	ZINC000342074010	266163230	/nfs/dbraw/zinc/16/32/30/266163230.db2.gz	ZQCOVPLCGFEQIV-OAHLLOKOSA-N	0	3	303.381	2.578	20	30		DFEDHN
CCSCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280649041	266344061	/nfs/dbraw/zinc/34/40/61/266344061.db2.gz	ZZUJWXSYCOJMRR-BBRMVZONSA-N	0	3	315.442	2.888	20	30		DFEDHN
CCc1cnccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000350903511	266445811	/nfs/dbraw/zinc/44/58/11/266445811.db2.gz	YKBUNNCYXAALLS-GOSISDBHSA-N	0	3	318.380	2.514	20	30		DFEDHN
CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000487907803	266999187	/nfs/dbraw/zinc/99/91/87/266999187.db2.gz	IESKDCIPRLXQMA-KRWDZBQOSA-N	0	3	313.445	2.995	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448638319	267060914	/nfs/dbraw/zinc/06/09/14/267060914.db2.gz	LNZBCIKLGMZEOQ-SFHVURJKSA-N	0	3	324.428	2.710	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000401315192	267092849	/nfs/dbraw/zinc/09/28/49/267092849.db2.gz	YGUOXTHPKJRWPL-GDBMZVCRSA-N	0	3	307.401	2.813	20	30		DFEDHN
C[C@@]1(CO)CCC[C@@H]1NCc1ccc(Br)cc1C#N	ZINC000347218952	267117179	/nfs/dbraw/zinc/11/71/79/267117179.db2.gz	BZHZBWHJAMJKRZ-GJZGRUSLSA-N	0	3	323.234	2.961	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@@]12CCCO2	ZINC000444002594	267152351	/nfs/dbraw/zinc/15/23/51/267152351.db2.gz	KDYAEHZGAXKCDB-KSZLIROESA-N	0	3	300.402	2.683	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC(C)CC1	ZINC000351641954	267160303	/nfs/dbraw/zinc/16/03/03/267160303.db2.gz	RBDJEZVWHHYABW-CYBMUJFWSA-N	0	3	303.381	2.548	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000518365325	267202162	/nfs/dbraw/zinc/20/21/62/267202162.db2.gz	HXTGNUZGDBCYDK-CVEARBPZSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1Nc1nc(C(F)(F)F)ccc1C#N	ZINC000342180415	267227088	/nfs/dbraw/zinc/22/70/88/267227088.db2.gz	AWEARLMDGIBIMN-JOYOIKCWSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@H]1CN(C(=O)c2cscc2C#N)CCN(C2CCC2)C1	ZINC000344740908	267228007	/nfs/dbraw/zinc/22/80/07/267228007.db2.gz	MMZLQUUFVABVPL-GFCCVEGCSA-N	0	3	303.431	2.566	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cncc(C#N)n1	ZINC000401179431	267234092	/nfs/dbraw/zinc/23/40/92/267234092.db2.gz	AGHRWQJDNQNMMU-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000421363038	267243536	/nfs/dbraw/zinc/24/35/36/267243536.db2.gz	KLXMKHIOHDHJJI-GXZWQRSESA-N	0	3	308.422	2.867	20	30		DFEDHN
CCn1cc([C@@H](C)NCCC(=O)Nc2sccc2C#N)cn1	ZINC000451900946	267251823	/nfs/dbraw/zinc/25/18/23/267251823.db2.gz	ATPIQEZTRZTNQR-LLVKDONJSA-N	0	3	317.418	2.516	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1	ZINC000338171739	267277013	/nfs/dbraw/zinc/27/70/13/267277013.db2.gz	CALSWPRURMQEOT-RBUKOAKNSA-N	0	3	319.408	2.694	20	30		DFEDHN
CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)Cc1ccccc1	ZINC000421333680	267285689	/nfs/dbraw/zinc/28/56/89/267285689.db2.gz	OPCLUVCNPYQMGS-GOSISDBHSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000433357381	267285769	/nfs/dbraw/zinc/28/57/69/267285769.db2.gz	XGXCSIFYRORXPT-SFHVURJKSA-N	0	3	307.397	2.867	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1cccc(F)c1	ZINC000413029164	267286377	/nfs/dbraw/zinc/28/63/77/267286377.db2.gz	RDFQVIVHOVPMNK-HNNXBMFYSA-N	0	3	302.328	2.946	20	30		DFEDHN
CN(C)[C@H]1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455365694	267289332	/nfs/dbraw/zinc/28/93/32/267289332.db2.gz	KYRVOFKTKMVSHC-KRWDZBQOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)c1cc(C(F)(F)F)cnc1C#N	ZINC000413136286	267308933	/nfs/dbraw/zinc/30/89/33/267308933.db2.gz	HDCBWWUVWDQBNG-NSHDSACASA-N	0	3	312.339	2.750	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(C2CC2)C1	ZINC000437152735	267315769	/nfs/dbraw/zinc/31/57/69/267315769.db2.gz	FLIAECHYSJKTDV-HNNXBMFYSA-N	0	3	321.371	2.828	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000415883908	267318306	/nfs/dbraw/zinc/31/83/06/267318306.db2.gz	OTMCFMNGKDUWRA-UHFFFAOYSA-N	0	3	320.396	2.868	20	30		DFEDHN
CN1CCC(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000416337633	267331384	/nfs/dbraw/zinc/33/13/84/267331384.db2.gz	ASFHUZQTSVOHRJ-SFHVURJKSA-N	0	3	311.429	2.784	20	30		DFEDHN
CN1CC[C@@]2(CCN(c3cc(C(F)(F)F)cnc3C#N)C2)C1	ZINC000413300187	267339816	/nfs/dbraw/zinc/33/98/16/267339816.db2.gz	IZCAXDJHIIPUKK-CQSZACIVSA-N	0	3	310.323	2.504	20	30		DFEDHN
COc1ccccc1N1CC[C@H](NCc2ccc(C#N)s2)C1	ZINC000154409556	267519880	/nfs/dbraw/zinc/51/98/80/267519880.db2.gz	GHSRDPKQTHRARB-ZDUSSCGKSA-N	0	3	313.426	2.997	20	30		DFEDHN
COc1cc(CNCCCC(=O)OC(C)(C)C)ccc1C#N	ZINC000440821227	267591032	/nfs/dbraw/zinc/59/10/32/267591032.db2.gz	QJJPIMVLHXSONR-UHFFFAOYSA-N	0	3	304.390	2.778	20	30		DFEDHN
Cc1cc(NC2CCN(CCc3ccccc3)CC2)c(C#N)cn1	ZINC000425201567	267949921	/nfs/dbraw/zinc/94/99/21/267949921.db2.gz	APHJSHWJAXMYTH-UHFFFAOYSA-N	0	3	320.440	2.803	20	30		DFEDHN
Cc1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1CN(C)C	ZINC000458290615	268006717	/nfs/dbraw/zinc/00/67/17/268006717.db2.gz	RWADDHZMHRIIOW-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
Cc1cc(OC[C@@H](O)CN2CCc3ccccc3C2)ccc1C#N	ZINC000434638674	268013471	/nfs/dbraw/zinc/01/34/71/268013471.db2.gz	CIEZDVQSGXHLCI-IBGZPJMESA-N	0	3	322.408	2.665	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(C#N)cn1	ZINC000457620869	268037614	/nfs/dbraw/zinc/03/76/14/268037614.db2.gz	KLYQRCJRKFBQPF-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2ccc(C#N)s2)N(C)C)cc1	ZINC000486912593	268046257	/nfs/dbraw/zinc/04/62/57/268046257.db2.gz	QJAGMQVYAINIRM-HNNXBMFYSA-N	0	3	313.426	2.961	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CCN2CCc3ccccc3C2)cc1	ZINC000348870744	268067067	/nfs/dbraw/zinc/06/70/67/268067067.db2.gz	FHXPOJLBRVCWCI-UHFFFAOYSA-N	0	3	319.408	2.623	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2Cc3ccccc3C2)cc1	ZINC000348454859	268089692	/nfs/dbraw/zinc/08/96/92/268089692.db2.gz	ZUBMIOYGTIFBOD-GOSISDBHSA-N	0	3	315.376	2.524	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2F)cc1	ZINC000348011268	268090729	/nfs/dbraw/zinc/09/07/29/268090729.db2.gz	LVWREOSLSYOCOL-QGZVFWFLSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1	ZINC000348121574	268092518	/nfs/dbraw/zinc/09/25/18/268092518.db2.gz	MUODURPHGHYKPY-QRVBRYPASA-N	0	3	315.376	2.913	20	30		DFEDHN
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccccc2C#N)C1	ZINC000194852540	268118532	/nfs/dbraw/zinc/11/85/32/268118532.db2.gz	BPIIDBVLJOKAFG-SFHVURJKSA-N	0	3	300.402	2.969	20	30		DFEDHN
N#Cc1ccc(OC2CCN(C[C@@H]3CCCO3)CC2)c(F)c1	ZINC000285526744	268166576	/nfs/dbraw/zinc/16/65/76/268166576.db2.gz	PNLKNHXHQUJUJU-HNNXBMFYSA-N	0	3	304.365	2.720	20	30		DFEDHN
N#Cc1c2c(cnc1N1CCC[C@H]1CN1CCCCC1)CCC2	ZINC000425236488	268169448	/nfs/dbraw/zinc/16/94/48/268169448.db2.gz	FQDJBUXTTQIGQN-INIZCTEOSA-N	0	3	310.445	2.897	20	30		DFEDHN
N#Cc1cc(C(=O)N(CCN2CCCC2)c2ccccc2)ccn1	ZINC000526006045	268175815	/nfs/dbraw/zinc/17/58/15/268175815.db2.gz	HJHHQYPWVWCVDA-UHFFFAOYSA-N	0	3	320.396	2.696	20	30		DFEDHN
N#Cc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c(Cl)c1	ZINC000439449468	268217296	/nfs/dbraw/zinc/21/72/96/268217296.db2.gz	IGFJMLZUPNAPBY-ZBFHGGJFSA-N	0	3	317.820	2.702	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@H]1COc3ccccc3O1)CC2	ZINC000353349687	268223453	/nfs/dbraw/zinc/22/34/53/268223453.db2.gz	LLRQFBGWGIKVAR-DOTOQJQBSA-N	0	3	306.365	2.975	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)cc1F	ZINC000421323652	268233900	/nfs/dbraw/zinc/23/39/00/268233900.db2.gz	ITYYQZCYZZUZBO-OAHLLOKOSA-N	0	3	316.351	2.777	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@@H]3CCSC3)CC2)c(F)c1	ZINC000494937225	268234510	/nfs/dbraw/zinc/23/45/10/268234510.db2.gz	DRNGNUCAQSERMA-AWEZNQCLSA-N	0	3	305.422	2.572	20	30		DFEDHN
N#Cc1cccc(CC(=O)N2CCN(C3CCCCC3)CC2)c1	ZINC000532230336	268273102	/nfs/dbraw/zinc/27/31/02/268273102.db2.gz	AVZCLIXMABKTIR-UHFFFAOYSA-N	0	3	311.429	2.578	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1CN1CCC(c2ccn[nH]2)CC1	ZINC000459333355	268290313	/nfs/dbraw/zinc/29/03/13/268290313.db2.gz	ZZJUVJDQGMZPKK-UHFFFAOYSA-N	0	3	311.345	2.569	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN1CCCC[C@H]1c1ccco1)C2	ZINC000515384590	268316527	/nfs/dbraw/zinc/31/65/27/268316527.db2.gz	HWBJWSOVAUDMRL-ZFWWWQNUSA-N	0	3	311.389	2.617	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)c1	ZINC000301808524	268323365	/nfs/dbraw/zinc/32/33/65/268323365.db2.gz	AUJDUKZNULPFFL-MRXNPFEDSA-N	0	3	317.408	2.779	20	30		DFEDHN
C[C@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000308696441	268334986	/nfs/dbraw/zinc/33/49/86/268334986.db2.gz	MVHSEXDKIKZDRA-WMLDXEAASA-N	0	3	320.458	2.890	20	30		DFEDHN
COc1ccc([C@@H](O)CNC2CC(C#N)(c3ccccc3)C2)cc1	ZINC000125712054	425987209	/nfs/dbraw/zinc/98/72/09/425987209.db2.gz	DFTXTVFQDARVCP-SYYJFZTOSA-N	0	3	322.408	2.942	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCCC[C@@H](N2CCCC2)C1	ZINC000107526233	425994583	/nfs/dbraw/zinc/99/45/83/425994583.db2.gz	CXSCYLLBLDNZJY-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
COc1ccc(CNC[C@@H](c2ccccc2)N(C)C)cc1C#N	ZINC000124924829	425945022	/nfs/dbraw/zinc/94/50/22/425945022.db2.gz	BYAMWEFZPMMJQL-SFHVURJKSA-N	0	3	309.413	2.959	20	30		DFEDHN
CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1	ZINC000125265820	425961809	/nfs/dbraw/zinc/96/18/09/425961809.db2.gz	RNQLZUPBQLFTGL-UHFFFAOYSA-N	0	3	303.406	2.905	20	30		DFEDHN
CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccccn1	ZINC000125387551	425969661	/nfs/dbraw/zinc/96/96/61/425969661.db2.gz	IIPHXCMENRSPKY-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2cccc(C)c2)CC1	ZINC000106040402	425970126	/nfs/dbraw/zinc/97/01/26/425970126.db2.gz	IFOIAJSKJOWHLZ-MRXNPFEDSA-N	0	3	316.445	2.919	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)n(CC)c2C)CC1	ZINC000106037979	425970642	/nfs/dbraw/zinc/97/06/42/425970642.db2.gz	OFTVLNOBIVQACF-UHFFFAOYSA-N	0	3	303.450	2.895	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)CCc2ccccc2)CC1	ZINC000106274837	425971408	/nfs/dbraw/zinc/97/14/08/425971408.db2.gz	LOBXTJFEWJKFNL-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
N#Cc1cccc(OCCN(CCO)[C@H]2CCc3ccccc32)c1	ZINC000074311700	426045498	/nfs/dbraw/zinc/04/54/98/426045498.db2.gz	SADAADUWCZELRH-FQEVSTJZSA-N	0	3	322.408	2.919	20	30		DFEDHN
N#CCSCCCN1CCC[C@@H](c2nnc3ccccn32)C1	ZINC000074991212	426060671	/nfs/dbraw/zinc/06/06/71/426060671.db2.gz	MJBRHQDAYVQQGB-CQSZACIVSA-N	0	3	315.446	2.556	20	30		DFEDHN
CCn1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cn1	ZINC000112099267	426064594	/nfs/dbraw/zinc/06/45/94/426064594.db2.gz	HDHAMAGZHWLRPD-QGZVFWFLSA-N	0	3	309.417	2.533	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1	ZINC000126378752	426017498	/nfs/dbraw/zinc/01/74/98/426017498.db2.gz	CNCAOMXQNJERJH-GJZGRUSLSA-N	0	3	301.434	2.628	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)NCC(c1ccccc1)c1ccccc1	ZINC000126415104	426018603	/nfs/dbraw/zinc/01/86/03/426018603.db2.gz	LJQQHQRTJBLVJS-MRXNPFEDSA-N	0	3	306.409	2.546	20	30		DFEDHN
C[C@H](c1cccnc1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000127826047	426089174	/nfs/dbraw/zinc/08/91/74/426089174.db2.gz	ZLCYNDCPQKCXPN-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C[C@H]1CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000128145755	426103045	/nfs/dbraw/zinc/10/30/45/426103045.db2.gz	CTWYYLGVLSQMFT-XJKSGUPXSA-N	0	3	306.431	2.500	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)cc1	ZINC000113364729	426113296	/nfs/dbraw/zinc/11/32/96/426113296.db2.gz	UYZKJTMKGNCSCI-MRXNPFEDSA-N	0	3	300.406	2.944	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000128485201	426119125	/nfs/dbraw/zinc/11/91/25/426119125.db2.gz	DEOIUTKMOYEVHD-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](COc1ccccc1F)C(C)(C)C	ZINC000112368037	426075743	/nfs/dbraw/zinc/07/57/43/426075743.db2.gz	JPSXGJFUHKHTHW-CZUORRHYSA-N	0	3	322.424	2.900	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(COCC)c2)CC1	ZINC000171639817	426200472	/nfs/dbraw/zinc/20/04/72/426200472.db2.gz	SFQKSGCLTMSSMU-UHFFFAOYSA-N	0	3	317.433	2.995	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1	ZINC000114641907	426139792	/nfs/dbraw/zinc/13/97/92/426139792.db2.gz	OSRPAZUOQXRVCP-LJQANCHMSA-N	0	3	319.408	2.953	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000170648490	426142313	/nfs/dbraw/zinc/14/23/13/426142313.db2.gz	LFBDCSQYXOXEDN-INIZCTEOSA-N	0	3	315.417	2.905	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000115367658	426161995	/nfs/dbraw/zinc/16/19/95/426161995.db2.gz	VZAAVKFPVQDBIY-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
CC[C@@H]1c2ccsc2CCN1CCC(=O)N(C)CCC#N	ZINC000131133524	426163417	/nfs/dbraw/zinc/16/34/17/426163417.db2.gz	OYGHEMCRSUQWGH-CQSZACIVSA-N	0	3	305.447	2.819	20	30		DFEDHN
Cc1nc2c(s1)[C@H](N(C)CCC(=O)N(C)CCC#N)CCC2	ZINC000131870582	426167052	/nfs/dbraw/zinc/16/70/52/426167052.db2.gz	KAFRJFJBNVQAPK-CQSZACIVSA-N	0	3	320.462	2.523	20	30		DFEDHN
C=CCCN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1	ZINC000132719784	426171390	/nfs/dbraw/zinc/17/13/90/426171390.db2.gz	CPSKJHDENQPLME-UHFFFAOYSA-N	0	3	316.445	2.738	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000171201244	426176669	/nfs/dbraw/zinc/17/66/69/426176669.db2.gz	MRIWSDJFWMNXAV-INIZCTEOSA-N	0	3	321.490	2.816	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000133916853	426185261	/nfs/dbraw/zinc/18/52/61/426185261.db2.gz	IFTDGUMZYXPTGZ-KBAYOESNSA-N	0	3	313.445	2.920	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)cc2OC)CC1	ZINC000171717259	426206328	/nfs/dbraw/zinc/20/63/28/426206328.db2.gz	WOIMUSLYJXSUQV-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccncc1)C(C)C	ZINC000079440384	426192682	/nfs/dbraw/zinc/19/26/82/426192682.db2.gz	GEBBTWYEJYBCQQ-INIZCTEOSA-N	0	3	302.422	2.902	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2c(F)cccc2F)CC1	ZINC000171718507	426206572	/nfs/dbraw/zinc/20/65/72/426206572.db2.gz	KGDYGCZCMFEYFN-VOTSOKGWSA-N	0	3	306.356	2.745	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)CN1Cc1ccccc1	ZINC000134874186	426197652	/nfs/dbraw/zinc/19/76/52/426197652.db2.gz	IFXZUJDJZDZQIK-HNAYVOBHSA-N	0	3	319.408	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2cccc(F)c2)CC1	ZINC000171717248	426206632	/nfs/dbraw/zinc/20/66/32/426206632.db2.gz	XFGZDEJVYDYEHS-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc(OCC)cc2)CC1	ZINC000171714837	426206637	/nfs/dbraw/zinc/20/66/37/426206637.db2.gz	GVZWGXHWAIDMLG-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)s1	ZINC000136204185	426237109	/nfs/dbraw/zinc/23/71/09/426237109.db2.gz	VJVQJFISYASWOM-CHWSQXEVSA-N	0	3	322.478	2.591	20	30		DFEDHN
N#Cc1cccc(CN2CCC(CN3CCCCC3=O)CC2)c1	ZINC000118851580	426248190	/nfs/dbraw/zinc/24/81/90/426248190.db2.gz	NFJXDONERGXHMM-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000137109151	426250905	/nfs/dbraw/zinc/25/09/05/426250905.db2.gz	BSSUXFQEUJJNSO-LBPRGKRZSA-N	0	3	309.360	2.543	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCc2cc(C#N)ccc2F)c1	ZINC000174547805	426259649	/nfs/dbraw/zinc/25/96/49/426259649.db2.gz	XBXFUYKHOBTTBK-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccc3ccccc3c2)CC1	ZINC000171726115	426207957	/nfs/dbraw/zinc/20/79/57/426207957.db2.gz	AKBWYMDMDILVSR-UHFFFAOYSA-N	0	3	324.424	2.985	20	30		DFEDHN
CCC[C@@H](C)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135330491	426214824	/nfs/dbraw/zinc/21/48/24/426214824.db2.gz	RFACIVIOACOZHX-CVEARBPZSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC(C)CO[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1	ZINC000119595199	426299589	/nfs/dbraw/zinc/29/95/89/426299589.db2.gz	VCRYVUAMUBFTDE-INIZCTEOSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=CCOc1cccc(CN2CCCN(c3cccnn3)CC2)c1	ZINC000120124601	426307241	/nfs/dbraw/zinc/30/72/41/426307241.db2.gz	XMSZNPDTGUXBLE-UHFFFAOYSA-N	0	3	324.428	2.754	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H]1CCSC1	ZINC000121191673	426323385	/nfs/dbraw/zinc/32/33/85/426323385.db2.gz	CEWDDSLVPGXPBL-HZPDHXFCSA-N	0	3	307.459	2.592	20	30		DFEDHN
CN(C)CCN(C)c1c(C#N)cnc2c(F)ccc(Cl)c21	ZINC000175166317	426284911	/nfs/dbraw/zinc/28/49/11/426284911.db2.gz	BVMYDJJDVZHOTA-UHFFFAOYSA-N	0	3	306.772	2.897	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1	ZINC000092217830	426347498	/nfs/dbraw/zinc/34/74/98/426347498.db2.gz	BRLFKRNRPWKEFP-GOSISDBHSA-N	0	3	316.445	2.548	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1	ZINC000093505860	426356126	/nfs/dbraw/zinc/35/61/26/426356126.db2.gz	LGFVEAHVCFSHID-QGPMSJSTSA-N	0	3	300.402	2.978	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@@]3(CCOC3)C2)c1	ZINC000093820210	426357988	/nfs/dbraw/zinc/35/79/88/426357988.db2.gz	LMPTVPAFOBMAFL-GOSISDBHSA-N	0	3	300.402	2.982	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ncc(CC)s2)CC1	ZINC000176497996	426388064	/nfs/dbraw/zinc/38/80/64/426388064.db2.gz	PXCMEUPILLRUTP-UHFFFAOYSA-N	0	3	322.478	2.545	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C(C)=C/c2ccc(F)cc2)CC1	ZINC000176523133	426390833	/nfs/dbraw/zinc/39/08/33/426390833.db2.gz	QCKBPLBSSSNYTD-BUHFOSPRSA-N	0	3	302.393	2.996	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176560605	426392763	/nfs/dbraw/zinc/39/27/63/426392763.db2.gz	QNFXSBDJUDZZIK-UHFFFAOYSA-N	0	3	306.385	2.749	20	30		DFEDHN
Cc1ccc(OCCNCc2cnc3ccc(C#N)cn23)cc1	ZINC000123166732	426417439	/nfs/dbraw/zinc/41/74/39/426417439.db2.gz	PEJPAMXUGGCVGC-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
C[C@H]1CN(C(C)(C)CNCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000176943889	426427075	/nfs/dbraw/zinc/42/70/75/426427075.db2.gz	LGMIJBFSWXJPSU-STQMWFEESA-N	0	3	307.463	2.597	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)CSc1ccc(C#N)cc1	ZINC000177032862	426436632	/nfs/dbraw/zinc/43/66/32/426436632.db2.gz	ZVOXVSNDEWCPBS-OAHLLOKOSA-N	0	3	317.458	2.593	20	30		DFEDHN
N#CC(C(=O)NC1CCCCC1)c1nccn1Cc1ccccc1	ZINC000155464935	426472146	/nfs/dbraw/zinc/47/21/46/426472146.db2.gz	SXWZNLJXZCJIER-KRWDZBQOSA-N	0	3	322.412	2.987	20	30		DFEDHN
CC[C@@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000177379396	426474722	/nfs/dbraw/zinc/47/47/22/426474722.db2.gz	RRGQNMLUWOLRPA-HKUYNNGSSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000098024867	426476142	/nfs/dbraw/zinc/47/61/42/426476142.db2.gz	DSCLLSQDUOONSN-LSDHHAIUSA-N	0	3	314.433	2.995	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000098093100	426478259	/nfs/dbraw/zinc/47/82/59/426478259.db2.gz	WBGBETQWRSUNAY-PKOBYXMFSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000098093101	426478407	/nfs/dbraw/zinc/47/84/07/426478407.db2.gz	WBGBETQWRSUNAY-HKUYNNGSSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCNC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000101604830	426485018	/nfs/dbraw/zinc/48/50/18/426485018.db2.gz	ZYLCTPLASCMOQF-UHFFFAOYSA-N	0	3	301.434	2.523	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCOCC2	ZINC000186324610	426506931	/nfs/dbraw/zinc/50/69/31/426506931.db2.gz	DGUNWZFUMJVGPU-IAGOWNOFSA-N	0	3	318.392	2.761	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000186363798	426512433	/nfs/dbraw/zinc/51/24/33/426512433.db2.gz	KWUQEFIYMMIZGJ-IAGOWNOFSA-N	0	3	315.417	2.680	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1	ZINC000288278847	426517795	/nfs/dbraw/zinc/51/77/95/426517795.db2.gz	QDOPJLFHUYIVJC-HNAYVOBHSA-N	0	3	319.408	2.951	20	30		DFEDHN
N#Cc1cccnc1NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000264243144	426523988	/nfs/dbraw/zinc/52/39/88/426523988.db2.gz	JTURHDODWJIABD-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCC[C@H]1O	ZINC000272514514	426545041	/nfs/dbraw/zinc/54/50/41/426545041.db2.gz	XKIDRLIDPRCJIA-FUHWJXTLSA-N	0	3	324.428	2.552	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2cccnc2)CC1	ZINC000264431358	426552357	/nfs/dbraw/zinc/55/23/57/426552357.db2.gz	ZVAQOYOZXDJFAV-HNNXBMFYSA-N	0	3	316.449	2.825	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CNC[C@H](O)C3CC3)c2)c1	ZINC000265110553	426582763	/nfs/dbraw/zinc/58/27/63/426582763.db2.gz	WSYJNUQDFZFYMX-FQEVSTJZSA-N	0	3	322.408	2.998	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCCC(=O)N2CCCCC2)cc1	ZINC000178199808	426584737	/nfs/dbraw/zinc/58/47/37/426584737.db2.gz	RCOTZILLSOTIQN-MRXNPFEDSA-N	0	3	314.429	2.752	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280546058	426596745	/nfs/dbraw/zinc/59/67/45/426596745.db2.gz	ZQRNVCLLRXAUEY-OAHLLOKOSA-N	0	3	313.426	2.595	20	30		DFEDHN
C#CCOc1ccc(F)cc1NC(=O)[C@H](C)NC(C)(C)CC	ZINC000273165248	426604357	/nfs/dbraw/zinc/60/43/57/426604357.db2.gz	CVQMMZVTHHCVGT-LBPRGKRZSA-N	0	3	306.381	2.943	20	30		DFEDHN
COc1ccc(CN(C)[C@@H](CC(N)=O)c2ccccc2)cc1C#N	ZINC000280603455	426613064	/nfs/dbraw/zinc/61/30/64/426613064.db2.gz	VIXVQTZWRZLAFJ-KRWDZBQOSA-N	0	3	323.396	2.615	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000264472844	426559994	/nfs/dbraw/zinc/55/99/94/426559994.db2.gz	NZPMABRDTMCUSO-XQQFMLRXSA-N	0	3	317.393	2.640	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CCN(CCOc2cccc(C#N)c2)C1	ZINC000178519940	426644850	/nfs/dbraw/zinc/64/48/50/426644850.db2.gz	JBOKWJVROIVZFF-OAHLLOKOSA-N	0	3	316.401	2.601	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#N)c1C	ZINC000178550113	426652520	/nfs/dbraw/zinc/65/25/20/426652520.db2.gz	ZBJAWKZZYRDWOY-CVEARBPZSA-N	0	3	312.417	2.957	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCc1ccc(COCC)cc1	ZINC000265581456	426656484	/nfs/dbraw/zinc/65/64/84/426656484.db2.gz	GJFVLFWTGBWUFN-UHFFFAOYSA-N	0	3	304.434	2.737	20	30		DFEDHN
COc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1C#N	ZINC000289807412	426674485	/nfs/dbraw/zinc/67/44/85/426674485.db2.gz	LJZHHAOHLRPYCD-UYAOXDASSA-N	0	3	322.408	2.823	20	30		DFEDHN
C=C(Cl)CNC(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000265687570	426676157	/nfs/dbraw/zinc/67/61/57/426676157.db2.gz	DMOMDMRLDNGFPL-UHFFFAOYSA-N	0	3	311.813	2.809	20	30		DFEDHN
Cc1nnc(CCN[C@H](C)c2ccc(OCC#N)cc2)s1	ZINC000289969177	426677897	/nfs/dbraw/zinc/67/78/97/426677897.db2.gz	XIZKOYBAWJXXII-LLVKDONJSA-N	0	3	302.403	2.642	20	30		DFEDHN
C=CCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1	ZINC000265760821	426685314	/nfs/dbraw/zinc/68/53/14/426685314.db2.gz	LRCHICRRRMLVLT-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1	ZINC000273242609	426623885	/nfs/dbraw/zinc/62/38/85/426623885.db2.gz	FXDLAGVQILYBLB-HZPDHXFCSA-N	0	3	321.424	2.956	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H](CN2CCCC2)c2ccccc2)n1	ZINC000280654067	426627323	/nfs/dbraw/zinc/62/73/23/426627323.db2.gz	AMKPACHHGGQCGI-QGZVFWFLSA-N	0	3	307.401	2.906	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc(Br)cc2)C1=O	ZINC000281226482	426707644	/nfs/dbraw/zinc/70/76/44/426707644.db2.gz	OTVNVDQQXNLELS-FZMZJTMJSA-N	0	3	323.234	2.887	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@H](O)c2ccsc2)cc1	ZINC000265802985	426692075	/nfs/dbraw/zinc/69/20/75/426692075.db2.gz	TYCRLJABRKAPFG-KRWDZBQOSA-N	0	3	301.411	2.973	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)c1	ZINC000188106782	426721871	/nfs/dbraw/zinc/72/18/71/426721871.db2.gz	XYRMWFYNFITPFJ-PBHICJAKSA-N	0	3	303.402	2.882	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@]12CCCO2	ZINC000274182561	426721888	/nfs/dbraw/zinc/72/18/88/426721888.db2.gz	IYZKBPQFEJJPOC-VIBAHUMZSA-N	0	3	300.402	2.935	20	30		DFEDHN
CN1CCN(CCNc2cc(Cl)ccc2C#N)CC1(C)C	ZINC000281607852	426729312	/nfs/dbraw/zinc/72/93/12/426729312.db2.gz	IWBHMISAJDEMFD-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000245565911	426753206	/nfs/dbraw/zinc/75/32/06/426753206.db2.gz	PTIAUGYXPXIWBE-YOEHRIQHSA-N	0	3	309.413	2.550	20	30		DFEDHN
CN(C)[C@]1(CNc2snc(Cl)c2C#N)CCSC1	ZINC000267068416	426820102	/nfs/dbraw/zinc/82/01/02/426820102.db2.gz	IESUMZJFCXTVMJ-NSHDSACASA-N	0	3	302.856	2.517	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cnc(C#N)cn1	ZINC000274726482	426826339	/nfs/dbraw/zinc/82/63/39/426826339.db2.gz	YYZJGDXCWNPOFU-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
CC[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CCOC	ZINC000246389601	426828212	/nfs/dbraw/zinc/82/82/12/426828212.db2.gz	NZHSQLYUUXYBRO-QAPCUYQASA-N	0	3	301.434	2.662	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H]2Cn2ccnc2C)cc1	ZINC000180128488	426838685	/nfs/dbraw/zinc/83/86/85/426838685.db2.gz	CHEMQVKDZNZLKZ-SFHVURJKSA-N	0	3	309.413	2.868	20	30		DFEDHN
C=C(C)COCCNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180297010	426849406	/nfs/dbraw/zinc/84/94/06/426849406.db2.gz	DISPIIBSZSYVJH-UHFFFAOYSA-N	0	3	310.401	2.641	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@H](C)C1	ZINC000246627520	426851889	/nfs/dbraw/zinc/85/18/89/426851889.db2.gz	HOIWHNOPNWGVCH-NUJGCVRESA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1	ZINC000188887104	426795731	/nfs/dbraw/zinc/79/57/31/426795731.db2.gz	GVJKXPLEUITWSQ-MRXNPFEDSA-N	0	3	318.461	2.528	20	30		DFEDHN
Cc1nc(NCc2ccccc2OCCN(C)C)ccc1C#N	ZINC000291565372	426916625	/nfs/dbraw/zinc/91/66/25/426916625.db2.gz	DAKWNNUSYOEVOA-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
CN1CC=C(CNc2cccc(Br)c2C#N)CC1	ZINC000290877569	426860158	/nfs/dbraw/zinc/86/01/58/426860158.db2.gz	BOVHBSHRRSNMDK-UHFFFAOYSA-N	0	3	306.207	2.995	20	30		DFEDHN
COc1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1C#N	ZINC000282276974	426868465	/nfs/dbraw/zinc/86/84/65/426868465.db2.gz	KUAKXAGNWNPELU-HZPDHXFCSA-N	0	3	302.418	2.796	20	30		DFEDHN
C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCCCCC1	ZINC000180585409	426870512	/nfs/dbraw/zinc/87/05/12/426870512.db2.gz	MPLKCZXZQXTPQL-HNNXBMFYSA-N	0	3	313.449	2.829	20	30		DFEDHN
Cc1nccn1C[C@H]1CCCN1Cc1ccc(OCC#N)cc1	ZINC000267454817	426878862	/nfs/dbraw/zinc/87/88/62/426878862.db2.gz	RQUUUYCMHRKHGK-QGZVFWFLSA-N	0	3	310.401	2.759	20	30		DFEDHN
C[C@H](Cn1cccn1)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000267374136	426880081	/nfs/dbraw/zinc/88/00/81/426880081.db2.gz	KWWKCGZRIINPJH-CYBMUJFWSA-N	0	3	307.319	2.932	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1C#N	ZINC000267534812	426883326	/nfs/dbraw/zinc/88/33/26/426883326.db2.gz	MRBNRDWCGKEOQP-HIFRSBDPSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN(C2CC2)C1	ZINC000295288947	426893344	/nfs/dbraw/zinc/89/33/44/426893344.db2.gz	IILAPRFTCWZNPL-GFCCVEGCSA-N	0	3	317.820	2.768	20	30		DFEDHN
CCOC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C	ZINC000189795543	426952462	/nfs/dbraw/zinc/95/24/62/426952462.db2.gz	AFCSODINBIAYDI-BBRMVZONSA-N	0	3	303.406	2.536	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccco2)cc1	ZINC000247577763	426952626	/nfs/dbraw/zinc/95/26/26/426952626.db2.gz	XYEXYEHDPAYUHQ-NVXWUHKLSA-N	0	3	312.369	2.728	20	30		DFEDHN
CCOC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C	ZINC000189795216	426952800	/nfs/dbraw/zinc/95/28/00/426952800.db2.gz	DBJJDUOXFFSCRZ-XJKSGUPXSA-N	0	3	303.406	2.536	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN(C2CC2)C1	ZINC000295446854	426962210	/nfs/dbraw/zinc/96/22/10/426962210.db2.gz	APVXEUZLFWNVET-RZIFZGNASA-N	0	3	309.413	2.514	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C1CC1	ZINC000291806710	426994287	/nfs/dbraw/zinc/99/42/87/426994287.db2.gz	BEORRIOBLIRONG-DLBZAZTESA-N	0	3	307.397	2.888	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)[C@@H]1OCCc2sccc21	ZINC000291731840	426967778	/nfs/dbraw/zinc/96/77/78/426967778.db2.gz	NXTVLTKVHCBDEW-ZBEGNZNMSA-N	0	3	301.415	2.750	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cccc(OC)c1OC(F)F	ZINC000321500072	426969263	/nfs/dbraw/zinc/96/92/63/426969263.db2.gz	USEPDYVBJKLOMN-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=CCCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000276036971	426971127	/nfs/dbraw/zinc/97/11/27/426971127.db2.gz	FJTPLCGRDOMCAK-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000323958605	426974802	/nfs/dbraw/zinc/97/48/02/426974802.db2.gz	ZDYAHSIVRPWASS-APWZRJJASA-N	0	3	313.445	2.907	20	30		DFEDHN
C=CCCN(C)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000276065815	426979243	/nfs/dbraw/zinc/97/92/43/426979243.db2.gz	CRLKFQFMCDDARN-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CC[C@@H](N2CCCCC2)C1	ZINC000337813742	426980536	/nfs/dbraw/zinc/98/05/36/426980536.db2.gz	MSDIWTJQTNCBNO-MRXNPFEDSA-N	0	3	315.465	2.796	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)c2cccc(C#N)c2)CC1	ZINC000248097773	426981449	/nfs/dbraw/zinc/98/14/49/426981449.db2.gz	DGMUJDVKFPIXRN-UHFFFAOYSA-N	0	3	323.396	2.888	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)C1CCCC1	ZINC000328728056	426989923	/nfs/dbraw/zinc/98/99/23/426989923.db2.gz	GQAHLTDMYMTIEG-BMFZPTHFSA-N	0	3	321.465	2.607	20	30		DFEDHN
CN1CC[C@]2(CCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1	ZINC000291632826	426934118	/nfs/dbraw/zinc/93/41/18/426934118.db2.gz	BQQDXDIVQPGXOU-AWEZNQCLSA-N	0	3	310.323	2.504	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000189761003	426943207	/nfs/dbraw/zinc/94/32/07/426943207.db2.gz	TUAFWHSOKFKXRI-UHFFFAOYSA-N	0	3	315.392	2.788	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC12CCC2	ZINC000291828007	427000302	/nfs/dbraw/zinc/00/03/02/427000302.db2.gz	CVVFMXUVPDDWSJ-AEFFLSMTSA-N	0	3	314.429	2.808	20	30		DFEDHN
CC(C)(C)[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1	ZINC000328914583	427013038	/nfs/dbraw/zinc/01/30/38/427013038.db2.gz	JAEBFYJBJGMJQK-HOCLYGCPSA-N	0	3	323.481	2.711	20	30		DFEDHN
COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21	ZINC000328936387	427014639	/nfs/dbraw/zinc/01/46/39/427014639.db2.gz	QRSCZMVCPIOGGL-GDBMZVCRSA-N	0	3	318.417	2.620	20	30		DFEDHN
COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCOc2ccccc21	ZINC000328936388	427015464	/nfs/dbraw/zinc/01/54/64/427015464.db2.gz	QRSCZMVCPIOGGL-ZBFHGGJFSA-N	0	3	318.417	2.620	20	30		DFEDHN
O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCN1C1CCCC1	ZINC000328971853	427019700	/nfs/dbraw/zinc/01/97/00/427019700.db2.gz	VFMPCTWAWJNMOL-WBMJQRKESA-N	0	3	302.422	2.631	20	30		DFEDHN
O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCN1C1CCCC1	ZINC000328971850	427019944	/nfs/dbraw/zinc/01/99/44/427019944.db2.gz	VFMPCTWAWJNMOL-MLGOLLRUSA-N	0	3	302.422	2.631	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000268509987	427039821	/nfs/dbraw/zinc/03/98/21/427039821.db2.gz	BVQGOVKSCRILMW-INIZCTEOSA-N	0	3	318.417	2.520	20	30		DFEDHN
CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000329132903	427049816	/nfs/dbraw/zinc/04/98/16/427049816.db2.gz	AXKUEWGIWYRFBR-ZDUSSCGKSA-N	0	3	304.438	2.865	20	30		DFEDHN
Cc1nc(NCC2CCN(c3ccncc3)CC2)ccc1C#N	ZINC000292029639	427064861	/nfs/dbraw/zinc/06/48/61/427064861.db2.gz	UGBFOEYZBKARMP-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CC1(C)C)C2	ZINC000329225124	427067740	/nfs/dbraw/zinc/06/77/40/427067740.db2.gz	CWICXVJJWDLJJA-RYUDHWBXSA-N	0	3	304.438	2.798	20	30		DFEDHN
CN(C(=O)NCCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268611185	427068471	/nfs/dbraw/zinc/06/84/71/427068471.db2.gz	WIBSMBHDPJIRFF-QGZVFWFLSA-N	0	3	314.433	2.596	20	30		DFEDHN
CO[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292052626	427072105	/nfs/dbraw/zinc/07/21/05/427072105.db2.gz	BIHNCQGSRSJZLE-QZTJIDSGSA-N	0	3	323.396	2.794	20	30		DFEDHN
CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21	ZINC000268631547	427074819	/nfs/dbraw/zinc/07/48/19/427074819.db2.gz	BUIAUCSSRMZBNG-UXHICEINSA-N	0	3	322.408	2.837	20	30		DFEDHN
Cc1nsc(NC2CCN(CCOC(C)C)CC2)c1C#N	ZINC000283788865	427075381	/nfs/dbraw/zinc/07/53/81/427075381.db2.gz	RPKJNYVAPTUOSV-UHFFFAOYSA-N	0	3	308.451	2.625	20	30		DFEDHN
O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCCOCC1	ZINC000329272410	427078485	/nfs/dbraw/zinc/07/84/85/427078485.db2.gz	JQNDXHMCRHEYAO-OAHLLOKOSA-N	0	3	310.438	2.547	20	30		DFEDHN
Cc1csc([C@H](C)NC(=O)N[C@H](C)C2=CCN(C)CC2)n1	ZINC000329286593	427081262	/nfs/dbraw/zinc/08/12/62/427081262.db2.gz	GYKJNXUQXRXVOF-NEPJUHHUSA-N	0	3	308.451	2.667	20	30		DFEDHN
CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268663359	427086034	/nfs/dbraw/zinc/08/60/34/427086034.db2.gz	YYYOROFRZCSTTK-QGZVFWFLSA-N	0	3	324.380	2.842	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)CCNC(=O)C1CCCCC1	ZINC000329305645	427087570	/nfs/dbraw/zinc/08/75/70/427087570.db2.gz	OXVGMRYYVBRYHU-HNNXBMFYSA-N	0	3	323.481	2.714	20	30		DFEDHN
C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1CO	ZINC000190367956	427089121	/nfs/dbraw/zinc/08/91/21/427089121.db2.gz	DOVVHAFTTDGCSL-SWLSCSKDSA-N	0	3	313.319	2.639	20	30		DFEDHN
CC(C)Oc1cccnc1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329319142	427089656	/nfs/dbraw/zinc/08/96/56/427089656.db2.gz	ILVWTFBFVHDTQY-ZDUSSCGKSA-N	0	3	303.406	2.824	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)s1	ZINC000190422788	427103356	/nfs/dbraw/zinc/10/33/56/427103356.db2.gz	MBHVYHAMVXXPPP-GJZGRUSLSA-N	0	3	316.430	2.846	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1nnc(C2CC2)n1C)N1CCCCC1	ZINC000329380777	427104983	/nfs/dbraw/zinc/10/49/83/427104983.db2.gz	PZFASNUZUFNRER-OAHLLOKOSA-N	0	3	319.453	2.660	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CCCC3CCOCC3)C2)nc1	ZINC000292168837	427114342	/nfs/dbraw/zinc/11/43/42/427114342.db2.gz	LQQYWKILKYEDTG-QGZVFWFLSA-N	0	3	315.417	2.613	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000249548314	427126461	/nfs/dbraw/zinc/12/64/61/427126461.db2.gz	GYVMBFVPTXXWQI-STQMWFEESA-N	0	3	303.381	2.548	20	30		DFEDHN
COCc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292206357	427131320	/nfs/dbraw/zinc/13/13/20/427131320.db2.gz	OBERFAXMRQEPDP-SFHVURJKSA-N	0	3	323.396	2.753	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)C1=CCN(C)CC1	ZINC000329529811	427133147	/nfs/dbraw/zinc/13/31/47/427133147.db2.gz	VJVUJFSETDEOKT-XJKSGUPXSA-N	0	3	315.417	2.664	20	30		DFEDHN
CC(=O)NCC1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000269012095	427144909	/nfs/dbraw/zinc/14/49/09/427144909.db2.gz	VRLSYXQLDVUJRF-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
C#CCCCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190596445	427145411	/nfs/dbraw/zinc/14/54/11/427145411.db2.gz	ODWJFQQKFOIMRL-SFHVURJKSA-N	0	3	313.445	2.556	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1F	ZINC000338200834	427189652	/nfs/dbraw/zinc/18/96/52/427189652.db2.gz	OSTIYICFSUOMIL-IUODEOHRSA-N	0	3	322.343	2.652	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000252802752	427196175	/nfs/dbraw/zinc/19/61/75/427196175.db2.gz	USQIWYQIWCCZTE-FUHWJXTLSA-N	0	3	309.413	2.978	20	30		DFEDHN
Cc1nc(N2CCC[C@H]3CN(C)CC[C@H]32)c(Cl)cc1C#N	ZINC000292816751	427200565	/nfs/dbraw/zinc/20/05/65/427200565.db2.gz	ZJUIRHAYVDDDLW-SWLSCSKDSA-N	0	3	304.825	2.836	20	30		DFEDHN
CC(C)O[C@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000296502574	427203655	/nfs/dbraw/zinc/20/36/55/427203655.db2.gz	ZFTFSSOPOISNDF-HOTGVXAUSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1	ZINC000183128937	427204421	/nfs/dbraw/zinc/20/44/21/427204421.db2.gz	LDVZVSBPQOQMLE-IJEWVQPXSA-N	0	3	322.474	2.808	20	30		DFEDHN
C[C@H](C(=O)NCC#Cc1cccc(F)c1)N1CCCCCC1	ZINC000338242846	427207853	/nfs/dbraw/zinc/20/78/53/427207853.db2.gz	JNQMTMPUDOERME-OAHLLOKOSA-N	0	3	302.393	2.558	20	30		DFEDHN
CC1(C)CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000293141586	427222728	/nfs/dbraw/zinc/22/27/28/427222728.db2.gz	QKSIDOWGTSXWNO-UHFFFAOYSA-N	0	3	301.434	2.513	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1Br)[C@@H]1CCCO1	ZINC000183236108	427228299	/nfs/dbraw/zinc/22/82/99/427228299.db2.gz	UCSDMEOBTBJZJI-YGRLFVJLSA-N	0	3	309.207	2.978	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@]2(CC)CO)cc1OC	ZINC000191012266	427230618	/nfs/dbraw/zinc/23/06/18/427230618.db2.gz	WTSVITUITPZRMQ-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
CCC[C@@]1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCOC1	ZINC000285540294	427265301	/nfs/dbraw/zinc/26/53/01/427265301.db2.gz	LNQLWYFIABACFX-MRXNPFEDSA-N	0	3	321.446	2.724	20	30		DFEDHN
C[C@H](NCCn1cnc2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000338352965	427273949	/nfs/dbraw/zinc/27/39/49/427273949.db2.gz	QVHSTXCALDTXHD-AWEZNQCLSA-N	0	3	318.380	2.619	20	30		DFEDHN
Cn1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1C#N	ZINC000191200966	427283629	/nfs/dbraw/zinc/28/36/29/427283629.db2.gz	QVSDUOWYYMQFCY-INIZCTEOSA-N	0	3	322.412	2.747	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-n2cccn2)cc1	ZINC000191253152	427299605	/nfs/dbraw/zinc/29/96/05/427299605.db2.gz	NZAGDHLLSYXAPJ-AWEZNQCLSA-N	0	3	305.385	2.933	20	30		DFEDHN
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@H](C)C2)c(C)c1	ZINC000330774706	427302279	/nfs/dbraw/zinc/30/22/79/427302279.db2.gz	GWWHOHAOXXXKBO-GXTWGEPZSA-N	0	3	303.406	2.695	20	30		DFEDHN
CCOc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1Cl	ZINC000330920344	427318471	/nfs/dbraw/zinc/31/84/71/427318471.db2.gz	ZKWCCJWQHKPVHP-CMPLNLGQSA-N	0	3	311.813	2.921	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCCN(c2ccccn2)CC1	ZINC000183810464	427345370	/nfs/dbraw/zinc/34/53/70/427345370.db2.gz	SGCRBSXWQNEVCT-UHFFFAOYSA-N	0	3	322.412	2.544	20	30		DFEDHN
CNC(=O)c1cccc(NC(=O)NCC2=CCN(C)CC2)c1C	ZINC000330676228	427289588	/nfs/dbraw/zinc/28/95/88/427289588.db2.gz	ADQJIHSNCFKQOU-UHFFFAOYSA-N	0	3	316.405	2.517	20	30		DFEDHN
C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000293344706	427294468	/nfs/dbraw/zinc/29/44/68/427294468.db2.gz	SPSWUBCIJTVCKE-UHFFFAOYSA-N	0	3	321.371	2.660	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)NCc1ncc(C(C)(C)C)o1	ZINC000330709218	427296107	/nfs/dbraw/zinc/29/61/07/427296107.db2.gz	ODCDLJQNRATRMC-ZDUSSCGKSA-N	0	3	322.453	2.850	20	30		DFEDHN
COCCN(CCC(C)(C)C(=O)OC)Cc1ccc(C#N)cc1	ZINC000338546596	427372442	/nfs/dbraw/zinc/37/24/42/427372442.db2.gz	NOCBFXPIAWPBEQ-UHFFFAOYSA-N	0	3	318.417	2.596	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000331223422	427376058	/nfs/dbraw/zinc/37/60/58/427376058.db2.gz	CKKCYLCQKUCSQN-PMPSAXMXSA-N	0	3	323.481	2.592	20	30		DFEDHN
Cn1cc(CNC[C@@](C)(O)c2ccccc2Cl)cc1C#N	ZINC000191602937	427387220	/nfs/dbraw/zinc/38/72/20/427387220.db2.gz	UNWNYBNGNRBSOC-MRXNPFEDSA-N	0	3	303.793	2.547	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000271053841	427390082	/nfs/dbraw/zinc/39/00/82/427390082.db2.gz	QSAJOGUOMADXLE-AEFFLSMTSA-N	0	3	300.402	2.694	20	30		DFEDHN
CCNC(=O)NC(=O)[C@@H](C)NC1(c2ccccc2)CCCCC1	ZINC000331319193	427397644	/nfs/dbraw/zinc/39/76/44/427397644.db2.gz	ZVGAKWOWBCEMBF-CQSZACIVSA-N	0	3	317.433	2.874	20	30		DFEDHN
COc1cccc(C)c1NC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000331321475	427399817	/nfs/dbraw/zinc/39/98/17/427399817.db2.gz	KCKLSXRUJIGCGM-ZDUSSCGKSA-N	0	3	303.406	2.980	20	30		DFEDHN
Cc1n[nH]c(C)c1CN1CCCN(c2ccccc2C#N)CC1	ZINC000271096438	427404130	/nfs/dbraw/zinc/40/41/30/427404130.db2.gz	LWKILHUVBQQKSD-UHFFFAOYSA-N	0	3	309.417	2.611	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H](C)N2CCc3ccccc3C2)n1	ZINC000286020240	427404458	/nfs/dbraw/zinc/40/44/58/427404458.db2.gz	FUXQZSPSNDLKIE-AWEZNQCLSA-N	0	3	307.401	2.515	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1	ZINC000297569980	427411921	/nfs/dbraw/zinc/41/19/21/427411921.db2.gz	SNEWFLBFVWYKKF-HZPDHXFCSA-N	0	3	317.433	2.717	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000286053927	427413382	/nfs/dbraw/zinc/41/33/82/427413382.db2.gz	LLZOQXTZRONZQN-CYBMUJFWSA-N	0	3	305.809	2.814	20	30		DFEDHN
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(C#N)c(F)c1	ZINC000293733475	427415948	/nfs/dbraw/zinc/41/59/48/427415948.db2.gz	OOFQKVSBTIYHQD-STQMWFEESA-N	0	3	305.397	2.900	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000331455048	427416199	/nfs/dbraw/zinc/41/61/99/427416199.db2.gz	AFZXSHKSOJSFJT-XJKSGUPXSA-N	0	3	307.401	2.871	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)CC1CCS(=O)(=O)CC1	ZINC000270433335	427356873	/nfs/dbraw/zinc/35/68/73/427356873.db2.gz	IMCHOWBDDIWRQH-UHFFFAOYSA-N	0	3	320.458	2.595	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC#N)CC1	ZINC000331160651	427359159	/nfs/dbraw/zinc/35/91/59/427359159.db2.gz	RGPFFQHGMLUXCF-AWEZNQCLSA-N	0	3	300.406	2.629	20	30		DFEDHN
CCc1nc(C)c(NC(=O)N[C@H](C)C2=CCN(C)CC2)s1	ZINC000331182830	427364080	/nfs/dbraw/zinc/36/40/80/427364080.db2.gz	HUOONXPVXGMJPL-SNVBAGLBSA-N	0	3	308.451	2.990	20	30		DFEDHN
CC(C)[C@](C)(CO)NC(=O)c1cccc(CN2CCCC2)c1	ZINC000331192770	427366684	/nfs/dbraw/zinc/36/66/84/427366684.db2.gz	KPCXFAQOKLQDHT-SFHVURJKSA-N	0	3	304.434	2.994	20	30		DFEDHN
CCN1CCN(c2ccccc2NCc2cc(C#N)n(C)c2)CC1	ZINC000191511098	427368659	/nfs/dbraw/zinc/36/86/59/427368659.db2.gz	UWBCHPCMTKVOJG-UHFFFAOYSA-N	0	3	323.444	2.651	20	30		DFEDHN
C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cc(C#N)n(C)c1	ZINC000191515816	427368722	/nfs/dbraw/zinc/36/87/22/427368722.db2.gz	CVBWHJKSZMJEAM-SJCJKPOMSA-N	0	3	301.365	2.638	20	30		DFEDHN
COc1cc(CN(C)C[C@H](O)Cc2ccccc2)ccc1C#N	ZINC000293826142	427454618	/nfs/dbraw/zinc/45/46/18/427454618.db2.gz	GDSJBNOLMBLBKA-GOSISDBHSA-N	0	3	310.397	2.602	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000338787311	427488442	/nfs/dbraw/zinc/48/84/42/427488442.db2.gz	JWESMJFFSAQWSD-INIZCTEOSA-N	0	3	317.481	2.898	20	30		DFEDHN
CC[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(C#N)cc1	ZINC000278841748	427472651	/nfs/dbraw/zinc/47/26/51/427472651.db2.gz	UWBPXHSCLZEDHA-LJQANCHMSA-N	0	3	321.424	2.958	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](CC)[C@H](O)C2)ccc1OC	ZINC000271273006	427477876	/nfs/dbraw/zinc/47/78/76/427477876.db2.gz	KBLLLHDQDIXYTO-HZPDHXFCSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](c2ncc[nH]2)c2ccccn2)CC1	ZINC000278873675	427484724	/nfs/dbraw/zinc/48/47/24/427484724.db2.gz	XFTNMNHSFHMWSI-QGZVFWFLSA-N	0	3	311.433	2.524	20	30		DFEDHN
C=CC[C@H](CO)NCc1cc(Br)c(OC)s1	ZINC000184281744	427428219	/nfs/dbraw/zinc/42/82/19/427428219.db2.gz	UHDAMOLYVAUQHA-MRVPVSSYSA-N	0	3	306.225	2.546	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000286367602	427505344	/nfs/dbraw/zinc/50/53/44/427505344.db2.gz	YMZCUPVTHRHVMW-HUUCEWRRSA-N	0	3	303.431	2.761	20	30		DFEDHN
CCc1nnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C#N)c1CC	ZINC000286427832	427526479	/nfs/dbraw/zinc/52/64/79/427526479.db2.gz	RPSCCLPTKMKWNC-KBPBESRZSA-N	0	3	313.449	2.536	20	30		DFEDHN
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN2CCC[C@H]2C1	ZINC000338864302	427528367	/nfs/dbraw/zinc/52/83/67/427528367.db2.gz	PMWFEJTWDXDPFS-GJZGRUSLSA-N	0	3	303.454	2.652	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1	ZINC000263963827	427622296	/nfs/dbraw/zinc/62/22/96/427622296.db2.gz	TWHRFFKDLUTMNR-INIZCTEOSA-N	0	3	312.457	2.814	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000271543128	427577498	/nfs/dbraw/zinc/57/74/98/427577498.db2.gz	QYYITOOPDWHVGL-OAHLLOKOSA-N	0	3	323.433	2.964	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1ccccc1-c1ccccc1C#N	ZINC000287325683	427578803	/nfs/dbraw/zinc/57/88/03/427578803.db2.gz	XKFUFEPBMPUDQX-AWEZNQCLSA-N	0	3	307.397	2.905	20	30		DFEDHN
C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000271916627	427595773	/nfs/dbraw/zinc/59/57/73/427595773.db2.gz	CMDIKZAXORCTDH-LLVKDONJSA-N	0	3	307.369	2.873	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C	ZINC000263983843	427627006	/nfs/dbraw/zinc/62/70/06/427627006.db2.gz	HBZFXMOQBDSPAG-CYBMUJFWSA-N	0	3	305.381	2.928	20	30		DFEDHN
C[C@H]1NC(=O)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000298513264	427634322	/nfs/dbraw/zinc/63/43/22/427634322.db2.gz	KTVVQPMSQYTNMJ-AUUYWEPGSA-N	0	3	319.408	2.982	20	30		DFEDHN
C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000298513268	427634920	/nfs/dbraw/zinc/63/49/20/427634920.db2.gz	KTVVQPMSQYTNMJ-IFXJQAMLSA-N	0	3	319.408	2.982	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCCCCC#N)C(C)C	ZINC000264038233	427641392	/nfs/dbraw/zinc/64/13/92/427641392.db2.gz	FOGWQNBZIUTICN-MRXNPFEDSA-N	0	3	306.454	2.678	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCOCCC#N	ZINC000339060122	427654190	/nfs/dbraw/zinc/65/41/90/427654190.db2.gz	NZKJVDWGEFAVBQ-IAGOWNOFSA-N	0	3	301.434	2.511	20	30		DFEDHN
CCC[C@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000339077767	427664239	/nfs/dbraw/zinc/66/42/39/427664239.db2.gz	XAJMCNMCSINJMR-IBGZPJMESA-N	0	3	315.461	2.903	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccnc(C#N)c1	ZINC000193113764	427668581	/nfs/dbraw/zinc/66/85/81/427668581.db2.gz	QEDDKQHHHQQIGR-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
COc1ccc([C@@H]2OCC[C@H]2NCc2cc(C#N)cs2)cn1	ZINC000343408237	272139777	/nfs/dbraw/zinc/13/97/77/272139777.db2.gz	XQZHYMPLHKYPJL-ZBFHGGJFSA-N	0	3	315.398	2.643	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000343559241	272170977	/nfs/dbraw/zinc/17/09/77/272170977.db2.gz	VNSBMYCEAWROCA-KRWDZBQOSA-N	0	3	311.429	2.580	20	30		DFEDHN
N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1ccccn1	ZINC000193255523	427681050	/nfs/dbraw/zinc/68/10/50/427681050.db2.gz	CRQCZXNIEQMYMY-AWEZNQCLSA-N	0	3	306.300	2.896	20	30		DFEDHN
C[C@@H]1CCCN1C(=O)CCN(Cc1ccc(C#N)cc1)C1CC1	ZINC000344115516	272266616	/nfs/dbraw/zinc/26/66/16/272266616.db2.gz	OCMPKXMEKXEAFK-OAHLLOKOSA-N	0	3	311.429	2.924	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N2CCC[C@]2(C)C1=O)C(C)C	ZINC000272326138	427710430	/nfs/dbraw/zinc/71/04/30/427710430.db2.gz	UBMBJIZRZREGTR-MAUKXSAKSA-N	0	3	319.449	2.502	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n1	ZINC000287924941	427717255	/nfs/dbraw/zinc/71/72/55/427717255.db2.gz	QNOJPZWKLXXACK-WMLDXEAASA-N	0	3	307.401	2.732	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1)OCC	ZINC000339399287	427769575	/nfs/dbraw/zinc/76/95/75/427769575.db2.gz	HZQUAHWDTZZUFH-SFHVURJKSA-N	0	3	318.461	2.948	20	30		DFEDHN
CCN1CCC(N(C)c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000301260447	427784824	/nfs/dbraw/zinc/78/48/24/427784824.db2.gz	FFRXXVHVTLMZHO-UHFFFAOYSA-N	0	3	312.339	2.893	20	30		DFEDHN
Cc1nocc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000339246770	427739915	/nfs/dbraw/zinc/73/99/15/427739915.db2.gz	DFTKDUHIIQJOMB-HNNXBMFYSA-N	0	3	314.364	2.752	20	30		DFEDHN
CCN(C[C@H](O)COCC(C)C)[C@@H](C)c1ccc(C#N)cc1	ZINC000299075543	427746900	/nfs/dbraw/zinc/74/69/00/427746900.db2.gz	DHQSUZSISQQYDS-YJBOKZPZSA-N	0	3	304.434	2.975	20	30		DFEDHN
N#Cc1cc(Cl)ccc1N1CCC(CN2CCOCC2)CC1	ZINC000301520663	427801580	/nfs/dbraw/zinc/80/15/80/427801580.db2.gz	LEDDANTUBDBJNS-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
CN(C(=O)CN1CC[C@@H](CC2CC2)C1)C1(C#N)CCCCC1	ZINC000339680717	427810903	/nfs/dbraw/zinc/81/09/03/427810903.db2.gz	XKAVAKZJIDPEJH-INIZCTEOSA-N	0	3	303.450	2.793	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)c2ccc(C#N)o2)CC1	ZINC000339738661	427820120	/nfs/dbraw/zinc/82/01/20/427820120.db2.gz	SZCBOPPDUWXRCU-UHFFFAOYSA-N	0	3	324.384	2.910	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301804814	427826136	/nfs/dbraw/zinc/82/61/36/427826136.db2.gz	VKZIKAQLDDBEAU-AWEZNQCLSA-N	0	3	317.393	2.784	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](N(C)C)C1	ZINC000339876521	427858273	/nfs/dbraw/zinc/85/82/73/427858273.db2.gz	GFNXYSPSLQJPPS-ZDUSSCGKSA-N	0	3	313.426	2.858	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)c2ccc(F)c(F)c2)CC1	ZINC000359401018	427834400	/nfs/dbraw/zinc/83/44/00/427834400.db2.gz	BVWBNXYMLDVMIH-GFCCVEGCSA-N	0	3	308.372	2.835	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000355644750	427835690	/nfs/dbraw/zinc/83/56/90/427835690.db2.gz	WUOFLCYKWUREAM-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1ccc(C#N)cn1	ZINC000301923145	427841795	/nfs/dbraw/zinc/84/17/95/427841795.db2.gz	LPKZYNHRKCPLTF-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
CN(C)C(=O)[C@@H](NCCc1cccc(C#N)c1)c1ccccc1	ZINC000355670887	427842241	/nfs/dbraw/zinc/84/22/41/427842241.db2.gz	PPKGBGMKUBNLIX-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
CCc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000349715665	427849264	/nfs/dbraw/zinc/84/92/64/427849264.db2.gz	PFDMAWHNQPGCQA-CQSZACIVSA-N	0	3	324.409	2.576	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1nccnc1C#N	ZINC000302224496	427851597	/nfs/dbraw/zinc/85/15/97/427851597.db2.gz	QIZUCXQRTSZDOI-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000359452088	427859013	/nfs/dbraw/zinc/85/90/13/427859013.db2.gz	HGCGCQCPZBVALG-KDOFPFPSSA-N	0	3	320.396	2.519	20	30		DFEDHN
CC(C)(C)N1C[C@H](C(=O)NCCCCC#N)[C@@H](C(F)(F)F)C1	ZINC000339937009	427879655	/nfs/dbraw/zinc/87/96/55/427879655.db2.gz	AEGOLYDUZRVXHW-RYUDHWBXSA-N	0	3	319.371	2.705	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CCCOC2)C1	ZINC000355784167	427891287	/nfs/dbraw/zinc/89/12/87/427891287.db2.gz	OHTYAOFVVRZDJS-WMZOPIPTSA-N	0	3	308.466	2.692	20	30		DFEDHN
C[C@H](CN1CCCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000355784279	427893059	/nfs/dbraw/zinc/89/30/59/427893059.db2.gz	IVMKPTKKVRVPBH-GFCCVEGCSA-N	0	3	303.366	2.538	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1	ZINC000359534083	427896125	/nfs/dbraw/zinc/89/61/25/427896125.db2.gz	BFKGLLWMMXCWET-DLTWYDFYSA-N	0	3	320.433	2.806	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369517324	427985614	/nfs/dbraw/zinc/98/56/14/427985614.db2.gz	NCJLCTJNJPINAN-IPYPFGDCSA-N	0	3	320.462	2.542	20	30		DFEDHN
C=CCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000350043672	427929929	/nfs/dbraw/zinc/92/99/29/427929929.db2.gz	XNUFILSCRBJCMG-KRWDZBQOSA-N	0	3	301.434	2.774	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000369639194	428023863	/nfs/dbraw/zinc/02/38/63/428023863.db2.gz	NXSOFHBEHVOJPA-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000369709842	428042043	/nfs/dbraw/zinc/04/20/43/428042043.db2.gz	UFRUDPQAHVCKOM-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
C[C@@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)c(F)c1	ZINC000346159633	428043454	/nfs/dbraw/zinc/04/34/54/428043454.db2.gz	HZARCDVTAYHAGR-CYBMUJFWSA-N	0	3	314.360	2.919	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NCC1(N(C)C)CCC1	ZINC000413471029	428056207	/nfs/dbraw/zinc/05/62/07/428056207.db2.gz	OXNLJGJFGQYRPO-QGZVFWFLSA-N	0	3	315.461	2.957	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1	ZINC000341124928	427996614	/nfs/dbraw/zinc/99/66/14/427996614.db2.gz	MQQDOFLKCIICMA-AWEZNQCLSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)N(C)C1CC1	ZINC000413253377	428002000	/nfs/dbraw/zinc/00/20/00/428002000.db2.gz	URWGGPHPFZZBBV-NVXWUHKLSA-N	0	3	315.461	2.956	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000369571122	428004900	/nfs/dbraw/zinc/00/49/00/428004900.db2.gz	VHVZEUWTEINIIX-IIAWOOMASA-N	0	3	322.474	2.838	20	30		DFEDHN
N#Cc1csc(CN2CCN(CC3CCCCC3)CC2)n1	ZINC000356066839	428006984	/nfs/dbraw/zinc/00/69/84/428006984.db2.gz	QOJKVPMYBZVISM-UHFFFAOYSA-N	0	3	304.463	2.713	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000359786700	428018054	/nfs/dbraw/zinc/01/80/54/428018054.db2.gz	FZPRALNQTVNPOQ-KRWDZBQOSA-N	0	3	311.360	2.730	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O	ZINC000359793071	428020520	/nfs/dbraw/zinc/02/05/20/428020520.db2.gz	PGKUTSZCLJCIHV-KEMBBXRSSA-N	0	3	313.184	2.570	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cn1	ZINC000359920379	428076859	/nfs/dbraw/zinc/07/68/59/428076859.db2.gz	ZCQDQNIITNFCPQ-LBPRGKRZSA-N	0	3	316.704	2.889	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000341476747	428081158	/nfs/dbraw/zinc/08/11/58/428081158.db2.gz	CUIVYYZHHZEMQM-QGZVFWFLSA-N	0	3	315.461	2.740	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nccc3c2C(=O)OC3(C)C)CC1	ZINC000359932774	428082729	/nfs/dbraw/zinc/08/27/29/428082729.db2.gz	DBTCLLLOBWRFDN-UHFFFAOYSA-N	0	3	315.417	2.940	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](N2CCOCC2)[C@H]1C	ZINC000356258023	428091499	/nfs/dbraw/zinc/09/14/99/428091499.db2.gz	LNODIGITAUCVIA-AEFFLSMTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360025563	428121965	/nfs/dbraw/zinc/12/19/65/428121965.db2.gz	RFNXIXZDRJCTBE-BZUAXINKSA-N	0	3	313.445	2.898	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000352064907	428125487	/nfs/dbraw/zinc/12/54/87/428125487.db2.gz	DUXHNNZDNWFRTE-DYVFJYSZSA-N	0	3	319.364	2.824	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C	ZINC000341421044	428064440	/nfs/dbraw/zinc/06/44/40/428064440.db2.gz	TXNYIAVRWFWIRZ-GJZGRUSLSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@]2(CCCCO2)C1	ZINC000370091351	428131455	/nfs/dbraw/zinc/13/14/55/428131455.db2.gz	BLBBFPUWHQANFW-AEFFLSMTSA-N	0	3	306.450	2.611	20	30		DFEDHN
CSC1(CNC(=O)Nc2ccc(C#N)cc2)CCN(C)CC1	ZINC000352414760	428135117	/nfs/dbraw/zinc/13/51/17/428135117.db2.gz	JWNNDNADFFZQRL-UHFFFAOYSA-N	0	3	318.446	2.507	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356366593	428146235	/nfs/dbraw/zinc/14/62/35/428146235.db2.gz	WJJNKEYFGYMJJI-QGPMSJSTSA-N	0	3	311.429	2.673	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@H]2C2CCCC2)c1	ZINC000377440417	428129176	/nfs/dbraw/zinc/12/91/76/428129176.db2.gz	TYEPCGRRLSEWPF-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CCC1	ZINC000370220951	428159094	/nfs/dbraw/zinc/15/90/94/428159094.db2.gz	RZWAPLAVBXFULX-KRWDZBQOSA-N	0	3	311.429	2.504	20	30		DFEDHN
C[C@@H]1C[C@H](CNC(=O)C(C#N)CCc2ccccc2)[C@@H](C)O1	ZINC000413979674	428177238	/nfs/dbraw/zinc/17/72/38/428177238.db2.gz	IXYUKEQIKKFNPF-MUIFIZLQSA-N	0	3	300.402	2.689	20	30		DFEDHN
CCS[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000346536028	428208281	/nfs/dbraw/zinc/20/82/81/428208281.db2.gz	WHQIMJOZFYDELN-BFHYXJOUSA-N	0	3	309.479	2.591	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C	ZINC000346570334	428221880	/nfs/dbraw/zinc/22/18/80/428221880.db2.gz	JNUSKULRSMKGMD-WDEREUQCSA-N	0	3	309.772	2.676	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(CCCOc3ccc(C#N)cc3)C2)c1	ZINC000377769097	428223628	/nfs/dbraw/zinc/22/36/28/428223628.db2.gz	BBMYOYSUZHFFOZ-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C#N)c1Cl	ZINC000341837016	428224750	/nfs/dbraw/zinc/22/47/50/428224750.db2.gz	ALPXCRFMNUKPIV-JHJVBQTASA-N	0	3	306.841	3.385	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000360165545	428187575	/nfs/dbraw/zinc/18/75/75/428187575.db2.gz	YMOHILMFXVHRBA-MAUKXSAKSA-N	0	3	315.417	2.576	20	30		DFEDHN
C[C@@H](CNCc1nc(C#N)cs1)N(C)Cc1ccccc1	ZINC000352838456	428274909	/nfs/dbraw/zinc/27/49/09/428274909.db2.gz	FOGZMLZALCOEPG-ZDUSSCGKSA-N	0	3	300.431	2.625	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000360399193	428283785	/nfs/dbraw/zinc/28/37/85/428283785.db2.gz	BIBOMZUKTOJBAL-HKUYNNGSSA-N	0	3	316.445	2.703	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@H]2CCCCN2Cc2ccccc2)n1	ZINC000341936879	428256075	/nfs/dbraw/zinc/25/60/75/428256075.db2.gz	UOIVBSMANMOUCT-SFHVURJKSA-N	0	3	321.428	3.123	20	30		DFEDHN
CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(C#N)o2)CC1	ZINC000342119167	428308530	/nfs/dbraw/zinc/30/85/30/428308530.db2.gz	BGIYSTWCAGDEBT-UHFFFAOYSA-N	0	3	323.396	2.888	20	30		DFEDHN
CC1=CCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000356800226	428313205	/nfs/dbraw/zinc/31/32/05/428313205.db2.gz	FOJAGOACPZIASG-GOSISDBHSA-N	0	3	311.429	2.842	20	30		DFEDHN
CC(C)C[C@@H](CO)N(C)Cc1ccc(C#N)cc1OC(F)F	ZINC000360496623	428322398	/nfs/dbraw/zinc/32/23/98/428322398.db2.gz	UMTARQPRHDQQDC-AWEZNQCLSA-N	0	3	312.360	2.998	20	30		DFEDHN
COc1cc(CNC[C@@H](CO)c2ccc(F)cc2)ccc1C#N	ZINC000414530506	428330873	/nfs/dbraw/zinc/33/08/73/428330873.db2.gz	QOFIRRUREYQZLP-INIZCTEOSA-N	0	3	314.360	2.572	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nc(C)nc(C)c1F)C(C)C	ZINC000356767789	428299996	/nfs/dbraw/zinc/29/99/96/428299996.db2.gz	GIRYPGLSHZOFMX-HNNXBMFYSA-N	0	3	306.429	3.343	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000371496146	428392928	/nfs/dbraw/zinc/39/29/28/428392928.db2.gz	HOWQBIAEXPCDNT-UKRRQHHQSA-N	0	3	307.463	2.958	20	30		DFEDHN
Cc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1[O-]	ZINC000378455861	428400877	/nfs/dbraw/zinc/40/08/77/428400877.db2.gz	RYLSOMLVAHYRDY-UHFFFAOYSA-N	0	3	322.412	2.726	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1cncc(Br)c1)C1CC1	ZINC000356913592	428359506	/nfs/dbraw/zinc/35/95/06/428359506.db2.gz	HRLMXTVLEWDKEP-PELKAZGASA-N	0	3	308.179	2.571	20	30		DFEDHN
Cc1nnc(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)c(C#N)c1C	ZINC000371108038	428362167	/nfs/dbraw/zinc/36/21/67/428362167.db2.gz	QITQNCGXUGBZMC-PIIMJCKOSA-N	0	3	319.412	2.507	20	30		DFEDHN
Cc1c(C#N)cccc1-c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000346904636	428364927	/nfs/dbraw/zinc/36/49/27/428364927.db2.gz	WNVZZJXVGZSANS-GJZGRUSLSA-N	0	3	321.384	2.772	20	30		DFEDHN
CC(C)N(CCC(=O)N(C)CCC#N)Cc1ccccc1F	ZINC000356971660	428365720	/nfs/dbraw/zinc/36/57/20/428365720.db2.gz	BIBJUUQSVXLYSX-UHFFFAOYSA-N	0	3	305.397	2.798	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCC(=O)N(C)CCC#N	ZINC000357005806	428367746	/nfs/dbraw/zinc/36/77/46/428367746.db2.gz	CGKFSJIZAHAZOA-KGLIPLIRSA-N	0	3	317.408	2.895	20	30		DFEDHN
COc1ccc([C@H](C)NC(=O)C(C)C#N)cc1Br	ZINC000347082903	428436701	/nfs/dbraw/zinc/43/67/01/428436701.db2.gz	YMZSQYNGQZZMKE-IUCAKERBSA-N	0	3	311.179	2.795	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000360799980	428444983	/nfs/dbraw/zinc/44/49/83/428444983.db2.gz	UUMGLGQPBABRAK-MFKMUULPSA-N	0	3	312.291	2.765	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000347106344	428447759	/nfs/dbraw/zinc/44/77/59/428447759.db2.gz	LPLXUQCSUHCXBK-RISCZKNCSA-N	0	3	323.799	2.719	20	30		DFEDHN
COCC[C@H](Cc1ccco1)NCc1cnc2ccc(C#N)cn12	ZINC000342785845	428455087	/nfs/dbraw/zinc/45/50/87/428455087.db2.gz	WVLSZJNHUYMOJU-OAHLLOKOSA-N	0	3	324.384	2.536	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N(C)Cc3cccc(C#N)c3)C2)nn1	ZINC000372585642	428469583	/nfs/dbraw/zinc/46/95/83/428469583.db2.gz	RABBQMAWRUAJAM-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
COc1cc(CNCc2ccc3c(c2)ncn3C)ccc1C#N	ZINC000353181800	428419695	/nfs/dbraw/zinc/41/96/95/428419695.db2.gz	FWEWZJNRKIJYJM-UHFFFAOYSA-N	0	3	306.369	2.743	20	30		DFEDHN
C=CCCN(C)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000342386103	428424189	/nfs/dbraw/zinc/42/41/89/428424189.db2.gz	LMWHWZQBIZZLAU-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000372963850	428508226	/nfs/dbraw/zinc/50/82/26/428508226.db2.gz	FYGPFAXTVCUFKC-KRWDZBQOSA-N	0	3	322.452	2.991	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)C[C@H]21	ZINC000372984194	428509946	/nfs/dbraw/zinc/50/99/46/428509946.db2.gz	UUXSMVLQJNSJQH-FGTMMUONSA-N	0	3	311.429	2.627	20	30		DFEDHN
N#Cc1ccc(N2CCN([C@H]3CCSC3)CC2)cc1Cl	ZINC000373056976	428515466	/nfs/dbraw/zinc/51/54/66/428515466.db2.gz	MVIPQPSVNFJENB-AWEZNQCLSA-N	0	3	307.850	2.839	20	30		DFEDHN
N#CCCCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1	ZINC000373129547	428518437	/nfs/dbraw/zinc/51/84/37/428518437.db2.gz	YUWUOVFDNJAOGI-UHFFFAOYSA-N	0	3	310.401	2.750	20	30		DFEDHN
CC(C)Cn1ccnc1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21	ZINC000373185282	428520074	/nfs/dbraw/zinc/52/00/74/428520074.db2.gz	IAKDXUJNLUDIPW-HZMVEIRTSA-N	0	3	316.449	2.869	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CCCCO2)C1	ZINC000373182724	428521564	/nfs/dbraw/zinc/52/15/64/428521564.db2.gz	LGRSUZVZLZIHQM-WMZOPIPTSA-N	0	3	308.466	2.835	20	30		DFEDHN
CN1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301707216	273870649	/nfs/dbraw/zinc/87/06/49/273870649.db2.gz	CBGLEJLHLFAASW-UHFFFAOYSA-N	0	3	311.345	2.521	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H](C)C#N)N(C)C	ZINC000357304891	428473231	/nfs/dbraw/zinc/47/32/31/428473231.db2.gz	KIBAXOQDTXCLBQ-LXZKKBNFSA-N	0	3	316.449	2.787	20	30		DFEDHN
C=CCN(C(=O)c1ccccn1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372601692	428474777	/nfs/dbraw/zinc/47/47/77/428474777.db2.gz	RLMVLLXMPQAPKO-SFHVURJKSA-N	0	3	321.424	2.984	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCCN(CCC)CC1	ZINC000361616425	428581908	/nfs/dbraw/zinc/58/19/08/428581908.db2.gz	XXBDPWRETVPXEO-UHFFFAOYSA-N	0	3	302.418	2.809	20	30		DFEDHN
COc1ccc(CCNCc2ccc(C#N)s2)c(OC)c1	ZINC000343852302	428583159	/nfs/dbraw/zinc/58/31/59/428583159.db2.gz	NFYGBKYEZPVDEW-UHFFFAOYSA-N	0	3	302.399	2.969	20	30		DFEDHN
CC#CCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000361644448	428586494	/nfs/dbraw/zinc/58/64/94/428586494.db2.gz	AGIRDWWJDUTVPP-UHFFFAOYSA-N	0	3	301.434	2.693	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)c2cccc(OC)c2)CC1	ZINC000361685397	428589111	/nfs/dbraw/zinc/58/91/11/428589111.db2.gz	NLSHSJOYRGUUPY-UHFFFAOYSA-N	0	3	302.418	2.809	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc(C#N)o1)C1CC1	ZINC000347309626	428540564	/nfs/dbraw/zinc/54/05/64/428540564.db2.gz	XQROETJBDKYURJ-QGZVFWFLSA-N	0	3	323.396	2.792	20	30		DFEDHN
C[C@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H](C)CN1C	ZINC000361165506	428544437	/nfs/dbraw/zinc/54/44/37/428544437.db2.gz	JRGKTXCPEPXXAN-HOTGVXAUSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCN(C(=O)NC[C@H](Cc1ccccc1)N(C)C)C1CC1	ZINC000357568189	428548449	/nfs/dbraw/zinc/54/84/49/428548449.db2.gz	KAYBXTSDYBSEPY-KRWDZBQOSA-N	0	3	301.434	2.519	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2cc[nH]c2n1	ZINC000347332684	428549971	/nfs/dbraw/zinc/54/99/71/428549971.db2.gz	OUTBCWQDUYSUHM-GFCCVEGCSA-N	0	3	315.336	2.940	20	30		DFEDHN
N#Cc1ccccc1Cn1cccc1CN1CC[C@@](O)(C2CC2)C1	ZINC000373325361	428550456	/nfs/dbraw/zinc/55/04/56/428550456.db2.gz	SUJDLPBSYOCWNE-FQEVSTJZSA-N	0	3	321.424	2.755	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1cncc(C#N)n1	ZINC000401212166	428550667	/nfs/dbraw/zinc/55/06/67/428550667.db2.gz	OCGQGJIZMVQSRU-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1	ZINC000373375747	428560496	/nfs/dbraw/zinc/56/04/96/428560496.db2.gz	FVFTYDODTXSAAE-SWLSCSKDSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(CNC)c1	ZINC000415956737	428634934	/nfs/dbraw/zinc/63/49/34/428634934.db2.gz	IYDFSQRCMXWLNT-GOEBONIOSA-N	0	3	303.406	2.509	20	30		DFEDHN
CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1cccs1	ZINC000347652095	428621057	/nfs/dbraw/zinc/62/10/57/428621057.db2.gz	PTERDXHWUUHCMO-HNNXBMFYSA-N	0	3	313.426	2.977	20	30		DFEDHN
CCOC(=O)COCCN(CC)[C@H](C)c1ccc(C#N)cc1	ZINC000347735183	428622452	/nfs/dbraw/zinc/62/24/52/428622452.db2.gz	MUGTWAAKKOSYEK-CQSZACIVSA-N	0	3	304.390	2.521	20	30		DFEDHN
CCC(=O)CCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000347721683	428622650	/nfs/dbraw/zinc/62/26/50/428622650.db2.gz	QGJMZZJDIYVQAM-UHFFFAOYSA-N	0	3	313.445	2.825	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC(C)C)c2)nc(C)n1	ZINC000347803289	428625487	/nfs/dbraw/zinc/62/54/87/428625487.db2.gz	JOUMMUYQIINLPU-CQSZACIVSA-N	0	3	310.357	2.766	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C(C)(C)C)[C@@H](O)C1	ZINC000347789100	428625555	/nfs/dbraw/zinc/62/55/55/428625555.db2.gz	SHLBHTLZGDGYLL-JYJNAYRXSA-N	0	3	310.482	2.528	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)CCc1ccccc1O	ZINC000344165610	428626523	/nfs/dbraw/zinc/62/65/23/428626523.db2.gz	RHUSSSSMGPJEJR-UHFFFAOYSA-N	0	3	323.396	2.767	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C	ZINC000347828863	428628155	/nfs/dbraw/zinc/62/81/55/428628155.db2.gz	QDMCZVMLTXTVRD-ZWNOBZJWSA-N	0	3	313.323	2.584	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H]([C@H](C)CC)C1=O)C(C)C	ZINC000348139209	428640673	/nfs/dbraw/zinc/64/06/73/428640673.db2.gz	BOMXJWDAOSDBGC-OAGGEKHMSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)CCOc2ccccc2F)CC1	ZINC000348169967	428641891	/nfs/dbraw/zinc/64/18/91/428641891.db2.gz	WZZOVPAXPLLEHO-UHFFFAOYSA-N	0	3	320.408	2.561	20	30		DFEDHN
C=CCOCCCN(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000348059650	428635602	/nfs/dbraw/zinc/63/56/02/428635602.db2.gz	WKIILFAEFLZVDL-INIZCTEOSA-N	0	3	324.490	2.646	20	30		DFEDHN
C=CCN1CCC(N[C@@H](c2ccccc2)c2ccncn2)CC1	ZINC000358748810	428656570	/nfs/dbraw/zinc/65/65/70/428656570.db2.gz	FPJSNFALWAFHFM-IBGZPJMESA-N	0	3	308.429	2.806	20	30		DFEDHN
Cc1c([C@@H]2CCCN2CCCC2(C#N)CCOCC2)cnn1C	ZINC000374074243	428662287	/nfs/dbraw/zinc/66/22/87/428662287.db2.gz	JDZQGZSTFYKCDQ-KRWDZBQOSA-N	0	3	316.449	2.966	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@](C)(OC)C1	ZINC000348239809	428673557	/nfs/dbraw/zinc/67/35/57/428673557.db2.gz	PLMYVCBGIKJEQU-PKOBYXMFSA-N	0	3	319.445	2.656	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@@H](c3nc[nH]n3)C2)cc1	ZINC000374547660	428696613	/nfs/dbraw/zinc/69/66/13/428696613.db2.gz	HJTWHVCAGRCKLA-CQSZACIVSA-N	0	3	300.793	2.689	20	30		DFEDHN
CC(C)(NCC(=O)NCc1ccc(C#N)cc1)c1cccs1	ZINC000348312831	428701777	/nfs/dbraw/zinc/70/17/77/428701777.db2.gz	WIBHYEWZXFWTQV-UHFFFAOYSA-N	0	3	313.426	2.761	20	30		DFEDHN
CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)CC(C)C	ZINC000416263445	428704181	/nfs/dbraw/zinc/70/41/81/428704181.db2.gz	RJCRYLQOYVVLAI-IRXDYDNUSA-N	0	3	302.418	2.936	20	30		DFEDHN
COc1cc(NC(=O)CC(C)(C)C#N)ccc1OCCN(C)C	ZINC000416336351	428720312	/nfs/dbraw/zinc/72/03/12/428720312.db2.gz	YSJUNCMAXVGAAS-UHFFFAOYSA-N	0	3	319.405	2.514	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000362391985	428728718	/nfs/dbraw/zinc/72/87/18/428728718.db2.gz	ZXWGUIGRLYNQAF-ZDUSSCGKSA-N	0	3	302.443	2.931	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)CCc1ccc(C#N)cc1	ZINC000344652868	428691796	/nfs/dbraw/zinc/69/17/96/428691796.db2.gz	IFUDQALGCYHCGZ-KRWDZBQOSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1C#N	ZINC000348462140	428752883	/nfs/dbraw/zinc/75/28/83/428752883.db2.gz	VZEJOHGSGWBMGE-ZLKJLUDKSA-N	0	3	323.343	2.635	20	30		DFEDHN
COc1ccc(CN2CC[C@H](OC)C2)cc1OCCCC#N	ZINC000353865167	428753475	/nfs/dbraw/zinc/75/34/75/428753475.db2.gz	KDTIJCOXKFCXKW-HNNXBMFYSA-N	0	3	304.390	2.598	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000348470123	428754103	/nfs/dbraw/zinc/75/41/03/428754103.db2.gz	PWQKYTYTQNXHLS-QLFBSQMISA-N	0	3	323.506	2.981	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1	ZINC000348479816	428754274	/nfs/dbraw/zinc/75/42/74/428754274.db2.gz	PDFGQYNZNXFKCK-GJZGRUSLSA-N	0	3	323.506	2.935	20	30		DFEDHN
C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C#N)s1	ZINC000374805892	428755884	/nfs/dbraw/zinc/75/58/84/428755884.db2.gz	CSNLCMOVWXJQOR-HEHGZKQESA-N	0	3	320.458	2.838	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)[C@H](CO)c1ccccc1	ZINC000411225615	428762098	/nfs/dbraw/zinc/76/20/98/428762098.db2.gz	NJDLTSZHJQYPEP-GOSISDBHSA-N	0	3	323.396	2.552	20	30		DFEDHN
C=CCOCC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000362510569	428776322	/nfs/dbraw/zinc/77/63/22/428776322.db2.gz	PYRPNAQRNCCQQE-GOSISDBHSA-N	0	3	316.445	2.560	20	30		DFEDHN
C=CCOCC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000362510570	428777142	/nfs/dbraw/zinc/77/71/42/428777142.db2.gz	PYRPNAQRNCCQQE-SFHVURJKSA-N	0	3	316.445	2.560	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@H](N2CCOCC2)C[C@@H]1C	ZINC000348553035	428785202	/nfs/dbraw/zinc/78/52/02/428785202.db2.gz	WOBRGVKGZDAVGM-FUHWJXTLSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](OCC)C2=CCCC2)CC1	ZINC000362600478	428795266	/nfs/dbraw/zinc/79/52/66/428795266.db2.gz	PBIOBRDEMHIGCJ-QGZVFWFLSA-N	0	3	306.450	2.659	20	30		DFEDHN
COC[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000411449042	428800738	/nfs/dbraw/zinc/80/07/38/428800738.db2.gz	DSDWQXNQDHDSEG-SFHVURJKSA-N	0	3	323.396	2.864	20	30		DFEDHN
C=CCN(C(=O)[C@H]1CN(C)C[C@@H]1C)c1nc2c(s1)CCCC2	ZINC000362855216	428807873	/nfs/dbraw/zinc/80/78/73/428807873.db2.gz	LQIYRUPCMKQTIZ-STQMWFEESA-N	0	3	319.474	2.739	20	30		DFEDHN
Cc1cc(CN2CCC(N3CCO[C@H](C)C3)CC2)ccc1C#N	ZINC000362935582	428814453	/nfs/dbraw/zinc/81/44/53/428814453.db2.gz	QKDCBCTVQLGFRH-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1c(F)cc([N+](=O)[O-])cc1F	ZINC000411642093	428831707	/nfs/dbraw/zinc/83/17/07/428831707.db2.gz	GRNLRYZJHPAGML-UHFFFAOYSA-N	0	3	313.348	2.813	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccc(C#N)s1)Cc1ccccc1	ZINC000362987150	428833408	/nfs/dbraw/zinc/83/34/08/428833408.db2.gz	QDLUFRCWPQFVRV-AWEZNQCLSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@@H](c3ccco3)C2)CC1	ZINC000362989464	428833638	/nfs/dbraw/zinc/83/36/38/428833638.db2.gz	LJWDMNGKERODCQ-OAHLLOKOSA-N	0	3	317.433	2.819	20	30		DFEDHN
Cn1cc(C[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)cn1	ZINC000363363686	428908597	/nfs/dbraw/zinc/90/85/97/428908597.db2.gz	CEZFSGYXMTUUEZ-INIZCTEOSA-N	0	3	313.832	2.990	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1cccc(Br)c1	ZINC000411774940	428854899	/nfs/dbraw/zinc/85/48/99/428854899.db2.gz	WGKSMAQDRGPKPK-UHFFFAOYSA-N	0	3	309.207	2.733	20	30		DFEDHN
CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(C#N)cc1	ZINC000363141746	428867493	/nfs/dbraw/zinc/86/74/93/428867493.db2.gz	ATZLKHAZDNTXSP-MSOLQXFVSA-N	0	3	311.429	2.924	20	30		DFEDHN
C=CCOc1ccccc1CN1CCO[C@H]2CCN(CC)C[C@@H]21	ZINC000354132565	428878538	/nfs/dbraw/zinc/87/85/38/428878538.db2.gz	XXYCJCUUSPHCHS-HKUYNNGSSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000359256690	428890152	/nfs/dbraw/zinc/89/01/52/428890152.db2.gz	UDROQUVYQDUNQC-GJZGRUSLSA-N	0	3	317.481	2.726	20	30		DFEDHN
C=CCOCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2	ZINC000411994576	428904776	/nfs/dbraw/zinc/90/47/76/428904776.db2.gz	ZQPRWNRMVKPYHM-GOSISDBHSA-N	0	3	301.386	2.689	20	30		DFEDHN
Cc1ncccc1OC[C@H]1CCCN1CCCSCC#N	ZINC000419402493	428932059	/nfs/dbraw/zinc/93/20/59/428932059.db2.gz	QKBIUOCXSGTSDG-OAHLLOKOSA-N	0	3	305.447	2.880	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000363544715	428937272	/nfs/dbraw/zinc/93/72/72/428937272.db2.gz	DJDPKSKSQHJJAV-UHFFFAOYSA-N	0	3	314.433	2.948	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)NCC1(C#N)CCC1	ZINC000419636126	428937398	/nfs/dbraw/zinc/93/73/98/428937398.db2.gz	GSCRPPYIDWMMQS-UHFFFAOYSA-N	0	3	320.481	2.978	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074373	428942746	/nfs/dbraw/zinc/94/27/46/428942746.db2.gz	QZBLWLAWMRXROY-GJZGRUSLSA-N	0	3	324.465	2.511	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(C)C)cn2)CC1	ZINC000354257828	428943405	/nfs/dbraw/zinc/94/34/05/428943405.db2.gz	XRFMNDAWJQKILF-UHFFFAOYSA-N	0	3	301.434	2.975	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](CC=CC)C1=O)C(C)C	ZINC000349236352	428944081	/nfs/dbraw/zinc/94/40/81/428944081.db2.gz	TUEPSCVXZUNOPN-VKFONMJVSA-N	0	3	319.449	2.572	20	30		DFEDHN
C=CCN(Cc1ccc2c(c1)CCO2)C1CCN(C(C)=O)CC1	ZINC000363620593	428954604	/nfs/dbraw/zinc/95/46/04/428954604.db2.gz	OQUAFMRESSKZOZ-UHFFFAOYSA-N	0	3	314.429	2.620	20	30		DFEDHN
CN(CCC1(C#N)CCCCC1)C(C)(C)CN1CCOCC1	ZINC000412102742	428956171	/nfs/dbraw/zinc/95/61/71/428956171.db2.gz	XWCWESWLSQVOMT-UHFFFAOYSA-N	0	3	307.482	2.893	20	30		DFEDHN
C[C@H](CN(C)C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000349336514	428965250	/nfs/dbraw/zinc/96/52/50/428965250.db2.gz	ZWMXKCAFLRWCDX-OAHLLOKOSA-N	0	3	322.412	2.553	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC#N)N(C)C	ZINC000355089116	429027341	/nfs/dbraw/zinc/02/73/41/429027341.db2.gz	VXPAERADCOFTMA-ZBFHGGJFSA-N	0	3	302.422	2.589	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@]2(CCSC2)C1	ZINC000451969785	429030275	/nfs/dbraw/zinc/03/02/75/429030275.db2.gz	XBPZOXRFXBTQTI-NVXWUHKLSA-N	0	3	308.491	2.795	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(Oc3ccccc3)CC2)CC1	ZINC000421767555	429031567	/nfs/dbraw/zinc/03/15/67/429031567.db2.gz	LBCJTZMJOAPLBR-UHFFFAOYSA-N	0	3	314.429	2.755	20	30		DFEDHN
COC1([C@@H](C)NCC#Cc2ccccc2Cl)CCOCC1	ZINC000421035933	428977034	/nfs/dbraw/zinc/97/70/34/428977034.db2.gz	PRTLXUFETQONKE-CQSZACIVSA-N	0	3	307.821	2.865	20	30		DFEDHN
C=CCNC(=O)CN(CCC)[C@H]1C[C@H](OCC)C12CCCC2	ZINC000354417656	428981599	/nfs/dbraw/zinc/98/15/99/428981599.db2.gz	BLUFOOZMQHHSCA-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCn1cc(Br)cc1C(=O)C(C#N)c1ccncn1	ZINC000354464766	428987598	/nfs/dbraw/zinc/98/75/98/428987598.db2.gz	JHGZWYUVUCIVKH-JTQLQIEISA-N	0	3	319.162	2.551	20	30		DFEDHN
COc1ccc2nc(C)cc(C(=O)C(C#N)c3ccncn3)c2c1	ZINC000354470492	428989246	/nfs/dbraw/zinc/98/92/46/428989246.db2.gz	RUVHLFBZDPSIFJ-HNNXBMFYSA-N	0	3	318.336	2.832	20	30		DFEDHN
N#CC(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccncn1	ZINC000354459152	428989285	/nfs/dbraw/zinc/98/92/85/428989285.db2.gz	CRRFRXZMFOKMLY-CYBMUJFWSA-N	0	3	306.300	2.896	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000421333718	428989484	/nfs/dbraw/zinc/98/94/84/428989484.db2.gz	OTBKFSXYVOBEFA-OKILXGFUSA-N	0	3	319.424	2.675	20	30		DFEDHN
C[C@@H]1C[C@@H](CO)CN(Cc2cccc(OCCCC#N)c2)C1	ZINC000421366447	428991332	/nfs/dbraw/zinc/99/13/32/428991332.db2.gz	VKFKBXNAFGRVRR-NVXWUHKLSA-N	0	3	302.418	2.819	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000354554656	428995754	/nfs/dbraw/zinc/99/57/54/428995754.db2.gz	ZLAUKHDCJWSAGT-MFKMUULPSA-N	0	3	312.291	2.765	20	30		DFEDHN
CC1CCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000354610245	429001640	/nfs/dbraw/zinc/00/16/40/429001640.db2.gz	YSSRTHGGROQQNL-GOSISDBHSA-N	0	3	313.445	2.922	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1	ZINC000354703023	429004153	/nfs/dbraw/zinc/00/41/53/429004153.db2.gz	UQKYWDDLNDGFNZ-UHFFFAOYSA-N	0	3	310.401	2.552	20	30		DFEDHN
COCCN(CCOc1cccc(C#N)c1)[C@H]1CCCSC1	ZINC000433189828	429005695	/nfs/dbraw/zinc/00/56/95/429005695.db2.gz	DXXFJINWFQLZPF-INIZCTEOSA-N	0	3	320.458	2.781	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000412316863	429013559	/nfs/dbraw/zinc/01/35/59/429013559.db2.gz	NJUFYBHZJAHJKR-UHFFFAOYSA-N	0	3	311.429	2.815	20	30		DFEDHN
CN(Cc1csc2ccccc12)C(=O)[C@@H](N)CCCC#N	ZINC000424084376	429090162	/nfs/dbraw/zinc/09/01/62/429090162.db2.gz	OFLUQQDZBHPVSA-AWEZNQCLSA-N	0	3	301.415	2.881	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1ccccc1Cl	ZINC000424119791	429094005	/nfs/dbraw/zinc/09/40/05/429094005.db2.gz	GFOMBPNOMAQOLX-GXTWGEPZSA-N	0	3	323.824	2.635	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@H](N)CCCC#N	ZINC000424124997	429094875	/nfs/dbraw/zinc/09/48/75/429094875.db2.gz	NEZZXHFVAGXRTR-DLBZAZTESA-N	0	3	301.434	2.877	20	30		DFEDHN
Cc1ccc(C(C)(C)CN(C)C(=O)[C@H](N)CCCC#N)cc1	ZINC000424118655	429095347	/nfs/dbraw/zinc/09/53/47/429095347.db2.gz	DOCSLVXAOBHHFH-MRXNPFEDSA-N	0	3	301.434	2.752	20	30		DFEDHN
CN(C(=O)[C@H](N)CCCC#N)c1cccc(OC(F)(F)F)c1	ZINC000424134269	429096350	/nfs/dbraw/zinc/09/63/50/429096350.db2.gz	HREGULRPZYIZRN-GFCCVEGCSA-N	0	3	315.295	2.569	20	30		DFEDHN
COC1([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)CCOCC1	ZINC000421859518	429040320	/nfs/dbraw/zinc/04/03/20/429040320.db2.gz	FSKOLDKEPIMQSI-OLZOCXBDSA-N	0	3	306.381	2.932	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cnccc1N)C(C)C	ZINC000422826236	429052830	/nfs/dbraw/zinc/05/28/30/429052830.db2.gz	BYLPNTJWPTYZGJ-YJBOKZPZSA-N	0	3	302.466	2.843	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCCCN2C2CC2)nc2ccccc12	ZINC000433815479	429053652	/nfs/dbraw/zinc/05/36/52/429053652.db2.gz	MYLNJAPNXZVVPA-MRXNPFEDSA-N	0	3	306.413	3.535	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000424058968	429084079	/nfs/dbraw/zinc/08/40/79/429084079.db2.gz	ATUHPRFGDZSMSM-HUUCEWRRSA-N	0	3	305.809	2.928	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccccc1OC(F)(F)F	ZINC000424059016	429084485	/nfs/dbraw/zinc/08/44/85/429084485.db2.gz	FDVARRVBUSIDNC-SECBINFHSA-N	0	3	301.268	2.545	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1	ZINC000453375827	429146503	/nfs/dbraw/zinc/14/65/03/429146503.db2.gz	XLPQKCVQWFQWJI-GFEQUFNTSA-N	0	3	317.429	2.935	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000424508455	429146631	/nfs/dbraw/zinc/14/66/31/429146631.db2.gz	MRGSRPSJFHZFTF-NXHRZFHOSA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CC(C)(C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1	ZINC000453304139	429147422	/nfs/dbraw/zinc/14/74/22/429147422.db2.gz	DYYBTBHOUCEXRV-GFCCVEGCSA-N	0	3	311.447	2.962	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000424503009	429147446	/nfs/dbraw/zinc/14/74/46/429147446.db2.gz	AXCFUINVVAMOOM-XOYOTBSWSA-N	0	3	316.445	2.775	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000453349907	429148679	/nfs/dbraw/zinc/14/86/79/429148679.db2.gz	JNSXUKINUDDLGT-CHWSQXEVSA-N	0	3	320.824	2.898	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453451578	429150623	/nfs/dbraw/zinc/15/06/23/429150623.db2.gz	KJVGKMACXUTLAD-HNNXBMFYSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453439186	429150754	/nfs/dbraw/zinc/15/07/54/429150754.db2.gz	JYWWWWVXQQONEU-OAHLLOKOSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-c2ccncc2)cc1	ZINC000424143488	429099130	/nfs/dbraw/zinc/09/91/30/429099130.db2.gz	JWSGOPDQNNDQAL-RDTXWAMCSA-N	0	3	322.412	2.947	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc(F)c1C#N	ZINC000452345686	429099837	/nfs/dbraw/zinc/09/98/37/429099837.db2.gz	RRRUJIIBFIOVBN-AWEZNQCLSA-N	0	3	317.408	2.938	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1c(C)nn(CC(C)C)c1OCC	ZINC000424167024	429103000	/nfs/dbraw/zinc/10/30/00/429103000.db2.gz	DGQXAPWXJKGYKX-RDJZCZTQSA-N	0	3	321.465	2.927	20	30		DFEDHN
Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@H](N)CCCC#N)C2)c1	ZINC000424186269	429106152	/nfs/dbraw/zinc/10/61/52/429106152.db2.gz	RMKVBDGUYIPYSZ-RDJZCZTQSA-N	0	3	321.371	2.552	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccsc1	ZINC000487193629	429141385	/nfs/dbraw/zinc/14/13/85/429141385.db2.gz	ZPQUJTVMRDNPJG-ZBFHGGJFSA-N	0	3	314.410	2.670	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000494863042	429159839	/nfs/dbraw/zinc/15/98/39/429159839.db2.gz	BAHFAONMJDSBIR-HNNXBMFYSA-N	0	3	323.481	2.626	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)s1	ZINC000487592517	429161112	/nfs/dbraw/zinc/16/11/12/429161112.db2.gz	CTPUFGWFNMYJRT-UHFFFAOYSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CCOCC1	ZINC000424590736	429161180	/nfs/dbraw/zinc/16/11/80/429161180.db2.gz	ZHCXDOGJJZPDMM-CVEARBPZSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCC1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CCOCC1	ZINC000424606088	429162078	/nfs/dbraw/zinc/16/20/78/429162078.db2.gz	JFJJPWWQBRDVKN-HZPDHXFCSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCOC(C)(C)CC)CC1	ZINC000454459637	429165833	/nfs/dbraw/zinc/16/58/33/429165833.db2.gz	HFPZNNJXXWDLOX-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=CCC1(CNC(=O)NC[C@@H]2CCCN2CCOC)CCCC1	ZINC000454528454	429166844	/nfs/dbraw/zinc/16/68/44/429166844.db2.gz	OPJFEWUHIVIZGH-INIZCTEOSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CCC1(CNC(=O)NC2CCN(CCOC)CC2)CCCC1	ZINC000454637695	429169242	/nfs/dbraw/zinc/16/92/42/429169242.db2.gz	XWZQMNGPXGFAMY-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000454712523	429171699	/nfs/dbraw/zinc/17/16/99/429171699.db2.gz	AVNFMWRKZFCDBT-CVEARBPZSA-N	0	3	301.434	2.943	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(F)c(F)c1	ZINC000454826942	429173803	/nfs/dbraw/zinc/17/38/03/429173803.db2.gz	ZQFGXRFFMZXYSV-NHYWBVRUSA-N	0	3	311.376	2.831	20	30		DFEDHN
COCCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C	ZINC000487979270	429175013	/nfs/dbraw/zinc/17/50/13/429175013.db2.gz	ZQYCWBSIRUVSNZ-WMLDXEAASA-N	0	3	315.417	2.634	20	30		DFEDHN
C[C@@H]1C[C@@H]1CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000488333515	429179041	/nfs/dbraw/zinc/17/90/41/429179041.db2.gz	NDDSWGVTSCHRIO-HUUCEWRRSA-N	0	3	306.413	2.884	20	30		DFEDHN
CCNC(=O)C1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1	ZINC000488464360	429180151	/nfs/dbraw/zinc/18/01/51/429180151.db2.gz	NCOANZBEFBJAOI-LBPRGKRZSA-N	0	3	303.381	2.654	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455658561	429193491	/nfs/dbraw/zinc/19/34/91/429193491.db2.gz	DTYSFPOKPYNLJK-HNNXBMFYSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000488927069	429206189	/nfs/dbraw/zinc/20/61/89/429206189.db2.gz	CFKONHXGRQXBLI-WMZOPIPTSA-N	0	3	323.440	2.924	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455753709	429209007	/nfs/dbraw/zinc/20/90/07/429209007.db2.gz	KNFRFAVYVTVTEJ-NSHDSACASA-N	0	3	321.812	2.603	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455781267	429210967	/nfs/dbraw/zinc/21/09/67/429210967.db2.gz	IYLUYALOPRXUHM-LBPRGKRZSA-N	0	3	321.812	2.555	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1	ZINC000495542746	429220907	/nfs/dbraw/zinc/22/09/07/429220907.db2.gz	YJVSRNRJUPTLKM-KBPBESRZSA-N	0	3	307.438	2.963	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC1CCC(C#N)CC1	ZINC000441035970	429229556	/nfs/dbraw/zinc/22/95/56/429229556.db2.gz	QDVCTDLYOYMISH-JUVOFCAFSA-N	0	3	320.481	2.736	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000441266849	429229993	/nfs/dbraw/zinc/22/99/93/429229993.db2.gz	VEQAWTMGRAOKFJ-CQDKDKBSSA-N	0	3	319.405	2.642	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCOC2)C1	ZINC000441285023	429230155	/nfs/dbraw/zinc/23/01/55/429230155.db2.gz	LOAFPYBIRSGPKZ-BBWFWOEESA-N	0	3	308.466	2.548	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC1CCC(C#N)CC1	ZINC000441035974	429230214	/nfs/dbraw/zinc/23/02/14/429230214.db2.gz	QDVCTDLYOYMISH-NJINODPHSA-N	0	3	320.481	2.736	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](OC)C[C@H]1C	ZINC000441357067	429231256	/nfs/dbraw/zinc/23/12/56/429231256.db2.gz	MYEJFJDOOLZQCQ-NXHRZFHOSA-N	0	3	319.445	2.654	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000488808307	429200372	/nfs/dbraw/zinc/20/03/72/429200372.db2.gz	YRHVPEVJSRIXQP-AEFFLSMTSA-N	0	3	309.413	2.849	20	30		DFEDHN
C[S@](=O)C1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000442822589	429237738	/nfs/dbraw/zinc/23/77/38/429237738.db2.gz	OWHCBTZOGHOXGQ-IERDGZPVSA-N	0	3	302.443	2.826	20	30		DFEDHN
N#C[C@H]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1	ZINC000442856341	429238599	/nfs/dbraw/zinc/23/85/99/429238599.db2.gz	DEBBSAYQQBONEF-FUHWJXTLSA-N	0	3	313.445	2.995	20	30		DFEDHN
N#C[C@H]1CC[C@H](NCc2cc(Cl)ccc2N2CCOCC2)C1	ZINC000442865824	429239566	/nfs/dbraw/zinc/23/95/66/429239566.db2.gz	UWXTZPYRTFYGIH-BBRMVZONSA-N	0	3	319.836	2.958	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COCc1cccc(OC)c1	ZINC000489441089	429241909	/nfs/dbraw/zinc/24/19/09/429241909.db2.gz	DAHJSYQUXMKMCP-SJORKVTESA-N	0	3	305.418	2.613	20	30		DFEDHN
C=CCOCCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000495662808	429242257	/nfs/dbraw/zinc/24/22/57/429242257.db2.gz	XACJSRBGMGZGRH-GJZGRUSLSA-N	0	3	310.438	2.520	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COc1cccc2[nH]ccc21	ZINC000489493223	429246147	/nfs/dbraw/zinc/24/61/47/429246147.db2.gz	HELRWTLOWPSMLH-HUUCEWRRSA-N	0	3	300.402	2.948	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)nc2)CC1	ZINC000425238976	429249283	/nfs/dbraw/zinc/24/92/83/429249283.db2.gz	NMGNIAKQVSVVJR-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C#CCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000495707178	429250034	/nfs/dbraw/zinc/25/00/34/429250034.db2.gz	PSFAHQPBDGIMBZ-KRWDZBQOSA-N	0	3	300.402	2.648	20	30		DFEDHN
C=C(CC)CN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495735929	429256294	/nfs/dbraw/zinc/25/62/94/429256294.db2.gz	FFWJLZBLDFMXHB-GJZGRUSLSA-N	0	3	310.438	2.663	20	30		DFEDHN
C=CCn1cccc1C(=O)N(CC(C)C)C1CCN(C)CC1	ZINC000490031750	429274159	/nfs/dbraw/zinc/27/41/59/429274159.db2.gz	JKZKKCKDCOPFAQ-UHFFFAOYSA-N	0	3	303.450	2.867	20	30		DFEDHN
COc1cc(NC(=O)CNCC(C)(C)CCC#N)cc(OC)c1	ZINC000425357233	429276245	/nfs/dbraw/zinc/27/62/45/429276245.db2.gz	ROWFCKRUFGDHST-UHFFFAOYSA-N	0	3	319.405	2.562	20	30		DFEDHN
C=CC[C@H]1N(CCn2nc3ccccn3c2=O)CCCC1(C)C	ZINC000444776659	429277135	/nfs/dbraw/zinc/27/71/35/429277135.db2.gz	PXQYRTJAARMMCU-OAHLLOKOSA-N	0	3	314.433	2.563	20	30		DFEDHN
C=CC[C@H](C)[C@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425361617	429278690	/nfs/dbraw/zinc/27/86/90/429278690.db2.gz	ZOONRABOHDEOSE-STQMWFEESA-N	0	3	306.406	2.833	20	30		DFEDHN
CC1(C)C[C@H](O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000456534133	429319257	/nfs/dbraw/zinc/31/92/57/429319257.db2.gz	IVEFHCGXXVJYJQ-IAGOWNOFSA-N	0	3	314.429	2.768	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)N2CCCC2)cc1	ZINC000448829382	429319340	/nfs/dbraw/zinc/31/93/40/429319340.db2.gz	YBYVEMPKPBQWJV-VDZJLULYSA-N	0	3	311.429	2.798	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2c(C)oc3ccccc32)CC1	ZINC000491068166	429322015	/nfs/dbraw/zinc/32/20/15/429322015.db2.gz	MVSDRBKNBAKWEN-UHFFFAOYSA-N	0	3	310.397	2.703	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000448982438	429322121	/nfs/dbraw/zinc/32/21/21/429322121.db2.gz	KKNSNELVFDCGPX-DNVCBOLYSA-N	0	3	311.429	2.659	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl	ZINC000491265932	429340867	/nfs/dbraw/zinc/34/08/67/429340867.db2.gz	NGBVXZNMOVHYGA-CABCVRRESA-N	0	3	304.821	2.515	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000456740289	429344163	/nfs/dbraw/zinc/34/41/63/429344163.db2.gz	VKWMBXVVDPSAKO-ROUUACIJSA-N	0	3	320.392	2.879	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000491307592	429345227	/nfs/dbraw/zinc/34/52/27/429345227.db2.gz	QXAQLIQTPKOABE-RDJZCZTQSA-N	0	3	301.434	2.733	20	30		DFEDHN
C[C@H]1CN(C)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000447044628	429301181	/nfs/dbraw/zinc/30/11/81/429301181.db2.gz	NHTAJZQXARWHSM-ZDUSSCGKSA-N	0	3	312.335	2.573	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000425471047	429303615	/nfs/dbraw/zinc/30/36/15/429303615.db2.gz	VBZKFWVFIHRAEA-CPUCHLNUSA-N	0	3	314.433	2.743	20	30		DFEDHN
CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000425487789	429306485	/nfs/dbraw/zinc/30/64/85/429306485.db2.gz	WBRRAXNVQMAJDQ-HNNXBMFYSA-N	0	3	323.387	2.932	20	30		DFEDHN
CCN1CCC(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425491398	429309548	/nfs/dbraw/zinc/30/95/48/429309548.db2.gz	MBONDGHMAYJTJU-CQSZACIVSA-N	0	3	314.433	2.745	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC1	ZINC000490923900	429313743	/nfs/dbraw/zinc/31/37/43/429313743.db2.gz	NASOYBQJIIJLHV-UHFFFAOYSA-N	0	3	307.397	2.965	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCCC[C@H]2C)cc1	ZINC000448708566	429316669	/nfs/dbraw/zinc/31/66/69/429316669.db2.gz	NTDICHDDFZRQGG-MRXNPFEDSA-N	0	3	316.445	2.785	20	30		DFEDHN
C#C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(Cl)cc1	ZINC000491697017	429392125	/nfs/dbraw/zinc/39/21/25/429392125.db2.gz	QOLLBINBFPDMFG-MRXNPFEDSA-N	0	3	317.820	2.504	20	30		DFEDHN
C#CCNC(=O)CCN(CCC(F)(F)F)Cc1ccccc1	ZINC000491696578	429392590	/nfs/dbraw/zinc/39/25/90/429392590.db2.gz	QDRVWQXYZODGOD-UHFFFAOYSA-N	0	3	312.335	2.581	20	30		DFEDHN
C#CCN(C[C@H](O)c1ccc(F)cn1)[C@H]1CCc2ccccc21	ZINC000491697430	429392718	/nfs/dbraw/zinc/39/27/18/429392718.db2.gz	KPWVROHGQBVQCB-OALUTQOASA-N	0	3	310.372	2.877	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@@H]1CCN(CC)C1)c1ccc(Cl)cc1F	ZINC000491703715	429393592	/nfs/dbraw/zinc/39/35/92/429393592.db2.gz	JWHUCLLEGMVHMX-DOMZBBRYSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000491752247	429402957	/nfs/dbraw/zinc/40/29/57/429402957.db2.gz	LWRHINHKRMXRHN-BQFCYCMXSA-N	0	3	313.445	2.560	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000449175515	429350638	/nfs/dbraw/zinc/35/06/38/429350638.db2.gz	OKNXTDMOMIXPBP-CABCVRRESA-N	0	3	304.438	2.640	20	30		DFEDHN
N#Cc1cccc(CCNCc2cnnn2Cc2ccccc2)c1	ZINC000491377383	429352841	/nfs/dbraw/zinc/35/28/41/429352841.db2.gz	XKQXGJNJGKHACF-UHFFFAOYSA-N	0	3	317.396	2.530	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](CO)[C@H]2C)ccc1OC	ZINC000425962958	429354410	/nfs/dbraw/zinc/35/44/10/429354410.db2.gz	JYGLTWLTDGGATK-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1	ZINC000491407879	429358260	/nfs/dbraw/zinc/35/82/60/429358260.db2.gz	WVXGDXRMRUNGSK-OCCSQVGLSA-N	0	3	323.437	2.736	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CSc1ccc(Cl)cc1	ZINC000491463653	429362772	/nfs/dbraw/zinc/36/27/72/429362772.db2.gz	NXNZICLXMGSHRE-UHFFFAOYSA-N	0	3	310.850	2.503	20	30		DFEDHN
C#C[C@@H](C)N(C)C[C@H](O)COc1c(Cl)cccc1Cl	ZINC000491538374	429371946	/nfs/dbraw/zinc/37/19/46/429371946.db2.gz	YOMJRXKZSHTWDN-MNOVXSKESA-N	0	3	302.201	2.687	20	30		DFEDHN
CO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000514911407	429373035	/nfs/dbraw/zinc/37/30/35/429373035.db2.gz	OFOIZPZWSFEDGV-HZPDHXFCSA-N	0	3	310.401	2.595	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(C#N)CC2)cc1	ZINC000515005077	429373072	/nfs/dbraw/zinc/37/30/72/429373072.db2.gz	WSUATRVKGJENEW-KRWDZBQOSA-N	0	3	314.433	2.755	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2cc(C)ccc2OC)CC1	ZINC000491548498	429373912	/nfs/dbraw/zinc/37/39/12/429373912.db2.gz	SPGDIMFQHYMUJK-VURMDHGXSA-N	0	3	314.429	2.783	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21	ZINC000515605933	429377108	/nfs/dbraw/zinc/37/71/08/429377108.db2.gz	KRHROQISJHQLEQ-KSZLIROESA-N	0	3	324.424	2.786	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000515817452	429378928	/nfs/dbraw/zinc/37/89/28/429378928.db2.gz	TZQYCEAQCGXJJY-SWLSCSKDSA-N	0	3	317.820	2.910	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000491637240	429383175	/nfs/dbraw/zinc/38/31/75/429383175.db2.gz	WVRAOLIWPHETIF-JKSUJKDBSA-N	0	3	304.821	2.515	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1CCC(C#N)CC1	ZINC000516948986	429384585	/nfs/dbraw/zinc/38/45/85/429384585.db2.gz	HFLNEPBPFFAYGG-GPANFISMSA-N	0	3	320.481	2.736	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000491671568	429389426	/nfs/dbraw/zinc/38/94/26/429389426.db2.gz	XDASDSBDTYJZAI-KBPBESRZSA-N	0	3	305.447	2.548	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCC(C)(C)CC#N)c1ccccc1	ZINC000457430044	429463552	/nfs/dbraw/zinc/46/35/52/429463552.db2.gz	ZDTYGAOEZQZYHN-HNNXBMFYSA-N	0	3	302.422	2.528	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1	ZINC000457456242	429468131	/nfs/dbraw/zinc/46/81/31/429468131.db2.gz	BCKLEJZFUFCGHI-QBPKDAKJSA-N	0	3	308.466	2.594	20	30		DFEDHN
Cc1cc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)ncc1C#N	ZINC000457465573	429469943	/nfs/dbraw/zinc/46/99/43/429469943.db2.gz	LHKHOGQPPKQYLA-CYBMUJFWSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN(C)Cc1ccccc1	ZINC000457468143	429469995	/nfs/dbraw/zinc/46/99/95/429469995.db2.gz	MYZNQDUJHYPSJD-QZTJIDSGSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1cscn1)C(C)C	ZINC000491840906	429418588	/nfs/dbraw/zinc/41/85/88/429418588.db2.gz	CPJCFABJXVSUTJ-WAVCKPEOSA-N	0	3	319.474	2.971	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CCC)[C@@H](CC)c1ccccc1	ZINC000519907449	429498274	/nfs/dbraw/zinc/49/82/74/429498274.db2.gz	ZDCLKZZQWUOKTF-INIZCTEOSA-N	0	3	317.433	2.862	20	30		DFEDHN
COc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1OCCCC#N	ZINC000449767021	429503510	/nfs/dbraw/zinc/50/35/10/429503510.db2.gz	PMAPNLOGHKFUHL-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCc1cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc(OC)c1O	ZINC000449781362	429507364	/nfs/dbraw/zinc/50/73/64/429507364.db2.gz	ICEDSDZENBIYLR-CVEARBPZSA-N	0	3	317.429	2.986	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1ccc2c(n1)CCC2=O)C(C)C	ZINC000520643333	429523045	/nfs/dbraw/zinc/52/30/45/429523045.db2.gz	CQQLLMRIGKRCJE-QGZVFWFLSA-N	0	3	313.445	3.321	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1	ZINC000492619668	429579328	/nfs/dbraw/zinc/57/93/28/429579328.db2.gz	QUUYRAJHHDNXCV-ONEGZZNKSA-N	0	3	324.346	2.884	20	30		DFEDHN
COc1cc(CN[C@@H]2COc3c(cccc3OC)C2)ccc1C#N	ZINC000366921093	429540627	/nfs/dbraw/zinc/54/06/27/429540627.db2.gz	JLZVPTWSKCTKDU-INIZCTEOSA-N	0	3	324.380	2.669	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CC1	ZINC000458339691	429623003	/nfs/dbraw/zinc/62/30/03/429623003.db2.gz	TWQRDKVYRKOEMY-IRXDYDNUSA-N	0	3	307.482	2.959	20	30		DFEDHN
N#Cc1cccc(CN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1	ZINC000367396541	429640127	/nfs/dbraw/zinc/64/01/27/429640127.db2.gz	LBIWDPJTKKWSEV-SFHVURJKSA-N	0	3	323.440	2.783	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1	ZINC000450539276	429643921	/nfs/dbraw/zinc/64/39/21/429643921.db2.gz	JLAHPFRYJICNSX-DVOMOZLQSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc(F)c(F)c2)CC1	ZINC000492920215	429645257	/nfs/dbraw/zinc/64/52/57/429645257.db2.gz	HQRRZHUCZUYOGL-GQCTYLIASA-N	0	3	306.356	2.745	20	30		DFEDHN
COCCN(CCc1cscn1)Cc1ccc(C#N)cc1	ZINC000450311716	429595561	/nfs/dbraw/zinc/59/55/61/429595561.db2.gz	DWXOEEZLTJXPFT-UHFFFAOYSA-N	0	3	301.415	2.706	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000450349005	429607187	/nfs/dbraw/zinc/60/71/87/429607187.db2.gz	MZEVVMCKYPGKJK-UHFFFAOYSA-N	0	3	324.428	2.835	20	30		DFEDHN
Cc1cc(NC(=O)c2cccc(C#N)c2)n(C2CCN(C)CC2)n1	ZINC000430448693	429684276	/nfs/dbraw/zinc/68/42/76/429684276.db2.gz	LUYQMOYLELNPLW-UHFFFAOYSA-N	0	3	323.400	2.582	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCN1CCc1ccccc1	ZINC000367686611	429700037	/nfs/dbraw/zinc/70/00/37/429700037.db2.gz	JFHFOJZPMHKLIA-HKUYNNGSSA-N	0	3	313.445	2.750	20	30		DFEDHN
COc1ccc([C@@H](CO)CNCc2ccc(C#N)cc2F)cc1	ZINC000459729083	429702402	/nfs/dbraw/zinc/70/24/02/429702402.db2.gz	GGFJNFOFJXVDSB-MRXNPFEDSA-N	0	3	314.360	2.572	20	30		DFEDHN
CC(C)C[C@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1	ZINC000450991741	429746214	/nfs/dbraw/zinc/74/62/14/429746214.db2.gz	XFKQFCFMDUPVFP-IAGOWNOFSA-N	0	3	302.418	2.624	20	30		DFEDHN
CCCC[C@H](CC)CN1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472161481	429714986	/nfs/dbraw/zinc/71/49/86/429714986.db2.gz	LVYLWITWAKJTSV-INIZCTEOSA-N	0	3	317.481	2.939	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CN1CCC(C)CC1)C(C)C	ZINC000475044456	429716542	/nfs/dbraw/zinc/71/65/42/429716542.db2.gz	AYIFIXNEZDIZJX-GOSISDBHSA-N	0	3	321.509	2.533	20	30		DFEDHN
CC#CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000483056784	429730309	/nfs/dbraw/zinc/73/03/09/429730309.db2.gz	WPLRSAYKTMQIQW-OAHLLOKOSA-N	0	3	301.434	2.828	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)n1C)N(C)C	ZINC000451272876	429801849	/nfs/dbraw/zinc/80/18/49/429801849.db2.gz	VIHGMFLOOKBHHX-KDOFPFPSSA-N	0	3	324.428	2.626	20	30		DFEDHN
Cc1cc(CNC[C@@H]2c3ccccc3C(=O)N2C)ccc1C#N	ZINC000527808438	429802580	/nfs/dbraw/zinc/80/25/80/429802580.db2.gz	NNCFKVNSJMDUNR-GOSISDBHSA-N	0	3	305.381	2.783	20	30		DFEDHN
C[C@@H](CNC(=O)/C=C\c1cn(CCC#N)c2ccccc12)N(C)C	ZINC000493377708	429750231	/nfs/dbraw/zinc/75/02/31/429750231.db2.gz	CBHQNNZUUOXKFD-KVPUOBJLSA-N	0	3	324.428	2.634	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1	ZINC000451108251	429769420	/nfs/dbraw/zinc/76/94/20/429769420.db2.gz	AGXKEPLBSSJQRB-QWHCGFSZSA-N	0	3	315.417	2.615	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1ncc(Br)cc1F	ZINC000527719531	429784887	/nfs/dbraw/zinc/78/48/87/429784887.db2.gz	HHFHRYJFFCSZRG-ZANVPECISA-N	0	3	315.186	2.664	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2cccnc2C#N)CC1	ZINC000368110702	429790743	/nfs/dbraw/zinc/79/07/43/429790743.db2.gz	UXBAIBGSVBCSMQ-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CC3(C2)CCCCC3)cc1	ZINC000368286574	429823894	/nfs/dbraw/zinc/82/38/94/429823894.db2.gz	VAPFAADRYIWKIS-KRWDZBQOSA-N	0	3	314.429	2.758	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C	ZINC000451492755	429836460	/nfs/dbraw/zinc/83/64/60/429836460.db2.gz	GDUHIBLSLLSQKL-JKSUJKDBSA-N	0	3	315.417	2.678	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000451521484	429840737	/nfs/dbraw/zinc/84/07/37/429840737.db2.gz	ZPELJYCFIOEIQB-JQHSSLGASA-N	0	3	314.429	2.911	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CCC[C@H](C#N)C2)[C@H]1c1ccc(F)cc1	ZINC000368389525	429841192	/nfs/dbraw/zinc/84/11/92/429841192.db2.gz	ISFQPGFAWHSKTL-OBZJAWTPSA-N	0	3	315.392	2.769	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1ccc(F)cc1	ZINC000368389521	429841200	/nfs/dbraw/zinc/84/12/00/429841200.db2.gz	ISFQPGFAWHSKTL-ANRZDRKOSA-N	0	3	315.392	2.769	20	30		DFEDHN
CC(C)[C@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000528128508	429851429	/nfs/dbraw/zinc/85/14/29/429851429.db2.gz	VQPAUXQYBIKOKL-GOSISDBHSA-N	0	3	323.444	2.639	20	30		DFEDHN
N#CCCOCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451551695	429852150	/nfs/dbraw/zinc/85/21/50/429852150.db2.gz	UPFMWEKVRBUYHU-HNNXBMFYSA-N	0	3	303.362	2.704	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1	ZINC000451595094	429859771	/nfs/dbraw/zinc/85/97/71/429859771.db2.gz	CEOPEYYIGZPQLW-OWLYRPNTSA-N	0	3	316.445	2.966	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000451608632	429861272	/nfs/dbraw/zinc/86/12/72/429861272.db2.gz	OMUQSYHFSQYTSS-KFWWJZLASA-N	0	3	324.783	2.518	20	30		DFEDHN
Cc1cnn([C@H]2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1	ZINC000368213811	429809341	/nfs/dbraw/zinc/80/93/41/429809341.db2.gz	CPICATOBVISABU-RDJZCZTQSA-N	0	3	310.401	2.929	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(OC3CCCCC3)CC2)CC1	ZINC000528363294	429879093	/nfs/dbraw/zinc/87/90/93/429879093.db2.gz	DFTAJIUTAHXKND-OAHLLOKOSA-N	0	3	306.450	2.855	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)[C@H]1c1ccccc1	ZINC000528399401	429885000	/nfs/dbraw/zinc/88/50/00/429885000.db2.gz	WTTWYOUHJQSICD-MOXGXCLJSA-N	0	3	322.408	2.991	20	30		DFEDHN
C[C@]12CCN(C[C@H](O)CC3(C#N)CC3)C[C@H]1C2(Cl)Cl	ZINC000528496049	429893424	/nfs/dbraw/zinc/89/34/24/429893424.db2.gz	GIOZLYYJBZOFBS-UTUOFQBUSA-N	0	3	303.233	2.557	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1	ZINC000528512493	429895582	/nfs/dbraw/zinc/89/55/82/429895582.db2.gz	LVNFPGHWVQTXCP-HOCLYGCPSA-N	0	3	320.820	2.848	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000368806345	429896127	/nfs/dbraw/zinc/89/61/27/429896127.db2.gz	QXOZVQGHBJRODJ-AWEZNQCLSA-N	0	3	322.474	2.810	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O	ZINC000528523605	429897349	/nfs/dbraw/zinc/89/73/49/429897349.db2.gz	UZUNDBVBEMQFGY-IPYPFGDCSA-N	0	3	324.783	2.518	20	30		DFEDHN
Cc1noc(C)c1CO[C@@H]1CCN(CCCSCC#N)C1	ZINC000368848783	429898805	/nfs/dbraw/zinc/89/88/05/429898805.db2.gz	ZRQZHIOHQHDJKE-CQSZACIVSA-N	0	3	309.435	2.529	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1	ZINC000368934488	429902848	/nfs/dbraw/zinc/90/28/48/429902848.db2.gz	ZKZRUEIEBCDOLZ-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
Cn1cc(CN2CCC(COc3ccccn3)CC2)cc1C#N	ZINC000368982021	429905360	/nfs/dbraw/zinc/90/53/60/429905360.db2.gz	BYHXHJOMRVUOAK-UHFFFAOYSA-N	0	3	310.401	2.583	20	30		DFEDHN
COC1(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCOCC1	ZINC000369020300	429908176	/nfs/dbraw/zinc/90/81/76/429908176.db2.gz	WIPPXZFEWJMKNY-MSOLQXFVSA-N	0	3	314.429	2.954	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(C#N)c1C	ZINC000528770810	429914672	/nfs/dbraw/zinc/91/46/72/429914672.db2.gz	ZQZCLQZSIJWQAZ-IGRCHAIXSA-N	0	3	321.446	2.577	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1CCCN1CCCC1(C#N)CCOCC1	ZINC000369198784	429918518	/nfs/dbraw/zinc/91/85/18/429918518.db2.gz	QBQDRTGWSPTZGA-KRWDZBQOSA-N	0	3	316.449	2.966	20	30		DFEDHN
N#CC1(c2ccccn2)CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1	ZINC000369205979	429919562	/nfs/dbraw/zinc/91/95/62/429919562.db2.gz	LEZANFUNORVKOG-IEBWSBKVSA-N	0	3	319.408	2.597	20	30		DFEDHN
COc1ccc([C@H](NC[C@@H](O)c2ccc(C#N)cc2)C2CC2)cn1	ZINC000528844080	429919829	/nfs/dbraw/zinc/91/98/29/429919829.db2.gz	AEINIGSQTWAXMT-IEBWSBKVSA-N	0	3	323.396	2.736	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000451690263	429871227	/nfs/dbraw/zinc/87/12/27/429871227.db2.gz	NTXPDEGXEKILTN-VKJFTORMSA-N	0	3	301.434	2.546	20	30		DFEDHN
CCCCOC[C@@H](O)CN[C@H]1CCCc2cc(C#N)ccc21	ZINC000573199828	429932788	/nfs/dbraw/zinc/93/27/88/429932788.db2.gz	IBMSUGWSPAZZJK-WMZOPIPTSA-N	0	3	302.418	2.703	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN1CC[C@H](N(C)C)C1	ZINC000639799187	429986233	/nfs/dbraw/zinc/98/62/33/429986233.db2.gz	BIFUDJQYMFXQSX-AWEZNQCLSA-N	0	3	319.474	2.539	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2ccncn2)C1)c1ccc(C#N)s1	ZINC000369444383	429944643	/nfs/dbraw/zinc/94/46/43/429944643.db2.gz	UNTOBZLYZFJTJV-CHWSQXEVSA-N	0	3	313.430	2.729	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000369450720	429946341	/nfs/dbraw/zinc/94/63/41/429946341.db2.gz	FXPAOCKVPWGVAB-MSOLQXFVSA-N	0	3	323.440	2.941	20	30		DFEDHN
C[C@@H]1[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)[C@H]1C1CC1	ZINC000528995722	429946457	/nfs/dbraw/zinc/94/64/57/429946457.db2.gz	JLNWBYPJJFANGE-DXEWXGHRSA-N	0	3	310.397	2.646	20	30		DFEDHN
C[C@@H]1[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)[C@H]1C1CC1	ZINC000528995726	429946504	/nfs/dbraw/zinc/94/65/04/429946504.db2.gz	JLNWBYPJJFANGE-SJWGOKEGSA-N	0	3	310.397	2.646	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1(C#N)CC1)N(C)C	ZINC000574355919	430036040	/nfs/dbraw/zinc/03/60/40/430036040.db2.gz	QSPACBNFLVCIIF-HOCLYGCPSA-N	0	3	314.433	2.589	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000634457150	430008492	/nfs/dbraw/zinc/00/84/92/430008492.db2.gz	SJFLMUFEGIBZPR-GOSISDBHSA-N	0	3	316.445	2.668	20	30		DFEDHN
N#C[C@@]1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC12CCCC2	ZINC000574245062	430023407	/nfs/dbraw/zinc/02/34/07/430023407.db2.gz	MZNGGSBXUCOCFJ-KBXCAEBGSA-N	0	3	301.434	2.594	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)NC[C@H]2CCN2C2CCCC2)c(F)c1	ZINC000530023718	430096028	/nfs/dbraw/zinc/09/60/28/430096028.db2.gz	RCIAELPRTVOPRA-CYBMUJFWSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@H]2CCN2C2CCCC2)CC12CCCC2	ZINC000530022073	430096222	/nfs/dbraw/zinc/09/62/22/430096222.db2.gz	HUDQHLHKFAVNFL-CRAIPNDOSA-N	0	3	301.434	2.594	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@@H]2CCN2C2CCCC2)CC12CCCC2	ZINC000530022074	430096318	/nfs/dbraw/zinc/09/63/18/430096318.db2.gz	HUDQHLHKFAVNFL-MAUKXSAKSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC(C)[C@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F	ZINC000562078726	430108821	/nfs/dbraw/zinc/10/88/21/430108821.db2.gz	UUNHKYDHRRZVGU-ZDUSSCGKSA-N	0	3	300.324	2.931	20	30		DFEDHN
N#CC1(CNC2CCN(CCc3ccc(F)cc3)CC2)CC1	ZINC000577043027	430110045	/nfs/dbraw/zinc/11/00/45/430110045.db2.gz	VOAAKMFODWUFAM-UHFFFAOYSA-N	0	3	301.409	2.726	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cccc1CC	ZINC000574898866	430053105	/nfs/dbraw/zinc/05/31/05/430053105.db2.gz	HIQCPKRXYASQKP-CVEARBPZSA-N	0	3	302.418	2.819	20	30		DFEDHN
CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000560746967	430064160	/nfs/dbraw/zinc/06/41/60/430064160.db2.gz	FKBKWYCTTXWPRU-FGTMMUONSA-N	0	3	311.429	2.604	20	30		DFEDHN
O[C@H]1C[C@@H](C2CC2)N(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000640047888	430072339	/nfs/dbraw/zinc/07/23/39/430072339.db2.gz	XPDUSBROYJEOOK-HOTGVXAUSA-N	0	3	309.331	2.902	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(F)c(Br)cc1F	ZINC000529878447	430080874	/nfs/dbraw/zinc/08/08/74/430080874.db2.gz	WLYSUHJVPBZRAQ-LURJTMIESA-N	0	3	303.106	2.503	20	30		DFEDHN
CCC[C@@]1(NC(=O)C(C#N)CCc2ccccc2)CCOC1	ZINC000561242801	430082586	/nfs/dbraw/zinc/08/25/86/430082586.db2.gz	QSLJNIHLMQFFFS-FUHWJXTLSA-N	0	3	300.402	2.834	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000538097605	430172815	/nfs/dbraw/zinc/17/28/15/430172815.db2.gz	MBPAEZRFVPRYKJ-AWEZNQCLSA-N	0	3	304.394	2.857	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000562569608	430149161	/nfs/dbraw/zinc/14/91/61/430149161.db2.gz	ZDNCNUPUBDMIEG-JLZZUVOBSA-N	0	3	315.417	2.965	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)CC(C)(C)OC	ZINC000531829743	430149534	/nfs/dbraw/zinc/14/95/34/430149534.db2.gz	SWLAANOMWGCPBM-MRXNPFEDSA-N	0	3	307.434	2.512	20	30		DFEDHN
C[C@H](O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000541890697	430194901	/nfs/dbraw/zinc/19/49/01/430194901.db2.gz	ZZOBLQFPODBVFN-WMLDXEAASA-N	0	3	324.428	2.552	20	30		DFEDHN
COc1cccc(N2CC[C@H](CNC[C@H](C#N)CCC#N)C2)c1	ZINC000565358299	430207781	/nfs/dbraw/zinc/20/77/81/430207781.db2.gz	QYWVWWRQLHFXPO-JKSUJKDBSA-N	0	3	312.417	2.555	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543455923	430249034	/nfs/dbraw/zinc/24/90/34/430249034.db2.gz	IXTRJYQXSCUQMR-XJKSGUPXSA-N	0	3	317.820	2.768	20	30		DFEDHN
CN(C)[C@H](CC(=O)Nc1cc(CC#N)ccn1)c1ccccc1	ZINC000566785984	430273428	/nfs/dbraw/zinc/27/34/28/430273428.db2.gz	QVKKCCINOFSDMM-MRXNPFEDSA-N	0	3	308.385	2.779	20	30		DFEDHN
CC#CCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000566935835	430274127	/nfs/dbraw/zinc/27/41/27/430274127.db2.gz	ADRPDLZXXLRNLW-KRWDZBQOSA-N	0	3	312.457	2.811	20	30		DFEDHN
CC(C)[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Cl	ZINC000567377875	430284303	/nfs/dbraw/zinc/28/43/03/430284303.db2.gz	GUVMNQGFUVOXHU-RHSMWYFYSA-N	0	3	323.868	2.833	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1cccc(Cl)c1Cl	ZINC000568381157	430352374	/nfs/dbraw/zinc/35/23/74/430352374.db2.gz	CNOLPRRMJZOUON-LLVKDONJSA-N	0	3	300.189	2.631	20	30		DFEDHN
C=CCC[C@H](NC(=O)[C@H]1CN2CCC[C@H]2CO1)c1ccccc1	ZINC000635717436	430357412	/nfs/dbraw/zinc/35/74/12/430357412.db2.gz	OKUXDHCKDMEETM-OKZBNKHCSA-N	0	3	314.429	2.673	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H](OC)C1CCOCC1	ZINC000638616527	430390571	/nfs/dbraw/zinc/39/05/71/430390571.db2.gz	MPBXYEVTRUSILR-GOSISDBHSA-N	0	3	305.418	2.783	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1	ZINC000641768742	430467690	/nfs/dbraw/zinc/46/76/90/430467690.db2.gz	GYJQKEADTKTCHY-ZDUSSCGKSA-N	0	3	311.809	2.611	20	30		DFEDHN
N#Cc1nc(NC[C@@H]2CCCCN2C2CC2)ccc1C(F)(F)F	ZINC000548759667	430498716	/nfs/dbraw/zinc/49/87/16/430498716.db2.gz	RJXGSEDSEWONMV-LBPRGKRZSA-N	0	3	324.350	3.401	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@@H](C)C1	ZINC000548826017	430504002	/nfs/dbraw/zinc/50/40/02/430504002.db2.gz	QFIYPQDOXWDCOG-MRXNPFEDSA-N	0	3	313.445	2.885	20	30		DFEDHN
CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)Cc1ccccc1	ZINC000596054142	430505054	/nfs/dbraw/zinc/50/50/54/430505054.db2.gz	JFOTVKRPMCCIJY-LBPRGKRZSA-N	0	3	320.849	3.253	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(C(F)F)CCCC2)CC1	ZINC000642268417	430507893	/nfs/dbraw/zinc/50/78/93/430507893.db2.gz	ADIWMFYUCMWBAT-UHFFFAOYSA-N	0	3	301.381	2.514	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(C)(C)n1cncn1	ZINC000639162049	430549558	/nfs/dbraw/zinc/54/95/58/430549558.db2.gz	OXLNLIOXLSTLKS-AWEZNQCLSA-N	0	3	318.421	2.565	20	30		DFEDHN
N#CCC1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1	ZINC000570594007	430558915	/nfs/dbraw/zinc/55/89/15/430558915.db2.gz	SENHWIRLSLHBQS-KRWDZBQOSA-N	0	3	303.450	2.936	20	30		DFEDHN
CN(CCCN(C)C(=O)c1cccc(C#N)c1)Cc1ccncc1	ZINC000552112548	430584908	/nfs/dbraw/zinc/58/49/08/430584908.db2.gz	IRBNBVLAXJZYIS-UHFFFAOYSA-N	0	3	322.412	2.547	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1ncc(C#N)cc1C	ZINC000552140184	430587513	/nfs/dbraw/zinc/58/75/13/430587513.db2.gz	UCPOXYRWVNDVCH-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
Cc1ccccc1[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C1	ZINC000570964316	430592700	/nfs/dbraw/zinc/59/27/00/430592700.db2.gz	KEQFQFUREQHPLQ-JCNLHEQBSA-N	0	3	317.396	2.945	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(C(C)C)nc2C)CC1	ZINC000571894055	430659385	/nfs/dbraw/zinc/65/93/85/430659385.db2.gz	UCEIXJFLSLXHRK-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC(C)COC[C@H](O)CN[C@H]1CCCc2cc(C#N)ccc21	ZINC000552969728	430605134	/nfs/dbraw/zinc/60/51/34/430605134.db2.gz	WROSIDKVJUGHFR-AEFFLSMTSA-N	0	3	302.418	2.559	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)[C@H](C)C#N)N(CC)CC)cc1	ZINC000554219504	430630668	/nfs/dbraw/zinc/63/06/68/430630668.db2.gz	VPCQAWOSKZGSMI-PBHICJAKSA-N	0	3	301.434	2.908	20	30		DFEDHN
CO[C@@](C)([C@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1	ZINC000572164907	430674995	/nfs/dbraw/zinc/67/49/95/430674995.db2.gz	DCVPWVYYZVTKHC-ZBEGNZNMSA-N	0	3	303.362	2.760	20	30		DFEDHN
C=C(C)[C@H](NC[C@H]1CCc2ncnn21)c1ccc(F)c(F)c1	ZINC000639594114	430678635	/nfs/dbraw/zinc/67/86/35/430678635.db2.gz	NJAHCQSVPBNCQB-WBMJQRKESA-N	0	3	304.344	2.951	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000556268185	430682172	/nfs/dbraw/zinc/68/21/72/430682172.db2.gz	ASNHPSSDDGIOMW-RNJTYBCJSA-N	0	3	310.401	2.824	20	30		DFEDHN
COc1ccccc1OC[C@@H](C)CNC[C@H](C#N)CCC#N	ZINC000572386290	430685733	/nfs/dbraw/zinc/68/57/33/430685733.db2.gz	CGRXSVGRCHQQEE-GJZGRUSLSA-N	0	3	301.390	2.743	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-c3ccccn3)nc2)CC1	ZINC000651273602	430754121	/nfs/dbraw/zinc/75/41/21/430754121.db2.gz	RYDNOVDYJLPSON-UHFFFAOYSA-N	0	3	322.412	2.524	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2CCC(C(C)(C)O)CC2)CC1	ZINC000651273668	430754933	/nfs/dbraw/zinc/75/49/33/430754933.db2.gz	VDSDXEWQDNQIKX-UHFFFAOYSA-N	0	3	322.493	2.720	20	30		DFEDHN
C=CCOCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000664866899	430766371	/nfs/dbraw/zinc/76/63/71/430766371.db2.gz	QQBQOCGQWXWGOV-WBVHZDCISA-N	0	3	319.449	2.570	20	30		DFEDHN
C[C@H](O)[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000661768832	430835757	/nfs/dbraw/zinc/83/57/57/430835757.db2.gz	YTERVCCWKNIELN-SWLSCSKDSA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCC1(NCc2nc(-c3cc(OC)ncn3)no2)CCCC1	ZINC000661851554	430864706	/nfs/dbraw/zinc/86/47/06/430864706.db2.gz	WUQIONLQHQVNPG-UHFFFAOYSA-N	0	3	315.377	2.514	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)c(OC)cc1OC	ZINC000651792979	430877472	/nfs/dbraw/zinc/87/74/72/430877472.db2.gz	RHMBEYKYDFSKNH-PXAZEXFGSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCOCCN1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000645089328	430898908	/nfs/dbraw/zinc/89/89/08/430898908.db2.gz	BFMCVGFWTGMRGI-OAHLLOKOSA-N	0	3	307.438	2.507	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(CCC)C1	ZINC000661953743	430904278	/nfs/dbraw/zinc/90/42/78/430904278.db2.gz	FSMZXCDXHCBBGX-CQSZACIVSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21	ZINC000665389724	430918783	/nfs/dbraw/zinc/91/87/83/430918783.db2.gz	OGJZCHJWQXOWST-NCOADZHNSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1	ZINC000665391538	430919165	/nfs/dbraw/zinc/91/91/65/430919165.db2.gz	CLJURWMPAMLZEY-IXDOHACOSA-N	0	3	303.450	2.777	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1	ZINC000665391539	430919568	/nfs/dbraw/zinc/91/95/68/430919568.db2.gz	CLJURWMPAMLZEY-ZACQAIPSSA-N	0	3	303.450	2.777	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000665392391	430920939	/nfs/dbraw/zinc/92/09/39/430920939.db2.gz	ZFNOPKIDZYFWQZ-WCXIOVBPSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCc1cc(CN2CCC([C@@H](C)CO)CC2)cc(OC)c1O	ZINC000651956635	430926833	/nfs/dbraw/zinc/92/68/33/430926833.db2.gz	BOEKDHYBERCKRM-AWEZNQCLSA-N	0	3	319.445	2.970	20	30		DFEDHN
C=CCC1(NC(=O)Nc2cc(C)cc(CN)c2)CCOCC1	ZINC000659025722	430944648	/nfs/dbraw/zinc/94/46/48/430944648.db2.gz	VGRQZDSMNVSURK-UHFFFAOYSA-N	0	3	303.406	2.701	20	30		DFEDHN
C=CCC1(C(=O)N2CCOC3(CCN(C)CC3)C2)CCCCC1	ZINC000649129245	431008845	/nfs/dbraw/zinc/00/88/45/431008845.db2.gz	QUDGQSPSMVFPBG-UHFFFAOYSA-N	0	3	320.477	2.836	20	30		DFEDHN
C=CCCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1	ZINC000659337241	431029970	/nfs/dbraw/zinc/02/99/70/431029970.db2.gz	GSQGJZOKZQHSGW-IBGZPJMESA-N	0	3	324.424	2.828	20	30		DFEDHN
C=CCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1	ZINC000652368141	431035117	/nfs/dbraw/zinc/03/51/17/431035117.db2.gz	ZTHQWODQHPPJFI-INIZCTEOSA-N	0	3	305.466	2.906	20	30		DFEDHN
CC#CCN1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1	ZINC000662377542	431063892	/nfs/dbraw/zinc/06/38/92/431063892.db2.gz	NZPROOHHSYCLQL-UHFFFAOYSA-N	0	3	317.433	2.763	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@H](C3CCC3)C2)CC1	ZINC000665713044	431013447	/nfs/dbraw/zinc/01/34/47/431013447.db2.gz	PDGASQQAQZFVBS-INIZCTEOSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000645483434	431013811	/nfs/dbraw/zinc/01/38/11/431013811.db2.gz	HYGFWEDDSXNNLX-IJLUTSLNSA-N	0	3	306.372	2.976	20	30		DFEDHN
C=CCC1(NC(=O)NCCCNCc2cccnc2)CCCC1	ZINC000659513852	431075415	/nfs/dbraw/zinc/07/54/15/431075415.db2.gz	KZECOJDQAZFGFG-UHFFFAOYSA-N	0	3	316.449	2.749	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(OCc2ccccc2OC)CC1	ZINC000649406671	431091270	/nfs/dbraw/zinc/09/12/70/431091270.db2.gz	JLYKSRBQSHDULT-KRWDZBQOSA-N	0	3	305.418	2.613	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC2(C[C@H]1C)CCOCC2	ZINC000646100794	431183803	/nfs/dbraw/zinc/18/38/03/431183803.db2.gz	OWMAUYOEANSNQO-CVEARBPZSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=C[C@](C)(O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1	ZINC000666985739	431434130	/nfs/dbraw/zinc/43/41/30/431434130.db2.gz	LDXCXMMSRJYTSV-MJGOQNOKSA-N	0	3	316.445	2.513	20	30		DFEDHN
CC(=O)c1ccccc1NC(=O)CCCN[C@H]1CCC[C@@H]1C#N	ZINC000653669895	431483879	/nfs/dbraw/zinc/48/38/79/431483879.db2.gz	QMFFGOWOEXEONN-ZBFHGGJFSA-N	0	3	313.401	2.890	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@]12C[C@@H]1CCC2)C(C)C	ZINC000663666951	431490281	/nfs/dbraw/zinc/49/02/81/431490281.db2.gz	BLBZYMWKSXNSKZ-JZXOWHBKSA-N	0	3	305.466	2.927	20	30		DFEDHN
C=CCCC1(CNC(=O)N[C@@H]2CCN(CCOC)C2)CCCC1	ZINC000660704804	431559624	/nfs/dbraw/zinc/55/96/24/431559624.db2.gz	QMUCKWGWUOPFPT-MRXNPFEDSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCC(C)CC1	ZINC000660843599	431625534	/nfs/dbraw/zinc/62/55/34/431625534.db2.gz	BFDLEYOHYHKBJF-YESZJQIVSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cc2n(n1)CCC2)C(C)C	ZINC000657307238	431666477	/nfs/dbraw/zinc/66/64/77/431666477.db2.gz	LWGDFYDPBHUQJZ-SFHVURJKSA-N	0	3	302.466	2.618	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C)Cc2cccc(OC)c2)nn1	ZINC000657357890	431700781	/nfs/dbraw/zinc/70/07/81/431700781.db2.gz	DSVZTZWQHYZBGJ-CQSZACIVSA-N	0	3	300.406	2.584	20	30		DFEDHN
C=CCCn1cc(CNCCc2cc(C)c(O)c(C)c2)nn1	ZINC000657445136	431757442	/nfs/dbraw/zinc/75/74/42/431757442.db2.gz	ZVHMCNNGEDTTAT-UHFFFAOYSA-N	0	3	300.406	2.509	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc(OC)cc1)[C@@H](C)COC	ZINC000661240633	431789282	/nfs/dbraw/zinc/78/92/82/431789282.db2.gz	PIMZQWDFKXNAPY-AWEZNQCLSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccc(C)cc1C)[C@H](C)COC	ZINC000661245809	431795263	/nfs/dbraw/zinc/79/52/63/431795263.db2.gz	CZRHXRDNYIRZRM-SJORKVTESA-N	0	3	307.434	2.566	20	30		DFEDHN
Cc1nc(N2CCC[C@@H](N3CCCC3)C2)c(Cl)cc1C#N	ZINC000359884436	281925188	/nfs/dbraw/zinc/92/51/88/281925188.db2.gz	WDLTULVANOLRQF-CQSZACIVSA-N	0	3	304.825	2.980	20	30		DFEDHN
CN(C)CCN(Cc1nc(C#N)cs1)CC1CCCCC1	ZINC000356346899	289151669	/nfs/dbraw/zinc/15/16/69/289151669.db2.gz	ULLYNJODGKJENM-UHFFFAOYSA-N	0	3	306.479	2.959	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2cc(C#N)[nH]c2C)N(C)C)cc1	ZINC000448607313	297348477	/nfs/dbraw/zinc/34/84/77/297348477.db2.gz	RMBBTNVIOIOXNH-SFHVURJKSA-N	0	3	324.428	2.790	20	30		DFEDHN
N#Cc1cc(C(=O)NCCN2CCCCCC2)ccc1Cl	ZINC000537547405	301302410	/nfs/dbraw/zinc/30/24/10/301302410.db2.gz	CKZIMLBEDDWVOH-UHFFFAOYSA-N	0	3	305.809	2.817	20	30		DFEDHN
Cn1ccnc1[C@H]1CCN(CCCOc2cccc(C#N)c2)C1	ZINC000538096391	301316387	/nfs/dbraw/zinc/31/63/87/301316387.db2.gz	KSWCZJIIZPYASM-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H]3C3CCOCC3)n2c1	ZINC000539670883	301346810	/nfs/dbraw/zinc/34/68/10/301346810.db2.gz	VAXYARVZXYIFNF-KRWDZBQOSA-N	0	3	310.401	2.597	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000541583573	301390536	/nfs/dbraw/zinc/39/05/36/301390536.db2.gz	XEMDFBRWZMRXLI-CABCVRRESA-N	0	3	317.820	2.910	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000543675594	301433719	/nfs/dbraw/zinc/43/37/19/301433719.db2.gz	NAOUOJYLQCXXRG-UHFFFAOYSA-N	0	3	317.820	2.912	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(CCN(C)C)CC(C)C	ZINC000545296717	301472628	/nfs/dbraw/zinc/47/26/28/301472628.db2.gz	QTHPGRPPFWHBBS-UHFFFAOYSA-N	0	3	318.421	2.618	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N[C@H](C)CN1CCCCC1	ZINC000546708650	301509681	/nfs/dbraw/zinc/50/96/81/301509681.db2.gz	HGCSXCLLPUFJDN-CYBMUJFWSA-N	0	3	316.405	2.563	20	30		DFEDHN
CCN(CC)[C@@H](CNc1ccncc1C#N)c1ccsc1	ZINC000548154391	301570081	/nfs/dbraw/zinc/57/00/81/301570081.db2.gz	OBGDYFONKMTYKX-INIZCTEOSA-N	0	3	300.431	2.932	20	30		DFEDHN
Cc1nc2c(n1[C@H]1CCN(Cc3ccc(C#N)cn3)C1)CCCC2	ZINC000563354235	302065459	/nfs/dbraw/zinc/06/54/59/302065459.db2.gz	QHMDXAPIMKWJMI-KRWDZBQOSA-N	0	3	321.428	2.784	20	30		DFEDHN
C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)c(F)c1	ZINC000564229587	302124763	/nfs/dbraw/zinc/12/47/63/302124763.db2.gz	FGURQYCOVWTXDC-IUIKQTSFSA-N	0	3	301.365	2.501	20	30		DFEDHN
N#Cc1csc(CN[C@@H]2CCOC3(CCSCC3)C2)n1	ZINC000564410010	302132831	/nfs/dbraw/zinc/13/28/31/302132831.db2.gz	GNLZYMHCFDNXFA-LLVKDONJSA-N	0	3	309.460	2.549	20	30		DFEDHN
C[C@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1cc2ccccc2o1	ZINC000564571673	302142031	/nfs/dbraw/zinc/14/20/31/302142031.db2.gz	OGWOGCBVEKOXGI-STQMWFEESA-N	0	3	321.384	2.893	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1	ZINC000564855781	302164926	/nfs/dbraw/zinc/16/49/26/302164926.db2.gz	HITAHIZMMRVUHC-CFLQYTFWSA-N	0	3	322.408	2.821	20	30		DFEDHN
Cc1csc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1C#N	ZINC000565162088	302199558	/nfs/dbraw/zinc/19/95/58/302199558.db2.gz	LMGYWEYHTGAELW-INIZCTEOSA-N	0	3	318.446	2.878	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000565261344	302214115	/nfs/dbraw/zinc/21/41/15/302214115.db2.gz	BMCDMAYCHYKJOK-UHFFFAOYSA-N	0	3	317.408	2.573	20	30		DFEDHN
CC[C@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000565475662	302226636	/nfs/dbraw/zinc/22/66/36/302226636.db2.gz	CGTOHOWDOWYFHB-KOMQPUFPSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000566300249	302276684	/nfs/dbraw/zinc/27/66/84/302276684.db2.gz	KIRQHIYCAQCALS-MRXNPFEDSA-N	0	3	317.389	2.887	20	30		DFEDHN
CC1(C)C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)O1	ZINC000566300184	302276863	/nfs/dbraw/zinc/27/68/63/302276863.db2.gz	FAHJYXOZNIMNLN-CQSZACIVSA-N	0	3	303.362	2.902	20	30		DFEDHN
CCN(C[C@@H]1CCCN1CC)C(=O)c1ncc(C#N)cc1Cl	ZINC000567776974	302388316	/nfs/dbraw/zinc/38/83/16/302388316.db2.gz	VIWROXSIHDOYDN-ZDUSSCGKSA-N	0	3	320.824	2.553	20	30		DFEDHN
CO[C@@]1(C)C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000570048000	302553533	/nfs/dbraw/zinc/55/35/33/302553533.db2.gz	CUDIJJFZMDWJNG-HOCLYGCPSA-N	0	3	303.362	2.760	20	30		DFEDHN
C[C@@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccccc1F	ZINC000174602052	315964582	/nfs/dbraw/zinc/96/45/82/315964582.db2.gz	NXVQHLCRSIHWGY-ZDUSSCGKSA-N	0	3	324.359	2.902	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1	ZINC000182317103	316096143	/nfs/dbraw/zinc/09/61/43/316096143.db2.gz	HPPPYUNUVFVEAM-GJZGRUSLSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1	ZINC000182317157	316096387	/nfs/dbraw/zinc/09/63/87/316096387.db2.gz	HPPPYUNUVFVEAM-HUUCEWRRSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCO1	ZINC000182333868	316097572	/nfs/dbraw/zinc/09/75/72/316097572.db2.gz	COAZRARYLHBSDY-UKRRQHHQSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC(C)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000319281306	316251416	/nfs/dbraw/zinc/25/14/16/316251416.db2.gz	ILFZQFXPYFWSKX-QGZVFWFLSA-N	0	3	302.418	2.666	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccccc2)C1	ZINC000324447993	316260982	/nfs/dbraw/zinc/26/09/82/316260982.db2.gz	UWZWFDYFOXTWPU-OALUTQOASA-N	0	3	322.408	2.787	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCN(C)c1ccncc1	ZINC000576817791	318152062	/nfs/dbraw/zinc/15/20/62/318152062.db2.gz	QXOPUUDVXUDFBL-HNNXBMFYSA-N	0	3	322.412	2.999	20	30		DFEDHN
CCN(CCNC(=O)NC(C)C)[C@@H](C)c1ccc(C#N)cc1	ZINC000577103304	318171357	/nfs/dbraw/zinc/17/13/57/318171357.db2.gz	CEXGFYFPRCWPJB-AWEZNQCLSA-N	0	3	302.422	2.649	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCOC[C@@H]2C)CC1	ZINC000578710352	318278769	/nfs/dbraw/zinc/27/87/69/318278769.db2.gz	GMOQVAFZXPFRLB-JKSUJKDBSA-N	0	3	313.445	2.804	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)Nc1scc(C)c1C#N	ZINC000578761686	318283500	/nfs/dbraw/zinc/28/35/00/318283500.db2.gz	MTLMWBREPSPSEH-LBPRGKRZSA-N	0	3	306.435	2.924	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CCN(C2CC2)C1	ZINC000579675821	318346263	/nfs/dbraw/zinc/34/62/63/318346263.db2.gz	ORBFLZWZANNKSC-LBPRGKRZSA-N	0	3	317.820	2.768	20	30		DFEDHN
CN1CCC[C@H]1CNc1cc(Br)c(C#N)cc1F	ZINC000380822443	323293064	/nfs/dbraw/zinc/29/30/64/323293064.db2.gz	YBUCVFOATFEDSI-JTQLQIEISA-N	0	3	312.186	2.966	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC2CCCCCC2)c1	ZINC000389580007	323336348	/nfs/dbraw/zinc/33/63/48/323336348.db2.gz	DUXSCOXPAANZRQ-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)cn1	ZINC000399587556	323359628	/nfs/dbraw/zinc/35/96/28/323359628.db2.gz	PJEUVVDJTRAQKD-LIRRHRJNSA-N	0	3	306.413	2.616	20	30		DFEDHN
Cc1cc(C#N)ccc1-c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000580385302	323376097	/nfs/dbraw/zinc/37/60/97/323376097.db2.gz	GFDPOSUMULWQMF-HUUCEWRRSA-N	0	3	321.384	2.772	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCCc2ccc(Cl)cc2)CC1	ZINC000490595023	332832611	/nfs/dbraw/zinc/83/26/11/332832611.db2.gz	YMMIWZUQFOJWJC-UHFFFAOYSA-N	0	3	318.848	2.734	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC1	ZINC000180579716	331573499	/nfs/dbraw/zinc/57/34/99/331573499.db2.gz	WDZLVIXWKHCHNS-UHFFFAOYSA-N	0	3	318.804	2.826	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000297838481	331608309	/nfs/dbraw/zinc/60/83/09/331608309.db2.gz	ONMAAJPMFQKDOG-CQSZACIVSA-N	0	3	305.447	2.550	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(OC(C)C)CC2)CC1	ZINC000530677814	331617879	/nfs/dbraw/zinc/61/78/79/331617879.db2.gz	HWHGJZPPJBRLKU-UHFFFAOYSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000558674278	331933751	/nfs/dbraw/zinc/93/37/51/331933751.db2.gz	PETDLWYJLFXMFH-CABCVRRESA-N	0	3	303.454	2.652	20	30		DFEDHN
C[C@H](O)CCN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000093481170	332139513	/nfs/dbraw/zinc/13/95/13/332139513.db2.gz	CDLDIDIWFGFUAW-HNNXBMFYSA-N	0	3	312.417	2.666	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000236754431	332202548	/nfs/dbraw/zinc/20/25/48/332202548.db2.gz	FDTZXSLNUXQCCS-KRWDZBQOSA-N	0	3	304.434	2.909	20	30		DFEDHN
C=CCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000292854362	335096249	/nfs/dbraw/zinc/09/62/49/335096249.db2.gz	QWIVLXLLKVLMQB-UHFFFAOYSA-N	0	3	306.362	2.641	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CCC1)C1CC1	ZINC000104701509	332247597	/nfs/dbraw/zinc/24/75/97/332247597.db2.gz	FHDOEKJXVWXEMW-RBUKOAKNSA-N	0	3	311.429	2.926	20	30		DFEDHN
N#CCSCCCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152198956	332267401	/nfs/dbraw/zinc/26/74/01/332267401.db2.gz	SNRZRBGQPXQTBH-CYBMUJFWSA-N	0	3	305.451	2.508	20	30		DFEDHN
C=CCOCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000566320123	332341306	/nfs/dbraw/zinc/34/13/06/332341306.db2.gz	MSJMRILDSOQPQY-LJQANCHMSA-N	0	3	316.445	2.750	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)CSc2ncc(C)cn2)n1	ZINC000119354703	332370362	/nfs/dbraw/zinc/37/03/62/332370362.db2.gz	SELNIBKDWVLNOF-JTQLQIEISA-N	0	3	304.400	2.519	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C2CCOCC2)CC1	ZINC000153502753	332386540	/nfs/dbraw/zinc/38/65/40/332386540.db2.gz	FBLLTPNPFZAMEB-INIZCTEOSA-N	0	3	320.477	2.714	20	30		DFEDHN
C=C(Br)CN1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000195290208	335104420	/nfs/dbraw/zinc/10/44/20/335104420.db2.gz	QABONPYNGFSOHY-HNNXBMFYSA-N	0	3	324.266	2.744	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)C1(C#N)CC(C)C1)c1ccco1	ZINC000561611362	332469723	/nfs/dbraw/zinc/46/97/23/332469723.db2.gz	XKINTHKKXXWDRA-YRTQGLMCSA-N	0	3	303.406	2.765	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000195404820	335112235	/nfs/dbraw/zinc/11/22/35/335112235.db2.gz	SPYDGLHHSOJRHE-MRXNPFEDSA-N	0	3	324.428	2.518	20	30		DFEDHN
C[C@H](CO[C@H]1CCOC1)NCc1cccc(OCCCC#N)c1	ZINC000151227436	332564412	/nfs/dbraw/zinc/56/44/12/332564412.db2.gz	FEZQBBVQRCYLGX-QAPCUYQASA-N	0	3	318.417	2.653	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c(Cl)c2ccccc2n1C	ZINC000293891957	335115583	/nfs/dbraw/zinc/11/55/83/335115583.db2.gz	DKXLVQHRLWDXSH-UHFFFAOYSA-N	0	3	317.820	2.517	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)CC1	ZINC000188040958	333018029	/nfs/dbraw/zinc/01/80/29/333018029.db2.gz	FHODKEVGDFGFDG-DLBZAZTESA-N	0	3	323.481	2.530	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@@H](CC)c1ccc(OC)cc1	ZINC000293998170	335116536	/nfs/dbraw/zinc/11/65/36/335116536.db2.gz	OOGUQFMNNUMRFF-MRXNPFEDSA-N	0	3	316.445	2.650	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000181034569	333029302	/nfs/dbraw/zinc/02/93/02/333029302.db2.gz	PESBOPMPMLTKIC-OAHLLOKOSA-N	0	3	323.481	2.672	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)NCCCCC#N)N(C)C)cc1	ZINC000171413822	333048241	/nfs/dbraw/zinc/04/82/41/333048241.db2.gz	UOWDLZCJEIHJCO-KRWDZBQOSA-N	0	3	316.449	2.845	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2[C@H](C1)C2(C)C	ZINC000172968275	333067909	/nfs/dbraw/zinc/06/79/09/333067909.db2.gz	YSANSNRPBURXAM-OIISXLGYSA-N	0	3	311.429	2.910	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000294413929	335122411	/nfs/dbraw/zinc/12/24/11/335122411.db2.gz	KATKRLYDLPKGGV-UHFFFAOYSA-N	0	3	301.434	2.979	20	30		DFEDHN
C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCCN(CC)CC1	ZINC000460562210	333105439	/nfs/dbraw/zinc/10/54/39/333105439.db2.gz	YIMOYZJFHAMJSG-UHFFFAOYSA-N	0	3	319.497	2.975	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC2(CCC2)O1	ZINC000518774729	333114570	/nfs/dbraw/zinc/11/45/70/333114570.db2.gz	CSEKGAXENYPBIZ-NVXWUHKLSA-N	0	3	312.413	2.929	20	30		DFEDHN
COc1ncccc1NC(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000179475829	333151089	/nfs/dbraw/zinc/15/10/89/333151089.db2.gz	XVCXEKLEMDHROQ-SNVBAGLBSA-N	0	3	316.386	2.916	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000187860217	333151291	/nfs/dbraw/zinc/15/12/91/333151291.db2.gz	ANFHXXRBJINVNX-QGZVFWFLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000179911601	333156527	/nfs/dbraw/zinc/15/65/27/333156527.db2.gz	HVLMUSKDSFDCJJ-HNNXBMFYSA-N	0	3	311.429	2.703	20	30		DFEDHN
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCCCC#N)cc1	ZINC000180939256	333166191	/nfs/dbraw/zinc/16/61/91/333166191.db2.gz	QSVVIDONABCNAP-AWEZNQCLSA-N	0	3	323.462	2.671	20	30		DFEDHN
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCCCC#N)cc1	ZINC000180939240	333166274	/nfs/dbraw/zinc/16/62/74/333166274.db2.gz	QSVVIDONABCNAP-CQSZACIVSA-N	0	3	323.462	2.671	20	30		DFEDHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc2c(c1)CCCC2	ZINC000181937962	333173612	/nfs/dbraw/zinc/17/36/12/333173612.db2.gz	SDVBUCHPKBCKIE-OAHLLOKOSA-N	0	3	313.445	2.978	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1	ZINC000182895401	333181073	/nfs/dbraw/zinc/18/10/73/333181073.db2.gz	CZHJPVILSRSMBD-CVEARBPZSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@H](O)[C@@H]2C)ccc1OC	ZINC000294727027	335126861	/nfs/dbraw/zinc/12/68/61/335126861.db2.gz	DAHMPVRJIKGMRZ-GOEBONIOSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000518781726	333187071	/nfs/dbraw/zinc/18/70/71/333187071.db2.gz	SZJWPWQOVAGHGU-INIZCTEOSA-N	0	3	303.450	2.964	20	30		DFEDHN
C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(OCC#N)cc1	ZINC000183897777	333189119	/nfs/dbraw/zinc/18/91/19/333189119.db2.gz	WGRLAZPFLRVZCJ-ZDUSSCGKSA-N	0	3	304.390	2.799	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1ccc(-c2cccnc2)cc1	ZINC000294422438	335122877	/nfs/dbraw/zinc/12/28/77/335122877.db2.gz	DNTFPSKEZWNJDF-OAHLLOKOSA-N	0	3	307.397	2.539	20	30		DFEDHN
Cn1cc([C@H](NCCCSCC#N)c2ccc(F)cc2)cn1	ZINC000185419015	333208645	/nfs/dbraw/zinc/20/86/45/333208645.db2.gz	KAJPHEZYBKZVCJ-MRXNPFEDSA-N	0	3	318.421	2.885	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCCNc2nccc(C(F)(F)F)n2)C1	ZINC000185840793	333214770	/nfs/dbraw/zinc/21/47/70/333214770.db2.gz	DFCWMPQNHHZMAY-MNOVXSKESA-N	0	3	313.327	2.579	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCCNc2nccc(C(F)(F)F)n2)C1	ZINC000185840774	333214800	/nfs/dbraw/zinc/21/48/00/333214800.db2.gz	DFCWMPQNHHZMAY-GHMZBOCLSA-N	0	3	313.327	2.579	20	30		DFEDHN
C=CCNC(=O)CN1CC[C@H](Cc2ccc(C(F)F)cc2)C1	ZINC000364087962	333235804	/nfs/dbraw/zinc/23/58/04/333235804.db2.gz	VGNVXPQJYCVSFJ-CQSZACIVSA-N	0	3	308.372	2.791	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21	ZINC000364148988	333247779	/nfs/dbraw/zinc/24/77/79/333247779.db2.gz	JXHSOKXFVKRSSA-IKGGRYGDSA-N	0	3	323.481	2.900	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21	ZINC000364148987	333247861	/nfs/dbraw/zinc/24/78/61/333247861.db2.gz	JXHSOKXFVKRSSA-BBWFWOEESA-N	0	3	323.481	2.900	20	30		DFEDHN
C#CCOc1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1	ZINC000295180957	335130849	/nfs/dbraw/zinc/13/08/49/335130849.db2.gz	VRWHSHCPEGWMFP-GOSISDBHSA-N	0	3	313.372	2.531	20	30		DFEDHN
C=CCC[C@H](O)CN(CCOC)[C@@H]1CCCc2cccnc21	ZINC000364329079	333289381	/nfs/dbraw/zinc/28/93/81/333289381.db2.gz	PNVOGSRMPMIMMH-DLBZAZTESA-N	0	3	304.434	2.735	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCc3nnc(CC)n3C2)c1	ZINC000364423298	333312582	/nfs/dbraw/zinc/31/25/82/333312582.db2.gz	RYHVGPMLHVLUPO-HNNXBMFYSA-N	0	3	312.417	2.510	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000364427924	333313548	/nfs/dbraw/zinc/31/35/48/333313548.db2.gz	LIAVMBQVLUTXMA-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1)C1CCCC1	ZINC000109800782	333326413	/nfs/dbraw/zinc/32/64/13/333326413.db2.gz	YARZRLKKZWKUGK-KRWDZBQOSA-N	0	3	315.417	2.519	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCOC1(C)C	ZINC000295242804	335134316	/nfs/dbraw/zinc/13/43/16/335134316.db2.gz	PNKLXEZNWKVSJR-UKRRQHHQSA-N	0	3	322.474	2.808	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000295486357	335135116	/nfs/dbraw/zinc/13/51/16/335135116.db2.gz	YZHGYDGTMQOOJF-INIZCTEOSA-N	0	3	301.434	2.574	20	30		DFEDHN
CCCCCCCC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1	ZINC000365103797	333355152	/nfs/dbraw/zinc/35/51/52/333355152.db2.gz	CUGYHPGMZLEBQP-SFHVURJKSA-N	0	3	323.525	2.833	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1OC(F)F	ZINC000337430811	333449005	/nfs/dbraw/zinc/44/90/05/333449005.db2.gz	UXLONEHJRFSPOK-MELADBBJSA-N	0	3	316.392	2.716	20	30		DFEDHN
C=CC(C)(C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000296074394	335140985	/nfs/dbraw/zinc/14/09/85/335140985.db2.gz	PPEFXIVHCGYTOJ-UHFFFAOYSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=C[C@H](CO)N[C@@H]1CCc2c1ccc(F)c2Br	ZINC000296133417	335141547	/nfs/dbraw/zinc/14/15/47/335141547.db2.gz	UQAPNOLRZMEFHV-PRHODGIISA-N	0	3	300.171	2.712	20	30		DFEDHN
N#CCCCCN1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000338735429	333496771	/nfs/dbraw/zinc/49/67/71/333496771.db2.gz	YOYCNYPTVBCXIR-UHFFFAOYSA-N	0	3	303.381	2.714	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(n3cc(Br)cn3)CC2)C1	ZINC000338991699	333504150	/nfs/dbraw/zinc/50/41/50/333504150.db2.gz	COKCRBSJFCVSGN-BXUZGUMPSA-N	0	3	323.238	2.975	20	30		DFEDHN
COc1cccc(NC2CCN(CCOCCC#N)CC2)c1	ZINC000339010725	333505466	/nfs/dbraw/zinc/50/54/66/333505466.db2.gz	SYCYREQVULSKFR-UHFFFAOYSA-N	0	3	303.406	2.502	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)C1	ZINC000339064556	333507948	/nfs/dbraw/zinc/50/79/48/333507948.db2.gz	MFFWLZTXWITHAV-ZACQAIPSSA-N	0	3	315.461	2.793	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)OCC	ZINC000339201385	333512822	/nfs/dbraw/zinc/51/28/22/333512822.db2.gz	RPTIBHFZDLBFMV-IRXDYDNUSA-N	0	3	308.466	2.835	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1	ZINC000296512628	335145787	/nfs/dbraw/zinc/14/57/87/335145787.db2.gz	POKIWHCWJORYMJ-WFASDCNBSA-N	0	3	308.809	2.747	20	30		DFEDHN
CCc1ccc(C#CC(=O)NC2CCN(C3CCC3)CC2)cc1	ZINC000296846742	335146859	/nfs/dbraw/zinc/14/68/59/335146859.db2.gz	FVMIKTTZEJCTIE-UHFFFAOYSA-N	0	3	310.441	2.734	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccsc1	ZINC000297083849	335149265	/nfs/dbraw/zinc/14/92/65/335149265.db2.gz	ZNSLVPFAPKJQCF-OAHLLOKOSA-N	0	3	305.447	2.550	20	30		DFEDHN
CC#CCN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000297116126	335149446	/nfs/dbraw/zinc/14/94/46/335149446.db2.gz	GDCMUVGMFZAPOY-HNNXBMFYSA-N	0	3	301.434	2.781	20	30		DFEDHN
C#C[C@H](C)NC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000185994931	335155422	/nfs/dbraw/zinc/15/54/22/335155422.db2.gz	IBMMRLVYUCORJT-WMZOPIPTSA-N	0	3	313.445	2.562	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2ccccc12	ZINC000343438301	335164374	/nfs/dbraw/zinc/16/43/74/335164374.db2.gz	YTIUOXJEIDHQTP-GFCCVEGCSA-N	0	3	315.336	2.711	20	30		DFEDHN
C=CCOc1ccc(CNCCC(C)(C)S(C)(=O)=O)cc1	ZINC000414512493	334003241	/nfs/dbraw/zinc/00/32/41/334003241.db2.gz	IQUJPXBEWYTATN-UHFFFAOYSA-N	0	3	311.447	2.554	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1	ZINC000270248522	334009847	/nfs/dbraw/zinc/00/98/47/334009847.db2.gz	AHIYKGNYDPTGQS-SFHVURJKSA-N	0	3	311.429	2.843	20	30		DFEDHN
CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000271263143	334020601	/nfs/dbraw/zinc/02/06/01/334020601.db2.gz	HTFJDGDPYIJJAR-YJBOKZPZSA-N	0	3	324.428	2.666	20	30		DFEDHN
CC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1O	ZINC000271263140	334020617	/nfs/dbraw/zinc/02/06/17/334020617.db2.gz	HTFJDGDPYIJJAR-CRAIPNDOSA-N	0	3	324.428	2.666	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H](CO)[C@H]2C)cc(OC)c1O	ZINC000414575455	334024761	/nfs/dbraw/zinc/02/47/61/334024761.db2.gz	NIQOCXMGAMZURW-CZUORRHYSA-N	0	3	305.418	2.722	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)cc1C	ZINC000271736942	334026033	/nfs/dbraw/zinc/02/60/33/334026033.db2.gz	HSTCSNJTTXNIAH-GOEBONIOSA-N	0	3	301.434	2.962	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)c(C)c1	ZINC000271846251	334027812	/nfs/dbraw/zinc/02/78/12/334027812.db2.gz	ZDMDHQJYGCJZBW-XJKSGUPXSA-N	0	3	301.434	2.962	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000271887984	334028169	/nfs/dbraw/zinc/02/81/69/334028169.db2.gz	DIABQKBZBRCGEO-UHFFFAOYSA-N	0	3	312.417	2.871	20	30		DFEDHN
C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000353407228	334031794	/nfs/dbraw/zinc/03/17/94/334031794.db2.gz	RLCZVADXSAIKPT-UONOGXRCSA-N	0	3	310.463	2.942	20	30		DFEDHN
CC1(C#N)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1	ZINC000272538001	334036979	/nfs/dbraw/zinc/03/69/79/334036979.db2.gz	OMAQWMVSXKQOOQ-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000272682788	334038808	/nfs/dbraw/zinc/03/88/08/334038808.db2.gz	OAZYSFGANHZVBV-CQSZACIVSA-N	0	3	316.405	2.537	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NCCCC#N)N2CCCC2)cc1	ZINC000273160197	334043713	/nfs/dbraw/zinc/04/37/13/334043713.db2.gz	ZSXRKVFXYNEJBG-KRWDZBQOSA-N	0	3	314.433	2.735	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1O	ZINC000273428626	334046560	/nfs/dbraw/zinc/04/65/60/334046560.db2.gz	UCUOJPUXWDZHGW-DLBZAZTESA-N	0	3	302.418	2.818	20	30		DFEDHN
COc1ccc(CNCCCCC#N)c(Br)c1O	ZINC000273833270	334051869	/nfs/dbraw/zinc/05/18/69/334051869.db2.gz	PXVHRGCQNWNNEF-UHFFFAOYSA-N	0	3	313.195	2.947	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2cc(F)ccc2N2CCOCC2)C1	ZINC000274228533	334057376	/nfs/dbraw/zinc/05/73/76/334057376.db2.gz	RZJPGZJQLAQKCN-RHSMWYFYSA-N	0	3	317.408	2.834	20	30		DFEDHN
CC[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)N(CC)CC	ZINC000274565727	334063261	/nfs/dbraw/zinc/06/32/61/334063261.db2.gz	KYZCUPIASHISPT-MJGOQNOKSA-N	0	3	313.445	2.674	20	30		DFEDHN
CN(C)C1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCC1	ZINC000275522407	334071988	/nfs/dbraw/zinc/07/19/88/334071988.db2.gz	VPXZGZIOSKCJGZ-INIZCTEOSA-N	0	3	314.433	2.815	20	30		DFEDHN
CCN(CCC#N)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000278761432	334100973	/nfs/dbraw/zinc/10/09/73/334100973.db2.gz	XWUUSMLNHGEVOD-SFHVURJKSA-N	0	3	301.434	2.513	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC(C)(C)C#N	ZINC000279070784	334105217	/nfs/dbraw/zinc/10/52/17/334105217.db2.gz	UBYLPHXGONSHLI-RDJZCZTQSA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)CC(C)(C)C#N	ZINC000279232361	334106801	/nfs/dbraw/zinc/10/68/01/334106801.db2.gz	JESJIYQEWGJXHL-UHFFFAOYSA-N	0	3	315.461	2.949	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1	ZINC000279993498	334113582	/nfs/dbraw/zinc/11/35/82/334113582.db2.gz	RQIFODAPEQSTNX-YOEHRIQHSA-N	0	3	313.445	2.946	20	30		DFEDHN
N#CCCCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000280306146	334116047	/nfs/dbraw/zinc/11/60/47/334116047.db2.gz	WJJZSLFWSINFJK-UHFFFAOYSA-N	0	3	323.396	2.609	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000282281025	334133011	/nfs/dbraw/zinc/13/30/11/334133011.db2.gz	KZTGKLDLRHPSCL-UTNFCUCBSA-N	0	3	317.820	2.894	20	30		DFEDHN
CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)CCC#N	ZINC000282495925	334135038	/nfs/dbraw/zinc/13/50/38/334135038.db2.gz	QJMRHGSYBSACNS-HNNXBMFYSA-N	0	3	317.433	2.755	20	30		DFEDHN
CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)CCC#N	ZINC000282495925	334135039	/nfs/dbraw/zinc/13/50/39/334135039.db2.gz	QJMRHGSYBSACNS-HNNXBMFYSA-N	0	3	317.433	2.755	20	30		DFEDHN
CC1(C#N)CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1	ZINC000283262325	334139751	/nfs/dbraw/zinc/13/97/51/334139751.db2.gz	WDMLPEKKGQJXSN-INIZCTEOSA-N	0	3	311.429	2.774	20	30		DFEDHN
CCOC1CC(CO/N=C/c2ccc(N3CCOCC3)cc2)C1	ZINC000285185525	334146250	/nfs/dbraw/zinc/14/62/50/334146250.db2.gz	OFJAQWPUNYMKGR-CPNJWEJPSA-N	0	3	318.417	2.689	20	30		DFEDHN
C[C@@H](CC#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285351030	334147336	/nfs/dbraw/zinc/14/73/36/334147336.db2.gz	ZFWLYKRSKDUETI-DZGCQCFKSA-N	0	3	321.371	2.562	20	30		DFEDHN
CCOC1CC2(C1)CCN(Cc1ccc(OCC#N)cc1)C2	ZINC000285526667	334148580	/nfs/dbraw/zinc/14/85/80/334148580.db2.gz	PLJIESQPUIZGIS-UHFFFAOYSA-N	0	3	300.402	2.980	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccncc2OC[C@H]2CCOC2)C1	ZINC000287201149	334156713	/nfs/dbraw/zinc/15/67/13/334156713.db2.gz	DTZLSAANYYBOOW-VYDXJSESSA-N	0	3	315.417	2.669	20	30		DFEDHN
N#CC1(CCCN2CC[C@H](n3cc(Cl)cn3)C2)CCOCC1	ZINC000289931783	334169606	/nfs/dbraw/zinc/16/96/06/334169606.db2.gz	PCLYIYKEKKZTRG-HNNXBMFYSA-N	0	3	322.840	2.884	20	30		DFEDHN
COc1cc(CNCCCC#N)cc(OC)c1OCC(F)F	ZINC000290060239	334170771	/nfs/dbraw/zinc/17/07/71/334170771.db2.gz	HDIKUILQBRWYRC-UHFFFAOYSA-N	0	3	314.332	2.741	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1	ZINC000290376758	334172576	/nfs/dbraw/zinc/17/25/76/334172576.db2.gz	HEUYUABZGROMNP-MRXNPFEDSA-N	0	3	317.433	2.742	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)CCCC#N)c1cccc(OC)c1	ZINC000291049620	334176104	/nfs/dbraw/zinc/17/61/04/334176104.db2.gz	ZHSWDIIWGVJHHG-KRWDZBQOSA-N	0	3	317.433	2.888	20	30		DFEDHN
CC(C)Oc1ccc([C@H](CNC(=O)CCCC#N)N(C)C)cc1	ZINC000293515342	334198507	/nfs/dbraw/zinc/19/85/07/334198507.db2.gz	ZVSAOKXGLKLOCC-KRWDZBQOSA-N	0	3	317.433	2.887	20	30		DFEDHN
N#CCCn1cc(CN2CCC[C@H](O)CC2)c(-c2ccccc2)n1	ZINC000294194203	334206850	/nfs/dbraw/zinc/20/68/50/334206850.db2.gz	XLZWQUFOJDYXFW-SFHVURJKSA-N	0	3	324.428	2.811	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1	ZINC000294386832	334208785	/nfs/dbraw/zinc/20/87/85/334208785.db2.gz	CUHOCWQZDAXPLP-INIZCTEOSA-N	0	3	312.457	2.789	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1OCCCC#N	ZINC000295010291	334215400	/nfs/dbraw/zinc/21/54/00/334215400.db2.gz	MAUAGUNUHCDWPY-GOEBONIOSA-N	0	3	318.417	2.723	20	30		DFEDHN
C[C@H]1CCC[C@@](C/N=C/c2ccc(O)c([O-])c2O)([NH+](C)C)C1	ZINC000299011788	334252254	/nfs/dbraw/zinc/25/22/54/334252254.db2.gz	DAAUUSMUGXTCCU-HIQWFDKSSA-N	0	3	306.406	2.733	20	30		DFEDHN
C=C(C)CNCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000119626400	334285033	/nfs/dbraw/zinc/28/50/33/334285033.db2.gz	CBIGMTSAOYWMFH-CQSZACIVSA-N	0	3	320.433	2.607	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H](O)c1ccc(OC)cc1	ZINC000042202438	334333178	/nfs/dbraw/zinc/33/31/78/334333178.db2.gz	WHPTUXMXNKVZIP-SFHVURJKSA-N	0	3	311.381	2.530	20	30		DFEDHN
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCNCC1	ZINC000415164358	334333395	/nfs/dbraw/zinc/33/33/95/334333395.db2.gz	PORZBGOJIFDWNE-ZDUSSCGKSA-N	0	3	318.446	2.766	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC(CCO)CC2)c1	ZINC000535068940	334363890	/nfs/dbraw/zinc/36/38/90/334363890.db2.gz	JLAPYCDYVGEKEG-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(C1CC1)C1CCN(CC)CC1)OCC	ZINC000366736490	334453190	/nfs/dbraw/zinc/45/31/90/334453190.db2.gz	DILHPEHNDORSNE-KRWDZBQOSA-N	0	3	308.466	2.833	20	30		DFEDHN
COCC1(C#N)CCN(CCCc2ccc3c(c2)CCO3)CC1	ZINC000342841877	334581767	/nfs/dbraw/zinc/58/17/67/334581767.db2.gz	UOASOXPOZSVJFM-UHFFFAOYSA-N	0	3	314.429	2.806	20	30		DFEDHN
Cn1cc(C(=O)Nc2ccccc2NC2CCN(C)CC2)cn1	ZINC000328749699	334751587	/nfs/dbraw/zinc/75/15/87/334751587.db2.gz	MLJPXOGGVHZWLY-UHFFFAOYSA-N	0	3	313.405	2.563	20	30		DFEDHN
CCc1noc(C)c1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000330879700	334817630	/nfs/dbraw/zinc/81/76/30/334817630.db2.gz	HRNBUZDAPWAYOH-NSHDSACASA-N	0	3	308.426	2.753	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1	ZINC000330842813	334818635	/nfs/dbraw/zinc/81/86/35/334818635.db2.gz	KHQAITWQLRKXIA-UHFFFAOYSA-N	0	3	324.356	2.792	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000334006075	334867598	/nfs/dbraw/zinc/86/75/98/334867598.db2.gz	WTBRCPVHTLQGEB-IRXDYDNUSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000343672873	335182908	/nfs/dbraw/zinc/18/29/08/335182908.db2.gz	QZLMCBBXBDAJIV-DOTOQJQBSA-N	0	3	317.408	2.702	20	30		DFEDHN
Cc1noc([C@@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)n1	ZINC000344011266	335212545	/nfs/dbraw/zinc/21/25/45/335212545.db2.gz	ITFWSHIOVBDKRZ-CVEARBPZSA-N	0	3	324.384	2.814	20	30		DFEDHN
O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]12	ZINC000344062188	335214278	/nfs/dbraw/zinc/21/42/78/335214278.db2.gz	MTPKHLVSYDINAL-FVQBIDKESA-N	0	3	309.331	2.760	20	30		DFEDHN
CC(C#N)C(=O)N(CCCOc1ccccc1)C1CCOCC1	ZINC000344832887	335279029	/nfs/dbraw/zinc/27/90/29/335279029.db2.gz	NWJQFUMTOJNJDS-HNNXBMFYSA-N	0	3	316.401	2.623	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000345369023	335321035	/nfs/dbraw/zinc/32/10/35/335321035.db2.gz	AFRIUONQWJBVLP-MRXNPFEDSA-N	0	3	311.429	2.924	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000345718666	335345559	/nfs/dbraw/zinc/34/55/59/335345559.db2.gz	WDFJCYOERZRFRN-UHFFFAOYSA-N	0	3	317.408	2.960	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000345798634	335351747	/nfs/dbraw/zinc/35/17/47/335351747.db2.gz	PTVBZQLFERMYMH-HOTGVXAUSA-N	0	3	308.466	2.548	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1	ZINC000345819689	335353145	/nfs/dbraw/zinc/35/31/45/335353145.db2.gz	SISYVJUGEXJXMI-OLZOCXBDSA-N	0	3	305.809	2.705	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000345997902	335368505	/nfs/dbraw/zinc/36/85/05/335368505.db2.gz	MHYKSYLKNBHHDS-NJAFHUGGSA-N	0	3	316.445	2.604	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000346070432	335372441	/nfs/dbraw/zinc/37/24/41/335372441.db2.gz	KEGQLTWLPBTJBG-BBWFWOEESA-N	0	3	308.466	2.958	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000346167574	335384636	/nfs/dbraw/zinc/38/46/36/335384636.db2.gz	GDNUOJDEDSBBTH-DAYGRLMNSA-N	0	3	311.429	2.555	20	30		DFEDHN
CCN(CCc1cccs1)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000346228427	335386395	/nfs/dbraw/zinc/38/63/95/335386395.db2.gz	QOWGEWJVYGWEMX-CYBMUJFWSA-N	0	3	305.447	2.563	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000346790181	335441517	/nfs/dbraw/zinc/44/15/17/335441517.db2.gz	XNXRPKVOEFCRGR-SJORKVTESA-N	0	3	323.481	2.530	20	30		DFEDHN
N#CCCCOc1cccc(CNCCNc2ccccn2)c1	ZINC000347840503	335527446	/nfs/dbraw/zinc/52/74/46/335527446.db2.gz	ZQLKMRBSKZTNDY-UHFFFAOYSA-N	0	3	310.401	2.966	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C(F)F)C(C)C	ZINC000348018179	335542452	/nfs/dbraw/zinc/54/24/52/335542452.db2.gz	YWWWQULAMCZZEL-MGPQQGTHSA-N	0	3	315.408	2.638	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCC[C@@H]1OC(F)F	ZINC000348541698	335595818	/nfs/dbraw/zinc/59/58/18/335595818.db2.gz	XSXUICCZWPRRJQ-XQQFMLRXSA-N	0	3	304.381	2.549	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1ccc(Cl)cc1Cl	ZINC000582177150	335725537	/nfs/dbraw/zinc/72/55/37/335725537.db2.gz	DVYKKFDWKNKEBW-LLVKDONJSA-N	0	3	303.189	2.626	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(C)c(OC)c2)CC1	ZINC000106038128	335792701	/nfs/dbraw/zinc/79/27/01/335792701.db2.gz	RYYBWIAGPBWRBP-UHFFFAOYSA-N	0	3	316.445	2.703	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2OC)CC1	ZINC000106319643	335797521	/nfs/dbraw/zinc/79/75/21/335797521.db2.gz	PUNGPDJPWKGCMD-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000329443206	335976846	/nfs/dbraw/zinc/97/68/46/335976846.db2.gz	NJTGOMDYSKTYAG-CHWSQXEVSA-N	0	3	315.417	2.877	20	30		DFEDHN
C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CCCOC1	ZINC000329509575	335986149	/nfs/dbraw/zinc/98/61/49/335986149.db2.gz	MJKBJTXSSSPYKK-HOTGVXAUSA-N	0	3	324.465	2.793	20	30		DFEDHN
C=CCn1c(N2C[C@@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C	ZINC000351077881	336012123	/nfs/dbraw/zinc/01/21/23/336012123.db2.gz	XELAWCLYXIPTCB-ZIAGYGMSSA-N	0	3	305.470	2.681	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cn(C)nc1C1CC1	ZINC000329628990	336016559	/nfs/dbraw/zinc/01/65/59/336016559.db2.gz	QDXDCJIEDHWHEV-LBPRGKRZSA-N	0	3	319.453	2.505	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NCCN2CC[C@H](C)C2)cc1	ZINC000582220958	336022962	/nfs/dbraw/zinc/02/29/62/336022962.db2.gz	RJVBKEDJYMAFCP-YJBOKZPZSA-N	0	3	301.434	2.971	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)CCC#N)C2)nc1	ZINC000351496214	336038517	/nfs/dbraw/zinc/03/85/17/336038517.db2.gz	VZXASUHWBWWQKT-HUUCEWRRSA-N	0	3	300.406	2.733	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000351575149	336046268	/nfs/dbraw/zinc/04/62/68/336046268.db2.gz	QTIQYGMJMMEPHG-UWVGGRQHSA-N	0	3	312.200	2.848	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)Cc2cc(F)cc3c2OCOC3)CCN1C	ZINC000329704492	336061124	/nfs/dbraw/zinc/06/11/24/336061124.db2.gz	IVDSITWRXGXFRB-ABAIWWIYSA-N	0	3	322.380	2.674	20	30		DFEDHN
C=C(C)CCN1CCN(c2ccccc2OCCOC)CC1	ZINC000351730750	336063167	/nfs/dbraw/zinc/06/31/67/336063167.db2.gz	RMBLMLQRLCLQRZ-UHFFFAOYSA-N	0	3	304.434	2.800	20	30		DFEDHN
C[C@H](NC(=O)NCCOC1CCCCCC1)C1=CCN(C)CC1	ZINC000329712871	336066470	/nfs/dbraw/zinc/06/64/70/336066470.db2.gz	QRBGIEYDKBIJGE-HNNXBMFYSA-N	0	3	323.481	2.880	20	30		DFEDHN
O=C(CC1(O)CCCC1)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000329759056	336078565	/nfs/dbraw/zinc/07/85/65/336078565.db2.gz	OKDYYCDUZLTHDU-INIZCTEOSA-N	0	3	302.418	2.913	20	30		DFEDHN
CC(C)c1noc(CCC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1	ZINC000329810102	336084753	/nfs/dbraw/zinc/08/47/53/336084753.db2.gz	BHQIADJPPDBJOD-DGCLKSJQSA-N	0	3	306.410	2.565	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)CC2	ZINC000329827845	336087149	/nfs/dbraw/zinc/08/71/49/336087149.db2.gz	CYFPGUWGPAUJAL-MGPQQGTHSA-N	0	3	319.453	2.546	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21	ZINC000329879317	336091592	/nfs/dbraw/zinc/09/15/92/336091592.db2.gz	MBJXYILZOMERJZ-TYNCELHUSA-N	0	3	303.406	2.994	20	30		DFEDHN
CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000329882407	336092194	/nfs/dbraw/zinc/09/21/94/336092194.db2.gz	PXAGJNFAKNFWQL-IUIKQTSFSA-N	0	3	307.438	2.961	20	30		DFEDHN
Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)nnn1CC1CCCC1	ZINC000329883187	336092202	/nfs/dbraw/zinc/09/22/02/336092202.db2.gz	QVFMMJFLRATALW-IUODEOHRSA-N	0	3	319.453	2.564	20	30		DFEDHN
C[C@@H]1CCC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)CC1	ZINC000329907255	336094389	/nfs/dbraw/zinc/09/43/89/336094389.db2.gz	KTDHDPOVXQVDBB-ILXRZTDVSA-N	0	3	304.438	2.918	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1	ZINC000329938818	336097576	/nfs/dbraw/zinc/09/75/76/336097576.db2.gz	FHLHWNNCEARLQN-HUUCEWRRSA-N	0	3	309.454	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnn2C2CCCC2)CC1	ZINC000330086415	336112336	/nfs/dbraw/zinc/11/23/36/336112336.db2.gz	SBWZXLQNSBIUPW-UHFFFAOYSA-N	0	3	316.449	2.769	20	30		DFEDHN
CCOc1cccnc1C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000330161119	336119472	/nfs/dbraw/zinc/11/94/72/336119472.db2.gz	SRJLUINNTSQCPS-ZDUSSCGKSA-N	0	3	303.406	2.802	20	30		DFEDHN
Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)o1	ZINC000330162546	336119531	/nfs/dbraw/zinc/11/95/31/336119531.db2.gz	UPJLILZCSOYXBU-DGCLKSJQSA-N	0	3	314.389	2.832	20	30		DFEDHN
C[C@H](CNC(=O)N[C@H]1CCOC2(CCC2)C1)N1CCC(C)CC1	ZINC000330176859	336121118	/nfs/dbraw/zinc/12/11/18/336121118.db2.gz	COEXTFQODUCRBR-CVEARBPZSA-N	0	3	323.481	2.712	20	30		DFEDHN
O=C(N[C@@H]1CSc2ccccc21)N[C@@H]1CCn2ccnc2C1	ZINC000330183822	336121908	/nfs/dbraw/zinc/12/19/08/336121908.db2.gz	IEZGLTQVNNQCMN-DGCLKSJQSA-N	0	3	314.414	2.549	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1	ZINC000330206231	336124356	/nfs/dbraw/zinc/12/43/56/336124356.db2.gz	DBVWSUSPHVBEMG-UZMCECQYSA-N	0	3	323.437	2.593	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1	ZINC000330210240	336124722	/nfs/dbraw/zinc/12/47/22/336124722.db2.gz	IGANJTHBBFNQMJ-MRXNPFEDSA-N	0	3	321.465	2.632	20	30		DFEDHN
CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330215206	336125346	/nfs/dbraw/zinc/12/53/46/336125346.db2.gz	GWICCRAWZVCADO-HZPDHXFCSA-N	0	3	324.465	2.934	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000330235268	336127804	/nfs/dbraw/zinc/12/78/04/336127804.db2.gz	TVLVXENRDCBECV-NKFCBESUSA-N	0	3	318.373	2.549	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](CC(F)(F)F)C(C)C	ZINC000445898986	338514899	/nfs/dbraw/zinc/51/48/99/338514899.db2.gz	TXQOAUVOUOYRRS-VXGBXAGGSA-N	0	3	307.360	2.561	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nnc4n3CCCCC4)C2)C1	ZINC000330276809	336132812	/nfs/dbraw/zinc/13/28/12/336132812.db2.gz	NKZJZVRPYYQZIB-BZUAXINKSA-N	0	3	313.449	2.876	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)CC1	ZINC000332470851	336172397	/nfs/dbraw/zinc/17/23/97/336172397.db2.gz	NFAOYKGWODLXEX-CVEARBPZSA-N	0	3	323.481	2.528	20	30		DFEDHN
N#CC1CCC(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1	ZINC000333027571	336196907	/nfs/dbraw/zinc/19/69/07/336196907.db2.gz	BLJOFROOZXJMFE-VMBOVVBDSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCC[C@@H](C)C1	ZINC000333173575	336199241	/nfs/dbraw/zinc/19/92/41/336199241.db2.gz	KVOVSEKWUKMXHL-IIDMSEBBSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000352236720	336205552	/nfs/dbraw/zinc/20/55/52/336205552.db2.gz	FLBCVEZGVMMRPL-ZBFHGGJFSA-N	0	3	321.490	2.896	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1	ZINC000333615637	336207260	/nfs/dbraw/zinc/20/72/60/336207260.db2.gz	XOSFBJZNDOARGZ-GOSISDBHSA-N	0	3	301.434	2.617	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncn1	ZINC000352304283	336211204	/nfs/dbraw/zinc/21/12/04/336211204.db2.gz	GIFVCBFDGZRPGY-LLVKDONJSA-N	0	3	322.246	2.621	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SCCOC)cc1	ZINC000103500190	336242200	/nfs/dbraw/zinc/24/22/00/336242200.db2.gz	SJUZEDLFQKIXJW-KBPBESRZSA-N	0	3	322.474	2.766	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SCCOC)cc1	ZINC000103500193	336242241	/nfs/dbraw/zinc/24/22/41/336242241.db2.gz	SJUZEDLFQKIXJW-UONOGXRCSA-N	0	3	322.474	2.766	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1nc(CC)oc1C)C(C)C	ZINC000352859531	336281864	/nfs/dbraw/zinc/28/18/64/336281864.db2.gz	FYLXDVDQCPQVRP-OAHLLOKOSA-N	0	3	319.449	2.974	20	30		DFEDHN
C=C[C@@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000352954800	336379164	/nfs/dbraw/zinc/37/91/64/336379164.db2.gz	IEMBTOHOIIKJLI-CQSZACIVSA-N	0	3	302.422	2.525	20	30		DFEDHN
C=CCNC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000029318968	336394847	/nfs/dbraw/zinc/39/48/47/336394847.db2.gz	ZMJPTUAOUDOYJW-MRXNPFEDSA-N	0	3	305.422	2.563	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc(F)c(F)c1	ZINC000418036137	336396518	/nfs/dbraw/zinc/39/65/18/336396518.db2.gz	VVPZBWPPNXDHJF-WQGACYEGSA-N	0	3	323.387	2.974	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(O)c2)CC1	ZINC000112453761	336399532	/nfs/dbraw/zinc/39/95/32/336399532.db2.gz	MYAOHQVDJIUNJP-AWEZNQCLSA-N	0	3	317.433	2.793	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1	ZINC000113320203	336400740	/nfs/dbraw/zinc/40/07/40/336400740.db2.gz	HOBCVPBXIYEGOI-UHFFFAOYSA-N	0	3	321.424	2.984	20	30		DFEDHN
C#CCCOc1ccc(CNC[C@H](O)Cc2ccccc2)cc1	ZINC000113337594	336400756	/nfs/dbraw/zinc/40/07/56/336400756.db2.gz	CIXAKOCEOFRNEI-LJQANCHMSA-N	0	3	309.409	2.782	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCC)CCN1CCCCC1	ZINC000353170073	336405533	/nfs/dbraw/zinc/40/55/33/336405533.db2.gz	QQXBQJFNZLDWIC-UHFFFAOYSA-N	0	3	309.498	2.609	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1	ZINC000353570865	336425822	/nfs/dbraw/zinc/42/58/22/336425822.db2.gz	UBKOHQSFRONLOP-ZFWWWQNUSA-N	0	3	305.422	2.758	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(C)cc2Cl)CC1	ZINC000354310142	336466420	/nfs/dbraw/zinc/46/64/20/336466420.db2.gz	GCWFGZFDBQGBFC-UHFFFAOYSA-N	0	3	306.837	2.958	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)[C@@H](c1ccccc1)N(C)C	ZINC000355087707	336494319	/nfs/dbraw/zinc/49/43/19/336494319.db2.gz	ZANMCMBIRLFNFU-LLLHUVSDSA-N	0	3	314.433	2.669	20	30		DFEDHN
C=C(CC)CN1CCN(c2ccccc2OCCN(C)C)CC1	ZINC000358616057	336636967	/nfs/dbraw/zinc/63/69/67/336636967.db2.gz	PESQRRWMIHLJQY-UHFFFAOYSA-N	0	3	317.477	2.715	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358636058	336637720	/nfs/dbraw/zinc/63/77/20/336637720.db2.gz	PQHOTVHKXHACRC-RHSMWYFYSA-N	0	3	319.449	2.950	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2cccnc2)CC1	ZINC000359960550	336695469	/nfs/dbraw/zinc/69/54/69/336695469.db2.gz	RGQCABDRMYEJPC-OAHLLOKOSA-N	0	3	301.434	2.732	20	30		DFEDHN
C=CCCCC(=O)N(CCN(C)C)Cc1cccc(OC)c1	ZINC000361079016	336737558	/nfs/dbraw/zinc/73/75/58/336737558.db2.gz	DVKGDCSLENGNFW-UHFFFAOYSA-N	0	3	304.434	2.942	20	30		DFEDHN
C=CCSc1ccccc1C(=O)NCCNc1ccncc1	ZINC000362839620	336813090	/nfs/dbraw/zinc/81/30/90/336813090.db2.gz	IIEFBWIYSZSDBL-UHFFFAOYSA-N	0	3	313.426	2.624	20	30		DFEDHN
C[C@H](NCc1cnc2n1CCCC2)c1ccc(OCC#N)cc1	ZINC000367435704	336822734	/nfs/dbraw/zinc/82/27/34/336822734.db2.gz	CLUYJVGWSHXXKS-AWEZNQCLSA-N	0	3	310.401	2.973	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N1CCC(c2c[nH]c3cc(C)ccc32)CC1	ZINC000368979359	336856021	/nfs/dbraw/zinc/85/60/21/336856021.db2.gz	LEJWRJWGDIUYCV-OAHLLOKOSA-N	0	3	323.440	2.794	20	30		DFEDHN
C#CCCN1CCC(c2nc(-c3ccccc3OC)no2)CC1	ZINC000370068754	336876972	/nfs/dbraw/zinc/87/69/72/336876972.db2.gz	BBUNVUHOONPDRT-UHFFFAOYSA-N	0	3	311.385	2.948	20	30		DFEDHN
C#CCCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000370426016	336884817	/nfs/dbraw/zinc/88/48/17/336884817.db2.gz	VULUYCABYDANIF-ZWKOTPCHSA-N	0	3	313.445	2.707	20	30		DFEDHN
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2N[C@@H](CCO)c2ccco2)O1	ZINC000373238491	336954209	/nfs/dbraw/zinc/95/42/09/336954209.db2.gz	BDKDETZJUSUWEK-SUJAAXHWSA-N	0	3	304.390	2.533	20	30		DFEDHN
C#CCCCCC(=O)Nc1ccnc(OC2CCN(C)CC2)c1	ZINC000373584347	336965866	/nfs/dbraw/zinc/96/58/66/336965866.db2.gz	UFWQKBMLNYZEHL-UHFFFAOYSA-N	0	3	315.417	2.687	20	30		DFEDHN
COCCSCCCN1CCC(C#N)(c2ccccn2)CC1	ZINC000374331058	336987370	/nfs/dbraw/zinc/98/73/70/336987370.db2.gz	XVXHQPCREKBFDE-UHFFFAOYSA-N	0	3	319.474	2.708	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000375257734	337006847	/nfs/dbraw/zinc/00/68/47/337006847.db2.gz	IVFSMFCBFWATSC-IAGOWNOFSA-N	0	3	322.474	2.565	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000305089112	337013133	/nfs/dbraw/zinc/01/31/33/337013133.db2.gz	OXOXSBLPHJNCKB-JKSUJKDBSA-N	0	3	318.465	2.511	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc(-c3cncnc3)cc2)C1=O	ZINC000375638757	337015377	/nfs/dbraw/zinc/01/53/77/337015377.db2.gz	JDKDZOFGHLKEQK-KDOFPFPSSA-N	0	3	322.412	2.581	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000375682786	337016366	/nfs/dbraw/zinc/01/63/66/337016366.db2.gz	KTQWRAAUIJEEGT-HNNXBMFYSA-N	0	3	307.825	2.560	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1	ZINC000376699230	337039707	/nfs/dbraw/zinc/03/97/07/337039707.db2.gz	HDIYLRJBIPENPL-SVFBPWRDSA-N	0	3	322.452	2.566	20	30		DFEDHN
C#CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000376777150	337040790	/nfs/dbraw/zinc/04/07/90/337040790.db2.gz	GJMPDQQUEKIROF-GOEBONIOSA-N	0	3	302.393	2.566	20	30		DFEDHN
COC(=O)[C@@]1(C(F)(F)F)CCN(CCCC(C)(C)C#N)C1	ZINC000377395584	337051689	/nfs/dbraw/zinc/05/16/89/337051689.db2.gz	FQXDWTQWUBKKRA-CYBMUJFWSA-N	0	3	306.328	2.744	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1	ZINC000378251572	337068804	/nfs/dbraw/zinc/06/88/04/337068804.db2.gz	RTIWASZEJKSVOC-HOTGVXAUSA-N	0	3	316.470	2.764	20	30		DFEDHN
CCCCCCCC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1	ZINC000378368341	337071038	/nfs/dbraw/zinc/07/10/38/337071038.db2.gz	GXQUMBXAHSQQKJ-QGZVFWFLSA-N	0	3	323.525	2.974	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000378573820	337075928	/nfs/dbraw/zinc/07/59/28/337075928.db2.gz	ABPWPRFYABUGCN-PMPSAXMXSA-N	0	3	309.454	2.653	20	30		DFEDHN
C=CCNC(=O)CNC1CC(c2ccc(Br)cc2)C1	ZINC000194154231	337081923	/nfs/dbraw/zinc/08/19/23/337081923.db2.gz	GTDBFOGOKFRHAG-UHFFFAOYSA-N	0	3	323.234	2.587	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2F)CC1	ZINC000171694705	337088284	/nfs/dbraw/zinc/08/82/84/337088284.db2.gz	MVNDSEYYJOFBSP-LBPRGKRZSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OC)CC1	ZINC000171739047	337089017	/nfs/dbraw/zinc/08/90/17/337089017.db2.gz	YKUGLNHSDRPJAZ-UHFFFAOYSA-N	0	3	303.406	2.776	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2CCc3nnc(C(C)C)n3C2)cc1	ZINC000172117409	337089844	/nfs/dbraw/zinc/08/98/44/337089844.db2.gz	IFASXCRGTLGLFW-MRXNPFEDSA-N	0	3	324.428	2.518	20	30		DFEDHN
C#CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000172939310	337132528	/nfs/dbraw/zinc/13/25/28/337132528.db2.gz	PMCUCMPAXVARFR-MRXNPFEDSA-N	0	3	302.393	2.567	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000173132444	337134482	/nfs/dbraw/zinc/13/44/82/337134482.db2.gz	HQRSAMNDMKNFFN-SFHVURJKSA-N	0	3	316.445	2.923	20	30		DFEDHN
C#CCCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000175011734	337144049	/nfs/dbraw/zinc/14/40/49/337144049.db2.gz	PDVVNBKQLRSEGE-MRXNPFEDSA-N	0	3	313.445	2.925	20	30		DFEDHN
C=CCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000175523642	337147745	/nfs/dbraw/zinc/14/77/45/337147745.db2.gz	FBQOCKXPMFGMST-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CN1C1CC1	ZINC000177102859	337154255	/nfs/dbraw/zinc/15/42/55/337154255.db2.gz	BTBMTRSBFKXJHE-GXTWGEPZSA-N	0	3	315.442	2.657	20	30		DFEDHN
N#CC1(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CCCCC1	ZINC000177283902	337156683	/nfs/dbraw/zinc/15/66/83/337156683.db2.gz	XKHWYHRORITWFR-BBWFWOEESA-N	0	3	315.461	2.793	20	30		DFEDHN
CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n(C)n1	ZINC000177588521	337157969	/nfs/dbraw/zinc/15/79/69/337157969.db2.gz	QDPVPBMDCKCRDU-LLVKDONJSA-N	0	3	307.357	2.910	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCCC[C@H](SC)C2)CC1	ZINC000179215246	337168352	/nfs/dbraw/zinc/16/83/52/337168352.db2.gz	KMIYFENOHAKYAD-HNNXBMFYSA-N	0	3	311.495	2.564	20	30		DFEDHN
COC(=O)C[C@H]1CCCN1Cc1cccc(OCCCC#N)c1	ZINC000179890366	337172508	/nfs/dbraw/zinc/17/25/08/337172508.db2.gz	BXICKXPQPVCUJX-MRXNPFEDSA-N	0	3	316.401	2.897	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1ccc(Br)cc1	ZINC000181293864	337181081	/nfs/dbraw/zinc/18/10/81/337181081.db2.gz	QEPSSPTUWOIDSI-ZDUSSCGKSA-N	0	3	314.223	2.697	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccn2C2CCCC2)CC1	ZINC000181621598	337183429	/nfs/dbraw/zinc/18/34/29/337183429.db2.gz	CHUGYAOMLXUFAU-UHFFFAOYSA-N	0	3	301.434	2.983	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000183910742	337195433	/nfs/dbraw/zinc/19/54/33/337195433.db2.gz	XNQYEPPIMCKWHX-WBVHZDCISA-N	0	3	317.408	2.846	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1OC	ZINC000185218751	337203481	/nfs/dbraw/zinc/20/34/81/337203481.db2.gz	RVRWREIUVDVSNA-QGZVFWFLSA-N	0	3	305.418	2.995	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000583245028	337286248	/nfs/dbraw/zinc/28/62/48/337286248.db2.gz	OQVFZPPAJPYSMI-KLICCBINSA-N	0	3	311.429	2.735	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCO[C@@H]1C)C(C)C	ZINC000191697657	337300633	/nfs/dbraw/zinc/30/06/33/337300633.db2.gz	HNSVWHOZFTXGKH-IKGGRYGDSA-N	0	3	308.466	2.616	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1	ZINC000583715055	337317600	/nfs/dbraw/zinc/31/76/00/337317600.db2.gz	RDBDPWQNQGZGKL-CMKODMSKSA-N	0	3	324.424	2.929	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@H]2CNCCC2(F)F)CCCC1(C)C	ZINC000418749947	337395384	/nfs/dbraw/zinc/39/53/84/337395384.db2.gz	CYCWNUQSNKTSIL-QWHCGFSZSA-N	0	3	315.408	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)nc1)C(C)C	ZINC000042393401	337407010	/nfs/dbraw/zinc/40/70/10/337407010.db2.gz	AXFBWIVYVVKQRR-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(C(=O)NCCC)CC1	ZINC000125395510	337411380	/nfs/dbraw/zinc/41/13/80/337411380.db2.gz	ZWTZRTCFGJYZIS-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)NCC1(C#N)CCC1)c1ccco1	ZINC000419513613	337486506	/nfs/dbraw/zinc/48/65/06/337486506.db2.gz	ZNBBBEOZYOKGSY-KGLIPLIRSA-N	0	3	318.421	2.702	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1	ZINC000248884319	337568158	/nfs/dbraw/zinc/56/81/58/337568158.db2.gz	LPEYOKIQMRWYKH-PVAVHDDUSA-N	0	3	315.392	2.599	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000572244421	337598554	/nfs/dbraw/zinc/59/85/54/337598554.db2.gz	BEECAYYVIDPESS-UHFFFAOYSA-N	0	3	311.429	2.846	20	30		DFEDHN
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)NC(C)(C)CC	ZINC000274591184	337660263	/nfs/dbraw/zinc/66/02/63/337660263.db2.gz	JLVJHPJOKIGOQB-ZDUSSCGKSA-N	0	3	317.433	2.708	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000424061457	337730944	/nfs/dbraw/zinc/73/09/44/337730944.db2.gz	IYWIZUISDFWLIB-GFCCVEGCSA-N	0	3	318.377	2.909	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccccc1OC1CCCC1	ZINC000424093221	337733132	/nfs/dbraw/zinc/73/31/32/337733132.db2.gz	RBWUVMXAFHBZDL-AWEZNQCLSA-N	0	3	301.390	2.968	20	30		DFEDHN
CCCCN(Cc1ccccc1F)C(=O)[C@H](N)CCCC#N	ZINC000424112740	337740236	/nfs/dbraw/zinc/74/02/36/337740236.db2.gz	KRDXETXRFQQKPL-MRXNPFEDSA-N	0	3	305.397	2.976	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1	ZINC000424117775	337741772	/nfs/dbraw/zinc/74/17/72/337741772.db2.gz	BVJQZSFOISWEGG-GOEBONIOSA-N	0	3	317.458	2.648	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1	ZINC000424122699	337747724	/nfs/dbraw/zinc/74/77/24/337747724.db2.gz	JQIWWLWBKCPRSL-INIZCTEOSA-N	0	3	303.381	2.585	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1cccc(F)c1	ZINC000424122791	337747762	/nfs/dbraw/zinc/74/77/62/337747762.db2.gz	JFWOXHSELHXMNP-KCXAZCMYSA-N	0	3	303.381	2.756	20	30		DFEDHN
CC1CCN(c2cccc(NC(=O)[C@H](N)CCCC#N)c2)CC1	ZINC000424143910	337768666	/nfs/dbraw/zinc/76/86/66/337768666.db2.gz	KDJVCUDGHYFITK-QGZVFWFLSA-N	0	3	314.433	2.883	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F	ZINC000424160711	337786246	/nfs/dbraw/zinc/78/62/46/337786246.db2.gz	WVBAILLFNLOTPC-VXGBXAGGSA-N	0	3	305.344	2.635	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCc2cccnc21	ZINC000424178769	337799414	/nfs/dbraw/zinc/79/94/14/337799414.db2.gz	XIYRVYOMQKTHSA-HZPDHXFCSA-N	0	3	314.433	2.719	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(C(=O)c3ccccc3)CC2)CC1	ZINC000528342059	337800937	/nfs/dbraw/zinc/80/09/37/337800937.db2.gz	OVSGDAJDKNHHCY-KRWDZBQOSA-N	0	3	312.413	2.636	20	30		DFEDHN
Cc1nc(COc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)no1	ZINC000424192025	337805035	/nfs/dbraw/zinc/80/50/35/337805035.db2.gz	IIJHGTCISGMLSQ-LSDHHAIUSA-N	0	3	312.373	2.739	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000045814943	337830065	/nfs/dbraw/zinc/83/00/65/337830065.db2.gz	VGKBWPCCGRYQEW-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)CCN1CCCCCC1	ZINC000424531679	337852149	/nfs/dbraw/zinc/85/21/49/337852149.db2.gz	NCFJJYVWOKKNPM-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC(F)(F)C2)CC1	ZINC000426376142	338029594	/nfs/dbraw/zinc/02/95/94/338029594.db2.gz	CVEQXLWRISGWMU-AWEZNQCLSA-N	0	3	315.408	2.904	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000428541582	338055743	/nfs/dbraw/zinc/05/57/43/338055743.db2.gz	FELRSHCOWYBDBB-WMLDXEAASA-N	0	3	302.418	2.794	20	30		DFEDHN
C=CCCC1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1	ZINC000428537939	338055792	/nfs/dbraw/zinc/05/57/92/338055792.db2.gz	WCDXFKWTLRPNBE-KRWDZBQOSA-N	0	3	314.429	2.938	20	30		DFEDHN
COC1(C)CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000428642970	338057509	/nfs/dbraw/zinc/05/75/09/338057509.db2.gz	PGSXBGILYLXCKX-MRXNPFEDSA-N	0	3	300.402	2.786	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2ccc(F)cc2)no1	ZINC000429728118	338088699	/nfs/dbraw/zinc/08/86/99/338088699.db2.gz	YABGQPGNQIIMAE-UHFFFAOYSA-N	0	3	318.396	2.815	20	30		DFEDHN
COc1ccccc1NC(=O)C[C@@H](C)NCC1(CC#N)CC1	ZINC000430753810	338113767	/nfs/dbraw/zinc/11/37/67/338113767.db2.gz	LQHHGBKZCVFKEC-CYBMUJFWSA-N	0	3	301.390	2.696	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(CC#N)cc1	ZINC000431986733	338143210	/nfs/dbraw/zinc/14/32/10/338143210.db2.gz	NQTZNSOBNYELIN-HKUYNNGSSA-N	0	3	324.428	2.723	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(n2ccnc2)CC1	ZINC000433340374	338193280	/nfs/dbraw/zinc/19/32/80/338193280.db2.gz	DSUKLWTYTXQLJR-KRWDZBQOSA-N	0	3	322.412	2.819	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CN1C1CC1	ZINC000433388798	338194505	/nfs/dbraw/zinc/19/45/05/338194505.db2.gz	VPCRTKUKPBEHHW-OIISXLGYSA-N	0	3	311.429	2.500	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C(C)C)C(C)C	ZINC000433797746	338202247	/nfs/dbraw/zinc/20/22/47/338202247.db2.gz	BLSISBWIBAQCNG-KZNAEPCWSA-N	0	3	322.493	2.862	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](c2cccnc2)C(C)C)CC1	ZINC000435699279	338245759	/nfs/dbraw/zinc/24/57/59/338245759.db2.gz	ZJXPMFYPPWQNIA-QGZVFWFLSA-N	0	3	301.434	2.588	20	30		DFEDHN
CC(C#N)C(=O)N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1	ZINC000435979414	338254933	/nfs/dbraw/zinc/25/49/33/338254933.db2.gz	DHXYAOOAKMYXBH-GFCCVEGCSA-N	0	3	316.792	2.762	20	30		DFEDHN
CC(C#N)C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1	ZINC000436020141	338256059	/nfs/dbraw/zinc/25/60/59/338256059.db2.gz	PRCRGIWYGFJJQY-ZDUSSCGKSA-N	0	3	316.792	2.725	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCCCC1	ZINC000437625604	338316525	/nfs/dbraw/zinc/31/65/25/338316525.db2.gz	DHDBDEHMTMZFIF-JKSUJKDBSA-N	0	3	323.481	2.531	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000440256874	338384642	/nfs/dbraw/zinc/38/46/42/338384642.db2.gz	DNBDLKADVGVRNQ-RDJZCZTQSA-N	0	3	314.433	2.767	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000440256875	338384673	/nfs/dbraw/zinc/38/46/73/338384673.db2.gz	DNBDLKADVGVRNQ-WBVHZDCISA-N	0	3	314.433	2.767	20	30		DFEDHN
C=C(C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000156918080	338391119	/nfs/dbraw/zinc/39/11/19/338391119.db2.gz	IVLPSCSBZKLNQS-UHFFFAOYSA-N	0	3	319.474	2.976	20	30		DFEDHN
CC(C)NC(=O)Nc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000442723509	338429095	/nfs/dbraw/zinc/42/90/95/338429095.db2.gz	ZGBJQPMZLOSSPR-GDBMZVCRSA-N	0	3	300.406	2.998	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)NCCC)c1nc2c(s1)CCCC2	ZINC000449162171	338598230	/nfs/dbraw/zinc/59/82/30/338598230.db2.gz	ICBUHUGTGPCXRJ-LBPRGKRZSA-N	0	3	307.463	2.929	20	30		DFEDHN
CC1(C#N)CCC(NCc2cc(S(C)(=O)=O)ccc2F)CC1	ZINC000449308599	338611500	/nfs/dbraw/zinc/61/15/00/338611500.db2.gz	YJZBOJKHFLCRFZ-UHFFFAOYSA-N	0	3	324.421	2.791	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000458672663	339003063	/nfs/dbraw/zinc/00/30/63/339003063.db2.gz	YWQYSZGRERPALD-MRXNPFEDSA-N	0	3	319.474	2.724	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000458806187	339005910	/nfs/dbraw/zinc/00/59/10/339005910.db2.gz	VTFWLFAJISJLCO-DLBZAZTESA-N	0	3	314.433	2.767	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000458909913	339008482	/nfs/dbraw/zinc/00/84/82/339008482.db2.gz	YVBYVYUECDZFFS-SWLSCSKDSA-N	0	3	307.463	2.885	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC#Cc1ccccc1	ZINC000469443504	339289436	/nfs/dbraw/zinc/28/94/36/339289436.db2.gz	XMGSEBPTXKUOBJ-LJQANCHMSA-N	0	3	302.377	2.927	20	30		DFEDHN
O=C(NCC#Cc1ccccc1)[C@H]1CCCCN1C1CCCC1	ZINC000469444314	339289600	/nfs/dbraw/zinc/28/96/00/339289600.db2.gz	JKXJLRCHVQPGKJ-LJQANCHMSA-N	0	3	310.441	2.951	20	30		DFEDHN
C=CCCCCN[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000471885161	339356685	/nfs/dbraw/zinc/35/66/85/339356685.db2.gz	JUCLBEVBTNEHIA-ZDUSSCGKSA-N	0	3	311.223	2.921	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000489066026	339801269	/nfs/dbraw/zinc/80/12/69/339801269.db2.gz	DQABELGMPJOWES-KRWDZBQOSA-N	0	3	311.429	2.577	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)c1ccccc1OCCN(C)C	ZINC000490083092	339825632	/nfs/dbraw/zinc/82/56/32/339825632.db2.gz	FNWXBLVGETUYAS-UHFFFAOYSA-N	0	3	304.434	2.959	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1	ZINC000490575211	339834767	/nfs/dbraw/zinc/83/47/67/339834767.db2.gz	ONDTZYBVWLXGDX-BPQIPLTHSA-N	0	3	302.462	2.807	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3c(ccnc3OC)c2)CC1	ZINC000491373752	339859843	/nfs/dbraw/zinc/85/98/43/339859843.db2.gz	OGXRRHWRCFDBJK-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
C=C(C)COCCNCc1cnc(-c2ccccc2OC)nc1	ZINC000491400674	339860908	/nfs/dbraw/zinc/86/09/08/339860908.db2.gz	LYSZJZIBUOCZMA-UHFFFAOYSA-N	0	3	313.401	2.835	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)CC1	ZINC000491454353	339862800	/nfs/dbraw/zinc/86/28/00/339862800.db2.gz	YFIMBPNSSOOZBP-USSHROBNSA-N	0	3	302.462	2.663	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000491637015	339869959	/nfs/dbraw/zinc/86/99/59/339869959.db2.gz	WKBCMGZRRGXPJZ-YOEHRIQHSA-N	0	3	301.434	2.515	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2cccc(Cl)c2)CC1	ZINC000491937926	339887276	/nfs/dbraw/zinc/88/72/76/339887276.db2.gz	KQNHMLZRXAQYRG-BQYQJAHWSA-N	0	3	316.832	2.957	20	30		DFEDHN
N#CCC1(CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000496182921	340000018	/nfs/dbraw/zinc/00/00/18/340000018.db2.gz	YHWOZPJQZWJPGK-MRXNPFEDSA-N	0	3	313.401	2.681	20	30		DFEDHN
C=CCN1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496211353	340000696	/nfs/dbraw/zinc/00/06/96/340000696.db2.gz	DWTHWMNDPUVWLV-JKSUJKDBSA-N	0	3	324.465	2.957	20	30		DFEDHN
C=CCOCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496959702	340017024	/nfs/dbraw/zinc/01/70/24/340017024.db2.gz	WCACWZLAWPMLHY-AWEZNQCLSA-N	0	3	304.390	2.839	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H]2CCCC[C@H]2OCCC(C)C)C1=O	ZINC000499787134	340044700	/nfs/dbraw/zinc/04/47/00/340044700.db2.gz	SKHWYRGVORCWRD-BRWVUGGUSA-N	0	3	308.466	2.737	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)[C@H](C)CC(=O)Nc1ccccc1	ZINC000504192266	340142691	/nfs/dbraw/zinc/14/26/91/340142691.db2.gz	VGHODWZLLVASLL-ZIAGYGMSSA-N	0	3	301.390	2.802	20	30		DFEDHN
Cc1nnc(NC(=O)C(C#N)c2nc(C(C)C)cs2)s1	ZINC000505449297	340168764	/nfs/dbraw/zinc/16/87/64/340168764.db2.gz	MUXUBIMBECKUNR-QMMMGPOBSA-N	0	3	307.404	2.672	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCSCC#N)C1	ZINC000173871429	340376350	/nfs/dbraw/zinc/37/63/50/340376350.db2.gz	ODOSOGWWPSSBTK-CYBMUJFWSA-N	0	3	313.467	2.622	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1ccoc1)C(C)C	ZINC000193860217	340584777	/nfs/dbraw/zinc/58/47/77/340584777.db2.gz	IHKWRDNAFDVOBI-MRXNPFEDSA-N	0	3	305.422	2.777	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1	ZINC000067163354	340855297	/nfs/dbraw/zinc/85/52/97/340855297.db2.gz	KWLZAXTVLQBKRP-KBAYOESNSA-N	0	3	304.478	2.909	20	30		DFEDHN
C=CCC1(c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CCC1	ZINC000564269440	341049445	/nfs/dbraw/zinc/04/94/45/341049445.db2.gz	XQUPARHZLZOMDO-CHWSQXEVSA-N	0	3	300.406	2.923	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC(CC#N)CC2)c1	ZINC000543808669	341059964	/nfs/dbraw/zinc/05/99/64/341059964.db2.gz	VATKQVFPLKSWPZ-KRWDZBQOSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CCc1ccc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)cc1	ZINC000545842101	341143086	/nfs/dbraw/zinc/14/30/86/341143086.db2.gz	DLTUNHKARVNWBZ-GJZGRUSLSA-N	0	3	321.384	2.658	20	30		DFEDHN
C[C@@H](C#N)CN[C@@H](C)CCCCN1C(=O)c2ccccc2C1=O	ZINC000546035328	341152296	/nfs/dbraw/zinc/15/22/96/341152296.db2.gz	USMGQQLGMFODJI-KBPBESRZSA-N	0	3	313.401	2.591	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccncn1	ZINC000546859571	341183917	/nfs/dbraw/zinc/18/39/17/341183917.db2.gz	LTQAOQBFQUEEEP-HZPDHXFCSA-N	0	3	323.352	2.524	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000133889648	341197753	/nfs/dbraw/zinc/19/77/53/341197753.db2.gz	OZBQOQSVMDVQAX-RDJZCZTQSA-N	0	3	314.433	2.672	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cnn(CC)c1)C(C)C	ZINC000076059680	341198448	/nfs/dbraw/zinc/19/84/48/341198448.db2.gz	AWJBDTPICRLRFE-MRXNPFEDSA-N	0	3	319.453	2.723	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C1CCOCC1)C(C)C	ZINC000134167669	341208164	/nfs/dbraw/zinc/20/81/64/341208164.db2.gz	YRCJCXMTXIDNDD-SJLPKXTDSA-N	0	3	322.493	2.864	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](OC)C1)C(C)C	ZINC000076554055	341209520	/nfs/dbraw/zinc/20/95/20/341209520.db2.gz	VKIQUXTVVLJITD-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)CN1Cc1ccccc1	ZINC000134891995	341226108	/nfs/dbraw/zinc/22/61/08/341226108.db2.gz	QJJDLFVSTBGQRG-NVXWUHKLSA-N	0	3	311.429	2.850	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1cccc(SCC#N)c1	ZINC000079531285	341260721	/nfs/dbraw/zinc/26/07/21/341260721.db2.gz	WNZFBXZWGYPQBP-AWEZNQCLSA-N	0	3	317.458	2.906	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000549655378	341300080	/nfs/dbraw/zinc/30/00/80/341300080.db2.gz	UKSHYTNZVIWZQV-HNNXBMFYSA-N	0	3	303.454	2.652	20	30		DFEDHN
C[C@@H](NC[C@@H](C#N)CCC#N)C1CCN(CC(F)(F)F)CC1	ZINC000549997633	341308354	/nfs/dbraw/zinc/30/83/54/341308354.db2.gz	OIXVHGFSCBSWNP-CHWSQXEVSA-N	0	3	316.371	2.682	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000248442124	341377986	/nfs/dbraw/zinc/37/79/86/341377986.db2.gz	KPCGDWJPCHIUPN-VNHYZAJKSA-N	0	3	320.462	2.590	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C#N	ZINC000249064286	341393089	/nfs/dbraw/zinc/39/30/89/341393089.db2.gz	ZBSBKKYSLCQSRL-WBVHZDCISA-N	0	3	316.449	2.602	20	30		DFEDHN
C=C(C)[C@H](NCCN1CCOC[C@H]1C)c1ccc(F)c(F)c1	ZINC000249359879	341396647	/nfs/dbraw/zinc/39/66/47/341396647.db2.gz	AEWCVAFVNANGML-DYVFJYSZSA-N	0	3	310.388	2.892	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N(CC)CC)cc1	ZINC000554219505	341447033	/nfs/dbraw/zinc/44/70/33/341447033.db2.gz	VPCQAWOSKZGSMI-RHSMWYFYSA-N	0	3	301.434	2.908	20	30		DFEDHN
CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000566092980	341547511	/nfs/dbraw/zinc/54/75/11/341547511.db2.gz	UNTVFMRAGVHXJY-HIFRSBDPSA-N	0	3	303.406	2.672	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnccc1NC(CC)CC	ZINC000566453430	341558618	/nfs/dbraw/zinc/55/86/18/341558618.db2.gz	XTDAQGBCPCMIST-CJNGLKHVSA-N	0	3	303.406	2.634	20	30		DFEDHN
CC(C)C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccs1	ZINC000567227624	341589897	/nfs/dbraw/zinc/58/98/97/341589897.db2.gz	SYLOBVRJPAJTGP-LSDHHAIUSA-N	0	3	309.479	2.631	20	30		DFEDHN
CN(CCC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccncc1	ZINC000567501580	341610906	/nfs/dbraw/zinc/61/09/06/341610906.db2.gz	LEIATBNBXOJGGT-SFHVURJKSA-N	0	3	314.433	2.887	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1cccc(Cl)c1Cl	ZINC000568381158	341669219	/nfs/dbraw/zinc/66/92/19/341669219.db2.gz	CNOLPRRMJZOUON-NSHDSACASA-N	0	3	300.189	2.631	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3ccccc3C2)CC1	ZINC000574211330	341752122	/nfs/dbraw/zinc/75/21/22/341752122.db2.gz	OBOLWWKZCXGWAM-GOSISDBHSA-N	0	3	312.457	2.948	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425842862	500766505	/nfs/dbraw/zinc/76/65/05/500766505.db2.gz	JPWSMMLDCZXHRD-UONOGXRCSA-N	0	3	320.462	2.514	20	30		DFEDHN
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCc1cccc(C#N)c1	ZINC000331717056	533755199	/nfs/dbraw/zinc/75/51/99/533755199.db2.gz	OYPBFPPLZRALCZ-JLSDUUJJSA-N	0	3	311.429	2.827	20	30		DFEDHN
COc1cc(CNC[C@H](Cc2ccccc2)OC)ccc1C#N	ZINC000294923949	533883077	/nfs/dbraw/zinc/88/30/77/533883077.db2.gz	YZIWNBPURPFZCT-SFHVURJKSA-N	0	3	310.397	2.914	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1O	ZINC000330706071	526671544	/nfs/dbraw/zinc/67/15/44/526671544.db2.gz	LLKMQXADADVATO-IAGOWNOFSA-N	0	3	302.418	2.666	20	30		DFEDHN
Cc1nnc(C2CCN(Cc3cn4ccccc4c3C#N)CC2)[nH]1	ZINC000366004633	526782028	/nfs/dbraw/zinc/78/20/28/526782028.db2.gz	ITYMUJDYQCNROV-UHFFFAOYSA-N	0	3	320.400	2.617	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000189494744	536473768	/nfs/dbraw/zinc/47/37/68/536473768.db2.gz	HWTLFUZHMWSKSN-SJLPKXTDSA-N	0	3	323.440	2.533	20	30		DFEDHN
CC(C)(NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000299631183	527294726	/nfs/dbraw/zinc/29/47/26/527294726.db2.gz	LDBCUXUCOSKZOG-KRWDZBQOSA-N	0	3	310.397	2.823	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)c(C)n1	ZINC000331978400	528476494	/nfs/dbraw/zinc/47/64/94/528476494.db2.gz	MDXXFDWWNBGHGI-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
CC1(C)CCC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000299352446	528994816	/nfs/dbraw/zinc/99/48/16/528994816.db2.gz	PGVLCCAWBYRKSN-CHWSQXEVSA-N	0	3	303.431	2.893	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](Nc2ncc(Br)cc2C#N)C1	ZINC000297371256	529098278	/nfs/dbraw/zinc/09/82/78/529098278.db2.gz	CUAARLMMGXNIDI-GXFFZTMASA-N	0	3	323.238	2.856	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@]1(CC)CCOC1)C(C)C	ZINC000682851048	545926881	/nfs/dbraw/zinc/92/68/81/545926881.db2.gz	MEPVPRVOQWMMPT-FUHWJXTLSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCC1(C(=O)Nc2ccnc(OCCN(C)C)c2)CCC1	ZINC000683041389	545965421	/nfs/dbraw/zinc/96/54/21/545965421.db2.gz	UVTPQIPOWNOQJN-UHFFFAOYSA-N	0	3	303.406	2.707	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1ccccc1-c1nnn[n-]1	ZINC000735408651	598865913	/nfs/dbraw/zinc/86/59/13/598865913.db2.gz	QNCZYSADZNNVPH-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1ccccc1-c1nnn[n-]1	ZINC000735408651	598865914	/nfs/dbraw/zinc/86/59/14/598865914.db2.gz	QNCZYSADZNNVPH-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1ccccc1-c1nn[n-]n1	ZINC000735408651	598865915	/nfs/dbraw/zinc/86/59/15/598865915.db2.gz	QNCZYSADZNNVPH-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1ccccc1-c1nn[n-]n1	ZINC000735408651	598865917	/nfs/dbraw/zinc/86/59/17/598865917.db2.gz	QNCZYSADZNNVPH-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CC[N@@H+](CCCOC(C)C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000735419540	598715994	/nfs/dbraw/zinc/71/59/94/598715994.db2.gz	UVAXDBMKHZIPOA-UHFFFAOYSA-N	0	3	315.421	2.670	20	30		DFEDHN
C=CC[N@H+](CCCOC(C)C)Cc1cccc(-c2nnn[n-]2)c1	ZINC000735419540	598715996	/nfs/dbraw/zinc/71/59/96/598715996.db2.gz	UVAXDBMKHZIPOA-UHFFFAOYSA-N	0	3	315.421	2.670	20	30		DFEDHN
C=CC[N@@H+](CCCOC(C)C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000735419540	598715998	/nfs/dbraw/zinc/71/59/98/598715998.db2.gz	UVAXDBMKHZIPOA-UHFFFAOYSA-N	0	3	315.421	2.670	20	30		DFEDHN
C=CC[N@H+](CCCOC(C)C)Cc1cccc(-c2nn[n-]n2)c1	ZINC000735419540	598716000	/nfs/dbraw/zinc/71/60/00/598716000.db2.gz	UVAXDBMKHZIPOA-UHFFFAOYSA-N	0	3	315.421	2.670	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CC=C(c2ccc(F)cc2)CC1	ZINC000272875548	210266836	/nfs/dbraw/zinc/26/68/36/210266836.db2.gz	PNJLEKAWSUYVEV-QGZVFWFLSA-N	0	3	323.433	2.952	20	30		DFEDHN
C=CCOc1ccc(CN[C@]2(CCO)CCOC2)cc1Cl	ZINC000278461529	214169511	/nfs/dbraw/zinc/16/95/11/214169511.db2.gz	FBGUWVDUVSJNHB-MRXNPFEDSA-N	0	3	311.809	2.536	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1	ZINC000181286501	199275480	/nfs/dbraw/zinc/27/54/80/199275480.db2.gz	RRSGKPMGHNIDPR-HUUCEWRRSA-N	0	3	307.397	2.537	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000278642661	214297245	/nfs/dbraw/zinc/29/72/45/214297245.db2.gz	NZRGGENRNOENCE-FUHWJXTLSA-N	0	3	304.434	2.513	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCC(C(F)F)CC2)cc1	ZINC000307876167	231093978	/nfs/dbraw/zinc/09/39/78/231093978.db2.gz	GCOXCJZRXXBWHH-UHFFFAOYSA-N	0	3	307.344	2.864	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000323766209	231219780	/nfs/dbraw/zinc/21/97/80/231219780.db2.gz	XQWDMFIUSWWWTG-WMLDXEAASA-N	0	3	315.417	2.512	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)n(C(C)C)n2)CC1	ZINC000448922485	398345784	/nfs/dbraw/zinc/34/57/84/398345784.db2.gz	QVGYBOHUKINPJR-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccsc1	ZINC000065931097	398351310	/nfs/dbraw/zinc/35/13/10/398351310.db2.gz	UUJTVTQMGXMHKB-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H]1CCCN1c1cccnn1	ZINC000591909722	398351872	/nfs/dbraw/zinc/35/18/72/398351872.db2.gz	DDSQYLCBUMQYAB-KRWDZBQOSA-N	0	3	324.428	2.800	20	30		DFEDHN
N#Cc1cc2cccnc2nc1NC[C@H]1CCCCN1C1CC1	ZINC000596211124	398358697	/nfs/dbraw/zinc/35/86/97/398358697.db2.gz	QZLXPIBDFFNPLD-MRXNPFEDSA-N	0	3	307.401	2.930	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CCC[C@@H]1CN1CCCCC1	ZINC000596199194	398355161	/nfs/dbraw/zinc/35/51/61/398355161.db2.gz	FQBCTETXDCZEHY-QGZVFWFLSA-N	0	3	321.428	2.956	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000066308774	398368340	/nfs/dbraw/zinc/36/83/40/398368340.db2.gz	LZGQUCSAIHTYHJ-AEFFLSMTSA-N	0	3	316.445	2.921	20	30		DFEDHN
CSCCNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000237506589	398370508	/nfs/dbraw/zinc/37/05/08/398370508.db2.gz	UHALTYWFILOEOJ-UHFFFAOYSA-N	0	3	300.431	2.916	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000578595184	398374411	/nfs/dbraw/zinc/37/44/11/398374411.db2.gz	LAGGGPIFKXJBTR-MAZHCROVSA-N	0	3	322.836	2.840	20	30		DFEDHN
N#C[C@H](CCc1ccccc1)C(=O)NC1CCN(C2CC2)CC1	ZINC000579428953	398380645	/nfs/dbraw/zinc/38/06/45/398380645.db2.gz	PQZQKFHRJGIFNM-INIZCTEOSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3ccc(OC)cc3[nH]2)CC1	ZINC000592068607	398379223	/nfs/dbraw/zinc/37/92/23/398379223.db2.gz	CJZWDKXGVPCKHZ-UHFFFAOYSA-N	0	3	313.401	2.557	20	30		DFEDHN
CN(C)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1ccccc1	ZINC000010747528	398379296	/nfs/dbraw/zinc/37/92/96/398379296.db2.gz	FURNXURUVYNQLA-LJQANCHMSA-N	0	3	321.424	2.910	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N[C@H]1CCCN2CCCC[C@@H]12	ZINC000596298430	398380213	/nfs/dbraw/zinc/38/02/13/398380213.db2.gz	XBKDOLVUYXEUSD-HOTGVXAUSA-N	0	3	307.401	2.930	20	30		DFEDHN
COc1ccc2ncc(C#N)c(NC[C@H]3CCN3C(C)(C)C)c2c1	ZINC000596309060	398382457	/nfs/dbraw/zinc/38/24/57/398382457.db2.gz	NWQRTGAJQVJLGT-CQSZACIVSA-N	0	3	324.428	2.822	20	30		DFEDHN
Cc1nccnc1[C@H](C)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000364733273	282224239	/nfs/dbraw/zinc/22/42/39/282224239.db2.gz	JCMXTHABEYZYPU-RDJZCZTQSA-N	0	3	321.428	2.976	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C#N)cc1	ZINC000373101370	282226772	/nfs/dbraw/zinc/22/67/72/282226772.db2.gz	XIPOKNQEJUNVID-MOPGFXCFSA-N	0	3	319.408	2.906	20	30		DFEDHN
C=CCc1cc(CN2CCN3CCCC[C@@H]3C2)cc(OC)c1O	ZINC000092616063	185329163	/nfs/dbraw/zinc/32/91/63/185329163.db2.gz	DLNWWDDQCCOWPF-QGZVFWFLSA-N	0	3	316.445	2.799	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2	ZINC000015304844	398395274	/nfs/dbraw/zinc/39/52/74/398395274.db2.gz	CMZQXPNKHJDPCP-UHFFFAOYSA-N	0	3	324.380	2.840	20	30		DFEDHN
CC1(C)CCC[C@H]1[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000592154239	398394097	/nfs/dbraw/zinc/39/40/97/398394097.db2.gz	NHHSSOWXSHZPNI-CABCVRRESA-N	0	3	303.450	2.697	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2)C1	ZINC000067208610	282272755	/nfs/dbraw/zinc/27/27/55/282272755.db2.gz	DIRUUOQVXHFICG-KRWDZBQOSA-N	0	3	305.381	2.691	20	30		DFEDHN
COc1ccc(CN2CC3(C[C@H]2C)CCOCC3)cc1C#N	ZINC000592182470	398398125	/nfs/dbraw/zinc/39/81/25/398398125.db2.gz	AZHBRMASPSIHPE-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000596436405	398412373	/nfs/dbraw/zinc/41/23/73/398412373.db2.gz	JKAXBVUPRVFQTE-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(C#N)cc1	ZINC000181651738	199333450	/nfs/dbraw/zinc/33/34/50/199333450.db2.gz	ATFGDSHDZOPTBY-CQSZACIVSA-N	0	3	323.396	2.735	20	30		DFEDHN
CN(CC1CN(C)C1)c1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000596455062	398416559	/nfs/dbraw/zinc/41/65/59/398416559.db2.gz	ZTQQCXSLEPATSW-UHFFFAOYSA-N	0	3	320.318	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CCC)c2ccccn2)CC1	ZINC000592521514	398440282	/nfs/dbraw/zinc/44/02/82/398440282.db2.gz	WFTDKNRFHCTDPA-QGZVFWFLSA-N	0	3	316.449	2.872	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)CC1	ZINC000592498551	398434726	/nfs/dbraw/zinc/43/47/26/398434726.db2.gz	URCXSJMGECKUIN-BBRMVZONSA-N	0	3	317.433	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(Cc2ccc(C)o2)C2CC2)CC1	ZINC000592524183	398442272	/nfs/dbraw/zinc/44/22/72/398442272.db2.gz	VMGVLHZQGYCGRB-UHFFFAOYSA-N	0	3	317.433	2.912	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H](c3cccnc3)C3CC3)n2c1	ZINC000585766782	398446196	/nfs/dbraw/zinc/44/61/96/398446196.db2.gz	BCSFTANMYSXJHL-SFHVURJKSA-N	0	3	303.369	2.842	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1	ZINC000585794428	398447544	/nfs/dbraw/zinc/44/75/44/398447544.db2.gz	UBGFLVAHBYBAEM-YRMAPFEESA-N	0	3	324.428	2.558	20	30		DFEDHN
CCOC[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1c1cnn(C)c1	ZINC000585793174	398447572	/nfs/dbraw/zinc/44/75/72/398447572.db2.gz	PKLDSERQDBRTSA-OALUTQOASA-N	0	3	324.428	2.544	20	30		DFEDHN
N#CCN1CCC(N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1	ZINC000586789912	398460525	/nfs/dbraw/zinc/46/05/25/398460525.db2.gz	OVGKHXFXNXKFGQ-MRXNPFEDSA-N	0	3	301.438	2.609	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1	ZINC000286759931	219150690	/nfs/dbraw/zinc/15/06/90/219150690.db2.gz	HKKMOCJHBKTNPZ-CXAGYDPISA-N	0	3	307.401	2.589	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@H]1CCN(CC)C1	ZINC000596708611	398483160	/nfs/dbraw/zinc/48/31/60/398483160.db2.gz	OVBVRJOYGRLGIO-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
C=CCCSCCNC(=O)N1CCCN(C(C)(C)C)CC1	ZINC000596722228	398485796	/nfs/dbraw/zinc/48/57/96/398485796.db2.gz	QSXLJLVBGNAZQN-UHFFFAOYSA-N	0	3	313.511	2.812	20	30		DFEDHN
C[C@H](CN(Cc1ccnc(C#N)c1)[C@@H](C)CO)c1ccccc1	ZINC000588214981	398490158	/nfs/dbraw/zinc/49/01/58/398490158.db2.gz	VECKYKIEFGCAAF-CVEARBPZSA-N	0	3	309.413	2.940	20	30		DFEDHN
COc1ccc(Br)cc1C1(NC(=O)C(C)C#N)CC1	ZINC000592824605	398490571	/nfs/dbraw/zinc/49/05/71/398490571.db2.gz	PADXOKZHJPERNB-VIFPVBQESA-N	0	3	323.190	2.723	20	30		DFEDHN
CCCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCN(C)C1	ZINC000592829498	398491938	/nfs/dbraw/zinc/49/19/38/398491938.db2.gz	OMFLKZLAURCRBS-ZWKOTPCHSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596764742	398497303	/nfs/dbraw/zinc/49/73/03/398497303.db2.gz	HBUSBUXGWXCWTQ-VQHPVUNQSA-N	0	3	318.465	2.727	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)CSc1cc(C#N)ccn1	ZINC000303377299	398498723	/nfs/dbraw/zinc/49/87/23/398498723.db2.gz	PFLVNZAEQHQUJI-INIZCTEOSA-N	0	3	313.426	2.538	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000030532681	398503410	/nfs/dbraw/zinc/50/34/10/398503410.db2.gz	MTXPCQDMQRCQHD-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000596803975	398505152	/nfs/dbraw/zinc/50/51/52/398505152.db2.gz	YALPZESGNOGORR-AWEZNQCLSA-N	0	3	300.406	2.861	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1	ZINC000030626854	398505226	/nfs/dbraw/zinc/50/52/26/398505226.db2.gz	HHNDNWAKIQXCQP-UHFFFAOYSA-N	0	3	300.402	2.608	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)COc1cccc(F)c1C#N	ZINC000305318843	398505761	/nfs/dbraw/zinc/50/57/61/398505761.db2.gz	NPLKIQQVZJMYCA-OAHLLOKOSA-N	0	3	314.360	2.569	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308180556	398512921	/nfs/dbraw/zinc/51/29/21/398512921.db2.gz	ORSRYHQLTPJWFB-INIZCTEOSA-N	0	3	321.428	2.845	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@H](C)N(C)Cc2ccccc2)n1	ZINC000308173171	398513136	/nfs/dbraw/zinc/51/31/36/398513136.db2.gz	XAXZBNCLLYWNIM-AWEZNQCLSA-N	0	3	309.417	2.843	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596869476	398518698	/nfs/dbraw/zinc/51/86/98/398518698.db2.gz	QQCHOHSOAXKIOW-UHFFFAOYSA-N	0	3	318.465	2.730	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)nc(-c3ccccn3)n2)CC1	ZINC000068702535	398520517	/nfs/dbraw/zinc/52/05/17/398520517.db2.gz	XVMBMQLHZITWAZ-UHFFFAOYSA-N	0	3	309.417	2.909	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596910261	398527778	/nfs/dbraw/zinc/52/77/78/398527778.db2.gz	YXLOIWFGLZKGHB-NWDGAFQWSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC(C)[C@H](NCc1ccc(F)c(C#N)c1)[C@H](O)C(F)(F)F	ZINC000589161928	398531465	/nfs/dbraw/zinc/53/14/65/398531465.db2.gz	AGXRAQQLGQPZPY-STQMWFEESA-N	0	3	304.287	2.735	20	30		DFEDHN
C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC[C@H]1C	ZINC000032734692	398537608	/nfs/dbraw/zinc/53/76/08/398537608.db2.gz	AETNIODTHJLADC-CVEARBPZSA-N	0	3	313.445	2.870	20	30		DFEDHN
Cc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1C#N	ZINC000320350925	398547456	/nfs/dbraw/zinc/54/74/56/398547456.db2.gz	FMADPKLBFRWLLN-RDJZCZTQSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(CC(N)=O)cc1	ZINC000589344828	398547538	/nfs/dbraw/zinc/54/75/38/398547538.db2.gz	MXNXQJJMXUIBGQ-IBGZPJMESA-N	0	3	319.408	2.753	20	30		DFEDHN
N#CC1(c2ccc(CN3CCS[C@H]4COCC[C@@H]43)cc2)CC1	ZINC000597028410	398550567	/nfs/dbraw/zinc/55/05/67/398550567.db2.gz	YDOUWZBRDOYQNL-IRXDYDNUSA-N	0	3	314.454	2.948	20	30		DFEDHN
N#CC1(c2ccc(CN3CCS[C@@H]4COCC[C@@H]43)cc2)CC1	ZINC000597028407	398550868	/nfs/dbraw/zinc/55/08/68/398550868.db2.gz	YDOUWZBRDOYQNL-DLBZAZTESA-N	0	3	314.454	2.948	20	30		DFEDHN
CCOCCO[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000597027937	398551064	/nfs/dbraw/zinc/55/10/64/398551064.db2.gz	FXUZOJYUXZXPJR-SFHVURJKSA-N	0	3	314.429	2.869	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(C#N)n1)N(C)C	ZINC000589518575	398558322	/nfs/dbraw/zinc/55/83/22/398558322.db2.gz	WNTQARKYURGHDW-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)CCN1CCCCC1	ZINC000593150932	398558899	/nfs/dbraw/zinc/55/88/99/398558899.db2.gz	ATDUPJZLPOZRGH-UHFFFAOYSA-N	0	3	300.406	2.816	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(C)C2)c1	ZINC000589739989	398573700	/nfs/dbraw/zinc/57/37/00/398573700.db2.gz	GXDCTYGCGIMSGB-OAHLLOKOSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1=O	ZINC000337178687	398575448	/nfs/dbraw/zinc/57/54/48/398575448.db2.gz	KNIZPOWJCIHARU-KBXCAEBGSA-N	0	3	324.428	2.618	20	30		DFEDHN
CN(C)CCN(Cc1cccc(O)c1)C(=O)CCCCCC#N	ZINC000589842368	398579757	/nfs/dbraw/zinc/57/97/57/398579757.db2.gz	GJUKJEBIFMBNKV-UHFFFAOYSA-N	0	3	317.433	2.756	20	30		DFEDHN
CC(C)N1CCCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000069817956	398585881	/nfs/dbraw/zinc/58/58/81/398585881.db2.gz	UTYWINAYVNJGCL-HNNXBMFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
CC(C)(CNC(=O)NCC1(C#N)CCCC1)N1CCCCC1	ZINC000593294188	398591549	/nfs/dbraw/zinc/59/15/49/398591549.db2.gz	IJHNWTKVDWJLAT-UHFFFAOYSA-N	0	3	306.454	2.634	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(Cc2ccccc2)C1	ZINC000070790892	398598805	/nfs/dbraw/zinc/59/88/05/398598805.db2.gz	SXSZXCFUPWDAOO-HNNXBMFYSA-N	0	3	323.356	2.548	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)CC1(C#N)CC1)c1ccsc1	ZINC000590154425	398601087	/nfs/dbraw/zinc/60/10/87/398601087.db2.gz	BKXBZDRRWNHGKR-CQSZACIVSA-N	0	3	305.447	2.941	20	30		DFEDHN
C[C@@]1(CNC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1	ZINC000590331875	398614669	/nfs/dbraw/zinc/61/46/69/398614669.db2.gz	SDSXXNKIOLVTJK-SFHVURJKSA-N	0	3	311.429	2.851	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C)C1	ZINC000043228917	398616209	/nfs/dbraw/zinc/61/62/09/398616209.db2.gz	OGXGYLCGTFJAQK-KGLIPLIRSA-N	0	3	300.406	2.800	20	30		DFEDHN
C[C@H](CC#N)N(C)Cc1ccc(OCCN2CCCC2)cc1	ZINC000093091154	398618844	/nfs/dbraw/zinc/61/88/44/398618844.db2.gz	ITBVUACVUCTVMQ-MRXNPFEDSA-N	0	3	301.434	2.895	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000593446441	398631989	/nfs/dbraw/zinc/63/19/89/398631989.db2.gz	PHKPHVRBYHFDBY-SFHVURJKSA-N	0	3	313.445	2.703	20	30		DFEDHN
Cn1cc([C@H](NCCCC(C)(C)C#N)C2(CO)CCC2)cn1	ZINC000590602539	398638612	/nfs/dbraw/zinc/63/86/12/398638612.db2.gz	MSKGTYKIBTYUDB-HNNXBMFYSA-N	0	3	304.438	2.543	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1C#N	ZINC000183865822	186225018	/nfs/dbraw/zinc/22/50/18/186225018.db2.gz	YBBAIZHWVHSBGJ-INIZCTEOSA-N	0	3	316.401	2.542	20	30		DFEDHN
CC1([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)OCCO1	ZINC000183879985	186227300	/nfs/dbraw/zinc/22/73/00/186227300.db2.gz	HFRWEORXNAZABF-OAHLLOKOSA-N	0	3	304.365	2.672	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)CC#N	ZINC000597518680	398654981	/nfs/dbraw/zinc/65/49/81/398654981.db2.gz	BKOFTFJXCJJALF-NVXWUHKLSA-N	0	3	301.434	2.809	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)CC#N	ZINC000597518682	398655075	/nfs/dbraw/zinc/65/50/75/398655075.db2.gz	BKOFTFJXCJJALF-WBVHZDCISA-N	0	3	301.434	2.809	20	30		DFEDHN
CC(C)[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000171923313	198008451	/nfs/dbraw/zinc/00/84/51/198008451.db2.gz	YQGSEPMZDZAEOC-HNNXBMFYSA-N	0	3	301.434	2.741	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1	ZINC000381078757	398659544	/nfs/dbraw/zinc/65/95/44/398659544.db2.gz	SAIIJVXEXWZTFD-QXCFYTAISA-N	0	3	311.429	2.705	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000096703320	398661337	/nfs/dbraw/zinc/66/13/37/398661337.db2.gz	ADUYQWBHTYMNCC-KRWDZBQOSA-N	0	3	308.385	2.983	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1	ZINC000277218006	213373879	/nfs/dbraw/zinc/37/38/79/213373879.db2.gz	RHMBWPJZXLECEW-LJQANCHMSA-N	0	3	322.412	2.656	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)cc1	ZINC000172154488	198047776	/nfs/dbraw/zinc/04/77/76/198047776.db2.gz	VAWZQCJFXQHULI-KRWDZBQOSA-N	0	3	314.433	2.622	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000597603798	398667623	/nfs/dbraw/zinc/66/76/23/398667623.db2.gz	DXMZTGZCXASQGM-MAUKXSAKSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1	ZINC000172622315	198126542	/nfs/dbraw/zinc/12/65/42/198126542.db2.gz	UVGZKVXIPSXJJK-UHFFFAOYSA-N	0	3	304.825	2.681	20	30		DFEDHN
COc1ccc(CN(C)[C@@H](C)CCO)cc1OCCCC#N	ZINC000593694740	398672014	/nfs/dbraw/zinc/67/20/14/398672014.db2.gz	RGSRFSZHOAKPMG-AWEZNQCLSA-N	0	3	306.406	2.580	20	30		DFEDHN
Cc1n[nH]c(C)c1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593693335	398672090	/nfs/dbraw/zinc/67/20/90/398672090.db2.gz	UXCZUQBAVITURA-UHFFFAOYSA-N	0	3	323.444	2.652	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)cc1F)CO2	ZINC000590777859	398672838	/nfs/dbraw/zinc/67/28/38/398672838.db2.gz	BJDYTIBELKYRFW-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
CN(C)C[C@@H](CNC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000593702913	398674307	/nfs/dbraw/zinc/67/43/07/398674307.db2.gz	SLAAMCCWFWNMKR-CQSZACIVSA-N	0	3	319.836	2.795	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1	ZINC000172759079	198145852	/nfs/dbraw/zinc/14/58/52/198145852.db2.gz	XAJSRMSZUVAOGI-KRWDZBQOSA-N	0	3	312.457	2.696	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nnc1-c1ccc(OC)cc1	ZINC000072645698	191208646	/nfs/dbraw/zinc/20/86/46/191208646.db2.gz	QRKLNXLMLUKCJL-UHFFFAOYSA-N	0	3	318.446	2.793	20	30		DFEDHN
Cn1c(=O)ccc2c1CCC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21	ZINC000593724986	398677898	/nfs/dbraw/zinc/67/78/98/398677898.db2.gz	DGNWSIUUCMQFLP-ROUUACIJSA-N	0	3	319.408	2.911	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)Cc2cccs2)CC1	ZINC000173199793	198194592	/nfs/dbraw/zinc/19/45/92/198194592.db2.gz	KKTITFYIUUDWJS-AWEZNQCLSA-N	0	3	321.490	2.876	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc(OC(C)C)cc2)C1=O	ZINC000281207521	334977521	/nfs/dbraw/zinc/97/75/21/334977521.db2.gz	NOGSSNRWECGRAK-RHSMWYFYSA-N	0	3	302.418	2.911	20	30		DFEDHN
CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000597710420	398683609	/nfs/dbraw/zinc/68/36/09/398683609.db2.gz	MEINVJXFMKXXJJ-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000173444520	198215409	/nfs/dbraw/zinc/21/54/09/198215409.db2.gz	ZPPBXRUNOGQNRB-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCN(c3ccncc3)CC2)c1	ZINC000590859349	398688024	/nfs/dbraw/zinc/68/80/24/398688024.db2.gz	ZDYYEVLWRYZLIN-UHFFFAOYSA-N	0	3	321.384	2.616	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1	ZINC000593789397	398688468	/nfs/dbraw/zinc/68/84/68/398688468.db2.gz	GKDHBULHXOXPDG-JTQLQIEISA-N	0	3	312.200	2.802	20	30		DFEDHN
COc1cccc(C(=O)NCCN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000173870652	198262795	/nfs/dbraw/zinc/26/27/95/198262795.db2.gz	JXNYICWHQSQNQC-AWEZNQCLSA-N	0	3	323.396	2.647	20	30		DFEDHN
CN1CC[C@@H]2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C[C@@H]21	ZINC000590872574	398691465	/nfs/dbraw/zinc/69/14/65/398691465.db2.gz	SUSKQHRUDYCESQ-MFKMUULPSA-N	0	3	324.211	2.641	20	30		DFEDHN
CCN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCCOC1	ZINC000593816278	398692657	/nfs/dbraw/zinc/69/26/57/398692657.db2.gz	VYCJVPCGZCLEIG-SJORKVTESA-N	0	3	300.402	2.786	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1	ZINC000590874322	398692752	/nfs/dbraw/zinc/69/27/52/398692752.db2.gz	NIMWILLMJMOKQG-QRVBRYPASA-N	0	3	319.408	2.888	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](CCNCc2ccc(C#N)o2)C1	ZINC000174368333	198325535	/nfs/dbraw/zinc/32/55/35/198325535.db2.gz	NYWKDCPUXCAAEA-ZDUSSCGKSA-N	0	3	319.405	2.888	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@](C)(O)c2ccco2)cc1OC	ZINC000174532671	198348018	/nfs/dbraw/zinc/34/80/18/198348018.db2.gz	AQUJBDCHYCSRKZ-GOSISDBHSA-N	0	3	317.385	2.850	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000597860545	398706313	/nfs/dbraw/zinc/70/63/13/398706313.db2.gz	OHPYNWDTDBHBIJ-WMLDXEAASA-N	0	3	313.445	2.726	20	30		DFEDHN
N#CCCCCC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000593972637	398711869	/nfs/dbraw/zinc/71/18/69/398711869.db2.gz	IAQCFZCRCXZCCN-UHFFFAOYSA-N	0	3	323.506	2.938	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1	ZINC000108508480	398712722	/nfs/dbraw/zinc/71/27/22/398712722.db2.gz	AHLCNYKDMNKFSH-INIZCTEOSA-N	0	3	315.417	2.857	20	30		DFEDHN
COCC1(NC(=O)C(C#N)CCc2ccccc2)CCCC1	ZINC000597886839	398713074	/nfs/dbraw/zinc/71/30/74/398713074.db2.gz	VCQKWFXKKVTFEZ-MRXNPFEDSA-N	0	3	300.402	2.834	20	30		DFEDHN
C=CCOCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1	ZINC000594017147	398722116	/nfs/dbraw/zinc/72/21/16/398722116.db2.gz	SBILLBHKGYTAQC-JKSUJKDBSA-N	0	3	323.820	2.731	20	30		DFEDHN
CCCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1OC	ZINC000276994563	213227256	/nfs/dbraw/zinc/22/72/56/213227256.db2.gz	FKMZUEGEXVOQDS-UHFFFAOYSA-N	0	3	313.401	2.984	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594044387	398730176	/nfs/dbraw/zinc/73/01/76/398730176.db2.gz	PIIUKUSHWNJIHO-YJBOKZPZSA-N	0	3	313.445	2.678	20	30		DFEDHN
C[C@@H]1CN(c2nccnc2C#N)CCN1CCC1CCCCC1	ZINC000332540375	235072361	/nfs/dbraw/zinc/07/23/61/235072361.db2.gz	KQCJMRFEOSTSHG-OAHLLOKOSA-N	0	3	313.449	2.829	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000597996203	398735166	/nfs/dbraw/zinc/73/51/66/398735166.db2.gz	ZAWPHNQLIIIFDX-JTQLQIEISA-N	0	3	312.200	2.802	20	30		DFEDHN
N#CCc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1	ZINC000594060592	398735705	/nfs/dbraw/zinc/73/57/05/398735705.db2.gz	VLQRXLDGKNBEKS-DLBZAZTESA-N	0	3	312.417	2.891	20	30		DFEDHN
CC(C)c1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000591241640	398741773	/nfs/dbraw/zinc/74/17/73/398741773.db2.gz	SBISUYUYXKOCIY-QAPCUYQASA-N	0	3	303.450	2.667	20	30		DFEDHN
CC(C)(CCN[C@H]1CCCc2cc(C#N)ccc21)S(C)(=O)=O	ZINC000591249817	398742751	/nfs/dbraw/zinc/74/27/51/398742751.db2.gz	OEUMLDOXNLQREO-INIZCTEOSA-N	0	3	320.458	2.739	20	30		DFEDHN
C[C@H]1COC2(CCC2)CN1C(=O)C(C#N)CCc1ccccc1	ZINC000598053644	398744620	/nfs/dbraw/zinc/74/46/20/398744620.db2.gz	FZKSPANIAPTFFK-DOTOQJQBSA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@@H]1COC2(CCC2)CN1C(=O)C(C#N)CCc1ccccc1	ZINC000598053647	398744717	/nfs/dbraw/zinc/74/47/17/398744717.db2.gz	FZKSPANIAPTFFK-WBVHZDCISA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1	ZINC000591311187	398747347	/nfs/dbraw/zinc/74/73/47/398747347.db2.gz	WOXGUDCMRNGEHX-KRWDZBQOSA-N	0	3	316.380	2.629	20	30		DFEDHN
N#CCc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1	ZINC000594115366	398747393	/nfs/dbraw/zinc/74/73/93/398747393.db2.gz	FLMOXKSYXVJPNI-DLBZAZTESA-N	0	3	312.417	2.891	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)s1	ZINC000364449584	283142632	/nfs/dbraw/zinc/14/26/32/283142632.db2.gz	RVODXOSNAPZROU-KRWDZBQOSA-N	0	3	309.394	2.716	20	30		DFEDHN
N#Cc1ccc(CNCc2ccccc2N2CCOCC2)cc1	ZINC000126705806	283146346	/nfs/dbraw/zinc/14/63/46/283146346.db2.gz	MHAWPMJURVUOTF-UHFFFAOYSA-N	0	3	307.397	2.685	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1	ZINC000594234223	398770562	/nfs/dbraw/zinc/77/05/62/398770562.db2.gz	JOUOZTURIMZGBF-CVEARBPZSA-N	0	3	313.445	2.585	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)O1	ZINC000598216051	398771963	/nfs/dbraw/zinc/77/19/63/398771963.db2.gz	YBZRICLVYTUCQR-PVAVHDDUSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCNC1	ZINC000591590291	398774603	/nfs/dbraw/zinc/77/46/03/398774603.db2.gz	QKEGTVKYJSABGU-LJQANCHMSA-N	0	3	321.380	2.707	20	30		DFEDHN
N#CC1CCC(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1	ZINC000594241580	398772766	/nfs/dbraw/zinc/77/27/66/398772766.db2.gz	DEPQAPZBGPNAKQ-BHUNQDJPSA-N	0	3	318.465	2.632	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O	ZINC000591611643	398776061	/nfs/dbraw/zinc/77/60/61/398776061.db2.gz	ATWUAUMVNODHIK-DLBZAZTESA-N	0	3	311.429	2.925	20	30		DFEDHN
CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000594257924	398776164	/nfs/dbraw/zinc/77/61/64/398776164.db2.gz	SNLWDXZJMULYFO-MJGOQNOKSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@]2(C#N)CCNC2)C1	ZINC000591640775	398778738	/nfs/dbraw/zinc/77/87/38/398778738.db2.gz	MVAOSFAQJLZRNR-VQIMIIECSA-N	0	3	311.429	2.710	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc(F)c1C#N	ZINC000598261953	398779660	/nfs/dbraw/zinc/77/96/60/398779660.db2.gz	JLEOYSQPNPWURS-ZDUSSCGKSA-N	0	3	303.381	2.548	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CNCc1cccc(C#N)c1	ZINC000048367681	398782375	/nfs/dbraw/zinc/78/23/75/398782375.db2.gz	PKWDVHUNSUYZIP-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)Nc1cccc(OCC#N)c1	ZINC000048509902	398784745	/nfs/dbraw/zinc/78/47/45/398784745.db2.gz	XQZGCLLUXXRAGH-CQSZACIVSA-N	0	3	316.405	2.585	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)CNc1cccc(CC#N)c1	ZINC000591776746	398786963	/nfs/dbraw/zinc/78/69/63/398786963.db2.gz	JQRAOUVYDIUZMC-LJQANCHMSA-N	0	3	309.413	2.657	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COCc1ccccc1	ZINC000591763966	398785614	/nfs/dbraw/zinc/78/56/14/398785614.db2.gz	UHVKLBJWIOTJKR-UYAOXDASSA-N	0	3	322.408	2.713	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000594390327	398791025	/nfs/dbraw/zinc/79/10/25/398791025.db2.gz	UZYNLKOTWMCYFD-UHFFFAOYSA-N	0	3	313.445	2.824	20	30		DFEDHN
COc1ccc(Cl)cc1CN(C)C(=O)[C@H](N)CCCCC#N	ZINC000594426161	398797720	/nfs/dbraw/zinc/79/77/20/398797720.db2.gz	POUCYJIANOHXCN-CQSZACIVSA-N	0	3	323.824	2.718	20	30		DFEDHN
COc1ccc(CC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594426765	398797737	/nfs/dbraw/zinc/79/77/37/398797737.db2.gz	GXPSNZIYKSWHLT-PBHICJAKSA-N	0	3	317.433	2.544	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCSC[C@@H]1c1ccccc1	ZINC000594425823	398798001	/nfs/dbraw/zinc/79/80/01/398798001.db2.gz	ATLXGRUWTFLVRC-JKSUJKDBSA-N	0	3	317.458	2.714	20	30		DFEDHN
CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594428465	398798909	/nfs/dbraw/zinc/79/89/09/398798909.db2.gz	MGASEUMAHIAJIU-ZIAGYGMSSA-N	0	3	305.447	2.995	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1	ZINC000594427016	398798969	/nfs/dbraw/zinc/79/89/69/398798969.db2.gz	FWOKZWOJDUBGBX-JKSUJKDBSA-N	0	3	303.381	2.900	20	30		DFEDHN
Cc1[nH]c2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2c1C	ZINC000594431582	398799619	/nfs/dbraw/zinc/79/96/19/398799619.db2.gz	ODYUOBRVJHDBHK-MRXNPFEDSA-N	0	3	312.417	2.812	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCOc2c(Cl)cccc21	ZINC000594431721	398800180	/nfs/dbraw/zinc/80/01/80/398800180.db2.gz	QEXZTADRGLWRMK-KGLIPLIRSA-N	0	3	321.808	2.691	20	30		DFEDHN
CCN(C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](C)C#N	ZINC000598363890	398800262	/nfs/dbraw/zinc/80/02/62/398800262.db2.gz	VZHCFZGLBXHVLS-QJPTWQEYSA-N	0	3	319.371	2.656	20	30		DFEDHN
COc1ccccc1C(C)(C)CNC(=O)[C@H](N)CCCCC#N	ZINC000594431741	398800560	/nfs/dbraw/zinc/80/05/60/398800560.db2.gz	QRCDHERLNPBNSD-OAHLLOKOSA-N	0	3	317.433	2.500	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@@H]1SCCc2ccccc21	ZINC000594433001	398800771	/nfs/dbraw/zinc/80/07/71/398800771.db2.gz	IYNAUUCYLHOZNU-HOTGVXAUSA-N	0	3	317.458	2.544	20	30		DFEDHN
COc1ccccc1CC(C)(C)NC(=O)[C@H](N)CCCCC#N	ZINC000594434295	398801141	/nfs/dbraw/zinc/80/11/41/398801141.db2.gz	MVINZKJFEUPTHB-OAHLLOKOSA-N	0	3	317.433	2.544	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccc(Cl)cc1	ZINC000594434194	398801159	/nfs/dbraw/zinc/80/11/59/398801159.db2.gz	XRRRFCMTIXOXLM-IUODEOHRSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc2c(cccc2Cl)[nH]1	ZINC000594434373	398801306	/nfs/dbraw/zinc/80/13/06/398801306.db2.gz	YEXJLRUJKVVQCF-SNVBAGLBSA-N	0	3	305.769	2.566	20	30		DFEDHN
CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)c(F)c1	ZINC000594433785	398801248	/nfs/dbraw/zinc/80/12/48/398801248.db2.gz	SPCMPGGVGIFAQZ-AWEZNQCLSA-N	0	3	309.360	2.727	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC(c2ccsc2)CC1	ZINC000594437470	398802529	/nfs/dbraw/zinc/80/25/29/398802529.db2.gz	NNZOQTRGCTUJHI-OAHLLOKOSA-N	0	3	305.447	2.865	20	30		DFEDHN
CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594441637	398803185	/nfs/dbraw/zinc/80/31/85/398803185.db2.gz	UAVNDRYRVPZPMT-LBPRGKRZSA-N	0	3	308.813	2.756	20	30		DFEDHN
Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H](N)CCCCC#N	ZINC000594444618	398803975	/nfs/dbraw/zinc/80/39/75/398803975.db2.gz	ABIGIBHRWBNRNM-AWEZNQCLSA-N	0	3	311.389	2.735	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)CCC(=O)OC(C)(C)C	ZINC000150925744	283271547	/nfs/dbraw/zinc/27/15/47/283271547.db2.gz	XFFZXAGMECSDQW-UHFFFAOYSA-N	0	3	304.390	2.601	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCCC#N	ZINC000594445565	398804472	/nfs/dbraw/zinc/80/44/72/398804472.db2.gz	HVHZAIVNCMJWEJ-IAGOWNOFSA-N	0	3	319.424	2.920	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1C	ZINC000594445748	398804513	/nfs/dbraw/zinc/80/45/13/398804513.db2.gz	LHZGONOKVDGEPF-CVEARBPZSA-N	0	3	317.433	2.680	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000594445669	398804665	/nfs/dbraw/zinc/80/46/65/398804665.db2.gz	JTYYJHWFGKUPGN-AVGNSLFASA-N	0	3	319.371	2.883	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(CC)CC	ZINC000594446508	398804916	/nfs/dbraw/zinc/80/49/16/398804916.db2.gz	UQODIFFZSSDEEE-OWCLPIDISA-N	0	3	323.481	2.840	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(CCC(F)(F)F)CC1CC1	ZINC000594446526	398804943	/nfs/dbraw/zinc/80/49/43/398804943.db2.gz	UWKCBHRWIABSAK-LBPRGKRZSA-N	0	3	305.344	2.589	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445107	398804951	/nfs/dbraw/zinc/80/49/51/398804951.db2.gz	PDHSMKDUTSOAJM-OAUYIBNBSA-N	0	3	317.408	2.977	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCC(F)(F)CC1	ZINC000594456001	398805836	/nfs/dbraw/zinc/80/58/36/398805836.db2.gz	HEGOMCDTILYJSF-WCQYABFASA-N	0	3	301.381	2.728	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1F	ZINC000594447228	398805345	/nfs/dbraw/zinc/80/53/45/398805345.db2.gz	WAGBMZSSJYJYNL-NSHDSACASA-N	0	3	315.295	2.777	20	30		DFEDHN
Cc1c(NC(=O)[C@H](N)CCCCC#N)cnn1C1CCCC1	ZINC000594445221	398804772	/nfs/dbraw/zinc/80/47/72/398804772.db2.gz	IIJHTVRJDQLEBJ-CQSZACIVSA-N	0	3	303.410	2.656	20	30		DFEDHN
CSCc1cc(F)ccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594446106	398804861	/nfs/dbraw/zinc/80/48/61/398804861.db2.gz	PKPHEWHSBCIJRA-HNNXBMFYSA-N	0	3	323.437	2.716	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F	ZINC000594445419	398804871	/nfs/dbraw/zinc/80/48/71/398804871.db2.gz	FGTASKDQXIFMMO-NWDGAFQWSA-N	0	3	305.344	2.635	20	30		DFEDHN
Cc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594457279	398806552	/nfs/dbraw/zinc/80/65/52/398806552.db2.gz	XWFPOZGJYOVXFW-WBVHZDCISA-N	0	3	301.434	2.796	20	30		DFEDHN
CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594496536	398810201	/nfs/dbraw/zinc/81/02/01/398810201.db2.gz	MYQVXXJOKVKLKO-KBPBESRZSA-N	0	3	301.434	2.881	20	30		DFEDHN
CCc1nnc2n1C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)CC2	ZINC000594502503	398811425	/nfs/dbraw/zinc/81/14/25/398811425.db2.gz	JKOROSMBPYVFMG-INIZCTEOSA-N	0	3	323.444	2.746	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000594505875	398812290	/nfs/dbraw/zinc/81/22/90/398812290.db2.gz	DLUNSYCDYXKVKB-BBWFWOEESA-N	0	3	301.386	2.784	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCOC[C@H]2CCCO2)cc1	ZINC000594499220	398810831	/nfs/dbraw/zinc/81/08/31/398810831.db2.gz	BLWGMRHXCXNGPU-QGZVFWFLSA-N	0	3	302.418	2.773	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1	ZINC000594499594	398810844	/nfs/dbraw/zinc/81/08/44/398810844.db2.gz	HBFGTRXIXZHJRQ-CQSZACIVSA-N	0	3	300.324	2.891	20	30		DFEDHN
C[C@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1	ZINC000594508953	398812914	/nfs/dbraw/zinc/81/29/14/398812914.db2.gz	FOSMSQJNELHREW-XQLPTFJDSA-N	0	3	319.424	2.846	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)CC1	ZINC000179450102	199037291	/nfs/dbraw/zinc/03/72/91/199037291.db2.gz	IYJQOQWGZUSJJE-HNAYVOBHSA-N	0	3	310.441	2.771	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCc2ccco2)cc1	ZINC000598439679	398813674	/nfs/dbraw/zinc/81/36/74/398813674.db2.gz	SEFXDWGPMCJLEJ-INIZCTEOSA-N	0	3	307.353	2.583	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1	ZINC000179467845	199041247	/nfs/dbraw/zinc/04/12/47/199041247.db2.gz	WYWUBZIIWMKYMZ-KRWDZBQOSA-N	0	3	310.401	2.517	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000598504632	398825292	/nfs/dbraw/zinc/82/52/92/398825292.db2.gz	IOVXLWNAJWJPRN-SCLBCKFNSA-N	0	3	316.401	2.909	20	30		DFEDHN
CCC(C)(C)N1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1	ZINC000594592313	398825615	/nfs/dbraw/zinc/82/56/15/398825615.db2.gz	ULKYIPLLDGPJGY-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594597969	398827438	/nfs/dbraw/zinc/82/74/38/398827438.db2.gz	FOVYSWUVBOEAJB-RDJZCZTQSA-N	0	3	307.401	2.930	20	30		DFEDHN
N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-]	ZINC000594602747	398829425	/nfs/dbraw/zinc/82/94/25/398829425.db2.gz	SECLBQTVBIKWIU-HUUCEWRRSA-N	0	3	300.362	2.895	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCSC1	ZINC000179928327	199095179	/nfs/dbraw/zinc/09/51/79/199095179.db2.gz	SLHARRJDFBXITR-INIZCTEOSA-N	0	3	312.442	2.896	20	30		DFEDHN
N#Cc1csc(CNC2CCN(CC(F)(F)F)CC2)c1	ZINC000177693846	315984782	/nfs/dbraw/zinc/98/47/82/315984782.db2.gz	UHAMIUOFAHTGOW-UHFFFAOYSA-N	0	3	303.353	2.736	20	30		DFEDHN
CC1CCC(O)(CNC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000598561000	398832280	/nfs/dbraw/zinc/83/22/80/398832280.db2.gz	OYROGNSJHZKPBT-URSIVYNOSA-N	0	3	314.429	2.816	20	30		DFEDHN
COCCN(C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1	ZINC000598586654	398835693	/nfs/dbraw/zinc/83/56/93/398835693.db2.gz	KIEDRQNEAQCXOG-RDJZCZTQSA-N	0	3	304.434	2.997	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCCO[C@H](c2ccccc2)C1	ZINC000598591245	398837148	/nfs/dbraw/zinc/83/71/48/398837148.db2.gz	XITQTBOIBIYWIQ-IRXDYDNUSA-N	0	3	302.418	2.751	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1	ZINC000598592572	398837254	/nfs/dbraw/zinc/83/72/54/398837254.db2.gz	JHNYZPNCLXUUIQ-HUUCEWRRSA-N	0	3	324.465	2.731	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1	ZINC000598591798	398837343	/nfs/dbraw/zinc/83/73/43/398837343.db2.gz	ZZYHDOZNKCYDEB-UONOGXRCSA-N	0	3	307.463	2.932	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598592570	398837374	/nfs/dbraw/zinc/83/73/74/398837374.db2.gz	JHNYZPNCLXUUIQ-CABCVRRESA-N	0	3	324.465	2.731	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000180073048	199114775	/nfs/dbraw/zinc/11/47/75/199114775.db2.gz	FWZRVUNIDJZOKO-XHDPSFHLSA-N	0	3	324.346	2.884	20	30		DFEDHN
COc1ccc(OC)c([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598599560	398839376	/nfs/dbraw/zinc/83/93/76/398839376.db2.gz	JVGOEAJEJFIZHX-OLZOCXBDSA-N	0	3	306.406	2.655	20	30		DFEDHN
COc1cc(C)c([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602297	398839737	/nfs/dbraw/zinc/83/97/37/398839737.db2.gz	MXWHVYWGYRDCRG-KBPBESRZSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC[C@H](Oc2cccc(F)c2)C1	ZINC000598604749	398840680	/nfs/dbraw/zinc/84/06/80/398840680.db2.gz	VQJHOEQTPDXQQT-ZBFHGGJFSA-N	0	3	306.381	2.580	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000598604747	398840774	/nfs/dbraw/zinc/84/07/74/398840774.db2.gz	VQJHOEQTPDXQQT-GOEBONIOSA-N	0	3	306.381	2.580	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](Cn1cccn1)c1ccccc1	ZINC000598595305	398838408	/nfs/dbraw/zinc/83/84/08/398838408.db2.gz	HZFRECJFWROTOR-IRXDYDNUSA-N	0	3	312.417	2.515	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000598601288	398838951	/nfs/dbraw/zinc/83/89/51/398838951.db2.gz	SHTVNTODLALDSI-MRXNPFEDSA-N	0	3	317.389	2.860	20	30		DFEDHN
Cc1cnccc1OC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1	ZINC000598614708	398841352	/nfs/dbraw/zinc/84/13/52/398841352.db2.gz	RUYHDXJXUPGXJC-HNNXBMFYSA-N	0	3	317.433	2.534	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(F)(c2ccccn2)CC1	ZINC000598616347	398841715	/nfs/dbraw/zinc/84/17/15/398841715.db2.gz	VGJJDAWVTKXQQE-AWEZNQCLSA-N	0	3	305.397	2.643	20	30		DFEDHN
CCOc1ccc([C@@H](COC)NC[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598616541	398842076	/nfs/dbraw/zinc/84/20/76/398842076.db2.gz	WPQZUOVNKBAENX-DOTOQJQBSA-N	0	3	320.433	2.663	20	30		DFEDHN
C[C@H](NCC1(S(C)(=O)=O)CCCCC1)c1ccc(C#N)cc1	ZINC000594733256	398851154	/nfs/dbraw/zinc/85/11/54/398851154.db2.gz	ZZZPESYXFYJYAK-AWEZNQCLSA-N	0	3	320.458	2.956	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNC[C@@H](c1ccco1)N1CCCCC1	ZINC000598703114	398858111	/nfs/dbraw/zinc/85/81/11/398858111.db2.gz	CKENYWDUPWHZGO-HOTGVXAUSA-N	0	3	319.449	2.697	20	30		DFEDHN
CC[C@H](C)Oc1cc(CNC[C@H](O)CC(C)(C)C#N)ccn1	ZINC000598725266	398862004	/nfs/dbraw/zinc/86/20/04/398862004.db2.gz	WUNFNFKHDXVVDN-DZGCQCFKSA-N	0	3	305.422	2.649	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2cc(F)ccc21	ZINC000598725621	398862780	/nfs/dbraw/zinc/86/27/80/398862780.db2.gz	XOATVDWOWLWWFW-ZFWWWQNUSA-N	0	3	306.381	2.930	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2cc(F)c(F)c(F)c21	ZINC000598726802	398862874	/nfs/dbraw/zinc/86/28/74/398862874.db2.gz	BZYRSLRFSHXOIO-CMPLNLGQSA-N	0	3	312.335	2.982	20	30		DFEDHN
N#CC1(c2ccc(CNCCOC[C@H]3CCCO3)cc2)CC1	ZINC000594925868	398872932	/nfs/dbraw/zinc/87/29/32/398872932.db2.gz	QSLPEYCICRYMTE-QGZVFWFLSA-N	0	3	300.402	2.527	20	30		DFEDHN
Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000594941061	398877387	/nfs/dbraw/zinc/87/73/87/398877387.db2.gz	QIBXNJODWYMQDU-WMZOPIPTSA-N	0	3	322.412	2.595	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000594946592	398878800	/nfs/dbraw/zinc/87/88/00/398878800.db2.gz	QELQLPHRKPCJAZ-DLBZAZTESA-N	0	3	300.402	2.525	20	30		DFEDHN
CCn1nccc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(F)c1	ZINC000594991755	398888068	/nfs/dbraw/zinc/88/80/68/398888068.db2.gz	ORKXVFGYHJCEAB-NVXWUHKLSA-N	0	3	314.364	2.534	20	30		DFEDHN
CCOC(=O)c1[nH]c(C)c(CNCc2cccc(C#N)c2)c1C	ZINC000598954019	398896608	/nfs/dbraw/zinc/89/66/08/398896608.db2.gz	JXQDODGAMUNQHG-UHFFFAOYSA-N	0	3	311.385	2.970	20	30		DFEDHN
CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CCOCC1	ZINC000077356706	398900404	/nfs/dbraw/zinc/90/04/04/398900404.db2.gz	SATQYPCHERJCAI-UHFFFAOYSA-N	0	3	321.465	2.561	20	30		DFEDHN
COC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C1CCOCC1	ZINC000595072347	398902159	/nfs/dbraw/zinc/90/21/59/398902159.db2.gz	RZGNNFMBEPXJBC-PXAZEXFGSA-N	0	3	306.381	2.790	20	30		DFEDHN
Cn1cc(CN2CCC(C)(CO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000186947837	200036265	/nfs/dbraw/zinc/03/62/65/200036265.db2.gz	JKXLOFXVHGFEEK-UHFFFAOYSA-N	0	3	324.428	2.553	20	30		DFEDHN
C[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1F	ZINC000595098673	398904700	/nfs/dbraw/zinc/90/47/00/398904700.db2.gz	DPDIOYPFSTWCMK-GXTWGEPZSA-N	0	3	317.408	2.995	20	30		DFEDHN
C[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1F	ZINC000595098675	398904719	/nfs/dbraw/zinc/90/47/19/398904719.db2.gz	DPDIOYPFSTWCMK-OCCSQVGLSA-N	0	3	317.408	2.995	20	30		DFEDHN
C[C@@H](NC(=O)c1cccc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000187207491	200077548	/nfs/dbraw/zinc/07/75/48/200077548.db2.gz	VSRKXUQCICLVOM-KDOFPFPSSA-N	0	3	307.397	2.979	20	30		DFEDHN
Cc1cc(F)ccc1C[C@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000595255594	398913579	/nfs/dbraw/zinc/91/35/79/398913579.db2.gz	GCLDWHXLGHVBGG-XJKSGUPXSA-N	0	3	305.397	2.593	20	30		DFEDHN
C[C@]1(C#N)CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1	ZINC000595265106	398914162	/nfs/dbraw/zinc/91/41/62/398914162.db2.gz	JWVLMJIFZSNCFJ-PKOBYXMFSA-N	0	3	322.412	2.785	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000599057289	398914478	/nfs/dbraw/zinc/91/44/78/398914478.db2.gz	BOSFTTBAVSKBMH-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCc1ccc(C#N)cc1	ZINC000595295115	398918076	/nfs/dbraw/zinc/91/80/76/398918076.db2.gz	FHOURSXWQPISKP-SQNIBIBYSA-N	0	3	312.413	2.907	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCN(C2CCC2)C1=O	ZINC000599093000	398919866	/nfs/dbraw/zinc/91/98/66/398919866.db2.gz	LSISTVMAKJEVEG-QZTJIDSGSA-N	0	3	309.413	2.679	20	30		DFEDHN
CN(C)CCOc1ccccc1C(=O)Nc1cccc(C#N)c1	ZINC000150162213	398919877	/nfs/dbraw/zinc/91/98/77/398919877.db2.gz	KFWNUZLMBVCCAP-UHFFFAOYSA-N	0	3	309.369	2.751	20	30		DFEDHN
C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)N1	ZINC000599110039	398922568	/nfs/dbraw/zinc/92/25/68/398922568.db2.gz	CSLSGSDGAGWHMD-OKILXGFUSA-N	0	3	323.444	2.671	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCc1ccc(C#N)cc1	ZINC000595339640	398924194	/nfs/dbraw/zinc/92/41/94/398924194.db2.gz	ZOPNBCDRDOCESW-RTBURBONSA-N	0	3	313.445	2.822	20	30		DFEDHN
N#Cc1nc(-c2ccco2)oc1N1CCN(CC2CC=CC2)CC1	ZINC000595353665	398926481	/nfs/dbraw/zinc/92/64/81/398926481.db2.gz	JKLCZSSAVWDINP-UHFFFAOYSA-N	0	3	324.384	2.894	20	30		DFEDHN
COc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1C#N	ZINC000189111219	200349856	/nfs/dbraw/zinc/34/98/56/200349856.db2.gz	PMIBCORXZOPOSZ-SFHVURJKSA-N	0	3	300.402	2.958	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC([C@@H]2CCCO2)CC1	ZINC000189216449	200365231	/nfs/dbraw/zinc/36/52/31/200365231.db2.gz	WCWBVVGRXTUZDH-KRWDZBQOSA-N	0	3	300.402	2.958	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-]	ZINC000599165724	398932544	/nfs/dbraw/zinc/93/25/44/398932544.db2.gz	RLCQYOBFKQIOAA-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1N(C)C	ZINC000595403905	398932953	/nfs/dbraw/zinc/93/29/53/398932953.db2.gz	NFFLZILLUAOMPK-RBSFLKMASA-N	0	3	309.866	2.882	20	30		DFEDHN
C=CCC[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1	ZINC000189640640	200430547	/nfs/dbraw/zinc/43/05/47/200430547.db2.gz	JELYQWKWSKPJBZ-ROUUACIJSA-N	0	3	316.445	2.525	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1	ZINC000595428877	398936822	/nfs/dbraw/zinc/93/68/22/398936822.db2.gz	OXSNYWRSYFXMIX-OLMNPRSZSA-N	0	3	317.408	2.575	20	30		DFEDHN
C[C@@H](c1ccccc1F)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599263339	398943907	/nfs/dbraw/zinc/94/39/07/398943907.db2.gz	GICQQGGORFTMNA-GJZGRUSLSA-N	0	3	320.408	2.890	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599260965	398944013	/nfs/dbraw/zinc/94/40/13/398944013.db2.gz	MSRXQXDHDXOZRQ-INIZCTEOSA-N	0	3	322.836	2.843	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)CC1	ZINC000599260787	398944070	/nfs/dbraw/zinc/94/40/70/398944070.db2.gz	FMXUFMSWTJESLO-CABCVRRESA-N	0	3	320.458	2.784	20	30		DFEDHN
C=CCN(CC=C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1	ZINC000599267990	398944791	/nfs/dbraw/zinc/94/47/91/398944791.db2.gz	VJXIYAMDZKJGKR-UHFFFAOYSA-N	0	3	309.450	2.923	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2cccc(SCC#N)c2)[C@@H](C)C1	ZINC000155296202	398945604	/nfs/dbraw/zinc/94/56/04/398945604.db2.gz	ZNXNFFHKBYKNKT-BBRMVZONSA-N	0	3	317.458	2.761	20	30		DFEDHN
COc1cc(CN(C)C[C@@H](O)CC2(C#N)CC2)ccc1SC	ZINC000599276106	398946427	/nfs/dbraw/zinc/94/64/27/398946427.db2.gz	ZVDQPFVSWIUGOT-AWEZNQCLSA-N	0	3	320.458	2.904	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCC1(CN[C@H]2CCC[C@H]2C#N)CCC1	ZINC000595481437	398947050	/nfs/dbraw/zinc/94/70/50/398947050.db2.gz	HCOGHJSSOWKRKM-QAETUUGQSA-N	0	3	300.450	2.720	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)COCc2ccccc2)cc1C#N	ZINC000599292788	398949066	/nfs/dbraw/zinc/94/90/66/398949066.db2.gz	MYZFLRSWEOMEDK-HXUWFJFHSA-N	0	3	324.424	2.876	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599294170	398948767	/nfs/dbraw/zinc/94/87/67/398948767.db2.gz	BHBGFEYMHRZVNR-WBVHZDCISA-N	0	3	314.429	2.677	20	30		DFEDHN
Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)CC1(C#N)CC1)CCC2	ZINC000599327400	398954182	/nfs/dbraw/zinc/95/41/82/398954182.db2.gz	GUCTZAAANRFBLV-OCCSQVGLSA-N	0	3	305.447	2.816	20	30		DFEDHN
C[C@@H](NCCOc1ncccc1F)c1ccc(C#N)c(F)c1	ZINC000271963234	209342736	/nfs/dbraw/zinc/34/27/36/209342736.db2.gz	RTAVWVUMLHODNL-LLVKDONJSA-N	0	3	303.312	2.961	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCCC2CCCC2)c1	ZINC000158819105	398960679	/nfs/dbraw/zinc/96/06/79/398960679.db2.gz	XYBXDEPZXGADBW-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1	ZINC000599365395	398964038	/nfs/dbraw/zinc/96/40/38/398964038.db2.gz	AYZYAYNGKCKVHC-TZMCWYRMSA-N	0	3	304.438	2.652	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@H](CO)[C@H](C)c1ccccc1	ZINC000613390239	398968880	/nfs/dbraw/zinc/96/88/80/398968880.db2.gz	ZWCIVWPRBOEYBI-RDTXWAMCSA-N	0	3	310.397	2.821	20	30		DFEDHN
Cc1ccc(CN(C)[C@H](CC(N)=O)c2ccccc2)cc1C#N	ZINC000599390565	398971108	/nfs/dbraw/zinc/97/11/08/398971108.db2.gz	MYCGQSSUOKTUDH-GOSISDBHSA-N	0	3	307.397	2.915	20	30		DFEDHN
CN1CCN(CCc2ccc(C#N)cc2)[C@H](Cc2ccccc2)C1	ZINC000595563981	398973528	/nfs/dbraw/zinc/97/35/28/398973528.db2.gz	OVFUPCDMHUMUQX-OAQYLSRUSA-N	0	3	319.452	2.959	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3C[C@@H]4CCCC[C@@H]43)C2=O)cc1	ZINC000595565909	398975294	/nfs/dbraw/zinc/97/52/94/398975294.db2.gz	FQABRKITWJVJER-RYQLBKOJSA-N	0	3	309.413	2.928	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(C#N)c1	ZINC000271873228	209286512	/nfs/dbraw/zinc/28/65/12/209286512.db2.gz	NHJAVAQDXLQTIR-JVPBZIDWSA-N	0	3	310.397	2.693	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)NC1CCN(CC)CC1	ZINC000056555124	398979173	/nfs/dbraw/zinc/97/91/73/398979173.db2.gz	DIYYDSKRUXWCPN-UHFFFAOYSA-N	0	3	316.405	2.563	20	30		DFEDHN
Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000193911953	201143752	/nfs/dbraw/zinc/14/37/52/201143752.db2.gz	TZUTWEGKRDVMLX-HNNXBMFYSA-N	0	3	307.397	2.947	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000599426321	398978207	/nfs/dbraw/zinc/97/82/07/398978207.db2.gz	BJYRXDDAIWQAMP-SJORKVTESA-N	0	3	314.429	2.535	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000078765236	398985951	/nfs/dbraw/zinc/98/59/51/398985951.db2.gz	NKBOMLXTVZKRLH-SFHVURJKSA-N	0	3	307.397	2.785	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000595591971	398988398	/nfs/dbraw/zinc/98/83/98/398988398.db2.gz	MQCHRBPCSAQDIC-HNNXBMFYSA-N	0	3	311.495	2.612	20	30		DFEDHN
COc1cccc([C@]2(C)CCN(C[C@@H](O)CC3(C#N)CC3)C2)c1	ZINC000599467656	398989824	/nfs/dbraw/zinc/98/98/24/398989824.db2.gz	IYXDUJHXBFAEGR-FUHWJXTLSA-N	0	3	314.429	2.713	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000595614343	399000597	/nfs/dbraw/zinc/00/05/97/399000597.db2.gz	KTXOHCVYWBMBKQ-AWEZNQCLSA-N	0	3	303.362	2.989	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1	ZINC000600202486	399003116	/nfs/dbraw/zinc/00/31/16/399003116.db2.gz	LBOCBLJTCYNATJ-HYFFOGBASA-N	0	3	314.454	2.727	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1	ZINC000595616608	399002716	/nfs/dbraw/zinc/00/27/16/399002716.db2.gz	UZXVXAGNLBTBQM-CQSZACIVSA-N	0	3	317.458	2.649	20	30		DFEDHN
N#CCCCOc1cccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1	ZINC000600208277	399007142	/nfs/dbraw/zinc/00/71/42/399007142.db2.gz	PPJUWHOKGQDSNY-PKOBYXMFSA-N	0	3	314.429	2.964	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1cccc(C#N)c1	ZINC000271805424	209232210	/nfs/dbraw/zinc/23/22/10/209232210.db2.gz	LDAIKAMPBCPHKI-CXAGYDPISA-N	0	3	314.360	2.788	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NCCCN(C)Cc1ccccc1	ZINC000275397466	212309400	/nfs/dbraw/zinc/30/94/00/212309400.db2.gz	DIZGGKFUOMPUGF-LJQANCHMSA-N	0	3	318.461	2.854	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC(F)(F)CC2)cc1	ZINC000600253290	399019412	/nfs/dbraw/zinc/01/94/12/399019412.db2.gz	AAEIOOQQVFNMIS-OAHLLOKOSA-N	0	3	317.339	2.888	20	30		DFEDHN
Cc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000595658847	399023757	/nfs/dbraw/zinc/02/37/57/399023757.db2.gz	XEQHXXCPMPIIEF-LJQANCHMSA-N	0	3	322.408	2.665	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)C#N)N(C)C)cc1	ZINC000079223143	399027007	/nfs/dbraw/zinc/02/70/07/399027007.db2.gz	BLXBEBUQEHXFHT-YOEHRIQHSA-N	0	3	316.449	2.653	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000079310833	399034139	/nfs/dbraw/zinc/03/41/39/399034139.db2.gz	DTIVDXBILTUEKN-WBVHZDCISA-N	0	3	314.433	2.625	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1C#N	ZINC000599631563	399036352	/nfs/dbraw/zinc/03/63/52/399036352.db2.gz	XQGVJURWIWJGAI-AEFFLSMTSA-N	0	3	309.369	2.587	20	30		DFEDHN
N#CCCOCCN1CCC(Cc2nc(C3CCC3)no2)CC1	ZINC000599640623	399038704	/nfs/dbraw/zinc/03/87/04/399038704.db2.gz	AVHDBEUXBVTLAB-UHFFFAOYSA-N	0	3	318.421	2.522	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C#N)C1	ZINC000595692939	399038187	/nfs/dbraw/zinc/03/81/87/399038187.db2.gz	ZIQYDKWXSZVFLE-BZUAXINKSA-N	0	3	305.466	2.943	20	30		DFEDHN
CCN1CCC(N(C)C(=O)c2cccc(SCC#N)c2)CC1	ZINC000079528802	399053237	/nfs/dbraw/zinc/05/32/37/399053237.db2.gz	KUWIKHCKZBIYNY-UHFFFAOYSA-N	0	3	317.458	2.859	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1	ZINC000171714622	399056225	/nfs/dbraw/zinc/05/62/25/399056225.db2.gz	QUEFSDQDFWLVPP-UHFFFAOYSA-N	0	3	322.412	2.524	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000275282716	212246697	/nfs/dbraw/zinc/24/66/97/212246697.db2.gz	WKSADZFYZGEYKI-GJZGRUSLSA-N	0	3	321.808	2.697	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1OC	ZINC000621738556	399058491	/nfs/dbraw/zinc/05/84/91/399058491.db2.gz	JMSKGYVRRFOGEK-ZBFHGGJFSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000595732206	399060123	/nfs/dbraw/zinc/06/01/23/399060123.db2.gz	CZHVTKZDSXHWIA-QGZVFWFLSA-N	0	3	316.449	2.545	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCCCC2)C1	ZINC000595732176	399060437	/nfs/dbraw/zinc/06/04/37/399060437.db2.gz	CRUMZDGDBRXUPV-ZBFHGGJFSA-N	0	3	303.450	2.840	20	30		DFEDHN
C/C=C/C[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000599692784	399067031	/nfs/dbraw/zinc/06/70/31/399067031.db2.gz	XNJPDCYHNGWOTR-WOMSROEHSA-N	0	3	311.429	2.853	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1=CCCOC1	ZINC000595748218	399068512	/nfs/dbraw/zinc/06/85/12/399068512.db2.gz	YGBNANPUWRAKLT-UHFFFAOYSA-N	0	3	322.412	2.737	20	30		DFEDHN
C[C@@H]1CC[C@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1	ZINC000595770263	399077357	/nfs/dbraw/zinc/07/73/57/399077357.db2.gz	XCZKJGPZDUFZEC-RHSMWYFYSA-N	0	3	300.402	2.721	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(COC)CCCCC2)CC1	ZINC000621858997	399095496	/nfs/dbraw/zinc/09/54/96/399095496.db2.gz	OIMLLDAEYWILTM-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN2CCC[C@@H]2C1	ZINC000283175300	335001417	/nfs/dbraw/zinc/00/14/17/335001417.db2.gz	GBCVAQPBVLVECR-QGZVFWFLSA-N	0	3	323.444	2.806	20	30		DFEDHN
C=CCC[C@@H](C(=O)NCCCN(C)CCOC)c1ccccc1	ZINC000275127813	212136357	/nfs/dbraw/zinc/13/63/57/212136357.db2.gz	KFLPVUKVYONYRJ-GOSISDBHSA-N	0	3	318.461	2.821	20	30		DFEDHN
CC#CCCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000284323609	335011159	/nfs/dbraw/zinc/01/11/59/335011159.db2.gz	LXBQRNXZVIEGTN-KRWDZBQOSA-N	0	3	302.418	2.608	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000595840496	399107408	/nfs/dbraw/zinc/10/74/08/399107408.db2.gz	BYNKFNRRHLEMQO-CAOSSQGBSA-N	0	3	319.449	2.574	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000595841085	399109017	/nfs/dbraw/zinc/10/90/17/399109017.db2.gz	HNNQIMGIWCDEIE-HRCADAONSA-N	0	3	301.434	2.901	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1	ZINC000174359732	399110127	/nfs/dbraw/zinc/11/01/27/399110127.db2.gz	FZVUMYAZSWSZJB-UHFFFAOYSA-N	0	3	317.408	2.824	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1CC1CCC1	ZINC000595865604	399116474	/nfs/dbraw/zinc/11/64/74/399116474.db2.gz	BZLSJVZUMUZIIM-KRWDZBQOSA-N	0	3	316.449	2.687	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCCC[C@H]1CC1CCC1)C1CC1	ZINC000595866427	399117959	/nfs/dbraw/zinc/11/79/59/399117959.db2.gz	GYIXPYXMPSWMGI-FUHWJXTLSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN(C(=O)c1cc2ccccc2n1CC#N)C1CCN(C)CC1	ZINC000599986470	399119278	/nfs/dbraw/zinc/11/92/78/399119278.db2.gz	UKSZUGOLHSWEMC-UHFFFAOYSA-N	0	3	324.428	2.721	20	30		DFEDHN
CCN(C(=O)CSc1ccc(C#N)cc1)C1CCN(C)CC1	ZINC000599986089	399119438	/nfs/dbraw/zinc/11/94/38/399119438.db2.gz	NLCRJUZWVGTILL-UHFFFAOYSA-N	0	3	317.458	2.593	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCOc3c(Cl)cccc32)CC1	ZINC000600719844	399122912	/nfs/dbraw/zinc/12/29/12/399122912.db2.gz	KXEYUPUNUVXWIR-RISCZKNCSA-N	0	3	306.793	2.808	20	30		DFEDHN
C=CCCCN(C)Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC000093533612	193266079	/nfs/dbraw/zinc/26/60/79/193266079.db2.gz	KFWDAKWHMFCZMW-UHFFFAOYSA-N	0	3	307.438	2.850	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@@H]1NC[C@H](O)COc1ccccc1C#N	ZINC000600725479	399125582	/nfs/dbraw/zinc/12/55/82/399125582.db2.gz	PZJNRDSLQLBMJU-YSIASYRMSA-N	0	3	322.408	2.618	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](COCC)C2)cc(OC)c1O	ZINC000093838895	193316797	/nfs/dbraw/zinc/31/67/97/193316797.db2.gz	XCJICTPILBGXBB-AWEZNQCLSA-N	0	3	305.418	2.988	20	30		DFEDHN
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc(C#N)cc1Cl	ZINC000595897235	399128065	/nfs/dbraw/zinc/12/80/65/399128065.db2.gz	CHUFXGZFZBRYNN-GUYJKWIASA-N	0	3	318.804	2.889	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(C(F)F)cc2)CCOCC1	ZINC000600734878	399128686	/nfs/dbraw/zinc/12/86/86/399128686.db2.gz	KZXZNFWJYASEOI-OAHLLOKOSA-N	0	3	324.371	2.785	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000263649023	203493016	/nfs/dbraw/zinc/49/30/16/203493016.db2.gz	CVRALWSNIYDTPN-UHFFFAOYSA-N	0	3	317.437	2.721	20	30		DFEDHN
COc1c2ccccc2oc1CNC[C@H](O)CC1(C#N)CC1	ZINC000600735443	399130043	/nfs/dbraw/zinc/13/00/43/399130043.db2.gz	UIXAFXGWHWDLNX-GFCCVEGCSA-N	0	3	300.358	2.586	20	30		DFEDHN
COCC1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCCCC1	ZINC000595909461	399131499	/nfs/dbraw/zinc/13/14/99/399131499.db2.gz	OFMKKQLAORFPPJ-UHFFFAOYSA-N	0	3	303.362	2.905	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC(=O)NCCCC)c1ccccc1	ZINC000180043682	399132132	/nfs/dbraw/zinc/13/21/32/399132132.db2.gz	PWJJBQFLMKQIJO-INIZCTEOSA-N	0	3	317.433	2.909	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2c(F)cccc2N2CCCC2)CC1	ZINC000600741848	399132462	/nfs/dbraw/zinc/13/24/62/399132462.db2.gz	QWOBPIDBLVDXDT-AWEZNQCLSA-N	0	3	317.408	2.570	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2c(F)cccc2N2CCCC2)CC1	ZINC000600741850	399132560	/nfs/dbraw/zinc/13/25/60/399132560.db2.gz	QWOBPIDBLVDXDT-CQSZACIVSA-N	0	3	317.408	2.570	20	30		DFEDHN
CC(C)(C)CCN1CCN(CCOc2ccccc2C#N)CC1	ZINC000060479832	399132656	/nfs/dbraw/zinc/13/26/56/399132656.db2.gz	DNUTVCHPLLPXBY-UHFFFAOYSA-N	0	3	315.461	2.991	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cccc(OC3CC3)c2F)CC1	ZINC000600750487	399135326	/nfs/dbraw/zinc/13/53/26/399135326.db2.gz	WYHSVYLVQLCLBM-ZDUSSCGKSA-N	0	3	304.365	2.511	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)CNCC1(C#N)CCCCC1	ZINC000600754414	399136014	/nfs/dbraw/zinc/13/60/14/399136014.db2.gz	AFMNZPNLULCOLN-GOSISDBHSA-N	0	3	315.461	2.543	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NC[C@H](C)C#N)c1ccccc1	ZINC000182350944	399144812	/nfs/dbraw/zinc/14/48/12/399144812.db2.gz	MMPRUWHLRZDDNH-GDBMZVCRSA-N	0	3	302.422	2.528	20	30		DFEDHN
N#Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)nc1	ZINC000264631709	204041685	/nfs/dbraw/zinc/04/16/85/204041685.db2.gz	CHURYVDIZIOFFI-KRWDZBQOSA-N	0	3	320.396	2.804	20	30		DFEDHN
Cc1cc(C)n(CCN2CCC(Oc3cccc(C#N)c3)CC2)n1	ZINC000264576589	204007268	/nfs/dbraw/zinc/00/72/68/204007268.db2.gz	YLNORRQIVTXVJF-UHFFFAOYSA-N	0	3	324.428	2.915	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccsc1	ZINC000061362684	399154227	/nfs/dbraw/zinc/15/42/27/399154227.db2.gz	CUZMYUOLSCMHFI-WFASDCNBSA-N	0	3	302.399	2.710	20	30		DFEDHN
CN1CCC2(CCN(Cc3ccc(C#N)cc3Cl)CC2)C1=O	ZINC000618546596	399154886	/nfs/dbraw/zinc/15/48/86/399154886.db2.gz	KFGOJRNGKBIRAM-UHFFFAOYSA-N	0	3	317.820	2.656	20	30		DFEDHN
C=C(C)COCCN[C@@H](CN1CCOCC1)c1ccccc1C	ZINC000183795651	399155055	/nfs/dbraw/zinc/15/50/55/399155055.db2.gz	GUBCWEDDUTVZMJ-IBGZPJMESA-N	0	3	318.461	2.551	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](C)c1cc2ccccc2s1	ZINC000184374474	399157693	/nfs/dbraw/zinc/15/76/93/399157693.db2.gz	DTVJTYNOAIZBLE-LLVKDONJSA-N	0	3	317.414	2.564	20	30		DFEDHN
C#CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000264897686	204248681	/nfs/dbraw/zinc/24/86/81/204248681.db2.gz	NSSKGTDVHGOHRU-INIZCTEOSA-N	0	3	324.346	2.581	20	30		DFEDHN
CN(C)Cc1ccccc1NC(=O)c1ncc(C#N)cc1Cl	ZINC000600845441	399158478	/nfs/dbraw/zinc/15/84/78/399158478.db2.gz	NUFNIUCBNIATEF-UHFFFAOYSA-N	0	3	314.776	2.921	20	30		DFEDHN
C#CCN(CC)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000264968599	204310185	/nfs/dbraw/zinc/31/01/85/204310185.db2.gz	CIGBBCBNCRRFOA-OAHLLOKOSA-N	0	3	301.434	2.781	20	30		DFEDHN
N#CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1	ZINC000061584268	399161011	/nfs/dbraw/zinc/16/10/11/399161011.db2.gz	XVBYQWFJPFMLSF-UHFFFAOYSA-N	0	3	311.429	2.661	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000271739304	209171716	/nfs/dbraw/zinc/17/17/16/209171716.db2.gz	BVKZOUVZKOFISQ-KRWDZBQOSA-N	0	3	323.352	2.779	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1cc(C)no1	ZINC000284925903	335015172	/nfs/dbraw/zinc/01/51/72/335015172.db2.gz	AGYZFBBPESPSNB-ZBFHGGJFSA-N	0	3	311.385	2.534	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000607538296	399173997	/nfs/dbraw/zinc/17/39/97/399173997.db2.gz	ZNGXUNDQDKHBQZ-PBHICJAKSA-N	0	3	322.474	2.840	20	30		DFEDHN
CN(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C#N)c1ccccc1	ZINC000596101276	399173309	/nfs/dbraw/zinc/17/33/09/399173309.db2.gz	GDJBUWKSTSIEEJ-BBWFWOEESA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1	ZINC000288278841	220058385	/nfs/dbraw/zinc/05/83/85/220058385.db2.gz	QDOPJLFHUYIVJC-DNVCBOLYSA-N	0	3	319.408	2.951	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2c(C#N)cnn2C)CC1	ZINC000596132876	399185003	/nfs/dbraw/zinc/18/50/03/399185003.db2.gz	SKWHWLUKXGLVSG-CQSZACIVSA-N	0	3	309.417	2.929	20	30		DFEDHN
CN(C)[C@H](CNc1c(C#N)cnn1C)c1ccc(Cl)cc1	ZINC000596151348	399192114	/nfs/dbraw/zinc/19/21/14/399192114.db2.gz	HVPJRXZGCLIRLD-CQSZACIVSA-N	0	3	303.797	2.660	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)Cc1cccc(O)c1	ZINC000080937248	399190395	/nfs/dbraw/zinc/19/03/95/399190395.db2.gz	AORFFVFXUNHGQI-UHFFFAOYSA-N	0	3	309.369	2.724	20	30		DFEDHN
N#CCc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000600970980	399191197	/nfs/dbraw/zinc/19/11/97/399191197.db2.gz	SAXFAGNUXSVEQA-SFHVURJKSA-N	0	3	319.408	2.757	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)CCN1C	ZINC000266207998	205182793	/nfs/dbraw/zinc/18/27/93/205182793.db2.gz	FNIGJPUIVXLZOB-CMPLNLGQSA-N	0	3	312.339	2.891	20	30		DFEDHN
C#CC[C@@H](NCC(=O)NCCOc1ccccc1)c1ccccc1	ZINC000271678822	209121335	/nfs/dbraw/zinc/12/13/35/209121335.db2.gz	ICBLHVOCNOGSHU-LJQANCHMSA-N	0	3	322.408	2.536	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1	ZINC000266281672	205234852	/nfs/dbraw/zinc/23/48/52/205234852.db2.gz	GOZWMCKBPNHNEH-NTZNESFSSA-N	0	3	321.808	2.553	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000063726859	399205115	/nfs/dbraw/zinc/20/51/15/399205115.db2.gz	SOLFOUWAXVYXOU-MDZDMXLPSA-N	0	3	311.429	2.904	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000266473563	205372135	/nfs/dbraw/zinc/37/21/35/205372135.db2.gz	UUEMFHIJTYRHTB-TZMCWYRMSA-N	0	3	316.405	2.513	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000283011587	217386189	/nfs/dbraw/zinc/38/61/89/217386189.db2.gz	POZRWXVPUQUKGY-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N1CCC(C)CC1	ZINC000285239202	335022248	/nfs/dbraw/zinc/02/22/48/335022248.db2.gz	VZKMVKKOXRRVEB-PKOBYXMFSA-N	0	3	312.457	2.858	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](CC)c2ccc(OC)c(OC)c2)C1=O	ZINC000285256995	335022399	/nfs/dbraw/zinc/02/23/99/335022399.db2.gz	XCZZTSHLUFZKRA-LSDHHAIUSA-N	0	3	318.417	2.531	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(C#N)cc2C)CCN1CCOC	ZINC000614403380	399226581	/nfs/dbraw/zinc/22/65/81/399226581.db2.gz	WGVMTURUBLDDKZ-IBGZPJMESA-N	0	3	315.461	2.799	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(-n2cncn2)cc1	ZINC000618741438	399226640	/nfs/dbraw/zinc/22/66/40/399226640.db2.gz	GJCPWZFDRIYYBL-IBGZPJMESA-N	0	3	315.380	2.916	20	30		DFEDHN
N#Cc1ccc(N2CCN([C@H]3CCc4ccccc43)CC2)nc1	ZINC000614485004	399239210	/nfs/dbraw/zinc/23/92/10/399239210.db2.gz	JRMOXSSCTCSBJE-SFHVURJKSA-N	0	3	304.397	2.763	20	30		DFEDHN
C[C@](CO)(Cc1ccccc1F)NCc1ccc(C#N)cc1F	ZINC000601154166	399243208	/nfs/dbraw/zinc/24/32/08/399243208.db2.gz	ZCYLRJCLIXJYBQ-GOSISDBHSA-N	0	3	316.351	2.920	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1	ZINC000285937635	335028140	/nfs/dbraw/zinc/02/81/40/335028140.db2.gz	FOVTZNRSZGYCNW-XFBWCDHKSA-N	0	3	324.371	2.545	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cccnc1C)C(C)C	ZINC000285761471	335029141	/nfs/dbraw/zinc/02/91/41/335029141.db2.gz	ZJSWJFPZILQFHV-GOSISDBHSA-N	0	3	315.461	2.747	20	30		DFEDHN
C=C(Br)CN(C)CCCN(C)Cc1ccco1	ZINC000285844240	335029948	/nfs/dbraw/zinc/02/99/48/335029948.db2.gz	XPRJLRXGXRCGPB-UHFFFAOYSA-N	0	3	301.228	2.942	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCCc3cccnc32)CC1	ZINC000192533185	335030925	/nfs/dbraw/zinc/03/09/25/335030925.db2.gz	GPBIYSFMBJUPBV-QGZVFWFLSA-N	0	3	313.445	2.658	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000618891660	399253268	/nfs/dbraw/zinc/25/32/68/399253268.db2.gz	BMNUYALROQGGGW-ROUUACIJSA-N	0	3	309.413	2.536	20	30		DFEDHN
C#CC(C)(C)N(C)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000286355072	335033252	/nfs/dbraw/zinc/03/32/52/335033252.db2.gz	XYGKUAZZCMTDHC-GOSISDBHSA-N	0	3	300.446	2.621	20	30		DFEDHN
C[C@H](NCCc1cn2c(n1)SCC2)c1ccc(C#N)c(F)c1	ZINC000274362862	211548322	/nfs/dbraw/zinc/54/83/22/211548322.db2.gz	IPVMFUZZEYNPCX-NSHDSACASA-N	0	3	316.405	2.893	20	30		DFEDHN
CCS(=O)(=O)CCCCCNC1(c2cccc(C#N)c2)CC1	ZINC000341973000	269674315	/nfs/dbraw/zinc/67/43/15/269674315.db2.gz	PRQBTZSINIAQJM-UHFFFAOYSA-N	0	3	320.458	2.742	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)cc1	ZINC000267898688	206326249	/nfs/dbraw/zinc/32/62/49/206326249.db2.gz	JDAMMTCANXBJLX-XEZPLFJOSA-N	0	3	312.417	2.544	20	30		DFEDHN
C[C@H](CN1CCOCC1)N(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000619050309	399285407	/nfs/dbraw/zinc/28/54/07/399285407.db2.gz	AYWQCIRDBIHGNT-MRXNPFEDSA-N	0	3	315.461	2.640	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601447464	399290173	/nfs/dbraw/zinc/29/01/73/399290173.db2.gz	PZRFJBIMZQIDDG-DOTOQJQBSA-N	0	3	323.440	2.707	20	30		DFEDHN
C=CCC1(NC(=O)c2ccnc(OCCN(C)C)c2)CCCC1	ZINC000619110827	399297187	/nfs/dbraw/zinc/29/71/87/399297187.db2.gz	JRZUVDWPPDSOTI-UHFFFAOYSA-N	0	3	317.433	2.641	20	30		DFEDHN
CC(C)C[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000608822176	399297898	/nfs/dbraw/zinc/29/78/98/399297898.db2.gz	GYKBQBUSBAYPAT-ZWKOTPCHSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C)C[C@@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000608823744	399297973	/nfs/dbraw/zinc/29/79/73/399297973.db2.gz	VGGBGCKDWCTMAE-SFHVURJKSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1cc2ccccc2n1CC#N	ZINC000609163454	399307226	/nfs/dbraw/zinc/30/72/26/399307226.db2.gz	MCHYCFRGGSJYPE-HNNXBMFYSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)C(C)C	ZINC000051739025	425883267	/nfs/dbraw/zinc/88/32/67/425883267.db2.gz	JVJZVUIUCIGSPA-AWEZNQCLSA-N	0	3	321.425	2.747	20	30		DFEDHN
N#CCN1CCC(NCc2cnc(-c3ccccc3)s2)CC1	ZINC000609334935	399314503	/nfs/dbraw/zinc/31/45/03/399314503.db2.gz	LPKWWCAOTGCULI-UHFFFAOYSA-N	0	3	312.442	2.888	20	30		DFEDHN
C[C@H](C#N)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	ZINC000609413104	399317631	/nfs/dbraw/zinc/31/76/31/399317631.db2.gz	HHYOHDBWOXNUGY-CABCVRRESA-N	0	3	315.417	2.582	20	30		DFEDHN
CC[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)N(CC)CC	ZINC000619246939	399319284	/nfs/dbraw/zinc/31/92/84/399319284.db2.gz	YVYXZPHCKRECPD-SOLBZPMBSA-N	0	3	321.465	2.561	20	30		DFEDHN
CC[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)N(CC)CC	ZINC000619246938	399319548	/nfs/dbraw/zinc/31/95/48/399319548.db2.gz	YVYXZPHCKRECPD-RYRKJORJSA-N	0	3	321.465	2.561	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC2(CC2)C1	ZINC000601680699	399319853	/nfs/dbraw/zinc/31/98/53/399319853.db2.gz	SVEUAZMYUZQZHY-HNNXBMFYSA-N	0	3	301.434	2.594	20	30		DFEDHN
C#C[C@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000287228569	335041997	/nfs/dbraw/zinc/04/19/97/335041997.db2.gz	VJERPLLXFVLQEO-HNNXBMFYSA-N	0	3	315.417	2.695	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1	ZINC000609920606	399336577	/nfs/dbraw/zinc/33/65/77/399336577.db2.gz	UEUFLZGWQJMZJU-IUODEOHRSA-N	0	3	305.809	2.753	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1	ZINC000610011529	399338944	/nfs/dbraw/zinc/33/89/44/399338944.db2.gz	BXWSGBPSTFNFNX-IUODEOHRSA-N	0	3	316.401	2.864	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCOC1	ZINC000274044328	211301713	/nfs/dbraw/zinc/30/17/13/211301713.db2.gz	OSXXKWAPEUETGG-KGLIPLIRSA-N	0	3	320.458	2.918	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](C)c2cc(OC)ncc2F)CC1	ZINC000287284010	335042633	/nfs/dbraw/zinc/04/26/33/335042633.db2.gz	BQSXXWUMOWZPKA-ZDUSSCGKSA-N	0	3	307.413	2.920	20	30		DFEDHN
N#Cc1cccc(OC2CCN(C[C@H]3CCCCO3)CC2)c1	ZINC000104715492	194029515	/nfs/dbraw/zinc/02/95/15/194029515.db2.gz	LQHDIRDAWBXUMJ-GOSISDBHSA-N	0	3	300.402	2.971	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NCc3ccc(O)cc3)C2=O)cc1	ZINC000615506827	399345383	/nfs/dbraw/zinc/34/53/83/399345383.db2.gz	CDUIYHUMTXAVCJ-SFHVURJKSA-N	0	3	321.380	2.549	20	30		DFEDHN
CS[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1N1CCCC1	ZINC000273918174	211173561	/nfs/dbraw/zinc/17/35/61/211173561.db2.gz	BDIJUMNAAIHAAW-DLBZAZTESA-N	0	3	319.449	2.709	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2NC1CCN(C2CC2)CC1	ZINC000610245964	399350189	/nfs/dbraw/zinc/35/01/89/399350189.db2.gz	CIFYXKKJKJQSHI-UHFFFAOYSA-N	0	3	306.413	2.876	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCCC[C@H]1C)c1cccc(C#N)c1	ZINC000610335268	399357663	/nfs/dbraw/zinc/35/76/63/399357663.db2.gz	ILMQUFSUVXGCRA-CABCVRRESA-N	0	3	314.433	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000610353794	399360205	/nfs/dbraw/zinc/36/02/05/399360205.db2.gz	IBZRAGAVFWGPFH-CQSZACIVSA-N	0	3	312.417	2.569	20	30		DFEDHN
C[S@@](=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC1	ZINC000619554535	399361670	/nfs/dbraw/zinc/36/16/70/399361670.db2.gz	RQRRKMBIUIUQCG-IIBYNOLFSA-N	0	3	302.443	2.826	20	30		DFEDHN
CC(C#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000610422721	399366403	/nfs/dbraw/zinc/36/64/03/399366403.db2.gz	MEHHYSPRTCYIGP-GFCCVEGCSA-N	0	3	300.358	2.846	20	30		DFEDHN
N#CCSCCCN1CCC(CC(=O)NC2CCCC2)CC1	ZINC000610409691	399365161	/nfs/dbraw/zinc/36/51/61/399365161.db2.gz	QKVUXVIMLNPERG-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
N#CCc1cccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1	ZINC000601962795	399370252	/nfs/dbraw/zinc/37/02/52/399370252.db2.gz	AVQOFIAGCPEXIJ-FQEVSTJZSA-N	0	3	321.424	2.802	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(Cn2cccn2)CC1	ZINC000105887216	194157249	/nfs/dbraw/zinc/15/72/49/194157249.db2.gz	ZWQSYGBQMFGZOL-UHFFFAOYSA-N	0	3	310.401	2.546	20	30		DFEDHN
Cc1cnn([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)c1	ZINC000105899407	194165230	/nfs/dbraw/zinc/16/52/30/194165230.db2.gz	ULDZUCRXJFYUTP-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CNCc1cc(C#N)cs1	ZINC000610488629	399372566	/nfs/dbraw/zinc/37/25/66/399372566.db2.gz	PTNMLGMHQQAFOX-OAHLLOKOSA-N	0	3	316.426	2.766	20	30		DFEDHN
CCC(C)(C)CCNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000601969549	399371550	/nfs/dbraw/zinc/37/15/50/399371550.db2.gz	VOHYUMXAPBQPCV-UHFFFAOYSA-N	0	3	308.447	2.748	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)C1	ZINC000619673442	399374847	/nfs/dbraw/zinc/37/48/47/399374847.db2.gz	KXTBRLPAGMULGF-BARDWOONSA-N	0	3	312.335	2.803	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2cccc(F)c2C#N)C[C@H](C)O1	ZINC000601995556	399377958	/nfs/dbraw/zinc/37/79/58/399377958.db2.gz	DWPFQGFJSVMDTC-OKILXGFUSA-N	0	3	319.424	2.675	20	30		DFEDHN
Cc1c([C@H](C)NC2CCN(CC#N)CC2)cnn1C(C)(C)C	ZINC000615756407	399381144	/nfs/dbraw/zinc/38/11/44/399381144.db2.gz	JAWJNXVNOZTBCQ-ZDUSSCGKSA-N	0	3	303.454	2.585	20	30		DFEDHN
N#Cc1c(F)cccc1CNC[C@H]1CCN(CC(F)(F)F)C1	ZINC000602006979	399381643	/nfs/dbraw/zinc/38/16/43/399381643.db2.gz	UAYXBAWHUPSYAC-LLVKDONJSA-N	0	3	315.314	2.671	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1cccc(C#N)c1	ZINC000610578140	399382877	/nfs/dbraw/zinc/38/28/77/399382877.db2.gz	QIRHPSPBBWHSGH-ZWKOTPCHSA-N	0	3	311.429	2.576	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)ccn1	ZINC000619722857	399383146	/nfs/dbraw/zinc/38/31/46/399383146.db2.gz	GJFZSMHTMIIHKO-INIZCTEOSA-N	0	3	321.428	2.866	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1cnn(C2CCCC2)c1	ZINC000619723735	399383539	/nfs/dbraw/zinc/38/35/39/399383539.db2.gz	WYEZPNFKHCLAAL-CQSZACIVSA-N	0	3	301.438	2.637	20	30		DFEDHN
N#Cc1c(F)cccc1CNC1CCN(c2nccs2)CC1	ZINC000602017374	399385093	/nfs/dbraw/zinc/38/50/93/399385093.db2.gz	PLENAMUQVHUQTG-UHFFFAOYSA-N	0	3	316.405	2.912	20	30		DFEDHN
C=CCCN(C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417679798	335044063	/nfs/dbraw/zinc/04/40/63/335044063.db2.gz	IBVXTFVIZUNMAV-UHFFFAOYSA-N	0	3	321.421	2.675	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1cccc(C#N)c1	ZINC000610659063	399389550	/nfs/dbraw/zinc/38/95/50/399389550.db2.gz	RFVNOVLQFPVLLV-GRDNDAEWSA-N	0	3	314.433	2.601	20	30		DFEDHN
CC1CC(C#N)(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1	ZINC000610713301	399396942	/nfs/dbraw/zinc/39/69/42/399396942.db2.gz	GRAFDAISKVQSQS-URSIVYNOSA-N	0	3	311.429	2.659	20	30		DFEDHN
Cc1ccnc(NCc2ccccc2OCCN(C)C)c1C#N	ZINC000273296715	210666519	/nfs/dbraw/zinc/66/65/19/210666519.db2.gz	GJXUXBLJYRRDFS-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000159299987	197344067	/nfs/dbraw/zinc/34/40/67/197344067.db2.gz	CZAUHMOCUJESIN-GOSISDBHSA-N	0	3	307.397	2.899	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H](CO)CCF)cc1OC	ZINC000623560599	399416274	/nfs/dbraw/zinc/41/62/74/399416274.db2.gz	LPDCBGKSXBPYEA-LBPRGKRZSA-N	0	3	317.788	2.724	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C	ZINC000611092423	399433902	/nfs/dbraw/zinc/43/39/02/399433902.db2.gz	UEAAKCXFGTZYEB-GFCCVEGCSA-N	0	3	309.360	2.686	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1C#N	ZINC000611121010	399436165	/nfs/dbraw/zinc/43/61/65/399436165.db2.gz	ZXSBWXAGLUYOHF-RDTXWAMCSA-N	0	3	311.429	2.685	20	30		DFEDHN
COc1ccc(F)cc1CN1CCN(C[C@@H](C)CCC#N)CC1	ZINC000602432436	399442708	/nfs/dbraw/zinc/44/27/08/399442708.db2.gz	LOPJWOWBADQMQH-HNNXBMFYSA-N	0	3	319.424	2.892	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(c2ncnc3sccc32)CC1	ZINC000602437141	399444124	/nfs/dbraw/zinc/44/41/24/399444124.db2.gz	VMQGOMCIOZMGCH-ZDUSSCGKSA-N	0	3	315.446	2.753	20	30		DFEDHN
N#Cc1cccc(OC2CCN(Cc3ccc(=O)[nH]c3)CC2)c1	ZINC000602451328	399447804	/nfs/dbraw/zinc/44/78/04/399447804.db2.gz	FWDWJVYSMWVMMP-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
Cc1cccc(NC[C@H]2CCN(Cc3cccc(C#N)n3)C2)n1	ZINC000602456933	399449907	/nfs/dbraw/zinc/44/99/07/399449907.db2.gz	CROJLQLVVYSJNE-OAHLLOKOSA-N	0	3	307.401	2.591	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1	ZINC000602464660	399451523	/nfs/dbraw/zinc/45/15/23/399451523.db2.gz	GCICKOLIDYKAEI-INIZCTEOSA-N	0	3	317.481	2.696	20	30		DFEDHN
CCN1CCN(c2ccccc2NCc2cccc(C#N)n2)CC1	ZINC000602492006	399460677	/nfs/dbraw/zinc/46/06/77/399460677.db2.gz	KAAPCSVNSHSILT-UHFFFAOYSA-N	0	3	321.428	2.707	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000620207947	399460145	/nfs/dbraw/zinc/46/01/45/399460145.db2.gz	QQZGYAHJALHRBG-DOTOQJQBSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)cc(OC)c1O	ZINC000623752631	399458541	/nfs/dbraw/zinc/45/85/41/399458541.db2.gz	IWYCRQPXPURJFG-HOTGVXAUSA-N	0	3	303.402	2.786	20	30		DFEDHN
C[C@H](CCC#N)CNc1ccc(CN2CCN(C)CC2)cc1	ZINC000602484633	399458854	/nfs/dbraw/zinc/45/88/54/399458854.db2.gz	ODRYDHKVVRCYFM-MRXNPFEDSA-N	0	3	300.450	2.786	20	30		DFEDHN
N#Cc1cccc(CNC2CCN(Cc3ccccc3)CC2)n1	ZINC000602503921	399462933	/nfs/dbraw/zinc/46/29/33/399462933.db2.gz	OQUYUNQYVNOJBU-UHFFFAOYSA-N	0	3	306.413	2.707	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(C#N)c1	ZINC000611388638	399468777	/nfs/dbraw/zinc/46/87/77/399468777.db2.gz	QNDMMLSRWFZNSQ-KSSFIOAISA-N	0	3	321.380	2.520	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1	ZINC000620254924	399467688	/nfs/dbraw/zinc/46/76/88/399467688.db2.gz	DAZZBOYDDPSKPG-MRXNPFEDSA-N	0	3	304.434	2.958	20	30		DFEDHN
COCc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000602524167	399468135	/nfs/dbraw/zinc/46/81/35/399468135.db2.gz	KHFSDLMTTNOADI-ZDUSSCGKSA-N	0	3	309.797	2.836	20	30		DFEDHN
COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1O	ZINC000602530890	399468633	/nfs/dbraw/zinc/46/86/33/399468633.db2.gz	YWFRKZNCTNNMON-ZDUSSCGKSA-N	0	3	304.390	2.589	20	30		DFEDHN
CC[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000602533734	399469563	/nfs/dbraw/zinc/46/95/63/399469563.db2.gz	AZSGMVIQZDCVOH-IRXDYDNUSA-N	0	3	301.434	2.925	20	30		DFEDHN
C[C@@H](NCc1ccnc(C#N)c1)c1cccc(-n2cccn2)c1	ZINC000611395569	399470144	/nfs/dbraw/zinc/47/01/44/399470144.db2.gz	OWYKDUKTRSOGNL-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394697	399470226	/nfs/dbraw/zinc/47/02/26/399470226.db2.gz	WQAXDWHBURUCOK-XGWTYTTDSA-N	0	3	309.413	2.535	20	30		DFEDHN
CC(C)(C)N1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394612	399470353	/nfs/dbraw/zinc/47/03/53/399470353.db2.gz	SHMPAOWCSMXGQQ-WBVHZDCISA-N	0	3	311.429	2.925	20	30		DFEDHN
CC(C)(CNC(=O)[C@]1(C#N)CCNC1)c1ccc2ccccc2c1	ZINC000602572781	399479199	/nfs/dbraw/zinc/47/91/99/399479199.db2.gz	NGAGQWOVUWXWPU-FQEVSTJZSA-N	0	3	321.424	2.737	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccsc1C(F)(F)F	ZINC000602580849	399482125	/nfs/dbraw/zinc/48/21/25/399482125.db2.gz	PJKVNXAARAHRHU-JTQLQIEISA-N	0	3	319.352	2.794	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000602583368	399483321	/nfs/dbraw/zinc/48/33/21/399483321.db2.gz	QXJYBLXMIBLYBS-JTQLQIEISA-N	0	3	318.295	2.888	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)CCNC1	ZINC000602586491	399483978	/nfs/dbraw/zinc/48/39/78/399483978.db2.gz	RSTAUVMOGHZJRV-VQTJNVASSA-N	0	3	323.440	2.575	20	30		DFEDHN
CC(C)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000602596911	399486703	/nfs/dbraw/zinc/48/67/03/399486703.db2.gz	GHCQXYOGDXMZGS-WMZOPIPTSA-N	0	3	301.434	2.781	20	30		DFEDHN
Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@@H](N)CCCC#N)c1	ZINC000602600745	399487215	/nfs/dbraw/zinc/48/72/15/399487215.db2.gz	JADAZMRVKNNSCD-PKOBYXMFSA-N	0	3	313.445	2.940	20	30		DFEDHN
C[C@H](CCC#N)CNCc1nnc2n1CCC[C@H]2C(F)(F)F	ZINC000602607055	399488931	/nfs/dbraw/zinc/48/89/31/399488931.db2.gz	REJIUPXNNSYKRZ-GHMZBOCLSA-N	0	3	315.343	2.747	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@H]2CCCNC(=O)C2)cc1	ZINC000602605860	399488972	/nfs/dbraw/zinc/48/89/72/399488972.db2.gz	SZNOFQZPTNQLMI-SFHVURJKSA-N	0	3	319.408	2.984	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc(C#N)c1	ZINC000611580529	399496670	/nfs/dbraw/zinc/49/66/70/399496670.db2.gz	XFVPOJLUZAYKRA-UONOGXRCSA-N	0	3	312.417	2.569	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCC[C@@H](OC(F)F)C2)cc1	ZINC000611578585	399496736	/nfs/dbraw/zinc/49/67/36/399496736.db2.gz	QNCZCOHWXOTKKJ-CQSZACIVSA-N	0	3	323.343	2.590	20	30		DFEDHN
CCc1nnc2n1C[C@H](N[C@H](C)c1ccc(C#N)cc1F)CC2	ZINC000611590036	399497945	/nfs/dbraw/zinc/49/79/45/399497945.db2.gz	YTRRGHBXKZMDCX-DGCLKSJQSA-N	0	3	313.380	2.517	20	30		DFEDHN
Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C3CCC(C#N)CC3)[n-]2)c1	ZINC000602638684	399499439	/nfs/dbraw/zinc/49/94/39/399499439.db2.gz	FOLHSEGXDOVSPT-IYXRBSQSSA-N	0	3	310.405	2.908	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)c(F)c1	ZINC000602680520	399517879	/nfs/dbraw/zinc/51/78/79/399517879.db2.gz	CROGYSDIFGPVSW-ZDUSSCGKSA-N	0	3	301.365	2.886	20	30		DFEDHN
CCOC(=O)CC1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000120093056	195095837	/nfs/dbraw/zinc/09/58/37/195095837.db2.gz	RGMJKBJCMZCKLU-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2cccc(C#N)n2)C1	ZINC000602684283	399519609	/nfs/dbraw/zinc/51/96/09/399519609.db2.gz	UVJSYZMFXTUMSW-QGZVFWFLSA-N	0	3	320.440	2.907	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(Cc2cccc(C#N)n2)C1	ZINC000602684281	399519731	/nfs/dbraw/zinc/51/97/31/399519731.db2.gz	UVJSYZMFXTUMSW-KRWDZBQOSA-N	0	3	320.440	2.907	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)OCc2ccc(C)cc2)CC1	ZINC000625322870	399520465	/nfs/dbraw/zinc/52/04/65/399520465.db2.gz	LOKXOYMCCMROOU-MRXNPFEDSA-N	0	3	316.445	2.667	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NCc1cc(C(=O)OC)no1	ZINC000602691575	399523012	/nfs/dbraw/zinc/52/30/12/399523012.db2.gz	DPXGENLWRAIRDW-AWEZNQCLSA-N	0	3	300.358	2.738	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NCc1cc(C(=O)OC)no1	ZINC000602691576	399523424	/nfs/dbraw/zinc/52/34/24/399523424.db2.gz	DPXGENLWRAIRDW-CQSZACIVSA-N	0	3	300.358	2.738	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2OC2CC2)CC1	ZINC000287802413	335048318	/nfs/dbraw/zinc/04/83/18/335048318.db2.gz	ZZQCAZXDRKQVQV-UHFFFAOYSA-N	0	3	300.402	2.608	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)OCC	ZINC000270147817	208208392	/nfs/dbraw/zinc/20/83/92/208208392.db2.gz	UTPZZXDYGHGZQI-IAGOWNOFSA-N	0	3	304.434	2.777	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](C)CCC#N)C1	ZINC000602710015	399532795	/nfs/dbraw/zinc/53/27/95/399532795.db2.gz	UZMROQSELVATBL-UTUOFQBUSA-N	0	3	306.328	2.600	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1ccccc1	ZINC000270323242	208393936	/nfs/dbraw/zinc/39/39/36/208393936.db2.gz	KZPWRAHSHTUNFI-RYQLBKOJSA-N	0	3	313.445	2.733	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000159158863	197332044	/nfs/dbraw/zinc/33/20/44/197332044.db2.gz	LOZZMTWZVFPGMT-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
N#CCC[C@H](NC(=O)NCCN1CCCCC1)c1ccccc1	ZINC000158971517	197315116	/nfs/dbraw/zinc/31/51/16/197315116.db2.gz	RVABYLXIUZFJDL-KRWDZBQOSA-N	0	3	314.433	2.817	20	30		DFEDHN
CN(Cc1ccc(C#N)s1)[C@H]1CCCN(c2cccnn2)C1	ZINC000120241384	195125057	/nfs/dbraw/zinc/12/50/57/195125057.db2.gz	ZQXHLTJGMIFNPO-ZDUSSCGKSA-N	0	3	313.430	2.511	20	30		DFEDHN
C[C@@H]1COc2ccccc2CN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000272910384	210297104	/nfs/dbraw/zinc/29/71/04/210297104.db2.gz	HJPUGNMSEJTNQV-RDTXWAMCSA-N	0	3	308.381	2.875	20	30		DFEDHN
C#CCCN1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC000272891957	210281643	/nfs/dbraw/zinc/28/16/43/210281643.db2.gz	YABKJPWBKLQGOI-UHFFFAOYSA-N	0	3	324.384	2.597	20	30		DFEDHN
COc1ccc(CN[C@H]2COc3ccc(F)cc3C2)cc1C#N	ZINC000288692045	220351813	/nfs/dbraw/zinc/35/18/13/220351813.db2.gz	XZFFVBIVHKYLDS-MRXNPFEDSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288006975	335051286	/nfs/dbraw/zinc/05/12/86/335051286.db2.gz	KTTKXNHSHRARKC-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H]3COc4ccccc4O3)CC2)c1	ZINC000602808794	399583771	/nfs/dbraw/zinc/58/37/71/399583771.db2.gz	ZNBHOVURCQCSFW-INIZCTEOSA-N	0	3	306.365	2.977	20	30		DFEDHN
N#CCC1(CN[C@@H](CO)c2cccc(Br)c2)CC1	ZINC000602807282	399583985	/nfs/dbraw/zinc/58/39/85/399583985.db2.gz	RKEIKRFZJGXBCS-ZDUSSCGKSA-N	0	3	309.207	2.766	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC1(CC#N)CC1	ZINC000602829676	399592923	/nfs/dbraw/zinc/59/29/23/399592923.db2.gz	XDRUIIRCTICZOR-ZBFHGGJFSA-N	0	3	300.402	2.690	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC1(CC#N)CC1	ZINC000602829674	399593010	/nfs/dbraw/zinc/59/30/10/399593010.db2.gz	XDRUIIRCTICZOR-GOEBONIOSA-N	0	3	300.402	2.690	20	30		DFEDHN
Cn1cc([C@H]2CCN(CCCOc3cccc(C#N)c3)C2)cn1	ZINC000156421504	197111748	/nfs/dbraw/zinc/11/17/48/197111748.db2.gz	QYYLLUPVEFUARO-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
C[C@@H]1CN(CCSCc2ccccc2)C[C@@H](C)N1CC#N	ZINC000602847758	399600839	/nfs/dbraw/zinc/60/08/39/399600839.db2.gz	CUVQIWVLRXNUQQ-HZPDHXFCSA-N	0	3	303.475	2.838	20	30		DFEDHN
COc1cccc(CCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602858360	399605856	/nfs/dbraw/zinc/60/58/56/399605856.db2.gz	RLIPARUFOZFXMF-HOTGVXAUSA-N	0	3	301.434	2.546	20	30		DFEDHN
CC(C)c1n[nH]c(CC2CCN(Cc3ccc(C#N)cn3)CC2)n1	ZINC000602868101	399609170	/nfs/dbraw/zinc/60/91/70/399609170.db2.gz	YAOJOCACKXMQNU-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
CC(C)c1nc(CC2CCN(Cc3ccc(C#N)cn3)CC2)n[nH]1	ZINC000602868101	399609172	/nfs/dbraw/zinc/60/91/72/399609172.db2.gz	YAOJOCACKXMQNU-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
CC(C)c1nnc(CC2CCN(Cc3ccc(C#N)cn3)CC2)[nH]1	ZINC000602868101	399609176	/nfs/dbraw/zinc/60/91/76/399609176.db2.gz	YAOJOCACKXMQNU-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C	ZINC000602874467	399610857	/nfs/dbraw/zinc/61/08/57/399610857.db2.gz	RDCZXGZXJFQLIZ-INIZCTEOSA-N	0	3	316.405	2.629	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1sccc1C#N	ZINC000052036506	542447035	/nfs/dbraw/zinc/44/70/35/542447035.db2.gz	WJWXOENEUKPHTB-HNNXBMFYSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCCc2c(F)cccc2F)C1	ZINC000625701873	399616723	/nfs/dbraw/zinc/61/67/23/399616723.db2.gz	UCQGYQBXXPNHOF-CYBMUJFWSA-N	0	3	308.372	2.522	20	30		DFEDHN
O[C@]1(C2CC2)CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000370079646	335053752	/nfs/dbraw/zinc/05/37/52/335053752.db2.gz	ABVBUBGDFPZNSL-MRXNPFEDSA-N	0	3	309.331	2.904	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cccc(N(CC)CCOC)n2)C1	ZINC000625704653	399619075	/nfs/dbraw/zinc/61/90/75/399619075.db2.gz	ZKIUTTJVSWXKPK-INIZCTEOSA-N	0	3	303.450	2.952	20	30		DFEDHN
CC[C@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000602925192	399629318	/nfs/dbraw/zinc/62/93/18/399629318.db2.gz	ISSIVFBLIBEAAI-ZWKOTPCHSA-N	0	3	317.408	2.849	20	30		DFEDHN
CC(CN(C)[C@@H]1CCC[C@@H]1C#N)CN(C)[C@@H]1CCC[C@@H]1C#N	ZINC000602979490	399648498	/nfs/dbraw/zinc/64/84/98/399648498.db2.gz	DUGBODCHRFBNHG-BRSBDYLESA-N	0	3	302.466	2.871	20	30		DFEDHN
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N	ZINC000602982150	399649532	/nfs/dbraw/zinc/64/95/32/399649532.db2.gz	ODUUFZHOFVBTSQ-XHSDSOJGSA-N	0	3	305.466	2.895	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)CCN1C	ZINC000603074406	399673126	/nfs/dbraw/zinc/67/31/26/399673126.db2.gz	HKHKQHDWEXQUPZ-ABAIWWIYSA-N	0	3	304.369	2.644	20	30		DFEDHN
C[C@H](NC(=O)Nc1ccnc(C#N)c1)[C@@H](c1ccccc1)N(C)C	ZINC000603133910	399691277	/nfs/dbraw/zinc/69/12/77/399691277.db2.gz	JFNATQDLPZXJQE-GUYCJALGSA-N	0	3	323.400	2.766	20	30		DFEDHN
N#C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1Cl	ZINC000612740571	399714363	/nfs/dbraw/zinc/71/43/63/399714363.db2.gz	ORXJSULHTINKBG-JKSUJKDBSA-N	0	3	317.820	2.895	20	30		DFEDHN
Cc1cc(C#N)ccc1Cn1cc(CCN2CCCCC2)nn1	ZINC000603238772	399719619	/nfs/dbraw/zinc/71/96/19/399719619.db2.gz	XYIQBYVJJDBRBU-UHFFFAOYSA-N	0	3	309.417	2.535	20	30		DFEDHN
C#C[C@H](NCc1cnc2ccc(Br)cn12)C(C)C	ZINC000289637338	335062070	/nfs/dbraw/zinc/06/20/70/335062070.db2.gz	XIJICNUVZVGDNH-ZDUSSCGKSA-N	0	3	306.207	2.844	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)c2ccc(C#N)[nH]2)CC1	ZINC000122090841	195399854	/nfs/dbraw/zinc/39/98/54/195399854.db2.gz	YAJFNOPBVLGRLD-UHFFFAOYSA-N	0	3	323.400	2.645	20	30		DFEDHN
C#Cc1ccc(CNC[C@@H](O)c2cc(OC)ccc2OC)cc1	ZINC000289372218	335062787	/nfs/dbraw/zinc/06/27/87/335062787.db2.gz	ZVZKNOJXJBHIBM-GOSISDBHSA-N	0	3	311.381	2.508	20	30		DFEDHN
C#Cc1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1	ZINC000289409860	335063041	/nfs/dbraw/zinc/06/30/41/335063041.db2.gz	SUUNBSPHACEICF-UHFFFAOYSA-N	0	3	306.413	2.559	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2ccnc3ccccc32)CC1	ZINC000289391020	335063146	/nfs/dbraw/zinc/06/31/46/335063146.db2.gz	QYWWRRDBEBSGFR-INIZCTEOSA-N	0	3	311.429	2.684	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nc(C)ccc2OC)CC1	ZINC000127521672	195884900	/nfs/dbraw/zinc/88/49/00/195884900.db2.gz	ZKTXFBKWUGXYRZ-UHFFFAOYSA-N	0	3	318.421	2.561	20	30		DFEDHN
Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1O	ZINC000292684088	533627814	/nfs/dbraw/zinc/62/78/14/533627814.db2.gz	AXJRSCSBVUJUMC-KRWDZBQOSA-N	0	3	323.396	2.929	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603391420	399762149	/nfs/dbraw/zinc/76/21/49/399762149.db2.gz	JIHKDWSZCCLYRV-LLVKDONJSA-N	0	3	323.238	2.636	20	30		DFEDHN
CC[C@H]1CN(CC)CCN1c1cc(C#N)c(Br)cn1	ZINC000603392377	399764015	/nfs/dbraw/zinc/76/40/15/399764015.db2.gz	OSTTZLFCHOIFOF-LBPRGKRZSA-N	0	3	323.238	2.636	20	30		DFEDHN
CCCN1CC[C@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603410555	399769136	/nfs/dbraw/zinc/76/91/36/399769136.db2.gz	VBDXYCUZZMKJQM-NSHDSACASA-N	0	3	309.211	2.612	20	30		DFEDHN
C=CCCOCC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000146884542	542661143	/nfs/dbraw/zinc/66/11/43/542661143.db2.gz	TYDGFNUPALUUAP-UHFFFAOYSA-N	0	3	316.445	2.532	20	30		DFEDHN
Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)[nH]1	ZINC000603759655	399801697	/nfs/dbraw/zinc/80/16/97/399801697.db2.gz	POMLMCLDVSXJKS-UHFFFAOYSA-N	0	3	324.428	2.707	20	30		DFEDHN
C#Cc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)cc1	ZINC000289822049	335066212	/nfs/dbraw/zinc/06/62/12/335066212.db2.gz	UBOOXQRZOWVEMA-ROUUACIJSA-N	0	3	324.403	2.507	20	30		DFEDHN
C=C[C@@H](CO)N[C@H]1CCc2c1cc(Br)cc2F	ZINC000289895391	335066781	/nfs/dbraw/zinc/06/67/81/335066781.db2.gz	SVEHYQHBBJRMRQ-ZANVPECISA-N	0	3	300.171	2.712	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1	ZINC000289945537	335067257	/nfs/dbraw/zinc/06/72/57/335067257.db2.gz	WDODQPLOJIJXKY-KOLCDFICSA-N	0	3	300.196	2.655	20	30		DFEDHN
CCc1cc(C)nc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000613281925	399840095	/nfs/dbraw/zinc/84/00/95/399840095.db2.gz	TZQOYSIFKVFWQX-UHFFFAOYSA-N	0	3	323.444	2.787	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@@H]1CCCOC1	ZINC000626392930	399843323	/nfs/dbraw/zinc/84/33/23/399843323.db2.gz	KANQVXUYLTYJRD-ZBFHGGJFSA-N	0	3	324.384	2.737	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1	ZINC000328924351	543098743	/nfs/dbraw/zinc/09/87/43/543098743.db2.gz	VKHTVAHVYOADSP-ZFWWWQNUSA-N	0	3	303.406	2.821	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@@H]2COc3c2ccc(C)c3C)C1	ZINC000328952523	543098858	/nfs/dbraw/zinc/09/88/58/543098858.db2.gz	XSAFLYNQIVMCKQ-GOEBONIOSA-N	0	3	317.433	2.725	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CC[C@H](N3CCCCC3)C2)o1	ZINC000329240329	543101780	/nfs/dbraw/zinc/10/17/80/543101780.db2.gz	MPGYNWCBZFKJJC-KBPBESRZSA-N	0	3	306.410	2.518	20	30		DFEDHN
Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)[nH]1	ZINC000604482138	399849318	/nfs/dbraw/zinc/84/93/18/399849318.db2.gz	FDTMQXSTVHXAPP-UHFFFAOYSA-N	0	3	324.428	2.707	20	30		DFEDHN
N#Cc1ccccc1CSCCNCc1cnc2ccnn2c1	ZINC000604549805	399854913	/nfs/dbraw/zinc/85/49/13/399854913.db2.gz	RRMBSZOTBIXKHY-UHFFFAOYSA-N	0	3	323.425	2.624	20	30		DFEDHN
C=CCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1	ZINC000052497347	425884824	/nfs/dbraw/zinc/88/48/24/425884824.db2.gz	HQRBIZYHSPPPBM-KRWDZBQOSA-N	0	3	301.434	2.945	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C	ZINC000072665684	145189502	/nfs/dbraw/zinc/18/95/02/145189502.db2.gz	IXBIYQWFGCXXDW-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
CN(C[C@H]1CCCN1C)c1cccc(Br)c1C#N	ZINC000168567486	145244173	/nfs/dbraw/zinc/24/41/73/145244173.db2.gz	XONPUVSPCZGVGQ-LLVKDONJSA-N	0	3	308.223	2.851	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000170954536	145257100	/nfs/dbraw/zinc/25/71/00/145257100.db2.gz	VGWRPQNWPHCFQE-QAPCUYQASA-N	0	3	322.408	2.917	20	30		DFEDHN
C=CCC1(NCc2cn(C[C@H]3CCOC3)nn2)CCCCC1	ZINC000631151390	399991092	/nfs/dbraw/zinc/99/10/92/399991092.db2.gz	HXIQRXQZTNGXIY-OAHLLOKOSA-N	0	3	304.438	2.683	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1ccncc1)C(C)C	ZINC000631274637	400016542	/nfs/dbraw/zinc/01/65/42/400016542.db2.gz	REPLVZLPLJFBMW-SJLPKXTDSA-N	0	3	315.461	3.000	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCS[C@H]3CCCC[C@H]32)cc1	ZINC000246081443	146118731	/nfs/dbraw/zinc/11/87/31/146118731.db2.gz	TYMGDAVIRUJZID-ZACQAIPSSA-N	0	3	302.443	2.952	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)c1	ZINC000248874838	146172876	/nfs/dbraw/zinc/17/28/76/146172876.db2.gz	QYPGTZACXYTJLT-HNAYVOBHSA-N	0	3	319.408	2.809	20	30		DFEDHN
Cc1cc(C)n2c(CNCc3ccc(CC#N)cc3)cnc2n1	ZINC000565362467	543446779	/nfs/dbraw/zinc/44/67/79/543446779.db2.gz	DYZBZNGVMVXMRM-UHFFFAOYSA-N	0	3	305.385	2.702	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000358271360	148313683	/nfs/dbraw/zinc/31/36/83/148313683.db2.gz	GXAWRZQYXCYVCX-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@H](NC1CCC(S(C)(=O)=O)CC1)c1ccc(C#N)cc1F	ZINC000358576704	148391364	/nfs/dbraw/zinc/39/13/64/148391364.db2.gz	UPFIVGVIJXLEQV-XGNXJENSSA-N	0	3	324.421	2.704	20	30		DFEDHN
N#Cc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1	ZINC000361089165	149026460	/nfs/dbraw/zinc/02/64/60/149026460.db2.gz	VRDGBRZMIZLPFI-LJQANCHMSA-N	0	3	307.397	2.737	20	30		DFEDHN
N#Cc1cc(F)c(CNc2nc3ccc(F)cc3[nH]2)c(F)c1	ZINC000362635766	149330224	/nfs/dbraw/zinc/33/02/24/149330224.db2.gz	LGZDAZHJZOAZRW-UHFFFAOYSA-N	0	3	302.259	2.886	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H](C2CCOCC2)C1	ZINC000371414668	150042090	/nfs/dbraw/zinc/04/20/90/150042090.db2.gz	KMMOPKPJWNWYEK-MRXNPFEDSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#Cc1cnccc1NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000372226822	150151981	/nfs/dbraw/zinc/15/19/81/150151981.db2.gz	JPJZXELMFZFCOX-AWEZNQCLSA-N	0	3	312.442	2.761	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC(Cc3ccc(F)cc3)C2)cc1	ZINC000372377147	150169521	/nfs/dbraw/zinc/16/95/21/150169521.db2.gz	QUQVIMSATMPKNN-IBGZPJMESA-N	0	3	310.372	2.905	20	30		DFEDHN
CC(C)SCCN1CCCN(c2ncccc2C#N)CC1	ZINC000374343376	150347977	/nfs/dbraw/zinc/34/79/77/150347977.db2.gz	XAYZYHOIOSODMD-UHFFFAOYSA-N	0	3	304.463	2.607	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC000185333162	158054816	/nfs/dbraw/zinc/05/48/16/158054816.db2.gz	OLHGSYVGASXOAH-SFHVURJKSA-N	0	3	322.412	2.527	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1cccc(C#N)c1)[C@@H]1COc2ccccc21	ZINC000185619243	158066228	/nfs/dbraw/zinc/06/62/28/158066228.db2.gz	XIDGPEKCFWONKE-DYVFJYSZSA-N	0	3	321.380	2.651	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000246352185	158086886	/nfs/dbraw/zinc/08/68/86/158086886.db2.gz	WXVSTSZUXDOPPC-FUHWJXTLSA-N	0	3	300.402	2.694	20	30		DFEDHN
CC1CCN(C[C@@H](O)CNc2c(Cl)cccc2C#N)CC1	ZINC000301563195	158220074	/nfs/dbraw/zinc/22/00/74/158220074.db2.gz	VJUFQNPNCGHAEE-AWEZNQCLSA-N	0	3	307.825	2.716	20	30		DFEDHN
C#C[C@@H](NCc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)(C)C	ZINC000290226449	335070117	/nfs/dbraw/zinc/07/01/17/335070117.db2.gz	SKVAHWWUTIGJQP-QGZVFWFLSA-N	0	3	311.429	2.622	20	30		DFEDHN
CCC[C@@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000129119992	196021260	/nfs/dbraw/zinc/02/12/60/196021260.db2.gz	AWAKQIOCCTVDCX-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccn(CC)n1)C(C)C	ZINC000667693086	543660648	/nfs/dbraw/zinc/66/06/48/543660648.db2.gz	ZYBZJUCZTAPXLL-OAHLLOKOSA-N	0	3	319.453	2.723	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1nn(C)cc1C)C(C)C	ZINC000668222022	543771183	/nfs/dbraw/zinc/77/11/83/543771183.db2.gz	STTNRYWTHWDCMT-OAHLLOKOSA-N	0	3	319.453	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](OC)C1)C(C)C	ZINC000668682318	543845007	/nfs/dbraw/zinc/84/50/07/543845007.db2.gz	DPWMZDOUGFHQFF-BRWVUGGUSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1	ZINC000668717300	543853617	/nfs/dbraw/zinc/85/36/17/543853617.db2.gz	ULCZLEFYYUKHPF-QGZVFWFLSA-N	0	3	314.429	2.696	20	30		DFEDHN
CCN1CC[C@H](NCC#CCOC)[C@H]1c1ccc(Cl)c(F)c1	ZINC000670093456	544022414	/nfs/dbraw/zinc/02/24/14/544022414.db2.gz	HSEQNHGEDCDRTO-DLBZAZTESA-N	0	3	324.827	2.854	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000669813897	543997045	/nfs/dbraw/zinc/99/70/45/543997045.db2.gz	FUYBFEXVPHCXFO-MRXNPFEDSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000671616895	544089525	/nfs/dbraw/zinc/08/95/25/544089525.db2.gz	QMIRVQQILJKAKK-IEBWSBKVSA-N	0	3	316.445	2.778	20	30		DFEDHN
C=C(C)CN(CCCc1cnn(C)c1)Cc1ccc(CO)o1	ZINC000671720835	544102488	/nfs/dbraw/zinc/10/24/88/544102488.db2.gz	BGJPUDZNRHMENZ-UHFFFAOYSA-N	0	3	303.406	2.516	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@](CO)(c2ccccc2)C1	ZINC000291265922	222270498	/nfs/dbraw/zinc/27/04/98/222270498.db2.gz	PDEYAAOWDRCJGM-FQEVSTJZSA-N	0	3	322.408	2.573	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CN(CC)C[C@H]1C	ZINC000674789147	544259265	/nfs/dbraw/zinc/25/92/65/544259265.db2.gz	BWUOTISKBUNBRT-SJLPKXTDSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000675498041	544316393	/nfs/dbraw/zinc/31/63/93/544316393.db2.gz	YWFWDXOGNOGDFV-JKSUJKDBSA-N	0	3	321.465	2.631	20	30		DFEDHN
C=C(C)CCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1	ZINC000681402925	545637987	/nfs/dbraw/zinc/63/79/87/545637987.db2.gz	FKIDPOXIMNDNEU-KRWDZBQOSA-N	0	3	308.853	2.957	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCCOC[C@H]1C)C(C)C	ZINC000676540795	544384903	/nfs/dbraw/zinc/38/49/03/544384903.db2.gz	LQCOCEBHOINJEQ-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000677047895	544425714	/nfs/dbraw/zinc/42/57/14/544425714.db2.gz	JKMSXHLOALAUFZ-HXUWFJFHSA-N	0	3	310.441	2.894	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@H]2CCCCN2C[C@@H]1CC)OCC	ZINC000677314052	544468974	/nfs/dbraw/zinc/46/89/74/544468974.db2.gz	ZUIHKMHEYSNQCC-BBWFWOEESA-N	0	3	308.466	2.833	20	30		DFEDHN
CC#CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	ZINC000677839738	544548548	/nfs/dbraw/zinc/54/85/48/544548548.db2.gz	BKPSOXWSVIBOKY-INIZCTEOSA-N	0	3	314.429	2.693	20	30		DFEDHN
Cc1ccccc1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000298196374	228408713	/nfs/dbraw/zinc/40/87/13/228408713.db2.gz	DDXDGNQZFHGWDU-DOTOQJQBSA-N	0	3	310.397	2.957	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000679174916	544795415	/nfs/dbraw/zinc/79/54/15/544795415.db2.gz	QUUWPGAXKQTSTQ-HOTGVXAUSA-N	0	3	312.417	2.588	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(CC)C[C@@H]1CCCO1	ZINC000065353022	425902723	/nfs/dbraw/zinc/90/27/23/425902723.db2.gz	IWNUJRRRSVOBFU-ROUUACIJSA-N	0	3	319.445	2.656	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448900411	269841880	/nfs/dbraw/zinc/84/18/80/269841880.db2.gz	QSCHKOLKUHAMIO-CQSZACIVSA-N	0	3	324.428	2.756	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCC(C#N)CC2)C1	ZINC000067378685	425910003	/nfs/dbraw/zinc/91/00/03/425910003.db2.gz	BIXDMBYGTRDMJD-HNNXBMFYSA-N	0	3	307.438	2.869	20	30		DFEDHN
N#Cc1ccccc1OCCN1C[C@@H](O)C[C@@H]1c1ccccc1	ZINC000411957281	270000004	/nfs/dbraw/zinc/00/00/04/270000004.db2.gz	WPXLUOIZASYMAD-ZWKOTPCHSA-N	0	3	308.381	2.745	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413182853	270000021	/nfs/dbraw/zinc/00/00/21/270000021.db2.gz	HMWXHOAFHGEINZ-DGCLKSJQSA-N	0	3	300.362	2.812	20	30		DFEDHN
N#Cc1csc(CNCCOc2ccc([N+](=O)[O-])cc2)c1	ZINC000531117480	270002591	/nfs/dbraw/zinc/00/25/91/270002591.db2.gz	USCAKBGZMBOQRG-UHFFFAOYSA-N	0	3	303.343	2.697	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)c(F)c1	ZINC000533309554	270002769	/nfs/dbraw/zinc/00/27/69/270002769.db2.gz	FXRRMURHUQAATG-CQSZACIVSA-N	0	3	314.339	2.600	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C1CC1)N1CCCC1	ZINC000126517596	265604800	/nfs/dbraw/zinc/60/48/00/265604800.db2.gz	NEPFMYWIVUSPMC-IBGZPJMESA-N	0	3	323.440	2.947	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000352655565	266026777	/nfs/dbraw/zinc/02/67/77/266026777.db2.gz	JFHTVOKMHBUSSX-CQSZACIVSA-N	0	3	302.422	2.650	20	30		DFEDHN
CCCCN(C)CCNC(=O)Nc1cc(C#N)ccc1OCC	ZINC000352672766	266027564	/nfs/dbraw/zinc/02/75/64/266027564.db2.gz	ALHAZWAWVZQBIC-UHFFFAOYSA-N	0	3	318.421	2.810	20	30		DFEDHN
CC(C)(CNC(=O)NCc1ccc(C#N)s1)N1CCCCC1	ZINC000420778174	266880805	/nfs/dbraw/zinc/88/08/05/266880805.db2.gz	YYKSXMAYFWAMCM-UHFFFAOYSA-N	0	3	320.462	2.683	20	30		DFEDHN
CCCCN(C)CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425461848	267005476	/nfs/dbraw/zinc/00/54/76/267005476.db2.gz	CSKFSEZUDUMGSY-HNNXBMFYSA-N	0	3	316.449	2.993	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1(F)F	ZINC000290908622	267040272	/nfs/dbraw/zinc/04/02/72/267040272.db2.gz	LKYCLERZGOGKFF-IUODEOHRSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000337008877	267045238	/nfs/dbraw/zinc/04/52/38/267045238.db2.gz	DFHNRKBQNGWSNB-NOZJJQNGSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000342285303	267081590	/nfs/dbraw/zinc/08/15/90/267081590.db2.gz	UJXFIGGHMQQJIA-ZBFHGGJFSA-N	0	3	323.396	2.934	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C	ZINC000280640150	267103378	/nfs/dbraw/zinc/10/33/78/267103378.db2.gz	ZKSHKMZHEORAOV-XEZPLFJOSA-N	0	3	313.426	2.593	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCN1C	ZINC000342337457	267105957	/nfs/dbraw/zinc/10/59/57/267105957.db2.gz	CTNYCZAJJNEFBI-OCCSQVGLSA-N	0	3	317.437	2.719	20	30		DFEDHN
C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(Br)cc1C#N	ZINC000347005427	267107280	/nfs/dbraw/zinc/10/72/80/267107280.db2.gz	ABEQUJBARIJXRR-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280640145	267109010	/nfs/dbraw/zinc/10/90/10/267109010.db2.gz	ZKSHKMZHEORAOV-DVOMOZLQSA-N	0	3	313.426	2.593	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000280115942	267161683	/nfs/dbraw/zinc/16/16/83/267161683.db2.gz	UFMZJBDTSGCYLT-DOMZBBRYSA-N	0	3	324.409	2.617	20	30		DFEDHN
C[C@H](COCc1ccccc1)NCc1cnc2ccc(C#N)cn12	ZINC000342799766	267164617	/nfs/dbraw/zinc/16/46/17/267164617.db2.gz	NETPAFVANGQLNM-OAHLLOKOSA-N	0	3	320.396	2.901	20	30		DFEDHN
CCS(=O)(=O)CCCN[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000414342403	267177094	/nfs/dbraw/zinc/17/70/94/267177094.db2.gz	POPUYWHWJWDLQT-QGZVFWFLSA-N	0	3	320.458	2.740	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000350785875	267177387	/nfs/dbraw/zinc/17/73/87/267177387.db2.gz	XTBQTWWBCGXDJL-WFASDCNBSA-N	0	3	322.343	2.652	20	30		DFEDHN
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccon1	ZINC000349834344	267179312	/nfs/dbraw/zinc/17/93/12/267179312.db2.gz	OJKVELRGMPOREI-AWEZNQCLSA-N	0	3	310.401	2.861	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1c(F)cccc1C#N	ZINC000352251602	267214524	/nfs/dbraw/zinc/21/45/24/267214524.db2.gz	SKRMCWASRIDLEU-KBPBESRZSA-N	0	3	317.408	2.619	20	30		DFEDHN
C[C@H]1CN(C(=O)c2cccc(F)c2C#N)CCN(C2CCC2)C1	ZINC000344715406	267225946	/nfs/dbraw/zinc/22/59/46/267225946.db2.gz	OETSGCLMVXIOSE-CYBMUJFWSA-N	0	3	315.392	2.644	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCCN1C	ZINC000345098411	267250649	/nfs/dbraw/zinc/25/06/49/267250649.db2.gz	OYADRPPTIWLLPY-GWCFXTLKSA-N	0	3	306.797	2.816	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCS1	ZINC000280158637	267260006	/nfs/dbraw/zinc/26/00/06/267260006.db2.gz	RXTAYRRPXIRPQH-NVXWUHKLSA-N	0	3	313.426	2.642	20	30		DFEDHN
C[C@]1(CO)CCC[C@@H]1NCc1ccc(Br)cc1C#N	ZINC000347218960	267262129	/nfs/dbraw/zinc/26/21/29/267262129.db2.gz	BZHZBWHJAMJKRZ-LSDHHAIUSA-N	0	3	323.234	2.961	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000338171740	267277216	/nfs/dbraw/zinc/27/72/16/267277216.db2.gz	CALSWPRURMQEOT-RTBURBONSA-N	0	3	319.408	2.694	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000457204698	267278513	/nfs/dbraw/zinc/27/85/13/267278513.db2.gz	KHZIHKAEIXQNPO-UHFFFAOYSA-N	0	3	317.433	2.564	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@]1(N(C)C)CCSC1	ZINC000331199929	267279558	/nfs/dbraw/zinc/27/95/58/267279558.db2.gz	WFFZYGRVBMJVCP-MRXNPFEDSA-N	0	3	318.446	2.630	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2cscc2C#N)cc1	ZINC000432666395	267280355	/nfs/dbraw/zinc/28/03/55/267280355.db2.gz	GAPCNLNZYNWEBR-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)n1)c1ccc(Cl)cc1	ZINC000519579097	267285966	/nfs/dbraw/zinc/28/59/66/267285966.db2.gz	XZRIGQOKYFNMHG-AWEZNQCLSA-N	0	3	301.781	2.716	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000433357380	267288290	/nfs/dbraw/zinc/28/82/90/267288290.db2.gz	XGXCSIFYRORXPT-GOSISDBHSA-N	0	3	307.397	2.867	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)n1)c1ccc(Cl)cc1	ZINC000519579099	267288903	/nfs/dbraw/zinc/28/89/03/267288903.db2.gz	XZRIGQOKYFNMHG-CQSZACIVSA-N	0	3	301.781	2.716	20	30		DFEDHN
Cc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399554415	267301933	/nfs/dbraw/zinc/30/19/33/267301933.db2.gz	AULVJUZKAWOHRW-GOSISDBHSA-N	0	3	306.413	2.760	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000421068455	267309519	/nfs/dbraw/zinc/30/95/19/267309519.db2.gz	ODNIJSYVNHYUDM-GFCCVEGCSA-N	0	3	306.797	2.770	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(CC(F)(F)F)CC1	ZINC000449757536	267315792	/nfs/dbraw/zinc/31/57/92/267315792.db2.gz	DLZKCMUQNXAWME-UHFFFAOYSA-N	0	3	301.312	2.610	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)n1	ZINC000341817807	267317309	/nfs/dbraw/zinc/31/73/09/267317309.db2.gz	BWFJVTKFJWAWGC-ZBFHGGJFSA-N	0	3	307.401	2.904	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)c2cc(C#N)c[nH]2)CCC1	ZINC000452728563	267320846	/nfs/dbraw/zinc/32/08/46/267320846.db2.gz	IUHWRVQVOKNDDZ-UHFFFAOYSA-N	0	3	322.412	2.671	20	30		DFEDHN
Cc1cc(CNCCn2cc(Br)cn2)ccc1C#N	ZINC000353087423	267326696	/nfs/dbraw/zinc/32/66/96/267326696.db2.gz	KTUZNJJTNDPVEV-UHFFFAOYSA-N	0	3	319.206	2.616	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000413623702	267341269	/nfs/dbraw/zinc/34/12/69/267341269.db2.gz	HZKNHOGSUUUFPL-HCXYKTFWSA-N	0	3	323.440	2.604	20	30		DFEDHN
COC(=O)C1(CNCc2ccc(C#N)c(OC)c2)CCCCC1	ZINC000442854388	267355879	/nfs/dbraw/zinc/35/58/79/267355879.db2.gz	NUWIWQYNGUWRFR-UHFFFAOYSA-N	0	3	316.401	2.780	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000449752686	267390340	/nfs/dbraw/zinc/39/03/40/267390340.db2.gz	GDCNZMLYVYDJAL-OALUTQOASA-N	0	3	320.392	2.947	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000030532671	267393851	/nfs/dbraw/zinc/39/38/51/267393851.db2.gz	QFPGKLMLFSCSJE-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2ncc(C#N)cc2Cl)C[C@@H](C)C1	ZINC000488757861	267788843	/nfs/dbraw/zinc/78/88/43/267788843.db2.gz	ISHHDUPTDMRVMA-YWPYICTPSA-N	0	3	304.825	2.773	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000448651067	267927567	/nfs/dbraw/zinc/92/75/67/267927567.db2.gz	UYYSZJSZQPEHMY-GOSISDBHSA-N	0	3	322.412	2.762	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@H]2CCCc3c2cnn3C)cc1	ZINC000030908639	425833565	/nfs/dbraw/zinc/83/35/65/425833565.db2.gz	XHZWJFVCOPTSDF-SFHVURJKSA-N	0	3	323.444	2.937	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccccc2)cc1	ZINC000347955767	268084821	/nfs/dbraw/zinc/08/48/21/268084821.db2.gz	LALQBXWLVOJSQD-SFHVURJKSA-N	0	3	303.365	2.599	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2cccs2)cc1	ZINC000347975882	268085348	/nfs/dbraw/zinc/08/53/48/268085348.db2.gz	WZCFMHBTJZKZQZ-HNNXBMFYSA-N	0	3	309.394	2.661	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H](C2CC2)C(F)(F)F)cc1	ZINC000289996763	268086855	/nfs/dbraw/zinc/08/68/55/268086855.db2.gz	FKFMHKUMNGHHHG-KBPBESRZSA-N	0	3	321.302	2.698	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(F)c2)cc1	ZINC000348009302	268090564	/nfs/dbraw/zinc/09/05/64/268090564.db2.gz	XUSUBCJXJCSXGY-QGZVFWFLSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CC[C@H](C4CC4)C3)C2=O)cc1	ZINC000352778599	268110555	/nfs/dbraw/zinc/11/05/55/268110555.db2.gz	LDGCRWJIVCVOIT-FUHWJXTLSA-N	0	3	309.413	2.786	20	30		DFEDHN
CCC[C@]1(COC)CCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000194927586	268121726	/nfs/dbraw/zinc/12/17/26/268121726.db2.gz	UHERLIRKKTWYMQ-GOSISDBHSA-N	0	3	315.417	2.778	20	30		DFEDHN
CCC[C@@]1(COC)CCCN1CC(=O)Nc1cccc(C#N)c1	ZINC000194942193	268122432	/nfs/dbraw/zinc/12/24/32/268122432.db2.gz	PVEGUQHRVGTIIN-SFHVURJKSA-N	0	3	315.417	2.778	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](C4CC4)C3)C2=O)cc1	ZINC000344001362	268123692	/nfs/dbraw/zinc/12/36/92/268123692.db2.gz	ZASXHBVZIRNZCA-SJLPKXTDSA-N	0	3	309.413	2.786	20	30		DFEDHN
CCN(CCCNCc1ccc(C#N)o1)C(=O)OC(C)(C)C	ZINC000230654636	268146506	/nfs/dbraw/zinc/14/65/06/268146506.db2.gz	VWRQJSLLCPGNPY-UHFFFAOYSA-N	0	3	307.394	2.888	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(OCC3CC3)CC2)cc1	ZINC000360022225	268172124	/nfs/dbraw/zinc/17/21/24/268172124.db2.gz	PBIROSJPQCRULB-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
CN(C)CCOc1cc(CNc2ccc(F)cc2C#N)ccn1	ZINC000270626229	268193484	/nfs/dbraw/zinc/19/34/84/268193484.db2.gz	DJHPOWMAGOUSEQ-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@@H]1COc3ccccc3O1)CC2	ZINC000353349688	268223379	/nfs/dbraw/zinc/22/33/79/268223379.db2.gz	LLRQFBGWGIKVAR-NVXWUHKLSA-N	0	3	306.365	2.975	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCNC(=O)CC1CCCC1)CC2	ZINC000353411078	268223612	/nfs/dbraw/zinc/22/36/12/268223612.db2.gz	JNCPRJRMDOHDPB-GOSISDBHSA-N	0	3	311.429	2.832	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCc3cccc(F)c3F)n2c1	ZINC000344393011	268225375	/nfs/dbraw/zinc/22/53/75/268225375.db2.gz	WDXKKHHNOOZBIR-UHFFFAOYSA-N	0	3	312.323	2.816	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](O)COc2ccc(Cl)cc2)s1	ZINC000519595714	268233706	/nfs/dbraw/zinc/23/37/06/268233706.db2.gz	QIXKUUYUJZKVGG-LBPRGKRZSA-N	0	3	322.817	2.803	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1F	ZINC000421359484	268233848	/nfs/dbraw/zinc/23/38/48/268233848.db2.gz	WXWBSZRYJCGPSY-MJGOQNOKSA-N	0	3	310.372	2.953	20	30		DFEDHN
CC[C@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1c(F)cccc1F	ZINC000276592512	268262471	/nfs/dbraw/zinc/26/24/71/268262471.db2.gz	DVWMZHOLOHNDPJ-DOTOQJQBSA-N	0	3	319.355	2.777	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@@H](CO)c2ccsc2)c1	ZINC000352030820	268273421	/nfs/dbraw/zinc/27/34/21/268273421.db2.gz	BIQOOFZOPGANGK-INIZCTEOSA-N	0	3	302.399	2.712	20	30		DFEDHN
N#Cc1cccc(CNCc2cccc(CN3CCOCC3)c2)c1	ZINC000048745605	425877057	/nfs/dbraw/zinc/87/70/57/425877057.db2.gz	OINCFXKIWWDQLW-UHFFFAOYSA-N	0	3	321.424	2.680	20	30		DFEDHN
N#Cc1cccc(OCCN[C@@]2(CO)CCCc3ccccc32)c1	ZINC000440467361	268285276	/nfs/dbraw/zinc/28/52/76/268285276.db2.gz	LVSFYQAUDLZDDT-HXUWFJFHSA-N	0	3	322.408	2.751	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN2CCC[C@](O)(CO)C2)cc1	ZINC000459653715	268295295	/nfs/dbraw/zinc/29/52/95/268295295.db2.gz	YDHPWOGCIFKPDJ-HXUWFJFHSA-N	0	3	322.408	2.544	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CCC(C2CCC2)CC1	ZINC000528544780	268298972	/nfs/dbraw/zinc/29/89/72/268298972.db2.gz	BYSXVPKMPBVNMQ-GOSISDBHSA-N	0	3	314.429	2.810	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCCc2occc21	ZINC000530230222	268305284	/nfs/dbraw/zinc/30/52/84/268305284.db2.gz	FTFMXGABBWRDRP-ZBFHGGJFSA-N	0	3	312.369	2.558	20	30		DFEDHN
C[C@H]1CCCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000316502948	268344655	/nfs/dbraw/zinc/34/46/55/268344655.db2.gz	ADVREYRGJIVBLB-HOCLYGCPSA-N	0	3	320.458	2.748	20	30		DFEDHN
CCOC(=O)CC1CCN(CCOc2ccccc2C#N)CC1	ZINC000125669078	425984490	/nfs/dbraw/zinc/98/44/90/425984490.db2.gz	LYJNLUAEANMMBU-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
COc1ccc(CN[C@@H](CN(C)C)c2ccccc2)cc1C#N	ZINC000124929926	425945504	/nfs/dbraw/zinc/94/55/04/425945504.db2.gz	LQOYRZHWGBENFR-SFHVURJKSA-N	0	3	309.413	2.959	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000125168833	425956735	/nfs/dbraw/zinc/95/67/35/425956735.db2.gz	MIMYOSIHVGLGDD-MAUKXSAKSA-N	0	3	321.428	2.838	20	30		DFEDHN
O=C1C[C@@H]([C@@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CN1	ZINC000125198476	425959197	/nfs/dbraw/zinc/95/91/97/425959197.db2.gz	NCIYHZJWEZQJGO-WBVHZDCISA-N	0	3	316.832	2.682	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](OC)c2ccccc2)CC1	ZINC000106036133	425970533	/nfs/dbraw/zinc/97/05/33/425970533.db2.gz	CLQKQFJHRUYQOZ-KRWDZBQOSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(OCC)c2)CC1	ZINC000106034934	425970625	/nfs/dbraw/zinc/97/06/25/425970625.db2.gz	ABESPEXVLPDONE-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1	ZINC000106035412	425970825	/nfs/dbraw/zinc/97/08/25/425970825.db2.gz	AHVJSMUQGUESHU-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccnn2C(C)C)CC1	ZINC000106252934	425971334	/nfs/dbraw/zinc/97/13/34/425971334.db2.gz	IHMWFGROUZEVIC-UHFFFAOYSA-N	0	3	305.426	2.626	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@H](C)S1	ZINC000070383177	425971504	/nfs/dbraw/zinc/97/15/04/425971504.db2.gz	ZOSJIKLSJAGBCM-BETUJISGSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccsc2)CC1	ZINC000106259204	425971951	/nfs/dbraw/zinc/97/19/51/425971951.db2.gz	DYOARSUARHWTLW-UHFFFAOYSA-N	0	3	307.463	2.630	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1	ZINC000106255602	425972018	/nfs/dbraw/zinc/97/20/18/425972018.db2.gz	JTZRCXQYMLPYTB-UHFFFAOYSA-N	0	3	319.424	2.974	20	30		DFEDHN
CN(CCOc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1	ZINC000126911164	426042221	/nfs/dbraw/zinc/04/22/21/426042221.db2.gz	SSPVKTRTIBAINL-QGZVFWFLSA-N	0	3	314.360	2.742	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C#N)[nH]1	ZINC000161937420	426045824	/nfs/dbraw/zinc/04/58/24/426045824.db2.gz	WTXDKHXKSBWBTC-UHFFFAOYSA-N	0	3	324.428	2.523	20	30		DFEDHN
Cc1cccc(CN2CCN(CCCSCC#N)CC2)c1	ZINC000074980475	426059496	/nfs/dbraw/zinc/05/94/96/426059496.db2.gz	UDJFNPKIGKMKHF-UHFFFAOYSA-N	0	3	303.475	2.760	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(CC)C1	ZINC000111836735	426060296	/nfs/dbraw/zinc/06/02/96/426060296.db2.gz	HHKUHOOEXVYDJA-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(CC)C1	ZINC000111836736	426060416	/nfs/dbraw/zinc/06/04/16/426060416.db2.gz	HHKUHOOEXVYDJA-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
CCn1cc(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000127357508	426062964	/nfs/dbraw/zinc/06/29/64/426062964.db2.gz	GDQUDLZVCGOTHN-LJQANCHMSA-N	0	3	324.428	2.688	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1	ZINC000108508490	426018163	/nfs/dbraw/zinc/01/81/63/426018163.db2.gz	HENLBNHSTZKEHM-CQSZACIVSA-N	0	3	303.406	2.715	20	30		DFEDHN
CC[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163147880	426091616	/nfs/dbraw/zinc/09/16/16/426091616.db2.gz	CZWMRKRCYIRREW-NVXWUHKLSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000127953425	426094151	/nfs/dbraw/zinc/09/41/51/426094151.db2.gz	NNPIFMCZIDWNQP-AEFFLSMTSA-N	0	3	300.402	2.564	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=CCCCC1	ZINC000128182982	426105963	/nfs/dbraw/zinc/10/59/63/426105963.db2.gz	QXUHKYZJSXYCQE-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C	ZINC000076389751	426110603	/nfs/dbraw/zinc/11/06/03/426110603.db2.gz	MRFVZUYDTGTQFD-IJEWVQPXSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000076735259	426116392	/nfs/dbraw/zinc/11/63/92/426116392.db2.gz	YQFFLXOOCGKXPT-KRWDZBQOSA-N	0	3	315.461	2.622	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)Cc1ccc(C#N)cc1	ZINC000077250880	426125099	/nfs/dbraw/zinc/12/50/99/426125099.db2.gz	OERQXCGANWCOBI-UHFFFAOYSA-N	0	3	321.380	2.949	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC[C@@H](C)C1	ZINC000077499617	426137353	/nfs/dbraw/zinc/13/73/53/426137353.db2.gz	FUAUQENVUQSPOM-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=CCCCCCN(C)Cc1c(C)nn(C)c1N1CCOCC1	ZINC000127771886	426084820	/nfs/dbraw/zinc/08/48/20/426084820.db2.gz	OEYOUDOCEDFMGW-UHFFFAOYSA-N	0	3	320.481	2.743	20	30		DFEDHN
C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC1(C#N)CCCCC1	ZINC000075837578	426086709	/nfs/dbraw/zinc/08/67/09/426086709.db2.gz	ZKQQGQFRQWIALP-OAGGEKHMSA-N	0	3	303.450	2.982	20	30		DFEDHN
C[C@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000116876887	426200296	/nfs/dbraw/zinc/20/02/96/426200296.db2.gz	ZLBHWPZFPFIZKR-MRXNPFEDSA-N	0	3	306.413	2.879	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCO3)CC1	ZINC000171639662	426201098	/nfs/dbraw/zinc/20/10/98/426201098.db2.gz	BHMMJJLEJXFRBX-UHFFFAOYSA-N	0	3	315.417	2.784	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)c(F)cc2F)CC1	ZINC000171641228	426201156	/nfs/dbraw/zinc/20/11/56/426201156.db2.gz	BVVSFXKJTTULBM-UHFFFAOYSA-N	0	3	313.323	2.876	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2ccc(OC)cc2)CC1	ZINC000171724226	426206705	/nfs/dbraw/zinc/20/67/05/426206705.db2.gz	HXUZDUCSHBEXKM-UHFFFAOYSA-N	0	3	320.458	2.554	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000134956896	426201625	/nfs/dbraw/zinc/20/16/25/426201625.db2.gz	MJTLNRMZTIHIGX-SFHVURJKSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC1CCN(CC=C)CC1	ZINC000171719538	426206753	/nfs/dbraw/zinc/20/67/53/426206753.db2.gz	NAUFHDXWJNWTCJ-UHFFFAOYSA-N	0	3	300.402	2.632	20	30		DFEDHN
COc1ccc(CN2CCC(Cn3cccn3)CC2)cc1C#N	ZINC000135054636	426203918	/nfs/dbraw/zinc/20/39/18/426203918.db2.gz	KBMUMTBDCPNVBH-UHFFFAOYSA-N	0	3	310.401	2.676	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000114723867	426143089	/nfs/dbraw/zinc/14/30/89/426143089.db2.gz	SHCLPJKCKGJFQQ-UHFFFAOYSA-N	0	3	303.362	2.906	20	30		DFEDHN
COc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1C#N	ZINC000135091630	426205300	/nfs/dbraw/zinc/20/53/00/426205300.db2.gz	IDUPKGIYFASMJP-MRXNPFEDSA-N	0	3	322.412	2.896	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCCn2cccn2)c([O-])c1	ZINC000078368792	426167073	/nfs/dbraw/zinc/16/70/73/426167073.db2.gz	SOGJNHUJHISADU-NBVRZTHBSA-N	0	3	300.406	2.944	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCOC1	ZINC000132038274	426168172	/nfs/dbraw/zinc/16/81/72/426168172.db2.gz	AZSLDLJDICMOEH-QGZVFWFLSA-N	0	3	310.401	2.684	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000132308249	426168739	/nfs/dbraw/zinc/16/87/39/426168739.db2.gz	LPMZORVLWHLRBW-HNNXBMFYSA-N	0	3	320.389	2.765	20	30		DFEDHN
C[C@H](CCc1ccccc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594995	426169460	/nfs/dbraw/zinc/16/94/60/426169460.db2.gz	KECNZJGAQRDHGA-RDTXWAMCSA-N	0	3	307.397	2.696	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1	ZINC000133628922	426184083	/nfs/dbraw/zinc/18/40/83/426184083.db2.gz	MUNWXUOCLDZYJP-MSOLQXFVSA-N	0	3	324.428	2.568	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1	ZINC000133917224	426185312	/nfs/dbraw/zinc/18/53/12/426185312.db2.gz	IFTDGUMZYXPTGZ-NXHRZFHOSA-N	0	3	313.445	2.920	20	30		DFEDHN
CS[C@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000134593132	426188486	/nfs/dbraw/zinc/18/84/86/426188486.db2.gz	BHPYFAAXAQNSOV-CABCVRRESA-N	0	3	323.506	2.935	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccn1)C(C)C	ZINC000079440389	426192715	/nfs/dbraw/zinc/19/27/15/426192715.db2.gz	VIFXIYTZVBYXAD-HNNXBMFYSA-N	0	3	302.422	2.902	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC1	ZINC000134721634	426193592	/nfs/dbraw/zinc/19/35/92/426193592.db2.gz	RDSLWDVEOVUHRI-AWEZNQCLSA-N	0	3	317.458	2.770	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3sccc3C2)CC1	ZINC000171560775	426195010	/nfs/dbraw/zinc/19/50/10/426195010.db2.gz	BHVMWDAYFOQZBX-UHFFFAOYSA-N	0	3	319.474	2.856	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(N(CC)CC)cc2)CC1	ZINC000171566304	426195372	/nfs/dbraw/zinc/19/53/72/426195372.db2.gz	QPYRYUQWIXOFQH-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2Cl)CC1	ZINC000171719456	426206834	/nfs/dbraw/zinc/20/68/34/426206834.db2.gz	QATBDUFXCQBGJY-CYBMUJFWSA-N	0	3	322.836	2.874	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000079556156	426197367	/nfs/dbraw/zinc/19/73/67/426197367.db2.gz	MIBULALOQGQHKZ-YOEHRIQHSA-N	0	3	322.412	2.669	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000079556154	426197546	/nfs/dbraw/zinc/19/75/46/426197546.db2.gz	MIBULALOQGQHKZ-PBHICJAKSA-N	0	3	322.412	2.669	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)CN1Cc1ccccc1	ZINC000134917701	426199492	/nfs/dbraw/zinc/19/94/92/426199492.db2.gz	WNRCZPIKJHJVNY-BEFAXECRSA-N	0	3	319.408	2.951	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C	ZINC000135642682	426224468	/nfs/dbraw/zinc/22/44/68/426224468.db2.gz	YXFRKFURQLGDQZ-KRWDZBQOSA-N	0	3	310.401	2.680	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)cs1	ZINC000084182369	426233998	/nfs/dbraw/zinc/23/39/98/426233998.db2.gz	PDTBWXAZRMZLGU-HNNXBMFYSA-N	0	3	313.426	2.522	20	30		DFEDHN
CC(C)n1cnnc1[C@H]1CCCN(CCCSCC#N)C1	ZINC000136057357	426234649	/nfs/dbraw/zinc/23/46/49/426234649.db2.gz	UPGARDUSAVZJIS-AWEZNQCLSA-N	0	3	307.467	2.685	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000118398347	426234827	/nfs/dbraw/zinc/23/48/27/426234827.db2.gz	VTLIJHNVDUUHOB-BBRMVZONSA-N	0	3	309.417	2.939	20	30		DFEDHN
COc1cc(OC)cc(OCCCNCc2ccc(C#N)o2)c1	ZINC000084959692	426247314	/nfs/dbraw/zinc/24/73/14/426247314.db2.gz	KYYWBRFLRWKXFV-UHFFFAOYSA-N	0	3	316.357	2.727	20	30		DFEDHN
C=CCCOCC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000145660424	426258514	/nfs/dbraw/zinc/25/85/14/426258514.db2.gz	VMSHMQSUVILPSS-UHFFFAOYSA-N	0	3	322.474	2.669	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(OC(C)C)c2)CC1	ZINC000171717220	426206902	/nfs/dbraw/zinc/20/69/02/426206902.db2.gz	UNRBBIDWMNOWAA-UHFFFAOYSA-N	0	3	316.445	2.783	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)Cc2cccs2)CC1	ZINC000171712726	426207076	/nfs/dbraw/zinc/20/70/76/426207076.db2.gz	HZQSQQBGZHYTSC-CYBMUJFWSA-N	0	3	307.463	2.629	20	30		DFEDHN
CC(=O)NC[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000135152530	426207343	/nfs/dbraw/zinc/20/73/43/426207343.db2.gz	FIXBSZCJSHSQIM-MRXNPFEDSA-N	0	3	313.445	2.836	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1	ZINC000175553943	426313118	/nfs/dbraw/zinc/31/31/18/426313118.db2.gz	SMOHEXKCQRVDHP-CYBMUJFWSA-N	0	3	310.401	2.746	20	30		DFEDHN
C=CCCS(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000120667288	426313139	/nfs/dbraw/zinc/31/31/39/426313139.db2.gz	RZCNYUFKDIXTQO-OAHLLOKOSA-N	0	3	322.474	2.708	20	30		DFEDHN
CC(C)[C@H](CNc1cnc(C#N)cn1)N1CCc2ccccc2C1	ZINC000121347848	426336304	/nfs/dbraw/zinc/33/63/04/426336304.db2.gz	RAGMQXVVOZOTHL-SFHVURJKSA-N	0	3	321.428	2.843	20	30		DFEDHN
CC[C@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000121359655	426336807	/nfs/dbraw/zinc/33/68/07/426336807.db2.gz	DXCQENKMNAHGRB-PKOBYXMFSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1	ZINC000092217831	426348544	/nfs/dbraw/zinc/34/85/44/426348544.db2.gz	BRLFKRNRPWKEFP-SFHVURJKSA-N	0	3	316.445	2.548	20	30		DFEDHN
COC(=O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000092643752	426351921	/nfs/dbraw/zinc/35/19/21/426351921.db2.gz	JCWOGJKFSKZSQJ-INIZCTEOSA-N	0	3	316.401	2.754	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1	ZINC000093479731	426356853	/nfs/dbraw/zinc/35/68/53/426356853.db2.gz	YXQRPGAISMDKLT-MTKWDUKCSA-N	0	3	300.402	2.570	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000122107688	426359013	/nfs/dbraw/zinc/35/90/13/426359013.db2.gz	PZMRMZSLYUJTAP-MRXNPFEDSA-N	0	3	316.401	2.602	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(Cn2cccn2)CC1	ZINC000122100285	426359112	/nfs/dbraw/zinc/35/91/12/426359112.db2.gz	PDPFGSATVUZRFJ-UHFFFAOYSA-N	0	3	309.413	2.807	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@](C)(O)c1cccs1	ZINC000153012106	426366076	/nfs/dbraw/zinc/36/60/76/426366076.db2.gz	MLKGOUUBBREUEI-QGZVFWFLSA-N	0	3	301.411	2.757	20	30		DFEDHN
C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccccc1	ZINC000122428940	426375086	/nfs/dbraw/zinc/37/50/86/426375086.db2.gz	LPRAYBWQPLQPBX-LJQANCHMSA-N	0	3	322.412	2.671	20	30		DFEDHN
CCCN(CCN(CC)CC)CC(=O)Nc1cccc(C#N)c1	ZINC000122641800	426385932	/nfs/dbraw/zinc/38/59/32/426385932.db2.gz	WGDTXJRKOSXLQP-UHFFFAOYSA-N	0	3	316.449	2.551	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123386761	426430841	/nfs/dbraw/zinc/43/08/41/426430841.db2.gz	ZTJSJLDSARGQCV-PBHICJAKSA-N	0	3	312.417	2.891	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000123675045	426447687	/nfs/dbraw/zinc/44/76/87/426447687.db2.gz	CVTSSDAKBJMXKA-QGZVFWFLSA-N	0	3	324.428	2.625	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1	ZINC000123751357	426451337	/nfs/dbraw/zinc/45/13/37/426451337.db2.gz	GOQAMQXVWWLAMR-HNNXBMFYSA-N	0	3	312.392	2.886	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000123776444	426452290	/nfs/dbraw/zinc/45/22/90/426452290.db2.gz	IUHAQEPUKWIQBX-MRXNPFEDSA-N	0	3	324.428	2.625	20	30		DFEDHN
CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(OC)cc1	ZINC000124165932	426473786	/nfs/dbraw/zinc/47/37/86/426473786.db2.gz	AUJJCLIKZYZRBB-WMZOPIPTSA-N	0	3	317.433	2.790	20	30		DFEDHN
COc1cccc2c1OC[C@@H](NCc1cc(C#N)cs1)C2	ZINC000177695805	426507767	/nfs/dbraw/zinc/50/77/67/426507767.db2.gz	CHKMUYHRQOVUSX-ZDUSSCGKSA-N	0	3	300.383	2.722	20	30		DFEDHN
CC(C)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000195306669	426514132	/nfs/dbraw/zinc/51/41/32/426514132.db2.gz	IAQICQMCZNBCAR-UHFFFAOYSA-N	0	3	312.335	2.513	20	30		DFEDHN
Cn1nccc1C1CCN(CCOc2ccccc2C#N)CC1	ZINC000195503985	426529210	/nfs/dbraw/zinc/52/92/10/426529210.db2.gz	AYJKEIMMQMMNFA-UHFFFAOYSA-N	0	3	310.401	2.550	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1	ZINC000186215744	426495537	/nfs/dbraw/zinc/49/55/37/426495537.db2.gz	KPQUCDZPKQPKAS-SFHVURJKSA-N	0	3	323.444	2.987	20	30		DFEDHN
CCOC(=O)N[C@@H](CNCc1ccc(C#N)s1)CC(C)C	ZINC000177566445	426495575	/nfs/dbraw/zinc/49/55/75/426495575.db2.gz	NCYKVOWMKDCTJM-GFCCVEGCSA-N	0	3	309.435	2.870	20	30		DFEDHN
CN(C)c1ncccc1O[C@@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000289286326	426620609	/nfs/dbraw/zinc/62/06/09/426620609.db2.gz	GQONVFWXEADTFI-QGZVFWFLSA-N	0	3	322.412	2.673	20	30		DFEDHN
COc1cccc([C@@H](CNc2nccc(C)c2C#N)N(C)C)c1	ZINC000273087871	426590668	/nfs/dbraw/zinc/59/06/68/426590668.db2.gz	ZDYQKEAQQDFCQU-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@@](C)(O)CCOC)ccc1OC	ZINC000265259922	426608978	/nfs/dbraw/zinc/60/89/78/426608978.db2.gz	QMZIPXDHVYFWSD-SFHVURJKSA-N	0	3	323.433	2.527	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2nccnc2C#N)CC1	ZINC000450876626	269584398	/nfs/dbraw/zinc/58/43/98/269584398.db2.gz	JRDBYRMOHBRJOU-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)on2)CC1	ZINC000264496410	426563724	/nfs/dbraw/zinc/56/37/24/426563724.db2.gz	PEHVKTOPLGPGCI-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
CC[C@@H](CNCc1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000227718009	426631717	/nfs/dbraw/zinc/63/17/17/426631717.db2.gz	UUDOESDBIRQRBD-HNNXBMFYSA-N	0	3	303.406	2.951	20	30		DFEDHN
Cc1ccnc(NC2CCN(CCOC(C)C)CC2)c1C#N	ZINC000273307422	426639528	/nfs/dbraw/zinc/63/95/28/426639528.db2.gz	HXAGXPRUKNOIFS-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1c(OC)cc(OC)cc1OC	ZINC000280727706	426643020	/nfs/dbraw/zinc/64/30/20/426643020.db2.gz	VLQHBKDNYWAPDN-FZKQIMNGSA-N	0	3	321.417	2.783	20	30		DFEDHN
C=CC[C@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1	ZINC000187290450	426645802	/nfs/dbraw/zinc/64/58/02/426645802.db2.gz	NGVGFBYHMYANCY-INIZCTEOSA-N	0	3	312.417	2.743	20	30		DFEDHN
C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000289428864	426655289	/nfs/dbraw/zinc/65/52/89/426655289.db2.gz	IVMSONGPKJWMFU-FZKQIMNGSA-N	0	3	317.408	2.948	20	30		DFEDHN
COCCCN1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1	ZINC000273422934	426662588	/nfs/dbraw/zinc/66/25/88/426662588.db2.gz	ZCBPWOPLKNRWPG-UHFFFAOYSA-N	0	3	322.840	2.828	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000178725576	426682534	/nfs/dbraw/zinc/68/25/34/426682534.db2.gz	ODNQDRDGIWJARS-UHFFFAOYSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#Cc1ccc(CC(=O)N2CCN(C3CCCCC3)CC2)cc1	ZINC000178414193	426624447	/nfs/dbraw/zinc/62/44/47/426624447.db2.gz	GBVVCHZRUITEGI-UHFFFAOYSA-N	0	3	311.429	2.578	20	30		DFEDHN
C=CCN(CC=C)C(=O)CNC(C)(C)COCc1ccccc1	ZINC000281253677	426706168	/nfs/dbraw/zinc/70/61/68/426706168.db2.gz	DUOZEVUDIZHMIC-UHFFFAOYSA-N	0	3	316.445	2.772	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2cccc(N3CCCC3)c2)C1=O	ZINC000280974884	426698816	/nfs/dbraw/zinc/69/88/16/426698816.db2.gz	HZMRRLFLMCVUBO-MAUKXSAKSA-N	0	3	313.445	2.724	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000281071313	426700707	/nfs/dbraw/zinc/70/07/07/426700707.db2.gz	ZTRHHHVIZLRWGN-QGZVFWFLSA-N	0	3	324.852	2.557	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O	ZINC000281134870	426702526	/nfs/dbraw/zinc/70/25/26/426702526.db2.gz	ABCKUQIBRHBJPI-ZBFHGGJFSA-N	0	3	304.821	2.916	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc(F)c(OC)c2)CC1	ZINC000179248173	426773306	/nfs/dbraw/zinc/77/33/06/426773306.db2.gz	KBDYLYPXBRVUOZ-FNORWQNLSA-N	0	3	318.392	2.614	20	30		DFEDHN
CN(C)CC1(NC(=O)Nc2ccc(C#N)cc2Cl)CCC1	ZINC000281900254	426787553	/nfs/dbraw/zinc/78/75/53/426787553.db2.gz	IANBAZYEAJGWNL-UHFFFAOYSA-N	0	3	306.797	2.817	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc(C#N)cc1	ZINC000266394744	426725282	/nfs/dbraw/zinc/72/52/82/426725282.db2.gz	GIDLDVCEXKQDGK-JKIFEVAISA-N	0	3	314.433	2.743	20	30		DFEDHN
CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000245446291	426739913	/nfs/dbraw/zinc/73/99/13/426739913.db2.gz	LALHOVVXEXPVBI-RRFJBIMHSA-N	0	3	311.495	2.601	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)[C@@H](CCO)c1ccccc1	ZINC000266567137	426740430	/nfs/dbraw/zinc/74/04/30/426740430.db2.gz	BNPDULLVWAHGCT-IBGZPJMESA-N	0	3	310.397	2.993	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000245565910	426753902	/nfs/dbraw/zinc/75/39/02/426753902.db2.gz	PTIAUGYXPXIWBE-PBHICJAKSA-N	0	3	309.413	2.550	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2scnc2C)CC1	ZINC000188893391	426799346	/nfs/dbraw/zinc/79/93/46/426799346.db2.gz	KDJGKMMNHHHYJG-SNAWJCMRSA-N	0	3	305.447	2.621	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccccc2)[C@@H]1C	ZINC000266948860	426801920	/nfs/dbraw/zinc/80/19/20/426801920.db2.gz	SQGNQVTXQJFFHU-LZLYRXPVSA-N	0	3	313.445	2.700	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2	ZINC000246173192	426806789	/nfs/dbraw/zinc/80/67/89/426806789.db2.gz	DBGITWYGTXBUGD-CABCVRRESA-N	0	3	313.445	2.597	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000246404548	426830927	/nfs/dbraw/zinc/83/09/27/426830927.db2.gz	PPMNEHYQGKNEDG-RDTXWAMCSA-N	0	3	311.429	2.857	20	30		DFEDHN
COc1cccc(N2CC[C@@H](NCc3ccc(C#N)s3)C2)c1	ZINC000267155551	426832557	/nfs/dbraw/zinc/83/25/57/426832557.db2.gz	DJOBNQBRIJSQSO-CYBMUJFWSA-N	0	3	313.426	2.997	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCc2ccccc2C1	ZINC000246461335	426834442	/nfs/dbraw/zinc/83/44/42/426834442.db2.gz	YVVDFZOJDYOBFW-PKOBYXMFSA-N	0	3	313.445	2.530	20	30		DFEDHN
CC1(C)OCC[C@@H]1NCc1ccc(C#N)cc1Br	ZINC000295186550	426854912	/nfs/dbraw/zinc/85/49/12/426854912.db2.gz	IVUHMWYXKYZASG-ZDUSSCGKSA-N	0	3	309.207	2.978	20	30		DFEDHN
C#C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C	ZINC000282216774	426855874	/nfs/dbraw/zinc/85/58/74/426855874.db2.gz	MLEDYSHWIBOSKL-SFHVURJKSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)OC[C@H]1C)C(C)C	ZINC000246025367	426791586	/nfs/dbraw/zinc/79/15/86/426791586.db2.gz	VJUOFVOEEZQKFZ-IXDOHACOSA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCN1CC[C@H]([N@H+](CCCC)Cc2ccccc2[O-])C1=O	ZINC000282498589	426919593	/nfs/dbraw/zinc/91/95/93/426919593.db2.gz	QOUXEKCQPJEYHZ-INIZCTEOSA-N	0	3	302.418	2.781	20	30		DFEDHN
C=CCN1CC[C@H]([N@@H+](CCCC)Cc2ccccc2[O-])C1=O	ZINC000282498589	426919598	/nfs/dbraw/zinc/91/95/98/426919598.db2.gz	QOUXEKCQPJEYHZ-INIZCTEOSA-N	0	3	302.418	2.781	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(C#N)c(C#N)c2)C1	ZINC000291601335	426923601	/nfs/dbraw/zinc/92/36/01/426923601.db2.gz	YJHXNZOGPWYVFE-QGZVFWFLSA-N	0	3	314.364	2.581	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-]	ZINC000290878927	426862893	/nfs/dbraw/zinc/86/28/93/426862893.db2.gz	BQXWSERRUDWATD-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C	ZINC000247079770	426901049	/nfs/dbraw/zinc/90/10/49/426901049.db2.gz	NFUJNZOCLANWAR-IAGOWNOFSA-N	0	3	313.445	2.935	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2C[C@@H]3CCCN3C[C@H]2C)c1C	ZINC000247093166	426904013	/nfs/dbraw/zinc/90/40/13/426904013.db2.gz	IETKPVAZBXVTKR-WBVHZDCISA-N	0	3	315.461	2.642	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)c(OC)c1	ZINC000282441436	426913432	/nfs/dbraw/zinc/91/34/32/426913432.db2.gz	UNUQHAWHXHRHGE-CRAIPNDOSA-N	0	3	316.401	2.778	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@]3(O)CCCC[C@H]3C2)c1	ZINC000247886495	426965173	/nfs/dbraw/zinc/96/51/73/426965173.db2.gz	DEUHIVLNWREYMO-WMZOPIPTSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(C)cc2)CC1	ZINC000181621718	426967131	/nfs/dbraw/zinc/96/71/31/426967131.db2.gz	RXSPFZPPGOBGKR-INIZCTEOSA-N	0	3	300.446	2.940	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(C(F)(F)F)ccc1F	ZINC000328098463	426979178	/nfs/dbraw/zinc/97/91/78/426979178.db2.gz	KJEVUZBLXVLDRG-UHFFFAOYSA-N	0	3	316.298	2.529	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1coc(C2CCOCC2)n1	ZINC000328754285	426992870	/nfs/dbraw/zinc/99/28/70/426992870.db2.gz	SFLMDUXHMDKPRK-AWEZNQCLSA-N	0	3	321.421	2.748	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1	ZINC000247370288	426932645	/nfs/dbraw/zinc/93/26/45/426932645.db2.gz	PDQVWGSQQJDGHO-WMLDXEAASA-N	0	3	302.418	2.710	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2cccc(C#N)n2)CC1	ZINC000275856512	426934442	/nfs/dbraw/zinc/93/44/42/426934442.db2.gz	XESUKXFTUKSIGK-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
Cc1ccnc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1C#N	ZINC000275882003	426939858	/nfs/dbraw/zinc/93/98/58/426939858.db2.gz	YTPBUAHCFPYEEK-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)COc1ccccc1C#N	ZINC000275894329	426941269	/nfs/dbraw/zinc/94/12/69/426941269.db2.gz	SMSQQWIHTCWSEH-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268579992	427057330	/nfs/dbraw/zinc/05/73/30/427057330.db2.gz	QJOHSJZBUCLROI-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)NC2CCN(C3CC3)CC2)cc1C	ZINC000329178105	427059120	/nfs/dbraw/zinc/05/91/20/427059120.db2.gz	CNEYGUYWCMOMIM-LBPRGKRZSA-N	0	3	319.453	3.115	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)N1CCCCC1	ZINC000329188067	427060365	/nfs/dbraw/zinc/06/03/65/427060365.db2.gz	QYHUQVBEEOYOGP-CZUORRHYSA-N	0	3	304.438	2.734	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)N1CCCCC1	ZINC000329188067	427060371	/nfs/dbraw/zinc/06/03/71/427060371.db2.gz	QYHUQVBEEOYOGP-CZUORRHYSA-N	0	3	304.438	2.734	20	30		DFEDHN
C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000328806884	426997603	/nfs/dbraw/zinc/99/76/03/426997603.db2.gz	MAWQJGZUFRMQSU-XLNGHYISSA-N	0	3	318.417	2.525	20	30		DFEDHN
Cc1nscc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1	ZINC000328800215	426998337	/nfs/dbraw/zinc/99/83/37/426998337.db2.gz	YEIVTUJZSRUXIL-GFCCVEGCSA-N	0	3	324.450	2.587	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(Cl)c(C#N)n2)C[C@H](C)O1	ZINC000268363910	426999038	/nfs/dbraw/zinc/99/90/38/426999038.db2.gz	XJZGMZFDGFTWEQ-BETUJISGSA-N	0	3	322.840	2.908	20	30		DFEDHN
C=CCOc1ccc(CNCCOCC(F)F)cc1OC	ZINC000276180800	427000991	/nfs/dbraw/zinc/00/09/91/427000991.db2.gz	FGGDJQIARNDTPN-UHFFFAOYSA-N	0	3	301.333	2.631	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1	ZINC000337853850	427002514	/nfs/dbraw/zinc/00/25/14/427002514.db2.gz	KKHBFCXDXKJTFS-OAHLLOKOSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000248616529	427020439	/nfs/dbraw/zinc/02/04/39/427020439.db2.gz	JACGFKQASMLRMI-ZACQAIPSSA-N	0	3	322.493	2.937	20	30		DFEDHN
C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000291907949	427022566	/nfs/dbraw/zinc/02/25/66/427022566.db2.gz	QIECHLIJALFUMP-CQSZACIVSA-N	0	3	312.417	2.896	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000276351770	427043216	/nfs/dbraw/zinc/04/32/16/427043216.db2.gz	DJRKULVTCATZMT-AWEZNQCLSA-N	0	3	320.433	2.559	20	30		DFEDHN
O=C(NCCN1CCCCCC1)c1ccc2nsnc2c1	ZINC000329098545	427043373	/nfs/dbraw/zinc/04/33/73/427043373.db2.gz	LZQITZJIUXWJMS-UHFFFAOYSA-N	0	3	304.419	2.872	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2ccc3ccccc3n2)CC1	ZINC000268539672	427049400	/nfs/dbraw/zinc/04/94/00/427049400.db2.gz	KSBHJXOUONLKHO-KRWDZBQOSA-N	0	3	311.429	2.684	20	30		DFEDHN
CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000329142504	427052510	/nfs/dbraw/zinc/05/25/10/427052510.db2.gz	LHGRHPNATHERQQ-RRFJBIMHSA-N	0	3	309.454	2.607	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCO1	ZINC000182370919	427066168	/nfs/dbraw/zinc/06/61/68/427066168.db2.gz	QQOXBPHAPPSZKZ-ZIAGYGMSSA-N	0	3	321.446	2.722	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCO1	ZINC000182370859	427066831	/nfs/dbraw/zinc/06/68/31/427066831.db2.gz	QQOXBPHAPPSZKZ-KBPBESRZSA-N	0	3	321.446	2.722	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CCc3ccccc3F)C2)nc1	ZINC000292046191	427068788	/nfs/dbraw/zinc/06/87/88/427068788.db2.gz	AVVMWCHQSMVFGY-INIZCTEOSA-N	0	3	311.360	2.788	20	30		DFEDHN
Cc1nn(CC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)c1Cl	ZINC000329264574	427076010	/nfs/dbraw/zinc/07/60/10/427076010.db2.gz	BYBXSWBJTOQPFH-JTQLQIEISA-N	0	3	310.829	2.760	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1	ZINC000276492744	427082720	/nfs/dbraw/zinc/08/27/20/427082720.db2.gz	UYSCDAGKNIDMOB-CYBMUJFWSA-N	0	3	308.397	2.689	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2nc3cc(C)ccc3n2CC)CC1	ZINC000182502978	427086378	/nfs/dbraw/zinc/08/63/78/427086378.db2.gz	JCNYSMWJUJWDGJ-UHFFFAOYSA-N	0	3	324.428	2.648	20	30		DFEDHN
CN(C)c1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292091873	427086605	/nfs/dbraw/zinc/08/66/05/427086605.db2.gz	FOEIHEPFCKPFGJ-SFHVURJKSA-N	0	3	322.412	2.673	20	30		DFEDHN
CC(C)COC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000268671996	427088418	/nfs/dbraw/zinc/08/84/18/427088418.db2.gz	KLXFFHSVTUYFQD-GOSISDBHSA-N	0	3	302.418	2.729	20	30		DFEDHN
CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1nc(C)cs1	ZINC000329490599	427129152	/nfs/dbraw/zinc/12/91/52/427129152.db2.gz	YUFFTQHQRFUVSU-YPMHNXCESA-N	0	3	308.451	2.643	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000249265341	427101885	/nfs/dbraw/zinc/10/18/85/427101885.db2.gz	IOGFRFCLFBDZLU-AEFFLSMTSA-N	0	3	313.445	2.663	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1CC	ZINC000329373853	427102204	/nfs/dbraw/zinc/10/22/04/427102204.db2.gz	NGQYHTZRNBAGGA-HZPDHXFCSA-N	0	3	323.481	2.999	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000268776772	427111580	/nfs/dbraw/zinc/11/15/80/427111580.db2.gz	AUANBUNALJPGLG-HNNXBMFYSA-N	0	3	302.418	2.512	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2cccc3c2OCO3)CC1	ZINC000329430993	427115739	/nfs/dbraw/zinc/11/57/39/427115739.db2.gz	HNTPIAQRQKZROK-UHFFFAOYSA-N	0	3	317.389	2.521	20	30		DFEDHN
C=CCOCC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000338052608	427116445	/nfs/dbraw/zinc/11/64/45/427116445.db2.gz	JKQFODGRVJZLRL-KRWDZBQOSA-N	0	3	316.445	2.606	20	30		DFEDHN
N#CC(C(=O)c1ccnc(C2CC2)c1)c1nnc2n1CCCCC2	ZINC000329442086	427116768	/nfs/dbraw/zinc/11/67/68/427116768.db2.gz	KDCGXGCFQXTWCD-AWEZNQCLSA-N	0	3	321.384	2.767	20	30		DFEDHN
O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccc(C(F)(F)F)cc1	ZINC000249577397	427129846	/nfs/dbraw/zinc/12/98/46/427129846.db2.gz	MUKPFYQQADNTQJ-XSIBGMEISA-N	0	3	321.342	2.758	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000329478978	427126493	/nfs/dbraw/zinc/12/64/93/427126493.db2.gz	CNZXPWODNCLXRR-UONOGXRCSA-N	0	3	319.453	2.547	20	30		DFEDHN
N#Cc1ccc(N2CCN(CCCc3cccc(F)c3)CC2)nc1	ZINC000182684976	427126892	/nfs/dbraw/zinc/12/68/92/427126892.db2.gz	DNMNDBPYVSNHPP-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
O=C(Nc1cnc2c(c1)CCCC2)N[C@H]1CCc2[nH]cnc2C1	ZINC000329498548	427127117	/nfs/dbraw/zinc/12/71/17/427127117.db2.gz	GWELJDLAEXXNKF-LBPRGKRZSA-N	0	3	311.389	2.567	20	30		DFEDHN
O=C(Nc1cnc2c(c1)CCCC2)N[C@H]1CCc2nc[nH]c2C1	ZINC000329498548	427127123	/nfs/dbraw/zinc/12/71/23/427127123.db2.gz	GWELJDLAEXXNKF-LBPRGKRZSA-N	0	3	311.389	2.567	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CC[C@@H](O)c3ccccc3)C2)nc1	ZINC000292218138	427134043	/nfs/dbraw/zinc/13/40/43/427134043.db2.gz	OXGXPOWHIRGSRQ-ZWKOTPCHSA-N	0	3	323.396	2.530	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC1CC(F)(F)C1)C(C)C	ZINC000277073300	427134654	/nfs/dbraw/zinc/13/46/54/427134654.db2.gz	SPIVXOUNWBHRLD-CQSZACIVSA-N	0	3	315.408	2.782	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CC[C@H](O)c3ccccc3)C2)nc1	ZINC000292218132	427134780	/nfs/dbraw/zinc/13/47/80/427134780.db2.gz	OXGXPOWHIRGSRQ-MSOLQXFVSA-N	0	3	323.396	2.530	20	30		DFEDHN
Cn1nc2c(c1CNC(=O)C1CCN(C3CC3)CC1)CCCC2	ZINC000329582516	427145963	/nfs/dbraw/zinc/14/59/63/427145963.db2.gz	ANJMGXUYESTEEC-UHFFFAOYSA-N	0	3	316.449	2.630	20	30		DFEDHN
CC#CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1	ZINC000277291012	427154330	/nfs/dbraw/zinc/15/43/30/427154330.db2.gz	AHCFVPOZKWSRSF-UHFFFAOYSA-N	0	3	312.335	2.619	20	30		DFEDHN
C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1	ZINC000292274751	427155768	/nfs/dbraw/zinc/15/57/68/427155768.db2.gz	BHNACJRRUFQGCL-KBXCAEBGSA-N	0	3	308.381	2.875	20	30		DFEDHN
COCc1nc(C)c(C(=O)N[C@H](C)C2=CCN(C)CC2)s1	ZINC000329515508	427130265	/nfs/dbraw/zinc/13/02/65/427130265.db2.gz	OOJJOVNIGVNVGS-SNVBAGLBSA-N	0	3	309.435	2.553	20	30		DFEDHN
C=CCNC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1	ZINC000190698108	427163962	/nfs/dbraw/zinc/16/39/62/427163962.db2.gz	UBRSBVPCCDPTEH-UHFFFAOYSA-N	0	3	314.351	2.918	20	30		DFEDHN
C=CCC[C@@H](NC(=O)NCCN(C)CCOC)c1ccccc1	ZINC000269332813	427172065	/nfs/dbraw/zinc/17/20/65/427172065.db2.gz	CMDCVGFOZZUNEL-QGZVFWFLSA-N	0	3	319.449	2.571	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000253382851	427203050	/nfs/dbraw/zinc/20/30/50/427203050.db2.gz	JLUNTNZRJHPLQK-LZLYRXPVSA-N	0	3	316.445	2.919	20	30		DFEDHN
C[C@H](C(=O)NCC#Cc1cccc(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000338239302	427207597	/nfs/dbraw/zinc/20/75/97/427207597.db2.gz	FGGXHTKYXGFNHF-RBSFLKMASA-N	0	3	302.393	2.555	20	30		DFEDHN
C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(C#N)cc1	ZINC000285028258	427207930	/nfs/dbraw/zinc/20/79/30/427207930.db2.gz	HLCPQKDHFPKXKN-ZDUSSCGKSA-N	0	3	306.431	2.566	20	30		DFEDHN
Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1C	ZINC000330375083	427225831	/nfs/dbraw/zinc/22/58/31/427225831.db2.gz	NNMUFTWVRIVBAU-MRXNPFEDSA-N	0	3	304.434	2.701	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](O)CNCc2cc(C#N)n(C)c2)c1	ZINC000191104347	427256081	/nfs/dbraw/zinc/25/60/81/427256081.db2.gz	VWBIIRVFPLBDKK-SFHVURJKSA-N	0	3	313.401	2.507	20	30		DFEDHN
CCn1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000183372146	427256749	/nfs/dbraw/zinc/25/67/49/427256749.db2.gz	SZILIXNONKLXDP-UHFFFAOYSA-N	0	3	309.417	2.851	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(OCC(F)F)nc2)CCN1C	ZINC000330550635	427262104	/nfs/dbraw/zinc/26/21/04/427262104.db2.gz	XBPKETBSMAICME-ZYHUDNBSSA-N	0	3	313.348	2.513	20	30		DFEDHN
C[NH+](C)[C@]1(CNC(=O)c2cc([O-])ccc2Cl)CCSC1	ZINC000330556435	427265121	/nfs/dbraw/zinc/26/51/21/427265121.db2.gz	ZSCFFJXMUWZESX-AWEZNQCLSA-N	0	3	314.838	2.788	20	30		DFEDHN
C=CCC1(C(=O)NCc2ccc(OCCN(C)C)cc2)CCC1	ZINC000191139530	427265852	/nfs/dbraw/zinc/26/58/52/427265852.db2.gz	GVMPROOHQJTFIN-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
Cn1cc(CN(CCc2ccccc2)[C@H]2CCOC2)cc1C#N	ZINC000191439819	427352134	/nfs/dbraw/zinc/35/21/34/427352134.db2.gz	RXQMGZQRDGMDOF-SFHVURJKSA-N	0	3	309.413	2.730	20	30		DFEDHN
Cc1ccc(F)c(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1	ZINC000330815734	427308553	/nfs/dbraw/zinc/30/85/53/427308553.db2.gz	OOORVKCMPGFWHX-AWEZNQCLSA-N	0	3	308.397	2.532	20	30		DFEDHN
COC1(CCN2CCN(c3cccc(F)c3C#N)CC2)CCC1	ZINC000293387292	427310189	/nfs/dbraw/zinc/31/01/89/427310189.db2.gz	GRGHXGHHNOOTHG-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@@H](CN(C)C)c1ccccc1)OCC	ZINC000270035810	427318171	/nfs/dbraw/zinc/31/81/71/427318171.db2.gz	FOWPQJJWPORPOY-DLBZAZTESA-N	0	3	304.434	2.777	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1	ZINC000330925037	427318350	/nfs/dbraw/zinc/31/83/50/427318350.db2.gz	GKDBITDFQICGSA-BLLLJJGKSA-N	0	3	303.406	2.678	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(NCCCN2CCCO[C@@H](C)C2)c1	ZINC000277793175	427321232	/nfs/dbraw/zinc/32/12/32/427321232.db2.gz	XHYCVJDIKFUSSG-AWEZNQCLSA-N	0	3	315.417	2.674	20	30		DFEDHN
CCc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000330965936	427321423	/nfs/dbraw/zinc/32/14/23/427321423.db2.gz	AUSVFLOLGRMPIF-BXUZGUMPSA-N	0	3	305.378	2.945	20	30		DFEDHN
CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000331003616	427325436	/nfs/dbraw/zinc/32/54/36/427325436.db2.gz	GPLHQHNZCKISRH-IUODEOHRSA-N	0	3	303.406	2.741	20	30		DFEDHN
CC(=O)Nc1ccc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000331003617	427326434	/nfs/dbraw/zinc/32/64/34/427326434.db2.gz	GPLHQHNZCKISRH-SWLSCSKDSA-N	0	3	303.406	2.741	20	30		DFEDHN
Cn1cc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1C#N	ZINC000191360420	427326957	/nfs/dbraw/zinc/32/69/57/427326957.db2.gz	KCLKNTRLQYOMGM-LJQANCHMSA-N	0	3	309.413	2.769	20	30		DFEDHN
COc1cc(F)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC	ZINC000331018451	427328490	/nfs/dbraw/zinc/32/84/90/427328490.db2.gz	ZKVSIQHUDBRGMP-GHMZBOCLSA-N	0	3	310.369	2.630	20	30		DFEDHN
Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000331048008	427333006	/nfs/dbraw/zinc/33/30/06/427333006.db2.gz	JKEJTFXAPYNRPU-MWLCHTKSSA-N	0	3	318.343	2.541	20	30		DFEDHN
CSc1c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cnn1C	ZINC000331078517	427337824	/nfs/dbraw/zinc/33/78/24/427337824.db2.gz	KGGWQAACXWREQL-VXGBXAGGSA-N	0	3	310.467	2.567	20	30		DFEDHN
COc1cc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc(OC)c1	ZINC000331091417	427343247	/nfs/dbraw/zinc/34/32/47/427343247.db2.gz	WMIMOQNWVLWIOP-BLLLJJGKSA-N	0	3	321.421	2.521	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1	ZINC000270417836	427350175	/nfs/dbraw/zinc/35/01/75/427350175.db2.gz	MMWFJDCQELQSNH-MSOLQXFVSA-N	0	3	313.445	2.877	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1	ZINC000270417839	427350644	/nfs/dbraw/zinc/35/06/44/427350644.db2.gz	MMWFJDCQELQSNH-ROUUACIJSA-N	0	3	313.445	2.877	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1	ZINC000271013599	427372170	/nfs/dbraw/zinc/37/21/70/427372170.db2.gz	SLOQKSZILQWPEV-GJZGRUSLSA-N	0	3	315.335	2.880	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C[NH+](C)C	ZINC000331224177	427375276	/nfs/dbraw/zinc/37/52/76/427375276.db2.gz	AUWBUGURGSADGS-NSHDSACASA-N	0	3	306.406	2.608	20	30		DFEDHN
COc1cc(C)cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1O	ZINC000331246853	427379277	/nfs/dbraw/zinc/37/92/77/427379277.db2.gz	VIFILPVQBBZZSB-GFCCVEGCSA-N	0	3	304.390	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1	ZINC000271033576	427379896	/nfs/dbraw/zinc/37/98/96/427379896.db2.gz	DJIQHGCORFFAKI-UHFFFAOYSA-N	0	3	317.408	2.544	20	30		DFEDHN
CCc1ccnc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1	ZINC000331249973	427380486	/nfs/dbraw/zinc/38/04/86/427380486.db2.gz	WDNJIZIDIJHICP-INIZCTEOSA-N	0	3	318.465	2.768	20	30		DFEDHN
Cn1cc(CNC[C@](C)(O)c2cccc(Cl)c2)cc1C#N	ZINC000191603318	427387207	/nfs/dbraw/zinc/38/72/07/427387207.db2.gz	AXXRJHQIQAGFMZ-INIZCTEOSA-N	0	3	303.793	2.547	20	30		DFEDHN
CCc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[n-]1	ZINC000285963768	427387861	/nfs/dbraw/zinc/38/78/61/427387861.db2.gz	FPHZUFZJSDXCTP-CYBMUJFWSA-N	0	3	324.432	2.558	20	30		DFEDHN
CNc1snc(C)c1C(=O)NCCN1CCCC(C)(C)C1	ZINC000331301657	427394952	/nfs/dbraw/zinc/39/49/52/427394952.db2.gz	RNFUEJNIBMMTMH-UHFFFAOYSA-N	0	3	310.467	2.920	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCCC1(C)C	ZINC000331297996	427395905	/nfs/dbraw/zinc/39/59/05/427395905.db2.gz	OYILBJTZSMEDTG-CABCVRRESA-N	0	3	321.465	2.827	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@]1(CO)CC(C)C	ZINC000191652385	427398871	/nfs/dbraw/zinc/39/88/71/427398871.db2.gz	NUMWVOUEBGVKJZ-GOSISDBHSA-N	0	3	302.418	2.940	20	30		DFEDHN
COc1cccc(C)c1NC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000331321474	427400167	/nfs/dbraw/zinc/40/01/67/427400167.db2.gz	KCKLSXRUJIGCGM-CYBMUJFWSA-N	0	3	303.406	2.980	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1c1cccc(C)c1C	ZINC000331342314	427402415	/nfs/dbraw/zinc/40/24/15/427402415.db2.gz	YORAFFPJLLZOEL-GOEBONIOSA-N	0	3	317.433	2.879	20	30		DFEDHN
C=CCc1cc(CN(CCCOC)CCOC)cc(OC)c1O	ZINC000271140277	427417230	/nfs/dbraw/zinc/41/72/30/427417230.db2.gz	WKRQKYFKKCVVQP-UHFFFAOYSA-N	0	3	323.433	2.614	20	30		DFEDHN
CCc1nc(C)c(NC(=O)N[C@@H](C)C2=CCN(C)CC2)s1	ZINC000331182828	427363747	/nfs/dbraw/zinc/36/37/47/427363747.db2.gz	HUOONXPVXGMJPL-JTQLQIEISA-N	0	3	308.451	2.990	20	30		DFEDHN
C=C[C@H](CC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1)c1ccccc1	ZINC000270990047	427366338	/nfs/dbraw/zinc/36/63/38/427366338.db2.gz	DTPNQCIKHFWYHG-OIISXLGYSA-N	0	3	318.486	2.850	20	30		DFEDHN
Cn1cc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cc1C#N	ZINC000191509482	427368764	/nfs/dbraw/zinc/36/87/64/427368764.db2.gz	BFWKPONEMUKSFR-OAHLLOKOSA-N	0	3	307.756	2.512	20	30		DFEDHN
Cc1c(C#N)c(N2CC[C@@H](N3CC=CC3)C2)nc2ccccc12	ZINC000297232193	427368799	/nfs/dbraw/zinc/36/87/99/427368799.db2.gz	UDHSORUZLCCDBZ-OAHLLOKOSA-N	0	3	304.397	2.865	20	30		DFEDHN
Cn1cc(CNCCc2csc(C(C)(C)C)n2)cc1C#N	ZINC000191524038	427369247	/nfs/dbraw/zinc/36/92/47/427369247.db2.gz	HCEFJRGEHCSXNA-UHFFFAOYSA-N	0	3	302.447	2.983	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@@H]2CCC[C@H]2CCO)c1	ZINC000286296439	427483520	/nfs/dbraw/zinc/48/35/20/427483520.db2.gz	VIHITWFRVQECDH-SWLSCSKDSA-N	0	3	323.234	2.961	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000331508353	427426747	/nfs/dbraw/zinc/42/67/47/427426747.db2.gz	IDEDSLASZLYFEG-CZUORRHYSA-N	0	3	307.401	2.871	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000184270503	427429053	/nfs/dbraw/zinc/42/90/53/427429053.db2.gz	PMWVCDSEEWSEQC-ZDUSSCGKSA-N	0	3	302.330	2.881	20	30		DFEDHN
CC#CCCCC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000184287392	427432761	/nfs/dbraw/zinc/43/27/61/427432761.db2.gz	KFRHSDDXUXKREX-UHFFFAOYSA-N	0	3	313.445	2.961	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@@H](C)CC1	ZINC000192175653	427495521	/nfs/dbraw/zinc/49/55/21/427495521.db2.gz	VSEPBFAWXCMENL-RDJZCZTQSA-N	0	3	321.486	2.982	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1oc(C)c(C)c1C#N	ZINC000286350350	427498842	/nfs/dbraw/zinc/49/88/42/427498842.db2.gz	XVLUKAVJKZMTMT-KBPBESRZSA-N	0	3	321.446	2.970	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000278923836	427501734	/nfs/dbraw/zinc/50/17/34/427501734.db2.gz	KSUOEQASGTXFSQ-KRWDZBQOSA-N	0	3	306.413	2.585	20	30		DFEDHN
COCCCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1	ZINC000263743415	427554208	/nfs/dbraw/zinc/55/42/08/427554208.db2.gz	FIANMBLCXQNXQI-UHFFFAOYSA-N	0	3	309.360	2.749	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1	ZINC000192813810	427616171	/nfs/dbraw/zinc/61/61/71/427616171.db2.gz	LNFQVTHSOAVIJC-YOEHRIQHSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)CC3CCCC3)CC2)C1	ZINC000333031969	427627730	/nfs/dbraw/zinc/62/77/30/427627730.db2.gz	PNVFWODWYUEFNX-RDJZCZTQSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1	ZINC000339027197	427634772	/nfs/dbraw/zinc/63/47/72/427634772.db2.gz	BHKMMFXFCXSMHS-MAUKXSAKSA-N	0	3	323.440	2.980	20	30		DFEDHN
COc1cccc(N2CC[C@@H](NCc3cccc(C#N)c3)C2)c1	ZINC000264027581	427637251	/nfs/dbraw/zinc/63/72/51/427637251.db2.gz	ZABSFIVOUWWWST-QGZVFWFLSA-N	0	3	307.397	2.935	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc(C#N)c1	ZINC000193010560	427650401	/nfs/dbraw/zinc/65/04/01/427650401.db2.gz	RLGAEYCDVDZWJW-YOEHRIQHSA-N	0	3	307.401	2.668	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccccc1C#N	ZINC000272151745	427651894	/nfs/dbraw/zinc/65/18/94/427651894.db2.gz	GGFKAWQMAHDWGG-XVJNWHFHSA-N	0	3	311.429	2.760	20	30		DFEDHN
C[C@@H](NCc1ccc(Br)cc1C#N)[C@H]1CCOC1	ZINC000287613246	427652030	/nfs/dbraw/zinc/65/20/30/427652030.db2.gz	DVQQEONYHOTUAP-PWSUYJOCSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCOCCC#N	ZINC000339060124	427654740	/nfs/dbraw/zinc/65/47/40/427654740.db2.gz	NZKJVDWGEFAVBQ-IRXDYDNUSA-N	0	3	301.434	2.511	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000264095921	427655077	/nfs/dbraw/zinc/65/50/77/427655077.db2.gz	GZUXGVBFHYPIBJ-KRWDZBQOSA-N	0	3	324.380	2.861	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NC(=O)c2cccc(C#N)c2)cc1	ZINC000342656568	272037356	/nfs/dbraw/zinc/03/73/56/272037356.db2.gz	BWRVHAOUQYECTL-SFHVURJKSA-N	0	3	323.396	2.600	20	30		DFEDHN
CCCN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(C#N)c1	ZINC000343278289	272111103	/nfs/dbraw/zinc/11/11/03/272111103.db2.gz	WUQRFZXLWZAXLZ-UHFFFAOYSA-N	0	3	302.378	2.779	20	30		DFEDHN
N#Cc1ccc([C@H](NCC2CC(c3ccccc3)C2)C(N)=O)cc1	ZINC000339094757	427673008	/nfs/dbraw/zinc/67/30/08/427673008.db2.gz	WEVCFTOVCKHEHJ-PPSBMQLTSA-N	0	3	319.408	2.868	20	30		DFEDHN
CCC1(O)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272214247	427673253	/nfs/dbraw/zinc/67/32/53/427673253.db2.gz	AWHOBMMCIHXNLP-UHFFFAOYSA-N	0	3	324.428	2.696	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000343619119	272185262	/nfs/dbraw/zinc/18/52/62/272185262.db2.gz	FURSSYBBUCVZHL-CYBMUJFWSA-N	0	3	305.809	2.816	20	30		DFEDHN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@@H]1CC[C@@H](C#N)C1	ZINC000339111581	427679025	/nfs/dbraw/zinc/67/90/25/427679025.db2.gz	UOBFHCFJUNARGJ-BARDWOONSA-N	0	3	322.453	2.680	20	30		DFEDHN
CCc1nn(C[C@H]2CCCCN2C(C)C)c(=O)c(C#N)c1CC	ZINC000339113820	427680396	/nfs/dbraw/zinc/68/03/96/427680396.db2.gz	IAYPLWFPKCVXGE-CQSZACIVSA-N	0	3	316.449	2.503	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2cccc(C#N)c2F)CC1	ZINC000344085573	272260169	/nfs/dbraw/zinc/26/01/69/272260169.db2.gz	HMAQWKLZESLLCB-UHFFFAOYSA-N	0	3	303.381	2.576	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCOCC2	ZINC000185660196	427686258	/nfs/dbraw/zinc/68/62/58/427686258.db2.gz	FFHGQNLPGWPEKR-CABCVRRESA-N	0	3	306.431	2.684	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H](OCc2ccccc2F)C1	ZINC000339139747	427699907	/nfs/dbraw/zinc/69/99/07/427699907.db2.gz	ITMBXEIQXGHZBP-MRXNPFEDSA-N	0	3	306.381	2.737	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000339189548	427723638	/nfs/dbraw/zinc/72/36/38/427723638.db2.gz	KIOVFPWDWGETBO-BIGNPOOSSA-N	0	3	309.772	2.500	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)[C@H]2C1	ZINC000272319635	427707265	/nfs/dbraw/zinc/70/72/65/427707265.db2.gz	UCYYBKNSZLZXDD-NHYWBVRUSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000272328423	427709855	/nfs/dbraw/zinc/70/98/55/427709855.db2.gz	VSMZAZCFXZGNAG-QGZVFWFLSA-N	0	3	316.357	2.952	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1CCCOc1cccc(C#N)c1	ZINC000336867887	427766614	/nfs/dbraw/zinc/76/66/14/427766614.db2.gz	PWDCNJDNRMGSQP-SJLPKXTDSA-N	0	3	313.445	2.886	20	30		DFEDHN
Cc1cnn(CCN2CCC(Oc3cccc(C#N)c3)CC2)c1	ZINC000336876538	427771087	/nfs/dbraw/zinc/77/10/87/427771087.db2.gz	SYUZDXJWZIFDIF-UHFFFAOYSA-N	0	3	310.401	2.607	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2cc(Cl)ccc2C#N)CC1	ZINC000301208243	427781260	/nfs/dbraw/zinc/78/12/60/427781260.db2.gz	RWTMYEONJHKCME-CYBMUJFWSA-N	0	3	306.841	2.650	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1ccccc1C	ZINC000339495729	427783829	/nfs/dbraw/zinc/78/38/29/427783829.db2.gz	NNJMLZNTSTXNTL-AWEZNQCLSA-N	0	3	301.434	2.828	20	30		DFEDHN
CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000186030430	427742897	/nfs/dbraw/zinc/74/28/97/427742897.db2.gz	CFWTWGCEKNHRQE-SFHVURJKSA-N	0	3	322.412	2.623	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H](C)N1C	ZINC000339617814	427802567	/nfs/dbraw/zinc/80/25/67/427802567.db2.gz	YNRDFFLSEAVWCO-TXEJJXNPSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCN1CCC[C@@H]1CN(Cc1ccncc1)c1ncccc1C#N	ZINC000301542214	427804622	/nfs/dbraw/zinc/80/46/22/427804622.db2.gz	KDJYIBCMDJWPTM-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)nc1	ZINC000301543913	427804923	/nfs/dbraw/zinc/80/49/23/427804923.db2.gz	WEOKQCRUCBNSKJ-RDTXWAMCSA-N	0	3	307.401	2.671	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CC[C@@H](CC4CC4)C3)C2=O)cc1	ZINC000339673554	427810468	/nfs/dbraw/zinc/81/04/68/427810468.db2.gz	POIBIRKVUDOEAY-WMZOPIPTSA-N	0	3	309.413	2.786	20	30		DFEDHN
CCOC(=O)CN(CCCC1(C#N)CCOCC1)C1CCCC1	ZINC000337195629	427813201	/nfs/dbraw/zinc/81/32/01/427813201.db2.gz	WBOFPBAWPVGOGW-UHFFFAOYSA-N	0	3	322.449	2.895	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCCC[C@@H]1Cc1ccccc1	ZINC000339724691	427818494	/nfs/dbraw/zinc/81/84/94/427818494.db2.gz	DQDNQKADZSYLQP-GOSISDBHSA-N	0	3	313.445	2.846	20	30		DFEDHN
CN(C)C(=O)[C@H](NCCc1cccc(C#N)c1)c1ccccc1	ZINC000355670882	427842797	/nfs/dbraw/zinc/84/27/97/427842797.db2.gz	PPKGBGMKUBNLIX-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OC)C1(CC)CC	ZINC000359422522	427846823	/nfs/dbraw/zinc/84/68/23/427846823.db2.gz	LKFPGUOWJOTIOB-JYJNAYRXSA-N	0	3	310.482	2.983	20	30		DFEDHN
CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1ccccc1	ZINC000302711968	427856369	/nfs/dbraw/zinc/85/63/69/427856369.db2.gz	IHJPWBBDTCKAAR-OAHLLOKOSA-N	0	3	311.345	2.576	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC(C)(C#N)CC2)c1	ZINC000355726056	427863853	/nfs/dbraw/zinc/86/38/53/427863853.db2.gz	IGIPARRAJHDIIL-UHFFFAOYSA-N	0	3	300.406	2.906	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(C)(C#N)CC1	ZINC000355768447	427882438	/nfs/dbraw/zinc/88/24/38/427882438.db2.gz	OVBKVMOOSDOATN-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@@H]1C[C@@]1(NCCC(=O)N(C)CCC#N)c1cccc(C)c1	ZINC000337419272	427896497	/nfs/dbraw/zinc/89/64/97/427896497.db2.gz	QFJZRUKAMUFESK-APWZRJJASA-N	0	3	313.445	2.972	20	30		DFEDHN
N#Cc1cccc(OCCN[C@@H](CO)c2ccc(Cl)cc2)c1	ZINC000359539753	427900718	/nfs/dbraw/zinc/90/07/18/427900718.db2.gz	BWSIYRFSBLSLEG-KRWDZBQOSA-N	0	3	316.788	2.914	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1OC(F)F	ZINC000337430506	427902136	/nfs/dbraw/zinc/90/21/36/427902136.db2.gz	UVWGVWSIOZJTIK-MELADBBJSA-N	0	3	318.408	2.940	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000350729559	427965938	/nfs/dbraw/zinc/96/59/38/427965938.db2.gz	LIHJQXFOUBIHDX-UKRRQHHQSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000350729560	427966682	/nfs/dbraw/zinc/96/66/82/427966682.db2.gz	LIHJQXFOUBIHDX-ZFWWWQNUSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000350728308	427966871	/nfs/dbraw/zinc/96/68/71/427966871.db2.gz	BJCBPGHRJYFBDD-GJZGRUSLSA-N	0	3	319.497	2.972	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413194099	427985073	/nfs/dbraw/zinc/98/50/73/427985073.db2.gz	PGJPBBWXHJCIJR-XHDPSFHLSA-N	0	3	300.362	2.670	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)NCCCCC#N)[C@@H]1c1cccs1	ZINC000369538678	427991174	/nfs/dbraw/zinc/99/11/74/427991174.db2.gz	DOXGRRKTYUMTFI-DZGCQCFKSA-N	0	3	320.462	2.734	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000341115082	427994281	/nfs/dbraw/zinc/99/42/81/427994281.db2.gz	DBQKCZVUWQKAAU-GDBMZVCRSA-N	0	3	317.433	2.533	20	30		DFEDHN
CCc1ccc([C@H](CO)NCCOc2ccc(C#N)cc2)cc1	ZINC000359625003	427942190	/nfs/dbraw/zinc/94/21/90/427942190.db2.gz	KEYVEBLHBPWCDD-IBGZPJMESA-N	0	3	310.397	2.823	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000350598685	427953793	/nfs/dbraw/zinc/95/37/93/427953793.db2.gz	NNFCMQMQWKDXLV-HNNXBMFYSA-N	0	3	317.481	2.726	20	30		DFEDHN
Cc1c([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cnn1C	ZINC000341286918	428033606	/nfs/dbraw/zinc/03/36/06/428033606.db2.gz	YINPTYZYMVWNOO-XJKSGUPXSA-N	0	3	310.401	2.678	20	30		DFEDHN
Cc1c([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cnn1C	ZINC000341286917	428033864	/nfs/dbraw/zinc/03/38/64/428033864.db2.gz	YINPTYZYMVWNOO-CZUORRHYSA-N	0	3	310.401	2.678	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000346161672	428045746	/nfs/dbraw/zinc/04/57/46/428045746.db2.gz	BUKCDYJSDBOLJV-SMDDNHRTSA-N	0	3	313.380	2.517	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000369758045	428055285	/nfs/dbraw/zinc/05/52/85/428055285.db2.gz	SFBMNUVLZMWRQZ-QZTJIDSGSA-N	0	3	302.462	2.807	20	30		DFEDHN
CSC1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000356057811	428002447	/nfs/dbraw/zinc/00/24/47/428002447.db2.gz	FKCPHHRUGLZXFF-UHFFFAOYSA-N	0	3	315.486	2.962	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000346062598	428006421	/nfs/dbraw/zinc/00/64/21/428006421.db2.gz	FUBHRVUBBIFGGR-YOEHRIQHSA-N	0	3	319.424	2.705	20	30		DFEDHN
C[C@@H](N[C@H]1CCNC1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359762297	428008711	/nfs/dbraw/zinc/00/87/11/428008711.db2.gz	GEWRGKJLJYNIEA-ACJLOTCBSA-N	0	3	305.381	2.764	20	30		DFEDHN
CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(C)C)N(C)C	ZINC000413278891	428008823	/nfs/dbraw/zinc/00/88/23/428008823.db2.gz	ZWNZGEHAMNMNCC-QGZVFWFLSA-N	0	3	301.434	2.883	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000359762048	428009337	/nfs/dbraw/zinc/00/93/37/428009337.db2.gz	GFYRSIQMSRPMMD-INIZCTEOSA-N	0	3	308.385	2.687	20	30		DFEDHN
COC(=O)[C@@H](C)CN(C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000356083737	428013983	/nfs/dbraw/zinc/01/39/83/428013983.db2.gz	JWRSOXYQDKWWCI-JTQLQIEISA-N	0	3	314.307	2.818	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000369815334	428068680	/nfs/dbraw/zinc/06/86/80/428068680.db2.gz	YPBBIECKTYDRAM-SQWLQELKSA-N	0	3	319.474	2.842	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)C)CC1	ZINC000341443918	428068683	/nfs/dbraw/zinc/06/86/83/428068683.db2.gz	ZCCSHRLWQGLSLB-UONOGXRCSA-N	0	3	309.454	2.535	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369824003	428071896	/nfs/dbraw/zinc/07/18/96/428071896.db2.gz	XNPPNMYMPXQUQF-IRXDYDNUSA-N	0	3	301.434	2.822	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000346235926	428085428	/nfs/dbraw/zinc/08/54/28/428085428.db2.gz	YILOGHRTACQJRS-AWEZNQCLSA-N	0	3	322.412	2.982	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000369907487	428085559	/nfs/dbraw/zinc/08/55/59/428085559.db2.gz	YXABWUFDWBAAHC-FUHWJXTLSA-N	0	3	313.445	2.704	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000369907489	428086393	/nfs/dbraw/zinc/08/63/93/428086393.db2.gz	YXABWUFDWBAAHC-WMZOPIPTSA-N	0	3	313.445	2.704	20	30		DFEDHN
COc1ccccc1N1CCC[C@H](NCc2cc(C#N)n(C)c2)C1	ZINC000377269852	428097600	/nfs/dbraw/zinc/09/76/00/428097600.db2.gz	ZXKXLJSECSBKHO-INIZCTEOSA-N	0	3	324.428	2.664	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCC[C@@H](C)C1	ZINC000360006795	428113146	/nfs/dbraw/zinc/11/31/46/428113146.db2.gz	NMEHRJZQEMESHP-PMPSAXMXSA-N	0	3	313.445	2.898	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCc3c[nH]nc3C2)c1Cl	ZINC000377388818	428118925	/nfs/dbraw/zinc/11/89/25/428118925.db2.gz	FPUJMLPDXKKOJY-NSHDSACASA-N	0	3	304.756	2.721	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nnc(C2CC2)s1)C(C)C	ZINC000351969405	428122801	/nfs/dbraw/zinc/12/28/01/428122801.db2.gz	QWTQMEXGUCHARL-AWEZNQCLSA-N	0	3	306.479	3.526	20	30		DFEDHN
C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000352083568	428125266	/nfs/dbraw/zinc/12/52/66/428125266.db2.gz	ITEWMYLUMUVNRC-SWLSCSKDSA-N	0	3	317.339	2.744	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@@H]2CCCc3ccccc32)C(N)=O)cc1	ZINC000360059812	428138634	/nfs/dbraw/zinc/13/86/34/428138634.db2.gz	JLXJWGWVXLNIKZ-PKOBYXMFSA-N	0	3	319.408	2.794	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N[C@@H](C)c3cccc(C#N)c3)C2)nn1	ZINC000360063653	428139722	/nfs/dbraw/zinc/13/97/22/428139722.db2.gz	ZWLICVYSLYYXKR-MAUKXSAKSA-N	0	3	321.428	2.976	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCN2CCc2ccccc2)CCC1	ZINC000370220954	428160158	/nfs/dbraw/zinc/16/01/58/428160158.db2.gz	RZWAPLAVBXFULX-QGZVFWFLSA-N	0	3	311.429	2.504	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1	ZINC000346407026	428160781	/nfs/dbraw/zinc/16/07/81/428160781.db2.gz	GUKZAPCHNMXVHK-CIRFHOKZSA-N	0	3	311.429	2.625	20	30		DFEDHN
Cn1ccnc1[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000341710006	428165075	/nfs/dbraw/zinc/16/50/75/428165075.db2.gz	VPCHQAFPQSZMEP-IRXDYDNUSA-N	0	3	322.412	2.760	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1	ZINC000370426855	428207740	/nfs/dbraw/zinc/20/77/40/428207740.db2.gz	ZJRABJUAHTZUGW-SFHVURJKSA-N	0	3	323.525	2.974	20	30		DFEDHN
COC(=O)COc1ccccc1[C@@H](C)NCC(C)(C)CC#N	ZINC000414160376	428222518	/nfs/dbraw/zinc/22/25/18/428222518.db2.gz	CSRNTINWVPPWIU-CYBMUJFWSA-N	0	3	304.390	2.829	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000360165546	428187763	/nfs/dbraw/zinc/18/77/63/428187763.db2.gz	YMOHILMFXVHRBA-QAPCUYQASA-N	0	3	315.417	2.576	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H]1C	ZINC000346671856	428266976	/nfs/dbraw/zinc/26/69/76/428266976.db2.gz	VYCCEKSZHVRSHO-HIFRSBDPSA-N	0	3	300.402	2.871	20	30		DFEDHN
Cc1ccc([C@H](CNc2ccnc(C#N)c2)N2CCCC2)cc1	ZINC000341932462	428254141	/nfs/dbraw/zinc/25/41/41/428254141.db2.gz	NDHDQXLAOSRPCE-IBGZPJMESA-N	0	3	306.413	2.933	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1	ZINC000414321692	428257540	/nfs/dbraw/zinc/25/75/40/428257540.db2.gz	UJICHWYUSUPZEL-INWMFGNUSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCCC1(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CC1	ZINC000356803878	428312694	/nfs/dbraw/zinc/31/26/94/428312694.db2.gz	JBUSUVLNPJICJB-HUUCEWRRSA-N	0	3	308.491	2.771	20	30		DFEDHN
Cc1nnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c(C#N)c1C	ZINC000360473000	428312813	/nfs/dbraw/zinc/31/28/13/428312813.db2.gz	OXZYBJPWMNXZQW-QGZVFWFLSA-N	0	3	321.428	2.676	20	30		DFEDHN
CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCN(C2CC2)C1	ZINC000352956328	428326241	/nfs/dbraw/zinc/32/62/41/428326241.db2.gz	LHJZEVZFJNECSC-ZDUSSCGKSA-N	0	3	303.793	2.520	20	30		DFEDHN
CC(C)[C@@](C)(CO)NCc1cc(C#N)ccc1Br	ZINC000352895661	428301396	/nfs/dbraw/zinc/30/13/96/428301396.db2.gz	VVEXIDBCWHEIJU-CQSZACIVSA-N	0	3	311.223	2.817	20	30		DFEDHN
Cc1ccc([C@@H](CNc2cc(C#N)cc(C)n2)N2CCCC2)o1	ZINC000342101335	428301780	/nfs/dbraw/zinc/30/17/80/428301780.db2.gz	XPQHCFRJYQNICL-MRXNPFEDSA-N	0	3	310.401	3.412	20	30		DFEDHN
CC(C)[C@@](C)(CO)NCc1ccc(C#N)cc1Br	ZINC000352892843	428302246	/nfs/dbraw/zinc/30/22/46/428302246.db2.gz	MOAUOPKZXJYNEL-CQSZACIVSA-N	0	3	311.223	2.817	20	30		DFEDHN
N#Cc1ccnc(N[C@@H]2CCN(CC3CCCC3)C2)c1Cl	ZINC000342299644	428391514	/nfs/dbraw/zinc/39/15/14/428391514.db2.gz	XGUKNYDRBGJXMF-CQSZACIVSA-N	0	3	304.825	3.283	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000371655025	428399115	/nfs/dbraw/zinc/39/91/15/428399115.db2.gz	XXOJBIFVKLEUBR-WBVHZDCISA-N	0	3	316.449	2.557	20	30		DFEDHN
CN(C(=O)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2)C1CC1	ZINC000378467361	428404379	/nfs/dbraw/zinc/40/43/79/428404379.db2.gz	RQXFQWHFGDJCFV-GOSISDBHSA-N	0	3	323.440	2.781	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(F)c(F)c2)C1	ZINC000371822103	428405005	/nfs/dbraw/zinc/40/50/05/428405005.db2.gz	HDXCMBJNJVGRGM-TZMCWYRMSA-N	0	3	308.372	2.520	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCN(C(=O)c2ccncc2)CC1	ZINC000371844087	428406819	/nfs/dbraw/zinc/40/68/19/428406819.db2.gz	IPHQVMCNWVICAX-UHFFFAOYSA-N	0	3	314.433	2.559	20	30		DFEDHN
C#CCC(C)(C)C(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000372010261	428410549	/nfs/dbraw/zinc/41/05/49/428410549.db2.gz	ODCMGSUYLAXSIF-UHFFFAOYSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H](C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C)c1cccc(C#N)c1	ZINC000360597812	428362749	/nfs/dbraw/zinc/36/27/49/428362749.db2.gz	QGOUKQXTGISCJL-VKJFTORMSA-N	0	3	311.429	2.747	20	30		DFEDHN
Cc1c(C#N)cccc1-c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000346904634	428365350	/nfs/dbraw/zinc/36/53/50/428365350.db2.gz	WNVZZJXVGZSANS-GASCZTMLSA-N	0	3	321.384	2.772	20	30		DFEDHN
N#Cc1ncn(CCNCc2ccc(-c3ccccc3)cc2)n1	ZINC000353038364	428366254	/nfs/dbraw/zinc/36/62/54/428366254.db2.gz	MNROVSKZILYFLO-UHFFFAOYSA-N	0	3	303.369	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)C(F)(F)F)CC1	ZINC000356981942	428369408	/nfs/dbraw/zinc/36/94/08/428369408.db2.gz	JZGJTIQYCABYTM-NSHDSACASA-N	0	3	307.360	2.525	20	30		DFEDHN
Cc1cc(C)n([C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000371160006	428372389	/nfs/dbraw/zinc/37/23/89/428372389.db2.gz	IKIMGMZNOSRBIM-OALUTQOASA-N	0	3	324.428	2.742	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)c1ccco1	ZINC000360645335	428382161	/nfs/dbraw/zinc/38/21/61/428382161.db2.gz	DIZMCEKSBJCYNE-QGZVFWFLSA-N	0	3	323.396	2.938	20	30		DFEDHN
C[C@@H](NCC1CCN(c2ccccc2C#N)CC1)c1cnccn1	ZINC000378397326	428385622	/nfs/dbraw/zinc/38/56/22/428385622.db2.gz	CXTPSSDTRLUTGI-OAHLLOKOSA-N	0	3	321.428	2.915	20	30		DFEDHN
CC(C)CCO[C@@H]1CCCC[C@H]1NCC(=O)NC1(C#N)CCC1	ZINC000347082882	428437224	/nfs/dbraw/zinc/43/72/24/428437224.db2.gz	KWPCBPZRDRRBCE-HZPDHXFCSA-N	0	3	321.465	2.512	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2cccc(Br)c2)CC1	ZINC000347090249	428439518	/nfs/dbraw/zinc/43/95/18/428439518.db2.gz	QYGKEMFAWXBHHA-SNVBAGLBSA-N	0	3	307.191	2.757	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@H](CCOC)C1	ZINC000342702351	428441676	/nfs/dbraw/zinc/44/16/76/428441676.db2.gz	ONTUEPUDWZAIFG-DLBZAZTESA-N	0	3	310.482	2.938	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1	ZINC000347092543	428441986	/nfs/dbraw/zinc/44/19/86/428441986.db2.gz	ACMNMPIHTAQMAU-CJNGLKHVSA-N	0	3	319.836	2.970	20	30		DFEDHN
Cc1cc(NCc2ccccc2OCCN(C)C)cc(C#N)n1	ZINC000357224885	428442812	/nfs/dbraw/zinc/44/28/12/428442812.db2.gz	BVPURAZKFUHIBX-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
COCC[C@@H]1CCCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000342764567	428448995	/nfs/dbraw/zinc/44/89/95/428448995.db2.gz	ZXVZLIRNBFOSAE-SOLBZPMBSA-N	0	3	323.481	2.568	20	30		DFEDHN
CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C(C)C#N)O[C@@H](C)C2	ZINC000347121938	428455546	/nfs/dbraw/zinc/45/55/46/428455546.db2.gz	ZSLWSFWAAGQQIX-MPXAEWJHSA-N	0	3	314.385	2.540	20	30		DFEDHN
C[C@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000342357581	428415628	/nfs/dbraw/zinc/41/56/28/428415628.db2.gz	GFUZANYIEBPCPG-MAUKXSAKSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000342366981	428418543	/nfs/dbraw/zinc/41/85/43/428418543.db2.gz	WALYBHSGGSISEL-NJAFHUGGSA-N	0	3	316.445	2.604	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](CC)N(C)C	ZINC000342477752	428429622	/nfs/dbraw/zinc/42/96/22/428429622.db2.gz	YUCPNRIREDKATG-MRXNPFEDSA-N	0	3	306.454	2.709	20	30		DFEDHN
CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1	ZINC000347070463	428432603	/nfs/dbraw/zinc/43/26/03/428432603.db2.gz	NUVBNFPNTOMPFO-QWHCGFSZSA-N	0	3	316.405	2.897	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](c2ccncc2)C(C)C)CC1	ZINC000353311742	428480710	/nfs/dbraw/zinc/48/07/10/428480710.db2.gz	GNIONKWDZPCLLP-KRWDZBQOSA-N	0	3	301.434	2.588	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1Cn1cncn1	ZINC000372747162	428497991	/nfs/dbraw/zinc/49/79/91/428497991.db2.gz	NQWVSSJDRWZRQD-MRXNPFEDSA-N	0	3	309.417	2.744	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)C1(CC)CC	ZINC000360948745	428503473	/nfs/dbraw/zinc/50/34/73/428503473.db2.gz	VTWATPKIHMGTJM-ARFHVFGLSA-N	0	3	323.481	2.568	20	30		DFEDHN
C=CCCCN(C)Cc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000347241679	428507944	/nfs/dbraw/zinc/50/79/44/428507944.db2.gz	AYTQLWLXTDLRCO-UHFFFAOYSA-N	0	3	305.374	2.658	20	30		DFEDHN
Cc1ccc(C#N)c(N2CC[C@H](N(C)Cc3ccccc3)C2)n1	ZINC000372976833	428510305	/nfs/dbraw/zinc/51/03/05/428510305.db2.gz	ROOJNQPFXPRGTF-SFHVURJKSA-N	0	3	306.413	2.972	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C	ZINC000397792692	428512636	/nfs/dbraw/zinc/51/26/36/428512636.db2.gz	AMRBYSATOVXXFS-KBPBESRZSA-N	0	3	319.405	2.933	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C	ZINC000397792698	428513313	/nfs/dbraw/zinc/51/33/13/428513313.db2.gz	AMRBYSATOVXXFS-ZIAGYGMSSA-N	0	3	319.405	2.933	20	30		DFEDHN
CC(C)Cn1ccnc1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21	ZINC000373185285	428521098	/nfs/dbraw/zinc/52/10/98/428521098.db2.gz	IAKDXUJNLUDIPW-VQHPVUNQSA-N	0	3	316.449	2.869	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc(OC)c1O	ZINC000347272392	428522227	/nfs/dbraw/zinc/52/22/27/428522227.db2.gz	DJZGCKYFQLRPPN-SWLSCSKDSA-N	0	3	319.401	2.513	20	30		DFEDHN
C=CCc1cc(CN2CCC23CCOCC3)cc(OC)c1O	ZINC000373209805	428522670	/nfs/dbraw/zinc/52/26/70/428522670.db2.gz	MMUAWUOKMBFUIZ-UHFFFAOYSA-N	0	3	303.402	2.884	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1	ZINC000373225209	428523837	/nfs/dbraw/zinc/52/38/37/428523837.db2.gz	DAWWWBWPQNDAPH-KRWDZBQOSA-N	0	3	309.413	2.812	20	30		DFEDHN
CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1	ZINC000373481507	428588187	/nfs/dbraw/zinc/58/81/87/428588187.db2.gz	FAQZNEWHOYTQIK-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
C/C(=C\c1ccccc1)CN1CCC(n2cnc(C#N)n2)CC1	ZINC000373491785	428590753	/nfs/dbraw/zinc/59/07/53/428590753.db2.gz	YGVCCPPNQJPXCF-RVDMUPIBSA-N	0	3	307.401	2.890	20	30		DFEDHN
N#Cc1ncn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)n1	ZINC000373489512	428591787	/nfs/dbraw/zinc/59/17/87/428591787.db2.gz	LFUALXDQOFZMAO-OWOJBTEDSA-N	0	3	311.364	2.639	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)CC[C@H]2C)cc(OC)c1O	ZINC000353433484	428534796	/nfs/dbraw/zinc/53/47/96/428534796.db2.gz	GMDHEPLCEQFXHE-CQSZACIVSA-N	0	3	304.434	2.655	20	30		DFEDHN
C=CCc1cc(OCC)ccc1OC[C@@H](O)CN(C)C1CC1	ZINC000357436978	428535891	/nfs/dbraw/zinc/53/58/91/428535891.db2.gz	KBJBNTPYMHERAC-INIZCTEOSA-N	0	3	305.418	2.648	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc(OC)c1O	ZINC000361152268	428540622	/nfs/dbraw/zinc/54/06/22/428540622.db2.gz	IVEOWXILVGMOPL-KGLIPLIRSA-N	0	3	304.434	2.654	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)[C@@H](C)CN1C	ZINC000361165505	428543796	/nfs/dbraw/zinc/54/37/96/428543796.db2.gz	JRGKTXCPEPXXAN-CVEARBPZSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](CC)c2c(C)noc2C)CC1	ZINC000357579326	428548593	/nfs/dbraw/zinc/54/85/93/428548593.db2.gz	GFIYPIRWPPHCHL-INIZCTEOSA-N	0	3	319.449	2.942	20	30		DFEDHN
CN1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1	ZINC000373375745	428560157	/nfs/dbraw/zinc/56/01/57/428560157.db2.gz	FVFTYDODTXSAAE-IUODEOHRSA-N	0	3	305.447	2.797	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21	ZINC000373391261	428565202	/nfs/dbraw/zinc/56/52/02/428565202.db2.gz	FZBUWRFYUUYEPZ-XHSDSOJGSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1	ZINC000357831088	428565898	/nfs/dbraw/zinc/56/58/98/428565898.db2.gz	OJTYGTLZNYEJHX-RISCZKNCSA-N	0	3	323.799	2.892	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000357798460	428566159	/nfs/dbraw/zinc/56/61/59/428566159.db2.gz	LMLHOIZQESUUKQ-HNNXBMFYSA-N	0	3	307.397	2.644	20	30		DFEDHN
Cc1ccncc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000357851203	428568668	/nfs/dbraw/zinc/56/86/68/428568668.db2.gz	NPSAGOPONUZICZ-KRWDZBQOSA-N	0	3	318.380	2.603	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)C(C)C(F)(F)F)cc1	ZINC000361466344	428569725	/nfs/dbraw/zinc/56/97/25/428569725.db2.gz	PZBPQLUCCUILEX-SECBINFHSA-N	0	3	300.280	2.739	20	30		DFEDHN
COc1ccc(CN(CCc2ccccn2)C(=O)C(C)C#N)cc1	ZINC000358017950	428576658	/nfs/dbraw/zinc/57/66/58/428576658.db2.gz	PEGACDWQBYVRDU-OAHLLOKOSA-N	0	3	323.396	2.821	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC#CC	ZINC000361562907	428576778	/nfs/dbraw/zinc/57/67/78/428576778.db2.gz	GQKYKPFVIODBHT-UHFFFAOYSA-N	0	3	304.463	2.608	20	30		DFEDHN
C=CCC(C)(C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000358041589	428578056	/nfs/dbraw/zinc/57/80/56/428578056.db2.gz	UBXZWCPGOOCIOZ-MRXNPFEDSA-N	0	3	302.418	2.794	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353568793	428599171	/nfs/dbraw/zinc/59/91/71/428599171.db2.gz	BMSMSTIHFIIXBV-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)Cc1ccc(Br)cc1F	ZINC000353573030	428603429	/nfs/dbraw/zinc/60/34/29/428603429.db2.gz	UEAJMNRHAVUUNS-JOYOIKCWSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000361905176	428603913	/nfs/dbraw/zinc/60/39/13/428603913.db2.gz	CQJJCZRPCBBKNT-QGZVFWFLSA-N	0	3	316.449	2.511	20	30		DFEDHN
N#CCc1cccc(NC(=O)NC[C@@H]2NCCc3ccccc32)c1	ZINC000415810222	428615712	/nfs/dbraw/zinc/61/57/12/428615712.db2.gz	NXZFJGKNLNWEMP-SFHVURJKSA-N	0	3	320.396	2.761	20	30		DFEDHN
COC(=O)CC1(NCc2cccc(OCCCC#N)c2)CCC1	ZINC000347655482	428620158	/nfs/dbraw/zinc/62/01/58/428620158.db2.gz	ATHIVABSMKXRRO-UHFFFAOYSA-N	0	3	316.401	2.945	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC(C)C)c1cccs1	ZINC000347621020	428620313	/nfs/dbraw/zinc/62/03/13/428620313.db2.gz	YTQLFQKYUAPQEZ-QWHCGFSZSA-N	0	3	323.462	2.825	20	30		DFEDHN
Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(C)C#N)cc1	ZINC000347719823	428622139	/nfs/dbraw/zinc/62/21/39/428622139.db2.gz	HZBYQNBYOCGMKA-WBVHZDCISA-N	0	3	300.402	2.705	20	30		DFEDHN
COCCOc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F	ZINC000344260805	428627338	/nfs/dbraw/zinc/62/73/38/428627338.db2.gz	FNVGURULNVEVCV-VIFPVBQESA-N	0	3	316.279	2.720	20	30		DFEDHN
CN(C)CCN(C(=O)NCC(C)(C)CCC#N)C1CCCC1	ZINC000358706289	428634749	/nfs/dbraw/zinc/63/47/49/428634749.db2.gz	JOIANFPZUHNWPC-UHFFFAOYSA-N	0	3	308.470	2.832	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1(C)C	ZINC000347875624	428627674	/nfs/dbraw/zinc/62/76/74/428627674.db2.gz	FUZANCBNRDBUQD-GFCCVEGCSA-N	0	3	305.809	2.927	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H](F)C1)C(C)C	ZINC000348051081	428634835	/nfs/dbraw/zinc/63/48/35/428634835.db2.gz	TZBULMRVEQWRII-ARFHVFGLSA-N	0	3	311.445	2.875	20	30		DFEDHN
COCC[C@@H](NCCOc1ccc(C#N)cc1)c1ccco1	ZINC000347938659	428632183	/nfs/dbraw/zinc/63/21/83/428632183.db2.gz	WKPWVOVZGWFERM-MRXNPFEDSA-N	0	3	300.358	2.897	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000347960140	428632196	/nfs/dbraw/zinc/63/21/96/428632196.db2.gz	FBHNDMIYUXTGDA-UHFFFAOYSA-N	0	3	320.408	2.613	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415973038	428639587	/nfs/dbraw/zinc/63/95/87/428639587.db2.gz	PTBDSSPMMFEZBK-VIFPVBQESA-N	0	3	314.311	2.787	20	30		DFEDHN
C=CCOCCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000348054401	428635447	/nfs/dbraw/zinc/63/54/47/428635447.db2.gz	YLTQOGHWRHQPSX-UHFFFAOYSA-N	0	3	318.417	2.635	20	30		DFEDHN
C=CCOCCCN[C@@H](CO)c1cccc(Br)c1	ZINC000348030163	428635816	/nfs/dbraw/zinc/63/58/16/428635816.db2.gz	ITNOEVQUIICVQK-AWEZNQCLSA-N	0	3	314.223	2.665	20	30		DFEDHN
Cc1noc([C@@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1	ZINC000374111414	428664224	/nfs/dbraw/zinc/66/42/24/428664224.db2.gz	BOMIDEGOTGILEM-OAHLLOKOSA-N	0	3	318.421	2.658	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC000374062488	428661791	/nfs/dbraw/zinc/66/17/91/428661791.db2.gz	SEMZJAJNUFAVHY-HFTRVMKXSA-N	0	3	314.429	2.660	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)CCN1CCc2ccccc2C1	ZINC000416233174	428696155	/nfs/dbraw/zinc/69/61/55/428696155.db2.gz	IHMIBRLKTAIVKL-UHFFFAOYSA-N	0	3	313.445	2.881	20	30		DFEDHN
C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1cccnc1	ZINC000358848504	428704034	/nfs/dbraw/zinc/70/40/34/428704034.db2.gz	BBYXYPYMRSWYNG-GFCCVEGCSA-N	0	3	303.435	2.568	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C#N)C[C@H]1C	ZINC000410725121	428706388	/nfs/dbraw/zinc/70/63/88/428706388.db2.gz	YFNHVGKBVMOHDP-HHXXYDBFSA-N	0	3	313.445	2.809	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000416335543	428720422	/nfs/dbraw/zinc/72/04/22/428720422.db2.gz	VSSKZWQKXZOAMT-QGZVFWFLSA-N	0	3	319.405	2.514	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000362380838	428727249	/nfs/dbraw/zinc/72/72/49/428727249.db2.gz	SVERTCBTGSNKSI-HZPDHXFCSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccncc2CC)CC1	ZINC000358788934	428677315	/nfs/dbraw/zinc/67/73/15/428677315.db2.gz	MHRWXHMPKWWRQY-CQSZACIVSA-N	0	3	316.449	2.655	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCc2cc(Br)ccc21	ZINC000358978250	428755858	/nfs/dbraw/zinc/75/58/58/428755858.db2.gz	BYXADHMHNUVRGS-AWEZNQCLSA-N	0	3	323.234	2.718	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000358984258	428758082	/nfs/dbraw/zinc/75/80/82/428758082.db2.gz	SKCGQPFRPDLOJL-MUJYYYPQSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCC[C@H]2OCc2ccccc2)C1=O	ZINC000348520514	428765482	/nfs/dbraw/zinc/76/54/82/428765482.db2.gz	KFEJEGTYTVHWGV-OKZBNKHCSA-N	0	3	314.429	2.501	20	30		DFEDHN
CC[C@H]1CN(CCC2(C#N)CCCCC2)CCN1C[C@@H](C)O	ZINC000411235758	428765689	/nfs/dbraw/zinc/76/56/89/428765689.db2.gz	GSIWZHMOSULVSH-SJORKVTESA-N	0	3	307.482	2.628	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000358995251	428766798	/nfs/dbraw/zinc/76/67/98/428766798.db2.gz	WNMLMGOMDQCCDA-WBVHZDCISA-N	0	3	308.466	2.594	20	30		DFEDHN
COc1cc2c(c(OC)c1OC)CCN([C@H](C)CCC#N)CC2	ZINC000411320838	428776814	/nfs/dbraw/zinc/77/68/14/428776814.db2.gz	HBPNCAHDJHOSDY-CYBMUJFWSA-N	0	3	318.417	2.805	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)cc1	ZINC000348547970	428782528	/nfs/dbraw/zinc/78/25/28/428782528.db2.gz	PNHCVFWBPZNHQA-AEFFLSMTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnccc2C#N)C1	ZINC000345176835	428783542	/nfs/dbraw/zinc/78/35/42/428783542.db2.gz	WFLSQPTXNRLUOS-RHSMWYFYSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCOCC2)CN1CCC1(C#N)CCCCC1	ZINC000411724164	428846288	/nfs/dbraw/zinc/84/62/88/428846288.db2.gz	YLBSHCSSJMQIPD-IAGOWNOFSA-N	0	3	305.466	2.646	20	30		DFEDHN
CCOC(=O)c1cnn(C2CCN([C@@H](C)CCC#N)CC2)c1C	ZINC000411719206	428847665	/nfs/dbraw/zinc/84/76/65/428847665.db2.gz	KWWGLBRCNMPWCX-ZDUSSCGKSA-N	0	3	318.421	2.697	20	30		DFEDHN
CC(C)N1C(=O)N[C@@H]2CN(CCC3(C#N)CCCCC3)CC[C@@H]21	ZINC000411710160	428847936	/nfs/dbraw/zinc/84/79/36/428847936.db2.gz	NLFASDUFGQJYEQ-CVEARBPZSA-N	0	3	318.465	2.727	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCC3(O)CCC3)CC2)c(F)c1	ZINC000411726953	428849644	/nfs/dbraw/zinc/84/96/44/428849644.db2.gz	MMZAZTXPXCGRCM-UHFFFAOYSA-N	0	3	318.392	2.846	20	30		DFEDHN
C=C[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000362615854	428795044	/nfs/dbraw/zinc/79/50/44/428795044.db2.gz	UDPPGZIQKYFXPG-OAHLLOKOSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1	ZINC000359067091	428801679	/nfs/dbraw/zinc/80/16/79/428801679.db2.gz	YPYJSGDXUOAIBR-KRWDZBQOSA-N	0	3	302.418	2.742	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)s1	ZINC000362904688	428811276	/nfs/dbraw/zinc/81/12/76/428811276.db2.gz	ONPMPUSZOTWVLF-XQQFMLRXSA-N	0	3	305.447	2.716	20	30		DFEDHN
C[C@@H]1CN(CC(C)(C)O)CCN1CCC1(C#N)CCCCC1	ZINC000411599353	428822555	/nfs/dbraw/zinc/82/25/55/428822555.db2.gz	BYPAKUNRKCBVOQ-MRXNPFEDSA-N	0	3	307.482	2.628	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)N1CCc2ccc(C#N)cc21	ZINC000362959443	428825202	/nfs/dbraw/zinc/82/52/02/428825202.db2.gz	ZFPONBYRWBUMCQ-UHFFFAOYSA-N	0	3	305.381	2.823	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1	ZINC000411646862	428831374	/nfs/dbraw/zinc/83/13/74/428831374.db2.gz	WMGVRDLZDGPLJR-UHFFFAOYSA-N	0	3	307.394	2.543	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000363324744	428906128	/nfs/dbraw/zinc/90/61/28/428906128.db2.gz	SIEXGBCKPSOFNQ-CQSZACIVSA-N	0	3	319.474	2.671	20	30		DFEDHN
COC1([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)CCC1	ZINC000412020911	428910542	/nfs/dbraw/zinc/91/05/42/428910542.db2.gz	KURJQGYLWXBGAB-LBPRGKRZSA-N	0	3	321.446	2.722	20	30		DFEDHN
CC#CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000354108243	428865352	/nfs/dbraw/zinc/86/53/52/428865352.db2.gz	ODUPMXRLURQFBO-INIZCTEOSA-N	0	3	302.393	2.567	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C2CC2)C1	ZINC000359216791	428870271	/nfs/dbraw/zinc/87/02/71/428870271.db2.gz	BUMZZCACYHXSKS-HNNXBMFYSA-N	0	3	317.408	2.760	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000411891209	428877358	/nfs/dbraw/zinc/87/73/58/428877358.db2.gz	JMUPEWDIBPEEHM-OLMNPRSZSA-N	0	3	316.445	2.702	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccc(C#N)cc1	ZINC000348931780	428880549	/nfs/dbraw/zinc/88/05/49/428880549.db2.gz	CBLMWVHSTJMWHY-UHFFFAOYSA-N	0	3	308.385	2.587	20	30		DFEDHN
N#Cc1c(F)ccc(CN2CCC[C@H](c3nc[nH]n3)C2)c1Cl	ZINC000375429665	428881645	/nfs/dbraw/zinc/88/16/45/428881645.db2.gz	ZPASQTAPVCIQOW-NSHDSACASA-N	0	3	319.771	2.848	20	30		DFEDHN
N#Cc1ccccc1OCCN1C[C@@H](O)C[C@H]1c1ccccc1	ZINC000411957278	428892670	/nfs/dbraw/zinc/89/26/70/428892670.db2.gz	WPXLUOIZASYMAD-ROUUACIJSA-N	0	3	308.381	2.745	20	30		DFEDHN
C[C@@H]1NCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H]1C	ZINC000418208276	428899738	/nfs/dbraw/zinc/89/97/38/428899738.db2.gz	CZNSIZZXXCHIDH-ZOBUZTSGSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000418214010	428901486	/nfs/dbraw/zinc/90/14/86/428901486.db2.gz	LLJHATJDLBKJCH-INIZCTEOSA-N	0	3	301.434	2.775	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000363324743	428906001	/nfs/dbraw/zinc/90/60/01/428906001.db2.gz	SIEXGBCKPSOFNQ-AWEZNQCLSA-N	0	3	319.474	2.671	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(CC(C)C)c[nH]2)CC1	ZINC000412032321	428913060	/nfs/dbraw/zinc/91/30/60/428913060.db2.gz	DIYSJBKNPOEFOT-UHFFFAOYSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)NC[C@H](N)c3ccccc3)CC2)c1	ZINC000418423573	428919138	/nfs/dbraw/zinc/91/91/38/428919138.db2.gz	FXOOZRFMCOLETM-KRWDZBQOSA-N	0	3	320.396	2.547	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCc3ccccc3O2)CC1	ZINC000412037202	428921595	/nfs/dbraw/zinc/92/15/95/428921595.db2.gz	JFDJBNBRXHOXJH-GOSISDBHSA-N	0	3	314.429	2.537	20	30		DFEDHN
COc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1Cl	ZINC000412049513	428928360	/nfs/dbraw/zinc/92/83/60/428928360.db2.gz	YSZNCYKROHILJJ-UHFFFAOYSA-N	0	3	323.824	2.543	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000412069527	428940547	/nfs/dbraw/zinc/94/05/47/428940547.db2.gz	HAYVBCILGYXMNO-CZUORRHYSA-N	0	3	300.402	2.968	20	30		DFEDHN
N#CC1(F)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1	ZINC000359365216	428941174	/nfs/dbraw/zinc/94/11/74/428941174.db2.gz	SWQAWYIDZXOYCG-INIZCTEOSA-N	0	3	315.392	2.505	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2cc(C#N)ccc2C(F)(F)F)C1	ZINC000420259804	428952011	/nfs/dbraw/zinc/95/20/11/428952011.db2.gz	IFHOPEYXRZHYRL-CYBMUJFWSA-N	0	3	301.287	2.715	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)Cc1ccc(C#N)cc1F	ZINC000349329608	428965129	/nfs/dbraw/zinc/96/51/29/428965129.db2.gz	HZFVYMLJQDDJHY-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@]2(CCSC2)C1	ZINC000451969787	429031151	/nfs/dbraw/zinc/03/11/51/429031151.db2.gz	XBPZOXRFXBTQTI-RDJZCZTQSA-N	0	3	308.491	2.795	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CC1(F)F)C(C)C	ZINC000421767861	429031443	/nfs/dbraw/zinc/03/14/43/429031443.db2.gz	BYTYXZJVCVBAQT-ZFWWWQNUSA-N	0	3	300.393	2.847	20	30		DFEDHN
COc1cc2c(cc1C(=O)C(C#N)c1nc(C)cs1)OCO2	ZINC000354366124	428978829	/nfs/dbraw/zinc/97/88/29/428978829.db2.gz	GDFXRYPXQBEOQE-SNVBAGLBSA-N	0	3	316.338	2.679	20	30		DFEDHN
C=CCCCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000355197938	429033701	/nfs/dbraw/zinc/03/37/01/429033701.db2.gz	SKLFLDLXCNORDI-QGZVFWFLSA-N	0	3	319.449	2.953	20	30		DFEDHN
C[C@@H](N[C@@H]1COCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451806446	428982221	/nfs/dbraw/zinc/98/22/21/428982221.db2.gz	DRMYDMJPUQIWSL-QMTHXVAHSA-N	0	3	321.808	2.553	20	30		DFEDHN
Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)n1	ZINC000354463561	428987237	/nfs/dbraw/zinc/98/72/37/428987237.db2.gz	IGAHLEGLYDFNBY-MRXNPFEDSA-N	0	3	317.352	2.769	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)cc1)c1ccncn1	ZINC000354461943	428989185	/nfs/dbraw/zinc/98/91/85/428989185.db2.gz	GUKUWBMJLWADOZ-GFCCVEGCSA-N	0	3	321.258	2.908	20	30		DFEDHN
COc1ccc(CN2C[C@H](O)CC[C@@H]2C)cc1OCCCC#N	ZINC000421365720	428991142	/nfs/dbraw/zinc/99/11/42/428991142.db2.gz	CAIHFYXGIBOISG-GOEBONIOSA-N	0	3	318.417	2.723	20	30		DFEDHN
COc1ccc(CN2C[C@@H](O)CC[C@H]2C)cc1OCCCC#N	ZINC000421365722	428991649	/nfs/dbraw/zinc/99/16/49/428991649.db2.gz	CAIHFYXGIBOISG-ZBFHGGJFSA-N	0	3	318.417	2.723	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000354554655	428997176	/nfs/dbraw/zinc/99/71/76/428997176.db2.gz	ZLAUKHDCJWSAGT-GXFFZTMASA-N	0	3	312.291	2.765	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000354748469	429008748	/nfs/dbraw/zinc/00/87/48/429008748.db2.gz	LBRLAIYVHBPXKN-JQFCIGGWSA-N	0	3	322.474	2.574	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Br)c1	ZINC000424083925	429089267	/nfs/dbraw/zinc/08/92/67/429089267.db2.gz	BNVZMIODQRIFIP-GXFFZTMASA-N	0	3	324.222	2.647	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@H](CSc2ccccc2)C1	ZINC000424117777	429093876	/nfs/dbraw/zinc/09/38/76/429093876.db2.gz	BVJQZSFOISWEGG-HOCLYGCPSA-N	0	3	317.458	2.648	20	30		DFEDHN
CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H](N)CCCC#N)CC1	ZINC000424120389	429094322	/nfs/dbraw/zinc/09/43/22/429094322.db2.gz	HAKWKAXIUJSTNJ-SJJHQCBESA-N	0	3	321.465	2.594	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H](N)CCCC#N	ZINC000424125998	429094798	/nfs/dbraw/zinc/09/47/98/429094798.db2.gz	OKASZPHUSXUOIB-XFBWCDHKSA-N	0	3	303.381	2.586	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Cl	ZINC000424119793	429094902	/nfs/dbraw/zinc/09/49/02/429094902.db2.gz	GFOMBPNOMAQOLX-JSGCOSHPSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1	ZINC000424123540	429095118	/nfs/dbraw/zinc/09/51/18/429095118.db2.gz	LBVSRURDDQZNAQ-ZDUSSCGKSA-N	0	3	305.353	2.574	20	30		DFEDHN
C=CCC1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CCC1	ZINC000355333007	429040305	/nfs/dbraw/zinc/04/03/05/429040305.db2.gz	GQSPXBJFDXUOPD-QGZVFWFLSA-N	0	3	314.429	2.938	20	30		DFEDHN
COC1([C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000421862161	429040907	/nfs/dbraw/zinc/04/09/07/429040907.db2.gz	IYOXTIOYNLXCPR-STQMWFEESA-N	0	3	306.381	2.932	20	30		DFEDHN
CN(CC#Cc1ccccc1)C1CCN(CC(F)(F)F)CC1	ZINC000452033716	429042470	/nfs/dbraw/zinc/04/24/70/429042470.db2.gz	QVJOVXDIGKKWKJ-UHFFFAOYSA-N	0	3	310.363	2.997	20	30		DFEDHN
C=CCOc1cccc(CN(CCO)[C@H]2CCCSC2)c1	ZINC000355479361	429048191	/nfs/dbraw/zinc/04/81/91/429048191.db2.gz	ADNZQWVHYGAVQZ-INIZCTEOSA-N	0	3	307.459	2.941	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1NC1CC1	ZINC000424131776	429096717	/nfs/dbraw/zinc/09/67/17/429096717.db2.gz	JTDAUKXLPDTLLF-LBPRGKRZSA-N	0	3	306.797	2.874	20	30		DFEDHN
C=C(C)[C@H](N[C@H](C)C[C@@H]1COCCN1)c1ccc(F)c(F)c1	ZINC000423049359	429053958	/nfs/dbraw/zinc/05/39/58/429053958.db2.gz	JRXAQSTYSFTXQK-MRRJBJDNSA-N	0	3	310.388	2.939	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H](C)C1	ZINC000452127533	429066181	/nfs/dbraw/zinc/06/61/81/429066181.db2.gz	SPWCRNPUDDLRMM-IUVQAAGXSA-N	0	3	315.461	2.649	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(Cl)cc(Br)c1	ZINC000412628742	429071915	/nfs/dbraw/zinc/07/19/15/429071915.db2.gz	ZFUFMPLUEIABJR-SSDOTTSWSA-N	0	3	301.571	2.878	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000424065923	429086317	/nfs/dbraw/zinc/08/63/17/429086317.db2.gz	MHAAQLUXOLMVFT-ZWNOBZJWSA-N	0	3	313.323	2.904	20	30		DFEDHN
Cc1ccc(Br)cc1NC(=O)[C@@H](N)CCCC#N	ZINC000424083733	429088813	/nfs/dbraw/zinc/08/88/13/429088813.db2.gz	NRGCXLIXIXCXLF-NSHDSACASA-N	0	3	310.195	2.717	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2C2CC2)c(OC)c1	ZINC000453031474	429143211	/nfs/dbraw/zinc/14/32/11/429143211.db2.gz	YUUBUCAROYRGQD-DLBZAZTESA-N	0	3	317.429	2.648	20	30		DFEDHN
Cc1cc(N2CC[C@@H](N3CCCCC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413130779	429145364	/nfs/dbraw/zinc/14/53/64/429145364.db2.gz	HGLCQYHLDNLYOW-OAHLLOKOSA-N	0	3	314.389	2.840	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453359105	429147254	/nfs/dbraw/zinc/14/72/54/429147254.db2.gz	NMSXNIGYOKZTRF-XKQJLSEDSA-N	0	3	300.402	2.808	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000424500895	429147807	/nfs/dbraw/zinc/14/78/07/429147807.db2.gz	KVZDKLXZVLZNKF-HIEASXQVSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)c1ccccc1	ZINC000424499793	429147949	/nfs/dbraw/zinc/14/79/49/429147949.db2.gz	GMNFMVBONOSWMZ-SJORKVTESA-N	0	3	302.418	2.562	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453459551	429150644	/nfs/dbraw/zinc/15/06/44/429150644.db2.gz	CVJNIVOGWGJCFI-OAHLLOKOSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000453444730	429151276	/nfs/dbraw/zinc/15/12/76/429151276.db2.gz	NKOAWDYKJDTDPG-OWCLPIDISA-N	0	3	317.481	2.754	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCc2ncnn2C1	ZINC000360648794	274926685	/nfs/dbraw/zinc/92/66/85/274926685.db2.gz	SOIKHXDDMQNINB-NVXWUHKLSA-N	0	3	307.401	2.522	20	30		DFEDHN
N#Cc1cnc2ccccc2c1N1CCN(c2ccncc2)CC1	ZINC000301361395	274930584	/nfs/dbraw/zinc/93/05/84/274930584.db2.gz	QKQUMCGLCPJRHV-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000452345903	429100266	/nfs/dbraw/zinc/10/02/66/429100266.db2.gz	SOSPAOURHRVPFW-GVDBMIGSSA-N	0	3	308.466	2.594	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCCc2cccnc21	ZINC000424178766	429106249	/nfs/dbraw/zinc/10/62/49/429106249.db2.gz	XIYRVYOMQKTHSA-CVEARBPZSA-N	0	3	314.433	2.719	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1	ZINC000424188677	429108674	/nfs/dbraw/zinc/10/86/74/429108674.db2.gz	YLUMEFQTHZIYCA-VXGBXAGGSA-N	0	3	317.355	2.589	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccco2)cc1	ZINC000412940309	429112899	/nfs/dbraw/zinc/11/28/99/429112899.db2.gz	ITLZMAFNXZCUQX-BZUAXINKSA-N	0	3	305.337	2.506	20	30		DFEDHN
C=C(CC)CNC(=O)NCCCN1CCc2ccccc2C1	ZINC000454241349	429161549	/nfs/dbraw/zinc/16/15/49/429161549.db2.gz	BPQXURMQZMHYRA-UHFFFAOYSA-N	0	3	301.434	2.700	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000454253662	429162189	/nfs/dbraw/zinc/16/21/89/429162189.db2.gz	FEWDJTHBFIEXGV-UGUYLWEFSA-N	0	3	306.454	2.631	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000454373888	429164539	/nfs/dbraw/zinc/16/45/39/429164539.db2.gz	RMOBOTXQPSPFCT-QGZVFWFLSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=CCC1(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCOCC1	ZINC000424663694	429171536	/nfs/dbraw/zinc/17/15/36/429171536.db2.gz	NJFIWMHEPKVJJB-IYBDPMFKSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000454873061	429174897	/nfs/dbraw/zinc/17/48/97/429174897.db2.gz	NJJVMPMRLYYPOB-KRWDZBQOSA-N	0	3	301.434	2.774	20	30		DFEDHN
Cc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccc1C#N	ZINC000488406903	429179514	/nfs/dbraw/zinc/17/95/14/429179514.db2.gz	LQMJATGVKPBDNJ-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCOC1(C)C)C(C)C	ZINC000455257577	429183365	/nfs/dbraw/zinc/18/33/65/429183365.db2.gz	RHPMQRLRQVTRQX-HOTGVXAUSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCCC[C@@H]1C	ZINC000488627307	429187987	/nfs/dbraw/zinc/18/79/87/429187987.db2.gz	QXWLNTTWLSMSMW-STQMWFEESA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488733488	429193410	/nfs/dbraw/zinc/19/34/10/429193410.db2.gz	JSOMUCWMMFKHJW-XJKCOSOUSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1	ZINC000489121674	429218563	/nfs/dbraw/zinc/21/85/63/429218563.db2.gz	YRGRAPRTOIWUPW-HUUCEWRRSA-N	0	3	316.511	2.629	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCC1(C#N)CC1	ZINC000495542753	429220600	/nfs/dbraw/zinc/22/06/00/429220600.db2.gz	YJVSRNRJUPTLKM-KGLIPLIRSA-N	0	3	307.438	2.963	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC[C@@H](C)C1	ZINC000455927424	429225773	/nfs/dbraw/zinc/22/57/73/429225773.db2.gz	ZZYBUNHNHROLPB-HUUCEWRRSA-N	0	3	314.433	2.995	20	30		DFEDHN
COc1cc(CNC[C@]2(O)CCCC(C)(C)C2)ccc1C#N	ZINC000440640727	429225907	/nfs/dbraw/zinc/22/59/07/429225907.db2.gz	UBQBUQSHWOOGKK-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
COc1cc(CNCCOc2ccc(C#N)cc2)ccc1C#N	ZINC000440815663	429228502	/nfs/dbraw/zinc/22/85/02/429228502.db2.gz	KCWDCKKBGDDPDF-UHFFFAOYSA-N	0	3	307.353	2.607	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCCN1C	ZINC000455998400	429229580	/nfs/dbraw/zinc/22/95/80/429229580.db2.gz	DFINKJRLMDUPNJ-WMLDXEAASA-N	0	3	313.445	2.726	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000424829933	429196590	/nfs/dbraw/zinc/19/65/90/429196590.db2.gz	KUPNGHGWCJYZMY-MRXNPFEDSA-N	0	3	302.418	2.794	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1C[C@H](c2ccccc2)C1(C)C	ZINC000274282755	275433254	/nfs/dbraw/zinc/43/32/54/275433254.db2.gz	PDTWOQRTMZKABY-CVEARBPZSA-N	0	3	307.459	2.759	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C1CC1)N1CCCC1	ZINC000425127340	429236591	/nfs/dbraw/zinc/23/65/91/429236591.db2.gz	IUZPOSMPTFXKLN-KDOFPFPSSA-N	0	3	311.429	2.952	20	30		DFEDHN
CC(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)Nc1nccs1	ZINC000442829906	429237139	/nfs/dbraw/zinc/23/71/39/429237139.db2.gz	QNGYXRNPMMOZGU-UPJWGTAASA-N	0	3	306.435	2.778	20	30		DFEDHN
C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCCO1	ZINC000364651556	429242845	/nfs/dbraw/zinc/24/28/45/429242845.db2.gz	QKZKVZSDEIUUIZ-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H]1CC[C@@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1	ZINC000364675841	429247523	/nfs/dbraw/zinc/24/75/23/429247523.db2.gz	MSBPKEJHSBSINP-DNVCBOLYSA-N	0	3	311.429	2.687	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2CN(CCC(C)(C)C#N)C[C@H]2C1	ZINC000495709048	429250435	/nfs/dbraw/zinc/25/04/35/429250435.db2.gz	YGNQKSIIYIQXJT-OKILXGFUSA-N	0	3	307.438	2.725	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000443513894	429253855	/nfs/dbraw/zinc/25/38/55/429253855.db2.gz	YCAUHZZJRQASAA-WDEREUQCSA-N	0	3	312.339	2.891	20	30		DFEDHN
COCC(C)(C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1	ZINC000425280450	429257211	/nfs/dbraw/zinc/25/72/11/429257211.db2.gz	NOMCLQWXNSALMX-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
Cc1nccnc1[C@@H](C)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000364733274	429257358	/nfs/dbraw/zinc/25/73/58/429257358.db2.gz	JCMXTHABEYZYPU-WBVHZDCISA-N	0	3	321.428	2.976	20	30		DFEDHN
Cc1cc(CNc2cc(C(N)=O)ccc2CN(C)C)ccc1C#N	ZINC000444000728	429262198	/nfs/dbraw/zinc/26/21/98/429262198.db2.gz	FLLDCQREKKBXRG-UHFFFAOYSA-N	0	3	322.412	2.639	20	30		DFEDHN
C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1NC(=O)OC(C)(C)C	ZINC000495796386	429268313	/nfs/dbraw/zinc/26/83/13/429268313.db2.gz	VJPLMOYDHXZDCZ-BARDWOONSA-N	0	3	307.438	2.914	20	30		DFEDHN
C=CCNC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1	ZINC000490097316	429279204	/nfs/dbraw/zinc/27/92/04/429279204.db2.gz	NRHVDWPMTJXSOI-UHFFFAOYSA-N	0	3	316.405	2.594	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000448777031	429318011	/nfs/dbraw/zinc/31/80/11/429318011.db2.gz	ZTFHSADXBDBKPL-GOEBONIOSA-N	0	3	322.412	2.760	20	30		DFEDHN
CC[C@@H](C)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000456526840	429318464	/nfs/dbraw/zinc/31/84/64/429318464.db2.gz	IRWUPLGIRFAYNY-AEFFLSMTSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000448831376	429319231	/nfs/dbraw/zinc/31/92/31/429319231.db2.gz	QRJNZONORHYZRQ-KEYYUXOJSA-N	0	3	317.458	2.626	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c1Cl	ZINC000365477961	429326259	/nfs/dbraw/zinc/32/62/59/429326259.db2.gz	PFXFMVFJVIKLIP-BLLLJJGKSA-N	0	3	324.783	2.778	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc(C)cc(Cl)c2)CC1	ZINC000491179006	429330300	/nfs/dbraw/zinc/33/03/00/429330300.db2.gz	CVRKMUFBGRJELS-UHFFFAOYSA-N	0	3	304.821	2.610	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl	ZINC000491265934	429341152	/nfs/dbraw/zinc/34/11/52/429341152.db2.gz	NGBVXZNMOVHYGA-GJZGRUSLSA-N	0	3	304.821	2.515	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@]2(F)c2ccccc2)CC1	ZINC000425448907	429299787	/nfs/dbraw/zinc/29/97/87/429299787.db2.gz	IZPCCNIIMRUSGP-WMZOPIPTSA-N	0	3	317.408	2.573	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1	ZINC000496016857	429303644	/nfs/dbraw/zinc/30/36/44/429303644.db2.gz	UYEPHRIYMMAEHX-MRXNPFEDSA-N	0	3	316.401	2.526	20	30		DFEDHN
C=CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000447960014	429309320	/nfs/dbraw/zinc/30/93/20/429309320.db2.gz	VKNSHHMAXFGZQC-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000448393281	429312080	/nfs/dbraw/zinc/31/20/80/429312080.db2.gz	YLEIZUPRSCORIP-KRWDZBQOSA-N	0	3	316.449	2.511	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000448777030	429317706	/nfs/dbraw/zinc/31/77/06/429317706.db2.gz	ZTFHSADXBDBKPL-GDBMZVCRSA-N	0	3	322.412	2.760	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000448772960	429317889	/nfs/dbraw/zinc/31/78/89/429317889.db2.gz	FQZZDHYNRWVGDQ-DDBAPUKQSA-N	0	3	314.429	2.529	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1	ZINC000491704454	429394730	/nfs/dbraw/zinc/39/47/30/429394730.db2.gz	HNPPLHGRTQSMNG-HOTGVXAUSA-N	0	3	304.821	2.515	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000457088499	429397438	/nfs/dbraw/zinc/39/74/38/429397438.db2.gz	KNLLTXPLGQQWOL-QGZVFWFLSA-N	0	3	311.429	2.531	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000491730820	429399148	/nfs/dbraw/zinc/39/91/48/429399148.db2.gz	IACBRHSRUPISTD-SJLPKXTDSA-N	0	3	313.445	2.795	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000491739827	429400845	/nfs/dbraw/zinc/40/08/45/429400845.db2.gz	UGUXLWPJNDBMOX-CABCVRRESA-N	0	3	301.434	2.779	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(SC2CC2)cc1	ZINC000491744891	429402546	/nfs/dbraw/zinc/40/25/46/429402546.db2.gz	ZVGGHGMCXAIDAP-UHFFFAOYSA-N	0	3	302.443	2.626	20	30		DFEDHN
C#CCN1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000491773288	429406034	/nfs/dbraw/zinc/40/60/34/429406034.db2.gz	RJUUEUNGPOHMPS-MSOLQXFVSA-N	0	3	312.413	2.647	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl	ZINC000491396431	429356685	/nfs/dbraw/zinc/35/66/85/429356685.db2.gz	YDEZPYPMSYTGPN-STQMWFEESA-N	0	3	322.811	2.654	20	30		DFEDHN
COc1ccc(CN2CC[C@H](CO)[C@H]2C)cc1OCCCC#N	ZINC000426005238	429359326	/nfs/dbraw/zinc/35/93/26/429359326.db2.gz	XOVLLOQXGVHMQN-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
C[C@@H](Cc1ccoc1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000449230545	429362893	/nfs/dbraw/zinc/36/28/93/429362893.db2.gz	KYMKTRHJMJRBTA-KSSFIOAISA-N	0	3	323.396	2.867	20	30		DFEDHN
CO[C@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000514911406	429373523	/nfs/dbraw/zinc/37/35/23/429373523.db2.gz	OFOIZPZWSFEDGV-HOTGVXAUSA-N	0	3	310.401	2.595	20	30		DFEDHN
C[C@H](Cc1ccccc1)CN1CCN(c2cnccc2C#N)CC1	ZINC000515336370	429376412	/nfs/dbraw/zinc/37/64/12/429376412.db2.gz	ASXCODXFYSGWGP-QGZVFWFLSA-N	0	3	320.440	2.954	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000515817451	429378959	/nfs/dbraw/zinc/37/89/59/429378959.db2.gz	TZQYCEAQCGXJJY-IUODEOHRSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCCCCCN1CCCN(C(=O)c2ccccn2)CC1	ZINC000365819737	429379992	/nfs/dbraw/zinc/37/99/92/429379992.db2.gz	KAQQAYWURPCUTO-UHFFFAOYSA-N	0	3	301.434	2.976	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)NCC(C)(C)CC#N	ZINC000516732754	429382565	/nfs/dbraw/zinc/38/25/65/429382565.db2.gz	IJUSQYZSCBAGJQ-UHFFFAOYSA-N	0	3	318.421	2.818	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC(c2ccccc2)CC1	ZINC000491639627	429382730	/nfs/dbraw/zinc/38/27/30/429382730.db2.gz	ZRUKRKFJCQFHJE-UHFFFAOYSA-N	0	3	313.445	2.531	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CNCC2(CC#N)CC2)c1C	ZINC000516862440	429382819	/nfs/dbraw/zinc/38/28/19/429382819.db2.gz	BVJINFRIXZIEOS-MRXNPFEDSA-N	0	3	302.418	2.635	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000491647462	429385267	/nfs/dbraw/zinc/38/52/67/429385267.db2.gz	XNGGFSIALOWUPK-MRXNPFEDSA-N	0	3	313.445	2.836	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc3c2ccnc3OC)CC1	ZINC000491661078	429386995	/nfs/dbraw/zinc/38/69/95/429386995.db2.gz	AMVUFMWOWYNRMY-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1	ZINC000457323609	429445786	/nfs/dbraw/zinc/44/57/86/429445786.db2.gz	HUSNNDJXZCHQAS-JOYOIKCWSA-N	0	3	308.179	2.667	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cnn(Cc2ccc(F)cc2)c1	ZINC000449546791	429447927	/nfs/dbraw/zinc/44/79/27/429447927.db2.gz	DVOLDODHOKTXKB-MSOLQXFVSA-N	0	3	315.392	2.894	20	30		DFEDHN
Cc1cc(C(=O)NCCCN(C)Cc2ccccc2)ncc1C#N	ZINC000457383066	429453336	/nfs/dbraw/zinc/45/33/36/429453336.db2.gz	FDGYDIWHBVAFSF-UHFFFAOYSA-N	0	3	322.412	2.514	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000491804818	429412153	/nfs/dbraw/zinc/41/21/53/429412153.db2.gz	MQTYWGKGRXHXFG-KRWDZBQOSA-N	0	3	313.445	2.670	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CO)[C@@H]2CC)cc1OC	ZINC000449430666	429416144	/nfs/dbraw/zinc/41/61/44/429416144.db2.gz	WIAGRVOHUUFJPR-CVEARBPZSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](CO)[C@@H]2CC)cc1OC	ZINC000449430667	429417030	/nfs/dbraw/zinc/41/70/30/429417030.db2.gz	WIAGRVOHUUFJPR-HOTGVXAUSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1cscn1)C(C)C	ZINC000491840904	429419674	/nfs/dbraw/zinc/41/96/74/429419674.db2.gz	CPJCFABJXVSUTJ-KXPUMZMLSA-N	0	3	319.474	2.971	20	30		DFEDHN
CC(C)N(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCOC1	ZINC000428484846	429529287	/nfs/dbraw/zinc/52/92/87/429529287.db2.gz	RAZXYDHAIBLPPC-IAGOWNOFSA-N	0	3	300.402	2.785	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)c(OC)cc1F	ZINC000519657115	429475241	/nfs/dbraw/zinc/47/52/41/429475241.db2.gz	UFVNAKQZBGEGKD-PXAZEXFGSA-N	0	3	309.381	2.914	20	30		DFEDHN
Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ncc1C#N	ZINC000457560345	429488288	/nfs/dbraw/zinc/48/82/88/429488288.db2.gz	QDHIWTSHOGILAY-HNNXBMFYSA-N	0	3	322.412	2.512	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000457583778	429491168	/nfs/dbraw/zinc/49/11/68/429491168.db2.gz	SJARDOZKBNSDEV-ROUUACIJSA-N	0	3	320.477	2.835	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC2(CC#N)CC2)c2ccc(F)cc2C1	ZINC000366795025	429516704	/nfs/dbraw/zinc/51/67/04/429516704.db2.gz	ALXCPOAUWQTKGN-KRWDZBQOSA-N	0	3	315.392	2.902	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2c1	ZINC000366957665	429547519	/nfs/dbraw/zinc/54/75/19/429547519.db2.gz	DXFGBVLMNQEUTN-KSZLIROESA-N	0	3	324.428	2.721	20	30		DFEDHN
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(C#N)c2)C1	ZINC000428773364	429552750	/nfs/dbraw/zinc/55/27/50/429552750.db2.gz	QLLAYZCOUFKFSR-FQEVSTJZSA-N	0	3	320.392	2.875	20	30		DFEDHN
C[C@@H]1[C@H](NCc2cccc(C#N)c2)CC(=O)N1Cc1ccccc1	ZINC000366997873	429553974	/nfs/dbraw/zinc/55/39/74/429553974.db2.gz	OLOAGXIQFNYHLY-DNVCBOLYSA-N	0	3	319.408	2.837	20	30		DFEDHN
COCc1nccc([C@@H]2CCCN(CCC(C)(C)C#N)C2)n1	ZINC000367006505	429556716	/nfs/dbraw/zinc/55/67/16/429556716.db2.gz	DJCISTSVASJYQR-CQSZACIVSA-N	0	3	302.422	2.742	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1C	ZINC000458003200	429563509	/nfs/dbraw/zinc/56/35/09/429563509.db2.gz	IKSSAWAOZINPMV-KRWDZBQOSA-N	0	3	318.380	2.569	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000450130755	429570385	/nfs/dbraw/zinc/57/03/85/429570385.db2.gz	WIKYDLZTBOBSFU-QGZVFWFLSA-N	0	3	322.412	2.541	20	30		DFEDHN
COc1cc(CNC[C@H]2OCCc3ccccc32)ccc1C#N	ZINC000367102088	429578596	/nfs/dbraw/zinc/57/85/96/429578596.db2.gz	UXWYJCSZZPGNII-LJQANCHMSA-N	0	3	308.381	2.970	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[C@@H](CO)C1	ZINC000492631888	429583154	/nfs/dbraw/zinc/58/31/54/429583154.db2.gz	QNURIVGJHSCTDL-KSZLIROESA-N	0	3	314.429	2.674	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000457822453	429534134	/nfs/dbraw/zinc/53/41/34/429534134.db2.gz	JDMDPNLRAKYWDT-YOEHRIQHSA-N	0	3	314.433	2.743	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000457822451	429534972	/nfs/dbraw/zinc/53/49/72/429534972.db2.gz	JDMDPNLRAKYWDT-WMLDXEAASA-N	0	3	314.433	2.743	20	30		DFEDHN
COc1cc(CN[C@H]2COc3c(cccc3OC)C2)ccc1C#N	ZINC000366921095	429539613	/nfs/dbraw/zinc/53/96/13/429539613.db2.gz	JLZVPTWSKCTKDU-MRXNPFEDSA-N	0	3	324.380	2.669	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(OCCN(C)C)c(F)c1	ZINC000458294081	429615577	/nfs/dbraw/zinc/61/55/77/429615577.db2.gz	PRBJSUDWCMKQIA-UHFFFAOYSA-N	0	3	306.381	2.898	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1cc(C#N)ccn1	ZINC000367326050	429623397	/nfs/dbraw/zinc/62/33/97/429623397.db2.gz	HUDMSFBJSMDIPF-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000429716114	429626595	/nfs/dbraw/zinc/62/65/95/429626595.db2.gz	JVNSGOABBZRLPP-GVDBMIGSSA-N	0	3	309.498	2.510	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)N(C)C	ZINC000429880599	429637829	/nfs/dbraw/zinc/63/78/29/429637829.db2.gz	ADMWHRFCLUJJJO-SNVBAGLBSA-N	0	3	301.415	2.761	20	30		DFEDHN
C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C)C1CC1	ZINC000367389042	429638863	/nfs/dbraw/zinc/63/88/63/429638863.db2.gz	FTLYESCUQSAILS-ZWKOTPCHSA-N	0	3	313.445	2.964	20	30		DFEDHN
C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C)C1CC1	ZINC000367389041	429639470	/nfs/dbraw/zinc/63/94/70/429639470.db2.gz	FTLYESCUQSAILS-ROUUACIJSA-N	0	3	313.445	2.964	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1cccc(C#N)c1[N+](=O)[O-]	ZINC000450526283	429641800	/nfs/dbraw/zinc/64/18/00/429641800.db2.gz	UOGHRMGSTQPGFM-GXTWGEPZSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC[C@H](c2ccnc(N)n2)C1	ZINC000367213485	429597214	/nfs/dbraw/zinc/59/72/14/429597214.db2.gz	NZQLMZVGXBLOKB-AWEZNQCLSA-N	0	3	301.438	2.958	20	30		DFEDHN
COc1ccc(O)c(CN2CCC(C#N)(c3ccccn3)CC2)c1	ZINC000367242945	429603527	/nfs/dbraw/zinc/60/35/27/429603527.db2.gz	FYBXKIZNADVEIX-UHFFFAOYSA-N	0	3	323.396	2.853	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2nccc(C#N)n2)CC1	ZINC000450338795	429603827	/nfs/dbraw/zinc/60/38/27/429603827.db2.gz	MJMIIIYIAQINIK-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c(F)c1	ZINC000525948703	429689484	/nfs/dbraw/zinc/68/94/84/429689484.db2.gz	WSRSWXTXHCIDQU-UHFFFAOYSA-N	0	3	321.787	2.721	20	30		DFEDHN
CCN1CC[C@H]2OCCN(Cc3ccc(Cl)cc3C#N)[C@H]2C1	ZINC000293275680	276236017	/nfs/dbraw/zinc/23/60/17/276236017.db2.gz	NSXFLVWWTMWREU-DLBZAZTESA-N	0	3	319.836	2.507	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000367614234	429685404	/nfs/dbraw/zinc/68/54/04/429685404.db2.gz	FXZJIZHIXOOGJD-DUVNUKRYSA-N	0	3	305.447	2.797	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ccnc(C#N)c2)CC1	ZINC000367645241	429692018	/nfs/dbraw/zinc/69/20/18/429692018.db2.gz	PTHGFXIEKNELBV-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000450762460	429694423	/nfs/dbraw/zinc/69/44/23/429694423.db2.gz	PQABTSJQXVEWRB-LJHODMEESA-N	0	3	311.429	2.563	20	30		DFEDHN
C[C@H](CN(C)CCOc1ccccc1C#N)C(=O)OC(C)(C)C	ZINC000459803579	429702298	/nfs/dbraw/zinc/70/22/98/429702298.db2.gz	JWNVMGCLXAUFHL-CQSZACIVSA-N	0	3	318.417	2.847	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccn(C)n1	ZINC000459762633	429702311	/nfs/dbraw/zinc/70/23/11/429702311.db2.gz	UBCMFEWFRNXZLN-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@@H]3CCCC[C@@H]3C)CC2)c1C#N	ZINC000471809571	429712433	/nfs/dbraw/zinc/71/24/33/429712433.db2.gz	IKLSXBUCYGKRSF-HOCLYGCPSA-N	0	3	315.465	2.549	20	30		DFEDHN
C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000450876696	429718487	/nfs/dbraw/zinc/71/84/87/429718487.db2.gz	JWNKCFOMZRUUQH-HOTGVXAUSA-N	0	3	301.434	2.745	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCN(C(C)(C)CC(C)(C)C)CC2)n1	ZINC000450877723	429719103	/nfs/dbraw/zinc/71/91/03/429719103.db2.gz	HSDAHMBJHYQYKT-UHFFFAOYSA-N	0	3	315.465	2.994	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2cnc(C#N)cn2)CC1	ZINC000450882274	429720168	/nfs/dbraw/zinc/72/01/68/429720168.db2.gz	SZGSMUMTRYLZIO-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@H]1NCC(=O)NC1(C#N)CCC1	ZINC000527128014	429726559	/nfs/dbraw/zinc/72/65/59/429726559.db2.gz	SAKOXTUVVAJRGJ-QGZVFWFLSA-N	0	3	311.429	2.852	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000483259772	429732829	/nfs/dbraw/zinc/73/28/29/429732829.db2.gz	NNSLBTINPMOHDN-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)c2ncc(Br)cc2C#N)C1	ZINC000450958730	429737611	/nfs/dbraw/zinc/73/76/11/429737611.db2.gz	WQYSMPSFHMTFDT-ZDUSSCGKSA-N	0	3	323.238	2.635	20	30		DFEDHN
CC(C)(CCC#N)CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21	ZINC000367904645	429739628	/nfs/dbraw/zinc/73/96/28/429739628.db2.gz	QIJFVQRSQDIGNK-AWEZNQCLSA-N	0	3	324.421	2.964	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccccc2)[C@H]1C	ZINC000527297564	429740609	/nfs/dbraw/zinc/74/06/09/429740609.db2.gz	ILMCYICNTNMJFH-BFYDXBDKSA-N	0	3	311.429	2.815	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]2CNCc2ccc(C#N)o2)cc1	ZINC000527775786	429797316	/nfs/dbraw/zinc/79/73/16/429797316.db2.gz	UPTPVRFLMXGFBQ-OAHLLOKOSA-N	0	3	311.385	2.524	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000451272182	429801529	/nfs/dbraw/zinc/80/15/29/429801529.db2.gz	UMQRYNMKTNZNFC-KDOFPFPSSA-N	0	3	324.428	2.924	20	30		DFEDHN
COC[C@@]1(NCc2cccc(C#N)c2)COc2ccccc2C1	ZINC000527802424	429803116	/nfs/dbraw/zinc/80/31/16/429803116.db2.gz	WMUDMMGNOXPVEW-LJQANCHMSA-N	0	3	308.381	2.668	20	30		DFEDHN
N#CC1(NC(=O)CN2CCCC3(C2)CCCCCC3)CCC1	ZINC000527377481	429748291	/nfs/dbraw/zinc/74/82/91/429748291.db2.gz	XFOFGFWAXRKPMI-UHFFFAOYSA-N	0	3	303.450	2.985	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)C1=O	ZINC000451151589	429776110	/nfs/dbraw/zinc/77/61/10/429776110.db2.gz	ZGCOYPJWYVCPBO-LOWDOPEQSA-N	0	3	304.356	2.825	20	30		DFEDHN
C[C@@]1(CNCc2cc(C#N)cs2)COc2ccccc2O1	ZINC000527734550	429789699	/nfs/dbraw/zinc/78/96/99/429789699.db2.gz	KGOCAENNOQUWNP-MRXNPFEDSA-N	0	3	300.383	2.939	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)n2c1	ZINC000368131203	429794766	/nfs/dbraw/zinc/79/47/66/429794766.db2.gz	KGUINSLGDMYBTI-QXAKKESOSA-N	0	3	300.365	2.634	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CC#N)[C@@H]1c1cccc(Cl)c1	ZINC000368382493	429839752	/nfs/dbraw/zinc/83/97/52/429839752.db2.gz	JCXVPUZRAIILPJ-BBRMVZONSA-N	0	3	305.809	2.753	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(CC)cccc1CC	ZINC000451601273	429860271	/nfs/dbraw/zinc/86/02/71/429860271.db2.gz	UXVRPBHGHINAPC-CVEARBPZSA-N	0	3	302.418	2.683	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](CCC)c1ccccc1	ZINC000451600157	429860981	/nfs/dbraw/zinc/86/09/81/429860981.db2.gz	QDQCKVXEQJTBBR-ZACQAIPSSA-N	0	3	302.418	2.577	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000368531616	429863062	/nfs/dbraw/zinc/86/30/62/429863062.db2.gz	WEGLQXPBSXNXIS-KZNAEPCWSA-N	0	3	322.493	2.817	20	30		DFEDHN
Cc1ccc(C#N)c(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1	ZINC000368549572	429865411	/nfs/dbraw/zinc/86/54/11/429865411.db2.gz	CTPOGLHTFCSYSO-IRXDYDNUSA-N	0	3	307.401	2.762	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](Cc2ccncc2)C1	ZINC000368628013	429880024	/nfs/dbraw/zinc/88/00/24/429880024.db2.gz	ZBKVJGKIIRHNPE-FUHWJXTLSA-N	0	3	313.445	2.535	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](Cc2ccncc2)C1	ZINC000368652333	429883072	/nfs/dbraw/zinc/88/30/72/429883072.db2.gz	ZEYLOGANBGAHFC-AEFFLSMTSA-N	0	3	315.461	2.759	20	30		DFEDHN
COCc1ccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)o1	ZINC000528452894	429890286	/nfs/dbraw/zinc/89/02/86/429890286.db2.gz	NKJNDUNRYSNKAB-ZFWWWQNUSA-N	0	3	304.390	2.618	20	30		DFEDHN
COc1ccc2c(c1)C1(CC1)CN(C[C@@H](O)CC1(C#N)CC1)C2	ZINC000528511842	429894918	/nfs/dbraw/zinc/89/49/18/429894918.db2.gz	YTYBBOFMJIWVAK-HNNXBMFYSA-N	0	3	312.413	2.597	20	30		DFEDHN
Cc1csc(NC(=O)[C@@H]2CCCN(CCCCC#N)C2)n1	ZINC000368879551	429899738	/nfs/dbraw/zinc/89/97/38/429899738.db2.gz	YZCXWWJHZIMCCS-CYBMUJFWSA-N	0	3	306.435	2.796	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@@H](c3cn(C)c4ccccc34)C2)C1=O	ZINC000369058668	429909502	/nfs/dbraw/zinc/90/95/02/429909502.db2.gz	YQGFINIFCFLLFX-DNVCBOLYSA-N	0	3	323.440	2.755	20	30		DFEDHN
Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1C#N	ZINC000369106651	429912784	/nfs/dbraw/zinc/91/27/84/429912784.db2.gz	KOIMDRXTYYZCFO-UHFFFAOYSA-N	0	3	311.429	2.957	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(C#N)c1C	ZINC000528770806	429914895	/nfs/dbraw/zinc/91/48/95/429914895.db2.gz	ZQZCLQZSIJWQAZ-APKCBFJXSA-N	0	3	321.446	2.577	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](C)C[C@H]2c2ccc(OC)cc2)C1=O	ZINC000369201447	429919376	/nfs/dbraw/zinc/91/93/76/429919376.db2.gz	AHTUXXZUTFCZMV-WBAXXEDZSA-N	0	3	314.429	2.865	20	30		DFEDHN
N#Cc1csc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1	ZINC000557027611	429926140	/nfs/dbraw/zinc/92/61/40/429926140.db2.gz	PYYVTAARSLQZQD-ZDUSSCGKSA-N	0	3	313.430	2.995	20	30		DFEDHN
N#Cc1csc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1	ZINC000557027611	429926143	/nfs/dbraw/zinc/92/61/43/429926143.db2.gz	PYYVTAARSLQZQD-ZDUSSCGKSA-N	0	3	313.430	2.995	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000451696995	429872907	/nfs/dbraw/zinc/87/29/07/429872907.db2.gz	BRAQTYPFIXAFKF-UXPWSPDFSA-N	0	3	323.440	2.661	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1	ZINC000451701767	429874721	/nfs/dbraw/zinc/87/47/21/429874721.db2.gz	RGKJOIWBHIQDHV-HLLBOEOZSA-N	0	3	300.402	2.550	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CC2)cc1	ZINC000528343922	429875971	/nfs/dbraw/zinc/87/59/71/429875971.db2.gz	ABSAGXTYMNEQTN-DOTOQJQBSA-N	0	3	300.402	2.887	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CC2)cc1	ZINC000528343929	429876473	/nfs/dbraw/zinc/87/64/73/429876473.db2.gz	ABSAGXTYMNEQTN-WBVHZDCISA-N	0	3	300.402	2.887	20	30		DFEDHN
CN(CCCc1ccccc1)Cc1cnc2c(C#N)cnn2c1	ZINC000573491570	429956225	/nfs/dbraw/zinc/95/62/25/429956225.db2.gz	QNUPQULZPJHEHZ-UHFFFAOYSA-N	0	3	305.385	2.666	20	30		DFEDHN
Cc1csc(NC(=O)N[C@@H](C)CN2CCCCC2)c1C#N	ZINC000573784307	429981382	/nfs/dbraw/zinc/98/13/82/429981382.db2.gz	LEDDHVMHWSSLGS-LBPRGKRZSA-N	0	3	306.435	2.924	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1	ZINC000528917630	429933639	/nfs/dbraw/zinc/93/36/39/429933639.db2.gz	GLPKTPYKNNLVSL-RDUHTLEXSA-N	0	3	314.385	2.702	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2c1cccc2Cl	ZINC000528922925	429935492	/nfs/dbraw/zinc/93/54/92/429935492.db2.gz	CRJFKKSERTYLNN-KGLIPLIRSA-N	0	3	316.788	2.747	20	30		DFEDHN
C=CCNC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1	ZINC000573247998	429936310	/nfs/dbraw/zinc/93/63/10/429936310.db2.gz	XXZGKEGHOLIIIL-INIZCTEOSA-N	0	3	304.459	2.686	20	30		DFEDHN
N#Cc1ncn(C2CCN([C@H]3CCc4ccc(F)cc43)CC2)n1	ZINC000369389569	429937330	/nfs/dbraw/zinc/93/73/30/429937330.db2.gz	QCWTWERVODRYQU-INIZCTEOSA-N	0	3	311.364	2.613	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1	ZINC000529000098	429948830	/nfs/dbraw/zinc/94/88/30/429948830.db2.gz	PWMDHARKHYZMTJ-QMZWZUABSA-N	0	3	309.369	2.866	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H]2[C@H]2CCCN2C)c1C#N	ZINC000369461334	429949489	/nfs/dbraw/zinc/94/94/89/429949489.db2.gz	BCIPGHUIJDFCGK-CABCVRRESA-N	0	3	304.825	2.978	20	30		DFEDHN
CC(C)C(CN1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C	ZINC000560261288	430028601	/nfs/dbraw/zinc/02/86/01/430028601.db2.gz	LMFCQBSIFDQBMU-HNNXBMFYSA-N	0	3	315.465	2.787	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC(=O)NC23CCC3)c(Cl)c1	ZINC000558894206	429993631	/nfs/dbraw/zinc/99/36/31/429993631.db2.gz	ASFLBDBFPPLVCO-CQSZACIVSA-N	0	3	303.793	2.503	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](CCO)c1ccc(Cl)c(F)c1	ZINC000639916532	430021221	/nfs/dbraw/zinc/02/12/21/430021221.db2.gz	NXLJVJRDCFQAGX-SWLSCSKDSA-N	0	3	301.789	2.819	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC12CCCC2	ZINC000574245063	430023735	/nfs/dbraw/zinc/02/37/35/430023735.db2.gz	MZNGGSBXUCOCFJ-KDOFPFPSSA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CNCC(C)(C)F)c(OC)c1	ZINC000634723123	430090327	/nfs/dbraw/zinc/09/03/27/430090327.db2.gz	AEZPDNSOMZLIPJ-AWEZNQCLSA-N	0	3	311.397	2.501	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC[C@@H](C#N)CCC#N)C1CC1	ZINC000577004793	430109696	/nfs/dbraw/zinc/10/96/96/430109696.db2.gz	LWLZMLVSKMJOIN-MJGOQNOKSA-N	0	3	310.445	2.930	20	30		DFEDHN
N#CCc1ccnc(NC(=O)CCN2CCc3ccccc3C2)c1	ZINC000574622092	430050714	/nfs/dbraw/zinc/05/07/14/430050714.db2.gz	UPYJIKLQKLCYFI-UHFFFAOYSA-N	0	3	320.396	2.535	20	30		DFEDHN
CCn1c2ccc(Cl)cc2nc1NC(=O)[C@H](N)CCCC#N	ZINC000574809858	430052211	/nfs/dbraw/zinc/05/22/11/430052211.db2.gz	VWYGWNDBBFBFJP-LLVKDONJSA-N	0	3	319.796	2.669	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CCNC(C)=O)C2)cc1	ZINC000574677767	430052462	/nfs/dbraw/zinc/05/24/62/430052462.db2.gz	JZGBILIZZISKQK-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(F)c(Br)cc1F	ZINC000529878451	430081068	/nfs/dbraw/zinc/08/10/68/430081068.db2.gz	WLYSUHJVPBZRAQ-ZCFIWIBFSA-N	0	3	303.106	2.503	20	30		DFEDHN
CN(C)[C@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1	ZINC000561264942	430084777	/nfs/dbraw/zinc/08/47/77/430084777.db2.gz	FMFPVVIEKQVCJD-MRXNPFEDSA-N	0	3	300.793	2.743	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)Cc1cccc(C#N)c1	ZINC000561265330	430084785	/nfs/dbraw/zinc/08/47/85/430084785.db2.gz	GOSYGDGHXPBRGA-UHFFFAOYSA-N	0	3	313.445	2.825	20	30		DFEDHN
COc1ccc([C@H](CCC#N)NCCOC[C@@H]2CCCO2)cc1	ZINC000562593668	430152014	/nfs/dbraw/zinc/15/20/14/430152014.db2.gz	UOTZIEYNSAVUAJ-ROUUACIJSA-N	0	3	318.417	2.825	20	30		DFEDHN
CC(C)OC1CCN(CCC(=O)Nc2ccccc2C#N)CC1	ZINC000533016922	430157054	/nfs/dbraw/zinc/15/70/54/430157054.db2.gz	ZAUAJXSYMNRFEI-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCNC(=O)Nc1ccc(NC(=O)[C@H](N)CCC(C)C)cc1	ZINC000637903859	430167008	/nfs/dbraw/zinc/16/70/08/430167008.db2.gz	SKVLGCVUQCMKQY-OAHLLOKOSA-N	0	3	318.421	2.696	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@]1(C)CCCc2ccccc21)C1CC1	ZINC000538707668	430175450	/nfs/dbraw/zinc/17/54/50/430175450.db2.gz	QSVFHHBBXPQVFZ-RTBURBONSA-N	0	3	311.429	2.636	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000562503537	430138579	/nfs/dbraw/zinc/13/85/79/430138579.db2.gz	JAVINODDHOZYSH-INIZCTEOSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1	ZINC000634980591	430182171	/nfs/dbraw/zinc/18/21/71/430182171.db2.gz	HYYAUKOQGATIJO-GOSISDBHSA-N	0	3	316.445	2.516	20	30		DFEDHN
CCC(=O)N1CC[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000581226234	430187471	/nfs/dbraw/zinc/18/74/71/430187471.db2.gz	YJZGQWNLIMISSK-AEFFLSMTSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H](O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000541890696	430194460	/nfs/dbraw/zinc/19/44/60/430194460.db2.gz	ZZOBLQFPODBVFN-RHSMWYFYSA-N	0	3	324.428	2.552	20	30		DFEDHN
CCN(CC)[C@H](CNc1ccc(C#N)c(N)n1)c1ccsc1	ZINC000563898860	430192859	/nfs/dbraw/zinc/19/28/59/430192859.db2.gz	SJXCMJGKSNOGQU-CQSZACIVSA-N	0	3	315.446	3.092	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H](NCc1ccc(C#N)cc1)C1CC1	ZINC000153835645	277200491	/nfs/dbraw/zinc/20/04/91/277200491.db2.gz	XQSPTDUAUSLQSF-INIZCTEOSA-N	0	3	315.417	2.951	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN2CCC(CCC#N)CC2)cc1	ZINC000566174571	430247544	/nfs/dbraw/zinc/24/75/44/430247544.db2.gz	UGLMKCILESBIRM-QGZVFWFLSA-N	0	3	302.418	2.751	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN1CC[C@H](C)C1	ZINC000566456747	430262463	/nfs/dbraw/zinc/26/24/63/430262463.db2.gz	WFCGLYRCCFUHPK-INIZCTEOSA-N	0	3	318.465	2.711	20	30		DFEDHN
Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1ccc(C#N)cc1	ZINC000543840700	430265867	/nfs/dbraw/zinc/26/58/67/430265867.db2.gz	XWKLLIXJWWUPJX-GOSISDBHSA-N	0	3	323.396	2.519	20	30		DFEDHN
CN(C)CCOCCNc1c(C#N)cnc2c(Cl)cccc21	ZINC000565830768	430229536	/nfs/dbraw/zinc/22/95/36/430229536.db2.gz	UTCVFMBHELBTPI-UHFFFAOYSA-N	0	3	318.808	2.750	20	30		DFEDHN
CC(C)[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Cl	ZINC000567377874	430284194	/nfs/dbraw/zinc/28/41/94/430284194.db2.gz	GUVMNQGFUVOXHU-PBHICJAKSA-N	0	3	323.868	2.833	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000544675225	430290029	/nfs/dbraw/zinc/29/00/29/430290029.db2.gz	FDEXYPMDYBFCLM-UHFFFAOYSA-N	0	3	307.825	2.871	20	30		DFEDHN
C[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1Cl	ZINC000568047303	430308286	/nfs/dbraw/zinc/30/82/86/430308286.db2.gz	KGUYQAZOQFLFNA-WCQYABFASA-N	0	3	317.820	2.873	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3C[C@H](c4ccccc4F)C3)cnc12	ZINC000568395186	430354448	/nfs/dbraw/zinc/35/44/48/430354448.db2.gz	YXGCPNWMRBNUDA-CTYIDZIISA-N	0	3	321.359	2.776	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@H](c4ccccc4)C3)cnc12	ZINC000569244859	430434674	/nfs/dbraw/zinc/43/46/74/430434674.db2.gz	ANTOVOJMHOAKBD-KRWDZBQOSA-N	0	3	317.396	2.981	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(OC)ccc1OC(F)F	ZINC000641759146	430463678	/nfs/dbraw/zinc/46/36/78/430463678.db2.gz	BHHOZHBBJDAHKD-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(Br)c(Cl)c1	ZINC000641768262	430466897	/nfs/dbraw/zinc/46/68/97/430466897.db2.gz	YQROZEVQSOCAKW-NSHDSACASA-N	0	3	316.626	2.966	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(Cl)c(Br)c1	ZINC000641768108	430467444	/nfs/dbraw/zinc/46/74/44/430467444.db2.gz	WLMRJKQJWWQPTE-LLVKDONJSA-N	0	3	316.626	2.966	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2cccc(C#N)c2)[C@@H]2CCC[C@H]21	ZINC000569855958	430491130	/nfs/dbraw/zinc/49/11/30/430491130.db2.gz	CVNCEMLNJJZYNR-IAGOWNOFSA-N	0	3	311.429	2.685	20	30		DFEDHN
N#Cc1nc(N[C@@H]2CCN(C3CCCCC3)C2)sc1Cl	ZINC000596477553	430516014	/nfs/dbraw/zinc/51/60/14/430516014.db2.gz	BAZOEMUGCGGUCN-SNVBAGLBSA-N	0	3	310.854	3.487	20	30		DFEDHN
CCc1ccc(CN(C)C[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000599259726	430529935	/nfs/dbraw/zinc/52/99/35/430529935.db2.gz	VCPHHVDONMGEHH-GOSISDBHSA-N	0	3	316.445	2.752	20	30		DFEDHN
CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(F)c1C#N	ZINC000570306732	430531795	/nfs/dbraw/zinc/53/17/95/430531795.db2.gz	SUCZMTMIHZRUPK-CYBMUJFWSA-N	0	3	303.381	2.644	20	30		DFEDHN
N#CCC1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1	ZINC000570594008	430557752	/nfs/dbraw/zinc/55/77/52/430557752.db2.gz	SENHWIRLSLHBQS-QGZVFWFLSA-N	0	3	303.450	2.936	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000572143931	430673723	/nfs/dbraw/zinc/67/37/23/430673723.db2.gz	FATMTCXELDTWAR-ZDUSSCGKSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000572158553	430674840	/nfs/dbraw/zinc/67/48/40/430674840.db2.gz	YWOXMGNACAGXSE-SFHVURJKSA-N	0	3	320.396	2.957	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000556268189	430681841	/nfs/dbraw/zinc/68/18/41/430681841.db2.gz	ASNHPSSDDGIOMW-VIBAHUMZSA-N	0	3	310.401	2.824	20	30		DFEDHN
COc1ccccc1OC[C@@H](C)CNC[C@@H](C#N)CCC#N	ZINC000572386292	430685456	/nfs/dbraw/zinc/68/54/56/430685456.db2.gz	CGRXSVGRCHQQEE-LSDHHAIUSA-N	0	3	301.390	2.743	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2OCCCO3)nc(C)n1	ZINC000651262916	430752536	/nfs/dbraw/zinc/75/25/36/430752536.db2.gz	OIVWSYICZWDKLD-AWEZNQCLSA-N	0	3	323.352	2.745	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc3n2[C@H](C)CCC3)CC1	ZINC000651273462	430754944	/nfs/dbraw/zinc/75/49/44/430754944.db2.gz	NOKQXZMLQRTPKH-CQSZACIVSA-N	0	3	316.449	2.551	20	30		DFEDHN
O[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2	ZINC000661832293	430857354	/nfs/dbraw/zinc/85/73/54/430857354.db2.gz	AFTBDPGTUMZMIC-GJZGRUSLSA-N	0	3	309.331	2.950	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H](C)n2ccnc2CC)CC1	ZINC000648773399	430886658	/nfs/dbraw/zinc/88/66/58/430886658.db2.gz	HNYMCYFOIMOLPF-OAHLLOKOSA-N	0	3	318.465	2.553	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(CCC)C1	ZINC000661952272	430900522	/nfs/dbraw/zinc/90/05/22/430900522.db2.gz	AYZCSEKOEBTSLN-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659042333	430949236	/nfs/dbraw/zinc/94/92/36/430949236.db2.gz	KRFCLMXSZOYVDX-HOCLYGCPSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN1CCC(OC)CC1	ZINC000665391782	430918463	/nfs/dbraw/zinc/91/84/63/430918463.db2.gz	KHNJANXPMYONLE-DOTOQJQBSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@@]2(O)CCOC2)cc1Cl	ZINC000651942843	430920627	/nfs/dbraw/zinc/92/06/27/430920627.db2.gz	VKCKEAUCONXPDX-MRXNPFEDSA-N	0	3	311.809	2.536	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@]2(O)CCOC2)cc1Cl	ZINC000651942842	430921370	/nfs/dbraw/zinc/92/13/70/430921370.db2.gz	VKCKEAUCONXPDX-INIZCTEOSA-N	0	3	311.809	2.536	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1	ZINC000652188978	430982923	/nfs/dbraw/zinc/98/29/23/430982923.db2.gz	ZETWCTDTLQUXHD-UONOGXRCSA-N	0	3	309.406	2.690	20	30		DFEDHN
C=C[C@H](CO)NCCOc1ccc(Cl)cc1Br	ZINC000662167436	430986686	/nfs/dbraw/zinc/98/66/86/430986686.db2.gz	FHQOGABGVZMDJO-SNVBAGLBSA-N	0	3	320.614	2.618	20	30		DFEDHN
N#CC(C(=O)c1cnc2n1CCC2)c1cc(C(F)(F)F)ccn1	ZINC000659114442	430951677	/nfs/dbraw/zinc/95/16/77/430951677.db2.gz	BFOQARPQXLPJJX-JTQLQIEISA-N	0	3	320.274	2.733	20	30		DFEDHN
C=CCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000665945465	431072845	/nfs/dbraw/zinc/07/28/45/431072845.db2.gz	FYFAFBYWBLWHLE-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cn(-c2ccccc2F)nc1C	ZINC000655791968	431143725	/nfs/dbraw/zinc/14/37/25/431143725.db2.gz	IDKYKNZKINSQDS-OAHLLOKOSA-N	0	3	303.381	2.737	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000655824263	431171645	/nfs/dbraw/zinc/17/16/45/431171645.db2.gz	HCRDDYVLOULXQR-YESZJQIVSA-N	0	3	318.461	2.839	20	30		DFEDHN
C=C(CC)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649750965	431273884	/nfs/dbraw/zinc/27/38/84/431273884.db2.gz	CAFBLSBCFCNSHJ-RBUKOAKNSA-N	0	3	300.446	2.928	20	30		DFEDHN
FC(F)(F)C(F)(F)COCCN1CC[C@]2(CC2(F)F)C1	ZINC000649908004	431366387	/nfs/dbraw/zinc/36/63/87/431366387.db2.gz	DVWHFKZPDXRUFZ-QMMMGPOBSA-N	0	3	309.225	2.932	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@@]12CCCO2	ZINC000273767227	279874388	/nfs/dbraw/zinc/87/43/88/279874388.db2.gz	YZWVWDMPVJKSAR-RUGDWHBFSA-N	0	3	300.402	2.935	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H]2CN2CCCC2)c1C#N	ZINC000275043275	280233947	/nfs/dbraw/zinc/23/39/47/280233947.db2.gz	MYAYDQYXIQYGFX-CYBMUJFWSA-N	0	3	304.825	2.980	20	30		DFEDHN
C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1	ZINC000657092577	431596836	/nfs/dbraw/zinc/59/68/36/431596836.db2.gz	BOCXIOCRKRHOJQ-HNNXBMFYSA-N	0	3	322.474	2.725	20	30		DFEDHN
C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000660798266	431603820	/nfs/dbraw/zinc/60/38/20/431603820.db2.gz	AXKSYHLHQIUVNG-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC)CC1	ZINC000660836607	431620325	/nfs/dbraw/zinc/62/03/25/431620325.db2.gz	CHUUDCITJFFKPO-RDJZCZTQSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000654307778	431734697	/nfs/dbraw/zinc/73/46/97/431734697.db2.gz	KCCLPVFVYXNQNC-DLBZAZTESA-N	0	3	314.429	2.998	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1	ZINC000654431538	431788754	/nfs/dbraw/zinc/78/87/54/431788754.db2.gz	PCTGSPMERJESKR-WKILWMFISA-N	0	3	323.481	2.672	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@@H]2CCCCO2)CC1	ZINC000654431327	431788968	/nfs/dbraw/zinc/78/89/68/431788968.db2.gz	FXESOSISEKZYHP-IRXDYDNUSA-N	0	3	323.481	2.674	20	30		DFEDHN
C=CCN(CCCn1c2ccccc2[nH]c1=O)[C@@H](C)COC	ZINC000661244768	431791795	/nfs/dbraw/zinc/79/17/95/431791795.db2.gz	YABPGYPPVSKCQI-AWEZNQCLSA-N	0	3	303.406	2.655	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)COC	ZINC000661244432	431793962	/nfs/dbraw/zinc/79/39/62/431793962.db2.gz	UGYUNQUDKGKWJW-AWEZNQCLSA-N	0	3	318.417	2.741	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccc(C)cc1C)[C@H](C)COC	ZINC000661245795	431795155	/nfs/dbraw/zinc/79/51/55/431795155.db2.gz	CZRHXRDNYIRZRM-IAGOWNOFSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1cc(C)ccc1C)[C@H](C)COC	ZINC000661248148	431795833	/nfs/dbraw/zinc/79/58/33/431795833.db2.gz	SFWCLYWOPAWFIP-IAGOWNOFSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCN(C[C@H](O)COc1c(C)cccc1C)[C@H](C)COC	ZINC000661247603	431795960	/nfs/dbraw/zinc/79/59/60/431795960.db2.gz	PJKYJUOKMAZTAW-SJORKVTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1cn(Cc2cccnc2)nn1	ZINC000657530076	431798199	/nfs/dbraw/zinc/79/81/99/431798199.db2.gz	MLRHVJNFBDEGBT-WMZOPIPTSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=CCCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000661267970	431804897	/nfs/dbraw/zinc/80/48/97/431804897.db2.gz	WHVBVHAHWVRIKJ-UHFFFAOYSA-N	0	3	301.434	2.916	20	30		DFEDHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CCN(C2CCC2)C1	ZINC000292401033	288263016	/nfs/dbraw/zinc/26/30/16/288263016.db2.gz	UYNVHZBTHQACTI-ZDUSSCGKSA-N	0	3	314.389	2.777	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@@H]2CCCCO2)CC1	ZINC000654431328	431787703	/nfs/dbraw/zinc/78/77/03/431787703.db2.gz	FXESOSISEKZYHP-SJORKVTESA-N	0	3	323.481	2.674	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N3CC[C@H](N4CC=CC4)C3)c2c1	ZINC000368300139	281164876	/nfs/dbraw/zinc/16/48/76/281164876.db2.gz	VIKIBYVUCCZFJO-INIZCTEOSA-N	0	3	304.397	2.865	20	30		DFEDHN
CC[C@H]1CN2CCC[C@@H]2CN1c1nc(C)c(C#N)cc1Cl	ZINC000360081548	281196199	/nfs/dbraw/zinc/19/61/99/281196199.db2.gz	GIRBTQOXSNDTIQ-UONOGXRCSA-N	0	3	304.825	2.978	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000091437273	290011783	/nfs/dbraw/zinc/01/17/83/290011783.db2.gz	IWUPVVGOTCNXKJ-MAZHCROVSA-N	0	3	306.431	2.565	20	30		DFEDHN
C=C(C)CN1CCC(N[C@@H](c2ncc[nH]2)c2cccnc2)CC1	ZINC000195028446	335091107	/nfs/dbraw/zinc/09/11/07/335091107.db2.gz	XKJZLAPLXMIERE-QGZVFWFLSA-N	0	3	311.433	2.524	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)c(F)c1	ZINC000538508376	301322585	/nfs/dbraw/zinc/32/25/85/301322585.db2.gz	KFQIVSSYIJQSKK-NILFDRSVSA-N	0	3	324.421	2.704	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)cc1F	ZINC000540976458	301380182	/nfs/dbraw/zinc/38/01/82/301380182.db2.gz	FFZKCRDODKBHIB-PWSUYJOCSA-N	0	3	315.314	2.985	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(Nc3ccccn3)CC2)cc1	ZINC000562842695	302008061	/nfs/dbraw/zinc/00/80/61/302008061.db2.gz	RTEKYPYAIVEYTL-UHFFFAOYSA-N	0	3	322.412	2.909	20	30		DFEDHN
C[C@H]1CN(CCCOc2cccc(C#N)c2)CC2(CCC2)O1	ZINC000563082023	302035602	/nfs/dbraw/zinc/03/56/02/302035602.db2.gz	UEHDPEXJRYYQHI-HNNXBMFYSA-N	0	3	300.402	2.971	20	30		DFEDHN
C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)c(F)c1	ZINC000564229595	302124572	/nfs/dbraw/zinc/12/45/72/302124572.db2.gz	FGURQYCOVWTXDC-UVBJJODRSA-N	0	3	301.365	2.501	20	30		DFEDHN
Cc1cccc(C(C)(C)CNCc2cnc3c(C#N)cnn3c2)c1	ZINC000564355291	302131424	/nfs/dbraw/zinc/13/14/24/302131424.db2.gz	GQPGZDLVXYVSBB-UHFFFAOYSA-N	0	3	319.412	2.977	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2C[C@@H]2CNc3c(C#N)cnn3C2)o1	ZINC000564452372	302135933	/nfs/dbraw/zinc/13/59/33/302135933.db2.gz	BIKNYICLFNNUSR-ZFWWWQNUSA-N	0	3	311.389	2.535	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc(C#N)c(F)c1	ZINC000564832139	302162265	/nfs/dbraw/zinc/16/22/65/302162265.db2.gz	JZJMXXLMRHGMDN-JECHBYEQSA-N	0	3	314.364	2.612	20	30		DFEDHN
CCS[C@@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000564986252	302179937	/nfs/dbraw/zinc/17/99/37/302179937.db2.gz	PIQGEHLNPBAIAU-HUUCEWRRSA-N	0	3	315.446	2.755	20	30		DFEDHN
CN(C)Cc1ccccc1NC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000567105621	302336093	/nfs/dbraw/zinc/33/60/93/302336093.db2.gz	KJTIWJLBWSCCLZ-UHFFFAOYSA-N	0	3	322.412	2.938	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCCc4ccccc4CC3)cnc12	ZINC000567270755	302346478	/nfs/dbraw/zinc/34/64/78/302346478.db2.gz	MXGWZWOPSKUSAM-UHFFFAOYSA-N	0	3	317.396	2.592	20	30		DFEDHN
Cc1cc(CNc2cnccc2N2CCN(C)CC2)ccc1C#N	ZINC000567602344	302372225	/nfs/dbraw/zinc/37/22/25/302372225.db2.gz	ZNHTYKZYFUTBFX-UHFFFAOYSA-N	0	3	321.428	2.626	20	30		DFEDHN
Cc1nc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ccc1C#N	ZINC000573130015	302693049	/nfs/dbraw/zinc/69/30/49/302693049.db2.gz	AFSAZVWRRALEIP-KRWDZBQOSA-N	0	3	322.412	2.815	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)Nc1cccc(C#N)n1	ZINC000573962989	302733223	/nfs/dbraw/zinc/73/32/23/302733223.db2.gz	RSWYMVDKWMCJGO-UHFFFAOYSA-N	0	3	315.421	2.683	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)c2ccccc2Cl)s1	ZINC000176969218	315979833	/nfs/dbraw/zinc/97/98/33/315979833.db2.gz	RGAQPOILYKOBPN-UHFFFAOYSA-N	0	3	319.817	2.793	20	30		DFEDHN
C[C@H](Cc1ccccc1)CN1CCN(c2ncccc2C#N)CC1	ZINC000182029871	316082180	/nfs/dbraw/zinc/08/21/80/316082180.db2.gz	PYIAJSIJPNILJI-QGZVFWFLSA-N	0	3	320.440	2.954	20	30		DFEDHN
COc1cc(CNCC2(O)CCC(C)(C)CC2)ccc1C#N	ZINC000318337836	316249054	/nfs/dbraw/zinc/24/90/54/316249054.db2.gz	VWOYSHAXLSNPKW-UHFFFAOYSA-N	0	3	302.418	2.988	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@@H]3C[C@@H]32)C1=O	ZINC000572099006	318001235	/nfs/dbraw/zinc/00/12/35/318001235.db2.gz	YQZTVMOEYIAURW-CABNGKKXSA-N	0	3	301.415	2.503	20	30		DFEDHN
CN1CCN(Cc2cc(C#N)ccc2Br)CC1(C)C	ZINC000576764864	318148878	/nfs/dbraw/zinc/14/88/78/318148878.db2.gz	BUUKQYRRKKFGIN-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)nc1	ZINC000577506335	318198315	/nfs/dbraw/zinc/19/83/15/318198315.db2.gz	RZWMWFQGXMRGGV-SFHVURJKSA-N	0	3	304.397	2.590	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)C1	ZINC000577706773	318211107	/nfs/dbraw/zinc/21/11/07/318211107.db2.gz	SCBGNXXUGNWNHP-RUGDWHBFSA-N	0	3	311.429	2.507	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@@H]1NCc1ccc(C#N)cn1	ZINC000578903424	318294346	/nfs/dbraw/zinc/29/43/46/318294346.db2.gz	GUZPRKBIPSTAAU-HOTGVXAUSA-N	0	3	301.390	2.555	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000579249611	318317891	/nfs/dbraw/zinc/31/78/91/318317891.db2.gz	SIWBYLGWLHZISR-INMHGKMJSA-N	0	3	315.373	2.592	20	30		DFEDHN
C=CCOc1cccc(CNCCNC(=O)[C@H](C)CCC)c1	ZINC000292640894	335092667	/nfs/dbraw/zinc/09/26/67/335092667.db2.gz	KIDGMEIUXBPEIW-OAHLLOKOSA-N	0	3	304.434	2.893	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000379678730	323291174	/nfs/dbraw/zinc/29/11/74/323291174.db2.gz	GUQYTMSRRGNVCV-GOEBONIOSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000188305919	331594088	/nfs/dbraw/zinc/59/40/88/331594088.db2.gz	YTTCHHRBTTXFTP-GOSISDBHSA-N	0	3	320.433	2.794	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000297487939	331599624	/nfs/dbraw/zinc/59/96/24/331599624.db2.gz	NCUOPLQZMJVIGB-INIZCTEOSA-N	0	3	319.474	2.676	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OC)cc1	ZINC000299427989	331690907	/nfs/dbraw/zinc/69/09/07/331690907.db2.gz	UFZGJGKRCZYPSO-HUUCEWRRSA-N	0	3	302.418	2.935	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2ccccc2C)CC1	ZINC000299601971	331696823	/nfs/dbraw/zinc/69/68/23/331696823.db2.gz	CSJBHXJPBUYDTE-UHFFFAOYSA-N	0	3	312.457	2.734	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2ccnc(Cl)c2)CC1	ZINC000255265852	331726492	/nfs/dbraw/zinc/72/64/92/331726492.db2.gz	IOGGWMYYXFTORG-ARJAWSKDSA-N	0	3	319.836	2.905	20	30		DFEDHN
N#CCCC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1	ZINC000584181383	331858016	/nfs/dbraw/zinc/85/80/16/331858016.db2.gz	WYHYUIZAHFTULU-LJQANCHMSA-N	0	3	313.445	2.908	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccccc2F)C1	ZINC000558634010	331930659	/nfs/dbraw/zinc/93/06/59/331930659.db2.gz	DSQBZYXHKOWIIB-HUUCEWRRSA-N	0	3	300.381	2.685	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CC3CCC2CC3)CC1	ZINC000426381049	332101544	/nfs/dbraw/zinc/10/15/44/332101544.db2.gz	UWAAVFOQPSZKEJ-DQPZFDDXSA-N	0	3	305.466	2.905	20	30		DFEDHN
NC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000427012832	332164390	/nfs/dbraw/zinc/16/43/90/332164390.db2.gz	AQHRNVPLNXMXIO-HNNXBMFYSA-N	0	3	324.346	2.787	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000427147941	332172332	/nfs/dbraw/zinc/17/23/32/332172332.db2.gz	RFFNEAHZLGKNAW-GOSISDBHSA-N	0	3	320.477	2.858	20	30		DFEDHN
N#CC1(NC(=O)CNC2(c3ccccc3)CCC2)CCCCC1	ZINC000104665155	332247170	/nfs/dbraw/zinc/24/71/70/332247170.db2.gz	ZOWHQBWWQPWWKQ-UHFFFAOYSA-N	0	3	311.429	2.998	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2cccc(F)c2)CC1	ZINC000118250704	332270781	/nfs/dbraw/zinc/27/07/81/332270781.db2.gz	YJLGKMJRSIIFOZ-UHFFFAOYSA-N	0	3	316.420	2.565	20	30		DFEDHN
COc1ccc(CNC[C@H](O)C(C)(C)C)cc1OCCCC#N	ZINC000112382229	332313452	/nfs/dbraw/zinc/31/34/52/332313452.db2.gz	WBNLEMZAPKNJGD-KRWDZBQOSA-N	0	3	320.433	2.874	20	30		DFEDHN
C=C(C)COCCNC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000152762446	332328058	/nfs/dbraw/zinc/32/80/58/332328058.db2.gz	UWNDQFVBCUHDNW-UHFFFAOYSA-N	0	3	316.445	2.993	20	30		DFEDHN
C=C(Br)CN1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000195290220	335104341	/nfs/dbraw/zinc/10/43/41/335104341.db2.gz	QABONPYNGFSOHY-OAHLLOKOSA-N	0	3	324.266	2.744	20	30		DFEDHN
C#CCC(C)(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000185089357	335111972	/nfs/dbraw/zinc/11/19/72/335111972.db2.gz	VOJSDOAKZOKESV-UHFFFAOYSA-N	0	3	312.457	2.989	20	30		DFEDHN
C=CCOCCN1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000293625598	335113646	/nfs/dbraw/zinc/11/36/46/335113646.db2.gz	QPWJZDNUNLOTNJ-GOSISDBHSA-N	0	3	305.418	2.643	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)C1(N)CCCCC1	ZINC000580181852	332988926	/nfs/dbraw/zinc/98/89/26/332988926.db2.gz	HEBKHKCZWGFKNQ-UHFFFAOYSA-N	0	3	302.418	2.871	20	30		DFEDHN
C=C(CC)CN[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O	ZINC000442790532	335115168	/nfs/dbraw/zinc/11/51/68/335115168.db2.gz	IVSNGVXVUABUME-GJZGRUSLSA-N	0	3	324.465	2.509	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000567708072	333009651	/nfs/dbraw/zinc/00/96/51/333009651.db2.gz	SZXSMFQWLWBVFQ-HZPDHXFCSA-N	0	3	309.841	2.587	20	30		DFEDHN
Cc1c2ccccc2oc1[C@H](C)NC[C@H](O)CN(C)CCC#N	ZINC000562989198	333019294	/nfs/dbraw/zinc/01/92/94/333019294.db2.gz	YSPSGTUKYZFDHL-GJZGRUSLSA-N	0	3	315.417	2.598	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000181034587	333029483	/nfs/dbraw/zinc/02/94/83/333029483.db2.gz	PESBOPMPMLTKIC-HNNXBMFYSA-N	0	3	323.481	2.672	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)Cc2ccccc2C(F)(F)F)CC1	ZINC000563002590	333032061	/nfs/dbraw/zinc/03/20/61/333032061.db2.gz	HJDAKGLYKYWQGK-ZDUSSCGKSA-N	0	3	312.335	2.892	20	30		DFEDHN
CN(C[C@H](O)CNc1ccccc1SCCC#N)C1CC1	ZINC000563004942	333036172	/nfs/dbraw/zinc/03/61/72/333036172.db2.gz	NOFYCXKAOBXPDF-CQSZACIVSA-N	0	3	305.447	2.559	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2[C@H](C1)C2(C)C	ZINC000172968268	333067904	/nfs/dbraw/zinc/06/79/04/333067904.db2.gz	YSANSNRPBURXAM-BHYGNILZSA-N	0	3	311.429	2.910	20	30		DFEDHN
COc1ccc(CN(CCO)CCCC(C)(C)C#N)c(OC)c1	ZINC000174858317	333091879	/nfs/dbraw/zinc/09/18/79/333091879.db2.gz	PTHBHWNFZCCBEO-UHFFFAOYSA-N	0	3	320.433	2.828	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000185224245	335121020	/nfs/dbraw/zinc/12/10/20/335121020.db2.gz	RVZROACCZXFCDI-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1	ZINC000294383048	335121930	/nfs/dbraw/zinc/12/19/30/335121930.db2.gz	HKNRRGJSESYGAO-UHFFFAOYSA-N	0	3	315.461	2.975	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1NCc1cccc(OCCCC#N)c1	ZINC000353126887	333144142	/nfs/dbraw/zinc/14/41/42/333144142.db2.gz	IKRXKQQLLJMGAO-QZTJIDSGSA-N	0	3	318.417	2.653	20	30		DFEDHN
CC1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000179722600	333154630	/nfs/dbraw/zinc/15/46/30/333154630.db2.gz	PHJJAGYDYYSFFC-UHFFFAOYSA-N	0	3	324.428	2.811	20	30		DFEDHN
C[C@@H](C#N)Oc1ccccc1NC(=O)NCCN1CCCCC1	ZINC000180041703	333157692	/nfs/dbraw/zinc/15/76/92/333157692.db2.gz	TVSGWBVTZMFLQU-AWEZNQCLSA-N	0	3	316.405	2.585	20	30		DFEDHN
Cc1cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c(C)s1	ZINC000180866639	333165669	/nfs/dbraw/zinc/16/56/69/333165669.db2.gz	CZSMVRDHWDGNPR-YZSSSTSJSA-N	0	3	319.430	2.542	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](CC(C)C)c1ccccc1OC	ZINC000294561139	335125969	/nfs/dbraw/zinc/12/59/69/335125969.db2.gz	LLWJNNLQDMDFDW-MRXNPFEDSA-N	0	3	302.418	2.512	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C	ZINC000181083956	333167315	/nfs/dbraw/zinc/16/73/15/333167315.db2.gz	PHHFSRTVGDISQL-YOEHRIQHSA-N	0	3	311.429	2.796	20	30		DFEDHN
C[C@H](C#N)CSc1ccccc1NC(=O)NCCN(C)C	ZINC000181592296	333170514	/nfs/dbraw/zinc/17/05/14/333170514.db2.gz	LWKNWYYYOQMCPS-GFCCVEGCSA-N	0	3	306.435	2.621	20	30		DFEDHN
C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181763972	333172194	/nfs/dbraw/zinc/17/21/94/333172194.db2.gz	DLTGQWIIIZTSCG-ZSEKCTLFSA-N	0	3	308.447	2.787	20	30		DFEDHN
CC(C)(C#N)CCCN[C@H](CS(C)(=O)=O)c1ccccc1	ZINC000181774017	333172378	/nfs/dbraw/zinc/17/23/78/333172378.db2.gz	JWVVXVUCTNRHHK-OAHLLOKOSA-N	0	3	308.447	2.692	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363818887	333178468	/nfs/dbraw/zinc/17/84/68/333178468.db2.gz	JXWLDHFYJIAKSH-WMZOPIPTSA-N	0	3	313.445	2.704	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000185584434	333209969	/nfs/dbraw/zinc/20/99/69/333209969.db2.gz	SORPBPAHSWPZAS-QGZVFWFLSA-N	0	3	314.433	2.767	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1	ZINC000185762004	333213552	/nfs/dbraw/zinc/21/35/52/333213552.db2.gz	SOLWQDPLDRAYAX-WDSOQIARSA-N	0	3	313.445	2.732	20	30		DFEDHN
COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC)c1OC	ZINC000185785766	333213951	/nfs/dbraw/zinc/21/39/51/333213951.db2.gz	WVOGNLJFXIEYKY-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
COc1cc(OC)c(OC)cc1CN[C@H]1CCC[C@@H](C#N)C1	ZINC000185812766	333214562	/nfs/dbraw/zinc/21/45/62/333214562.db2.gz	RTQZTGRWUINLTR-OCCSQVGLSA-N	0	3	304.390	2.884	20	30		DFEDHN
COc1cc(OC)cc(OCCN[C@H]2CCC[C@@H](C#N)C2)c1	ZINC000185863256	333215223	/nfs/dbraw/zinc/21/52/23/333215223.db2.gz	HGGBEVQLWGDEQF-KGLIPLIRSA-N	0	3	304.390	2.755	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185879504	333215415	/nfs/dbraw/zinc/21/54/15/333215415.db2.gz	LJWIZXLIMDBLEI-HUUCEWRRSA-N	0	3	306.431	2.652	20	30		DFEDHN
C#C[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000185329925	335128110	/nfs/dbraw/zinc/12/81/10/335128110.db2.gz	YIYZIVHLCUOLPU-BBRMVZONSA-N	0	3	324.346	2.579	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000364024849	333222041	/nfs/dbraw/zinc/22/20/41/333222041.db2.gz	YEGNKSBSXYTVRD-INIZCTEOSA-N	0	3	313.445	2.907	20	30		DFEDHN
C=CCc1cc(CN[C@@H](CC)[C@H](O)C(F)F)cc(OC)c1O	ZINC000294927315	335128934	/nfs/dbraw/zinc/12/89/34/335128934.db2.gz	BITXOMQTUZLSEU-WFASDCNBSA-N	0	3	315.360	2.624	20	30		DFEDHN
COCCO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000189683215	333261080	/nfs/dbraw/zinc/26/10/80/333261080.db2.gz	YMTSCZYBJSPXCP-INIZCTEOSA-N	0	3	302.418	2.725	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC(O)C1	ZINC000191159275	333277993	/nfs/dbraw/zinc/27/79/93/333277993.db2.gz	BJUOQGZQGHHCJX-UHFFFAOYSA-N	0	3	324.428	2.666	20	30		DFEDHN
COc1cc(CN[C@H]2CCC[C@H](C#N)C2)cc(OC)c1OC	ZINC000192616422	333290681	/nfs/dbraw/zinc/29/06/81/333290681.db2.gz	HMDRDMHFOPLLKI-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
N#CC(CCN1CC[C@H](O)C1)(c1ccccc1)c1ccccc1	ZINC000193049789	333297832	/nfs/dbraw/zinc/29/78/32/333297832.db2.gz	POSYKTZXWVPRDP-IBGZPJMESA-N	0	3	306.409	2.953	20	30		DFEDHN
N#CC(CCN1CC[C@@H](O)C1)(c1ccccc1)c1ccccc1	ZINC000193049808	333297972	/nfs/dbraw/zinc/29/79/72/333297972.db2.gz	POSYKTZXWVPRDP-LJQANCHMSA-N	0	3	306.409	2.953	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1	ZINC000193354035	333302384	/nfs/dbraw/zinc/30/23/84/333302384.db2.gz	LIGAZKJTPRBFAQ-OKZBNKHCSA-N	0	3	311.429	2.768	20	30		DFEDHN
C=CC1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)CC1	ZINC000111382473	333329377	/nfs/dbraw/zinc/32/93/77/333329377.db2.gz	DBAKHBBIYBGANG-KRWDZBQOSA-N	0	3	303.402	2.527	20	30		DFEDHN
C=CCCOCCN[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000364855322	333332390	/nfs/dbraw/zinc/33/23/90/333332390.db2.gz	MPCSIWKNLMBXEP-GOSISDBHSA-N	0	3	320.408	2.801	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1	ZINC000295248566	335134490	/nfs/dbraw/zinc/13/44/90/335134490.db2.gz	MMVZIFBEFIUTNG-INIZCTEOSA-N	0	3	314.429	2.503	20	30		DFEDHN
COC1(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCOCC1	ZINC000369020303	333351068	/nfs/dbraw/zinc/35/10/68/333351068.db2.gz	WIPPXZFEWJMKNY-ZWKOTPCHSA-N	0	3	314.429	2.954	20	30		DFEDHN
C=CCCN1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000496297038	333390115	/nfs/dbraw/zinc/39/01/15/333390115.db2.gz	VYUBPVDZYKAPRS-UHFFFAOYSA-N	0	3	312.454	2.910	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](CCCCOC)c2ccccc2)C1=O	ZINC000337262960	333444864	/nfs/dbraw/zinc/44/48/64/333444864.db2.gz	WVUQETDQJDKDRS-ZWKOTPCHSA-N	0	3	316.445	2.921	20	30		DFEDHN
CSc1ccccc1[C@H](C)NCCC(=O)N(C)CCC#N	ZINC000337360259	333447027	/nfs/dbraw/zinc/44/70/27/333447027.db2.gz	HMDOZGXQNCFBPV-ZDUSSCGKSA-N	0	3	305.447	2.821	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C	ZINC000337414040	333448510	/nfs/dbraw/zinc/44/85/10/333448510.db2.gz	OPGYADDOPMGDGW-SWLSCSKDSA-N	0	3	321.396	2.513	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN(CCC(C)(C)C)CC1	ZINC000337858073	333462473	/nfs/dbraw/zinc/46/24/73/333462473.db2.gz	MFGQMNJRXJWIJB-UHFFFAOYSA-N	0	3	317.481	2.900	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC2CC2)CC1	ZINC000337920371	333463600	/nfs/dbraw/zinc/46/36/00/333463600.db2.gz	YLQUNSHMBJLIIX-AWEZNQCLSA-N	0	3	303.454	2.510	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1	ZINC000337916677	333463877	/nfs/dbraw/zinc/46/38/77/333463877.db2.gz	VBAVVXXQKGEOMJ-INIZCTEOSA-N	0	3	317.481	2.727	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCCC23CCCC3)CC1	ZINC000366070013	333491737	/nfs/dbraw/zinc/49/17/37/333491737.db2.gz	XAIUWCQBEQMUQS-KRWDZBQOSA-N	0	3	302.462	2.951	20	30		DFEDHN
COc1cccc(C2(F)CCN(CCOCCC#N)CC2)c1	ZINC000339156570	333510322	/nfs/dbraw/zinc/51/03/22/333510322.db2.gz	VHOUQBKCEBJTST-UHFFFAOYSA-N	0	3	306.381	2.886	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)Nc1cccc(OCCN(C)C)c1)OCC	ZINC000339399493	333522860	/nfs/dbraw/zinc/52/28/60/333522860.db2.gz	HSVNAFRRYFSIOQ-QGZVFWFLSA-N	0	3	320.433	2.937	20	30		DFEDHN
C[C@H](NCCOCCC#N)c1ccc(-n2cccn2)c(F)c1	ZINC000339423604	333524551	/nfs/dbraw/zinc/52/45/51/333524551.db2.gz	BSDFGHVDACCXCP-ZDUSSCGKSA-N	0	3	302.353	2.592	20	30		DFEDHN
C=CC(C)(C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000296837878	335146838	/nfs/dbraw/zinc/14/68/38/335146838.db2.gz	SNVMFMPTNORMHM-KRWDZBQOSA-N	0	3	316.445	2.606	20	30		DFEDHN
OC[C@@]1([C@@H](NCC#Cc2ccccc2Cl)C2CC2)CCCO1	ZINC000339760155	333592125	/nfs/dbraw/zinc/59/21/25/333592125.db2.gz	VDJUSWHUJQYWPT-ZWKOTPCHSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC000296938685	335150214	/nfs/dbraw/zinc/15/02/14/335150214.db2.gz	PKUGPKFACXDVSM-AWEZNQCLSA-N	0	3	321.852	2.998	20	30		DFEDHN
CC[C@@H](N[C@@H](C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000411456925	333673522	/nfs/dbraw/zinc/67/35/22/333673522.db2.gz	VQKPKMYQHMSRFK-GOEBONIOSA-N	0	3	317.433	2.887	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](CO)c2cccc(Br)c2)C1	ZINC000442827323	335156316	/nfs/dbraw/zinc/15/63/16/335156316.db2.gz	KBCZTHMMMXNRQM-SWHYSGLUSA-N	0	3	309.207	2.764	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@H]2CCN(C(=O)OCC)C2)cc1	ZINC000186452052	335157967	/nfs/dbraw/zinc/15/79/67/335157967.db2.gz	UXUMCGAMGVTKTB-ZBFHGGJFSA-N	0	3	316.401	2.580	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@H]2c2nccn2C)cc1	ZINC000343396852	335161820	/nfs/dbraw/zinc/16/18/20/335161820.db2.gz	IVQMTUBRVSLTQL-DLBZAZTESA-N	0	3	313.401	2.605	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCO[C@H]2c2ccnn2C)c1	ZINC000343394753	335161833	/nfs/dbraw/zinc/16/18/33/335161833.db2.gz	HBQIILZUMFQPMC-FUHWJXTLSA-N	0	3	313.401	2.605	20	30		DFEDHN
COc1ccc(CNc2nccn2C)cc1OCCCC#N	ZINC000414305241	333943958	/nfs/dbraw/zinc/94/39/58/333943958.db2.gz	PTVOFDCGICOCQU-UHFFFAOYSA-N	0	3	300.362	2.723	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cccn2C)c([O-])c1	ZINC000265945508	333969615	/nfs/dbraw/zinc/96/96/15/333969615.db2.gz	KEHDTQVHONBTBV-LPGQDOADSA-N	0	3	315.417	2.729	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1	ZINC000343497927	335169574	/nfs/dbraw/zinc/16/95/74/335169574.db2.gz	XPBMEUWYESKOAF-QGZVFWFLSA-N	0	3	318.461	2.866	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1	ZINC000270428992	334013191	/nfs/dbraw/zinc/01/31/91/334013191.db2.gz	WGGPOAYOTDTXLQ-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
CCc1ccc([C@H]2CCCN2CCC(=O)N(C)CCC#N)o1	ZINC000271487336	334024026	/nfs/dbraw/zinc/02/40/26/334024026.db2.gz	FAAHOUPMGFBOKS-OAHLLOKOSA-N	0	3	303.406	2.741	20	30		DFEDHN
CCOc1ccccc1[C@H](CC)NCCC(=O)N(C)CCC#N	ZINC000271790565	334026924	/nfs/dbraw/zinc/02/69/24/334026924.db2.gz	QMBVMNXQJWGZDN-INIZCTEOSA-N	0	3	317.433	2.888	20	30		DFEDHN
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(OCC#N)cc1	ZINC000271870343	334028018	/nfs/dbraw/zinc/02/80/18/334028018.db2.gz	MNAYZZBLOUEYJX-RHSMWYFYSA-N	0	3	316.401	2.925	20	30		DFEDHN
C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000271887226	334028358	/nfs/dbraw/zinc/02/83/58/334028358.db2.gz	QZFHXFGFQWXULR-AGRHKRQWSA-N	0	3	308.381	2.898	20	30		DFEDHN
C[C@H](NCCC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271950554	334028949	/nfs/dbraw/zinc/02/89/49/334028949.db2.gz	AUKFGOOUSXRRTQ-ZDUSSCGKSA-N	0	3	323.462	2.527	20	30		DFEDHN
CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](CCC#N)c2ccccc2)C1	ZINC000272316482	334032812	/nfs/dbraw/zinc/03/28/12/334032812.db2.gz	XSHGLIXUXQGAIN-BRWVUGGUSA-N	0	3	320.458	2.977	20	30		DFEDHN
CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](CCC#N)c2ccccc2)C1	ZINC000272316483	334032911	/nfs/dbraw/zinc/03/29/11/334032911.db2.gz	XSHGLIXUXQGAIN-GVDBMIGSSA-N	0	3	320.458	2.977	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(CC#N)cc1	ZINC000272416009	334034450	/nfs/dbraw/zinc/03/44/50/334034450.db2.gz	ZNAHIDKKWVWLPM-CQSZACIVSA-N	0	3	314.433	2.947	20	30		DFEDHN
CC1(C#N)CCN(C[C@@H](O)COCc2ccccc2Cl)CC1	ZINC000272560110	334037113	/nfs/dbraw/zinc/03/71/13/334037113.db2.gz	LPJUXESIEYMSMK-OAHLLOKOSA-N	0	3	322.836	2.843	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000272682787	334038821	/nfs/dbraw/zinc/03/88/21/334038821.db2.gz	OAZYSFGANHZVBV-AWEZNQCLSA-N	0	3	316.405	2.537	20	30		DFEDHN
N#CCc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1	ZINC000343530638	335175232	/nfs/dbraw/zinc/17/52/32/335175232.db2.gz	CSPKTGMODLTSQS-GOSISDBHSA-N	0	3	300.402	2.523	20	30		DFEDHN
N#C[C@H](c1ccccc1)N1CCN(CCC2CCOCC2)CC1	ZINC000276495361	334080166	/nfs/dbraw/zinc/08/01/66/334080166.db2.gz	VWILLWXMSXLKEM-LJQANCHMSA-N	0	3	313.445	2.686	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000280124594	334114528	/nfs/dbraw/zinc/11/45/28/334114528.db2.gz	CRDNRSYJXNUFGU-OAHLLOKOSA-N	0	3	313.445	2.949	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1	ZINC000340069934	334122105	/nfs/dbraw/zinc/12/21/05/334122105.db2.gz	XIEGFHCAPJEFML-GOSISDBHSA-N	0	3	307.397	2.785	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@H]2C1	ZINC000281097171	334123099	/nfs/dbraw/zinc/12/30/99/334123099.db2.gz	GIPFMNVSPZEWEU-PBHICJAKSA-N	0	3	311.429	2.654	20	30		DFEDHN
COC[C@H](NCCCC1(C#N)CCOCC1)c1ccc(C)o1	ZINC000281191589	334123750	/nfs/dbraw/zinc/12/37/50/334123750.db2.gz	BUBWMYIHDOSMKM-HNNXBMFYSA-N	0	3	306.406	2.966	20	30		DFEDHN
N#CC1(CCCN[C@@H](CO)c2ccc(F)cc2)CCOCC1	ZINC000281388324	334125739	/nfs/dbraw/zinc/12/57/39/334125739.db2.gz	POHFLUUKFHDVAJ-INIZCTEOSA-N	0	3	306.381	2.549	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1	ZINC000283716681	334141183	/nfs/dbraw/zinc/14/11/83/334141183.db2.gz	UQIIXNPURAZBJX-HNNXBMFYSA-N	0	3	322.840	2.936	20	30		DFEDHN
CCCN(CC#N)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000284230720	334142902	/nfs/dbraw/zinc/14/29/02/334142902.db2.gz	VDCDDDHIZBZXCF-SFHVURJKSA-N	0	3	301.434	2.513	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000285231792	334146425	/nfs/dbraw/zinc/14/64/25/334146425.db2.gz	QTDCOPVQVCGVCZ-LJQANCHMSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC[C@H](CNCc1ccc(OC)c(OCCCC#N)c1)OC	ZINC000289737149	334167430	/nfs/dbraw/zinc/16/74/30/334167430.db2.gz	HCTSYPSIWAVEFS-OAHLLOKOSA-N	0	3	306.406	2.892	20	30		DFEDHN
C#C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)C(C)(C)C	ZINC000290095704	334170884	/nfs/dbraw/zinc/17/08/84/334170884.db2.gz	HKSDIEYLPLAFMD-KRWDZBQOSA-N	0	3	321.428	2.996	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1C1CC1	ZINC000290777052	334174730	/nfs/dbraw/zinc/17/47/30/334174730.db2.gz	MICVUCPMTYZYKB-SJLPKXTDSA-N	0	3	314.429	2.613	20	30		DFEDHN
N#CC(C(=O)c1ccnc2ccncc21)c1nc2ccccc2[nH]1	ZINC000340364008	334175284	/nfs/dbraw/zinc/17/52/84/334175284.db2.gz	SZEJVRQSARPQLK-LBPRGKRZSA-N	0	3	313.320	2.996	20	30		DFEDHN
C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(N2CCCNC2=O)cc1	ZINC000291160446	334177057	/nfs/dbraw/zinc/17/70/57/334177057.db2.gz	IJGZUYRMKFEAGB-SQWLQELKSA-N	0	3	312.417	2.949	20	30		DFEDHN
CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000291378774	334178061	/nfs/dbraw/zinc/17/80/61/334178061.db2.gz	DYSGRSJPCPXFOE-VQIMIIECSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCN(C)CC[C@H]2C)c1	ZINC000340380823	334179825	/nfs/dbraw/zinc/17/98/25/334179825.db2.gz	TYQPSQYZNBTTLW-CQSZACIVSA-N	0	3	303.406	2.809	20	30		DFEDHN
COc1ccc([C@@H](CN2CCCC2)NC(=O)CCCC#N)cc1	ZINC000291787733	334181792	/nfs/dbraw/zinc/18/17/92/334181792.db2.gz	YBGNZDQKSWWBLT-QGZVFWFLSA-N	0	3	315.417	2.642	20	30		DFEDHN
C[C@@H]1CN(c2cccc(F)c2)CCN1CCCSCC#N	ZINC000292130050	334184776	/nfs/dbraw/zinc/18/47/76/334184776.db2.gz	IJYUPKTZXFYZQM-CQSZACIVSA-N	0	3	307.438	2.983	20	30		DFEDHN
N#CCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1	ZINC000292218215	334185595	/nfs/dbraw/zinc/18/55/95/334185595.db2.gz	QJGHFBKQEZODIB-UHFFFAOYSA-N	0	3	315.417	2.523	20	30		DFEDHN
N#CCCOCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1	ZINC000292762047	334192120	/nfs/dbraw/zinc/19/21/20/334192120.db2.gz	ABDWEXATYFGFOK-MOPGFXCFSA-N	0	3	310.397	2.981	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CC[C@](CO)(Cc3ccc(F)cc3)C2)C1	ZINC000293592985	334199373	/nfs/dbraw/zinc/19/93/73/334199373.db2.gz	OKFNBNJCUBVEJY-NXHRZFHOSA-N	0	3	302.393	2.745	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CCN(C2CCC2)C1	ZINC000293689777	334200928	/nfs/dbraw/zinc/20/09/28/334200928.db2.gz	MDLOYSLSTDUUSA-HNNXBMFYSA-N	0	3	311.429	2.699	20	30		DFEDHN
CC(C)OC(=O)C[C@H](NCCOCCC#N)c1ccccc1	ZINC000294376417	334208542	/nfs/dbraw/zinc/20/85/42/334208542.db2.gz	BHLFRGJLFAQVNY-INIZCTEOSA-N	0	3	304.390	2.589	20	30		DFEDHN
N#CC1CCC(C[NH2+][C@@H](c2nnc[n-]2)c2ccc(F)cc2)CC1	ZINC000294425672	334209710	/nfs/dbraw/zinc/20/97/10/334209710.db2.gz	UNRWSNXSNLWAAC-SEEARECTSA-N	0	3	313.380	2.953	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1	ZINC000294535285	334210603	/nfs/dbraw/zinc/21/06/03/334210603.db2.gz	JZQNAQDKEFXWGH-YDHLFZDLSA-N	0	3	302.374	2.581	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)C2(C#N)CCC2)N(C)C)cc1	ZINC000294673592	334212318	/nfs/dbraw/zinc/21/23/18/334212318.db2.gz	FPFJZOCRZDNMLL-OAHLLOKOSA-N	0	3	317.458	2.821	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](O)[C@H]2C)cc1OCCCC#N	ZINC000295010296	334215437	/nfs/dbraw/zinc/21/54/37/334215437.db2.gz	MAUAGUNUHCDWPY-ZBFHGGJFSA-N	0	3	318.417	2.723	20	30		DFEDHN
CC(F)(F)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000295685747	334226625	/nfs/dbraw/zinc/22/66/25/334226625.db2.gz	YWYBUQWFZQQZFK-CQSZACIVSA-N	0	3	305.328	2.792	20	30		DFEDHN
CCC1(CC)CN(C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000296445376	334234032	/nfs/dbraw/zinc/23/40/32/334234032.db2.gz	YXIBLOBTEHPWQO-INIZCTEOSA-N	0	3	302.418	2.614	20	30		DFEDHN
CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(C)C	ZINC000296599817	334235321	/nfs/dbraw/zinc/23/53/21/334235321.db2.gz	VNTQIZGBJOUWDH-YOEHRIQHSA-N	0	3	317.433	2.742	20	30		DFEDHN
N#CCOc1ccc(CN2CCC(c3ccncn3)CC2)cc1	ZINC000298115943	334246638	/nfs/dbraw/zinc/24/66/38/334246638.db2.gz	JWNRZORPYSGRNK-UHFFFAOYSA-N	0	3	308.385	2.759	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000298632306	334250207	/nfs/dbraw/zinc/25/02/07/334250207.db2.gz	OUCIPOJBUYCYBD-CYBMUJFWSA-N	0	3	301.390	2.735	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccco1)N1[C@H](C)CC[C@@H]1C	ZINC000298811917	334251652	/nfs/dbraw/zinc/25/16/52/334251652.db2.gz	FXYUJQUZDQYKKL-QLFBSQMISA-N	0	3	303.406	2.783	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1	ZINC000299341139	334254848	/nfs/dbraw/zinc/25/48/48/334254848.db2.gz	JRZSQLKDRXQFKG-UHFFFAOYSA-N	0	3	324.428	2.942	20	30		DFEDHN
CCCN(CCc1cccs1)[C@H](C)C(=O)N(C)CCC#N	ZINC000299418069	334255279	/nfs/dbraw/zinc/25/52/79/334255279.db2.gz	UFPAPVVBWWJVRJ-CQSZACIVSA-N	0	3	307.463	2.763	20	30		DFEDHN
C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCNCC1	ZINC000415164356	334333493	/nfs/dbraw/zinc/33/34/93/334333493.db2.gz	PORZBGOJIFDWNE-CYBMUJFWSA-N	0	3	318.446	2.766	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCCc1nc2ccccc2s1	ZINC000121165069	334343928	/nfs/dbraw/zinc/34/39/28/334343928.db2.gz	CCEJHDPUPYHHNE-UHFFFAOYSA-N	0	3	317.458	2.853	20	30		DFEDHN
C=CCOCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000340778514	334385198	/nfs/dbraw/zinc/38/51/98/334385198.db2.gz	NQCLWHJLDWVUPQ-HNNXBMFYSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCN(CCSCC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000340881062	334392701	/nfs/dbraw/zinc/39/27/01/334392701.db2.gz	DFECKVMSQILYGJ-CQSZACIVSA-N	0	3	317.462	2.964	20	30		DFEDHN
C=CCN(CCSCC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000340881061	334392821	/nfs/dbraw/zinc/39/28/21/334392821.db2.gz	DFECKVMSQILYGJ-AWEZNQCLSA-N	0	3	317.462	2.964	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1	ZINC000340996674	334398620	/nfs/dbraw/zinc/39/86/20/334398620.db2.gz	XYDBYHUDTDQLGD-QGZVFWFLSA-N	0	3	314.429	2.952	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(OC)ccc1Br	ZINC000341293718	334423816	/nfs/dbraw/zinc/42/38/16/334423816.db2.gz	IEIANUWKVOGUNW-NSHDSACASA-N	0	3	314.223	2.732	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccccc1OCc1cccnc1	ZINC000341326415	334430298	/nfs/dbraw/zinc/43/02/98/334430298.db2.gz	XDHGKMGVLSCUIS-MRXNPFEDSA-N	0	3	312.413	2.935	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(Br)c(F)c1	ZINC000341313285	334434384	/nfs/dbraw/zinc/43/43/84/334434384.db2.gz	JWWKTESUJZICLS-LLVKDONJSA-N	0	3	302.187	2.862	20	30		DFEDHN
CCN(CCCN1CCC(C#N)(COC)CC1)CC(F)(F)F	ZINC000342009872	334501078	/nfs/dbraw/zinc/50/10/78/334501078.db2.gz	FNEIXTREHVNOIA-UHFFFAOYSA-N	0	3	321.387	2.513	20	30		DFEDHN
C=CCN1CCC(N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1	ZINC000187977129	334606443	/nfs/dbraw/zinc/60/64/43/334606443.db2.gz	REKAIYDNJLCLQW-KRWDZBQOSA-N	0	3	314.408	2.878	20	30		DFEDHN
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CNCCO1	ZINC000415587785	334615933	/nfs/dbraw/zinc/61/59/33/334615933.db2.gz	WWOGPQBHISHTFM-OAHLLOKOSA-N	0	3	317.433	2.648	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F	ZINC000415678872	334618140	/nfs/dbraw/zinc/61/81/40/334618140.db2.gz	XOAKSYGWOJUQQF-AWEZNQCLSA-N	0	3	309.360	2.924	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415973037	334636018	/nfs/dbraw/zinc/63/60/18/334636018.db2.gz	PTBDSSPMMFEZBK-SECBINFHSA-N	0	3	314.311	2.787	20	30		DFEDHN
CC1(C#N)CN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1	ZINC000415970598	334640233	/nfs/dbraw/zinc/64/02/33/334640233.db2.gz	LWXCKDRQGLMXMI-UHFFFAOYSA-N	0	3	312.295	2.541	20	30		DFEDHN
C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)Nc1nccs1	ZINC000328671727	334747069	/nfs/dbraw/zinc/74/70/69/334747069.db2.gz	HMOANFUFAJWIEO-IRCOFANPSA-N	0	3	307.419	2.667	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)Nc1nccs1	ZINC000328726648	334753839	/nfs/dbraw/zinc/75/38/39/334753839.db2.gz	ZSJUIGSOSCPVLE-VHSXEESVSA-N	0	3	308.407	2.751	20	30		DFEDHN
Cn1cc(NC(=O)C2CCN(C3CC3)CC2)c(C(F)(F)F)n1	ZINC000328783734	334756902	/nfs/dbraw/zinc/75/69/02/334756902.db2.gz	VKNHXRBJAUCALG-UHFFFAOYSA-N	0	3	316.327	2.901	20	30		DFEDHN
COc1cnc(NC(=O)NCC(C)(C)N2CCCCC2)s1	ZINC000330730106	334810388	/nfs/dbraw/zinc/81/03/88/334810388.db2.gz	PAIBHLBKACAUOH-UHFFFAOYSA-N	0	3	312.439	2.742	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H]2Cn2cc(C3CC3)nn2)cc1	ZINC000344354283	335243715	/nfs/dbraw/zinc/24/37/15/335243715.db2.gz	ORNQBVGGGYTEJJ-GOSISDBHSA-N	0	3	321.428	2.886	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc(F)cc([N+](=O)[O-])c2)nc(C)n1	ZINC000344552416	335261124	/nfs/dbraw/zinc/26/11/24/335261124.db2.gz	NSYMLUIGLIBOCX-CYBMUJFWSA-N	0	3	314.276	2.631	20	30		DFEDHN
C=CCCOCCCCC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000344622686	335264682	/nfs/dbraw/zinc/26/46/82/335264682.db2.gz	AJYSPHJPVYNCNN-INIZCTEOSA-N	0	3	310.482	2.986	20	30		DFEDHN
CCN1CCO[C@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000344841176	335279348	/nfs/dbraw/zinc/27/93/48/335279348.db2.gz	DKLSOSBFNXLYPL-OWYHZJEWSA-N	0	3	313.445	2.730	20	30		DFEDHN
C[C@H](CC[S@](C)=O)NCc1cccc(OCCCC#N)c1	ZINC000344818839	335280993	/nfs/dbraw/zinc/28/09/93/335280993.db2.gz	FBAQFYSDUMWISF-SZNDQCEHSA-N	0	3	308.447	2.616	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc2cc(Br)ccc2[nH]1	ZINC000345026970	335293194	/nfs/dbraw/zinc/29/31/94/335293194.db2.gz	ZCRAVNVDJYELOQ-QMMMGPOBSA-N	0	3	306.163	2.706	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)OCC	ZINC000345073547	335296600	/nfs/dbraw/zinc/29/66/00/335296600.db2.gz	YDDAZYSCZCQPND-KSZLIROESA-N	0	3	316.445	2.572	20	30		DFEDHN
CCN(CC)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000345197119	335306929	/nfs/dbraw/zinc/30/69/29/335306929.db2.gz	WPURJVCHWQSDPF-ZDUSSCGKSA-N	0	3	313.323	2.728	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000345381724	335321868	/nfs/dbraw/zinc/32/18/68/335321868.db2.gz	PBJMMQXWLRRFBF-CRAIPNDOSA-N	0	3	318.461	2.949	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000345798636	335351700	/nfs/dbraw/zinc/35/17/00/335351700.db2.gz	PTVBZQLFERMYMH-JKSUJKDBSA-N	0	3	308.466	2.548	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000345761568	335352558	/nfs/dbraw/zinc/35/25/58/335352558.db2.gz	LTGYWKNPWUSCGE-SNVBAGLBSA-N	0	3	322.290	2.667	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000346072273	335372457	/nfs/dbraw/zinc/37/24/57/335372457.db2.gz	RFZOUVRKXBHQJO-SJORKVTESA-N	0	3	303.450	2.813	20	30		DFEDHN
CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)C#N)CC1	ZINC000346280958	335391831	/nfs/dbraw/zinc/39/18/31/335391831.db2.gz	PEUKLBSKFDNTHK-WBMJQRKESA-N	0	3	321.371	2.720	20	30		DFEDHN
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)C#N)CC1	ZINC000346280957	335391864	/nfs/dbraw/zinc/39/18/64/335391864.db2.gz	PEUKLBSKFDNTHK-MLGOLLRUSA-N	0	3	321.371	2.720	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCCC2)CC1	ZINC000346263044	335395849	/nfs/dbraw/zinc/39/58/49/335395849.db2.gz	PDRFPVJEPXQUPG-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000346536155	335419425	/nfs/dbraw/zinc/41/94/25/335419425.db2.gz	WHQIMJOZFYDELN-HZSPNIEDSA-N	0	3	309.479	2.591	20	30		DFEDHN
N#CCCCOc1cccc(CNCCN2CCSCC2)c1	ZINC000347745004	335526236	/nfs/dbraw/zinc/52/62/36/335526236.db2.gz	CQAUKAMLGDVXEZ-UHFFFAOYSA-N	0	3	319.474	2.508	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1	ZINC000348479818	335589532	/nfs/dbraw/zinc/58/95/32/335589532.db2.gz	PDFGQYNZNXFKCK-LSDHHAIUSA-N	0	3	323.506	2.935	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000348855949	335614010	/nfs/dbraw/zinc/61/40/10/335614010.db2.gz	AZEQQGXSKJVRDC-IRXDYDNUSA-N	0	3	303.450	2.813	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CC[C@@H](N3CCCCC3)C2)o1	ZINC000329240330	335955039	/nfs/dbraw/zinc/95/50/39/335955039.db2.gz	MPGYNWCBZFKJJC-UONOGXRCSA-N	0	3	306.410	2.518	20	30		DFEDHN
Cc1nc(C2(NC(=O)CC3CCN(C)CC3)CCCC2)no1	ZINC000329371787	335969035	/nfs/dbraw/zinc/96/90/35/335969035.db2.gz	AZEXWXBOWUUTNO-UHFFFAOYSA-N	0	3	306.410	2.836	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NCCN2CC[C@@H](C)C2)cc1	ZINC000582220955	336022886	/nfs/dbraw/zinc/02/28/86/336022886.db2.gz	RJVBKEDJYMAFCP-CRAIPNDOSA-N	0	3	301.434	2.971	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000351220011	336023147	/nfs/dbraw/zinc/02/31/47/336023147.db2.gz	CKRXVRZUEOCVCS-NWDGAFQWSA-N	0	3	317.355	2.935	20	30		DFEDHN
C=CCCOCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000417955818	336030980	/nfs/dbraw/zinc/03/09/80/336030980.db2.gz	HIXRTUFWHVHNMV-QGZVFWFLSA-N	0	3	319.449	2.702	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)CCC#N)C2)nc1	ZINC000351496216	336038522	/nfs/dbraw/zinc/03/85/22/336038522.db2.gz	VZXASUHWBWWQKT-LSDHHAIUSA-N	0	3	300.406	2.733	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000351575150	336046387	/nfs/dbraw/zinc/04/63/87/336046387.db2.gz	QTIQYGMJMMEPHG-VHSXEESVSA-N	0	3	312.200	2.848	20	30		DFEDHN
C=C(C)CCN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000351759236	336065660	/nfs/dbraw/zinc/06/56/60/336065660.db2.gz	RFVXLNGPHLXVEW-KRWDZBQOSA-N	0	3	318.417	2.707	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NCc1ccccc1CN1CCCCC1	ZINC000351767172	336065953	/nfs/dbraw/zinc/06/59/53/336065953.db2.gz	CWWIOPJXGPCXSK-IBGZPJMESA-N	0	3	316.445	2.616	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccccc2Cn2cccn2)CCN1C	ZINC000329870870	336091002	/nfs/dbraw/zinc/09/10/02/336091002.db2.gz	AIDCZKBVDAUSQB-ZBFHGGJFSA-N	0	3	312.417	2.719	20	30		DFEDHN
[O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H]2CCC[C@H]21	ZINC000329894755	336093100	/nfs/dbraw/zinc/09/31/00/336093100.db2.gz	BPJWFJILNUGXTQ-SOUVJXGZSA-N	0	3	302.422	2.624	20	30		DFEDHN
COC1(CNC(=O)NC2CCN(C3CC3)CC2)CCC(C)CC1	ZINC000329941686	336097657	/nfs/dbraw/zinc/09/76/57/336097657.db2.gz	VESBGNFNACMJLO-UHFFFAOYSA-N	0	3	323.481	2.712	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH]n2)CC1	ZINC000329950132	336098795	/nfs/dbraw/zinc/09/87/95/336098795.db2.gz	HQORIJMIDWWWSV-HNNXBMFYSA-N	0	3	319.453	2.518	20	30		DFEDHN
COCCN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1	ZINC000329962274	336100163	/nfs/dbraw/zinc/10/01/63/336100163.db2.gz	SOZHDQGEFWAIGM-UHFFFAOYSA-N	0	3	321.421	2.748	20	30		DFEDHN
C[C@H](NC(=O)CCc1cccc2c1OCO2)C1=CCN(C)CC1	ZINC000329993998	336103738	/nfs/dbraw/zinc/10/37/38/336103738.db2.gz	LVXGTZFNGIQENH-ZDUSSCGKSA-N	0	3	316.401	2.955	20	30		DFEDHN
CN(C)C1(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CCC1	ZINC000329995165	336104007	/nfs/dbraw/zinc/10/40/07/336104007.db2.gz	MXSYGDBUCYESOR-UWVGGRQHSA-N	0	3	321.343	2.725	20	30		DFEDHN
CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000330061407	336110371	/nfs/dbraw/zinc/11/03/71/336110371.db2.gz	OFBFOYUHJAJFTQ-BLLLJJGKSA-N	0	3	318.465	2.527	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1	ZINC000330109624	336114060	/nfs/dbraw/zinc/11/40/60/336114060.db2.gz	PKZSYSHLEUOEQV-HRCADAONSA-N	0	3	303.406	2.600	20	30		DFEDHN
CCC1CCC(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1	ZINC000330199584	336123562	/nfs/dbraw/zinc/12/35/62/336123562.db2.gz	VPRRMWHIRKRFGD-YMAMQOFZSA-N	0	3	304.438	2.918	20	30		DFEDHN
Cc1ncsc1CNC(=O)N1CCC[C@@H]1Cn1ccnc1C	ZINC000330201679	336123820	/nfs/dbraw/zinc/12/38/20/336123820.db2.gz	YDSUDAAOMAJDJP-CYBMUJFWSA-N	0	3	319.434	2.535	20	30		DFEDHN
CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330215207	336125284	/nfs/dbraw/zinc/12/52/84/336125284.db2.gz	GWICCRAWZVCADO-JKSUJKDBSA-N	0	3	324.465	2.934	20	30		DFEDHN
Cc1nc([C@H](C)NC(=O)N2CCC[C@@H]2Cn2ccnc2)cs1	ZINC000330255127	336130531	/nfs/dbraw/zinc/13/05/31/336130531.db2.gz	PMCNDCHPPNXYLN-WCQYABFASA-N	0	3	319.434	2.788	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)NC(=O)NC1CCCCC1	ZINC000330269832	336131737	/nfs/dbraw/zinc/13/17/37/336131737.db2.gz	SLCDSPVKAYHMAB-GLQYFDAESA-N	0	3	323.437	2.735	20	30		DFEDHN
O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCOc2ccccc21	ZINC000330271438	336131817	/nfs/dbraw/zinc/13/18/17/336131817.db2.gz	VYBSJYKICMFLTD-IIDMSEBBSA-N	0	3	316.401	2.624	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000331643017	336143064	/nfs/dbraw/zinc/14/30/64/336143064.db2.gz	VETJYLZXPCCLQQ-NWDGAFQWSA-N	0	3	303.431	2.888	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1	ZINC000332321204	336168327	/nfs/dbraw/zinc/16/83/27/336168327.db2.gz	QJTAJFBTJYUNSV-GUYCJALGSA-N	0	3	315.392	2.712	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1	ZINC000330360225	336180719	/nfs/dbraw/zinc/18/07/19/336180719.db2.gz	WWYIBNDYFQWBNS-PVAVHDDUSA-N	0	3	324.465	2.647	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCC(C)CC1	ZINC000333080406	336197796	/nfs/dbraw/zinc/19/77/96/336197796.db2.gz	FJNNWEGPPHVFCR-YJBOKZPZSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCC(C)CC1	ZINC000333080403	336197820	/nfs/dbraw/zinc/19/78/20/336197820.db2.gz	FJNNWEGPPHVFCR-CRAIPNDOSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@@]12CN(CC(=O)NC3(C#N)CCCCC3)C[C@H]1[C@@H]1CC[C@H]2C1	ZINC000333648568	336207649	/nfs/dbraw/zinc/20/76/49/336207649.db2.gz	DOCZCZMGFKYNAL-CVYDXHPNSA-N	0	3	315.461	2.697	20	30		DFEDHN
C=C(C)CCN1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000352407373	336216737	/nfs/dbraw/zinc/21/67/37/336216737.db2.gz	QKPJTUVXYFXLSR-MRXNPFEDSA-N	0	3	318.465	2.691	20	30		DFEDHN
C=CCN(CCc1ccco1)CCc1nnnn1-c1ccccc1	ZINC000352719503	336232364	/nfs/dbraw/zinc/23/23/64/336232364.db2.gz	HBVBGCUVERFQRP-UHFFFAOYSA-N	0	3	323.400	2.529	20	30		DFEDHN
C=CCOCCCN(C)CCc1nc(-c2ccccc2)no1	ZINC000352815169	336248408	/nfs/dbraw/zinc/24/84/08/336248408.db2.gz	KBIHUXSNKQYUQL-UHFFFAOYSA-N	0	3	301.390	2.804	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CNC1(c2ccccc2)CCOCC1	ZINC000532708827	336267816	/nfs/dbraw/zinc/26/78/16/336267816.db2.gz	MSPDFAIPHVHNML-UHFFFAOYSA-N	0	3	316.445	2.707	20	30		DFEDHN
C=CCC[C@H](NC1CCN(C(=O)COC)CC1)c1ccco1	ZINC000353392601	336415034	/nfs/dbraw/zinc/41/50/34/336415034.db2.gz	GLUUQBZINYTXCS-HNNXBMFYSA-N	0	3	306.406	2.514	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCC[C@H]2c2ccc(F)cc2)C1=O	ZINC000367156055	336428031	/nfs/dbraw/zinc/42/80/31/336428031.db2.gz	IYIHVHGFVLRBHU-BBWFWOEESA-N	0	3	302.393	2.838	20	30		DFEDHN
C=CCCC1(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CC1	ZINC000356803877	336561494	/nfs/dbraw/zinc/56/14/94/336561494.db2.gz	JBUSUVLNPJICJB-GJZGRUSLSA-N	0	3	308.491	2.771	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)N1CCC(C#N)CC1)c1ccco1	ZINC000357512818	336588489	/nfs/dbraw/zinc/58/84/89/336588489.db2.gz	BZLHOMUNUGUMSK-UKRRQHHQSA-N	0	3	318.421	2.654	20	30		DFEDHN
C=C(C)Cn1c(SC[C@H](C)N(C)C)nnc1-c1ccncc1	ZINC000358777914	336642963	/nfs/dbraw/zinc/64/29/63/336642963.db2.gz	YFUULUZORUSAAW-ZDUSSCGKSA-N	0	3	317.462	2.958	20	30		DFEDHN
C=CCOc1cccc(CNC[C@@H]2CCCN2c2cccnn2)c1	ZINC000360159823	336703356	/nfs/dbraw/zinc/70/33/56/336703356.db2.gz	VAKNLNQSRNUDNG-KRWDZBQOSA-N	0	3	324.428	2.800	20	30		DFEDHN
N#CC1(c2ccccn2)CCN([C@H]2Cc3ccccc3[C@H]2O)CC1	ZINC000369205981	336860425	/nfs/dbraw/zinc/86/04/25/336860425.db2.gz	LEZANFUNORVKOG-PKOBYXMFSA-N	0	3	319.408	2.597	20	30		DFEDHN
N#CCC[C@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1	ZINC000375179304	337005272	/nfs/dbraw/zinc/00/52/72/337005272.db2.gz	ILQBXZRKNCWXRV-KRWDZBQOSA-N	0	3	312.417	2.521	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(c3c[nH]c4ncccc34)CC2)C1=O	ZINC000375593950	337014052	/nfs/dbraw/zinc/01/40/52/337014052.db2.gz	BDLVWVWAKJDNJC-QGZVFWFLSA-N	0	3	324.428	2.529	20	30		DFEDHN
C#CCOc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1	ZINC000305120789	337014476	/nfs/dbraw/zinc/01/44/76/337014476.db2.gz	BHTAGVXIKHVBHL-FQEVSTJZSA-N	0	3	307.393	2.622	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@H](Cc3ccc(F)c(F)c3)C2)C1=O	ZINC000375612066	337014491	/nfs/dbraw/zinc/01/44/91/337014491.db2.gz	IORGPWNLAZSRGM-PBHICJAKSA-N	0	3	320.383	2.616	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000375736828	337018425	/nfs/dbraw/zinc/01/84/25/337018425.db2.gz	SJARDOZKBNSDEV-QZTJIDSGSA-N	0	3	320.477	2.835	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](CCC(N)=O)C2)c1	ZINC000122699765	337018579	/nfs/dbraw/zinc/01/85/79/337018579.db2.gz	PGXWTCAGYPYIBW-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(CCOCC2)C1	ZINC000375902123	337022743	/nfs/dbraw/zinc/02/27/43/337022743.db2.gz	MLBKUCCNKGCGRU-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000376679025	337039522	/nfs/dbraw/zinc/03/95/22/337039522.db2.gz	JWOCTSLLKMOPCG-RDJZCZTQSA-N	0	3	314.454	2.520	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000377208977	337048781	/nfs/dbraw/zinc/04/87/81/337048781.db2.gz	POICHJZOVBARBH-OAQYLSRUSA-N	0	3	322.452	2.678	20	30		DFEDHN
C#Cc1ccc(CN2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000377550408	337055172	/nfs/dbraw/zinc/05/51/72/337055172.db2.gz	PEQUELXQDBFAFB-IBGZPJMESA-N	0	3	322.452	2.892	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccccc2OC(C)C)CC1	ZINC000171716488	337088716	/nfs/dbraw/zinc/08/87/16/337088716.db2.gz	KUDAPEZMBZHSJY-UHFFFAOYSA-N	0	3	316.445	2.783	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H](OCCC)CC2)CC1	ZINC000171764673	337089175	/nfs/dbraw/zinc/08/91/75/337089175.db2.gz	VXRZOBHTDDLVFN-KRWDZBQOSA-N	0	3	323.481	2.628	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCCC2)C1	ZINC000174271119	337140151	/nfs/dbraw/zinc/14/01/51/337140151.db2.gz	HGIGXLOWOTTYFX-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCCCCCCC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000176672643	337152739	/nfs/dbraw/zinc/15/27/39/337152739.db2.gz	IWXJGBVOGSCFCR-SFHVURJKSA-N	0	3	323.525	2.975	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(N)c1)C(C)C	ZINC000178706767	337166248	/nfs/dbraw/zinc/16/62/48/337166248.db2.gz	CKTYKIPTZHCYLR-KRWDZBQOSA-N	0	3	301.434	2.697	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](C(=O)NC)C(C)C)ccc1OC	ZINC000178950412	337166672	/nfs/dbraw/zinc/16/66/72/337166672.db2.gz	PNHAEYNOQOOAIR-QGZVFWFLSA-N	0	3	320.433	2.510	20	30		DFEDHN
C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000179670377	337171044	/nfs/dbraw/zinc/17/10/44/337171044.db2.gz	GEFCPUZADPOCOO-AGRHKRQWSA-N	0	3	308.381	2.898	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(F)c(SC)c2)CC1	ZINC000179807416	337171829	/nfs/dbraw/zinc/17/18/29/337171829.db2.gz	YDJZUTFZHHVQRA-UHFFFAOYSA-N	0	3	308.422	2.928	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1cccc(Br)c1	ZINC000181246758	337180582	/nfs/dbraw/zinc/18/05/82/337180582.db2.gz	COPWOKLDSRXPCI-ZDUSSCGKSA-N	0	3	314.223	2.697	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)cc1	ZINC000182091596	337184442	/nfs/dbraw/zinc/18/44/42/337184442.db2.gz	YKIJYVNRJJOIIU-SFHVURJKSA-N	0	3	323.440	2.887	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000183280156	337192774	/nfs/dbraw/zinc/19/27/74/337192774.db2.gz	LCMMMUBPVWSVPL-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000183280179	337192816	/nfs/dbraw/zinc/19/28/16/337192816.db2.gz	LCMMMUBPVWSVPL-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN1CCC(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)CC1	ZINC000184984552	337202276	/nfs/dbraw/zinc/20/22/76/337202276.db2.gz	YPKLVVGJNODXIN-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CC#CCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000185419201	337205289	/nfs/dbraw/zinc/20/52/89/337205289.db2.gz	YQTJKPDAXAAFTP-IAGOWNOFSA-N	0	3	320.477	2.528	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000185419017	337205326	/nfs/dbraw/zinc/20/53/26/337205326.db2.gz	JACGFKQASMLRMI-YESZJQIVSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2CCCO2)CC1	ZINC000189245856	337277386	/nfs/dbraw/zinc/27/73/86/337277386.db2.gz	MMONGIXIJWGEEF-WBVHZDCISA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2csc(C(F)(F)F)n2)CC1	ZINC000193175645	337309960	/nfs/dbraw/zinc/30/99/60/337309960.db2.gz	LZHSVXAVSUZMQJ-UHFFFAOYSA-N	0	3	319.352	2.542	20	30		DFEDHN
C[C@H](CC#N)Sc1ccccc1NC[C@@H](O)CN(C)C1CC1	ZINC000583318183	337314758	/nfs/dbraw/zinc/31/47/58/337314758.db2.gz	WOXYLUNIKREORV-UKRRQHHQSA-N	0	3	319.474	2.948	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000418495127	337385571	/nfs/dbraw/zinc/38/55/71/337385571.db2.gz	AOPRRFXGEOAYPY-CXAGYDPISA-N	0	3	310.401	2.641	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@@H]2CNCCC2(F)F)CCCC1(C)C	ZINC000418749946	337395424	/nfs/dbraw/zinc/39/54/24/337395424.db2.gz	CYCWNUQSNKTSIL-OLZOCXBDSA-N	0	3	315.408	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)nn1C)C(C)C	ZINC000043433486	337411311	/nfs/dbraw/zinc/41/13/11/337411311.db2.gz	QTRFELRXJCNCTJ-HNNXBMFYSA-N	0	3	319.453	2.549	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNC[C@H](C)C(F)(F)F	ZINC000564075956	337451892	/nfs/dbraw/zinc/45/18/92/337451892.db2.gz	AZGLGGGLFKNOHT-GXTWGEPZSA-N	0	3	317.351	2.943	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1	ZINC000135893867	337453153	/nfs/dbraw/zinc/45/31/53/337453153.db2.gz	OIGWBOYKYOSTTD-QRWLVFNGSA-N	0	3	322.408	2.901	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(F)cc2)CC1	ZINC000078533148	337601624	/nfs/dbraw/zinc/60/16/24/337601624.db2.gz	MVHAXNNKDSLSTM-UHFFFAOYSA-N	0	3	305.397	2.665	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccccc2COC)CC1	ZINC000264379857	337632361	/nfs/dbraw/zinc/63/23/61/337632361.db2.gz	LEEMPFFEBQWCKV-UHFFFAOYSA-N	0	3	317.433	2.995	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCN(c2ncc[nH]2)CC1	ZINC000514704796	337678891	/nfs/dbraw/zinc/67/88/91/337678891.db2.gz	RKNMIAOKZVHJSI-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
CC(C)Oc1cccc([C@H](C)NC(=O)[C@H](N)CCCC#N)c1	ZINC000424082599	337732124	/nfs/dbraw/zinc/73/21/24/337732124.db2.gz	AFHJFOAIZLFJHL-XJKSGUPXSA-N	0	3	303.406	2.672	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1	ZINC000424093182	337733163	/nfs/dbraw/zinc/73/31/63/337733163.db2.gz	QWIIAPHXZJZFIX-CHWSQXEVSA-N	0	3	313.323	2.817	20	30		DFEDHN
CC(C)(C)c1cc(NC(=O)[C@@H](N)CCCC#N)n(C(C)(C)C)n1	ZINC000424109238	337738116	/nfs/dbraw/zinc/73/81/16/337738116.db2.gz	ZOVGLZBXGJYFSA-LBPRGKRZSA-N	0	3	319.453	2.895	20	30		DFEDHN
Cc1ccc(CNC(=O)[C@H](N)CCCC#N)c(OC(C)(C)C)c1	ZINC000424120351	337744288	/nfs/dbraw/zinc/74/42/88/337744288.db2.gz	GJYFVKTUGMGICP-OAHLLOKOSA-N	0	3	317.433	2.810	20	30		DFEDHN
CN(c1ccccc1)C1CCN(C[C@H](O)CC2(C#N)CC2)CC1	ZINC000528398390	337747802	/nfs/dbraw/zinc/74/78/02/337747802.db2.gz	OUUDWMZSJFDLSV-GOSISDBHSA-N	0	3	313.445	2.642	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](N)c2ccccc2CC)CCOCC1	ZINC000424200804	337808340	/nfs/dbraw/zinc/80/83/40/337808340.db2.gz	RIPDURDTUHOMIN-QGZVFWFLSA-N	0	3	316.445	2.738	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000424501557	337843659	/nfs/dbraw/zinc/84/36/59/337843659.db2.gz	NNPXONCNADZCJF-SQNIBIBYSA-N	0	3	316.445	2.695	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1CCN(C)C	ZINC000424526739	337849072	/nfs/dbraw/zinc/84/90/72/337849072.db2.gz	CVIIHAAWVYEZAL-WBVHZDCISA-N	0	3	302.418	2.710	20	30		DFEDHN
C=CCC1(C(=O)NCc2ccc(CN(C)C)cc2)CCOCC1	ZINC000424545140	337857588	/nfs/dbraw/zinc/85/75/88/337857588.db2.gz	QABAYDSEQAHMCD-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN(CC)CC#N)CC1	ZINC000092398896	337903762	/nfs/dbraw/zinc/90/37/62/337903762.db2.gz	PWGMNQAXKXUDTR-UHFFFAOYSA-N	0	3	300.450	2.564	20	30		DFEDHN
CC(C)c1ccccc1OC[C@@H](O)CNCC1(CC#N)CC1	ZINC000516456310	338012896	/nfs/dbraw/zinc/01/28/96/338012896.db2.gz	FYVOUMKIPJATTJ-HNNXBMFYSA-N	0	3	302.418	2.833	20	30		DFEDHN
CC1(C)c2cc(C(=O)C(C#N)c3ccccn3)ccc2NC1=O	ZINC000426167665	338021977	/nfs/dbraw/zinc/02/19/77/338021977.db2.gz	LUUGHPJOHVBFNG-LBPRGKRZSA-N	0	3	305.337	2.801	20	30		DFEDHN
CO[C@@](C)(CNC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000428269431	338044988	/nfs/dbraw/zinc/04/49/88/338044988.db2.gz	QAUSLJQGKINZCO-QAPCUYQASA-N	0	3	300.402	2.690	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](CO)CC(F)F)ccc1OC	ZINC000428640591	338057557	/nfs/dbraw/zinc/05/75/57/338057557.db2.gz	CACTYYSACGTPQV-CYBMUJFWSA-N	0	3	315.360	2.756	20	30		DFEDHN
COC(=O)C[C@@](C)(NCCCC(C)(C)C#N)c1ccccn1	ZINC000429668383	338086968	/nfs/dbraw/zinc/08/69/68/338086968.db2.gz	BHNSNPXMFVHWNY-QGZVFWFLSA-N	0	3	303.406	2.779	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)cc1C	ZINC000429708174	338087775	/nfs/dbraw/zinc/08/77/75/338087775.db2.gz	LHGWXIUNKOJNHT-UHFFFAOYSA-N	0	3	303.450	2.682	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1	ZINC000429711077	338087936	/nfs/dbraw/zinc/08/79/36/338087936.db2.gz	OGZJHVPUNOFOJD-AWEZNQCLSA-N	0	3	314.433	2.836	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cc(F)cc2c1OCOC2	ZINC000429713035	338088053	/nfs/dbraw/zinc/08/80/53/338088053.db2.gz	ULTHZCCVWJWHFN-UHFFFAOYSA-N	0	3	308.397	2.632	20	30		DFEDHN
C=CCN(CC=C)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000429720319	338088313	/nfs/dbraw/zinc/08/83/13/338088313.db2.gz	VUTYOKPYTWQERP-IBGZPJMESA-N	0	3	300.446	2.952	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nnc(-c2ccccc2)o1	ZINC000429719526	338088316	/nfs/dbraw/zinc/08/83/16/338088316.db2.gz	OJAHEFVJRNIEKR-UHFFFAOYSA-N	0	3	300.406	2.676	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1	ZINC000429720451	338088327	/nfs/dbraw/zinc/08/83/27/338088327.db2.gz	WCDSMHDALAGWFE-HNNXBMFYSA-N	0	3	321.440	2.901	20	30		DFEDHN
CN(CCCNC(=O)NCC1(CC#N)CC1)Cc1ccccc1	ZINC000430157130	338099471	/nfs/dbraw/zinc/09/94/71/338099471.db2.gz	CDQFIJYHQQMVJE-UHFFFAOYSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=CCN(CC=C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000431154736	338124376	/nfs/dbraw/zinc/12/43/76/338124376.db2.gz	YAYWSJRLDQEKPT-UHFFFAOYSA-N	0	3	317.437	2.664	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000431293937	338127533	/nfs/dbraw/zinc/12/75/33/338127533.db2.gz	GRUFJDVRRURKMV-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
CC(C)CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000433173274	338184074	/nfs/dbraw/zinc/18/40/74/338184074.db2.gz	HPFPJLJKNGKLHA-GOSISDBHSA-N	0	3	313.445	2.559	20	30		DFEDHN
CC(C)C1CCC(N(C)CC(=O)N(CCC#N)CCC#N)CC1	ZINC000433178042	338184129	/nfs/dbraw/zinc/18/41/29/338184129.db2.gz	RLLQFSNLSABBSU-UHFFFAOYSA-N	0	3	318.465	2.789	20	30		DFEDHN
C[C@H]1CC2(CCC2)CN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000433249281	338187876	/nfs/dbraw/zinc/18/78/76/338187876.db2.gz	RPBKYEXWVAAVQA-HNNXBMFYSA-N	0	3	303.450	2.936	20	30		DFEDHN
CN(CCc1ccccn1)C(=O)C(C#N)CCc1ccccc1	ZINC000433341967	338193365	/nfs/dbraw/zinc/19/33/65/338193365.db2.gz	JQQXYTBANWVFSE-KRWDZBQOSA-N	0	3	307.397	2.855	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCC[C@@H]1O	ZINC000433378173	338194350	/nfs/dbraw/zinc/19/43/50/338194350.db2.gz	PKIVWNOXOZLECF-ZIFCJYIRSA-N	0	3	314.429	2.816	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCSC(C)(C)C1	ZINC000435582948	338242710	/nfs/dbraw/zinc/24/27/10/338242710.db2.gz	HAGABRGQSWPRDB-MRXNPFEDSA-N	0	3	321.486	2.982	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]2C(C)(C)O)cc(OC)c1O	ZINC000154434498	338243180	/nfs/dbraw/zinc/24/31/80/338243180.db2.gz	VZFKZJVFTRLMCD-INIZCTEOSA-N	0	3	305.418	2.865	20	30		DFEDHN
C=CCC[C@H](NC(=O)NCCNc1ccncc1)c1ccccc1	ZINC000435765284	338248323	/nfs/dbraw/zinc/24/83/23/338248323.db2.gz	SJIFFHSLVSZSSC-SFHVURJKSA-N	0	3	324.428	2.922	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](CNC(C)=O)C1	ZINC000155583632	338293438	/nfs/dbraw/zinc/29/34/38/338293438.db2.gz	KQJNKCMLAGSNAZ-INIZCTEOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000448605608	338349186	/nfs/dbraw/zinc/34/91/86/338349186.db2.gz	LYVPRWFUCVUMNQ-SQNIBIBYSA-N	0	3	316.445	2.559	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000442644357	338426635	/nfs/dbraw/zinc/42/66/35/338426635.db2.gz	CBQDRCAIBGVWRU-WMZOPIPTSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000442644350	338426650	/nfs/dbraw/zinc/42/66/50/338426650.db2.gz	CBQDRCAIBGVWRU-AEFFLSMTSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000447587286	338559672	/nfs/dbraw/zinc/55/96/72/338559672.db2.gz	QUIOVEFZQSEJEC-ZIAGYGMSSA-N	0	3	321.417	2.916	20	30		DFEDHN
C=CC[C@H](CO)CN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000447587283	338559786	/nfs/dbraw/zinc/55/97/86/338559786.db2.gz	QUIOVEFZQSEJEC-KBPBESRZSA-N	0	3	321.417	2.916	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2CC(O)(CCC(C)(C)C)C2)CC1	ZINC000448919389	338579800	/nfs/dbraw/zinc/57/98/00/338579800.db2.gz	AMLJLXSNQOJVTG-UHFFFAOYSA-N	0	3	322.493	2.720	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)NCCC)c1nc2c(s1)CCCC2	ZINC000449162170	338598264	/nfs/dbraw/zinc/59/82/64/338598264.db2.gz	ICBUHUGTGPCXRJ-GFCCVEGCSA-N	0	3	307.463	2.929	20	30		DFEDHN
COc1ccc(CNCC2=CCOCC2)cc1OCCCC#N	ZINC000449404065	338621332	/nfs/dbraw/zinc/62/13/32/338621332.db2.gz	TWRGIEWRUBEBGQ-UHFFFAOYSA-N	0	3	316.401	2.814	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccc(CC)cc1	ZINC000451681930	338741868	/nfs/dbraw/zinc/74/18/68/338741868.db2.gz	PQRBBIBKRHFHKY-OLMNPRSZSA-N	0	3	316.445	2.749	20	30		DFEDHN
C=C(C)CCNC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000452723977	338776801	/nfs/dbraw/zinc/77/68/01/338776801.db2.gz	PGFVLCWHXASZKN-UHFFFAOYSA-N	0	3	301.434	2.525	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](C)C1(OC)CCOCC1	ZINC000453104806	338794339	/nfs/dbraw/zinc/79/43/39/338794339.db2.gz	DUZBVBAUYMOPOJ-HNNXBMFYSA-N	0	3	305.418	2.925	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1	ZINC000457534997	338968377	/nfs/dbraw/zinc/96/83/77/338968377.db2.gz	SINXMKOVGMHQDY-HNNXBMFYSA-N	0	3	302.422	2.528	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccco1	ZINC000458762740	339004949	/nfs/dbraw/zinc/00/49/49/339004949.db2.gz	IYVLACBDQHUQOR-KBPBESRZSA-N	0	3	320.437	2.900	20	30		DFEDHN
CN(C)CCN(C)C(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000458799977	339005606	/nfs/dbraw/zinc/00/56/06/339005606.db2.gz	KTLCTNFHEZCUBL-INIZCTEOSA-N	0	3	302.422	2.625	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CC(C)(C)C#N	ZINC000458945131	339009254	/nfs/dbraw/zinc/00/92/54/339009254.db2.gz	XXUHDXUNYXCWEG-HNNXBMFYSA-N	0	3	308.470	2.688	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000458990229	339010377	/nfs/dbraw/zinc/01/03/77/339010377.db2.gz	QYQHJDMFISQNHK-MRXNPFEDSA-N	0	3	319.449	2.809	20	30		DFEDHN
C=C(CC)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000459081964	339013042	/nfs/dbraw/zinc/01/30/42/339013042.db2.gz	RHGUGQZBFPQMOV-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000459259190	339018083	/nfs/dbraw/zinc/01/80/83/339018083.db2.gz	NKLBXOLOAHEXMH-OAHLLOKOSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@H](C)C1(F)F)C(C)C	ZINC000460971940	339056232	/nfs/dbraw/zinc/05/62/32/339056232.db2.gz	GLILNXMWFPHCSF-MJBXVCDLSA-N	0	3	300.393	2.702	20	30		DFEDHN
C=CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1	ZINC000463269607	339112683	/nfs/dbraw/zinc/11/26/83/339112683.db2.gz	BHOPFBRTHUPVHO-MAUKXSAKSA-N	0	3	313.445	2.867	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C	ZINC000472326009	339369790	/nfs/dbraw/zinc/36/97/90/339369790.db2.gz	ZHIRRZQZZPSSMM-WMZOPIPTSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccsc1	ZINC000479376875	339532390	/nfs/dbraw/zinc/53/23/90/339532390.db2.gz	FRRBRJGQCNKPGJ-AWEZNQCLSA-N	0	3	322.478	2.980	20	30		DFEDHN
CC#CCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000483430417	339665365	/nfs/dbraw/zinc/66/53/65/339665365.db2.gz	WASBHBQUKVIQED-UHFFFAOYSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@@H]1Oc1cccc(C)c1	ZINC000484641686	339691427	/nfs/dbraw/zinc/69/14/27/339691427.db2.gz	IQNKFHVFFOALDN-IRXDYDNUSA-N	0	3	302.418	2.577	20	30		DFEDHN
C#C[C@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1	ZINC000491351506	339858968	/nfs/dbraw/zinc/85/89/68/339858968.db2.gz	UQEPBUHLWJUIPW-HNNXBMFYSA-N	0	3	302.805	2.759	20	30		DFEDHN
C#C[C@H](NC1CCN(CCOC)CC1)c1ccc(Cl)cc1F	ZINC000491381645	339860070	/nfs/dbraw/zinc/86/00/70/339860070.db2.gz	GJHVALWMHXNLGV-KRWDZBQOSA-N	0	3	324.827	2.854	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000491615322	339868571	/nfs/dbraw/zinc/86/85/71/339868571.db2.gz	CJHHEXIOSUBPPX-BBRMVZONSA-N	0	3	319.474	2.674	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCc3c(F)cccc32)CC1	ZINC000491653377	339871307	/nfs/dbraw/zinc/87/13/07/339871307.db2.gz	NTNGAECVNIZCFZ-SFHVURJKSA-N	0	3	314.404	2.665	20	30		DFEDHN
C=CCN(CC=C)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000496217537	340000827	/nfs/dbraw/zinc/00/08/27/340000827.db2.gz	KDIYZPRSDIKBSK-MRXNPFEDSA-N	0	3	324.465	2.668	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC3(C#N)CC3)CC[C@@H]2C1	ZINC000496671097	340010270	/nfs/dbraw/zinc/01/02/70/340010270.db2.gz	FMLXMWQOAHDIMJ-GASCZTMLSA-N	0	3	319.449	2.869	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC[C@@H](C#N)CCC#N	ZINC000496702624	340010847	/nfs/dbraw/zinc/01/08/47/340010847.db2.gz	PKDQOGOFIDFDKM-RBSFLKMASA-N	0	3	320.437	2.665	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CCC(CC#N)CC2)C1	ZINC000496736610	340011646	/nfs/dbraw/zinc/01/16/46/340011646.db2.gz	BUXPIMUMYQPRFN-CRAIPNDOSA-N	0	3	319.449	2.869	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC=C(CN[C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000497039126	340018860	/nfs/dbraw/zinc/01/88/60/340018860.db2.gz	SVSCLIPFFSHNQM-HUUCEWRRSA-N	0	3	305.422	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C/c2cccc(F)c2)CC1	ZINC000176522932	340428209	/nfs/dbraw/zinc/42/82/09/340428209.db2.gz	LTTIUIKTJNZUJC-GQCTYLIASA-N	0	3	302.393	2.996	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1ccc2nccnc2n1)C(C)C	ZINC000521707358	340529526	/nfs/dbraw/zinc/52/95/26/340529526.db2.gz	OAXNENWPTPCNKZ-MRXNPFEDSA-N	0	3	311.433	2.509	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCC#Cc1ccc(F)cc1	ZINC000539478474	340886544	/nfs/dbraw/zinc/88/65/44/340886544.db2.gz	BPOZRQJSXGXPRI-AEFFLSMTSA-N	0	3	303.377	2.889	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1ccncn1	ZINC000544815955	341094533	/nfs/dbraw/zinc/09/45/33/341094533.db2.gz	LZEXCAAVCLQSHX-CQSZACIVSA-N	0	3	308.341	2.683	20	30		DFEDHN
N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccncn1	ZINC000546153621	341154974	/nfs/dbraw/zinc/15/49/74/341154974.db2.gz	OSLUXVZWUUZVMD-SECBINFHSA-N	0	3	313.267	2.781	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCCSCC#N	ZINC000074991852	341159239	/nfs/dbraw/zinc/15/92/39/341159239.db2.gz	UPPNXJTUAZZADF-ZDUSSCGKSA-N	0	3	313.467	2.622	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C)cc2OC)CC1	ZINC000548036578	341244136	/nfs/dbraw/zinc/24/41/36/341244136.db2.gz	PQDBVVLETFBHFI-UHFFFAOYSA-N	0	3	302.418	2.774	20	30		DFEDHN
CCN(CCNC(=O)c1cccc(SCC#N)c1)C1CC1	ZINC000079539614	341261001	/nfs/dbraw/zinc/26/10/01/341261001.db2.gz	UIRMTZZXCYXPQG-UHFFFAOYSA-N	0	3	303.431	2.516	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC000246503468	341350985	/nfs/dbraw/zinc/35/09/85/341350985.db2.gz	BBVDFUJIXJDNCB-IEBWSBKVSA-N	0	3	315.461	2.994	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000552006552	341359635	/nfs/dbraw/zinc/35/96/35/341359635.db2.gz	SWNAINOXNBKOKW-AUUXXJPVSA-N	0	3	323.506	2.647	20	30		DFEDHN
C=CC[C@@H](C(=O)NC[C@H]1CCCN1CCOC)c1ccccc1	ZINC000249536285	341399001	/nfs/dbraw/zinc/39/90/01/341399001.db2.gz	CMOFGIFXWXKHJK-QZTJIDSGSA-N	0	3	316.445	2.573	20	30		DFEDHN
COc1cccc(N2CC[C@H](CNC[C@@H](C#N)CCC#N)C2)c1	ZINC000565358298	341525103	/nfs/dbraw/zinc/52/51/03/341525103.db2.gz	QYWVWWRQLHFXPO-HZPDHXFCSA-N	0	3	312.417	2.555	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1	ZINC000172515849	341800579	/nfs/dbraw/zinc/80/05/79/341800579.db2.gz	SFEFTIIQFKCMSC-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1	ZINC000577098791	341885746	/nfs/dbraw/zinc/88/57/46/341885746.db2.gz	IUIIITIZIVLVBN-BFHYXJOUSA-N	0	3	308.809	2.670	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CNCC=C(C)C)c(OC)c1	ZINC000578007243	341969010	/nfs/dbraw/zinc/96/90/10/341969010.db2.gz	HGQKCCVHJWPSCB-MRXNPFEDSA-N	0	3	305.418	2.719	20	30		DFEDHN
C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(C#N)cc1	ZINC000181473820	500888631	/nfs/dbraw/zinc/88/86/31/500888631.db2.gz	IVBQKCXWTMQAJT-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000302370196	533825035	/nfs/dbraw/zinc/82/50/35/533825035.db2.gz	GPGIDCSZHINXEP-LBPRGKRZSA-N	0	3	303.366	2.538	20	30		DFEDHN
CN(C)Cc1cccc(NCc2cnc3ccc(C#N)cn23)c1	ZINC000156536675	521930354	/nfs/dbraw/zinc/93/03/54/521930354.db2.gz	RBUDNPFRKFYFBE-UHFFFAOYSA-N	0	3	305.385	2.880	20	30		DFEDHN
COc1cc(O)c(CN(C)Cc2cccc(C#N)c2)cc1OC	ZINC000158854364	522774587	/nfs/dbraw/zinc/77/45/87/522774587.db2.gz	SYPRKBZQXCPDJL-UHFFFAOYSA-N	0	3	312.369	2.913	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCCCN2Cc2ccccc2)nn1	ZINC000301958005	534795384	/nfs/dbraw/zinc/79/53/84/534795384.db2.gz	GIYIXGZUQASFMP-KRWDZBQOSA-N	0	3	307.401	2.815	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H]1O	ZINC000330695601	526671701	/nfs/dbraw/zinc/67/17/01/526671701.db2.gz	DHTZOXVHNOYPEZ-HZPDHXFCSA-N	0	3	302.418	2.666	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@H](Oc3ccccc3)C2)cc1	ZINC000363840668	526689770	/nfs/dbraw/zinc/68/97/70/526689770.db2.gz	FUCFJZNJIVHQLB-RBUKOAKNSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1ncn(C2CCN(Cc3ccc(C(F)F)cc3)CC2)n1	ZINC000366385833	526796748	/nfs/dbraw/zinc/79/67/48/526796748.db2.gz	WYIPPVCZDPCEST-UHFFFAOYSA-N	0	3	317.343	2.924	20	30		DFEDHN
COc1cc(C#N)ccc1CN(CCO)CC1CCCCC1	ZINC000362604976	536877648	/nfs/dbraw/zinc/87/76/48/536877648.db2.gz	YRRAGIRETQUHNX-UHFFFAOYSA-N	0	3	302.418	2.941	20	30		DFEDHN
C=CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1	ZINC000681054096	545589525	/nfs/dbraw/zinc/58/95/25/545589525.db2.gz	HOBDVRWRMXTGBA-DLBZAZTESA-N	0	3	324.852	2.504	20	30		DFEDHN
CC#CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000681519425	545661219	/nfs/dbraw/zinc/66/12/19/545661219.db2.gz	OLPAIUVDDZZBHC-GOSISDBHSA-N	0	3	313.445	2.926	20	30		DFEDHN
C=C(C)CNC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000681659652	545693885	/nfs/dbraw/zinc/69/38/85/545693885.db2.gz	AOKWUADOERPSQF-UHFFFAOYSA-N	0	3	301.434	2.788	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000682358807	545828918	/nfs/dbraw/zinc/82/89/18/545828918.db2.gz	MZDVPPJSUNVNQV-GOSISDBHSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC(C(C)C)C2)c(OC)c1	ZINC000684607098	546251827	/nfs/dbraw/zinc/25/18/27/546251827.db2.gz	VMGJUMFVMFOGTH-KRWDZBQOSA-N	0	3	319.445	2.751	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C(C)C)nn(C)c1N(C)C	ZINC000684767820	546276898	/nfs/dbraw/zinc/27/68/98/546276898.db2.gz	TYBSWNRGWNNMKQ-YOEHRIQHSA-N	0	3	320.481	2.680	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000684987817	546314012	/nfs/dbraw/zinc/31/40/12/546314012.db2.gz	MCPNWMATWMEHBC-SJORKVTESA-N	0	3	301.434	2.765	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CCCN(CC)CC1	ZINC000685550271	546366149	/nfs/dbraw/zinc/36/61/49/546366149.db2.gz	FHPGVMWNFIFBEW-UHFFFAOYSA-N	0	3	303.454	2.654	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823894440	608285851	/nfs/dbraw/zinc/28/58/51/608285851.db2.gz	QIEHGNAASPIQCZ-ZDUSSCGKSA-N	0	3	301.394	2.710	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823894440	608285853	/nfs/dbraw/zinc/28/58/53/608285853.db2.gz	QIEHGNAASPIQCZ-ZDUSSCGKSA-N	0	3	301.394	2.710	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000824612181	608460932	/nfs/dbraw/zinc/46/09/32/608460932.db2.gz	KLGFBIUWCWVUKP-NSHDSACASA-N	0	3	322.347	2.728	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)c1c[nH]c(C#N)c1	ZINC000181255511	199272777	/nfs/dbraw/zinc/27/27/77/199272777.db2.gz	RNZZVPHWGSXJAJ-UHFFFAOYSA-N	0	3	324.428	2.523	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000278621592	214280344	/nfs/dbraw/zinc/28/03/44/214280344.db2.gz	JYASEGQIEPSSNU-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCCCCO	ZINC000278756505	214377894	/nfs/dbraw/zinc/37/78/94/214377894.db2.gz	BGTZYIYECSGNET-OAHLLOKOSA-N	0	3	324.490	2.746	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1	ZINC000596186278	398351774	/nfs/dbraw/zinc/35/17/74/398351774.db2.gz	PMUXUVXYIRJXRA-MRXNPFEDSA-N	0	3	314.433	2.577	20	30		DFEDHN
CCOc1ccc(N(CCC#N)C(=O)CN(C)CC(C)C)cc1	ZINC000065961956	398353169	/nfs/dbraw/zinc/35/31/69/398353169.db2.gz	XUIXCWWQYXHPMA-UHFFFAOYSA-N	0	3	317.433	2.920	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000596199710	398355150	/nfs/dbraw/zinc/35/51/50/398355150.db2.gz	GGQNRDLLNCVRCX-GOSISDBHSA-N	0	3	309.417	2.758	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1Cl	ZINC000066158132	398359879	/nfs/dbraw/zinc/35/98/79/398359879.db2.gz	SICVEVVRCADINS-AWEZNQCLSA-N	0	3	318.808	2.914	20	30		DFEDHN
CC(C)c1[nH]ccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000578136149	398370887	/nfs/dbraw/zinc/37/08/87/398370887.db2.gz	BMBGZBBPSZKKPL-ZDUSSCGKSA-N	0	3	311.389	2.946	20	30		DFEDHN
CC(C)[C@H](NCC(=O)NCC#N)c1ccc(C(C)(C)C)cc1	ZINC000066473688	398380466	/nfs/dbraw/zinc/38/04/66/398380466.db2.gz	DRMRFYVHUZVDBD-KRWDZBQOSA-N	0	3	301.434	2.911	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC(C)C)cc2)CC1	ZINC000592070420	398379192	/nfs/dbraw/zinc/37/91/92/398379192.db2.gz	VOCQBJNPKKPIFE-UHFFFAOYSA-N	0	3	302.418	2.854	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c(OCC)c2)CC1	ZINC000066524986	398382060	/nfs/dbraw/zinc/38/20/60/398382060.db2.gz	NVNRYFIOSVZZQD-UHFFFAOYSA-N	0	3	300.402	2.677	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCC1(c2ccc(F)cc2)CCOCC1	ZINC000066484001	398381379	/nfs/dbraw/zinc/38/13/79/398381379.db2.gz	JKPCTZJQFLOQRC-HNNXBMFYSA-N	0	3	315.392	2.907	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@H]1Cc1ccccc1	ZINC000272829275	210226550	/nfs/dbraw/zinc/22/65/50/210226550.db2.gz	HGZQBNKZCLMZBT-IRXDYDNUSA-N	0	3	307.459	2.588	20	30		DFEDHN
CSc1ccc(OC[C@H](O)CNCC(C)(C)CC#N)cc1	ZINC000581246749	398389255	/nfs/dbraw/zinc/38/92/55/398389255.db2.gz	FMGXJYIFUFTYEJ-CYBMUJFWSA-N	0	3	308.447	2.678	20	30		DFEDHN
N#CCCCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1	ZINC000592144404	398391579	/nfs/dbraw/zinc/39/15/79/398391579.db2.gz	BWWXAAOTRHMCBR-ZDUSSCGKSA-N	0	3	302.296	2.902	20	30		DFEDHN
N#CC[C@@]1(O)CCN(CCn2ccc3cc(Cl)ccc32)C1	ZINC000592152803	398392505	/nfs/dbraw/zinc/39/25/05/398392505.db2.gz	DSPHKVYXDJULAJ-MRXNPFEDSA-N	0	3	303.793	2.645	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](C(=O)NCc3ccccc3)C2)cc1	ZINC000592154836	398394041	/nfs/dbraw/zinc/39/40/41/398394041.db2.gz	YLWMCNHCHKJLSE-IBGZPJMESA-N	0	3	319.408	2.697	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2OC)[C@@H]1SC	ZINC000592172690	398396319	/nfs/dbraw/zinc/39/63/19/398396319.db2.gz	ITQOXTNNLLEDCW-BMFZPTHFSA-N	0	3	306.431	2.565	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000247323063	398400666	/nfs/dbraw/zinc/40/06/66/398400666.db2.gz	ITFTWKDVMBUAEG-CABCVRRESA-N	0	3	312.454	2.645	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)cc1F)CC2	ZINC000332653988	529751619	/nfs/dbraw/zinc/75/16/19/529751619.db2.gz	NZJWASMJUIDNHJ-DGCLKSJQSA-N	0	3	313.380	2.517	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](C)CC(C)(C)c1ccccc1	ZINC000272807209	210208808	/nfs/dbraw/zinc/20/88/08/210208808.db2.gz	CNWCEBJIJUGDOV-OAHLLOKOSA-N	0	3	309.475	2.933	20	30		DFEDHN
COc1ccc(C[C@@H](C)CNC[C@@H](C#N)CCC#N)cc1OC	ZINC000584734681	398405688	/nfs/dbraw/zinc/40/56/88/398405688.db2.gz	GNSKMHVAADLDOY-GDBMZVCRSA-N	0	3	315.417	2.916	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(-c3ccccc3)o2)CC1	ZINC000066920515	398407109	/nfs/dbraw/zinc/40/71/09/398407109.db2.gz	QEHYVMAAQFIVJN-UHFFFAOYSA-N	0	3	322.408	2.908	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(C#N)cc1OC)[C@@H]1CCN(C)C1	ZINC000592252165	398408012	/nfs/dbraw/zinc/40/80/12/398408012.db2.gz	UDOORDDELSFIMO-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
N#Cc1cccc(NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000596441778	398412821	/nfs/dbraw/zinc/41/28/21/398412821.db2.gz	QBJWWRHLVNEJKX-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)NC[C@H]3CCCCN3C3CC3)CC2)c1	ZINC000584873326	398423671	/nfs/dbraw/zinc/42/36/71/398423671.db2.gz	OAEHAGFBFCWNBS-GOSISDBHSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1	ZINC000067230388	398423835	/nfs/dbraw/zinc/42/38/35/398423835.db2.gz	MCKFTDQGABNJCT-UHFFFAOYSA-N	0	3	310.401	2.552	20	30		DFEDHN
CN(CCN(C)C1CC1)c1ccc(Br)cc1C#N	ZINC000302285819	529903107	/nfs/dbraw/zinc/90/31/07/529903107.db2.gz	VOSVFVHULXDVRO-UHFFFAOYSA-N	0	3	308.223	2.851	20	30		DFEDHN
CC1(C)CN(C[C@H]2CNc3c(C#N)cnn3C2)[C@@H]1c1ccccc1	ZINC000592499893	398434531	/nfs/dbraw/zinc/43/45/31/398434531.db2.gz	CBJRUFHCBZWISK-RHSMWYFYSA-N	0	3	321.428	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3ccc(C)cc32)CC1	ZINC000592526836	398442778	/nfs/dbraw/zinc/44/27/78/398442778.db2.gz	MGSHMPPAJZKXNX-GOSISDBHSA-N	0	3	313.445	2.932	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3ccc(F)cc32)CC1	ZINC000592526847	398443155	/nfs/dbraw/zinc/44/31/55/398443155.db2.gz	PERUIMWOAOQFMV-QGZVFWFLSA-N	0	3	317.408	2.763	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000026207593	398450530	/nfs/dbraw/zinc/45/05/30/398450530.db2.gz	BQSOCQNUIQBSTL-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596617594	398462048	/nfs/dbraw/zinc/46/20/48/398462048.db2.gz	UVPBAOIDHDJEGT-IXDOHACOSA-N	0	3	320.481	2.878	20	30		DFEDHN
N#Cc1cnc2ccccc2c1NC1CCN([C@@H]2CCOC2)CC1	ZINC000089602804	398459240	/nfs/dbraw/zinc/45/92/40/398459240.db2.gz	OQMNAFDKINVDTF-MRXNPFEDSA-N	0	3	322.412	2.772	20	30		DFEDHN
N#Cc1cccc(Cl)c1NC1CCN([C@@H]2CCOC2)CC1	ZINC000089603306	398459430	/nfs/dbraw/zinc/45/94/30/398459430.db2.gz	BNWPUQCPAHXPLI-CQSZACIVSA-N	0	3	305.809	2.877	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@@H](O)COCc1cccs1	ZINC000027207979	398460338	/nfs/dbraw/zinc/46/03/38/398460338.db2.gz	ZKMRUQWNWYWAFE-MRXNPFEDSA-N	0	3	316.426	2.629	20	30		DFEDHN
COc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1C#N	ZINC000596639393	398468719	/nfs/dbraw/zinc/46/87/19/398468719.db2.gz	PNYXNVACFBSQPT-UHFFFAOYSA-N	0	3	321.424	2.981	20	30		DFEDHN
C=CCOc1ccccc1CNc1cnn(CCN(C)C)c1	ZINC000596664311	398474969	/nfs/dbraw/zinc/47/49/69/398474969.db2.gz	WBQOQGBZJMDZLE-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1	ZINC000068132809	398481349	/nfs/dbraw/zinc/48/13/49/398481349.db2.gz	OTYSPBRCRXDPSM-GOSISDBHSA-N	0	3	311.429	2.843	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)[C@H](C)CC#N)c1cccc(OC)c1	ZINC000596711258	398483274	/nfs/dbraw/zinc/48/32/74/398483274.db2.gz	RDYQOMNJIUAHRL-PBHICJAKSA-N	0	3	317.433	2.744	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000596725708	398486938	/nfs/dbraw/zinc/48/69/38/398486938.db2.gz	MYRKMSMAJINYLX-ZDUSSCGKSA-N	0	3	304.369	2.692	20	30		DFEDHN
CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCN(C)C1	ZINC000592829785	398491962	/nfs/dbraw/zinc/49/19/62/398491962.db2.gz	YTSGGSLVQWZNDT-FGTMMUONSA-N	0	3	311.429	2.604	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C#N)CCN(C2CCC2)C1	ZINC000596754742	398493394	/nfs/dbraw/zinc/49/33/94/398493394.db2.gz	AEANHHMDUIOUET-UXLLHSPISA-N	0	3	318.465	2.585	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1	ZINC000068310659	398493552	/nfs/dbraw/zinc/49/35/52/398493552.db2.gz	POERGQGWPHDADB-UHFFFAOYSA-N	0	3	321.424	2.691	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000596773635	398499018	/nfs/dbraw/zinc/49/90/18/398499018.db2.gz	YGMVBXZAZTXACG-BBWFWOEESA-N	0	3	318.465	2.729	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1F	ZINC000305284709	398506050	/nfs/dbraw/zinc/50/60/50/398506050.db2.gz	DGPXLCYRQJWKCL-INIZCTEOSA-N	0	3	314.360	2.569	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CCNC1	ZINC000592958769	398511533	/nfs/dbraw/zinc/51/15/33/398511533.db2.gz	JHRSDHTZRXJGGO-SFHVURJKSA-N	0	3	312.417	2.873	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1N1CCCCC1	ZINC000592958809	398512023	/nfs/dbraw/zinc/51/20/23/398512023.db2.gz	KUCHMULZQRFQHG-CQSZACIVSA-N	0	3	318.396	2.776	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@@H](C)N(C)Cc2ccccc2)n1	ZINC000308173173	398512510	/nfs/dbraw/zinc/51/25/10/398512510.db2.gz	XAXZBNCLLYWNIM-CQSZACIVSA-N	0	3	309.417	2.843	20	30		DFEDHN
CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCN(CC)C1	ZINC000596926000	398530030	/nfs/dbraw/zinc/53/00/30/398530030.db2.gz	OWFANUMMDAIALN-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
CC(C)CCN(CCC#N)C[C@@H]1CCO[C@H]1c1nccn1C	ZINC000596994995	398542203	/nfs/dbraw/zinc/54/22/03/398542203.db2.gz	HCBKIIUONCLHBK-JKSUJKDBSA-N	0	3	304.438	2.759	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3ccccn3)C1)CC2	ZINC000589343584	398547448	/nfs/dbraw/zinc/54/74/48/398547448.db2.gz	FYRXGCAVESUUMZ-AEFFLSMTSA-N	0	3	304.397	2.809	20	30		DFEDHN
C[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)c(F)c1	ZINC000589344866	398547545	/nfs/dbraw/zinc/54/75/45/398547545.db2.gz	UVZHAHHJAWOMPK-GFCCVEGCSA-N	0	3	311.360	2.576	20	30		DFEDHN
COCCOC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597017213	398548900	/nfs/dbraw/zinc/54/89/00/398548900.db2.gz	UIOVKBSMNTWBMD-UHFFFAOYSA-N	0	3	314.429	2.869	20	30		DFEDHN
C=CCc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)cc(OC)c1O	ZINC000091899162	398549043	/nfs/dbraw/zinc/54/90/43/398549043.db2.gz	WXRUJLWVQMBYIJ-HOTGVXAUSA-N	0	3	305.418	2.722	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(CC2(F)F)C1	ZINC000593114870	398549533	/nfs/dbraw/zinc/54/95/33/398549533.db2.gz	HAVJNSRIEZAULH-CYBMUJFWSA-N	0	3	311.357	2.679	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCc3ccccc32)cc1	ZINC000322027040	398555453	/nfs/dbraw/zinc/55/54/53/398555453.db2.gz	WFLCZWXSGKYMHF-VQIMIIECSA-N	0	3	308.381	2.575	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NCCCN1CCc2ccccc2C1	ZINC000069345088	398565534	/nfs/dbraw/zinc/56/55/34/398565534.db2.gz	XHIRICZWFAALED-INIZCTEOSA-N	0	3	316.445	2.532	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cnccn1	ZINC000593183773	398566604	/nfs/dbraw/zinc/56/66/04/398566604.db2.gz	JIRHESZEAWSIHI-HNNXBMFYSA-N	0	3	321.428	2.663	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)Cc1ccccc1C(F)(F)F	ZINC000280948704	334967623	/nfs/dbraw/zinc/96/76/23/334967623.db2.gz	TVIGDNHUOYQGIH-NSHDSACASA-N	0	3	300.324	2.528	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)C3CCCCC3)CC2)C1	ZINC000332748644	398570733	/nfs/dbraw/zinc/57/07/33/398570733.db2.gz	WQLOWZILBIUSOQ-YOEHRIQHSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1ncsc1-c1ccc(CN2CC[C@](O)(CC#N)C2)cc1	ZINC000597154614	398577759	/nfs/dbraw/zinc/57/77/59/398577759.db2.gz	BOJREXVHSIZQTR-QGZVFWFLSA-N	0	3	313.426	2.969	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)C(C)(C)C#N)c1cccc(OC)c1	ZINC000042127804	398584042	/nfs/dbraw/zinc/58/40/42/398584042.db2.gz	VALRNKJUOLPLHH-MRXNPFEDSA-N	0	3	317.433	2.744	20	30		DFEDHN
CN1C[C@@H]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000590052700	398592480	/nfs/dbraw/zinc/59/24/80/398592480.db2.gz	GSPKMHKFOBHQMZ-DZGCQCFKSA-N	0	3	309.335	2.713	20	30		DFEDHN
CN1C[C@H]2[C@@H](CCN2Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000590052703	398592622	/nfs/dbraw/zinc/59/26/22/398592622.db2.gz	GSPKMHKFOBHQMZ-ZFWWWQNUSA-N	0	3	309.335	2.713	20	30		DFEDHN
CC(C)C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N(C)C	ZINC000597219612	398593987	/nfs/dbraw/zinc/59/39/87/398593987.db2.gz	FCQFRRDNFXRTMJ-GFCCVEGCSA-N	0	3	309.360	2.543	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)CC2(C#N)CC2)cc1Cl	ZINC000590258966	398608009	/nfs/dbraw/zinc/60/80/09/398608009.db2.gz	QAXAEQZUOKGDRS-UHFFFAOYSA-N	0	3	321.808	2.913	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nccs1	ZINC000093404724	398636803	/nfs/dbraw/zinc/63/68/03/398636803.db2.gz	AWKQXWWBNAGRJQ-LBPRGKRZSA-N	0	3	313.430	2.729	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(Cc3cccc(N)c3)CC2)cc1	ZINC000590602524	398638895	/nfs/dbraw/zinc/63/88/95/398638895.db2.gz	KLDXKBDLMCTMPH-UHFFFAOYSA-N	0	3	320.440	2.848	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)c(F)c1	ZINC000177856747	186194011	/nfs/dbraw/zinc/19/40/11/186194011.db2.gz	NHAQDZTWYCZDEX-UHFFFAOYSA-N	0	3	315.314	2.814	20	30		DFEDHN
C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)N(C)C	ZINC000590621825	398640334	/nfs/dbraw/zinc/64/03/34/398640334.db2.gz	UQWFENLKFLCBON-MRVPVSSYSA-N	0	3	300.189	2.545	20	30		DFEDHN
CCO[C@H]1COCC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000362015748	398642457	/nfs/dbraw/zinc/64/24/57/398642457.db2.gz	OPTAVEBBLQQLOQ-IRXDYDNUSA-N	0	3	302.418	2.771	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1(C#N)CC12CCCC2	ZINC000590631079	398641755	/nfs/dbraw/zinc/64/17/55/398641755.db2.gz	MJOBCIODSYMGEF-RVKKMQEKSA-N	0	3	301.434	2.546	20	30		DFEDHN
COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000590657280	398646598	/nfs/dbraw/zinc/64/65/98/398646598.db2.gz	BEFMHNSDUCLSJJ-SJORKVTESA-N	0	3	316.401	2.800	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1	ZINC000093870134	398649248	/nfs/dbraw/zinc/64/92/48/398649248.db2.gz	RRRIOUZLHHVISL-DOTOQJQBSA-N	0	3	324.428	2.776	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1	ZINC000590705725	398656076	/nfs/dbraw/zinc/65/60/76/398656076.db2.gz	JZOJGXMBBHRWMA-SJLPKXTDSA-N	0	3	303.450	2.936	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nnc(C(C)(C)C)s2)CC1	ZINC000171737685	197977000	/nfs/dbraw/zinc/97/70/00/197977000.db2.gz	VMTRHXWJZKZZFQ-UHFFFAOYSA-N	0	3	323.466	2.608	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)Cc1ccccc1	ZINC000044868409	398656569	/nfs/dbraw/zinc/65/65/69/398656569.db2.gz	XGWOGISAWQDDEM-LJQANCHMSA-N	0	3	321.424	2.655	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccc3c(c2)OCCO3)cc1	ZINC000172111944	198041139	/nfs/dbraw/zinc/04/11/39/198041139.db2.gz	WZIZIWVAZHVCPL-UHFFFAOYSA-N	0	3	309.365	2.760	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1	ZINC000277206354	213366133	/nfs/dbraw/zinc/36/61/33/213366133.db2.gz	QEXLPQFBJIHLGJ-GOSISDBHSA-N	0	3	322.412	2.656	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)CCc3ccccc32)c(F)c1	ZINC000593652875	398666205	/nfs/dbraw/zinc/66/62/05/398666205.db2.gz	NZCFMJXQYDXXHY-LJQANCHMSA-N	0	3	310.372	2.663	20	30		DFEDHN
C[C@H]1CSCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172593335	198120430	/nfs/dbraw/zinc/12/04/30/198120430.db2.gz	DSJVTLJLDQHIRN-NSHDSACASA-N	0	3	323.849	2.978	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C#N)CCc1ccccc1	ZINC000597603156	398667362	/nfs/dbraw/zinc/66/73/62/398667362.db2.gz	ABXZWLUJKKPGLS-MSOLQXFVSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(Cl)cc1	ZINC000593668825	398668596	/nfs/dbraw/zinc/66/85/96/398668596.db2.gz	GWXZLGSCIXCLMQ-ZWNOBZJWSA-N	0	3	308.765	2.610	20	30		DFEDHN
Cc1noc(C)c1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593687654	398671609	/nfs/dbraw/zinc/67/16/09/398671609.db2.gz	LDLAIBKKODVMPR-UHFFFAOYSA-N	0	3	324.428	2.917	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@@H](C(=O)OC)[C@H](C2CC2)C1	ZINC000593696170	398673313	/nfs/dbraw/zinc/67/33/13/398673313.db2.gz	FFNXZQQUSUTWBG-DLBZAZTESA-N	0	3	315.413	2.882	20	30		DFEDHN
C[C@H](CC#N)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000597646912	398673674	/nfs/dbraw/zinc/67/36/74/398673674.db2.gz	HKBLKCRAMVJDBO-VQIMIIECSA-N	0	3	311.429	2.661	20	30		DFEDHN
CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000391005469	398674730	/nfs/dbraw/zinc/67/47/30/398674730.db2.gz	WNDOVMRMBTZWCE-SJORKVTESA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1cnn(C)c1	ZINC000593719310	398677028	/nfs/dbraw/zinc/67/70/28/398677028.db2.gz	BMOYTKHXRRYBER-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)c2ccccc2F)CC1	ZINC000102396938	398677461	/nfs/dbraw/zinc/67/74/61/398677461.db2.gz	KFVBBKJFIBYQNB-UHFFFAOYSA-N	0	3	303.381	2.667	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000593729127	398677846	/nfs/dbraw/zinc/67/78/46/398677846.db2.gz	NXECUGCNPIKIDP-SWLSCSKDSA-N	0	3	305.447	2.677	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1=O	ZINC000281199973	334977368	/nfs/dbraw/zinc/97/73/68/334977368.db2.gz	CKJVSPXDRRYTQF-PMPSAXMXSA-N	0	3	320.820	2.547	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1	ZINC000597706599	398683658	/nfs/dbraw/zinc/68/36/58/398683658.db2.gz	XQHCUFAJUFKGRL-IUODEOHRSA-N	0	3	305.447	2.677	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000173473045	198218256	/nfs/dbraw/zinc/21/82/56/198218256.db2.gz	ZZUQKWQICFOVER-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)N(C)C1CC1	ZINC000105264613	398692738	/nfs/dbraw/zinc/69/27/38/398692738.db2.gz	RZKKLZCWYURUPK-INIZCTEOSA-N	0	3	315.461	2.909	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(C#N)c(C)c1	ZINC000332000889	234371543	/nfs/dbraw/zinc/37/15/43/234371543.db2.gz	MZJDWNJGWTTXJH-HKUYNNGSSA-N	0	3	324.428	2.837	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ncc(CC)s2)CC1	ZINC000174234617	198309313	/nfs/dbraw/zinc/30/93/13/198309313.db2.gz	ULNYAYVAPAEFHU-UHFFFAOYSA-N	0	3	308.451	2.868	20	30		DFEDHN
COc1cccc(N2CC[C@H](CNCc3ccc(C#N)o3)C2)c1	ZINC000174336619	198321350	/nfs/dbraw/zinc/32/13/50/198321350.db2.gz	KJFDXNODWHHVMI-CQSZACIVSA-N	0	3	311.385	2.776	20	30		DFEDHN
COc1cccc(N2CCC[C@H](NCc3ccc(C#N)o3)C2)c1	ZINC000174406096	198330547	/nfs/dbraw/zinc/33/05/47/198330547.db2.gz	TXCGVSDGLYPBEE-AWEZNQCLSA-N	0	3	311.385	2.918	20	30		DFEDHN
COC1CC(CCNC(=O)C(C#N)CCc2ccccc2)C1	ZINC000597861416	398706508	/nfs/dbraw/zinc/70/65/08/398706508.db2.gz	LVRDXNLLDQWCQY-AQFXKWCLSA-N	0	3	300.402	2.690	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000597889490	398713779	/nfs/dbraw/zinc/71/37/79/398713779.db2.gz	IPHPEBGUNKCMIS-IBGZPJMESA-N	0	3	321.424	2.910	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000593990786	398715342	/nfs/dbraw/zinc/71/53/42/398715342.db2.gz	RDEBIMLJJWPVKI-VKJFTORMSA-N	0	3	313.445	2.582	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000593990785	398715414	/nfs/dbraw/zinc/71/54/14/398715414.db2.gz	RDEBIMLJJWPVKI-RVKKMQEKSA-N	0	3	313.445	2.582	20	30		DFEDHN
CC(C)N(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC(=O)N1	ZINC000591056105	398719419	/nfs/dbraw/zinc/71/94/19/398719419.db2.gz	BHYWHCISLPSUMW-QGZVFWFLSA-N	0	3	313.445	2.977	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN(C)Cc1cccc(C#N)c1	ZINC000046835887	398720067	/nfs/dbraw/zinc/72/00/67/398720067.db2.gz	XGCJACBDVUKORW-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(C#N)cc1	ZINC000046835917	398720237	/nfs/dbraw/zinc/72/02/37/398720237.db2.gz	CTTBVGBCLPUCOT-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C3CCC3)C2)cc1	ZINC000591127080	398729744	/nfs/dbraw/zinc/72/97/44/398729744.db2.gz	ZUNZXNLXOACVGX-ZWKOTPCHSA-N	0	3	307.397	2.889	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCCO1	ZINC000594042979	398729826	/nfs/dbraw/zinc/72/98/26/398729826.db2.gz	KZZDQKPBINPCPI-CABCVRRESA-N	0	3	319.405	2.644	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594044386	398730420	/nfs/dbraw/zinc/73/04/20/398730420.db2.gz	PIIUKUSHWNJIHO-QAPCUYQASA-N	0	3	313.445	2.678	20	30		DFEDHN
Cc1ccncc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000597978435	398731615	/nfs/dbraw/zinc/73/16/15/398731615.db2.gz	QKIXSXHUJAJMAB-QGZVFWFLSA-N	0	3	307.397	2.821	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1	ZINC000047010802	398732801	/nfs/dbraw/zinc/73/28/01/398732801.db2.gz	FMPHAZJOQKUUOX-UHFFFAOYSA-N	0	3	307.397	2.762	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)cc1OC)C(C)C	ZINC000594055194	398733778	/nfs/dbraw/zinc/73/37/78/398733778.db2.gz	XEDWTFZRYFGEHX-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@H]2CCC[C@H](C)C2)CC1	ZINC000112636552	398735068	/nfs/dbraw/zinc/73/50/68/398735068.db2.gz	KVVYTPUAFPNXKU-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
N#Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccc1F	ZINC000594070378	398736898	/nfs/dbraw/zinc/73/68/98/398736898.db2.gz	YZLCXHGZRWPVMP-HOTGVXAUSA-N	0	3	316.380	2.836	20	30		DFEDHN
CC1(C(=O)N2CC(CC#N)C2)CCN(Cc2ccccc2)CC1	ZINC000598030507	398740413	/nfs/dbraw/zinc/74/04/13/398740413.db2.gz	PQGMVNSWSCVTAW-UHFFFAOYSA-N	0	3	311.429	2.661	20	30		DFEDHN
N#Cc1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1F	ZINC000372303642	283093156	/nfs/dbraw/zinc/09/31/56/283093156.db2.gz	YNVOAOBVASWHHC-IBGZPJMESA-N	0	3	321.355	2.793	20	30		DFEDHN
N#Cc1cccc(CN2CCC(C(=O)Nc3ccccn3)CC2)c1	ZINC000047257739	398741270	/nfs/dbraw/zinc/74/12/70/398741270.db2.gz	CCUUJICHWGRCJH-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000047260395	398742837	/nfs/dbraw/zinc/74/28/37/398742837.db2.gz	ODMYRUMMXFJNFU-KRWDZBQOSA-N	0	3	320.396	2.804	20	30		DFEDHN
C[C@H]1COC2(CCC2)CN1C(=O)C(C#N)CCc1ccccc1	ZINC000598053646	398744433	/nfs/dbraw/zinc/74/44/33/398744433.db2.gz	FZKSPANIAPTFFK-RDJZCZTQSA-N	0	3	312.413	2.929	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1F	ZINC000594111439	398745944	/nfs/dbraw/zinc/74/59/44/398745944.db2.gz	NVMGQSMLHOQDGE-HOTGVXAUSA-N	0	3	316.380	2.836	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2)CC1	ZINC000594197462	398763787	/nfs/dbraw/zinc/76/37/87/398763787.db2.gz	OIBLCVOMVHPAHB-QZTJIDSGSA-N	0	3	323.440	2.988	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)c1c(C#N)cnc2c(F)ccc(F)c21	ZINC000591464168	398764345	/nfs/dbraw/zinc/76/43/45/398764345.db2.gz	CSJZZODEAMJSDA-LBPRGKRZSA-N	0	3	316.355	2.915	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](N)CCCC#N	ZINC000591592331	398774552	/nfs/dbraw/zinc/77/45/52/398774552.db2.gz	PGKOFHLJTZTEHQ-CYBMUJFWSA-N	0	3	314.216	2.973	20	30		DFEDHN
CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@]1(C#N)CCNC1	ZINC000591597590	398775091	/nfs/dbraw/zinc/77/50/91/398775091.db2.gz	LSNBDHWWDZBJLZ-MRXNPFEDSA-N	0	3	323.799	2.721	20	30		DFEDHN
CC(C)c1nc2ccc(NC(=O)[C@]3(C#N)CCNC3)cc2s1	ZINC000591603785	398775348	/nfs/dbraw/zinc/77/53/48/398775348.db2.gz	LGEGEOQWTVDRCB-INIZCTEOSA-N	0	3	314.414	2.861	20	30		DFEDHN
CC(C)c1nc2ccc(NC(=O)[C@@]3(C#N)CCNC3)cc2s1	ZINC000591603786	398775369	/nfs/dbraw/zinc/77/53/69/398775369.db2.gz	LGEGEOQWTVDRCB-MRXNPFEDSA-N	0	3	314.414	2.861	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1	ZINC000591607242	398775897	/nfs/dbraw/zinc/77/58/97/398775897.db2.gz	FGMLCISECCXALC-DLBZAZTESA-N	0	3	317.408	2.770	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594283861	398779168	/nfs/dbraw/zinc/77/91/68/398779168.db2.gz	MVSREZNXSJDBDP-INIZCTEOSA-N	0	3	315.461	2.783	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCNC1	ZINC000591634685	398777975	/nfs/dbraw/zinc/77/79/75/398777975.db2.gz	NFWPWWQKBHIBIU-KRWDZBQOSA-N	0	3	317.820	2.549	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594341775	398785088	/nfs/dbraw/zinc/78/50/88/398785088.db2.gz	XJEFSACRQALTGN-QAPCUYQASA-N	0	3	313.445	2.726	20	30		DFEDHN
N#CCC1(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000591764445	398785623	/nfs/dbraw/zinc/78/56/23/398785623.db2.gz	UIALEESVOLXDIX-FUHWJXTLSA-N	0	3	314.429	2.725	20	30		DFEDHN
CCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1	ZINC000594374019	398789172	/nfs/dbraw/zinc/78/91/72/398789172.db2.gz	LIHNYRYZMRHEGB-MAUKXSAKSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@@H](Cc1ccccn1)NC(=O)C(C#N)CCc1ccccc1	ZINC000594402923	398792862	/nfs/dbraw/zinc/79/28/62/398792862.db2.gz	UZSAWUAXAMCFBO-RDJZCZTQSA-N	0	3	307.397	2.901	20	30		DFEDHN
CC1(C)[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(F)F	ZINC000598336913	398794819	/nfs/dbraw/zinc/79/48/19/398794819.db2.gz	IJUQGIJEHXLAFO-ZIAGYGMSSA-N	0	3	317.339	2.648	20	30		DFEDHN
CCc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000123182007	398796537	/nfs/dbraw/zinc/79/65/37/398796537.db2.gz	PEJJSXFFUXUAME-KBXCAEBGSA-N	0	3	301.434	2.954	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)s1)c1ccc(NC(N)=O)cc1	ZINC000135692048	283228204	/nfs/dbraw/zinc/22/82/04/283228204.db2.gz	PDRGGLDCJXMGDZ-JTQLQIEISA-N	0	3	300.387	2.961	20	30		DFEDHN
Cc1ccc2nc(NC(=O)[C@@H](N)CCCCC#N)sc2c1	ZINC000594424404	398797840	/nfs/dbraw/zinc/79/78/40/398797840.db2.gz	DBZDGDAIHCMPDS-NSHDSACASA-N	0	3	302.403	2.955	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1	ZINC000594426124	398798024	/nfs/dbraw/zinc/79/80/24/398798024.db2.gz	CWFOMLCJHRVSMM-MRXNPFEDSA-N	0	3	303.381	2.728	20	30		DFEDHN
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594425915	398798074	/nfs/dbraw/zinc/79/80/74/398798074.db2.gz	BHZRGZHNCQGYGN-XHDPSFHLSA-N	0	3	309.360	2.895	20	30		DFEDHN
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594426460	398798124	/nfs/dbraw/zinc/79/81/24/398798124.db2.gz	CZEWTMSMMKFKFQ-HNNXBMFYSA-N	0	3	316.405	2.631	20	30		DFEDHN
CC(=O)Nc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl	ZINC000594428959	398798696	/nfs/dbraw/zinc/79/86/96/398798696.db2.gz	PHTQZWFGTVFTHK-CYBMUJFWSA-N	0	3	322.796	2.648	20	30		DFEDHN
CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594428464	398798962	/nfs/dbraw/zinc/79/89/62/398798962.db2.gz	MGASEUMAHIAJIU-UONOGXRCSA-N	0	3	305.447	2.995	20	30		DFEDHN
C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594429872	398799585	/nfs/dbraw/zinc/79/95/85/398799585.db2.gz	XOVCRAPHRUFUBH-GJZGRUSLSA-N	0	3	314.433	2.517	20	30		DFEDHN
CC(C)Oc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594429632	398799656	/nfs/dbraw/zinc/79/96/56/398799656.db2.gz	UVLUZUMGXDVTNI-KRWDZBQOSA-N	0	3	317.433	2.544	20	30		DFEDHN
CCc1nc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2o1	ZINC000594429650	398799760	/nfs/dbraw/zinc/79/97/60/398799760.db2.gz	VHBTVVWFXBBWER-GFCCVEGCSA-N	0	3	300.362	2.740	20	30		DFEDHN
Cc1nc(CC(C)C)c(NC(=O)[C@@H](N)CCCCC#N)s1	ZINC000594432966	398800361	/nfs/dbraw/zinc/80/03/61/398800361.db2.gz	HZSQGMRJEHVHNB-LBPRGKRZSA-N	0	3	308.451	3.000	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000594434345	398801254	/nfs/dbraw/zinc/80/12/54/398801254.db2.gz	NUSSWGWRBYLPFD-ZWKOTPCHSA-N	0	3	313.445	2.879	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000594434343	398801292	/nfs/dbraw/zinc/80/12/92/398801292.db2.gz	NUSSWGWRBYLPFD-ROUUACIJSA-N	0	3	313.445	2.879	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(Cl)c1	ZINC000594433794	398801482	/nfs/dbraw/zinc/80/14/82/398801482.db2.gz	STHNGCPSLZNSEG-WFASDCNBSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCSC2(CCCCC2)C1	ZINC000594434398	398801652	/nfs/dbraw/zinc/80/16/52/398801652.db2.gz	YZJHICDNFPJTNU-CQSZACIVSA-N	0	3	309.479	2.676	20	30		DFEDHN
Cc1nc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cs1	ZINC000594438794	398802306	/nfs/dbraw/zinc/80/23/06/398802306.db2.gz	XDARWHBEJUHKGH-TZMCWYRMSA-N	0	3	306.435	2.526	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCC(F)F)cc1	ZINC000594434141	398801709	/nfs/dbraw/zinc/80/17/09/398801709.db2.gz	WSIMTWMIMJHLAF-CYBMUJFWSA-N	0	3	311.332	2.680	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCCSc2ccccc2)CC1	ZINC000050028455	398801960	/nfs/dbraw/zinc/80/19/60/398801960.db2.gz	DXFUACAAVUPSCN-UHFFFAOYSA-N	0	3	316.470	2.630	20	30		DFEDHN
CCCN1Cc2cccc(NC(=O)[C@@H](N)CCCCC#N)c2C1	ZINC000594438222	398802016	/nfs/dbraw/zinc/80/20/16/398802016.db2.gz	NHQGDUZYYYAJRD-INIZCTEOSA-N	0	3	314.433	2.762	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000594437230	398802420	/nfs/dbraw/zinc/80/24/20/398802420.db2.gz	MOYDAUOHESJKAX-QGZVFWFLSA-N	0	3	322.412	2.776	20	30		DFEDHN
Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)s1	ZINC000594436722	398802536	/nfs/dbraw/zinc/80/25/36/398802536.db2.gz	FXJHEWRBSIVGQX-WCQYABFASA-N	0	3	308.451	2.691	20	30		DFEDHN
COc1cc(C)c(NC(=O)[C@H](N)CCCCC#N)c(C)c1C	ZINC000594437459	398802633	/nfs/dbraw/zinc/80/26/33/398802633.db2.gz	NNKIKIZTDPXXLL-CQSZACIVSA-N	0	3	303.406	2.970	20	30		DFEDHN
COc1ccc(NC(=O)[C@@H](N)CCCCC#N)c2cccnc12	ZINC000594440581	398803219	/nfs/dbraw/zinc/80/32/19/398803219.db2.gz	GDKABVTUNJETIP-ZDUSSCGKSA-N	0	3	312.373	2.593	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)NCCN1CCCC[C@@H]1C	ZINC000050091703	398803968	/nfs/dbraw/zinc/80/39/68/398803968.db2.gz	FMCWYCDDXWLEOJ-ZDUSSCGKSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000594443522	398804072	/nfs/dbraw/zinc/80/40/72/398804072.db2.gz	QHBNGCBBMHXWKZ-SQNIBIBYSA-N	0	3	313.445	2.925	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000594445091	398804255	/nfs/dbraw/zinc/80/42/55/398804255.db2.gz	PABRNMNQDIPCKY-AVGNSLFASA-N	0	3	319.371	2.883	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@H](N)CCCCC#N	ZINC000594445104	398803789	/nfs/dbraw/zinc/80/37/89/398803789.db2.gz	PDHSMKDUTSOAJM-CSMYWGQOSA-N	0	3	317.408	2.977	20	30		DFEDHN
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594445887	398804922	/nfs/dbraw/zinc/80/49/22/398804922.db2.gz	MZLJDYPACUYJEF-BZNIZROVSA-N	0	3	321.371	2.822	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCc2sc(Cl)cc2C1	ZINC000594449820	398805299	/nfs/dbraw/zinc/80/52/99/398805299.db2.gz	OOAAVVWPRKFWPN-NSHDSACASA-N	0	3	311.838	2.697	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2Cl)CC1	ZINC000594449335	398805456	/nfs/dbraw/zinc/80/54/56/398805456.db2.gz	GVGDWMSSCQBLGN-AWEZNQCLSA-N	0	3	305.809	2.857	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	ZINC000594447887	398805471	/nfs/dbraw/zinc/80/54/71/398805471.db2.gz	WYIHOHVXPXRKFX-OKZBNKHCSA-N	0	3	313.445	2.925	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)CCc2ccc(F)cc21	ZINC000594452901	398805784	/nfs/dbraw/zinc/80/57/84/398805784.db2.gz	LAHTUWZUHXBJPQ-CXAGYDPISA-N	0	3	317.408	2.725	20	30		DFEDHN
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594456386	398806458	/nfs/dbraw/zinc/80/64/58/398806458.db2.gz	OCEZTBRFAWZVMG-WDEREUQCSA-N	0	3	305.344	2.587	20	30		DFEDHN
CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)Cc1ccsc1	ZINC000594456819	398806503	/nfs/dbraw/zinc/80/65/03/398806503.db2.gz	RZHWWPWSCYZHEV-ZFWWWQNUSA-N	0	3	307.463	2.939	20	30		DFEDHN
C[C@]1(c2cccc(F)c2)CCN(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594454136	398805903	/nfs/dbraw/zinc/80/59/03/398805903.db2.gz	UITUDINOPHHQGY-AEFFLSMTSA-N	0	3	317.408	2.727	20	30		DFEDHN
C[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594454141	398805927	/nfs/dbraw/zinc/80/59/27/398805927.db2.gz	UITUDINOPHHQGY-FUHWJXTLSA-N	0	3	317.408	2.727	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)COC2)c1nnc2n1CCCCC2	ZINC000050206437	398806004	/nfs/dbraw/zinc/80/60/04/398806004.db2.gz	MZTRKWPPOJCYEJ-HNNXBMFYSA-N	0	3	322.368	2.525	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)CC1(O)CCC(C)CC1	ZINC000151332048	283281334	/nfs/dbraw/zinc/28/13/34/283281334.db2.gz	NGLOQWBBUHJQLM-UHFFFAOYSA-N	0	3	316.445	2.948	20	30		DFEDHN
CC(C)n1cc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2n1	ZINC000594469553	398807058	/nfs/dbraw/zinc/80/70/58/398807058.db2.gz	YUHVYCQAQBWPQJ-OAHLLOKOSA-N	0	3	313.405	2.967	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nnc(-c2ccsc2)s1	ZINC000594468748	398807096	/nfs/dbraw/zinc/80/70/96/398807096.db2.gz	RFYBTFNCGDCITO-JTQLQIEISA-N	0	3	321.431	2.616	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1	ZINC000594506611	398811986	/nfs/dbraw/zinc/81/19/86/398811986.db2.gz	DHBXVDDYFUXUDK-IAGOWNOFSA-N	0	3	311.429	2.731	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1	ZINC000594499593	398811000	/nfs/dbraw/zinc/81/10/00/398811000.db2.gz	HBFGTRXIXZHJRQ-AWEZNQCLSA-N	0	3	300.324	2.891	20	30		DFEDHN
C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594514128	398814160	/nfs/dbraw/zinc/81/41/60/398814160.db2.gz	PTSQJLSRTKVHGG-XOKHGSTOSA-N	0	3	311.429	2.587	20	30		DFEDHN
CN(CCN1CCCCC1)c1cccc(-n2cccn2)c1C#N	ZINC000594587261	398824949	/nfs/dbraw/zinc/82/49/49/398824949.db2.gz	WYUVKGMQAXYDMT-UHFFFAOYSA-N	0	3	309.417	2.666	20	30		DFEDHN
N#Cc1cnc2ccccc2c1N[C@H]1CCCN2CCCC[C@H]12	ZINC000594603299	398829740	/nfs/dbraw/zinc/82/97/40/398829740.db2.gz	SYZRTHJMNXNSBV-ZWKOTPCHSA-N	0	3	306.413	2.957	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H](C3CC3)[C@@H]3CCCCO3)n2c1	ZINC000594614934	398833684	/nfs/dbraw/zinc/83/36/84/398833684.db2.gz	MRDQDXBDMPQFOF-WMZOPIPTSA-N	0	3	310.401	2.643	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)c(OC)c1)C(C)C	ZINC000594609752	398831358	/nfs/dbraw/zinc/83/13/58/398831358.db2.gz	BEKTTXMRFHTGGP-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
CCn1cncc1[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598589781	398836466	/nfs/dbraw/zinc/83/64/66/398836466.db2.gz	JKYXZKCMNISIPV-LSDHHAIUSA-N	0	3	304.438	2.731	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1	ZINC000598591796	398837278	/nfs/dbraw/zinc/83/72/78/398837278.db2.gz	ZZYHDOZNKCYDEB-KGLIPLIRSA-N	0	3	307.463	2.932	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N	ZINC000598603770	398839730	/nfs/dbraw/zinc/83/97/30/398839730.db2.gz	GKSUGUNXCAZOHN-OCCSQVGLSA-N	0	3	306.454	2.898	20	30		DFEDHN
CC[C@@H]1CN(c2ccccc2)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598604352	398840024	/nfs/dbraw/zinc/84/00/24/398840024.db2.gz	LMFQHHLYLZGQKG-AEFFLSMTSA-N	0	3	315.461	2.888	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@]2(C1)OCc1ccccc12	ZINC000598606362	398840557	/nfs/dbraw/zinc/84/05/57/398840557.db2.gz	FAWRZYYYCLSEHO-QFBILLFUSA-N	0	3	314.429	2.809	20	30		DFEDHN
CN1CC[C@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000180118317	199119364	/nfs/dbraw/zinc/11/93/64/199119364.db2.gz	XSQXJZYUCYGMOH-ICSRJNTNSA-N	0	3	319.408	2.662	20	30		DFEDHN
N#Cc1ccc(CCN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000594708884	398846097	/nfs/dbraw/zinc/84/60/97/398846097.db2.gz	CSBPUCSLAZHTMW-LJQANCHMSA-N	0	3	319.408	2.710	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000180344712	199147982	/nfs/dbraw/zinc/14/79/82/199147982.db2.gz	FHODVIGSJDENJI-CQSZACIVSA-N	0	3	302.422	2.562	20	30		DFEDHN
CCCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598699529	398857644	/nfs/dbraw/zinc/85/76/44/398857644.db2.gz	FTQOVYRETGTNKV-OAHLLOKOSA-N	0	3	320.433	2.874	20	30		DFEDHN
CC(C)[C@H](O)[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1	ZINC000598730305	398863757	/nfs/dbraw/zinc/86/37/57/398863757.db2.gz	SOCGQIQTQQKYAK-ZACQAIPSSA-N	0	3	304.434	2.635	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccccc1Br	ZINC000598715508	398860614	/nfs/dbraw/zinc/86/06/14/398860614.db2.gz	SBZCRHZTRQMKFH-GFCCVEGCSA-N	0	3	311.223	2.839	20	30		DFEDHN
N#CCN1CCC(NCc2cccc(F)c2OC(F)F)CC1	ZINC000594924328	398872519	/nfs/dbraw/zinc/87/25/19/398872519.db2.gz	LPCKCYJEKROQNP-UHFFFAOYSA-N	0	3	313.323	2.505	20	30		DFEDHN
N#CCCCOc1cccc(CNCCO[C@@H]2CC2(F)F)c1	ZINC000594970769	398883843	/nfs/dbraw/zinc/88/38/43/398883843.db2.gz	MQXBODWFNSOSTL-OAHLLOKOSA-N	0	3	310.344	2.883	20	30		DFEDHN
CC1CCC2(CC1)OC[C@@H](CNCc1cccc(C#N)c1)O2	ZINC000181087276	199250467	/nfs/dbraw/zinc/25/04/67/199250467.db2.gz	HWEPNAVGCDVVDU-ZCDVPAHGSA-N	0	3	300.402	2.970	20	30		DFEDHN
C#CCSCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000181100315	199252597	/nfs/dbraw/zinc/25/25/97/199252597.db2.gz	NFMZFNSHJBVRKQ-GFCCVEGCSA-N	0	3	309.431	2.729	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1	ZINC000598918221	398892939	/nfs/dbraw/zinc/89/29/39/398892939.db2.gz	SUQPFUMIHGAKEV-IAGOWNOFSA-N	0	3	322.412	2.595	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@](C)(O)c1ccsc1	ZINC000077460715	398904874	/nfs/dbraw/zinc/90/48/74/398904874.db2.gz	ICDJONGHWGAXTB-QGZVFWFLSA-N	0	3	301.411	2.757	20	30		DFEDHN
N#Cc1ccc(CNCC[C@@H](O)COCc2ccccc2)cc1	ZINC000599021551	398908781	/nfs/dbraw/zinc/90/87/81/398908781.db2.gz	AGBNMYVWSWRPSW-LJQANCHMSA-N	0	3	310.397	2.616	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(F)c1	ZINC000599012736	398907563	/nfs/dbraw/zinc/90/75/63/398907563.db2.gz	VRXGCBDPBCXWBY-WMLDXEAASA-N	0	3	314.364	2.678	20	30		DFEDHN
Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C3(C#N)CC3)cc2)n1	ZINC000599018348	398908073	/nfs/dbraw/zinc/90/80/73/398908073.db2.gz	WDTGSZWJZYNBCS-JKSUJKDBSA-N	0	3	324.384	2.553	20	30		DFEDHN
Cc1nc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000187198207	200076690	/nfs/dbraw/zinc/07/66/90/200076690.db2.gz	AGDLVXMGWGNJPC-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1ccc(CNCC[C@@H](O)COCc2ccccc2)s1	ZINC000599022907	398909364	/nfs/dbraw/zinc/90/93/64/398909364.db2.gz	OIWYLINNFMNFRH-OAHLLOKOSA-N	0	3	316.426	2.677	20	30		DFEDHN
CC(C)(NC(=O)C[C@@H](N)c1ccccc1)c1cccc(C#N)c1	ZINC000595255978	398913415	/nfs/dbraw/zinc/91/34/15/398913415.db2.gz	KMEIOSWHYZMUCE-QGZVFWFLSA-N	0	3	307.397	3.000	20	30		DFEDHN
CC(C)(NC(=O)C[C@H](N)Cc1ccccc1)c1cccc(C#N)c1	ZINC000595255911	398913672	/nfs/dbraw/zinc/91/36/72/398913672.db2.gz	JZBPJOKIVQVLAW-GOSISDBHSA-N	0	3	321.424	2.870	20	30		DFEDHN
CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000595252002	398912602	/nfs/dbraw/zinc/91/26/02/398912602.db2.gz	ZCNLMZHHLIVURP-HOTGVXAUSA-N	0	3	305.397	2.674	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(Nc2cccnn2)CC1	ZINC000187679420	200143755	/nfs/dbraw/zinc/14/37/55/200143755.db2.gz	KERPKKMUEIOQPW-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
CC1(C)C[C@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)CO1	ZINC000595290329	398916844	/nfs/dbraw/zinc/91/68/44/398916844.db2.gz	VKWDQPHPKLXAJY-SFHVURJKSA-N	0	3	313.445	2.633	20	30		DFEDHN
CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCOC1	ZINC000595296473	398917727	/nfs/dbraw/zinc/91/77/27/398917727.db2.gz	DRTQTTRMSQHMGL-AEFFLSMTSA-N	0	3	300.402	2.574	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](OC)C1CCC1	ZINC000595296830	398917972	/nfs/dbraw/zinc/91/79/72/398917972.db2.gz	LPSQJHAELPVKRR-SFHVURJKSA-N	0	3	302.418	2.822	20	30		DFEDHN
CC(C)N(CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595296486	398918113	/nfs/dbraw/zinc/91/81/13/398918113.db2.gz	DVESBUBLXSGPBG-IAGOWNOFSA-N	0	3	315.461	2.878	20	30		DFEDHN
C[C@H](CC(=O)NCCc1ccccc1)NCc1cccc(C#N)c1	ZINC000151397156	398925837	/nfs/dbraw/zinc/92/58/37/398925837.db2.gz	FRMUCVOSHPIKSS-MRXNPFEDSA-N	0	3	321.424	2.785	20	30		DFEDHN
CC[C@](C)(CO)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000152175961	398929151	/nfs/dbraw/zinc/92/91/51/398929151.db2.gz	CSWRYONQYMAMAL-QGZVFWFLSA-N	0	3	306.406	2.628	20	30		DFEDHN
CS[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)C[C@@H]1N(C)C	ZINC000595403903	398932684	/nfs/dbraw/zinc/93/26/84/398932684.db2.gz	NFFLZILLUAOMPK-QLFBSQMISA-N	0	3	309.866	2.882	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](c2ccc(F)c(C)c2)C2CC2)C1=O	ZINC000281936339	334991572	/nfs/dbraw/zinc/99/15/72/334991572.db2.gz	INCJQDUPVRBRDA-DLBZAZTESA-N	0	3	302.393	2.962	20	30		DFEDHN
CC(=O)N(C[C@@H]1CCCN1CCc1ccc(C#N)cc1)C1CC1	ZINC000595443380	398939817	/nfs/dbraw/zinc/93/98/17/398939817.db2.gz	GJPHZDGOWCPSJP-IBGZPJMESA-N	0	3	311.429	2.576	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C	ZINC000595448660	398940376	/nfs/dbraw/zinc/94/03/76/398940376.db2.gz	LXAAPQGJMYZJID-LSDHHAIUSA-N	0	3	313.511	2.858	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C	ZINC000595448657	398940386	/nfs/dbraw/zinc/94/03/86/398940386.db2.gz	LXAAPQGJMYZJID-CABCVRRESA-N	0	3	313.511	2.858	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2cccs2)CCOCC1	ZINC000599253252	398943281	/nfs/dbraw/zinc/94/32/81/398943281.db2.gz	GELJKVVAZCMXGH-HUUCEWRRSA-N	0	3	320.458	2.956	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1C#N	ZINC000599260346	398943826	/nfs/dbraw/zinc/94/38/26/398943826.db2.gz	ZGGLKPBFHFHPCL-LJQANCHMSA-N	0	3	322.408	2.986	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccsc2)CCOCC1	ZINC000599266140	398944971	/nfs/dbraw/zinc/94/49/71/398944971.db2.gz	ZOHRWLKTNOKHCK-CVEARBPZSA-N	0	3	320.458	2.956	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1	ZINC000599289575	398948085	/nfs/dbraw/zinc/94/80/85/398948085.db2.gz	VKRWEKBKNRWPFD-SFHVURJKSA-N	0	3	323.444	2.987	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C#N)C2)N(C)C)cc1	ZINC000595495827	398949607	/nfs/dbraw/zinc/94/96/07/398949607.db2.gz	TZZBMZYIZADLSV-SJLPKXTDSA-N	0	3	314.433	2.543	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(SCC)CC2)CC1	ZINC000595494140	398949814	/nfs/dbraw/zinc/94/98/14/398949814.db2.gz	NONXRYYTMIVGFH-UHFFFAOYSA-N	0	3	311.495	2.612	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000595501103	398951145	/nfs/dbraw/zinc/95/11/45/398951145.db2.gz	HJFXRAXVRIVAKX-SFHVURJKSA-N	0	3	318.380	2.521	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@H](CC#N)C1	ZINC000595503017	398951159	/nfs/dbraw/zinc/95/11/59/398951159.db2.gz	YULOUUBSLSVIEM-OWCLPIDISA-N	0	3	306.454	2.585	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CCOCc3ccccc3)C2)nc1	ZINC000595502128	398951203	/nfs/dbraw/zinc/95/12/03/398951203.db2.gz	PLVODYATBLGNPE-GOSISDBHSA-N	0	3	323.396	2.623	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CNC1(c2ccccc2)CCC1	ZINC000599318257	398953648	/nfs/dbraw/zinc/95/36/48/398953648.db2.gz	RCFVKQBJUMEIKQ-SFHVURJKSA-N	0	3	322.408	2.967	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(CCCO)Cc2cccc(Cl)c2)CC1	ZINC000599331008	398955446	/nfs/dbraw/zinc/95/54/46/398955446.db2.gz	FITLPKVRVCFJNS-MRXNPFEDSA-N	0	3	322.836	2.579	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@@H](Oc3ccccc3Cl)C2)CC1	ZINC000599336183	398956472	/nfs/dbraw/zinc/95/64/72/398956472.db2.gz	IEQMOSSGFZQGGX-ZIAGYGMSSA-N	0	3	320.820	2.848	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1	ZINC000599344268	398957029	/nfs/dbraw/zinc/95/70/29/398957029.db2.gz	BGGYDJJWPISCSK-TZMCWYRMSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cccc(C#N)c1	ZINC000595541114	398962099	/nfs/dbraw/zinc/96/20/99/398962099.db2.gz	SGXVTJVDZDGGEK-BBRMVZONSA-N	0	3	314.433	2.791	20	30		DFEDHN
CN(C)CCN(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000078583248	398970134	/nfs/dbraw/zinc/97/01/34/398970134.db2.gz	CWITVTJFSIAROD-UHFFFAOYSA-N	0	3	322.412	2.507	20	30		DFEDHN
COC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000599422752	398977041	/nfs/dbraw/zinc/97/70/41/398977041.db2.gz	WTJGPWDCPNIOLM-HUUCEWRRSA-N	0	3	308.809	2.672	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000595568248	398976594	/nfs/dbraw/zinc/97/65/94/398976594.db2.gz	UBPJECPFMVAGNH-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H](c2cccs2)C2(CO)CCC2)CC1	ZINC000599435186	398980930	/nfs/dbraw/zinc/98/09/30/398980930.db2.gz	SLNMKDWKBLYRID-HIFRSBDPSA-N	0	3	320.458	2.596	20	30		DFEDHN
CC[C@H](CC#N)NCC1(O)CCC(C(=O)OC(C)(C)C)CC1	ZINC000599437984	398981882	/nfs/dbraw/zinc/98/18/82/398981882.db2.gz	UPCGOCWUBQDRNG-XOYHFGRZSA-N	0	3	310.438	2.531	20	30		DFEDHN
CN1CCN(CCNc2ccc(C#N)c(Cl)c2)CC1(C)C	ZINC000281576157	216394373	/nfs/dbraw/zinc/39/43/73/216394373.db2.gz	FNFHIVJFOFYDBO-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
CCCCOC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C	ZINC000195173349	201351012	/nfs/dbraw/zinc/35/10/12/201351012.db2.gz	ZOXAAPMPLRHSKH-GOSISDBHSA-N	0	3	304.434	2.946	20	30		DFEDHN
CCCCOC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C	ZINC000195173356	201351124	/nfs/dbraw/zinc/35/11/24/201351124.db2.gz	ZOXAAPMPLRHSKH-SFHVURJKSA-N	0	3	304.434	2.946	20	30		DFEDHN
Cc1cc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c(C)o1	ZINC000195269223	201368816	/nfs/dbraw/zinc/36/88/16/201368816.db2.gz	HZBNYBJUAWTRIZ-CJNGLKHVSA-N	0	3	314.385	2.859	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1	ZINC000599529234	399003712	/nfs/dbraw/zinc/00/37/12/399003712.db2.gz	KLPPBIPIHVFNRT-LBPRGKRZSA-N	0	3	304.346	2.779	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)N2CCCc3ccccc32)C1	ZINC000595622825	399006106	/nfs/dbraw/zinc/00/61/06/399006106.db2.gz	DTBHQGDMLISZNS-INIZCTEOSA-N	0	3	311.429	2.982	20	30		DFEDHN
COc1ccc(NC(=O)CCN2CCC[C@@H](CC#N)C2)cc1	ZINC000595621898	399006547	/nfs/dbraw/zinc/00/65/47/399006547.db2.gz	ZISQTUNIKADIOS-AWEZNQCLSA-N	0	3	301.390	2.649	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(C#N)c(C)c2)n1	ZINC000599541431	399007799	/nfs/dbraw/zinc/00/77/99/399007799.db2.gz	KAZIEMXFSRMVDA-SFHVURJKSA-N	0	3	309.417	2.740	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(C#N)cc2Cl)C1	ZINC000595631506	399011748	/nfs/dbraw/zinc/01/17/48/399011748.db2.gz	JHTDGKDXSZUUIL-YSVLISHTSA-N	0	3	322.836	2.867	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C	ZINC000599579856	399019349	/nfs/dbraw/zinc/01/93/49/399019349.db2.gz	DHAPKBPXFUBNNO-KFWWJZLASA-N	0	3	324.465	2.587	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC/C=C/CN[C@@H]1CCCC[C@@H]1C#N	ZINC000595687115	399035490	/nfs/dbraw/zinc/03/54/90/399035490.db2.gz	AFAQJJZBXFWCCF-OKCGKKNSSA-N	0	3	300.450	2.887	20	30		DFEDHN
C[C@H](CN(C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1	ZINC000599632649	399036208	/nfs/dbraw/zinc/03/62/08/399036208.db2.gz	AKQAFXAUCVSABQ-KDOFPFPSSA-N	0	3	305.466	2.943	20	30		DFEDHN
C#CCCOc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1	ZINC000091856246	193118345	/nfs/dbraw/zinc/11/83/45/193118345.db2.gz	ATCDZXDDVKXYAJ-ZWKOTPCHSA-N	0	3	317.454	2.795	20	30		DFEDHN
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000595705277	399047483	/nfs/dbraw/zinc/04/74/83/399047483.db2.gz	GBBKSVARFWXYHX-XHDPSFHLSA-N	0	3	311.410	2.876	20	30		DFEDHN
C=CCCSCCNC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000595725579	399055445	/nfs/dbraw/zinc/05/54/45/399055445.db2.gz	MCSUMLLRBADTFW-OAHLLOKOSA-N	0	3	311.495	2.566	20	30		DFEDHN
C=CCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595725244	399055467	/nfs/dbraw/zinc/05/54/67/399055467.db2.gz	CGTQRMVCDLOMOQ-UHFFFAOYSA-N	0	3	307.401	2.646	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1	ZINC000079557180	399058450	/nfs/dbraw/zinc/05/84/50/399058450.db2.gz	OFWUSOCCWILERH-NVXWUHKLSA-N	0	3	311.429	2.850	20	30		DFEDHN
CN(C)C[C@H](NC(=O)CC#N)c1ccc(Cl)c(Cl)c1	ZINC000600473134	399058601	/nfs/dbraw/zinc/05/86/01/399058601.db2.gz	RKLLCHZSJNAJHQ-LBPRGKRZSA-N	0	3	300.189	2.626	20	30		DFEDHN
CC(=O)NC[C@H]1CCCCN1Cc1ccc(C(C)(C)C#N)cc1	ZINC000599691162	399065811	/nfs/dbraw/zinc/06/58/11/399065811.db2.gz	QWJUUIOVQJXWSY-GOSISDBHSA-N	0	3	313.445	2.978	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000595744926	399067711	/nfs/dbraw/zinc/06/77/11/399067711.db2.gz	WCBODNNUDRHPPG-NVXWUHKLSA-N	0	3	311.429	2.588	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccccc1F)C1CCCC1	ZINC000271776059	209204729	/nfs/dbraw/zinc/20/47/29/209204729.db2.gz	UWXNARVQIDQOSU-SFHVURJKSA-N	0	3	302.393	2.786	20	30		DFEDHN
C=CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)C(C)(C)C	ZINC000595765768	399075263	/nfs/dbraw/zinc/07/52/63/399075263.db2.gz	NXATZOKYAUXTOX-UHFFFAOYSA-N	0	3	319.405	2.630	20	30		DFEDHN
Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cc(C#N)ccc2F)cn1	ZINC000595768027	399076660	/nfs/dbraw/zinc/07/66/60/399076660.db2.gz	FCHTXQZBIIZAES-YJBOKZPZSA-N	0	3	312.392	2.932	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnn(C(C)C)c1)C(C)C	ZINC000191625675	335004782	/nfs/dbraw/zinc/00/47/82/335004782.db2.gz	KGUFONCHRAGIPF-QGZVFWFLSA-N	0	3	318.465	2.892	20	30		DFEDHN
C=CCC[C@H](C(=O)NCCCN(C)CCOC)c1ccccc1	ZINC000275127815	212137234	/nfs/dbraw/zinc/13/72/34/212137234.db2.gz	KFLPVUKVYONYRJ-SFHVURJKSA-N	0	3	318.461	2.821	20	30		DFEDHN
CCNC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(F)cc1	ZINC000284318134	335011004	/nfs/dbraw/zinc/01/10/04/335011004.db2.gz	AWVHSGOVZBJFSS-KRWDZBQOSA-N	0	3	302.393	2.558	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1	ZINC000284339662	335011278	/nfs/dbraw/zinc/01/12/78/335011278.db2.gz	MRRHSCPDRRFGMM-ZVZYQTTQSA-N	0	3	319.445	2.507	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(C(=O)CCCCCC#N)CC1	ZINC000600684890	399116285	/nfs/dbraw/zinc/11/62/85/399116285.db2.gz	ZPNZITCWYZMVHF-UHFFFAOYSA-N	0	3	321.465	2.564	20	30		DFEDHN
CC(C)[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1	ZINC000600719793	399123286	/nfs/dbraw/zinc/12/32/86/399123286.db2.gz	WQJXKXFPBWBPFP-BBRMVZONSA-N	0	3	312.417	2.904	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(F)cc2C(F)(F)F)CC1	ZINC000600718413	399123319	/nfs/dbraw/zinc/12/33/19/399123319.db2.gz	PVWKMMOEQLIQCR-GFCCVEGCSA-N	0	3	316.298	2.989	20	30		DFEDHN
CCc1cccc2c1OCC[C@H]2NC[C@H](O)CC1(C#N)CC1	ZINC000600725161	399125006	/nfs/dbraw/zinc/12/50/06/399125006.db2.gz	XDHQVIYGTSZSAZ-GDBMZVCRSA-N	0	3	300.402	2.717	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CC1=CCSC1	ZINC000595887524	399124360	/nfs/dbraw/zinc/12/43/60/399124360.db2.gz	DPBZKHLRJFBBFZ-UHFFFAOYSA-N	0	3	304.415	2.551	20	30		DFEDHN
N#Cc1ccc(CCN2CCNC[C@@H]2c2cccc(F)c2)cc1	ZINC000595895763	399126883	/nfs/dbraw/zinc/12/68/83/399126883.db2.gz	UXDDIXNRBOCVAN-LJQANCHMSA-N	0	3	309.388	2.886	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@H](C)NC[C@H](O)CC1(C#N)CC1	ZINC000600733302	399128792	/nfs/dbraw/zinc/12/87/92/399128792.db2.gz	YMSMCZOXTHDLSJ-ZENOOKHLSA-N	0	3	306.381	2.546	20	30		DFEDHN
Cc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1Br	ZINC000600733174	399128843	/nfs/dbraw/zinc/12/88/43/399128843.db2.gz	HOPXKFNJXMGIET-CYBMUJFWSA-N	0	3	323.234	2.902	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000600744429	399134051	/nfs/dbraw/zinc/13/40/51/399134051.db2.gz	MVJBBNIJFWCGRU-HZPDHXFCSA-N	0	3	322.412	2.504	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC[C@@H]2CC=CCC2)c1	ZINC000600763144	399138848	/nfs/dbraw/zinc/13/88/48/399138848.db2.gz	RINFMIKQZKAJMD-OAHLLOKOSA-N	0	3	318.442	2.668	20	30		DFEDHN
C=CCc1cc(CN(C)[C@@H](C)CC(=O)OCC)cc(OC)c1O	ZINC000183179339	399152771	/nfs/dbraw/zinc/15/27/71/399152771.db2.gz	CLWGQQHOMLFNFY-ZDUSSCGKSA-N	0	3	321.417	2.903	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H]2CCc3ccccc3C2)CC1	ZINC000264797093	204162123	/nfs/dbraw/zinc/16/21/23/204162123.db2.gz	BUKATEQJHWWTSP-INIZCTEOSA-N	0	3	312.457	2.948	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C(=O)NCCC)cn2)CC1	ZINC000264840462	204198607	/nfs/dbraw/zinc/19/86/07/204198607.db2.gz	GOVTUYVSXWKZSV-UHFFFAOYSA-N	0	3	316.449	2.674	20	30		DFEDHN
C[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc(C#N)c1	ZINC000080587560	399160723	/nfs/dbraw/zinc/16/07/23/399160723.db2.gz	DBRSLJGJMJCDPR-ZBFHGGJFSA-N	0	3	314.433	2.602	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000596088641	399168652	/nfs/dbraw/zinc/16/86/52/399168652.db2.gz	MRPKECOBJWUQAE-WBVHZDCISA-N	0	3	314.433	2.625	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N1CCCN(C(C)C)CC1	ZINC000274877540	212002330	/nfs/dbraw/zinc/00/23/30/212002330.db2.gz	VOQRRFVTJKCKFS-UHFFFAOYSA-N	0	3	315.417	2.647	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCO[C@@H]2c2ccnn2C)c1	ZINC000284661104	335016146	/nfs/dbraw/zinc/01/61/46/335016146.db2.gz	HBQIILZUMFQPMC-WMZOPIPTSA-N	0	3	313.401	2.605	20	30		DFEDHN
C=C(C)CN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1	ZINC000596116309	399179407	/nfs/dbraw/zinc/17/94/07/399179407.db2.gz	TTXQQBHFDJACTE-UHFFFAOYSA-N	0	3	310.785	2.518	20	30		DFEDHN
C#CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000271715096	209149518	/nfs/dbraw/zinc/14/95/18/209149518.db2.gz	PCSHWTZWWLQYRQ-QUCCMNQESA-N	0	3	320.392	2.652	20	30		DFEDHN
N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1	ZINC000015582489	182008409	/nfs/dbraw/zinc/00/84/09/182008409.db2.gz	FGOMHRMSBNKSTI-UHFFFAOYSA-N	0	3	319.408	2.953	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000266318335	205262586	/nfs/dbraw/zinc/26/25/86/205262586.db2.gz	HNRBOFYYGZDSFO-INIZCTEOSA-N	0	3	304.434	2.606	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601013624	399203017	/nfs/dbraw/zinc/20/30/17/399203017.db2.gz	HRHNGJZKTCGGQM-KFWWJZLASA-N	0	3	303.450	2.553	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000266460447	205362950	/nfs/dbraw/zinc/36/29/50/205362950.db2.gz	SLYIJZNMZMCTBY-GDBMZVCRSA-N	0	3	315.417	2.645	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cccc(F)c3o2)CC1	ZINC000607901900	399208613	/nfs/dbraw/zinc/20/86/13/399208613.db2.gz	SDHKGPOFWRZCEA-UHFFFAOYSA-N	0	3	302.349	2.952	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000097473153	193724494	/nfs/dbraw/zinc/72/44/94/193724494.db2.gz	GJOQCSAFTKCIQX-UHFFFAOYSA-N	0	3	304.369	2.551	20	30		DFEDHN
Cc1nc(C)n([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1	ZINC000614398489	399225232	/nfs/dbraw/zinc/22/52/32/399225232.db2.gz	ZGJFQTUMTCYJOJ-SFHVURJKSA-N	0	3	309.417	2.912	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1c1cc(C#N)nc(C2CC2)n1	ZINC000601125855	399234130	/nfs/dbraw/zinc/23/41/30/399234130.db2.gz	KPJDJBHSCGDWIE-HZPDHXFCSA-N	0	3	311.433	2.679	20	30		DFEDHN
CS[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H]1N(C)C	ZINC000601134588	399237555	/nfs/dbraw/zinc/23/75/55/399237555.db2.gz	DVTQIZSWFVUSCE-CHWSQXEVSA-N	0	3	318.471	2.650	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000614523092	399242325	/nfs/dbraw/zinc/24/23/25/399242325.db2.gz	FULORGMZHCNRBQ-CVEARBPZSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)cc1F	ZINC000601152358	399242615	/nfs/dbraw/zinc/24/26/15/399242615.db2.gz	CTFJSZAXZVCVPD-GOSISDBHSA-N	0	3	316.351	2.920	20	30		DFEDHN
C[C@@](CO)(Cc1ccccc1F)NCc1ccc(C#N)s1	ZINC000601154149	399243417	/nfs/dbraw/zinc/24/34/17/399243417.db2.gz	YHEAJKDYIHRKRY-INIZCTEOSA-N	0	3	304.390	2.842	20	30		DFEDHN
C#CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000192100726	335026065	/nfs/dbraw/zinc/02/60/65/335026065.db2.gz	PXDIGUBGDLWROG-SFHVURJKSA-N	0	3	316.445	2.998	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cccc(OC)c2F)CC1	ZINC000285475912	335026293	/nfs/dbraw/zinc/02/62/93/335026293.db2.gz	VHGKSIVWPYNMAG-UHFFFAOYSA-N	0	3	320.408	2.534	20	30		DFEDHN
COC(=O)COc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1	ZINC000192190975	335027429	/nfs/dbraw/zinc/02/74/29/335027429.db2.gz	PTXRIMMKBXBFFM-MRXNPFEDSA-N	0	3	323.392	2.941	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCCc3cccnc32)CC1	ZINC000192533197	335030860	/nfs/dbraw/zinc/03/08/60/335030860.db2.gz	GPBIYSFMBJUPBV-KRWDZBQOSA-N	0	3	313.445	2.658	20	30		DFEDHN
C[C@@H](CCC#N)CNCc1nnc2ccc(C(F)(F)F)cn21	ZINC000618887862	399252167	/nfs/dbraw/zinc/25/21/67/399252167.db2.gz	MGWDYNBSCHHMHB-JTQLQIEISA-N	0	3	311.311	2.778	20	30		DFEDHN
N#Cc1csc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000614660615	399256818	/nfs/dbraw/zinc/25/68/18/399256818.db2.gz	OXYJNACFXRXEAP-QGZVFWFLSA-N	0	3	309.394	2.716	20	30		DFEDHN
Cc1nsc(Nc2cnn(C3CCN(C)CC3)c2)c1C#N	ZINC000601227824	399259197	/nfs/dbraw/zinc/25/91/97/399259197.db2.gz	WRLHYGGYSGUQAG-UHFFFAOYSA-N	0	3	302.407	2.530	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)cc1	ZINC000267898680	206325817	/nfs/dbraw/zinc/32/58/17/206325817.db2.gz	JDAMMTCANXBJLX-HEHGZKQESA-N	0	3	312.417	2.544	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)cc1	ZINC000267898684	206326751	/nfs/dbraw/zinc/32/67/51/206326751.db2.gz	JDAMMTCANXBJLX-WWGRRREGSA-N	0	3	312.417	2.544	20	30		DFEDHN
CC(C)N1CCC(N(C)C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000267977795	206372696	/nfs/dbraw/zinc/37/26/96/206372696.db2.gz	NROWFQAOHDNUBE-UHFFFAOYSA-N	0	3	321.371	2.781	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)C2(C#N)CC3(CC3)C2)CN1Cc1ccccc1	ZINC000601308773	399274430	/nfs/dbraw/zinc/27/44/30/399274430.db2.gz	DEBWDHPNQHIPHU-RDJZCZTQSA-N	0	3	323.440	2.850	20	30		DFEDHN
Cc1nccn1-c1ccc([C@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601315246	399275552	/nfs/dbraw/zinc/27/55/52/399275552.db2.gz	IDGCMDMUPRMLFR-INIZCTEOSA-N	0	3	323.444	2.773	20	30		DFEDHN
CN(C(=O)C1(C#N)CC2(CC2)C1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000601324785	399277723	/nfs/dbraw/zinc/27/77/23/399277723.db2.gz	ZUKOMWOUTPKAOD-KRWDZBQOSA-N	0	3	323.440	2.803	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601382685	399284736	/nfs/dbraw/zinc/28/47/36/399284736.db2.gz	FSTKWLABSGFTJB-RTBURBONSA-N	0	3	319.408	2.928	20	30		DFEDHN
C[C@@H](CN1CCOCC1)N(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000619050302	399285493	/nfs/dbraw/zinc/28/54/93/399285493.db2.gz	AYWQCIRDBIHGNT-INIZCTEOSA-N	0	3	315.461	2.640	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1cccc(C#N)c1	ZINC000614997560	399289507	/nfs/dbraw/zinc/28/95/07/399289507.db2.gz	FOXHDFNJYDLMQM-CQSZACIVSA-N	0	3	314.433	2.745	20	30		DFEDHN
CC(C)C[C@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000608823743	399297780	/nfs/dbraw/zinc/29/77/80/399297780.db2.gz	VGGBGCKDWCTMAE-GOSISDBHSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H]3C3CC3)C2=O)cc1	ZINC000619157560	399304314	/nfs/dbraw/zinc/30/43/14/399304314.db2.gz	GAOMONSXASZMDU-MSOLQXFVSA-N	0	3	309.413	2.928	20	30		DFEDHN
Cc1ccc2c(c1)[C@@H](NCc1cnc3c(C#N)cnn3c1)CC2	ZINC000609288255	399312315	/nfs/dbraw/zinc/31/23/15/399312315.db2.gz	JNDRVOGRWMCLKL-KRWDZBQOSA-N	0	3	303.369	2.687	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)cn2)C1	ZINC000609343104	399315036	/nfs/dbraw/zinc/31/50/36/399315036.db2.gz	OIRJJOIEMKXQJB-YOEHRIQHSA-N	0	3	320.396	2.519	20	30		DFEDHN
CC[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)N(CC)CC	ZINC000619246936	399319536	/nfs/dbraw/zinc/31/95/36/399319536.db2.gz	YVYXZPHCKRECPD-JFIYKMOQSA-N	0	3	321.465	2.561	20	30		DFEDHN
CCN(Cc1ccoc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619283961	399324633	/nfs/dbraw/zinc/32/46/33/399324633.db2.gz	FXASUTSGJNQNDG-QGZVFWFLSA-N	0	3	307.353	2.882	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	ZINC000609921203	399336691	/nfs/dbraw/zinc/33/66/91/399336691.db2.gz	YABRKTIVBPGFEM-BWZBUEFSSA-N	0	3	302.218	2.735	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCN(C[C@@H]2CCCO2)CC1	ZINC000615438233	399336832	/nfs/dbraw/zinc/33/68/32/399336832.db2.gz	GKYQUQRMVPWAGI-APWZRJJASA-N	0	3	313.445	2.806	20	30		DFEDHN
CC[C@@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601812203	399341189	/nfs/dbraw/zinc/34/11/89/399341189.db2.gz	HSTCMDLDBQECKA-FUHWJXTLSA-N	0	3	300.402	2.522	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@H](C)CO	ZINC000273985943	211244362	/nfs/dbraw/zinc/24/43/62/211244362.db2.gz	JEYNGFRBXCJISM-CHWSQXEVSA-N	0	3	308.447	2.510	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@@H]1CCCO1	ZINC000284704152	218142412	/nfs/dbraw/zinc/14/24/12/218142412.db2.gz	IRPCLQXKFLWFFZ-CVEARBPZSA-N	0	3	316.401	2.589	20	30		DFEDHN
C=CCN1CCC(Nc2c(C#N)cnc3c(C)cccc32)CC1	ZINC000610277499	399352644	/nfs/dbraw/zinc/35/26/44/399352644.db2.gz	RDRGTAXCUMRJFZ-UHFFFAOYSA-N	0	3	306.413	2.899	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(C)[C@H](CC(N)=O)c1ccccc1	ZINC000619515842	399356206	/nfs/dbraw/zinc/35/62/06/399356206.db2.gz	IGEPYKGSNPYVPD-GOSISDBHSA-N	0	3	307.397	2.915	20	30		DFEDHN
CC1=C(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000619517010	399356609	/nfs/dbraw/zinc/35/66/09/399356609.db2.gz	BGFQKUYKWYXLTQ-KRWDZBQOSA-N	0	3	300.402	2.534	20	30		DFEDHN
CCN1CCO[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000619508564	399355582	/nfs/dbraw/zinc/35/55/82/399355582.db2.gz	LQLKNUQTOJRMEC-IEBWSBKVSA-N	0	3	313.445	2.636	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000610348542	399359082	/nfs/dbraw/zinc/35/90/82/399359082.db2.gz	RIBORZIASGUENP-HUUCEWRRSA-N	0	3	314.433	2.650	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610406682	399364491	/nfs/dbraw/zinc/36/44/91/399364491.db2.gz	ITFUEURGUXLSRV-OAHLLOKOSA-N	0	3	316.449	2.848	20	30		DFEDHN
CC(C#N)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000610422722	399366349	/nfs/dbraw/zinc/36/63/49/399366349.db2.gz	MEHHYSPRTCYIGP-LBPRGKRZSA-N	0	3	300.358	2.846	20	30		DFEDHN
COc1cc(CNCCC(=O)N(C)c2ccccc2)ccc1C#N	ZINC000619652548	399371362	/nfs/dbraw/zinc/37/13/62/399371362.db2.gz	IAUQQOCYIBUEDJ-UHFFFAOYSA-N	0	3	323.396	2.710	20	30		DFEDHN
Cc1scc(CNC[C@H](O)CC2(C#N)CCOCC2)c1C	ZINC000601965909	399370656	/nfs/dbraw/zinc/37/06/56/399370656.db2.gz	BQUKZIPJZFUTHH-OAHLLOKOSA-N	0	3	308.447	2.526	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCc2cnccn2)cc1OC	ZINC000273780949	211051930	/nfs/dbraw/zinc/05/19/30/211051930.db2.gz	SSCKRPOWHDFCRZ-UHFFFAOYSA-N	0	3	313.401	2.725	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1CCOc1ccc(C#N)cc1	ZINC000610583003	399383274	/nfs/dbraw/zinc/38/32/74/399383274.db2.gz	KKJYQHZKLLDJSU-ROUUACIJSA-N	0	3	313.445	2.886	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1cccc(C#N)c1	ZINC000610578138	399382758	/nfs/dbraw/zinc/38/27/58/399382758.db2.gz	QIRHPSPBBWHSGH-QZTJIDSGSA-N	0	3	311.429	2.576	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1F	ZINC000285205039	218332350	/nfs/dbraw/zinc/33/23/50/218332350.db2.gz	DFZFSYAAHVMZJP-INIZCTEOSA-N	0	3	315.392	2.788	20	30		DFEDHN
CC(C)[C@H](CNCc1cccc(F)c1C#N)c1ccnn1C	ZINC000602017139	399385329	/nfs/dbraw/zinc/38/53/29/399385329.db2.gz	NNXGEYIHKYMFCI-HNNXBMFYSA-N	0	3	300.381	2.960	20	30		DFEDHN
Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(C#N)c1	ZINC000619815655	399393489	/nfs/dbraw/zinc/39/34/89/399393489.db2.gz	NGMLOWSJTZMKLJ-ZXFUBFMLSA-N	0	3	307.401	2.597	20	30		DFEDHN
C=CCOCCN[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21	ZINC000619822855	399394355	/nfs/dbraw/zinc/39/43/55/399394355.db2.gz	SHWSXSISNGVJJZ-SJORKVTESA-N	0	3	303.402	2.960	20	30		DFEDHN
C=CCOCCN[C@H]1CC[C@H](C(=O)OCC)c2ccccc21	ZINC000619822854	399393889	/nfs/dbraw/zinc/39/38/89/399393889.db2.gz	SHWSXSISNGVJJZ-IRXDYDNUSA-N	0	3	303.402	2.960	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C#N)ccc1C	ZINC000610717914	399397632	/nfs/dbraw/zinc/39/76/32/399397632.db2.gz	FBCLHNHVRFXRGL-HNNXBMFYSA-N	0	3	300.406	2.863	20	30		DFEDHN
CN1CCCC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000602133110	399399236	/nfs/dbraw/zinc/39/92/36/399399236.db2.gz	NKPFVEQYDVASBA-SFHVURJKSA-N	0	3	309.413	2.658	20	30		DFEDHN
C[C@@H](N[C@H](C)c1cccc(-n2cnnn2)c1)c1cccc(C#N)c1	ZINC000610829888	399410780	/nfs/dbraw/zinc/41/07/80/399410780.db2.gz	RBYTUSXRWZREOZ-ZIAGYGMSSA-N	0	3	318.384	2.946	20	30		DFEDHN
C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cnnn2)cc1	ZINC000610830378	399410839	/nfs/dbraw/zinc/41/08/39/399410839.db2.gz	OVALQDGAECMRQB-KBPBESRZSA-N	0	3	318.384	2.946	20	30		DFEDHN
CC(C)(NCCOc1ccccc1C#N)C(=O)Nc1ccccc1	ZINC000610844439	399411345	/nfs/dbraw/zinc/41/13/45/399411345.db2.gz	BRIDUOXLPWKQGB-UHFFFAOYSA-N	0	3	323.396	2.944	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H](CCO)COC)cc1	ZINC000268993187	207149564	/nfs/dbraw/zinc/14/95/64/207149564.db2.gz	HKAZPQFPYLOHER-DZGCQCFKSA-N	0	3	313.825	2.866	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610985471	399424434	/nfs/dbraw/zinc/42/44/34/399424434.db2.gz	AXKKCSHIKYPDST-AWEZNQCLSA-N	0	3	302.422	2.601	20	30		DFEDHN
Cc1ccccc1CN1CCCN(Cc2ccnc(C#N)c2)CC1	ZINC000610991694	399426240	/nfs/dbraw/zinc/42/62/40/399426240.db2.gz	MFKTVICMNOFBII-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000602340933	399427377	/nfs/dbraw/zinc/42/73/77/399427377.db2.gz	GFELUHNSKHELRA-BHYGNILZSA-N	0	3	318.465	2.775	20	30		DFEDHN
CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1C#N	ZINC000611121007	399436048	/nfs/dbraw/zinc/43/60/48/399436048.db2.gz	ZXSBWXAGLUYOHF-KBXCAEBGSA-N	0	3	311.429	2.685	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc3nnc(C(F)F)n3n2)CC1	ZINC000269053098	207202242	/nfs/dbraw/zinc/20/22/42/207202242.db2.gz	QWMVVVUMHSMPGX-UHFFFAOYSA-N	0	3	322.363	2.514	20	30		DFEDHN
COc1ccc(CN2CCN(C[C@@H](C)CCC#N)CC2)cc1F	ZINC000602430816	399442550	/nfs/dbraw/zinc/44/25/50/399442550.db2.gz	FBNGEPDMZWJADU-HNNXBMFYSA-N	0	3	319.424	2.892	20	30		DFEDHN
CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H](C)CCC#N	ZINC000602435965	399443463	/nfs/dbraw/zinc/44/34/63/399443463.db2.gz	WZXNPSVHIFRYQN-AWEZNQCLSA-N	0	3	305.397	2.704	20	30		DFEDHN
C[C@H](CCC#N)CN1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000602441709	399445461	/nfs/dbraw/zinc/44/54/61/399445461.db2.gz	RBJXEBFXNQIVLG-OAHLLOKOSA-N	0	3	317.408	2.913	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1OC	ZINC000623752382	399458518	/nfs/dbraw/zinc/45/85/18/399458518.db2.gz	DXVDJLIJKGPQJZ-WBVHZDCISA-N	0	3	303.402	2.917	20	30		DFEDHN
CCN(CC)[C@@H](CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602508283	399463708	/nfs/dbraw/zinc/46/37/08/399463708.db2.gz	LUWCGBMJMRWRRK-HXUWFJFHSA-N	0	3	322.456	2.996	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(F)cc1	ZINC000602512845	399465134	/nfs/dbraw/zinc/46/51/34/399465134.db2.gz	VHJFJYAQERDMJP-CQSZACIVSA-N	0	3	306.381	2.893	20	30		DFEDHN
CC(=O)Nc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1	ZINC000602513822	399465344	/nfs/dbraw/zinc/46/53/44/399465344.db2.gz	DVKTYFYFSUKTJF-AWEZNQCLSA-N	0	3	315.417	2.834	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1	ZINC000287668382	335046509	/nfs/dbraw/zinc/04/65/09/335046509.db2.gz	VRQJZWGJZCZYLH-IAGOWNOFSA-N	0	3	323.458	2.697	20	30		DFEDHN
C=C(C)CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000287411220	335045995	/nfs/dbraw/zinc/04/59/95/335045995.db2.gz	ZJYFRWVMCYJFCB-LJQANCHMSA-N	0	3	313.445	2.870	20	30		DFEDHN
COc1ccccc1N1CC[C@H](CNCc2cccc(C#N)n2)C1	ZINC000602529595	399468465	/nfs/dbraw/zinc/46/84/65/399468465.db2.gz	QHHJIXFPEDNZIE-OAHLLOKOSA-N	0	3	322.412	2.578	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCOC[C@H]1CCCO1	ZINC000611392900	399469710	/nfs/dbraw/zinc/46/97/10/399469710.db2.gz	UQUBWGXTAICBNL-SJLPKXTDSA-N	0	3	300.402	2.721	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1	ZINC000611427141	399475544	/nfs/dbraw/zinc/47/55/44/399475544.db2.gz	YDLJSBMELLZVMA-INIZCTEOSA-N	0	3	321.424	2.737	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000602562000	399476475	/nfs/dbraw/zinc/47/64/75/399476475.db2.gz	USVYTQLDHIVBIK-LJQANCHMSA-N	0	3	306.413	2.707	20	30		DFEDHN
C[C@H]1C[C@@H](NCc2cccc(C#N)n2)CN1Cc1ccccc1	ZINC000602569249	399478744	/nfs/dbraw/zinc/47/87/44/399478744.db2.gz	PVSTWNBICFWRQZ-HNAYVOBHSA-N	0	3	306.413	2.706	20	30		DFEDHN
CCc1nnc2n1C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000611470786	399479417	/nfs/dbraw/zinc/47/94/17/399479417.db2.gz	RDSFSJAZVYQEFQ-SMDDNHRTSA-N	0	3	313.380	2.517	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NCc1cccc(C#N)n1	ZINC000602578748	399481515	/nfs/dbraw/zinc/48/15/15/399481515.db2.gz	FWFSGRMJJCMELC-UHFFFAOYSA-N	0	3	308.429	2.953	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)n1	ZINC000602582690	399482482	/nfs/dbraw/zinc/48/24/82/399482482.db2.gz	RXBCYOBKTFAKIX-INIZCTEOSA-N	0	3	312.804	2.975	20	30		DFEDHN
C[C@@H](CCC#N)CNCc1nnc2n1CCC[C@H]2C(F)(F)F	ZINC000602607067	399488337	/nfs/dbraw/zinc/48/83/37/399488337.db2.gz	REJIUPXNNSYKRZ-WDEREUQCSA-N	0	3	315.343	2.747	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCC[C@@H](OC(F)F)C2)c1	ZINC000611579539	399496729	/nfs/dbraw/zinc/49/67/29/399496729.db2.gz	LIKMKUUZILOMST-CQSZACIVSA-N	0	3	323.343	2.590	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@H](C(N)=O)c1cccc(Br)c1	ZINC000602650069	399502322	/nfs/dbraw/zinc/50/23/22/399502322.db2.gz	RHAZWWILZHFEEP-GWCFXTLKSA-N	0	3	324.222	2.505	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)Cc1cccc(C#N)n1	ZINC000602658504	399505417	/nfs/dbraw/zinc/50/54/17/399505417.db2.gz	ZUYWXXIAEDSLTE-UHFFFAOYSA-N	0	3	322.456	2.950	20	30		DFEDHN
Cn1cc(CNCC(C)(C)CCC#N)c(C(=O)OC(C)(C)C)n1	ZINC000602661460	399507679	/nfs/dbraw/zinc/50/76/79/399507679.db2.gz	FPQBUOYZKXOADZ-UHFFFAOYSA-N	0	3	320.437	2.795	20	30		DFEDHN
N#Cc1ccc(CNCCc2csc(N3CCCC3)n2)cc1	ZINC000117945593	194859955	/nfs/dbraw/zinc/85/99/55/194859955.db2.gz	GGDVEMHMYKADKG-UHFFFAOYSA-N	0	3	312.442	2.947	20	30		DFEDHN
Cc1cccc2c1OC[C@@H](N[C@H](C)CC1(C#N)CCOCC1)C2	ZINC000602678763	399517069	/nfs/dbraw/zinc/51/70/69/399517069.db2.gz	YQFFUJCJOJFYLE-WBVHZDCISA-N	0	3	314.429	2.987	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2cccc(C#N)n2)CC1	ZINC000270069696	208129054	/nfs/dbraw/zinc/12/90/54/208129054.db2.gz	RKOLRBWUTRJOPM-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C1)OCC	ZINC000270106158	208164930	/nfs/dbraw/zinc/16/49/30/208164930.db2.gz	HZWJAICFBOFZPG-ROUUACIJSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@H]1COc2cc(F)ccc2C1	ZINC000602710940	399532416	/nfs/dbraw/zinc/53/24/16/399532416.db2.gz	MEDJUDUNRDHQNI-XJKSGUPXSA-N	0	3	318.392	2.818	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccco1)OCC	ZINC000270248807	208313056	/nfs/dbraw/zinc/31/30/56/208313056.db2.gz	XXDVEWCNPRJYDK-MRXNPFEDSA-N	0	3	308.422	2.541	20	30		DFEDHN
N#Cc1ccc(C2(NCc3c[nH]c4ncncc34)CCC2)cc1	ZINC000602711380	399534097	/nfs/dbraw/zinc/53/40/97/399534097.db2.gz	PKVNWZCUESEXHA-UHFFFAOYSA-N	0	3	303.369	2.950	20	30		DFEDHN
Cc1cccc2c1C[C@H](N[C@@H](C)CC1(C#N)CCOCC1)CO2	ZINC000602720707	399538633	/nfs/dbraw/zinc/53/86/33/399538633.db2.gz	MBEQGCKTFTVXDV-HOTGVXAUSA-N	0	3	314.429	2.987	20	30		DFEDHN
Cc1ccncc1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1	ZINC000611939659	399547317	/nfs/dbraw/zinc/54/73/17/399547317.db2.gz	SRUPMCUHDSURDZ-AWEZNQCLSA-N	0	3	308.385	2.941	20	30		DFEDHN
C=CC[C@@H](C)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000273030508	210410212	/nfs/dbraw/zinc/41/02/12/210410212.db2.gz	SAHLFYGVEQVQNR-ZWNOBZJWSA-N	0	3	300.324	2.656	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](NCc3cccc(C#N)n3)C2)cc1	ZINC000602740274	399549966	/nfs/dbraw/zinc/54/99/66/399549966.db2.gz	AYZCWNARXOISCW-IBGZPJMESA-N	0	3	306.413	2.626	20	30		DFEDHN
CC(C)CO[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000120196308	195117679	/nfs/dbraw/zinc/11/76/79/195117679.db2.gz	OGTSJTOCJINZIS-KRWDZBQOSA-N	0	3	315.417	2.634	20	30		DFEDHN
CCN(CC1CCS(=O)(=O)CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000270433420	208514425	/nfs/dbraw/zinc/51/44/25/208514425.db2.gz	INZBEBZLFILJFA-CQSZACIVSA-N	0	3	320.458	2.766	20	30		DFEDHN
N#CCCN1CCN(CCCCCOc2ccccc2)CC1	ZINC000602747854	399554898	/nfs/dbraw/zinc/55/48/98/399554898.db2.gz	GRGGCRHEDUFQAE-UHFFFAOYSA-N	0	3	301.434	2.767	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000272940616	210327518	/nfs/dbraw/zinc/32/75/18/210327518.db2.gz	LXQKCDKQOMCJCG-HNNXBMFYSA-N	0	3	317.433	2.670	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1	ZINC000612036920	399562240	/nfs/dbraw/zinc/56/22/40/399562240.db2.gz	YQHDBPIAHJTHEB-QGZVFWFLSA-N	0	3	300.406	2.906	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC(c2cc(C)[nH]n2)CC1	ZINC000272899897	210287059	/nfs/dbraw/zinc/28/70/59/210287059.db2.gz	GBBCNNDXJPOCEU-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC(c2cc(C)n[nH]2)CC1	ZINC000272899897	210287062	/nfs/dbraw/zinc/28/70/62/210287062.db2.gz	GBBCNNDXJPOCEU-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
C=C(CNC(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1	ZINC000287950092	335050369	/nfs/dbraw/zinc/05/03/69/335050369.db2.gz	GUDIVZDDKFXRCT-KRWDZBQOSA-N	0	3	301.434	2.826	20	30		DFEDHN
N#CCC1(CN2CCC(n3cc(Br)cn3)CC2)CC1	ZINC000602781660	399570817	/nfs/dbraw/zinc/57/08/17/399570817.db2.gz	FGKDBQUAEGKAFT-UHFFFAOYSA-N	0	3	323.238	2.976	20	30		DFEDHN
CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C#N)cc1	ZINC000157704549	197209145	/nfs/dbraw/zinc/20/91/45/197209145.db2.gz	UTPDTDYUOAZIKY-CYBMUJFWSA-N	0	3	313.361	2.746	20	30		DFEDHN
CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C#N)cc1	ZINC000157704400	197208404	/nfs/dbraw/zinc/20/84/04/197208404.db2.gz	UTPDTDYUOAZIKY-ZDUSSCGKSA-N	0	3	313.361	2.746	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288133338	335053102	/nfs/dbraw/zinc/05/31/02/335053102.db2.gz	IRQDLBYSHUEOOJ-WMZOPIPTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCC1(C(=O)N2CCC(CC)(N3CCOCC3)CC2)CCC1	ZINC000629416193	399597772	/nfs/dbraw/zinc/59/77/72/399597772.db2.gz	HDIFEVUUKLVLPJ-UHFFFAOYSA-N	0	3	320.477	2.836	20	30		DFEDHN
COc1ccc([C@H](C)CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602852084	399603636	/nfs/dbraw/zinc/60/36/36/399603636.db2.gz	ZUEXMZUZTUVKFA-PMPSAXMXSA-N	0	3	301.434	2.717	20	30		DFEDHN
COc1ccc([C@H](C)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602852082	399603296	/nfs/dbraw/zinc/60/32/96/399603296.db2.gz	ZUEXMZUZTUVKFA-OAGGEKHMSA-N	0	3	301.434	2.717	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000155245597	197035822	/nfs/dbraw/zinc/03/58/22/197035822.db2.gz	MAIQQAJTBRJFSZ-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
Cc1cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c2ccccc2n1	ZINC000602854272	399603950	/nfs/dbraw/zinc/60/39/50/399603950.db2.gz	BFJXHDVJJXXLGB-IYBDPMFKSA-N	0	3	308.429	2.961	20	30		DFEDHN
COc1ccccc1CCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602855375	399605071	/nfs/dbraw/zinc/60/50/71/399605071.db2.gz	TVJUXYRYJXNORJ-HOTGVXAUSA-N	0	3	301.434	2.546	20	30		DFEDHN
Cc1ccccc1OCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602858368	399605813	/nfs/dbraw/zinc/60/58/13/399605813.db2.gz	RMIMNULSDJZMRE-IRXDYDNUSA-N	0	3	301.434	2.682	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](c3ccc4cccnc4n3)C2)nc1	ZINC000602889934	399617085	/nfs/dbraw/zinc/61/70/85/399617085.db2.gz	XHBSHWNRRUUMLL-INIZCTEOSA-N	0	3	315.380	2.886	20	30		DFEDHN
Cn1cncc1CCCN1CCC(Nc2ccccc2C#N)CC1	ZINC000602900928	399619464	/nfs/dbraw/zinc/61/94/64/399619464.db2.gz	OTXLFUMGBYKFOO-UHFFFAOYSA-N	0	3	323.444	2.801	20	30		DFEDHN
N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccn1	ZINC000602919512	399627255	/nfs/dbraw/zinc/62/72/55/399627255.db2.gz	KIFKOJFXSBHGGD-SJORKVTESA-N	0	3	315.323	2.851	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C#N)c(F)c1	ZINC000289634261	221117734	/nfs/dbraw/zinc/11/77/34/221117734.db2.gz	FHNOYUMKYDJBCS-CABCVRRESA-N	0	3	316.380	2.788	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCC1(F)F	ZINC000289765573	221210660	/nfs/dbraw/zinc/21/06/60/221210660.db2.gz	KYXXZIZEEZFVBI-GFCCVEGCSA-N	0	3	307.344	2.864	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1	ZINC000289831067	221256502	/nfs/dbraw/zinc/25/65/02/221256502.db2.gz	OTTOVNJTHXEZKY-UHFFFAOYSA-N	0	3	318.424	2.994	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@@H](C2CCC2)CC1)C1CC1	ZINC000603000292	399655594	/nfs/dbraw/zinc/65/55/94/399655594.db2.gz	ZJQIFKJLULGWJK-CRAIPNDOSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCC2)CC1	ZINC000602999951	399656230	/nfs/dbraw/zinc/65/62/30/399656230.db2.gz	QASSYQUJECYQCS-ZBFHGGJFSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1	ZINC000603083854	399677143	/nfs/dbraw/zinc/67/71/43/399677143.db2.gz	NCJAPNIVJCLVFA-UHFFFAOYSA-N	0	3	320.396	2.500	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000612597777	399685202	/nfs/dbraw/zinc/68/52/02/399685202.db2.gz	DVEDRNBHHAQQMI-CVEARBPZSA-N	0	3	317.820	2.910	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)Nc2ccnc(C#N)c2)N(C)C)cc1	ZINC000603138542	399691939	/nfs/dbraw/zinc/69/19/39/399691939.db2.gz	KDCIWCJHYDRWHC-QGZVFWFLSA-N	0	3	323.400	2.686	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CCO)C2)cc1OC	ZINC000093106613	542551253	/nfs/dbraw/zinc/55/12/53/542551253.db2.gz	XTNGBWYKRGRLHR-OAHLLOKOSA-N	0	3	305.418	2.854	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1	ZINC000621243821	399730951	/nfs/dbraw/zinc/73/09/51/399730951.db2.gz	RSPGJPJHQLTDCM-QGZVFWFLSA-N	0	3	314.429	2.882	20	30		DFEDHN
CCC[C@@H]1CN(Cc2cc(F)ccc2C#N)CCN1CCOC	ZINC000121665405	195326572	/nfs/dbraw/zinc/32/65/72/195326572.db2.gz	VCBSVFREOABOGO-GOSISDBHSA-N	0	3	319.424	2.630	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)OC1CCOCC1)C(C)C	ZINC000289360930	335062883	/nfs/dbraw/zinc/06/28/83/335062883.db2.gz	ACGJGCDYJUMOGG-INIZCTEOSA-N	0	3	310.438	2.590	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2c(C#N)cnn2-c2ccccc2)CN1C1CC1	ZINC000603307970	399739614	/nfs/dbraw/zinc/73/96/14/399739614.db2.gz	DQUNARXOXQJUHJ-HIFRSBDPSA-N	0	3	307.401	2.781	20	30		DFEDHN
C=C[C@@H](CC(=O)NCCN1CCC(OC)CC1)c1ccccc1	ZINC000122573448	542590254	/nfs/dbraw/zinc/59/02/54/542590254.db2.gz	IQRJUWWWGHMPMF-INIZCTEOSA-N	0	3	316.445	2.573	20	30		DFEDHN
CCN1CCCN(c2cc(C#N)c(Br)cn2)[C@@H](C)C1	ZINC000603400885	399766093	/nfs/dbraw/zinc/76/60/93/399766093.db2.gz	KZRJPJZIYPWHJH-NSHDSACASA-N	0	3	323.238	2.636	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000613145092	399803079	/nfs/dbraw/zinc/80/30/79/399803079.db2.gz	UVWUHRDTWCKXPX-UONOGXRCSA-N	0	3	316.405	2.571	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cnc(C)s2)CC1	ZINC000632986981	399817427	/nfs/dbraw/zinc/81/74/27/399817427.db2.gz	SMCIHHFPSCSTDZ-GFCCVEGCSA-N	0	3	322.478	2.852	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cnc(C)s2)CC1	ZINC000632986982	399817676	/nfs/dbraw/zinc/81/76/76/399817676.db2.gz	SMCIHHFPSCSTDZ-LBPRGKRZSA-N	0	3	322.478	2.852	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000290124448	335069354	/nfs/dbraw/zinc/06/93/54/335069354.db2.gz	ZBBSXYFNWTWOQE-HXUWFJFHSA-N	0	3	318.420	2.601	20	30		DFEDHN
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000286134932	542999979	/nfs/dbraw/zinc/99/99/79/542999979.db2.gz	XGKISWJPZPUHMW-ZIAGYGMSSA-N	0	3	312.335	2.599	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1[C@@H]1CCCOC1	ZINC000626392927	399843125	/nfs/dbraw/zinc/84/31/25/399843125.db2.gz	KANQVXUYLTYJRD-GDBMZVCRSA-N	0	3	324.384	2.737	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1cccs1	ZINC000329219698	543101024	/nfs/dbraw/zinc/10/10/24/543101024.db2.gz	ACXKPLOAMNSMQF-QWHCGFSZSA-N	0	3	323.462	2.697	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2	ZINC000329562818	543106040	/nfs/dbraw/zinc/10/60/40/543106040.db2.gz	NFQIKMMFHWKATD-BZNIZROVSA-N	0	3	313.401	2.812	20	30		DFEDHN
Cc1cccc(OC[C@H](C)NC(=O)N[C@H]2CCN(C3CC3)C2)c1	ZINC000329329319	543102949	/nfs/dbraw/zinc/10/29/49/543102949.db2.gz	YJMSRPQFKBVOPC-GJZGRUSLSA-N	0	3	317.433	2.503	20	30		DFEDHN
C[C@H](CNC(=O)c1csc(NC2CC2)n1)N1CCC(C)CC1	ZINC000329486763	543104769	/nfs/dbraw/zinc/10/47/69/543104769.db2.gz	TXJFHTDIBAERBK-GFCCVEGCSA-N	0	3	322.478	3.142	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2cccc(C#N)c2)[C@H]1C	ZINC000072665685	145188936	/nfs/dbraw/zinc/18/89/36/145188936.db2.gz	IXBIYQWFGCXXDW-QWHCGFSZSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2ccc(OCCN(C)C)cc2OC)C1	ZINC000633418960	399901252	/nfs/dbraw/zinc/90/12/52/399901252.db2.gz	HWEYNWIZNZYZHK-UHFFFAOYSA-N	0	3	318.417	2.930	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CC)C2CCN(C)CC2)cc1	ZINC000627620018	399947935	/nfs/dbraw/zinc/94/79/35/399947935.db2.gz	DZVMJGRZIZBPOJ-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
N#CC(C(=O)c1cnn(CC2CC2)c1)c1nc2ccccc2[nH]1	ZINC000633894254	399958693	/nfs/dbraw/zinc/95/86/93/399958693.db2.gz	GOUODHJXSNLTJT-ZDUSSCGKSA-N	0	3	305.341	2.659	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1	ZINC000628486863	400036217	/nfs/dbraw/zinc/03/62/17/400036217.db2.gz	RXHODALJYIHNTL-SJLPKXTDSA-N	0	3	313.445	2.718	20	30		DFEDHN
C=CCC1(NCc2cn(C[C@@H]3CCOC3)nn2)CCCCC1	ZINC000631151386	399990858	/nfs/dbraw/zinc/99/08/58/399990858.db2.gz	HXIQRXQZTNGXIY-HNNXBMFYSA-N	0	3	304.438	2.683	20	30		DFEDHN
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H](N)CCCC#N	ZINC000424095401	543341965	/nfs/dbraw/zinc/34/19/65/543341965.db2.gz	NMKRLHFGVRDGAV-CYBMUJFWSA-N	0	3	314.216	2.973	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H]2CCO[C@H]2c2ccccc2)nn1	ZINC000631247966	400012287	/nfs/dbraw/zinc/01/22/87/400012287.db2.gz	PVRCETUJYYCIIX-WMZOPIPTSA-N	0	3	312.417	2.722	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)c1ccncc1)C(C)C	ZINC000631274638	400016466	/nfs/dbraw/zinc/01/64/66/400016466.db2.gz	REPLVZLPLJFBMW-WMZOPIPTSA-N	0	3	315.461	3.000	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1csc2ccccc12	ZINC000424092393	543342335	/nfs/dbraw/zinc/34/23/35/543342335.db2.gz	OUGBUIIMSZTGMZ-CQSZACIVSA-N	0	3	301.415	2.581	20	30		DFEDHN
N#Cc1nc(N2CCN(CC3CC3)CC2)ccc1C(F)(F)F	ZINC000443512136	543357822	/nfs/dbraw/zinc/35/78/22/543357822.db2.gz	RTPXUGBRZGNOCO-UHFFFAOYSA-N	0	3	310.323	2.504	20	30		DFEDHN
CCN(CCN1CCO[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000249038274	146184392	/nfs/dbraw/zinc/18/43/92/146184392.db2.gz	MPPPWVFXKYAMIY-JKSUJKDBSA-N	0	3	301.434	2.662	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C(c1ccccc1)c1ccccc1	ZINC000491676827	543407293	/nfs/dbraw/zinc/40/72/93/543407293.db2.gz	XGVBLUVKTHFECR-UHFFFAOYSA-N	0	3	320.436	2.890	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccnc(C#N)c2)C1	ZINC000355048174	147219731	/nfs/dbraw/zinc/21/97/31/147219731.db2.gz	YFPCXWLRLTXAIH-PBHICJAKSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)n1	ZINC000355468575	147328114	/nfs/dbraw/zinc/32/81/14/147328114.db2.gz	MGVBNBJYTWCOSN-MJGOQNOKSA-N	0	3	318.424	2.879	20	30		DFEDHN
CCN1C[C@@H](C)N(c2cc(C#N)c(Br)cn2)C[C@@H]1C	ZINC000603334163	543471769	/nfs/dbraw/zinc/47/17/69/543471769.db2.gz	QIPYDZJVRDZYBA-WDEREUQCSA-N	0	3	323.238	2.635	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1	ZINC000357684297	148083569	/nfs/dbraw/zinc/08/35/69/148083569.db2.gz	KSNTXJWPXBQZKN-HNNXBMFYSA-N	0	3	302.378	2.999	20	30		DFEDHN
C[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C#N)cc1	ZINC000357996154	148204248	/nfs/dbraw/zinc/20/42/48/148204248.db2.gz	QDMGQJRWKSUWCT-KBPBESRZSA-N	0	3	318.384	2.946	20	30		DFEDHN
N#Cc1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)s1	ZINC000361048653	149017697	/nfs/dbraw/zinc/01/76/97/149017697.db2.gz	ABAVLYFMZCQWPW-HNNXBMFYSA-N	0	3	313.426	2.798	20	30		DFEDHN
COc1ccc2c(c1)[C@@](O)(CNCc1cccc(C#N)c1)CCC2	ZINC000371312326	150020770	/nfs/dbraw/zinc/02/07/70/150020770.db2.gz	BTMNIOJPGRMIKJ-FQEVSTJZSA-N	0	3	322.408	2.881	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000371410906	150042627	/nfs/dbraw/zinc/04/26/27/150042627.db2.gz	INTMXIGASUYYOM-BQYQJAHWSA-N	0	3	309.413	2.658	20	30		DFEDHN
Cn1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1	ZINC000371541527	150062397	/nfs/dbraw/zinc/06/23/97/150062397.db2.gz	CAIYFHGVPFMUNK-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3ccsc3)CC2)o1	ZINC000371798222	150096280	/nfs/dbraw/zinc/09/62/80/150096280.db2.gz	YLWHPFXWZSGLMI-UHFFFAOYSA-N	0	3	301.415	2.967	20	30		DFEDHN
C[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)s1	ZINC000372515309	150177957	/nfs/dbraw/zinc/17/79/57/150177957.db2.gz	VANIKPBGGZVMNS-IHRRRGAJSA-N	0	3	305.447	2.524	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2[N+](=O)[O-])C1	ZINC000295573867	533677020	/nfs/dbraw/zinc/67/70/20/533677020.db2.gz	RLKGFBIFZMPUEV-GFCCVEGCSA-N	0	3	317.393	2.784	20	30		DFEDHN
COc1cc(CN(CCN(C)C)Cc2ccccn2)ccc1C#N	ZINC000349332342	158227160	/nfs/dbraw/zinc/22/71/60/158227160.db2.gz	NLMCYBRGLABCSQ-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
C=CCNC(=O)CN(Cc1ccc(OC)cc1)[C@H](C)C1CC1	ZINC000053097923	425886773	/nfs/dbraw/zinc/88/67/73/425886773.db2.gz	CQIHEIFZNJICLX-CQSZACIVSA-N	0	3	302.418	2.598	20	30		DFEDHN
COc1ccccc1[C@@H](CNCc1cccc(C#N)c1)N(C)C	ZINC000053095294	425886934	/nfs/dbraw/zinc/88/69/34/425886934.db2.gz	NWQWPRJGFHZRRM-GOSISDBHSA-N	0	3	309.413	2.959	20	30		DFEDHN
C=C(C)C[NH+]1CCC(NC(=O)c2cc(SC)ccc2[O-])CC1	ZINC000668370007	543798537	/nfs/dbraw/zinc/79/85/37/543798537.db2.gz	KSYZSNFYGGTXJJ-UHFFFAOYSA-N	0	3	320.458	2.884	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CCc3cc(F)ccc32)CC1	ZINC000668369019	543798786	/nfs/dbraw/zinc/79/87/86/543798786.db2.gz	MIEMHOWFFHJOHP-QGZVFWFLSA-N	0	3	302.393	2.622	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)cc(OC)c1O	ZINC000668596802	543834461	/nfs/dbraw/zinc/83/44/61/543834461.db2.gz	MQSLXSOZYCJJQU-CRAIPNDOSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncccc1F)C(C)C	ZINC000668683376	543845236	/nfs/dbraw/zinc/84/52/36/543845236.db2.gz	VYKLJTWARHMWMY-HNNXBMFYSA-N	0	3	305.397	2.649	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC3(COC3)C2)ccc1OC	ZINC000668719923	543853541	/nfs/dbraw/zinc/85/35/41/543853541.db2.gz	FXXXFVVPSURDAQ-UHFFFAOYSA-N	0	3	303.402	2.872	20	30		DFEDHN
O=C1C[C@@H]([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)CN1	ZINC000671453268	544075099	/nfs/dbraw/zinc/07/50/99/544075099.db2.gz	KULHLCVCYXUQTR-JKSUJKDBSA-N	0	3	316.832	2.540	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000671697447	544098544	/nfs/dbraw/zinc/09/85/44/544098544.db2.gz	CINZSNQHSRQAAT-AWEZNQCLSA-N	0	3	303.324	2.997	20	30		DFEDHN
N#Cc1ncccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000290978733	222045941	/nfs/dbraw/zinc/04/59/41/222045941.db2.gz	RDMOOKFLKULMFG-QGZVFWFLSA-N	0	3	322.412	2.656	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NC1CCN(C)CC1)c1ccc(F)c(F)c1	ZINC000184596510	335079977	/nfs/dbraw/zinc/07/99/77/335079977.db2.gz	VDKIVBBWSXGORA-INIZCTEOSA-N	0	3	323.387	2.975	20	30		DFEDHN
Cn1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1C#N	ZINC000291375067	222351028	/nfs/dbraw/zinc/35/10/28/222351028.db2.gz	ZRTVSJLOURNSSS-FQEVSTJZSA-N	0	3	323.440	2.714	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2ncc(Br)cc2C#N)CN1C1CC1	ZINC000297509297	227246072	/nfs/dbraw/zinc/24/60/72/227246072.db2.gz	NQMGRKBOHOPPKP-SKDRFNHKSA-N	0	3	321.222	2.753	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2ncc(Br)cc2C#N)CN1C1CC1	ZINC000297509289	227246504	/nfs/dbraw/zinc/24/65/04/227246504.db2.gz	NQMGRKBOHOPPKP-JOYOIKCWSA-N	0	3	321.222	2.753	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000674934361	544278409	/nfs/dbraw/zinc/27/84/09/544278409.db2.gz	ZAWRXALIIWSENV-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCC[C@H](O)CN(C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000675486879	544315814	/nfs/dbraw/zinc/31/58/14/544315814.db2.gz	PFKDMQGEFPUHIU-HOTGVXAUSA-N	0	3	304.434	2.533	20	30		DFEDHN
C=C(C)COCCNCc1c[nH]nc1-c1cccc(OC)c1	ZINC000675552965	544319142	/nfs/dbraw/zinc/31/91/42/544319142.db2.gz	XXDWVSMNLYOFPR-UHFFFAOYSA-N	0	3	301.390	2.768	20	30		DFEDHN
CCC#C[C@H](C)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000677048190	544425542	/nfs/dbraw/zinc/42/55/42/544425542.db2.gz	PIVXNGOADLBUTE-HOTGVXAUSA-N	0	3	300.450	2.986	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000677048189	544425656	/nfs/dbraw/zinc/42/56/56/544425656.db2.gz	PIVXNGOADLBUTE-CVEARBPZSA-N	0	3	300.450	2.986	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000677479523	544496160	/nfs/dbraw/zinc/49/61/60/544496160.db2.gz	OMLGCQNECDDWCF-OAHLLOKOSA-N	0	3	316.420	2.956	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC)[C@H](C)C2)cc1OC	ZINC000678261265	544636092	/nfs/dbraw/zinc/63/60/92/544636092.db2.gz	JMXNQNJHOCQSSM-OAHLLOKOSA-N	0	3	304.434	2.786	20	30		DFEDHN
CN(C)CCN(C(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000299530651	229186234	/nfs/dbraw/zinc/18/62/34/229186234.db2.gz	BWYWUWBYVQWMHJ-UHFFFAOYSA-N	0	3	307.397	2.696	20	30		DFEDHN
N#CCCCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000068824665	425921644	/nfs/dbraw/zinc/92/16/44/425921644.db2.gz	GLCHIRCCIBAJPY-AWEZNQCLSA-N	0	3	318.396	2.963	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)Nc1cccc2c1CN(CCC(C)C)C2	ZINC000102778797	425928367	/nfs/dbraw/zinc/92/83/67/425928367.db2.gz	GLLAJAKJKUXXAV-OAHLLOKOSA-N	0	3	313.445	2.598	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(OC2CCC2)CC1	ZINC000419291811	270000464	/nfs/dbraw/zinc/00/04/64/270000464.db2.gz	XPBGNTORRSVDTK-UHFFFAOYSA-N	0	3	300.402	2.971	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@H]3CCC(F)(F)C3)CC2)n1	ZINC000450748483	270001453	/nfs/dbraw/zinc/00/14/53/270001453.db2.gz	UBCPZNDBXUYNHG-ZDUSSCGKSA-N	0	3	306.360	2.511	20	30		DFEDHN
CC1CCC(O)(CN2CCN(c3ccccc3C#N)CC2)CC1	ZINC000156148093	425931958	/nfs/dbraw/zinc/93/19/58/425931958.db2.gz	DVAPFXGMHDQIRL-UHFFFAOYSA-N	0	3	313.445	2.621	20	30		DFEDHN
CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1	ZINC000156326879	425932962	/nfs/dbraw/zinc/93/29/62/425932962.db2.gz	QACOGIXCPNGXFZ-ZDUSSCGKSA-N	0	3	319.368	2.524	20	30		DFEDHN
C=C[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1	ZINC000352473882	265646915	/nfs/dbraw/zinc/64/69/15/265646915.db2.gz	YZSBZORANZCFSH-SFHVURJKSA-N	0	3	308.381	2.774	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1	ZINC000352664065	266148932	/nfs/dbraw/zinc/14/89/32/266148932.db2.gz	ARKUZZKADYAFSL-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000348480636	266348152	/nfs/dbraw/zinc/34/81/52/266348152.db2.gz	RWRCFBUYWYIEIF-GJZGRUSLSA-N	0	3	303.431	2.761	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCCC[C@H]1CCO	ZINC000342033232	266792620	/nfs/dbraw/zinc/79/26/20/266792620.db2.gz	NREWGVCMRODONX-INIZCTEOSA-N	0	3	318.417	2.573	20	30		DFEDHN
C[C@@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000342565415	267018349	/nfs/dbraw/zinc/01/83/49/267018349.db2.gz	GQRBVHUTXNDUHD-CRAIPNDOSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1	ZINC000345169744	267029468	/nfs/dbraw/zinc/02/94/68/267029468.db2.gz	HHZRKCGXEAMQNM-QAPCUYQASA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N	ZINC000342180417	267045731	/nfs/dbraw/zinc/04/57/31/267045731.db2.gz	AWEARLMDGIBIMN-SKDRFNHKSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)CCc1ccc(C#N)cc1	ZINC000344717546	267144230	/nfs/dbraw/zinc/14/42/30/267144230.db2.gz	RJTFMONWFHVBFZ-OAHLLOKOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000452010792	267146368	/nfs/dbraw/zinc/14/63/68/267146368.db2.gz	FOYAWSJRDRIMLI-HUUCEWRRSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1	ZINC000348137004	267182183	/nfs/dbraw/zinc/18/21/83/267182183.db2.gz	PNEMQMLMRMPBNZ-AAEUAGOBSA-N	0	3	321.808	2.555	20	30		DFEDHN
C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C#N)cc1	ZINC000342729932	267185844	/nfs/dbraw/zinc/18/58/44/267185844.db2.gz	OFUXSYWKVIQUOK-ZDUSSCGKSA-N	0	3	301.353	2.928	20	30		DFEDHN
CC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1	ZINC000447601203	267194382	/nfs/dbraw/zinc/19/43/82/267194382.db2.gz	PBPWMPYUZVIOAD-JKSUJKDBSA-N	0	3	306.431	2.566	20	30		DFEDHN
CC[C@H]1CN(CC)CCN1CCCOc1cccc(C#N)c1	ZINC000451727325	267231073	/nfs/dbraw/zinc/23/10/73/267231073.db2.gz	ATQDMBYLVGFUAQ-KRWDZBQOSA-N	0	3	301.434	2.743	20	30		DFEDHN
CN(C(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CCN(C)CC1	ZINC000454148925	267270784	/nfs/dbraw/zinc/27/07/84/267270784.db2.gz	OPMJSWYQMVVWOQ-UHFFFAOYSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)NCCc1cccc(C#N)c1	ZINC000487543245	267284569	/nfs/dbraw/zinc/28/45/69/267284569.db2.gz	UCEHTGHNNOHSRH-UHFFFAOYSA-N	0	3	307.397	2.592	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCCc1cccc(C#N)c1)c1ccccc1	ZINC000416222779	267285706	/nfs/dbraw/zinc/28/57/06/267285706.db2.gz	FSOGLMPRKFMTGN-IBGZPJMESA-N	0	3	321.424	2.910	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000448017338	267334316	/nfs/dbraw/zinc/33/43/16/267334316.db2.gz	YQQLBMKCLXMTNK-HNNXBMFYSA-N	0	3	318.396	2.939	20	30		DFEDHN
Cc1cc(N2CCN(C)C[C@@H]2C)n2c3ccccc3nc2c1C#N	ZINC000344432843	267337089	/nfs/dbraw/zinc/33/70/89/267337089.db2.gz	LMYLMMCBSYYZMH-AWEZNQCLSA-N	0	3	319.412	2.808	20	30		DFEDHN
CN1CCc2ncnc(Sc3ccc(C#N)cc3F)c2C1	ZINC000524684826	267341361	/nfs/dbraw/zinc/34/13/61/267341361.db2.gz	NXCXPCUCVYQNRX-UHFFFAOYSA-N	0	3	300.362	2.626	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000435257807	267341829	/nfs/dbraw/zinc/34/18/29/267341829.db2.gz	OGUAZZOUDZBPFT-AEFFLSMTSA-N	0	3	323.440	2.533	20	30		DFEDHN
COC(=O)c1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1C	ZINC000418141904	267401100	/nfs/dbraw/zinc/40/11/00/267401100.db2.gz	GOZIPXMWHKZKNB-KRWDZBQOSA-N	0	3	323.396	2.851	20	30		DFEDHN
Cn1cc(CN[C@H]2C[C@H]2C(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000342219703	267801756	/nfs/dbraw/zinc/80/17/56/267801756.db2.gz	JLIUZSQUZKIMKH-KGLIPLIRSA-N	0	3	302.328	2.702	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000025865777	425808176	/nfs/dbraw/zinc/80/81/76/425808176.db2.gz	ZASHADHDVMCSBF-QAPCUYQASA-N	0	3	310.397	2.843	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000045027209	425859710	/nfs/dbraw/zinc/85/97/10/425859710.db2.gz	KEIXDMAPFRWDHZ-GOSISDBHSA-N	0	3	320.396	2.954	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C#N)c1)C(C)C	ZINC000046049473	425863973	/nfs/dbraw/zinc/86/39/73/425863973.db2.gz	OSOMXEDSSMZKDB-SFHVURJKSA-N	0	3	311.429	2.987	20	30		DFEDHN
CCC(CC)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000042955367	425853999	/nfs/dbraw/zinc/85/39/99/425853999.db2.gz	ISPALHNKDRYBOC-UHFFFAOYSA-N	0	3	316.449	2.820	20	30		DFEDHN
Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)cn1	ZINC000425261829	268005216	/nfs/dbraw/zinc/00/52/16/268005216.db2.gz	WYJHCMSVNHEKEX-LPHOPBHVSA-N	0	3	321.428	2.786	20	30		DFEDHN
CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000191716543	268011932	/nfs/dbraw/zinc/01/19/32/268011932.db2.gz	IDRLHBBBRFSBDY-HBNTYKKESA-N	0	3	309.797	2.552	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2CCCN2CCc2ccccc2)o1	ZINC000360022645	268074300	/nfs/dbraw/zinc/07/43/00/268074300.db2.gz	PYZGGEHMGFMZPE-QGZVFWFLSA-N	0	3	309.413	2.948	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](c3ccco3)C2)cc1	ZINC000366215847	268083570	/nfs/dbraw/zinc/08/35/70/268083570.db2.gz	LGCPFPAHQPOYKB-IRXDYDNUSA-N	0	3	319.364	2.850	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cc2)cc1	ZINC000347967372	268090878	/nfs/dbraw/zinc/09/08/78/268090878.db2.gz	HOMUYZTXPLPQLT-MRXNPFEDSA-N	0	3	307.328	2.696	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCc2ccccc2)cc1	ZINC000279575707	268090986	/nfs/dbraw/zinc/09/09/86/268090986.db2.gz	ZDOVORBEARTLMX-LJQANCHMSA-N	0	3	317.392	2.990	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCOCC3CC3)CC2)c(F)c1	ZINC000353008685	268166989	/nfs/dbraw/zinc/16/69/89/268166989.db2.gz	OBHKBTGZESDNHX-UHFFFAOYSA-N	0	3	318.392	2.967	20	30		DFEDHN
N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000264584468	268174420	/nfs/dbraw/zinc/17/44/20/268174420.db2.gz	KFOVZIAXXRSWPK-GFOMBABLSA-N	0	3	309.413	2.658	20	30		DFEDHN
N#Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)ccc1F	ZINC000528962027	268187283	/nfs/dbraw/zinc/18/72/83/268187283.db2.gz	AKJOCCSGGFYHOP-HNNXBMFYSA-N	0	3	316.380	2.836	20	30		DFEDHN
Cc1ccc(C#N)c(NCCc2ccc(OCCN(C)C)cc2)n1	ZINC000270864846	268227815	/nfs/dbraw/zinc/22/78/15/268227815.db2.gz	AIZJIJGEHOSLDB-UHFFFAOYSA-N	0	3	324.428	2.857	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1	ZINC000428532864	268233385	/nfs/dbraw/zinc/23/33/85/268233385.db2.gz	GATZXDWPWAZHQD-OALUTQOASA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1	ZINC000292657048	268264835	/nfs/dbraw/zinc/26/48/35/268264835.db2.gz	ACZCNMMXSPUXRU-CRAIPNDOSA-N	0	3	322.412	2.901	20	30		DFEDHN
N#Cc1ccnc(N2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)c1	ZINC000367517683	268295802	/nfs/dbraw/zinc/29/58/02/268295802.db2.gz	DBGNUAKMWPQUSY-ROUUACIJSA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1cnccc1N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000363700557	268315781	/nfs/dbraw/zinc/31/57/81/268315781.db2.gz	KOVPVZRVSWYKEQ-VQIMIIECSA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1csc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1	ZINC000177111440	268318971	/nfs/dbraw/zinc/31/89/71/268318971.db2.gz	GMFMIEHCDQHGJF-CQSZACIVSA-N	0	3	303.431	2.614	20	30		DFEDHN
N#Cc1cscc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000519709785	268319053	/nfs/dbraw/zinc/31/90/53/268319053.db2.gz	OXZOSJSPNWADNW-UHFFFAOYSA-N	0	3	303.431	2.568	20	30		DFEDHN
C[C@@H]1CCCC[C@]1(C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000308696435	268335240	/nfs/dbraw/zinc/33/52/40/268335240.db2.gz	MVHSEXDKIKZDRA-PBHICJAKSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H]2CN2CCOCC2)c1	ZINC000125631986	425982933	/nfs/dbraw/zinc/98/29/33/425982933.db2.gz	LZVCDYBABOKMGN-GOSISDBHSA-N	0	3	316.445	2.548	20	30		DFEDHN
Cc1cccc(NC(=O)[C@@H]2CCCN(CCC(C)(C)C#N)C2)n1	ZINC000157719205	425940003	/nfs/dbraw/zinc/94/00/03/425940003.db2.gz	KKVGXTVTVGYZDU-OAHLLOKOSA-N	0	3	314.433	2.980	20	30		DFEDHN
N#Cc1ccc(OC2CCN(C[C@@H]3CCCCO3)CC2)cc1	ZINC000069588038	425947563	/nfs/dbraw/zinc/94/75/63/425947563.db2.gz	NYZXQQZPXNNUEE-SFHVURJKSA-N	0	3	300.402	2.971	20	30		DFEDHN
C=C(C)CN(CC)Cc1ccccc1OCC(=O)NCC1CC1	ZINC000159003686	425953067	/nfs/dbraw/zinc/95/30/67/425953067.db2.gz	YYTLUXDYLXVTHJ-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)OCc2ccccc2)CC1	ZINC000106035713	425969952	/nfs/dbraw/zinc/96/99/52/425969952.db2.gz	MGHYYYUTJDYKOG-MRXNPFEDSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(SCC)nc2)CC1	ZINC000106034466	425970244	/nfs/dbraw/zinc/97/02/44/425970244.db2.gz	MWOCZUMULQFUDC-UHFFFAOYSA-N	0	3	319.474	2.964	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000106034919	425970583	/nfs/dbraw/zinc/97/05/83/425970583.db2.gz	QLAPDUVNUWGYNM-UHFFFAOYSA-N	0	3	321.352	2.504	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccccc2COC)CC1	ZINC000106036666	425970784	/nfs/dbraw/zinc/97/07/84/425970784.db2.gz	RCAMOULXTHNTAK-UHFFFAOYSA-N	0	3	302.418	2.603	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)C(C2CC2)C2CC2)CC1	ZINC000106275624	425971979	/nfs/dbraw/zinc/97/19/79/425971979.db2.gz	CCBSPALGDAQXEE-UHFFFAOYSA-N	0	3	305.466	2.857	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)cc2NC(C)C)CC1	ZINC000073920464	426033874	/nfs/dbraw/zinc/03/38/74/426033874.db2.gz	BQSJBCMYSKUSBH-UHFFFAOYSA-N	0	3	317.408	2.930	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1	ZINC000074130254	426041889	/nfs/dbraw/zinc/04/18/89/426041889.db2.gz	KJEHTKAISSSXND-QAPCUYQASA-N	0	3	323.481	2.530	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(C#N)ccc1F)N1CCCCCC1	ZINC000075177511	426065814	/nfs/dbraw/zinc/06/58/14/426065814.db2.gz	OEJWRHBMRRVZGR-CYBMUJFWSA-N	0	3	303.381	2.578	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000108648820	426018763	/nfs/dbraw/zinc/01/87/63/426018763.db2.gz	JTEFADQLRGKFIM-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000128747955	426131331	/nfs/dbraw/zinc/13/13/31/426131331.db2.gz	PFLNKVJRIWZKEZ-HKUYNNGSSA-N	0	3	313.445	2.748	20	30		DFEDHN
C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000127596874	426074951	/nfs/dbraw/zinc/07/49/51/426074951.db2.gz	TWYNMFKRHVGHSB-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
C[C@@H]1SCCN(CCC(=O)Nc2ccccc2C#N)[C@H]1C	ZINC000112643941	426085733	/nfs/dbraw/zinc/08/57/33/426085733.db2.gz	UPPAPHNCJWKBJO-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1	ZINC000075838780	426086538	/nfs/dbraw/zinc/08/65/38/426086538.db2.gz	IKENXUXKMKNEFU-WMLDXEAASA-N	0	3	301.434	2.580	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000135009374	426203443	/nfs/dbraw/zinc/20/34/43/426203443.db2.gz	XXGSOZKLPMFDFR-FCEWJHQRSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2nc3c(s2)CCCC3)CC1	ZINC000171680003	426204699	/nfs/dbraw/zinc/20/46/99/426204699.db2.gz	VDMVWOIIZJLDLK-UHFFFAOYSA-N	0	3	320.462	2.794	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)N(C)CCC#N)s1	ZINC000114733602	426145051	/nfs/dbraw/zinc/14/50/51/426145051.db2.gz	ZDZFVZLEUHHTFQ-KBPBESRZSA-N	0	3	305.447	2.954	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000077805398	426150495	/nfs/dbraw/zinc/15/04/95/426150495.db2.gz	FOBYVWFOTGDLTP-GJZGRUSLSA-N	0	3	314.433	2.793	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2ccc(C#N)nc2)N(C)C)cc1	ZINC000115321967	426161399	/nfs/dbraw/zinc/16/13/99/426161399.db2.gz	IBQSVXZKUKEJRE-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000131486862	426164574	/nfs/dbraw/zinc/16/45/74/426164574.db2.gz	WOPCGWAVPQHTTK-LSDHHAIUSA-N	0	3	302.418	2.510	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ncc(C)s2)CC1	ZINC000078324812	426165610	/nfs/dbraw/zinc/16/56/10/426165610.db2.gz	JSXCSYHSGXGIGG-ZDUSSCGKSA-N	0	3	322.478	2.852	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)[C@H](C)c1cccc(O)c1	ZINC000131769441	426167765	/nfs/dbraw/zinc/16/77/65/426167765.db2.gz	ZZNSXMBGNBFBMR-CQSZACIVSA-N	0	3	303.406	2.537	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000078434360	426169224	/nfs/dbraw/zinc/16/92/24/426169224.db2.gz	OSEWBXKSZOUYJX-GOSISDBHSA-N	0	3	322.412	2.660	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccc(C)cc2)CC1	ZINC000116430410	426189893	/nfs/dbraw/zinc/18/98/93/426189893.db2.gz	XDGUBUAQYRWJTP-UHFFFAOYSA-N	0	3	315.461	2.877	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2cccc(F)c2)CC1	ZINC000171715711	426206447	/nfs/dbraw/zinc/20/64/47/426206447.db2.gz	CABBDTLINGPMFG-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000079495702	426195069	/nfs/dbraw/zinc/19/50/69/426195069.db2.gz	CQKNXEKIZZLCPU-KRWDZBQOSA-N	0	3	316.449	2.676	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cc(F)ccc3o2)CC1	ZINC000172120215	426222465	/nfs/dbraw/zinc/22/24/65/426222465.db2.gz	UJCUPSLQKNYYRZ-UHFFFAOYSA-N	0	3	302.349	2.952	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1	ZINC000117793428	426223291	/nfs/dbraw/zinc/22/32/91/426223291.db2.gz	VVWJMYYCRYMVIT-KBXCAEBGSA-N	0	3	314.429	2.708	20	30		DFEDHN
COCCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000117876057	426225211	/nfs/dbraw/zinc/22/52/11/426225211.db2.gz	ISIFSFWOYROPHA-UHFFFAOYSA-N	0	3	324.428	2.655	20	30		DFEDHN
CC#CCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000136032889	426233701	/nfs/dbraw/zinc/23/37/01/426233701.db2.gz	QXYQRXXMXCQSAT-SFHVURJKSA-N	0	3	313.445	2.563	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000118393400	426234056	/nfs/dbraw/zinc/23/40/56/426234056.db2.gz	PPMNEHYQGKNEDG-KDOFPFPSSA-N	0	3	311.429	2.857	20	30		DFEDHN
C=CCNc1ncc(C(=O)NCC(C)(C)N2CCCCC2)s1	ZINC000136053334	426234285	/nfs/dbraw/zinc/23/42/85/426234285.db2.gz	XUNYMKRASOGMHC-UHFFFAOYSA-N	0	3	322.478	2.735	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000119140801	426265173	/nfs/dbraw/zinc/26/51/73/426265173.db2.gz	JQTMDUDUJNIHPD-GDBMZVCRSA-N	0	3	322.412	2.669	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cn2)CC1	ZINC000119258376	426273362	/nfs/dbraw/zinc/27/33/62/426273362.db2.gz	KOGPJMZTQRGMRQ-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](OCC)c2ccccc2)CC1	ZINC000171714894	426207037	/nfs/dbraw/zinc/20/70/37/426207037.db2.gz	VGFAIZLQSZPFGE-QGZVFWFLSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(N(C)C)cc2)CC1	ZINC000171738747	426207449	/nfs/dbraw/zinc/20/74/49/426207449.db2.gz	HZZFIELTXVRLTJ-UHFFFAOYSA-N	0	3	302.422	2.525	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccnc2OC(C)C)CC1	ZINC000171740266	426208863	/nfs/dbraw/zinc/20/88/63/426208863.db2.gz	AOMSNZOJWOEVBR-UHFFFAOYSA-N	0	3	318.421	2.641	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](Cn2cncn2)C1	ZINC000135211055	426208885	/nfs/dbraw/zinc/20/88/85/426208885.db2.gz	HEXOMSSWMHLKRY-MRXNPFEDSA-N	0	3	323.444	2.991	20	30		DFEDHN
N#CCSCCCN1CCN(C/C=C/c2ccccc2)CC1	ZINC000080626868	426216220	/nfs/dbraw/zinc/21/62/20/426216220.db2.gz	RRIXHKURIAKKOG-XBXARRHUSA-N	0	3	315.486	2.964	20	30		DFEDHN
CC(C)CN1CCC[C@@H]1CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000119543384	426295660	/nfs/dbraw/zinc/29/56/60/426295660.db2.gz	KJZVZQOZFPBTRH-CYBMUJFWSA-N	0	3	321.371	2.687	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1	ZINC000175592262	426316299	/nfs/dbraw/zinc/31/62/99/426316299.db2.gz	PADBGZPOQLVJES-INIZCTEOSA-N	0	3	313.401	2.729	20	30		DFEDHN
C[C@H](c1ccc(F)cc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942547	426320679	/nfs/dbraw/zinc/32/06/79/426320679.db2.gz	CBVJTFKRZMNSOJ-SNVBAGLBSA-N	0	3	319.359	2.767	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)CCc1ccccc1	ZINC000151966712	426321212	/nfs/dbraw/zinc/32/12/12/426321212.db2.gz	MRLUZWPXEUMJRZ-INIZCTEOSA-N	0	3	315.461	2.996	20	30		DFEDHN
C[C@H](c1cc(F)ccc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089943656	426321474	/nfs/dbraw/zinc/32/14/74/426321474.db2.gz	OEZSNVTTYMGUAV-SNVBAGLBSA-N	0	3	319.359	2.767	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C#N)c[nH]1	ZINC000175745790	426325023	/nfs/dbraw/zinc/32/50/23/426325023.db2.gz	UWZUJKLWXXIODO-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCCCO1)C(C)C	ZINC000152066048	426325617	/nfs/dbraw/zinc/32/56/17/426325617.db2.gz	UIGIFXVWXBRZHV-DLBZAZTESA-N	0	3	308.466	2.760	20	30		DFEDHN
COc1ccc(CNCCOc2ccc(Cl)cn2)cc1C#N	ZINC000152143068	426329081	/nfs/dbraw/zinc/32/90/81/426329081.db2.gz	ATVPSRWYSJCHNG-UHFFFAOYSA-N	0	3	317.776	2.784	20	30		DFEDHN
CC(C)(CNc1cnc(C#N)cn1)N1CCc2ccccc2C1	ZINC000121343593	426335368	/nfs/dbraw/zinc/33/53/68/426335368.db2.gz	RWIWLNTWNTUCNR-UHFFFAOYSA-N	0	3	307.401	2.597	20	30		DFEDHN
CC[C@@]1(C)C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000121359795	426336263	/nfs/dbraw/zinc/33/62/63/426336263.db2.gz	DXCQENKMNAHGRB-HKUYNNGSSA-N	0	3	313.445	2.885	20	30		DFEDHN
CN1CCN(CCOc2ccccc2C#N)C2(CCCCC2)C1	ZINC000175066971	426276917	/nfs/dbraw/zinc/27/69/17/426276917.db2.gz	NNOZBECAYRXWAT-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000153664416	426398238	/nfs/dbraw/zinc/39/82/38/426398238.db2.gz	GYBDEYWSQRJNDZ-QGZVFWFLSA-N	0	3	319.449	2.906	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](C(=O)NCCC)C2)cc1	ZINC000092733743	426351228	/nfs/dbraw/zinc/35/12/28/426351228.db2.gz	JSWOXYWTNXNJTH-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000093691341	426357813	/nfs/dbraw/zinc/35/78/13/426357813.db2.gz	SMFKXFWIYYXFGI-IBGZPJMESA-N	0	3	308.381	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCc2csc(C)n2)CC1	ZINC000176285345	426367364	/nfs/dbraw/zinc/36/73/64/426367364.db2.gz	AULUMPFUHQATBU-UHFFFAOYSA-N	0	3	307.463	2.541	20	30		DFEDHN
N#Cc1cnc(NCC2CCN(Cc3cccs3)CC2)cn1	ZINC000122965679	426406347	/nfs/dbraw/zinc/40/63/47/426406347.db2.gz	SEWCDYYCFCUTKD-UHFFFAOYSA-N	0	3	313.430	2.734	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(CSCC)ccn2)CC1	ZINC000153479086	426387141	/nfs/dbraw/zinc/38/71/41/426387141.db2.gz	WEKMNGJMEGRIBI-UHFFFAOYSA-N	0	3	317.458	2.618	20	30		DFEDHN
Cc1cccc(OCCNCc2cnc3ccc(C#N)cn23)c1	ZINC000123173002	426417557	/nfs/dbraw/zinc/41/75/57/426417557.db2.gz	YXJPLCGYRPETAY-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCCOc3ccccc3)n2c1	ZINC000123200520	426420701	/nfs/dbraw/zinc/42/07/01/426420701.db2.gz	YQGVEPWGESWPQV-UHFFFAOYSA-N	0	3	306.369	2.765	20	30		DFEDHN
CC[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N(C)C	ZINC000123353273	426428085	/nfs/dbraw/zinc/42/80/85/426428085.db2.gz	QJXLWCTVTCVYFH-AWEZNQCLSA-N	0	3	312.335	2.513	20	30		DFEDHN
N#Cc1ccc(CNCCCS(=O)(=O)c2ccccc2)s1	ZINC000176956800	426428809	/nfs/dbraw/zinc/42/88/09/426428809.db2.gz	MGHFWPVQTXHMLC-UHFFFAOYSA-N	0	3	320.439	2.573	20	30		DFEDHN
C#CCCCCNC(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000154550355	426444993	/nfs/dbraw/zinc/44/49/93/426444993.db2.gz	UDJGMLJVQQPRDW-UHFFFAOYSA-N	0	3	317.433	2.860	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCCC[C@@H]1C	ZINC000340965879	269029918	/nfs/dbraw/zinc/02/99/18/269029918.db2.gz	CFAUARMRVSWGGK-QWHCGFSZSA-N	0	3	303.381	2.690	20	30		DFEDHN
N#Cc1cnc(Nc2cccc(CN3CCSCC3)c2)cn1	ZINC000123706999	426449271	/nfs/dbraw/zinc/44/92/71/426449271.db2.gz	XREATZXQYIFNDC-UHFFFAOYSA-N	0	3	311.414	2.641	20	30		DFEDHN
C=CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000154861382	426458493	/nfs/dbraw/zinc/45/84/93/426458493.db2.gz	FEVGUXXXMISACW-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000123893050	426459296	/nfs/dbraw/zinc/45/92/96/426459296.db2.gz	POSZGSLCFDGQRG-LBPRGKRZSA-N	0	3	307.369	2.760	20	30		DFEDHN
COc1cc(N[C@@H]2CCCN(CCCC#N)C2)cc(OC)c1	ZINC000155184470	426465637	/nfs/dbraw/zinc/46/56/37/426465637.db2.gz	UTSWSRHCZJMLFU-CQSZACIVSA-N	0	3	303.406	2.884	20	30		DFEDHN
CC[C@H](CSC)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280256989	426531066	/nfs/dbraw/zinc/53/10/66/426531066.db2.gz	XKOULEDDIVOXDA-JKSUJKDBSA-N	0	3	315.442	2.841	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280283578	426540249	/nfs/dbraw/zinc/54/02/49/426540249.db2.gz	ZAZCVBMESLYDLW-SWLSCSKDSA-N	0	3	324.409	2.883	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(OC)cc2)CC1	ZINC000264432023	426552249	/nfs/dbraw/zinc/55/22/49/426552249.db2.gz	ATIOAFHDCHSSSK-AWEZNQCLSA-N	0	3	302.418	2.565	20	30		DFEDHN
CCCCNC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1	ZINC000186159808	426489702	/nfs/dbraw/zinc/48/97/02/426489702.db2.gz	MSGKUHLYZYYUBI-UHFFFAOYSA-N	0	3	313.445	2.995	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CNCCNC(=O)OC(C)(C)C)cc1	ZINC000177574411	426496527	/nfs/dbraw/zinc/49/65/27/426496527.db2.gz	XWWGDHFROHPJFK-ZDUSSCGKSA-N	0	3	319.405	2.592	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@@H]2CCN(C)[C@H](C)C2)c1C	ZINC000177654515	426501234	/nfs/dbraw/zinc/50/12/34/426501234.db2.gz	CKCURYAEVMJXDV-RHSMWYFYSA-N	0	3	317.477	2.888	20	30		DFEDHN
CN(C)CCOc1cccc(CNCc2cc(C#N)cs2)c1	ZINC000177686636	426505448	/nfs/dbraw/zinc/50/54/48/426505448.db2.gz	UHWTXXSDXCMLAC-UHFFFAOYSA-N	0	3	315.442	2.850	20	30		DFEDHN
COC(C)(C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280528521	426593226	/nfs/dbraw/zinc/59/32/26/426593226.db2.gz	SFYPYLRQAAXXPE-CZUORRHYSA-N	0	3	313.401	2.560	20	30		DFEDHN
COC(=O)C1(CNCc2ccc(C#N)cc2F)CCCCC1	ZINC000273158676	426605105	/nfs/dbraw/zinc/60/51/05/426605105.db2.gz	JWNDFIQJKPWNCT-UHFFFAOYSA-N	0	3	304.365	2.910	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2OC)CC1	ZINC000264446544	426555878	/nfs/dbraw/zinc/55/58/78/426555878.db2.gz	XSMFXFVNURDLQW-CQSZACIVSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2ccc(C)cc2C)CC1	ZINC000264490401	426563856	/nfs/dbraw/zinc/56/38/56/426563856.db2.gz	NRTNOBUWZHCJAG-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCOC(C)(C)C1	ZINC000289360844	426635720	/nfs/dbraw/zinc/63/57/20/426635720.db2.gz	AFEWEVHUGFNKPJ-MRXNPFEDSA-N	0	3	315.417	2.776	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(NC[C@]2(N(C)C)CCSC2)c1	ZINC000273334041	426646855	/nfs/dbraw/zinc/64/68/55/426646855.db2.gz	RNDNUICLHAFZGL-MRXNPFEDSA-N	0	3	303.431	2.610	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@]2(N(C)C)CCSC2)c1C#N	ZINC000273396079	426656715	/nfs/dbraw/zinc/65/67/15/426656715.db2.gz	VRLOQPLXZHEDJF-CQSZACIVSA-N	0	3	310.854	2.764	20	30		DFEDHN
Cc1ccnc(N2CCCN(Cc3ccccc3)CC2)c1C#N	ZINC000273407290	426657528	/nfs/dbraw/zinc/65/75/28/426657528.db2.gz	XAXSMOKKQVSACO-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2	ZINC000273427759	426662398	/nfs/dbraw/zinc/66/23/98/426662398.db2.gz	KLQXSYOPBAWPQT-ZDUSSCGKSA-N	0	3	323.458	2.522	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)c2cccc(F)c2C#N)cc1	ZINC000187484849	426666026	/nfs/dbraw/zinc/66/60/26/426666026.db2.gz	ATQFAAKTEJUYEY-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
CCOC(=O)COCCN(CC)[C@@H](C)c1ccc(C#N)cc1	ZINC000347735182	269663145	/nfs/dbraw/zinc/66/31/45/269663145.db2.gz	MUGTWAAKKOSYEK-AWEZNQCLSA-N	0	3	304.390	2.521	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@@]12CCCO2	ZINC000273767225	426713321	/nfs/dbraw/zinc/71/33/21/426713321.db2.gz	YZWVWDMPVJKSAR-RNJTYBCJSA-N	0	3	300.402	2.935	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3c(F)c(OC)ccc23)CC1	ZINC000281426749	426719700	/nfs/dbraw/zinc/71/97/00/426719700.db2.gz	SDXQXSLVMQRLEN-UHFFFAOYSA-N	0	3	316.380	2.840	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000188068751	426720331	/nfs/dbraw/zinc/72/03/31/426720331.db2.gz	GLQUUNYKCUFGHI-CABCVRRESA-N	0	3	315.417	2.645	20	30		DFEDHN
C=CCN1CC[C@@H](SCCN(C)Cc2ccccc2)C1=O	ZINC000281050111	426700477	/nfs/dbraw/zinc/70/04/77/426700477.db2.gz	SGDPCUCXWSDSNE-MRXNPFEDSA-N	0	3	304.459	2.639	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(O)c1	ZINC000274431083	426767591	/nfs/dbraw/zinc/76/75/91/426767591.db2.gz	VRJCVNMGBWRMEP-OAHLLOKOSA-N	0	3	304.434	2.885	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1	ZINC000245738260	426768502	/nfs/dbraw/zinc/76/85/02/426768502.db2.gz	LGFVEAHVCFSHID-HFTRVMKXSA-N	0	3	300.402	2.978	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H]1CCSC1	ZINC000245809736	426773480	/nfs/dbraw/zinc/77/34/80/426773480.db2.gz	CEWDDSLVPGXPBL-HOTGVXAUSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000188692258	426779787	/nfs/dbraw/zinc/77/97/87/426779787.db2.gz	RHCMGTNSYVPSKZ-LPHOPBHVSA-N	0	3	318.461	2.852	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)ccc1C#N	ZINC000281651921	426737483	/nfs/dbraw/zinc/73/74/83/426737483.db2.gz	JYDSLRATVRQRGX-KPZWWZAWSA-N	0	3	314.360	2.918	20	30		DFEDHN
C=C[C@@H](CC(=O)NC[C@@H]1CCCN1CCOC)c1ccccc1	ZINC000245609168	426758181	/nfs/dbraw/zinc/75/81/81/426758181.db2.gz	BAYSPBYFFMDGMK-WMZOPIPTSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2sc(C)nc2C)CC1	ZINC000266679268	426759621	/nfs/dbraw/zinc/75/96/21/426759621.db2.gz	CJQMXYWEJXVWPY-UHFFFAOYSA-N	0	3	322.478	2.600	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NCCN(C)CC)c1ccc(F)c(F)c1	ZINC000188530866	426762515	/nfs/dbraw/zinc/76/25/15/426762515.db2.gz	VECAROHVGWUGND-HNNXBMFYSA-N	0	3	311.376	2.833	20	30		DFEDHN
C[C@H](CCN1CCN(C)CC1)Nc1ccc(C#N)c(Cl)c1	ZINC000274426486	426765900	/nfs/dbraw/zinc/76/59/00/426765900.db2.gz	DFHOAQQFFPJXKB-CYBMUJFWSA-N	0	3	306.841	2.650	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)c1cccc(F)c1C#N	ZINC000188890408	426798589	/nfs/dbraw/zinc/79/85/89/426798589.db2.gz	CDGVMUABCWQMCL-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
N#Cc1ccccc1N1CCC[N@@H+](Cc2ccccc2[O-])CC1	ZINC000179570557	426801445	/nfs/dbraw/zinc/80/14/45/426801445.db2.gz	KJYRBVUOVRLIGS-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
N#Cc1ccccc1N1CCC[N@H+](Cc2ccccc2[O-])CC1	ZINC000179570557	426801449	/nfs/dbraw/zinc/80/14/49/426801449.db2.gz	KJYRBVUOVRLIGS-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000274626591	426805051	/nfs/dbraw/zinc/80/50/51/426805051.db2.gz	NXJMJXOIOVVKJI-FZMZJTMJSA-N	0	3	305.353	2.579	20	30		DFEDHN
C=CCOc1ccc(CNC[C@]2(O)CCSC2)cc1Cl	ZINC000266993372	426807988	/nfs/dbraw/zinc/80/79/88/426807988.db2.gz	AZMZBMIFZNDANM-OAHLLOKOSA-N	0	3	313.850	2.862	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)C[C@H]2CCCN2CC)c1	ZINC000267032099	426813315	/nfs/dbraw/zinc/81/33/15/426813315.db2.gz	IJAOXCKQUGRHHK-MRXNPFEDSA-N	0	3	315.417	2.647	20	30		DFEDHN
C=C(C)CCN(C)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000274772698	426832826	/nfs/dbraw/zinc/83/28/26/426832826.db2.gz	NBKLJGXACVPRPM-UHFFFAOYSA-N	0	3	311.447	2.757	20	30		DFEDHN
C=C(Cl)CNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000274778245	426835815	/nfs/dbraw/zinc/83/58/15/426835815.db2.gz	FCLSAEYYBSDBLE-UHFFFAOYSA-N	0	3	322.840	2.703	20	30		DFEDHN
C=C(C)CCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000274816060	426842206	/nfs/dbraw/zinc/84/22/06/426842206.db2.gz	WOTISKZKPGZRJH-CQSZACIVSA-N	0	3	300.324	2.962	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000246027220	426790408	/nfs/dbraw/zinc/79/04/08/426790408.db2.gz	OXCZPLLLXXPYOU-CABCVRRESA-N	0	3	312.454	2.693	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000268117789	426916280	/nfs/dbraw/zinc/91/62/80/426916280.db2.gz	FFUNQCYOPHNBQH-YJBOKZPZSA-N	0	3	313.445	2.867	20	30		DFEDHN
C[C@@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1	ZINC000247022675	426891793	/nfs/dbraw/zinc/89/17/93/426891793.db2.gz	HLZHQCIKMOYHNJ-HOTGVXAUSA-N	0	3	321.428	2.662	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)/C=C/c1ccc(C#N)cc1	ZINC000268031140	426894666	/nfs/dbraw/zinc/89/46/66/426894666.db2.gz	XSYMAFKBVHNDFZ-MDZDMXLPSA-N	0	3	323.396	2.755	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](OCCC)CC1	ZINC000247073507	426901792	/nfs/dbraw/zinc/90/17/92/426901792.db2.gz	HTKLBWWMTRLKPA-IAGOWNOFSA-N	0	3	308.466	2.857	20	30		DFEDHN
N#Cc1cccc(OCCN2CCc3ccccc3[C@H]2CO)c1	ZINC000268091780	426910310	/nfs/dbraw/zinc/91/03/10/426910310.db2.gz	JBIIQGUOMXOVSH-LJQANCHMSA-N	0	3	308.381	2.529	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)c(OC)c1	ZINC000282441437	426912857	/nfs/dbraw/zinc/91/28/57/426912857.db2.gz	UNUQHAWHXHRHGE-MAUKXSAKSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@H](NCc1cccnc1-n1cccn1)c1ccc(C#N)cc1	ZINC000181473802	426950389	/nfs/dbraw/zinc/95/03/89/426950389.db2.gz	IVBQKCXWTMQAJT-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1	ZINC000247573768	426952926	/nfs/dbraw/zinc/95/29/26/426952926.db2.gz	XDCKNHCAZZERFJ-UPRAQXHNSA-N	0	3	308.381	2.725	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)s1	ZINC000247638423	426955419	/nfs/dbraw/zinc/95/54/19/426955419.db2.gz	VJVQJFISYASWOM-STQMWFEESA-N	0	3	322.478	2.591	20	30		DFEDHN
CN(CCNC(=O)c1cn(C)nc1C1CCCCC1)C1CC1	ZINC000328750036	426994083	/nfs/dbraw/zinc/99/40/83/426994083.db2.gz	MOUAJWHXZJITKF-UHFFFAOYSA-N	0	3	304.438	2.867	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(OC)cc1Br	ZINC000320307279	426965987	/nfs/dbraw/zinc/96/59/87/426965987.db2.gz	UPOZQGPSVKTZKQ-LBPRGKRZSA-N	0	3	314.223	2.874	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H]1OCCc2sccc21	ZINC000291731835	426968494	/nfs/dbraw/zinc/96/84/94/426968494.db2.gz	NXTVLTKVHCBDEW-BZNIZROVSA-N	0	3	301.415	2.750	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1	ZINC000248048826	426974776	/nfs/dbraw/zinc/97/47/76/426974776.db2.gz	XCCVJDGXZOIQJA-UHFFFAOYSA-N	0	3	307.397	2.762	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000248034315	426975470	/nfs/dbraw/zinc/97/54/70/426975470.db2.gz	KVGXLXCVJNNEQZ-RTBURBONSA-N	0	3	319.408	2.928	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C[C@@H](O)c2ccc(C#N)cc2)C12CCC2	ZINC000248194312	426986592	/nfs/dbraw/zinc/98/65/92/426986592.db2.gz	JWOKSUJLYVXFAO-KZNAEPCWSA-N	0	3	314.429	2.871	20	30		DFEDHN
C[C@@H](Cn1cccn1)NCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000328690056	426987496	/nfs/dbraw/zinc/98/74/96/426987496.db2.gz	BPOWKNBLUBJFOD-IILDEKEXSA-N	0	3	316.449	2.787	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000276123271	426989692	/nfs/dbraw/zinc/98/96/92/426989692.db2.gz	HDSURABEYZMTDT-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C1CC1	ZINC000291806716	426992345	/nfs/dbraw/zinc/99/23/45/426992345.db2.gz	BEORRIOBLIRONG-IRXDYDNUSA-N	0	3	307.397	2.888	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C1CC1	ZINC000291806719	426992623	/nfs/dbraw/zinc/99/26/23/426992623.db2.gz	BEORRIOBLIRONG-SJORKVTESA-N	0	3	307.397	2.888	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@](CO)(c2ccccc2)C1	ZINC000291626494	426932731	/nfs/dbraw/zinc/93/27/31/426932731.db2.gz	CZUXJDICKSJAKR-FQEVSTJZSA-N	0	3	322.408	2.703	20	30		DFEDHN
C=C(C)COc1cc(CN(CCO)C2CCC2)ccc1OC	ZINC000275874131	426936268	/nfs/dbraw/zinc/93/62/68/426936268.db2.gz	AMESQNFCHFJDRA-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248439851	427000996	/nfs/dbraw/zinc/00/09/96/427000996.db2.gz	UJZVNKGHPSQCFI-CHWSQXEVSA-N	0	3	317.355	2.866	20	30		DFEDHN
Cc1cc(C)cc([C@@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000248442553	427001725	/nfs/dbraw/zinc/00/17/25/427001725.db2.gz	FBSFXIFREUIPKX-IAGOWNOFSA-N	0	3	313.445	2.853	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	ZINC000328911591	427011446	/nfs/dbraw/zinc/01/14/46/427011446.db2.gz	GMKIRCABQBSBIF-VDERGJSUSA-N	0	3	323.481	2.566	20	30		DFEDHN
Cc1nc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1C#N	ZINC000182086420	427013720	/nfs/dbraw/zinc/01/37/20/427013720.db2.gz	QVOWADGPGCBOJR-CQSZACIVSA-N	0	3	322.412	2.512	20	30		DFEDHN
C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000328944917	427016297	/nfs/dbraw/zinc/01/62/97/427016297.db2.gz	GDUDJTOZNIREFC-VUNQQRPYSA-N	0	3	324.465	2.526	20	30		DFEDHN
C=C(C)CN1CCC(NCc2cc(C(=O)OC)c(C)o2)CC1	ZINC000182188067	427021231	/nfs/dbraw/zinc/02/12/31/427021231.db2.gz	YIULSJDSMFDOIM-UHFFFAOYSA-N	0	3	306.406	2.505	20	30		DFEDHN
Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1=CCN(C)CC1	ZINC000329223195	427067625	/nfs/dbraw/zinc/06/76/25/427067625.db2.gz	XPTZLEDGQJUTTC-UHFFFAOYSA-N	0	3	318.465	2.917	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000248972745	427071501	/nfs/dbraw/zinc/07/15/01/427071501.db2.gz	DLHHOLXXCBWBMZ-UXLLHSPISA-N	0	3	322.836	2.529	20	30		DFEDHN
CN1CCC(NC(=O)Nc2csc(-c3ccccn3)n2)CC1	ZINC000329246980	427072067	/nfs/dbraw/zinc/07/20/67/427072067.db2.gz	AYKSLVLFQKVEDQ-UHFFFAOYSA-N	0	3	317.418	2.625	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CCCc3c(O)cccc32)CC1	ZINC000190313944	427073593	/nfs/dbraw/zinc/07/35/93/427073593.db2.gz	HANYTPGDDWJRHG-QGZVFWFLSA-N	0	3	314.429	2.579	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000268643581	427076349	/nfs/dbraw/zinc/07/63/49/427076349.db2.gz	NMXLUYOJDXUNEO-CVEARBPZSA-N	0	3	303.402	2.922	20	30		DFEDHN
C[C@H]1CC[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1	ZINC000276505797	427087642	/nfs/dbraw/zinc/08/76/42/427087642.db2.gz	TYPKCZFENBNIBT-KBXCAEBGSA-N	0	3	300.402	2.969	20	30		DFEDHN
COc1ccc([C@H](OC)[C@H](C)NCc2cc(C#N)n(C)c2)cc1	ZINC000276578536	427104235	/nfs/dbraw/zinc/10/42/35/427104235.db2.gz	AWISCIDJDSXIMM-SCLBCKFNSA-N	0	3	313.401	2.771	20	30		DFEDHN
COc1cccc(NC(=O)CCN2CCOCC3(CC3)C2)c1	ZINC000329447789	427119861	/nfs/dbraw/zinc/11/98/61/427119861.db2.gz	LJMHSMOMSUUKEE-UHFFFAOYSA-N	0	3	304.390	2.786	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSC[C@@H](C)C1	ZINC000190479459	427121703	/nfs/dbraw/zinc/12/17/03/427121703.db2.gz	GJQCWJGWWNJYLE-ZDUSSCGKSA-N	0	3	306.431	2.631	20	30		DFEDHN
CC(C)O[C@@H]1C[C@@H](NCC(=O)Nc2sccc2C#N)C1(C)C	ZINC000296063895	427064061	/nfs/dbraw/zinc/06/40/61/427064061.db2.gz	GGMUKVOTSKNCNC-CHWSQXEVSA-N	0	3	321.446	2.740	20	30		DFEDHN
COCc1nc(C)c(C(=O)N[C@@H](C)C2=CCN(C)CC2)s1	ZINC000329515506	427132176	/nfs/dbraw/zinc/13/21/76/427132176.db2.gz	OOJJOVNIGVNVGS-JTQLQIEISA-N	0	3	309.435	2.553	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)nnc2CC)CC1	ZINC000329522740	427133333	/nfs/dbraw/zinc/13/33/33/427133333.db2.gz	PNDDJGGFCCVLMZ-UHFFFAOYSA-N	0	3	302.422	2.693	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1csc(NC2CC2)n1	ZINC000329521910	427134257	/nfs/dbraw/zinc/13/42/57/427134257.db2.gz	PDBFUXMAHBXCHF-VXGBXAGGSA-N	0	3	322.478	3.142	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000268998091	427144331	/nfs/dbraw/zinc/14/43/31/427144331.db2.gz	OHUARHADKOKBAL-FUHWJXTLSA-N	0	3	300.402	2.716	20	30		DFEDHN
CC(C(=O)NCC1CCCCC1)S(=O)(=O)[C@H]1CCCOC1	ZINC000329583202	427144861	/nfs/dbraw/zinc/14/48/61/427144861.db2.gz	XMTCAKFVCBWFDF-OCCSQVGLSA-N	0	3	317.451	2.506	20	30		DFEDHN
C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[C@H]1O	ZINC000250064163	427152156	/nfs/dbraw/zinc/15/21/56/427152156.db2.gz	NIICSVDNHMAQEG-MAUKXSAKSA-N	0	3	324.428	2.666	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)C(C)C	ZINC000249951019	427154034	/nfs/dbraw/zinc/15/40/34/427154034.db2.gz	HNSVWHOZFTXGKH-YESZJQIVSA-N	0	3	308.466	2.616	20	30		DFEDHN
CC(C)=CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000190666424	427157161	/nfs/dbraw/zinc/15/71/61/427157161.db2.gz	YERSPXLFAPIPOO-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
CC(C)(CO)NCc1cccc(OCc2ccccc2C#N)c1	ZINC000304224355	271368281	/nfs/dbraw/zinc/36/82/81/271368281.db2.gz	KIZBSAUYJPBWLM-UHFFFAOYSA-N	0	3	310.397	2.998	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2	ZINC000296422834	427174245	/nfs/dbraw/zinc/17/42/45/427174245.db2.gz	LSZRERDGLFQOML-SFHVURJKSA-N	0	3	312.417	2.816	20	30		DFEDHN
CCCC(=O)Nc1ccc(CNCc2cc(C#N)n(C)c2)cc1	ZINC000190775253	427178967	/nfs/dbraw/zinc/17/89/67/427178967.db2.gz	FCFRAJKRPIIAQO-UHFFFAOYSA-N	0	3	310.401	2.925	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000277375941	427184288	/nfs/dbraw/zinc/18/42/88/427184288.db2.gz	JIUYQZOYDVNVRN-IBGZPJMESA-N	0	3	310.441	2.849	20	30		DFEDHN
CCN(CC)[C@H](CNCc1cc(C#N)n(C)c1)c1ccco1	ZINC000190902359	427198268	/nfs/dbraw/zinc/19/82/68/427198268.db2.gz	HVIVWGOVOGTEMP-MRXNPFEDSA-N	0	3	300.406	2.662	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000285412539	427224663	/nfs/dbraw/zinc/22/46/63/427224663.db2.gz	JARTYIWTBHJINM-AWEZNQCLSA-N	0	3	317.820	2.912	20	30		DFEDHN
CCOC1CC2(C1)CCN(CCOc1cccc(C#N)c1)C2	ZINC000285416367	427227589	/nfs/dbraw/zinc/22/75/89/427227589.db2.gz	GDXHUYXLFGQGRK-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
C=CCNC(=O)CNC1CC(c2cccc(Br)c2)C1	ZINC000277516197	427227946	/nfs/dbraw/zinc/22/79/46/427227946.db2.gz	KSXUEUILQKAKIV-UHFFFAOYSA-N	0	3	323.234	2.587	20	30		DFEDHN
COCCCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1	ZINC000285482292	427247857	/nfs/dbraw/zinc/24/78/57/427247857.db2.gz	IFHVYFLEMSPTBZ-UHFFFAOYSA-N	0	3	313.401	2.602	20	30		DFEDHN
Cn1cc(CN[C@H]2CCCN(c3cccc(F)c3)C2)cc1C#N	ZINC000191094847	427253018	/nfs/dbraw/zinc/25/30/18/427253018.db2.gz	WLCZALNRVAMBKC-INIZCTEOSA-N	0	3	312.392	2.794	20	30		DFEDHN
COc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1C#N	ZINC000269701480	427254848	/nfs/dbraw/zinc/25/48/48/427254848.db2.gz	MFGYPEKFAHEPSQ-AEFFLSMTSA-N	0	3	300.402	2.694	20	30		DFEDHN
C=CCN(CCOC)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000191089669	427254857	/nfs/dbraw/zinc/25/48/57/427254857.db2.gz	HSNDGTFHKFTGCJ-UHFFFAOYSA-N	0	3	321.808	2.675	20	30		DFEDHN
CC(C)c1[nH]ccc1C(=O)NC(C)(C)CCN1CCN(C)CC1	ZINC000330594723	427268726	/nfs/dbraw/zinc/26/87/26/427268726.db2.gz	BCGNKSUZTMZQSR-UHFFFAOYSA-N	0	3	320.481	2.859	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H](C)n2nc(C)cc2C)CC1	ZINC000330646130	427281545	/nfs/dbraw/zinc/28/15/45/427281545.db2.gz	GTQBIPRJFCUBAK-MRXNPFEDSA-N	0	3	318.465	2.608	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(-n2cccn2)c1	ZINC000191256209	427300996	/nfs/dbraw/zinc/30/09/96/427300996.db2.gz	NGMVGSJEIOXBIK-AWEZNQCLSA-N	0	3	305.385	2.933	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)NCc2ccccc2Cl)CC1	ZINC000330779475	427303150	/nfs/dbraw/zinc/30/31/50/427303150.db2.gz	MNFKAJHILKLBCA-UHFFFAOYSA-N	0	3	319.836	2.972	20	30		DFEDHN
CCc1nc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)sc1C	ZINC000330790440	427304391	/nfs/dbraw/zinc/30/43/91/427304391.db2.gz	SPKNQZWRHUKZPI-JTQLQIEISA-N	0	3	308.451	2.990	20	30		DFEDHN
CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(F)c1	ZINC000191299893	427313856	/nfs/dbraw/zinc/31/38/56/427313856.db2.gz	AUWVHLDQMUQZEE-INIZCTEOSA-N	0	3	301.365	2.983	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1	ZINC000330925038	427318772	/nfs/dbraw/zinc/31/87/72/427318772.db2.gz	GKDBITDFQICGSA-MLGOLLRUSA-N	0	3	303.406	2.678	20	30		DFEDHN
CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000330980263	427323498	/nfs/dbraw/zinc/32/34/98/427323498.db2.gz	MPBPFXUFUNPMCM-LJIGWXMPSA-N	0	3	319.449	2.749	20	30		DFEDHN
C=C[C@H](CC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1	ZINC000270358940	427332072	/nfs/dbraw/zinc/33/20/72/427332072.db2.gz	JPRZPXQMGPMFCR-QAPCUYQASA-N	0	3	318.486	2.900	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1	ZINC000270364933	427334365	/nfs/dbraw/zinc/33/43/65/427334365.db2.gz	SEYFRGMDDAGENJ-NJAFHUGGSA-N	0	3	313.445	2.875	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OC	ZINC000191389809	427339068	/nfs/dbraw/zinc/33/90/68/427339068.db2.gz	ROGBEMLQXHBIJF-CVEARBPZSA-N	0	3	315.417	2.680	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccc(C#N)o1	ZINC000277878607	427348212	/nfs/dbraw/zinc/34/82/12/427348212.db2.gz	NXRDKFJCIDMSOV-IUODEOHRSA-N	0	3	319.405	2.886	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](NCc3cc(C#N)n(C)c3)C2)cc1	ZINC000191219210	427290194	/nfs/dbraw/zinc/29/01/94/427290194.db2.gz	TZQRJYQMYVSYJV-KRWDZBQOSA-N	0	3	308.429	2.964	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1F	ZINC000330673166	427290760	/nfs/dbraw/zinc/29/07/60/427290760.db2.gz	OYQKHZBPMADMLW-WMLDXEAASA-N	0	3	304.365	2.909	20	30		DFEDHN
CCC[C@@]1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1	ZINC000285628757	427291466	/nfs/dbraw/zinc/29/14/66/427291466.db2.gz	RBUYZVTUHHQGEA-MRXNPFEDSA-N	0	3	321.808	2.699	20	30		DFEDHN
COCC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C	ZINC000338384687	427292574	/nfs/dbraw/zinc/29/25/74/427292574.db2.gz	SZRYWCKQZXRFPD-OAHLLOKOSA-N	0	3	303.406	2.538	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000338383236	427293284	/nfs/dbraw/zinc/29/32/84/427293284.db2.gz	PHALGWYNVJLEKX-KRWDZBQOSA-N	0	3	323.396	2.793	20	30		DFEDHN
C=CCN(CCc1nnnn1-c1ccccc1)Cc1ccccc1	ZINC000338388033	427295200	/nfs/dbraw/zinc/29/52/00/427295200.db2.gz	QDDRBVOLUZSXIV-UHFFFAOYSA-N	0	3	319.412	2.893	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN3CC[C@@H](O)C3)c2)c1	ZINC000271023251	427375384	/nfs/dbraw/zinc/37/53/84/427375384.db2.gz	CHXQOXPCXHMIPX-GOSISDBHSA-N	0	3	308.381	2.704	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000331223421	427376075	/nfs/dbraw/zinc/37/60/75/427376075.db2.gz	CKKCYLCQKUCSQN-OAGGEKHMSA-N	0	3	323.481	2.592	20	30		DFEDHN
Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)c(Cl)c1	ZINC000331296048	427391751	/nfs/dbraw/zinc/39/17/51/427391751.db2.gz	CPRFIRLPLYLJIR-CYBMUJFWSA-N	0	3	310.825	2.800	20	30		DFEDHN
C=CCC[C@H](O)CN(Cc1ccc(-n2cncn2)cc1)C1CC1	ZINC000338591633	427400682	/nfs/dbraw/zinc/40/06/82/427400682.db2.gz	IXSANGWLXYLNNX-SFHVURJKSA-N	0	3	312.417	2.559	20	30		DFEDHN
CO[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)(C)C	ZINC000331343720	427402502	/nfs/dbraw/zinc/40/25/02/427402502.db2.gz	ZHWVTOMYOQJCLB-UONOGXRCSA-N	0	3	313.486	2.672	20	30		DFEDHN
COc1cccc(F)c1NC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000331140887	427354844	/nfs/dbraw/zinc/35/48/44/427354844.db2.gz	UCLGOWYRILYONP-LLVKDONJSA-N	0	3	307.369	2.811	20	30		DFEDHN
C=CCOCCCN1CCN(c2cncc3ccccc32)CC1	ZINC000338540164	427367381	/nfs/dbraw/zinc/36/73/81/427367381.db2.gz	NAQOHUWOVWCGRR-UHFFFAOYSA-N	0	3	311.429	2.950	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000297838477	427466423	/nfs/dbraw/zinc/46/64/23/427466423.db2.gz	ONMAAJPMFQKDOG-AWEZNQCLSA-N	0	3	305.447	2.550	20	30		DFEDHN
C=CCN(CCOC)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000191763008	427422723	/nfs/dbraw/zinc/42/27/23/427422723.db2.gz	UUJHPEWEYCFPMA-OAHLLOKOSA-N	0	3	312.454	2.768	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN(C2CCC2)C1	ZINC000293744205	427424433	/nfs/dbraw/zinc/42/44/33/427424433.db2.gz	RRHDQWGRYLBMOR-ZDUSSCGKSA-N	0	3	315.392	2.644	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000184268306	427425337	/nfs/dbraw/zinc/42/53/37/427425337.db2.gz	BTVLTXDYEHIHDI-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
CN(C)CCOc1cnccc1CNc1cccc(F)c1C#N	ZINC000341031300	271770504	/nfs/dbraw/zinc/77/05/04/271770504.db2.gz	FYPAEIONAPJVHF-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000293788271	427436842	/nfs/dbraw/zinc/43/68/42/427436842.db2.gz	WPLVMUNEKLOMKH-ROJDOSBLSA-N	0	3	323.440	2.904	20	30		DFEDHN
C#Cc1ccc(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1	ZINC000297760149	427446472	/nfs/dbraw/zinc/44/64/72/427446472.db2.gz	VQLIIINFSGSPIH-OAHLLOKOSA-N	0	3	313.445	2.540	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCc2ccc(NC(C)=O)nc2)cc1	ZINC000279020661	427532869	/nfs/dbraw/zinc/53/28/69/427532869.db2.gz	HPIVKCUFSBPFDJ-CQSZACIVSA-N	0	3	323.396	2.903	20	30		DFEDHN
CN(CCN(C)C1CC1)c1c(C#N)cnc2c(F)cc(F)cc21	ZINC000184783518	427537971	/nfs/dbraw/zinc/53/79/71/427537971.db2.gz	XAVLGCGXXXWWLU-UHFFFAOYSA-N	0	3	316.355	2.915	20	30		DFEDHN
COc1ccc(OC)c([C@H]2CCCN2CCOCCC#N)c1	ZINC000338915593	427556007	/nfs/dbraw/zinc/55/60/07/427556007.db2.gz	GSFIDCBATFGMFY-MRXNPFEDSA-N	0	3	304.390	2.771	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(F)c(C#N)c1	ZINC000272050759	427613116	/nfs/dbraw/zinc/61/31/16/427613116.db2.gz	QJRIUFCEYUQAHJ-RHSMWYFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CN1C1CC1	ZINC000287470388	427618215	/nfs/dbraw/zinc/61/82/15/427618215.db2.gz	MIOGMNIFWZXZIL-ZYHUDNBSSA-N	0	3	303.793	2.567	20	30		DFEDHN
CCc1nn(C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000272062962	427619055	/nfs/dbraw/zinc/61/90/55/427619055.db2.gz	UFXYMEIWPKBLLW-UHFFFAOYSA-N	0	3	323.444	2.931	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)NCc2ccc(C)cc2)CC1	ZINC000339009284	427621000	/nfs/dbraw/zinc/62/10/00/427621000.db2.gz	GBHMWNAVXDSQOD-UHFFFAOYSA-N	0	3	316.445	2.526	20	30		DFEDHN
C=CCCC(=O)NCCCCN1CCN(c2ccccc2)CC1	ZINC000263816789	427580063	/nfs/dbraw/zinc/58/00/63/427580063.db2.gz	OTIIMDRNODGONS-UHFFFAOYSA-N	0	3	315.461	2.671	20	30		DFEDHN
C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N(C)C	ZINC000298351343	427580606	/nfs/dbraw/zinc/58/06/06/427580606.db2.gz	NALMNLMXYGSLQB-CQSZACIVSA-N	0	3	307.397	2.905	20	30		DFEDHN
COCCCN1CCC(Nc2snc(Cl)c2C#N)CC1	ZINC000263824656	427584239	/nfs/dbraw/zinc/58/42/39/427584239.db2.gz	ZGJVSGSCSPIXHF-UHFFFAOYSA-N	0	3	314.842	2.581	20	30		DFEDHN
CCc1nc(CCNCc2cccc(OCCCC#N)c2)no1	ZINC000338952514	427584386	/nfs/dbraw/zinc/58/43/86/427584386.db2.gz	OLNGEYVBMCSFNO-UHFFFAOYSA-N	0	3	314.389	2.647	20	30		DFEDHN
CN1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000272041589	427611221	/nfs/dbraw/zinc/61/12/21/427611221.db2.gz	OVECTJZMLKSWHT-VQTJNVASSA-N	0	3	321.424	2.580	20	30		DFEDHN
COc1cccc(N2CC[C@H](NCc3ccc(C#N)cc3)C2)c1	ZINC000264021015	427635314	/nfs/dbraw/zinc/63/53/14/427635314.db2.gz	WOUQZCCPGKTPDJ-KRWDZBQOSA-N	0	3	307.397	2.935	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccccc1C#N	ZINC000272151744	427651698	/nfs/dbraw/zinc/65/16/98/427651698.db2.gz	GGFKAWQMAHDWGG-HVHJFMEUSA-N	0	3	311.429	2.760	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(O)(Cc3cccc(F)c3)CC2)C1	ZINC000339096129	427674073	/nfs/dbraw/zinc/67/40/73/427674073.db2.gz	IRXOBGJAOXQBNJ-RDJZCZTQSA-N	0	3	302.393	2.887	20	30		DFEDHN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@H]1CC[C@H](C#N)C1	ZINC000339111580	427679203	/nfs/dbraw/zinc/67/92/03/427679203.db2.gz	UOBFHCFJUNARGJ-AJNGGQMLSA-N	0	3	322.453	2.680	20	30		DFEDHN
COC1CCN(C(C)(C)CNCc2ccc(C#N)cc2F)CC1	ZINC000344537653	272335717	/nfs/dbraw/zinc/33/57/17/272335717.db2.gz	WOCIBELEMPPXHX-UHFFFAOYSA-N	0	3	319.424	2.676	20	30		DFEDHN
C=CCOCCN1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1	ZINC000339124332	427687346	/nfs/dbraw/zinc/68/73/46/427687346.db2.gz	VHQOIQHUJPVLNN-QAPCUYQASA-N	0	3	317.433	2.578	20	30		DFEDHN
C=CCOCCN1C[C@@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000339124331	427688318	/nfs/dbraw/zinc/68/83/18/427688318.db2.gz	VHQOIQHUJPVLNN-MAUKXSAKSA-N	0	3	317.433	2.578	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)CCCOC)C(C)C	ZINC000272298091	427699795	/nfs/dbraw/zinc/69/97/95/427699795.db2.gz	GLXYSPAESOYWPY-DLBZAZTESA-N	0	3	310.482	2.864	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000339189551	427723765	/nfs/dbraw/zinc/72/37/65/427723765.db2.gz	KIOVFPWDWGETBO-OWYVNGRQSA-N	0	3	309.772	2.500	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000299147184	427756282	/nfs/dbraw/zinc/75/62/82/427756282.db2.gz	KTLGHADPPCIEAL-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
CCN(Cc1cccs1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000299250692	427764283	/nfs/dbraw/zinc/76/42/83/427764283.db2.gz	CGNGYCINPRAESG-HNNXBMFYSA-N	0	3	316.426	2.882	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1CCCOc1cccc(C#N)c1	ZINC000336867885	427767218	/nfs/dbraw/zinc/76/72/18/427767218.db2.gz	PWDCNJDNRMGSQP-FUHWJXTLSA-N	0	3	313.445	2.886	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC[C@H]2Cc2ccccc2)cc1	ZINC000336878991	427770859	/nfs/dbraw/zinc/77/08/59/427770859.db2.gz	KLGHKXXZNAQUQC-RBUKOAKNSA-N	0	3	322.408	2.615	20	30		DFEDHN
N#Cc1csc(CNCc2cccc(N3CCOCC3)c2)c1	ZINC000339427402	427772302	/nfs/dbraw/zinc/77/23/02/427772302.db2.gz	YWULDBANEIVDPO-UHFFFAOYSA-N	0	3	313.426	2.746	20	30		DFEDHN
Cc1nnc(NCC(C)(C)N2CCC[C@H](C)C2)c(C#N)c1C	ZINC000301145149	427778437	/nfs/dbraw/zinc/77/84/37/427778437.db2.gz	AGFZWSWBFOJVQI-LBPRGKRZSA-N	0	3	301.438	2.888	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1	ZINC000339214408	427734281	/nfs/dbraw/zinc/73/42/81/427734281.db2.gz	NFZCEQXGCWYMDW-ZDUSSCGKSA-N	0	3	307.353	2.715	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](c2ccco2)C1	ZINC000339225963	427737051	/nfs/dbraw/zinc/73/70/51/427737051.db2.gz	RDXUYRBKURHHJC-WMZOPIPTSA-N	0	3	324.380	2.952	20	30		DFEDHN
CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000186032014	427742839	/nfs/dbraw/zinc/74/28/39/427742839.db2.gz	DNKLETFMJUHCEU-KRWDZBQOSA-N	0	3	322.412	2.623	20	30		DFEDHN
CCc1nnc(N2CCC[C@H](N3CCCC3)C2)c(C#N)c1CC	ZINC000301642011	427811970	/nfs/dbraw/zinc/81/19/70/427811970.db2.gz	ZEGSZGDVTLDJOO-AWEZNQCLSA-N	0	3	313.449	2.538	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccc(Cl)cc2)C1=O	ZINC000337189194	427812228	/nfs/dbraw/zinc/81/22/28/427812228.db2.gz	QZGUWARZPLAADO-CZUORRHYSA-N	0	3	306.837	2.990	20	30		DFEDHN
Cc1cccc2c(NCCCc3[nH]nc(N)c3C#N)ccnc12	ZINC000301649712	427812375	/nfs/dbraw/zinc/81/23/75/427812375.db2.gz	FNLJOOZDRCYBPK-UHFFFAOYSA-N	0	3	306.373	2.765	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2ccc(Cl)cc2)C1=O	ZINC000337189195	427812699	/nfs/dbraw/zinc/81/26/99/427812699.db2.gz	QZGUWARZPLAADO-XJKSGUPXSA-N	0	3	306.837	2.990	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](CO)(C(C)C)C1	ZINC000339700699	427814467	/nfs/dbraw/zinc/81/44/67/427814467.db2.gz	DUTYJGKTWYTTJK-WMZOPIPTSA-N	0	3	310.482	2.530	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H](C(C)C)C1(CO)CCC1	ZINC000339729178	427818069	/nfs/dbraw/zinc/81/80/69/427818069.db2.gz	SNAPRAOJOBHGLS-KRWDZBQOSA-N	0	3	302.418	2.844	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)o1	ZINC000339825183	427841228	/nfs/dbraw/zinc/84/12/28/427841228.db2.gz	XGUODXJILOFTJA-UHFFFAOYSA-N	0	3	311.385	2.875	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)CCCCC1	ZINC000302752750	427863607	/nfs/dbraw/zinc/86/36/07/427863607.db2.gz	NLAFFQAVIHEACN-HZPDHXFCSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2cc3c(c(Br)c2)OCO3)C1	ZINC000349814040	427871507	/nfs/dbraw/zinc/87/15/07/427871507.db2.gz	QXLCOMPTOGMURN-KOLCDFICSA-N	0	3	323.190	2.960	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000339932349	427877167	/nfs/dbraw/zinc/87/71/67/427877167.db2.gz	UXHRUAUKRHPZDX-IJLUTSLNSA-N	0	3	319.371	2.656	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000339940258	427878922	/nfs/dbraw/zinc/87/89/22/427878922.db2.gz	XIJGFELPRLAHGJ-RHSMWYFYSA-N	0	3	321.380	2.512	20	30		DFEDHN
C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCCC[C@H]1C	ZINC000349871229	427885055	/nfs/dbraw/zinc/88/50/55/427885055.db2.gz	DRFJDQZATVRXDO-KGLIPLIRSA-N	0	3	317.408	2.619	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)C1	ZINC000339967425	427889613	/nfs/dbraw/zinc/88/96/13/427889613.db2.gz	YDRIXIZJEUFECK-INMHGKMJSA-N	0	3	314.433	2.623	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@]3(CCCOC3)C2)cc1	ZINC000355792463	427898227	/nfs/dbraw/zinc/89/82/27/427898227.db2.gz	ZPJGXFIIRRVEAF-SFHVURJKSA-N	0	3	300.402	2.830	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000303973610	427907447	/nfs/dbraw/zinc/90/74/47/427907447.db2.gz	HOKBEFDWASDFDY-INIZCTEOSA-N	0	3	307.401	2.733	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccccc2Br)CC1	ZINC000355856303	427924795	/nfs/dbraw/zinc/92/47/95/427924795.db2.gz	CYXDLCMSCOHQMD-SNVBAGLBSA-N	0	3	307.191	2.757	20	30		DFEDHN
CN(CCNc1c(C#N)cnc2c(F)ccc(Cl)c21)C1CC1	ZINC000350715060	427966271	/nfs/dbraw/zinc/96/62/71/427966271.db2.gz	QYQJPSFHEYSHSH-UHFFFAOYSA-N	0	3	318.783	2.827	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000350711738	427966824	/nfs/dbraw/zinc/96/68/24/427966824.db2.gz	NQVZNQPNTLKECF-HZPDHXFCSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000350740794	427968970	/nfs/dbraw/zinc/96/89/70/427968970.db2.gz	HUNKTEALBRIRCV-KBPBESRZSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)NCCOCCN(C)C	ZINC000337599596	427975767	/nfs/dbraw/zinc/97/57/67/427975767.db2.gz	LYDMQEQYEOCSIC-UHFFFAOYSA-N	0	3	305.422	2.505	20	30		DFEDHN
CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CN2CCC1CC2	ZINC000355998794	427976726	/nfs/dbraw/zinc/97/67/26/427976726.db2.gz	LPEJZDARZLIMBB-QZTJIDSGSA-N	0	3	311.429	2.627	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@@H]3CCC(F)(F)C3)CC2)nc1	ZINC000340286781	427978507	/nfs/dbraw/zinc/97/85/07/427978507.db2.gz	USVOCDNXWGRKDD-CYBMUJFWSA-N	0	3	306.360	2.511	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)c1ncc(C#N)cc1F	ZINC000413206001	427990253	/nfs/dbraw/zinc/99/02/53/427990253.db2.gz	YVGILEHOUMTYPT-UHFFFAOYSA-N	0	3	304.394	2.722	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(C)C	ZINC000337505038	427936756	/nfs/dbraw/zinc/93/67/56/427936756.db2.gz	OEAUSWWKWFQAPA-QBPKDAKJSA-N	0	3	308.466	2.615	20	30		DFEDHN
CS[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1N(C)C	ZINC000340736220	427936782	/nfs/dbraw/zinc/93/67/82/427936782.db2.gz	GBKMTDCCLFTCDQ-CVEARBPZSA-N	0	3	312.442	2.588	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](CO)C(C)C	ZINC000359811779	428026732	/nfs/dbraw/zinc/02/67/32/428026732.db2.gz	QQYJQAHXMAEGBN-AWEZNQCLSA-N	0	3	308.447	2.510	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(C)nn(-c2ccc(F)cc2)c1C	ZINC000341279308	428032760	/nfs/dbraw/zinc/03/27/60/428032760.db2.gz	BTRSEHOZBPZBRQ-OAHLLOKOSA-N	0	3	317.408	2.902	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(Br)ccc1OC	ZINC000341271737	428034369	/nfs/dbraw/zinc/03/43/69/428034369.db2.gz	VWSYYBVYTJDJCN-NSHDSACASA-N	0	3	314.223	2.732	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000346156233	428040930	/nfs/dbraw/zinc/04/09/30/428040930.db2.gz	JMLDLDHKRRQIIE-HBUWYVDXSA-N	0	3	311.429	2.669	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000369741043	428049393	/nfs/dbraw/zinc/04/93/93/428049393.db2.gz	KGUTXBBUXRTOKS-HOTGVXAUSA-N	0	3	313.445	2.923	20	30		DFEDHN
Cc1nsc(NC[C@@H](Cc2ccccc2)N(C)C)c1C#N	ZINC000341373740	428049554	/nfs/dbraw/zinc/04/95/54/428049554.db2.gz	BZXSHVRBEGJPSI-CQSZACIVSA-N	0	3	300.431	2.908	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@@H]2CCC[C@H]21	ZINC000359878981	428057819	/nfs/dbraw/zinc/05/78/19/428057819.db2.gz	YMEHSPPIZHCIGG-HZPDHXFCSA-N	0	3	316.401	2.589	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1	ZINC000341189558	428007239	/nfs/dbraw/zinc/00/72/39/428007239.db2.gz	DIDCRQUVNNUIOF-ZFWWWQNUSA-N	0	3	303.406	2.856	20	30		DFEDHN
CCN1CC[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1	ZINC000413567109	428084432	/nfs/dbraw/zinc/08/44/32/428084432.db2.gz	BGRYHPPUARSSSY-IAGOWNOFSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C	ZINC000341524734	428089633	/nfs/dbraw/zinc/08/96/33/428089633.db2.gz	BHZBIPXXMAWOPN-GJZGRUSLSA-N	0	3	317.433	2.639	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1	ZINC000377306290	428102242	/nfs/dbraw/zinc/10/22/42/428102242.db2.gz	GITRPKVSRLNQBX-OALUTQOASA-N	0	3	308.429	2.604	20	30		DFEDHN
CC(C)N1CCCC[C@@H]1CSc1nc(N)c(C#N)cc1C#N	ZINC000352160373	428128239	/nfs/dbraw/zinc/12/82/39/428128239.db2.gz	KIJDYKPFHVGBOT-CQSZACIVSA-N	0	3	315.446	2.762	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000370012460	428111630	/nfs/dbraw/zinc/11/16/30/428111630.db2.gz	XCVLHVYTOMCTCI-BBWFWOEESA-N	0	3	316.449	2.728	20	30		DFEDHN
C=C[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000352452859	428135986	/nfs/dbraw/zinc/13/59/86/428135986.db2.gz	JFJDAXAKYJSAOE-GOSISDBHSA-N	0	3	308.381	2.774	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C	ZINC000413830759	428143400	/nfs/dbraw/zinc/14/34/00/428143400.db2.gz	YDKNDXZTSZIRBM-FUHWJXTLSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](N(C)C)C1	ZINC000413823354	428144453	/nfs/dbraw/zinc/14/44/53/428144453.db2.gz	MRWIISMKVAKWTM-ZWKOTPCHSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(CC)C1	ZINC000413867233	428159800	/nfs/dbraw/zinc/15/98/00/428159800.db2.gz	XBNRJQYMCOBWEW-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
COC1([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000413978699	428176947	/nfs/dbraw/zinc/17/69/47/428176947.db2.gz	WOBABKPETRFNJA-ZBFHGGJFSA-N	0	3	300.402	2.833	20	30		DFEDHN
C[C@@H]1C[C@H](CNC(=O)C(C#N)CCc2ccccc2)[C@H](C)O1	ZINC000413979686	428177482	/nfs/dbraw/zinc/17/74/82/428177482.db2.gz	IXYUKEQIKKFNPF-YQFWSFKMSA-N	0	3	300.402	2.689	20	30		DFEDHN
COCCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1	ZINC000352690157	428205385	/nfs/dbraw/zinc/20/53/85/428205385.db2.gz	BWLSVCNURFBTMB-UHFFFAOYSA-N	0	3	310.401	2.570	20	30		DFEDHN
C[C@H]1C[C@H](CN2CCN(c3cccc(F)c3C#N)CC2)CCO1	ZINC000352695304	428209092	/nfs/dbraw/zinc/20/90/92/428209092.db2.gz	YEFLFTVMNJROPW-LSDHHAIUSA-N	0	3	317.408	2.634	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(-c3cc(C#N)c[nH]3)n2)c1	ZINC000356530104	428219055	/nfs/dbraw/zinc/21/90/55/428219055.db2.gz	FVRLRSMPTSLPHP-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
C=CCOc1ccc(CN2CC([C@H]3CCOC3)C2)cc1OC	ZINC000370478352	428219178	/nfs/dbraw/zinc/21/91/78/428219178.db2.gz	UFMHPBYPUSLXKR-HNNXBMFYSA-N	0	3	303.402	2.728	20	30		DFEDHN
C[C@@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000414169719	428223091	/nfs/dbraw/zinc/22/30/91/428223091.db2.gz	RYLUVWKEGFYHNW-CYBMUJFWSA-N	0	3	323.462	2.527	20	30		DFEDHN
C[C@@H](CCNCc1ccc(C#N)cc1C(F)(F)F)[S@@](C)=O	ZINC000352822354	428266132	/nfs/dbraw/zinc/26/61/32/428266132.db2.gz	KBLIYMARBVIDRP-CHNSCGDPSA-N	0	3	318.364	2.824	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1nc(C#N)cs1)C(C)C	ZINC000352841927	428273158	/nfs/dbraw/zinc/27/31/58/428273158.db2.gz	UJOHCQBBERGUAG-OAHLLOKOSA-N	0	3	304.463	2.803	20	30		DFEDHN
COCC1(C#N)CCN(CCCOCc2ccccc2)CC1	ZINC000342028345	428282124	/nfs/dbraw/zinc/28/21/24/428282124.db2.gz	YQHNXIQFRJMYKC-UHFFFAOYSA-N	0	3	302.418	2.845	20	30		DFEDHN
C=CC[C@H](CO)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000341891621	428243240	/nfs/dbraw/zinc/24/32/40/428243240.db2.gz	VKAWMDOVKMHVAT-STQMWFEESA-N	0	3	308.378	2.829	20	30		DFEDHN
C[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000360472426	428312673	/nfs/dbraw/zinc/31/26/73/428312673.db2.gz	GGTUFIHXSJBAQZ-PBHICJAKSA-N	0	3	313.445	2.898	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)CCc1ccc(C#N)cc1	ZINC000342183723	428338634	/nfs/dbraw/zinc/33/86/34/428338634.db2.gz	QVOOHXHAGIIYFZ-UHFFFAOYSA-N	0	3	313.445	2.825	20	30		DFEDHN
CC(C)(CO)CCCNC(=O)C(C#N)CCc1ccccc1	ZINC000346847508	428345729	/nfs/dbraw/zinc/34/57/29/428345729.db2.gz	MULYDIMVSKHRGT-INIZCTEOSA-N	0	3	302.418	2.674	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000371496142	428392009	/nfs/dbraw/zinc/39/20/09/428392009.db2.gz	HOWQBIAEXPCDNT-DZGCQCFKSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2OC)CC1	ZINC000371517534	428395323	/nfs/dbraw/zinc/39/53/23/428395323.db2.gz	LPGVAHGTIKBFDQ-OAHLLOKOSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1	ZINC000371822102	428404511	/nfs/dbraw/zinc/40/45/11/428404511.db2.gz	HDXCMBJNJVGRGM-OCCSQVGLSA-N	0	3	308.372	2.520	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1	ZINC000371822101	428405329	/nfs/dbraw/zinc/40/53/29/428405329.db2.gz	HDXCMBJNJVGRGM-JSGCOSHPSA-N	0	3	308.372	2.520	20	30		DFEDHN
Cc1cc(Br)cc2c1CN(C(=O)C(C)C#N)CC2	ZINC000342335871	428406286	/nfs/dbraw/zinc/40/62/86/428406286.db2.gz	BEFRXCJSZPAJTI-JTQLQIEISA-N	0	3	307.191	2.802	20	30		DFEDHN
Cc1cc(Br)cc2c1CN(C(=O)C(C)C#N)CC2	ZINC000342335872	428407043	/nfs/dbraw/zinc/40/70/43/428407043.db2.gz	BEFRXCJSZPAJTI-SNVBAGLBSA-N	0	3	307.191	2.802	20	30		DFEDHN
C=CCC[C@H](O)CN1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000357038351	428371291	/nfs/dbraw/zinc/37/12/91/428371291.db2.gz	MXJJKGLKESYDKI-KRWDZBQOSA-N	0	3	315.413	2.874	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000378364825	428377978	/nfs/dbraw/zinc/37/79/78/428377978.db2.gz	SCPQMLBUBVUIOY-CCKFTAQKSA-N	0	3	324.428	2.941	20	30		DFEDHN
COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000342562481	428433578	/nfs/dbraw/zinc/43/35/78/428433578.db2.gz	CXYJFHUCDWKSRI-GDBMZVCRSA-N	0	3	315.417	2.634	20	30		DFEDHN
COc1ccc2[nH]cc(C3=CCN(C(=O)C(C)C#N)CC3)c2c1	ZINC000347074484	428435306	/nfs/dbraw/zinc/43/53/06/428435306.db2.gz	RITLXCDKQXNWKQ-GFCCVEGCSA-N	0	3	309.369	2.952	20	30		DFEDHN
C=CCC(C)(C)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000342663660	428438413	/nfs/dbraw/zinc/43/84/13/428438413.db2.gz	JMGAHYQXDAXALN-HNNXBMFYSA-N	0	3	320.433	2.529	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)s2)C1	ZINC000342726385	428441545	/nfs/dbraw/zinc/44/15/45/428441545.db2.gz	BXYRCOCLBPKUHL-ZDUSSCGKSA-N	0	3	311.410	2.753	20	30		DFEDHN
C=CCCN(C)CC(=O)N(C)CCOc1ccc(Cl)cc1	ZINC000342757539	428446061	/nfs/dbraw/zinc/44/60/61/428446061.db2.gz	BLRYPGZTPLOKDY-UHFFFAOYSA-N	0	3	310.825	2.685	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc(-n3cccn3)c2)nc(C)n1	ZINC000342752783	428447093	/nfs/dbraw/zinc/44/70/93/428447093.db2.gz	PQBMYXJXYFXKRN-MRXNPFEDSA-N	0	3	317.352	2.769	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000347106340	428447291	/nfs/dbraw/zinc/44/72/91/428447291.db2.gz	LPLXUQCSUHCXBK-FZMZJTMJSA-N	0	3	323.799	2.719	20	30		DFEDHN
COc1cccc2c1CC[C@@H]2NCc1cnc2ccc(C#N)cn12	ZINC000342768986	428448778	/nfs/dbraw/zinc/44/87/78/428448778.db2.gz	PFKBCCRFBFDUSY-KRWDZBQOSA-N	0	3	318.380	2.992	20	30		DFEDHN
COCC[C@@H]1CCCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000342764565	428449494	/nfs/dbraw/zinc/44/94/94/428449494.db2.gz	ZXVZLIRNBFOSAE-BQFCYCMXSA-N	0	3	323.481	2.568	20	30		DFEDHN
CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C(C)C#N)O[C@@H](C)C2	ZINC000347121939	428455621	/nfs/dbraw/zinc/45/56/21/428455621.db2.gz	ZSLWSFWAAGQQIX-UHXUCMFUSA-N	0	3	314.385	2.540	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)c1nccc(C#N)c1Cl	ZINC000342786309	428456157	/nfs/dbraw/zinc/45/61/57/428456157.db2.gz	VMFUHSUTHULFGA-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000360850048	428462117	/nfs/dbraw/zinc/46/21/17/428462117.db2.gz	NOSTVDMIVYEHEC-IAGOWNOFSA-N	0	3	313.445	2.704	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)o1	ZINC000342844139	428469862	/nfs/dbraw/zinc/46/98/62/428469862.db2.gz	SDOSDLNMVFIMRR-SUMWQHHRSA-N	0	3	312.369	2.661	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C	ZINC000347050601	428424087	/nfs/dbraw/zinc/42/40/87/428424087.db2.gz	QXBXQRXWDOMEAS-GJZGRUSLSA-N	0	3	302.418	2.740	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2cc(Br)cc(F)c2C1	ZINC000342384698	428424576	/nfs/dbraw/zinc/42/45/76/428424576.db2.gz	SBHNPMVFGULDJB-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C(C)C)N(C)C	ZINC000342504140	428430624	/nfs/dbraw/zinc/43/06/24/428430624.db2.gz	XXNXTWOLRAKSRN-QGZVFWFLSA-N	0	3	320.481	2.955	20	30		DFEDHN
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C(C)C#N)cc1	ZINC000347070462	428432032	/nfs/dbraw/zinc/43/20/32/428432032.db2.gz	NUVBNFPNTOMPFO-OLZOCXBDSA-N	0	3	316.405	2.897	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CCC)c2ccccn2)CC1	ZINC000353322504	428484006	/nfs/dbraw/zinc/48/40/06/428484006.db2.gz	CEVRBVGTPGSLIB-MRXNPFEDSA-N	0	3	301.434	2.732	20	30		DFEDHN
Cc1ccc(NC[C@H]2CCN(C)[C@@H]2c2cccs2)nc1C#N	ZINC000372736890	428495531	/nfs/dbraw/zinc/49/55/31/428495531.db2.gz	FHKNLSKJITXDSX-DYVFJYSZSA-N	0	3	312.442	3.428	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)C[C@H]1CCCN1c1cccnn1	ZINC000353362131	428503402	/nfs/dbraw/zinc/50/34/02/428503402.db2.gz	DBEIMCGBQFFZQV-CQSZACIVSA-N	0	3	313.430	2.511	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000372900624	428506572	/nfs/dbraw/zinc/50/65/72/428506572.db2.gz	OKPJAOPQIGCYMR-DLBZAZTESA-N	0	3	317.408	2.814	20	30		DFEDHN
N#Cc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1Cl	ZINC000373056977	428514011	/nfs/dbraw/zinc/51/40/11/428514011.db2.gz	MVIPQPSVNFJENB-CQSZACIVSA-N	0	3	307.850	2.839	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@]2(CCCOC2)C1	ZINC000347253493	428515619	/nfs/dbraw/zinc/51/56/19/428515619.db2.gz	IULTXZYHXCCBLK-GOSISDBHSA-N	0	3	300.402	2.959	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@H](C)N(C)C1CC1	ZINC000353394949	428518729	/nfs/dbraw/zinc/51/87/29/428518729.db2.gz	MLVMSHYUJUDVQT-AWEZNQCLSA-N	0	3	305.422	2.502	20	30		DFEDHN
CN(C)[C@H](CNCc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000343089390	428520030	/nfs/dbraw/zinc/52/00/30/428520030.db2.gz	CTRNOLBHHDSOGS-SFHVURJKSA-N	0	3	311.404	2.960	20	30		DFEDHN
CC[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1CCOC	ZINC000361002894	428526967	/nfs/dbraw/zinc/52/69/67/428526967.db2.gz	MCIUDWCUQXJILE-INIZCTEOSA-N	0	3	324.428	2.653	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C	ZINC000347285996	428528181	/nfs/dbraw/zinc/52/81/81/428528181.db2.gz	NSRZLSMVCLDRJO-RHSMWYFYSA-N	0	3	316.401	2.753	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000361023053	428528471	/nfs/dbraw/zinc/52/84/71/428528471.db2.gz	KRZUNOAGNXPQQP-GHMZBOCLSA-N	0	3	311.307	2.560	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H]1CCCn2cc(C)nc21	ZINC000372591815	428471282	/nfs/dbraw/zinc/47/12/82/428471282.db2.gz	XQJSDXFRCYGHIC-KRWDZBQOSA-N	0	3	309.413	2.871	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC(C)CC1	ZINC000353543699	428585778	/nfs/dbraw/zinc/58/57/78/428585778.db2.gz	XXNJHOAAFKXVKP-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1	ZINC000407988353	428587270	/nfs/dbraw/zinc/58/72/70/428587270.db2.gz	BPZVDLARPJYLML-PBHICJAKSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1nn(C)cc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000343273042	428542519	/nfs/dbraw/zinc/54/25/19/428542519.db2.gz	WQNRTDFIDSBUSF-CJNGLKHVSA-N	0	3	310.401	2.678	20	30		DFEDHN
C=CCOc1ccc(CN2CCC([C@H](C)NC(C)=O)CC2)cc1	ZINC000361165845	428542809	/nfs/dbraw/zinc/54/28/09/428542809.db2.gz	LADQYTUNRORXIN-HNNXBMFYSA-N	0	3	316.445	2.988	20	30		DFEDHN
N#CCSCCCN1CCC(c2noc(C(F)F)n2)CC1	ZINC000373302717	428543185	/nfs/dbraw/zinc/54/31/85/428543185.db2.gz	XFRRWZMMOZTLKC-UHFFFAOYSA-N	0	3	316.377	2.833	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1OC	ZINC000361165501	428544060	/nfs/dbraw/zinc/54/40/60/428544060.db2.gz	JQBSTSYECDBIPC-HUUCEWRRSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1OC	ZINC000361165499	428544753	/nfs/dbraw/zinc/54/47/53/428544753.db2.gz	JQBSTSYECDBIPC-CABCVRRESA-N	0	3	304.434	2.784	20	30		DFEDHN
Cc1ccc(N2CCN(C)[C@@H](Cc3ccccc3)C2)nc1C#N	ZINC000343643464	428565409	/nfs/dbraw/zinc/56/54/09/428565409.db2.gz	DQOOVSSLPOQRCW-KRWDZBQOSA-N	0	3	306.413	2.625	20	30		DFEDHN
CC(C#N)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000357839980	428566746	/nfs/dbraw/zinc/56/67/46/428566746.db2.gz	UBYXXQYBFJKERX-CYBMUJFWSA-N	0	3	305.809	2.534	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCCN(CCCSCC#N)CC1	ZINC000361441296	428567217	/nfs/dbraw/zinc/56/72/17/428567217.db2.gz	SGJDBVLANURBOO-UHFFFAOYSA-N	0	3	313.467	2.576	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000361436729	428567343	/nfs/dbraw/zinc/56/73/43/428567343.db2.gz	BGSSROBSIVKQMH-KBXCAEBGSA-N	0	3	300.402	2.889	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CC[C@H](C2CCN(C)CC2)C1	ZINC000347401526	428569592	/nfs/dbraw/zinc/56/95/92/428569592.db2.gz	CQXVIXKPOFUGGS-KRWDZBQOSA-N	0	3	311.429	2.929	20	30		DFEDHN
COC1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CCCC1	ZINC000361508200	428574088	/nfs/dbraw/zinc/57/40/88/428574088.db2.gz	JQLOEIXZDBQRBY-GOSISDBHSA-N	0	3	313.445	2.828	20	30		DFEDHN
CCc1nocc1CN(C)C(=O)C(C#N)CCc1ccccc1	ZINC000358412688	428599383	/nfs/dbraw/zinc/59/93/83/428599383.db2.gz	SQRNXZNIKNGAAR-HNNXBMFYSA-N	0	3	311.385	2.968	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1	ZINC000353570861	428599540	/nfs/dbraw/zinc/59/95/40/428599540.db2.gz	UBKOHQSFRONLOP-DZGCQCFKSA-N	0	3	305.422	2.758	20	30		DFEDHN
COc1cc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)ccn1	ZINC000347546503	428601622	/nfs/dbraw/zinc/60/16/22/428601622.db2.gz	XDTGTCKZHMVGKC-CYBMUJFWSA-N	0	3	324.384	2.641	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC(F)(F)F)CC1	ZINC000361940620	428605798	/nfs/dbraw/zinc/60/57/98/428605798.db2.gz	RVWHNGJLDVVPCA-NSHDSACASA-N	0	3	307.360	2.667	20	30		DFEDHN
O=C1C[C@H]([C@@H]2CCCCN2CC#Cc2ccc(Cl)cc2)CN1	ZINC000362078855	428614287	/nfs/dbraw/zinc/61/42/87/428614287.db2.gz	NCIYHZJWEZQJGO-RDJZCZTQSA-N	0	3	316.832	2.682	20	30		DFEDHN
COC[C@H](Cc1ccccc1)NCc1ccc(C#N)c(OC)c1	ZINC000353612849	428619117	/nfs/dbraw/zinc/61/91/17/428619117.db2.gz	SXNPZUSVBNDUBY-SFHVURJKSA-N	0	3	310.397	2.914	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)C1CCN(c2cccnn2)CC1	ZINC000353609643	428620406	/nfs/dbraw/zinc/62/04/06/428620406.db2.gz	UJQBOUUWMIYTDN-UHFFFAOYSA-N	0	3	313.430	2.511	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C	ZINC000347613001	428620767	/nfs/dbraw/zinc/62/07/67/428620767.db2.gz	ZXNDYJLIBFGXMS-LMMKCTJWSA-N	0	3	302.462	2.908	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(N)ccc2F)CC1	ZINC000415905871	428621556	/nfs/dbraw/zinc/62/15/56/428621556.db2.gz	OVEUPYKXTCUMLU-UHFFFAOYSA-N	0	3	306.385	2.570	20	30		DFEDHN
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(C)C#N)cc1	ZINC000347719820	428621568	/nfs/dbraw/zinc/62/15/68/428621568.db2.gz	HZBYQNBYOCGMKA-DOTOQJQBSA-N	0	3	300.402	2.705	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)C(C#N)CCc2ccccc2)o1	ZINC000347752148	428622521	/nfs/dbraw/zinc/62/25/21/428622521.db2.gz	NHNDPBZCUSCWEB-OAHLLOKOSA-N	0	3	311.385	2.934	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)CC1CCCC1	ZINC000344078692	428623091	/nfs/dbraw/zinc/62/30/91/428623091.db2.gz	YLKDXXUIJSPGBF-IBGZPJMESA-N	0	3	316.445	2.948	20	30		DFEDHN
CC(C)CC[C@H](O)CN(C)CCOCc1ccc(C#N)cc1	ZINC000344126881	428624844	/nfs/dbraw/zinc/62/48/44/428624844.db2.gz	YCCYLAGSZQARAL-SFHVURJKSA-N	0	3	304.434	2.804	20	30		DFEDHN
COc1cc(CN(C)[C@H]2CCO[C@H]2c2cccnc2)ccc1C#N	ZINC000344300692	428627883	/nfs/dbraw/zinc/62/78/83/428627883.db2.gz	PWEMZZFBROFJGY-HKUYNNGSSA-N	0	3	323.396	2.924	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)CC2CCCC2)CC1	ZINC000347976726	428631938	/nfs/dbraw/zinc/63/19/38/428631938.db2.gz	YYRBQOYPMHTGQF-UHFFFAOYSA-N	0	3	308.466	2.694	20	30		DFEDHN
COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000347968328	428633288	/nfs/dbraw/zinc/63/32/88/428633288.db2.gz	QRACRJRBJXKWQL-QGZVFWFLSA-N	0	3	319.364	2.566	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1F)CCNC2	ZINC000415967734	428636971	/nfs/dbraw/zinc/63/69/71/428636971.db2.gz	DOUWSLMKTOMGHM-UHFFFAOYSA-N	0	3	304.369	2.533	20	30		DFEDHN
COc1cc(Br)ccc1[C@H](C)NC(=O)C(C)C#N	ZINC000348143161	428640916	/nfs/dbraw/zinc/64/09/16/428640916.db2.gz	LAXGCPDYQKJPOS-IUCAKERBSA-N	0	3	311.179	2.795	20	30		DFEDHN
COc1cc(Br)ccc1[C@@H](C)NC(=O)C(C)C#N	ZINC000348143158	428641377	/nfs/dbraw/zinc/64/13/77/428641377.db2.gz	LAXGCPDYQKJPOS-DTWKUNHWSA-N	0	3	311.179	2.795	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000344457915	428649580	/nfs/dbraw/zinc/64/95/80/428649580.db2.gz	JIISWDYLFJFUBP-CZPYZCIJSA-N	0	3	315.417	2.534	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)C1CCCC1	ZINC000331403847	274258191	/nfs/dbraw/zinc/25/81/91/274258191.db2.gz	NSZVENZIUWPVPG-BXUZGUMPSA-N	0	3	303.431	2.893	20	30		DFEDHN
O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1CC#Cc1cccc(Cl)c1	ZINC000374072851	428661997	/nfs/dbraw/zinc/66/19/97/428661997.db2.gz	UOUIAFWXFJVQSG-OKZBNKHCSA-N	0	3	319.832	2.553	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000374163302	428668899	/nfs/dbraw/zinc/66/88/99/428668899.db2.gz	ONKJXNARNSALRZ-XDNAFOTISA-N	0	3	322.493	2.673	20	30		DFEDHN
CN(C)[C@H](CC(=O)N1CCC(F)(C#N)CC1)c1ccccc1	ZINC000416240739	428698390	/nfs/dbraw/zinc/69/83/90/428698390.db2.gz	KDVKOUYAXPLUOX-OAHLLOKOSA-N	0	3	303.381	2.534	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000362370855	428720542	/nfs/dbraw/zinc/72/05/42/428720542.db2.gz	NSFYCQPJHKJXNW-YOEHRIQHSA-N	0	3	317.433	2.706	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C#N)CCC1	ZINC000416344831	428722036	/nfs/dbraw/zinc/72/20/36/428722036.db2.gz	DRRHGGNRURNYJL-UHFFFAOYSA-N	0	3	311.385	2.918	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000362372425	428723184	/nfs/dbraw/zinc/72/31/84/428723184.db2.gz	ZRZQRJHMTYZCDW-PBHICJAKSA-N	0	3	319.449	2.952	20	30		DFEDHN
N#CC1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCC1	ZINC000416353324	428723429	/nfs/dbraw/zinc/72/34/29/428723429.db2.gz	IWBNBZHUYSDJIX-UHFFFAOYSA-N	0	3	311.429	2.709	20	30		DFEDHN
CC(=O)c1cc(C#N)ccc1NC(=O)C1CCN(C2CC2)CC1	ZINC000411058789	428732537	/nfs/dbraw/zinc/73/25/37/428732537.db2.gz	DMJMVLXAKLAHHI-UHFFFAOYSA-N	0	3	311.385	2.574	20	30		DFEDHN
C=C(C)Cn1c(N(C)[C@H]2CCN(C3CC3)C2)nnc1C(C)(C)C	ZINC000358805278	428684422	/nfs/dbraw/zinc/68/44/22/428684422.db2.gz	LESNGNGSZUANSE-HNNXBMFYSA-N	0	3	317.481	2.825	20	30		DFEDHN
CC(C)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348484029	428757509	/nfs/dbraw/zinc/75/75/09/428757509.db2.gz	KMHGMDMCZTVGQN-UONOGXRCSA-N	0	3	323.318	2.944	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)[C@@H](CO)c1ccccc1	ZINC000411225617	428762508	/nfs/dbraw/zinc/76/25/08/428762508.db2.gz	NJDLTSZHJQYPEP-SFHVURJKSA-N	0	3	323.396	2.552	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000411256343	428767177	/nfs/dbraw/zinc/76/71/77/428767177.db2.gz	IEDFWVYFMMXIFB-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000348530697	428771335	/nfs/dbraw/zinc/77/13/35/428771335.db2.gz	AYRFYJZXRMNCKV-RHSMWYFYSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC)C[C@@H]2C)cc(OC)c1O	ZINC000348556825	428789444	/nfs/dbraw/zinc/78/94/44/428789444.db2.gz	PWVUENURTFOFQV-AWEZNQCLSA-N	0	3	304.434	2.655	20	30		DFEDHN
C[C@H]1CN(CCCSCC#N)CCN1Cc1ccccc1	ZINC000411117556	428742042	/nfs/dbraw/zinc/74/20/42/428742042.db2.gz	HZUXSYBFJZDBGX-INIZCTEOSA-N	0	3	303.475	2.840	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1ccccc1C	ZINC000358951078	428744972	/nfs/dbraw/zinc/74/49/72/428744972.db2.gz	MJDQIFYVXQPQSE-SFHVURJKSA-N	0	3	313.445	2.764	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000358960070	428749785	/nfs/dbraw/zinc/74/97/85/428749785.db2.gz	RQWOFERREASETI-ZIAGYGMSSA-N	0	3	303.454	2.651	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN[C@H](CCO)c2ccccc2)c1	ZINC000411449289	428800777	/nfs/dbraw/zinc/80/07/77/428800777.db2.gz	RUILKVFXTPUMCV-GOSISDBHSA-N	0	3	323.396	2.600	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@H](CC)N(CC)CC)cc1	ZINC000359102971	428818568	/nfs/dbraw/zinc/81/85/68/428818568.db2.gz	LUXFXIZMNPNQHO-KRWDZBQOSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@H]2CCCN2CCC)cc1	ZINC000359104380	428819423	/nfs/dbraw/zinc/81/94/23/428819423.db2.gz	ISNBLTDCTGHCNC-QGZVFWFLSA-N	0	3	302.418	2.742	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCCC[C@@H]1CC	ZINC000411642906	428830969	/nfs/dbraw/zinc/83/09/69/428830969.db2.gz	NVVUYHJFJQDUFD-SJORKVTESA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000411637995	428832290	/nfs/dbraw/zinc/83/22/90/428832290.db2.gz	GSJQDSSMJYJGKZ-MRXNPFEDSA-N	0	3	303.450	2.762	20	30		DFEDHN
COC1([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)CCC1	ZINC000412020593	428910639	/nfs/dbraw/zinc/91/06/39/428910639.db2.gz	JHTDIAYTKOZDJT-LLVKDONJSA-N	0	3	321.808	2.697	20	30		DFEDHN
CN1CCC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1ccccc1	ZINC000375361724	428865413	/nfs/dbraw/zinc/86/54/13/428865413.db2.gz	LJWVWFNPHOZLPH-IEBWSBKVSA-N	0	3	306.413	3.448	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1	ZINC000363394058	428911356	/nfs/dbraw/zinc/91/13/56/428911356.db2.gz	VSTFLPZZDIHGTP-GOSISDBHSA-N	0	3	311.429	2.843	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CCCN(CC)CC1	ZINC000359247855	428886657	/nfs/dbraw/zinc/88/66/57/428886657.db2.gz	ADFVWYLWZHFLLX-UHFFFAOYSA-N	0	3	303.454	2.654	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000375444894	428887791	/nfs/dbraw/zinc/88/77/91/428887791.db2.gz	NOOAIHKCFVLJAE-HNNXBMFYSA-N	0	3	324.384	2.687	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)c1	ZINC000363394059	428912189	/nfs/dbraw/zinc/91/21/89/428912189.db2.gz	VSTFLPZZDIHGTP-SFHVURJKSA-N	0	3	311.429	2.843	20	30		DFEDHN
CN(C)C1(CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000419010454	428926098	/nfs/dbraw/zinc/92/60/98/428926098.db2.gz	PPNIXFKLWOUTFJ-UHFFFAOYSA-N	0	3	302.328	2.891	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCOCC2CCC2)CC1	ZINC000419186303	428928974	/nfs/dbraw/zinc/92/89/74/428928974.db2.gz	LYERPQOXOUECHM-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
Cc1ccc(CC(C)(C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000419334826	428930914	/nfs/dbraw/zinc/93/09/14/428930914.db2.gz	NREMYMATPGMKHM-LJQANCHMSA-N	0	3	315.461	2.960	20	30		DFEDHN
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[C@@H]1C(C)(C)C	ZINC000419322492	428931927	/nfs/dbraw/zinc/93/19/27/428931927.db2.gz	HMGDYPZTRBAVHP-RLFYNMQTSA-N	0	3	305.466	2.941	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1C(=O)OC(C)(C)C	ZINC000412076953	428943092	/nfs/dbraw/zinc/94/30/92/428943092.db2.gz	QKWNFNDWRBLPCW-CZUORRHYSA-N	0	3	300.402	2.968	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074364	428943521	/nfs/dbraw/zinc/94/35/21/428943521.db2.gz	QZBLWLAWMRXROY-CABCVRRESA-N	0	3	324.465	2.511	20	30		DFEDHN
C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1	ZINC000363578558	428945767	/nfs/dbraw/zinc/94/57/67/428945767.db2.gz	PMXBGBMSBMZPTL-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420605185	428958046	/nfs/dbraw/zinc/95/80/46/428958046.db2.gz	UKKRZLQTUJRTFG-QAPCUYQASA-N	0	3	321.428	2.838	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C	ZINC000412120616	428959507	/nfs/dbraw/zinc/95/95/07/428959507.db2.gz	DRDPJYDJEUKACO-NKGKWGDASA-N	0	3	311.429	2.603	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCc1ccc(C#N)s1	ZINC000420801240	428963065	/nfs/dbraw/zinc/96/30/65/428963065.db2.gz	KCCCDSBFXVRFGS-QWHCGFSZSA-N	0	3	320.462	2.539	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2ccncc2C#N)CCN1Cc1ccccc1	ZINC000363689407	428970740	/nfs/dbraw/zinc/97/07/40/428970740.db2.gz	BRDPDNJPHYAZSA-YJBOKZPZSA-N	0	3	306.413	2.840	20	30		DFEDHN
COC1([C@H](C)NCC#Cc2ccccc2Cl)CCOCC1	ZINC000421035932	428977384	/nfs/dbraw/zinc/97/73/84/428977384.db2.gz	PRTLXUFETQONKE-AWEZNQCLSA-N	0	3	307.821	2.865	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c1	ZINC000354707353	429005485	/nfs/dbraw/zinc/00/54/85/429005485.db2.gz	CJQPBIMAPVYIAB-RBUKOAKNSA-N	0	3	317.429	2.661	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCc2ccccc2C1	ZINC000424106377	429091438	/nfs/dbraw/zinc/09/14/38/429091438.db2.gz	SIATVVDIAYJWDW-ZWKOTPCHSA-N	0	3	313.445	2.804	20	30		DFEDHN
Cc1cc(-c2csc(NC(=O)[C@H](N)CCCC#N)n2)c(C)o1	ZINC000424106384	429091602	/nfs/dbraw/zinc/09/16/02/429091602.db2.gz	XCGZLFMAKHIQLG-GFCCVEGCSA-N	0	3	318.402	2.980	20	30		DFEDHN
Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H](N)CCCC#N)c1C	ZINC000424105415	429091763	/nfs/dbraw/zinc/09/17/63/429091763.db2.gz	JODIRRHKUBAKAE-INIZCTEOSA-N	0	3	312.417	2.731	20	30		DFEDHN
CCc1ccc(C(C)(C)CNC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424115972	429092898	/nfs/dbraw/zinc/09/28/98/429092898.db2.gz	BBMMKQBEFXGTHS-INIZCTEOSA-N	0	3	301.434	2.664	20	30		DFEDHN
C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@H](N)CCCC#N)C1	ZINC000424123883	429095209	/nfs/dbraw/zinc/09/52/09/429095209.db2.gz	LBGFORRWVSZGTN-IEBWSBKVSA-N	0	3	313.445	2.879	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000412408962	429036106	/nfs/dbraw/zinc/03/61/06/429036106.db2.gz	KARRWLDVCGNCIJ-OKZBNKHCSA-N	0	3	311.429	2.603	20	30		DFEDHN
COc1cc(CN2CCC[C@H]2Cn2ccnc2C)ccc1C#N	ZINC000375999439	429039080	/nfs/dbraw/zinc/03/90/80/429039080.db2.gz	KWEAWYOSLLIQMQ-KRWDZBQOSA-N	0	3	310.401	2.736	20	30		DFEDHN
COc1ccc(CN(C)CC2(O)CCC2)cc1OCCCC#N	ZINC000355361198	429041803	/nfs/dbraw/zinc/04/18/03/429041803.db2.gz	GXFFUILSZPUINP-UHFFFAOYSA-N	0	3	318.417	2.725	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](CCO)CC1	ZINC000422078917	429047818	/nfs/dbraw/zinc/04/78/18/429047818.db2.gz	USUKFUMAPORGSG-ZWKOTPCHSA-N	0	3	314.429	2.770	20	30		DFEDHN
Cc1c(F)cccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000422122508	429048527	/nfs/dbraw/zinc/04/85/27/429048527.db2.gz	PZPXBBCVIZBUTC-CYBMUJFWSA-N	0	3	312.348	2.942	20	30		DFEDHN
C[C@@H](NC[C@@H]1CCCN1c1cccnn1)c1cccc(C#N)c1	ZINC000376179297	429071801	/nfs/dbraw/zinc/07/18/01/429071801.db2.gz	ZKIOUWIKWKTUKY-PBHICJAKSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#Cc1ccc(OCCN2CCCC[C@@H]2Cn2cccn2)cc1	ZINC000376215512	429077541	/nfs/dbraw/zinc/07/75/41/429077541.db2.gz	IUGMFQPQHWCFQE-QGZVFWFLSA-N	0	3	310.401	2.688	20	30		DFEDHN
CCc1oc2ccccc2c1CN(C)C(=O)[C@H](N)CCCC#N	ZINC000424058404	429084048	/nfs/dbraw/zinc/08/40/48/429084048.db2.gz	DFPPCPUGIGBLNC-OAHLLOKOSA-N	0	3	313.401	2.975	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	ZINC000424058960	429084070	/nfs/dbraw/zinc/08/40/70/429084070.db2.gz	ATUHPRFGDZSMSM-CABCVRRESA-N	0	3	305.809	2.928	20	30		DFEDHN
CC(C)(C)c1ccc(OCCNC(=O)[C@H](N)CCCC#N)cc1	ZINC000424069589	429086310	/nfs/dbraw/zinc/08/63/10/429086310.db2.gz	VIMDOCXYHNVLJF-MRXNPFEDSA-N	0	3	317.433	2.500	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Br)c(F)c1	ZINC000424082961	429088582	/nfs/dbraw/zinc/08/85/82/429088582.db2.gz	MGLRIIRPZZAWEV-NSHDSACASA-N	0	3	314.158	2.548	20	30		DFEDHN
CC1CCC(N2CCN(c3ncc(C#N)cc3F)CC2)CC1	ZINC000413141943	429146187	/nfs/dbraw/zinc/14/61/87/429146187.db2.gz	NBKJKGUISMTLJY-UHFFFAOYSA-N	0	3	302.397	2.793	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@H]3CCN(C4CCCC4)C3)CC2)cc1	ZINC000364002938	429155129	/nfs/dbraw/zinc/15/51/29/429155129.db2.gz	XDVAAGAHDNCEBZ-KRWDZBQOSA-N	0	3	323.440	2.723	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000424155353	429101008	/nfs/dbraw/zinc/10/10/08/429101008.db2.gz	LAZBLUSQNIACTR-QRVBRYPASA-N	0	3	324.424	2.937	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H]1CCCOc2c(Cl)cccc21	ZINC000424172469	429103899	/nfs/dbraw/zinc/10/38/99/429103899.db2.gz	OCSDNLWUXMQSLE-KBPBESRZSA-N	0	3	321.808	2.691	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	ZINC000424167405	429104093	/nfs/dbraw/zinc/10/40/93/429104093.db2.gz	DUPXCYRMMWTKIX-IMJJTQAJSA-N	0	3	303.381	2.599	20	30		DFEDHN
CCCN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCCc2cccnc21	ZINC000424178767	429106316	/nfs/dbraw/zinc/10/63/16/429106316.db2.gz	XIYRVYOMQKTHSA-HOTGVXAUSA-N	0	3	314.433	2.719	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000376430757	429112452	/nfs/dbraw/zinc/11/24/52/429112452.db2.gz	ZFYYEAJOQUDCFF-QGZVFWFLSA-N	0	3	324.428	2.940	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N3CCC[C@H](N4CCCC4)C3)CC2)c1	ZINC000435028093	429117698	/nfs/dbraw/zinc/11/76/98/429117698.db2.gz	OTCKXPHIQDSGAO-SFHVURJKSA-N	0	3	323.440	2.677	20	30		DFEDHN
COc1cccc([C@H](CNc2ncc(C#N)cc2F)N(C)C)c1	ZINC000413030807	429125504	/nfs/dbraw/zinc/12/55/04/429125504.db2.gz	WCQFEXRIEHEVKR-INIZCTEOSA-N	0	3	314.364	2.816	20	30		DFEDHN
CC[C@H](C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC	ZINC000452803499	429139303	/nfs/dbraw/zinc/13/93/03/429139303.db2.gz	HFTHGJOJONNZOV-USXIJHARSA-N	0	3	302.418	2.936	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000494863043	429160153	/nfs/dbraw/zinc/16/01/53/429160153.db2.gz	BAHFAONMJDSBIR-OAHLLOKOSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000454665230	429170026	/nfs/dbraw/zinc/17/00/26/429170026.db2.gz	JFHLAOKNHXGCBI-HZPDHXFCSA-N	0	3	301.434	2.724	20	30		DFEDHN
Cc1nc(NC[C@@H](c2cccs2)N2CCCC2)ccc1C#N	ZINC000487901697	429171614	/nfs/dbraw/zinc/17/16/14/429171614.db2.gz	YICZRTXZCBEKBY-HNNXBMFYSA-N	0	3	312.442	3.572	20	30		DFEDHN
C[C@H]1C[C@H]1CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000488333513	429179237	/nfs/dbraw/zinc/17/92/37/429179237.db2.gz	NDDSWGVTSCHRIO-GJZGRUSLSA-N	0	3	306.413	2.884	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000424802729	429193969	/nfs/dbraw/zinc/19/39/69/429193969.db2.gz	XTAMHRSOHUGDIJ-QGZVFWFLSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCN(C(=O)OCC)C2)cc1	ZINC000495425142	429207353	/nfs/dbraw/zinc/20/73/53/429207353.db2.gz	WSRFUFZLRIQAHB-OAHLLOKOSA-N	0	3	304.390	2.572	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C	ZINC000455749206	429207673	/nfs/dbraw/zinc/20/76/73/429207673.db2.gz	DIERORSOPFHXQA-YOEHRIQHSA-N	0	3	313.445	2.726	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(C#N)ccc2F)C1	ZINC000495482882	429213050	/nfs/dbraw/zinc/21/30/50/429213050.db2.gz	YUJUUZUOFMAUCN-OCCSQVGLSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCOCCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000495524027	429218133	/nfs/dbraw/zinc/21/81/33/429218133.db2.gz	MJHZUTPPMORJQM-UHFFFAOYSA-N	0	3	312.454	2.910	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1	ZINC000439691180	429221103	/nfs/dbraw/zinc/22/11/03/429221103.db2.gz	FQTSDOHRICINGL-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
COc1cc(CN[C@@H](CO)Cc2ccc(C)cc2)ccc1C#N	ZINC000440623814	429226220	/nfs/dbraw/zinc/22/62/20/429226220.db2.gz	XIBDYBSJQHFVFZ-GOSISDBHSA-N	0	3	310.397	2.569	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H]([C@H]2CCOC2)C1	ZINC000441275681	429228987	/nfs/dbraw/zinc/22/89/87/429228987.db2.gz	FSOVGNFYTAIUNL-HOTGVXAUSA-N	0	3	300.402	2.815	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N[C@H](C)CN2CCCCC2)c1	ZINC000456000941	429230783	/nfs/dbraw/zinc/23/07/83/429230783.db2.gz	LJLOMAZBIRRJQY-CQSZACIVSA-N	0	3	300.406	2.863	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@]2(CCCOC2)C1	ZINC000437567471	429204845	/nfs/dbraw/zinc/20/48/45/429204845.db2.gz	IUHPVSVHFCCVFN-GOSISDBHSA-N	0	3	300.402	2.959	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000442676081	429235489	/nfs/dbraw/zinc/23/54/89/429235489.db2.gz	GNWQFODYDQASJY-MAUKXSAKSA-N	0	3	311.429	2.954	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1	ZINC000442785936	429235898	/nfs/dbraw/zinc/23/58/98/429235898.db2.gz	APWOIVHMBZDCCB-UKPHBRMFSA-N	0	3	313.401	2.586	20	30		DFEDHN
CCOC1CC(N(C)C(=O)C(C#N)CCc2ccccc2)C1	ZINC000489469717	429245036	/nfs/dbraw/zinc/24/50/36/429245036.db2.gz	BTUCFXHUVJKCMT-KLAILNCOSA-N	0	3	300.402	2.785	20	30		DFEDHN
C[C@@H]1CC[C@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1	ZINC000364675840	429247546	/nfs/dbraw/zinc/24/75/46/429247546.db2.gz	MSBPKEJHSBSINP-BEFAXECRSA-N	0	3	311.429	2.687	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2ncc3c(c2C#N)CCC3)C[C@@H](C)C1	ZINC000425270007	429254569	/nfs/dbraw/zinc/25/45/69/429254569.db2.gz	RZSZCKXSWBDGGC-IYOUNJFTSA-N	0	3	310.445	2.608	20	30		DFEDHN
C=C(CC)CN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495735930	429255318	/nfs/dbraw/zinc/25/53/18/429255318.db2.gz	FFWJLZBLDFMXHB-HUUCEWRRSA-N	0	3	310.438	2.663	20	30		DFEDHN
C=CCCCS(=O)(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000489644380	429255338	/nfs/dbraw/zinc/25/53/38/429255338.db2.gz	PSIKTOQGOLZVHH-HUUCEWRRSA-N	0	3	314.495	2.525	20	30		DFEDHN
C=C(C)CCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495746603	429257508	/nfs/dbraw/zinc/25/75/08/429257508.db2.gz	NBKLVJJXUXVQJU-CABCVRRESA-N	0	3	312.454	2.957	20	30		DFEDHN
Cc1cc(CNC[C@H](O)COc2ccc(F)cc2)ccc1C#N	ZINC000443968546	429260661	/nfs/dbraw/zinc/26/06/61/429260661.db2.gz	FHZMCFZWKAJGGN-KRWDZBQOSA-N	0	3	314.360	2.535	20	30		DFEDHN
C=CCCCS(=O)(=O)NC[C@H]1CCCN1C1CCCCC1	ZINC000489844234	429264796	/nfs/dbraw/zinc/26/47/96/429264796.db2.gz	KSJWPFFNOGSZPY-MRXNPFEDSA-N	0	3	314.495	2.669	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000456299585	429271803	/nfs/dbraw/zinc/27/18/03/429271803.db2.gz	FLRVWGLPUGXWDE-GPMSIDNRSA-N	0	3	311.429	2.517	20	30		DFEDHN
C=CCn1cc(CNC2CCC(c3ccc(O)cc3)CC2)nn1	ZINC000425349715	429271882	/nfs/dbraw/zinc/27/18/82/429271882.db2.gz	HCHKFMQRADJOIV-UHFFFAOYSA-N	0	3	312.417	2.986	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000444733348	429277187	/nfs/dbraw/zinc/27/71/87/429277187.db2.gz	QQCRPVMLUIALTF-CABCVRRESA-N	0	3	312.335	2.888	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1	ZINC000444733350	429277636	/nfs/dbraw/zinc/27/76/36/429277636.db2.gz	QQCRPVMLUIALTF-HUUCEWRRSA-N	0	3	312.335	2.888	20	30		DFEDHN
C#CCNC(=O)C1CCN(CCSC2CCCCC2)CC1	ZINC000491043422	429321719	/nfs/dbraw/zinc/32/17/19/429321719.db2.gz	BIKBBBXUDPDZAO-UHFFFAOYSA-N	0	3	308.491	2.514	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)[nH]c1C)C(C)C	ZINC000448977402	429322072	/nfs/dbraw/zinc/32/20/72/429322072.db2.gz	YNAPJUBCACRUBM-QGZVFWFLSA-N	0	3	314.433	2.623	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000448982436	429322258	/nfs/dbraw/zinc/32/22/58/429322258.db2.gz	KKNSNELVFDCGPX-BEFAXECRSA-N	0	3	311.429	2.659	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=O)cc1NC1CCC(C)(C#N)CC1	ZINC000449056673	429322861	/nfs/dbraw/zinc/32/28/61/429322861.db2.gz	RPLDEJAENWMQJF-UHFFFAOYSA-N	0	3	314.433	2.731	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1Cl	ZINC000365477962	429326047	/nfs/dbraw/zinc/32/60/47/429326047.db2.gz	PFXFMVFJVIKLIP-LRDDRELGSA-N	0	3	324.783	2.778	20	30		DFEDHN
C[C@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN(C2CCC2)C1	ZINC000491140644	429328415	/nfs/dbraw/zinc/32/84/15/429328415.db2.gz	HGUZVCYGQXRDST-OAHLLOKOSA-N	0	3	320.481	2.832	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2c(C)cc(Cl)cc2C)CC1	ZINC000491202782	429333341	/nfs/dbraw/zinc/33/33/41/429333341.db2.gz	PWOJVQNQCPWDGI-UHFFFAOYSA-N	0	3	318.848	2.918	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H](C)c2ccccc2Cl)CC1	ZINC000491203475	429333790	/nfs/dbraw/zinc/33/37/90/429333790.db2.gz	WNIMMEJIGWZAHT-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2cc(C)nc3ccccc32)CC1	ZINC000491191307	429334199	/nfs/dbraw/zinc/33/41/99/429334199.db2.gz	CDOSGRVCAWVFFE-UHFFFAOYSA-N	0	3	307.397	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1	ZINC000425450055	429299519	/nfs/dbraw/zinc/29/95/19/429299519.db2.gz	KOJAHHGINGDADO-DOTOQJQBSA-N	0	3	305.466	2.905	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000490714191	429302161	/nfs/dbraw/zinc/30/21/61/429302161.db2.gz	NOQZTKAJNFJJER-ZBFHGGJFSA-N	0	3	319.474	2.796	20	30		DFEDHN
N#Cc1csc(CN[C@@H](COC(N)=O)Cc2ccccc2)c1	ZINC000495989528	429302285	/nfs/dbraw/zinc/30/22/85/429302285.db2.gz	KCZOUQVMSSWBMC-CQSZACIVSA-N	0	3	315.398	2.830	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425468940	429302859	/nfs/dbraw/zinc/30/28/59/429302859.db2.gz	DVZOOSNKYKBTNO-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCOCCC#N	ZINC000425469663	429303873	/nfs/dbraw/zinc/30/38/73/429303873.db2.gz	FSPHJEFMMNVMSS-HNNXBMFYSA-N	0	3	310.438	2.893	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425468942	429304196	/nfs/dbraw/zinc/30/41/96/429304196.db2.gz	DVZOOSNKYKBTNO-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000447587284	429304937	/nfs/dbraw/zinc/30/49/37/429304937.db2.gz	QUIOVEFZQSEJEC-KGLIPLIRSA-N	0	3	321.417	2.916	20	30		DFEDHN
C#CCN(CC)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000490852015	429309443	/nfs/dbraw/zinc/30/94/43/429309443.db2.gz	JRCVLFIUWNBWFM-UHFFFAOYSA-N	0	3	324.428	2.773	20	30		DFEDHN
CCOC(=O)N1CCC([C@@H](C)NCC#Cc2ccccc2)CC1	ZINC000496128130	429309840	/nfs/dbraw/zinc/30/98/40/429309840.db2.gz	ZFMYHRMPJCTFAH-MRXNPFEDSA-N	0	3	314.429	2.885	20	30		DFEDHN
COCC(C)(C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1	ZINC000425509217	429313275	/nfs/dbraw/zinc/31/32/75/429313275.db2.gz	SUTRXBOOMXYOPJ-OAHLLOKOSA-N	0	3	301.434	2.662	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000507267377	429347176	/nfs/dbraw/zinc/34/71/76/429347176.db2.gz	LURMONRLXMCJPF-ISTVAULSSA-N	0	3	323.849	2.880	20	30		DFEDHN
C[C@H]1CC2(CCC2)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000365419642	429315118	/nfs/dbraw/zinc/31/51/18/429315118.db2.gz	BMPNTTRPUZXEKV-WMLDXEAASA-N	0	3	309.413	2.928	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000448777034	429317518	/nfs/dbraw/zinc/31/75/18/429317518.db2.gz	ZTFHSADXBDBKPL-ZBFHGGJFSA-N	0	3	322.412	2.760	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000457078272	429392357	/nfs/dbraw/zinc/39/23/57/429392357.db2.gz	AQLNGUQDKWULQQ-KRWDZBQOSA-N	0	3	311.429	2.531	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000491693819	429392822	/nfs/dbraw/zinc/39/28/22/429392822.db2.gz	DQHYDESIQASYAQ-KRWDZBQOSA-N	0	3	313.445	2.752	20	30		DFEDHN
C#C[C@@H](NCc1ccc(OCCOC)c(OC)c1)C(C)(C)C	ZINC000491694059	429393183	/nfs/dbraw/zinc/39/31/83/429393183.db2.gz	ABBDGAUACQXLQP-QGZVFWFLSA-N	0	3	305.418	2.858	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000491704539	429393723	/nfs/dbraw/zinc/39/37/23/429393723.db2.gz	HSUOOBLPJGJHQM-KGLIPLIRSA-N	0	3	305.447	2.596	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000457088498	429396665	/nfs/dbraw/zinc/39/66/65/429396665.db2.gz	KNLLTXPLGQQWOL-KRWDZBQOSA-N	0	3	311.429	2.531	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)CC1	ZINC000491744332	429400340	/nfs/dbraw/zinc/40/03/40/429400340.db2.gz	LUCOSGQLAWKZIM-UHFFFAOYSA-N	0	3	324.424	2.953	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000491748047	429401888	/nfs/dbraw/zinc/40/18/88/429401888.db2.gz	XGTUFRKGYHTRHU-NXHRZFHOSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1	ZINC000457119380	429408322	/nfs/dbraw/zinc/40/83/22/429408322.db2.gz	NMFQDDMGRUBVKE-OAHLLOKOSA-N	0	3	302.418	2.806	20	30		DFEDHN
Cc1cc(CN2C[C@H]3C[C@@H](C2)Cn2c3cccc2=O)ccc1C#N	ZINC000449412047	429409409	/nfs/dbraw/zinc/40/94/09/429409409.db2.gz	MCLVXFYJHYJAJI-FUHWJXTLSA-N	0	3	319.408	2.648	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H](c2nccn2C)C1	ZINC000365621576	429353201	/nfs/dbraw/zinc/35/32/01/429353201.db2.gz	IGBDXAGLMQPJAD-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
C=C(CC)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000456828381	429353825	/nfs/dbraw/zinc/35/38/25/429353825.db2.gz	LLBPHEYKYWTYIV-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1	ZINC000491407874	429358197	/nfs/dbraw/zinc/35/81/97/429358197.db2.gz	WVXGDXRMRUNGSK-GXTWGEPZSA-N	0	3	323.437	2.736	20	30		DFEDHN
CC(C)n1nc2c(cc1=O)CN(CCCC(C)(C)C#N)CC2	ZINC000365727211	429363898	/nfs/dbraw/zinc/36/38/98/429363898.db2.gz	YFMOCXXDNPSHTO-UHFFFAOYSA-N	0	3	302.422	2.512	20	30		DFEDHN
N#Cc1ccc(OCCCN2CC[C@@H](Oc3ccncc3)C2)cc1	ZINC000365736858	429365218	/nfs/dbraw/zinc/36/52/18/429365218.db2.gz	OMEIQFDYMVERLW-LJQANCHMSA-N	0	3	323.396	2.875	20	30		DFEDHN
C#C[C@H](NC[C@@H](O)CO[C@@H]1CCCc2ccccc21)C(C)C	ZINC000491483396	429365265	/nfs/dbraw/zinc/36/52/65/429365265.db2.gz	BQCXQHMITPAPNX-NZSAHSFTSA-N	0	3	301.430	2.689	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccccc2OCC)CC1	ZINC000491544244	429372530	/nfs/dbraw/zinc/37/25/30/429372530.db2.gz	FBMXBGMONGFQPC-KTKRTIGZSA-N	0	3	314.429	2.865	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000515003430	429372909	/nfs/dbraw/zinc/37/29/09/429372909.db2.gz	PZBJKYRJEBQYGA-OALUTQOASA-N	0	3	323.440	2.926	20	30		DFEDHN
Cc1cccnc1C1(CNCc2cnc3ccc(C#N)cn23)CC1	ZINC000365831171	429381474	/nfs/dbraw/zinc/38/14/74/429381474.db2.gz	MROKIBMKVAFOMK-UHFFFAOYSA-N	0	3	317.396	2.731	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(Br)cc2c1OCC2	ZINC000449523761	429444413	/nfs/dbraw/zinc/44/44/13/429444413.db2.gz	YGXTZDWUFOXDRK-KGLIPLIRSA-N	0	3	324.218	2.817	20	30		DFEDHN
N#Cc1ncn(C2CCN(c3ccnc4ccccc43)CC2)n1	ZINC000366488926	429462419	/nfs/dbraw/zinc/46/24/19/429462419.db2.gz	GPECIGAJFFNQPR-UHFFFAOYSA-N	0	3	304.357	2.539	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1	ZINC000457456241	429467623	/nfs/dbraw/zinc/46/76/23/429467623.db2.gz	BCKLEJZFUFCGHI-MWDXBVQZSA-N	0	3	308.466	2.594	20	30		DFEDHN
Cc1cc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)ncc1C#N	ZINC000457465574	429470199	/nfs/dbraw/zinc/47/01/99/429470199.db2.gz	LHKHOGQPPKQYLA-ZDUSSCGKSA-N	0	3	314.433	2.502	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2cccc(Cl)c2)CC1	ZINC000491937927	429438040	/nfs/dbraw/zinc/43/80/40/429438040.db2.gz	KQNHMLZRXAQYRG-FPLPWBNLSA-N	0	3	316.832	2.957	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C#N)C[C@@H]2C)CC1	ZINC000449876760	429529475	/nfs/dbraw/zinc/52/94/75/429529475.db2.gz	MHYUGCUVAIKQTL-KHYOSLBOSA-N	0	3	311.429	2.878	20	30		DFEDHN
CCCN(CC#N)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000366570894	429479312	/nfs/dbraw/zinc/47/93/12/429479312.db2.gz	PVSPCEHYCYHZCV-VXGBXAGGSA-N	0	3	319.371	2.657	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000366664351	429490488	/nfs/dbraw/zinc/49/04/88/429490488.db2.gz	SCWCBLDAIQUYFQ-DJIMGWMZSA-N	0	3	300.402	2.812	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000449752688	429498214	/nfs/dbraw/zinc/49/82/14/429498214.db2.gz	GDCNZMLYVYDJAL-RTBURBONSA-N	0	3	320.392	2.947	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CCC)[C@H](CC)c1ccccc1	ZINC000519907450	429498294	/nfs/dbraw/zinc/49/82/94/429498294.db2.gz	ZDCLKZZQWUOKTF-MRXNPFEDSA-N	0	3	317.433	2.862	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000449758714	429499781	/nfs/dbraw/zinc/49/97/81/429499781.db2.gz	WKFLLURCGBGFGN-RTBURBONSA-N	0	3	320.392	2.947	20	30		DFEDHN
Cc1cc(C(=O)NC[C@@H]2CCCCN2CC(C)C)ncc1C#N	ZINC000457665166	429503197	/nfs/dbraw/zinc/50/31/97/429503197.db2.gz	PPCQFISXKUXKGH-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)c2cc(C)c(C#N)cn2)c1	ZINC000457670455	429503961	/nfs/dbraw/zinc/50/39/61/429503961.db2.gz	NTWIDYLIWLPZGE-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc(C3CC3)nc(C)c2OC)CC1	ZINC000521370463	429548356	/nfs/dbraw/zinc/54/83/56/429548356.db2.gz	URPJGGNEYZIXFT-UHFFFAOYSA-N	0	3	316.449	3.123	20	30		DFEDHN
C#C[C@H](NC(=O)NC1CCN(Cc2cccs2)CC1)C(C)C	ZINC000366990871	429555175	/nfs/dbraw/zinc/55/51/75/429555175.db2.gz	QEYCDYODDLDUFY-INIZCTEOSA-N	0	3	319.474	2.670	20	30		DFEDHN
CCCN(CC(C)(C)O)C(=O)C(C#N)CCc1ccccc1	ZINC000450086429	429566553	/nfs/dbraw/zinc/56/65/53/429566553.db2.gz	MZVUFRGVNLGGSE-INIZCTEOSA-N	0	3	302.418	2.768	20	30		DFEDHN
Cc1cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)cn1	ZINC000521229124	429542942	/nfs/dbraw/zinc/54/29/42/429542942.db2.gz	WTJCVUNYVRVVIB-YJBOKZPZSA-N	0	3	306.413	2.931	20	30		DFEDHN
CC(C)COC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000367295149	429614930	/nfs/dbraw/zinc/61/49/30/429614930.db2.gz	IDSGUGNBYYQQHD-LJQANCHMSA-N	0	3	314.429	2.681	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)CC1	ZINC000458339693	429623806	/nfs/dbraw/zinc/62/38/06/429623806.db2.gz	TWQRDKVYRKOEMY-SJORKVTESA-N	0	3	307.482	2.959	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000458439455	429638929	/nfs/dbraw/zinc/63/89/29/429638929.db2.gz	ULEFTSHXRXXINE-GOEBONIOSA-N	0	3	319.474	2.796	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2nccc(C#N)n2)CC1	ZINC000450338794	429603662	/nfs/dbraw/zinc/60/36/62/429603662.db2.gz	MJMIIIYIAQINIK-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2cc(C#N)ccc2Br)CCN1C	ZINC000492749534	429607060	/nfs/dbraw/zinc/60/70/60/429607060.db2.gz	OCHPAUOCEKAYNE-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCCOc1cccc(Cl)c1	ZINC000525271616	429656236	/nfs/dbraw/zinc/65/62/36/429656236.db2.gz	QEYMLMQDEPIYPH-UHFFFAOYSA-N	0	3	310.825	2.733	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@H]3CCC[C@H](C)C3)CC2)c1C#N	ZINC000471825429	429713364	/nfs/dbraw/zinc/71/33/64/429713364.db2.gz	VXTZYFFPJNQXMY-HOCLYGCPSA-N	0	3	315.465	2.549	20	30		DFEDHN
C=CCCOCCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000479510665	429719004	/nfs/dbraw/zinc/71/90/04/429719004.db2.gz	YFMSXKFLVCGAQQ-MRXNPFEDSA-N	0	3	310.482	2.938	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCCC[C@@H]1C	ZINC000479336598	429719458	/nfs/dbraw/zinc/71/94/58/429719458.db2.gz	AAULDQYPAOBWGN-LSDHHAIUSA-N	0	3	308.470	2.878	20	30		DFEDHN
C=C(CNC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1	ZINC000479370355	429719837	/nfs/dbraw/zinc/71/98/37/429719837.db2.gz	CBTYIYLPFQIIQW-INIZCTEOSA-N	0	3	301.434	2.873	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC[C@H](C)C1	ZINC000479338376	429720030	/nfs/dbraw/zinc/72/00/30/429720030.db2.gz	ACGQEORTLOMODD-GJZGRUSLSA-N	0	3	308.470	2.736	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2ccc(Cl)c(C#N)c2)CCC1	ZINC000527114027	429724502	/nfs/dbraw/zinc/72/45/02/429724502.db2.gz	WOEIDNKVBIYNFG-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCNC(=O)CC1	ZINC000450985048	429744804	/nfs/dbraw/zinc/74/48/04/429744804.db2.gz	ZMXGRWBBXVFLNO-INIZCTEOSA-N	0	3	318.465	2.758	20	30		DFEDHN
O[C@@H]1C[C@H]([C@H]2CCCOC2)N(CC#Cc2ccc(Cl)cc2)C1	ZINC000451293269	429804344	/nfs/dbraw/zinc/80/43/44/429804344.db2.gz	AYVVGRGCRXFNQU-CGTJXYLNSA-N	0	3	319.832	2.553	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(C2CC2)c1	ZINC000451108250	429769798	/nfs/dbraw/zinc/76/97/98/429769798.db2.gz	AGXKEPLBSSJQRB-OLZOCXBDSA-N	0	3	315.417	2.615	20	30		DFEDHN
COCCN(CCN1CCC(C)CC1)Cc1ccc(C#N)cc1	ZINC000493534353	429781137	/nfs/dbraw/zinc/78/11/37/429781137.db2.gz	YAPLIXYXLFOYDR-UHFFFAOYSA-N	0	3	315.461	2.739	20	30		DFEDHN
C[C@]1(CNCc2cc(C#N)cs2)COc2ccccc2O1	ZINC000527734548	429789513	/nfs/dbraw/zinc/78/95/13/429789513.db2.gz	KGOCAENNOQUWNP-INIZCTEOSA-N	0	3	300.383	2.939	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1	ZINC000494374685	429869782	/nfs/dbraw/zinc/86/97/82/429869782.db2.gz	MHOUBCKOJTZRDS-JJRVBVJISA-N	0	3	312.417	2.752	20	30		DFEDHN
C=CCC1(C(=O)NCCN2CCN(C)C(C)(C)C2)CCCCC1	ZINC000451458334	429829490	/nfs/dbraw/zinc/82/94/90/429829490.db2.gz	WCVPLZDSZKUKAW-UHFFFAOYSA-N	0	3	321.509	2.655	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000494351818	429869094	/nfs/dbraw/zinc/86/90/94/429869094.db2.gz	SSWIVAJDLAFGLT-ROUUACIJSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](OC)[C@H](C)C1	ZINC000451542724	429848048	/nfs/dbraw/zinc/84/80/48/429848048.db2.gz	KHCFWDUMBAIWQR-NXHRZFHOSA-N	0	3	319.445	2.512	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC(F)(F)F)nc1	ZINC000451669351	429869268	/nfs/dbraw/zinc/86/92/68/429869268.db2.gz	AHHGOZBKGOXHFC-OLZOCXBDSA-N	0	3	316.323	2.846	20	30		DFEDHN
N#Cc1ccccc1Cn1cccc1CN1CC([C@H]2CCOC2)C1	ZINC000368441506	429849627	/nfs/dbraw/zinc/84/96/27/429849627.db2.gz	LMMCXAFNQCNZGH-SFHVURJKSA-N	0	3	321.424	2.876	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCCO[C@H]3CCC[C@H]32)c1	ZINC000368452269	429851247	/nfs/dbraw/zinc/85/12/47/429851247.db2.gz	ZIFCCKFAIADTCE-MSOLQXFVSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC#CCCN1CCc2cc(OC)c(OC)c(OC)c2CC1	ZINC000368487849	429856456	/nfs/dbraw/zinc/85/64/56/429856456.db2.gz	WVLCWJOYPSSRFU-UHFFFAOYSA-N	0	3	303.402	2.526	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1	ZINC000451595096	429859871	/nfs/dbraw/zinc/85/98/71/429859871.db2.gz	CEOPEYYIGZPQLW-SPUZQDLCSA-N	0	3	316.445	2.966	20	30		DFEDHN
C=CCC1(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CCCCC1	ZINC000451604101	429860842	/nfs/dbraw/zinc/86/08/42/429860842.db2.gz	FZSPCNMIBVQDSA-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
N#CCCCCN(CCO)Cc1cc(Br)cs1	ZINC000494284770	429864999	/nfs/dbraw/zinc/86/49/99/429864999.db2.gz	ITZVYPDHYLOJFC-UHFFFAOYSA-N	0	3	317.252	2.999	20	30		DFEDHN
N#CCCOCCN[C@@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451307220	429808460	/nfs/dbraw/zinc/80/84/60/429808460.db2.gz	OCLLTRXJFHCSJM-AWEZNQCLSA-N	0	3	316.323	2.649	20	30		DFEDHN
Cn1cc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1C#N	ZINC000368226456	429811284	/nfs/dbraw/zinc/81/12/84/429811284.db2.gz	KOSHWFHABSHPTP-IBGZPJMESA-N	0	3	307.397	2.866	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nccnc2O[C@H](C)CC)CC1	ZINC000527878078	429813388	/nfs/dbraw/zinc/81/33/88/429813388.db2.gz	BRCPHOQOUZNLQH-CQSZACIVSA-N	0	3	304.438	3.106	20	30		DFEDHN
CC1(C)CC[C@H](N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1	ZINC000368633314	429880049	/nfs/dbraw/zinc/88/00/49/429880049.db2.gz	QPZBZYVBIHSRIV-CKFHNAJUSA-N	0	3	309.413	2.911	20	30		DFEDHN
COc1ccccc1[C@H]1CCCN1C[C@@H](O)CC1(C#N)CC1	ZINC000528371304	429880676	/nfs/dbraw/zinc/88/06/76/429880676.db2.gz	HLJNEQUCERXUPO-GOEBONIOSA-N	0	3	300.402	2.887	20	30		DFEDHN
N#CCSCCCN1CCC(c2noc(C3CC3)n2)CC1	ZINC000368862039	429899474	/nfs/dbraw/zinc/89/94/74/429899474.db2.gz	CRCSEESGDZDTRU-UHFFFAOYSA-N	0	3	306.435	2.773	20	30		DFEDHN
N#Cc1ccc(C2=CCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)cc1	ZINC000368893211	429900831	/nfs/dbraw/zinc/90/08/31/429900831.db2.gz	GHJXSBVITFEXQR-QGZVFWFLSA-N	0	3	308.381	2.743	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1C[C@@H](c2cccc(OC)c2)C(C)(C)C1	ZINC000528621162	429902405	/nfs/dbraw/zinc/90/24/05/429902405.db2.gz	OPNQWCDUYFIYKP-PBHICJAKSA-N	0	3	316.445	2.811	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccnc2)CC1	ZINC000369078943	429911112	/nfs/dbraw/zinc/91/11/12/429911112.db2.gz	ZDTBIRNPPSDIFP-QGZVFWFLSA-N	0	3	314.433	2.579	20	30		DFEDHN
C[C@H]1CC(F)(F)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000528768915	429914483	/nfs/dbraw/zinc/91/44/83/429914483.db2.gz	PIUVWLSJVQIXPO-ZFWWWQNUSA-N	0	3	324.371	2.612	20	30		DFEDHN
CCCN1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000369258095	429921604	/nfs/dbraw/zinc/92/16/04/429921604.db2.gz	UUXMELBCGVNNHG-UHFFFAOYSA-N	0	3	300.406	2.702	20	30		DFEDHN
C#Cc1cccc(NC(=O)c2cnn(CCN3CCCCC3)c2)c1	ZINC000369322247	429923668	/nfs/dbraw/zinc/92/36/68/429923668.db2.gz	BNFZXSWVFCWYKD-UHFFFAOYSA-N	0	3	322.412	2.603	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1	ZINC000451701769	429875007	/nfs/dbraw/zinc/87/50/07/429875007.db2.gz	RGKJOIWBHIQDHV-VYDXJSESSA-N	0	3	300.402	2.550	20	30		DFEDHN
CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1(C#N)CCC1	ZINC000558098402	429962488	/nfs/dbraw/zinc/96/24/88/429962488.db2.gz	KJADBPXBSYNTRC-QGZVFWFLSA-N	0	3	313.445	2.810	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1C[C@@H]1C(F)F)C(C)C	ZINC000558199566	429964893	/nfs/dbraw/zinc/96/48/93/429964893.db2.gz	YWWWQULAMCZZEL-IHRRRGAJSA-N	0	3	315.408	2.638	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637024686	429969318	/nfs/dbraw/zinc/96/93/18/429969318.db2.gz	UNINEFCXPDXLIL-VVLHAWIVSA-N	0	3	323.481	2.672	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC[C@H]1C(=O)N1CCSCC1	ZINC000369359690	429930102	/nfs/dbraw/zinc/93/01/02/429930102.db2.gz	UDHKTCNBPXXTIP-HNNXBMFYSA-N	0	3	323.506	2.746	20	30		DFEDHN
Cc1ccc2occ(CC(=O)C(C#N)C(=O)N3CCCC3)c2c1	ZINC000528913941	429933367	/nfs/dbraw/zinc/93/33/67/429933367.db2.gz	JVIMYNKBFJLOQM-OAHLLOKOSA-N	0	3	310.353	2.615	20	30		DFEDHN
CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccc(F)cc1	ZINC000528918112	429934532	/nfs/dbraw/zinc/93/45/32/429934532.db2.gz	OAGQKEQYWDTFOY-WMLDXEAASA-N	0	3	313.332	2.797	20	30		DFEDHN
N#Cc1ncn(C2CCN([C@@H]3CCc4ccc(F)cc43)CC2)n1	ZINC000369389570	429937058	/nfs/dbraw/zinc/93/70/58/429937058.db2.gz	QCWTWERVODRYQU-MRXNPFEDSA-N	0	3	311.364	2.613	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](CCNC(C)=O)C1	ZINC000557520758	429942917	/nfs/dbraw/zinc/94/29/17/429942917.db2.gz	GKPUMBTZJSUBPW-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000369450723	429947982	/nfs/dbraw/zinc/94/79/82/429947982.db2.gz	FXPAOCKVPWGVAB-ZWKOTPCHSA-N	0	3	323.440	2.941	20	30		DFEDHN
Cc1nocc1CNC1CCC(Oc2ncccc2C#N)CC1	ZINC000560063461	430019696	/nfs/dbraw/zinc/01/96/96/430019696.db2.gz	OHGWWRVBAVNCHF-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000561426795	430090269	/nfs/dbraw/zinc/09/02/69/430090269.db2.gz	SHOOHXDAWIWSSV-AWEZNQCLSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC(C)O[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529971415	430091573	/nfs/dbraw/zinc/09/15/73/430091573.db2.gz	VJWCOANRRANIJZ-JZXOWHBKSA-N	0	3	300.402	2.831	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000637715708	430114509	/nfs/dbraw/zinc/11/45/09/430114509.db2.gz	CKJUCDOKWHBFLU-KRWDZBQOSA-N	0	3	301.434	2.787	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@@H]2CCN2C2CCCC2)CC12CCCC2	ZINC000530022076	430096097	/nfs/dbraw/zinc/09/60/97/430096097.db2.gz	HUDQHLHKFAVNFL-YJBOKZPZSA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1	ZINC000637662397	430101628	/nfs/dbraw/zinc/10/16/28/430101628.db2.gz	USLHUACDCGRSDE-AWEZNQCLSA-N	0	3	317.437	2.580	20	30		DFEDHN
C[C@@](C#N)(NC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1	ZINC000562096341	430108641	/nfs/dbraw/zinc/10/86/41/430108641.db2.gz	RBVGGKDBPVVJNB-AEFFLSMTSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cc[nH]n1	ZINC000574625731	430051056	/nfs/dbraw/zinc/05/10/56/430051056.db2.gz	VYIAYPWQXZORMF-WBVHZDCISA-N	0	3	308.385	2.846	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H](c3ccccc3)C3CC3)cnc12	ZINC000561043659	430072971	/nfs/dbraw/zinc/07/29/71/430072971.db2.gz	QBFJEEQGSQQHMO-QGZVFWFLSA-N	0	3	303.369	2.842	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@]2(C)CO)ccc1OC	ZINC000530411785	430114201	/nfs/dbraw/zinc/11/42/01/430114201.db2.gz	RHROJKHECGAYCX-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@H]2CCCC[C@H]21	ZINC000532098081	430150268	/nfs/dbraw/zinc/15/02/68/430150268.db2.gz	HFBLYADXWURCBZ-YYIAUSFCSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)cn1)c1ccccn1	ZINC000562595881	430151309	/nfs/dbraw/zinc/15/13/09/430151309.db2.gz	QNZIOFURSAVUKO-LLVKDONJSA-N	0	3	321.258	2.908	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@@H](C)S1	ZINC000532969243	430157109	/nfs/dbraw/zinc/15/71/09/430157109.db2.gz	OJXWZIZHHCTUCT-GHMZBOCLSA-N	0	3	309.460	2.774	20	30		DFEDHN
C=CCCCN(C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1	ZINC000532978503	430157362	/nfs/dbraw/zinc/15/73/62/430157362.db2.gz	GCNNFQMVDQVWNG-UHFFFAOYSA-N	0	3	303.406	2.850	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)cc2NC)CC1	ZINC000577884988	430117706	/nfs/dbraw/zinc/11/77/06/430117706.db2.gz	ZWKWBUGGGAGDPW-UHFFFAOYSA-N	0	3	307.825	2.762	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccc(C)cc2)C1	ZINC000577904407	430117755	/nfs/dbraw/zinc/11/77/55/430117755.db2.gz	NYMVQZGXUVKHRY-SJLPKXTDSA-N	0	3	300.446	2.940	20	30		DFEDHN
COc1cc(CN(Cc2ccccc2)C[C@@H](C)O)ccc1C#N	ZINC000562462984	430135511	/nfs/dbraw/zinc/13/55/11/430135511.db2.gz	DAJVYYPFSIWEFK-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
COC(=O)[C@H](C)Oc1ccc(CN2CCC(CC#N)CC2)cc1	ZINC000540991106	430183365	/nfs/dbraw/zinc/18/33/65/430183365.db2.gz	CWSFQBDAVPHVOJ-AWEZNQCLSA-N	0	3	316.401	2.753	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543456649	430249541	/nfs/dbraw/zinc/24/95/41/430249541.db2.gz	SBNGACQALOLLOU-ABAIWWIYSA-N	0	3	305.809	2.670	20	30		DFEDHN
C[C@H](NCC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1	ZINC000543468067	430249993	/nfs/dbraw/zinc/24/99/93/430249993.db2.gz	ICZZONDJAUKVHL-CVEARBPZSA-N	0	3	321.424	2.956	20	30		DFEDHN
C=CCN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1	ZINC000567583813	430285683	/nfs/dbraw/zinc/28/56/83/430285683.db2.gz	PSKSGYODDBLUBB-UHFFFAOYSA-N	0	3	316.405	2.931	20	30		DFEDHN
CC(C)(CO)[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000566463801	430261305	/nfs/dbraw/zinc/26/13/05/430261305.db2.gz	KVDHNTJIPXKJHK-DLBZAZTESA-N	0	3	314.429	2.672	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@]3(CCN(C)C3)C2)c1C	ZINC000292140110	335088450	/nfs/dbraw/zinc/08/84/50/335088450.db2.gz	MJLYZWYURXIYKZ-IBGZPJMESA-N	0	3	315.461	2.501	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCc3occc32)cc1	ZINC000581721105	430233594	/nfs/dbraw/zinc/23/35/94/430233594.db2.gz	FVYMCZQBTPXQEE-WMLDXEAASA-N	0	3	312.369	2.558	20	30		DFEDHN
CCSc1ccc([C@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000566107925	430240521	/nfs/dbraw/zinc/24/05/21/430240521.db2.gz	SAONDKCUUMGWAJ-GOEBONIOSA-N	0	3	321.490	2.656	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CNCc2ccc(C#N)s2)c1	ZINC000566119006	430241341	/nfs/dbraw/zinc/24/13/41/430241341.db2.gz	NJAOMTQVMYQAMF-CQSZACIVSA-N	0	3	316.426	2.766	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCCC[C@H]1C	ZINC000567745690	430287373	/nfs/dbraw/zinc/28/73/73/430287373.db2.gz	IQXAYAIQTGHHLE-CVEARBPZSA-N	0	3	320.481	2.975	20	30		DFEDHN
C[C@@H](CCNCc1cnc2c(C#N)cnn2c1)c1ccccc1	ZINC000582434890	430301893	/nfs/dbraw/zinc/30/18/93/430301893.db2.gz	OBUNTRUDILNFNK-AWEZNQCLSA-N	0	3	305.385	2.884	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000289949617	277572990	/nfs/dbraw/zinc/57/29/90/277572990.db2.gz	WIVBOXPSDYBRTQ-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
Cc1csc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1C#N	ZINC000583031775	430357410	/nfs/dbraw/zinc/35/74/10/430357410.db2.gz	BXOVWWAYXUXGMM-NEPJUHHUSA-N	0	3	306.435	2.875	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]c2nccnc12	ZINC000583193588	430372945	/nfs/dbraw/zinc/37/29/45/430372945.db2.gz	CYNGNNZYMQZKAB-MRXNPFEDSA-N	0	3	303.369	2.948	20	30		DFEDHN
Cc1csc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1C#N	ZINC000583241743	430376230	/nfs/dbraw/zinc/37/62/30/430376230.db2.gz	UOWPELBSMKXHGQ-RYUDHWBXSA-N	0	3	304.419	2.629	20	30		DFEDHN
Cc1c[nH]c(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000583446003	430396339	/nfs/dbraw/zinc/39/63/39/430396339.db2.gz	KCPNJSFODBJNNP-HNNXBMFYSA-N	0	3	310.401	2.842	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000635898272	430408621	/nfs/dbraw/zinc/40/86/21/430408621.db2.gz	YLWOTDCSTTXDJK-WBVHZDCISA-N	0	3	300.402	2.607	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1ccc(C#N)c(Cl)c1	ZINC000584097683	430459516	/nfs/dbraw/zinc/45/95/16/430459516.db2.gz	HCQANILMSDQTLD-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cn(-c2ccccc2Cl)nc1C	ZINC000641768166	430466451	/nfs/dbraw/zinc/46/64/51/430466451.db2.gz	XZNYMVBZZQEMGA-HNNXBMFYSA-N	0	3	317.820	2.698	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1	ZINC000641769649	430466573	/nfs/dbraw/zinc/46/65/73/430466573.db2.gz	XJUAOQMYPSASQG-ZDUSSCGKSA-N	0	3	311.809	2.611	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H](C)[C@@H](c2ccccc2C)N(C)C)n1	ZINC000596232557	430511836	/nfs/dbraw/zinc/51/18/36/430511836.db2.gz	VTRBCGXPOJXSFT-KUHUBIRLSA-N	0	3	323.444	3.322	20	30		DFEDHN
C=CC[C@@H]1N(Cc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C	ZINC000639124700	430533709	/nfs/dbraw/zinc/53/37/09/430533709.db2.gz	LGYXDROSARDGKW-INIZCTEOSA-N	0	3	322.474	2.901	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)COc1ccccc1	ZINC000552970098	430605203	/nfs/dbraw/zinc/60/52/03/430605203.db2.gz	IGDXRMRQLVUXOU-PXNSSMCTSA-N	0	3	322.408	2.965	20	30		DFEDHN
C[C@@]12CN(CC(=O)Nc3cccc(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1	ZINC000556306827	430683259	/nfs/dbraw/zinc/68/32/59/430683259.db2.gz	GNXVDSMEBHVULR-YEWFCNIMSA-N	0	3	307.397	2.641	20	30		DFEDHN
CS[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1N1CCCC1	ZINC000274653611	278168576	/nfs/dbraw/zinc/16/85/76/278168576.db2.gz	HOJIJNZAOCQPRF-KBPBESRZSA-N	0	3	322.865	2.623	20	30		DFEDHN
NC(=O)[C@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184809766	335088891	/nfs/dbraw/zinc/08/88/91/335088891.db2.gz	HECSNNJLKWCUGB-LSDHHAIUSA-N	0	3	324.346	2.691	20	30		DFEDHN
Cc1ccc([C@H](CNc2nc(C)cc(C#N)n2)N2CCCC2)cc1	ZINC000572866245	430697595	/nfs/dbraw/zinc/69/75/95/430697595.db2.gz	ZAKMIERSNXJTSN-SFHVURJKSA-N	0	3	321.428	3.214	20	30		DFEDHN
C=C(CNC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1	ZINC000664899233	430773921	/nfs/dbraw/zinc/77/39/21/430773921.db2.gz	RXFIVKXLYHUDTK-MRXNPFEDSA-N	0	3	301.434	2.872	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN[C@H]1CSC1(C)C	ZINC000644641881	430778563	/nfs/dbraw/zinc/77/85/63/430778563.db2.gz	RRYUXWVNHZGPRV-ZBFHGGJFSA-N	0	3	307.459	2.638	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2O[C@@H](C)C3)nc(C)n1	ZINC000651596182	430827056	/nfs/dbraw/zinc/82/70/56/430827056.db2.gz	LQIULGDCELZFJV-NHYWBVRUSA-N	0	3	307.353	2.907	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O	ZINC000648464088	430796620	/nfs/dbraw/zinc/79/66/20/430796620.db2.gz	AQCYLLMOTJRVFS-DZKIICNBSA-N	0	3	304.438	2.638	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1	ZINC000651843016	430893842	/nfs/dbraw/zinc/89/38/42/430893842.db2.gz	RDDBBZNTDSQKND-QLFBSQMISA-N	0	3	321.442	2.556	20	30		DFEDHN
C=CCN(C(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1	ZINC000659039191	430949499	/nfs/dbraw/zinc/94/94/99/430949499.db2.gz	ZKEXLKGITAZBIE-INIZCTEOSA-N	0	3	301.390	2.530	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CCC(OC)CC1	ZINC000665391785	430919618	/nfs/dbraw/zinc/91/96/18/430919618.db2.gz	KHNJANXPMYONLE-WBVHZDCISA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(F)cc1	ZINC000662079652	430950137	/nfs/dbraw/zinc/95/01/37/430950137.db2.gz	IEPYDRNBZDWUSQ-CALCHBBNSA-N	0	3	302.393	2.967	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C(C)(C)CC)CC1	ZINC000655269789	430945161	/nfs/dbraw/zinc/94/51/61/430945161.db2.gz	VJCJJSCRRDRTHV-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCCCN(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659034060	430945847	/nfs/dbraw/zinc/94/58/47/430945847.db2.gz	LHDYHMZCKHYUAI-MRXNPFEDSA-N	0	3	303.406	2.777	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1	ZINC000659034985	430946704	/nfs/dbraw/zinc/94/67/04/430946704.db2.gz	SKEQTSBIXOVFAZ-QGZVFWFLSA-N	0	3	315.417	2.777	20	30		DFEDHN
C=C[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1	ZINC000659260192	431002809	/nfs/dbraw/zinc/00/28/09/431002809.db2.gz	FMYZYQJREXVCQS-BEFAXECRSA-N	0	3	324.424	2.826	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)C1	ZINC000665702343	431009802	/nfs/dbraw/zinc/00/98/02/431009802.db2.gz	XZKWFCMVIVHMAY-SJORKVTESA-N	0	3	301.434	2.567	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1COC	ZINC000662084710	430954817	/nfs/dbraw/zinc/95/48/17/430954817.db2.gz	VLILOGHUDQGOGC-HDICACEKSA-N	0	3	314.429	2.632	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CCC)[C@@H]2CCN(C)C2)cc1	ZINC000649002233	430969538	/nfs/dbraw/zinc/96/95/38/430969538.db2.gz	AAOPHSMJUBOYBQ-MRXNPFEDSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000665945826	431072435	/nfs/dbraw/zinc/07/24/35/431072435.db2.gz	ODFNRJOAZVEBBA-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1nc(N2CC[C@@H](N3CCCC3)[C@@H]2C)c(Cl)cc1C#N	ZINC000292504996	279093192	/nfs/dbraw/zinc/09/31/92/279093192.db2.gz	GBMPPNXJXMBTMS-SWLSCSKDSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CC1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000659916830	431187468	/nfs/dbraw/zinc/18/74/68/431187468.db2.gz	ORZOOKDQBDSPLL-GOSISDBHSA-N	0	3	314.429	2.694	20	30		DFEDHN
O=C(NCc1ccccc1)[C@H]1CCN(CC#Cc2ccccc2)C1	ZINC000646057512	431160249	/nfs/dbraw/zinc/16/02/49/431160249.db2.gz	CUMXYIUEQFKBAO-FQEVSTJZSA-N	0	3	318.420	2.676	20	30		DFEDHN
O=C(NCc1ccccc1)[C@@H]1CCN(CC#Cc2ccccc2)C1	ZINC000646057513	431160383	/nfs/dbraw/zinc/16/03/83/431160383.db2.gz	CUMXYIUEQFKBAO-HXUWFJFHSA-N	0	3	318.420	2.676	20	30		DFEDHN
C=CCOCCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1	ZINC000649779188	431289712	/nfs/dbraw/zinc/28/97/12/431289712.db2.gz	JYYKOSIKZUZVNC-ZFWWWQNUSA-N	0	3	305.422	2.650	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1C	ZINC000650078380	431424842	/nfs/dbraw/zinc/42/48/42/431424842.db2.gz	YMVDNXNYYWBDFF-CVEARBPZSA-N	0	3	302.418	2.874	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N1CCC[C@@H](C)C1	ZINC000660642501	431526946	/nfs/dbraw/zinc/52/69/46/431526946.db2.gz	RQKJBWWKWCZRRR-XBVQOTNRSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@]12C[C@H]1CCC2)C(C)C	ZINC000663666950	431491605	/nfs/dbraw/zinc/49/16/05/431491605.db2.gz	BLBZYMWKSXNSKZ-JFIYKMOQSA-N	0	3	305.466	2.927	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C)C2(CCCCC2)C1	ZINC000653724922	431502917	/nfs/dbraw/zinc/50/29/17/431502917.db2.gz	SQEOENUJYYHMHX-QGZVFWFLSA-N	0	3	319.493	2.526	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@@]2(C)CC2(F)F)CC1	ZINC000660597251	431509997	/nfs/dbraw/zinc/50/99/97/431509997.db2.gz	NNBRJBJGTINMRT-HNNXBMFYSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H](C3CCC3)C2)CC1	ZINC000660705585	431558472	/nfs/dbraw/zinc/55/84/72/431558472.db2.gz	WDDNWWHOBNNNTO-INIZCTEOSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCC(C)CC1	ZINC000660843600	431626882	/nfs/dbraw/zinc/62/68/82/431626882.db2.gz	BFDLEYOHYHKBJF-ZACQAIPSSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cnn2c1CCC2)C(C)C	ZINC000657308172	431666821	/nfs/dbraw/zinc/66/68/21/431666821.db2.gz	WVRDBBASNPTCQC-SFHVURJKSA-N	0	3	302.466	2.618	20	30		DFEDHN
C=CCCn1cc(CNC[C@H](c2ccc(C)cc2)N(C)C)nn1	ZINC000657335193	431681592	/nfs/dbraw/zinc/68/15/92/431681592.db2.gz	MNYOTBSWOCPUNQ-GOSISDBHSA-N	0	3	313.449	2.555	20	30		DFEDHN
C=CCCn1cc(CNCCc2c(C)[nH]c3ccccc32)nn1	ZINC000657343410	431690538	/nfs/dbraw/zinc/69/05/38/431690538.db2.gz	NHRJGZMESMDOEF-UHFFFAOYSA-N	0	3	309.417	2.976	20	30		DFEDHN
C=CCCn1cc(CNCC(C)(C)c2ccc(OC)cc2)nn1	ZINC000657348925	431693724	/nfs/dbraw/zinc/69/37/24/431693724.db2.gz	MCBHSMSMUYYGMT-UHFFFAOYSA-N	0	3	314.433	2.930	20	30		DFEDHN
C=CCCn1cc(CNCCc2c[nH]c3cccc(C)c23)nn1	ZINC000657354106	431697823	/nfs/dbraw/zinc/69/78/23/431697823.db2.gz	PLSTXMKLOVEFLH-UHFFFAOYSA-N	0	3	309.417	2.976	20	30		DFEDHN
C=CCCn1cc(CNCCc2c[nH]c3c2cccc3C)nn1	ZINC000657375212	431708848	/nfs/dbraw/zinc/70/88/48/431708848.db2.gz	WLGIGXPRYCDTPU-UHFFFAOYSA-N	0	3	309.417	2.976	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1	ZINC000654308681	431734633	/nfs/dbraw/zinc/73/46/33/431734633.db2.gz	QAZIYWSHOFBUOI-QZTJIDSGSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCN(CCC(=O)N1CCc2sccc2C1)[C@H](C)COC	ZINC000661244940	431792419	/nfs/dbraw/zinc/79/24/19/431792419.db2.gz	XULPVZFCMMCASZ-CQSZACIVSA-N	0	3	322.474	2.546	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@@H]2CCOC2)cc1	ZINC000657483365	431778132	/nfs/dbraw/zinc/77/81/32/431778132.db2.gz	PWMXMFXRFVHZDP-KURKYZTESA-N	0	3	303.402	2.678	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCC#Cc2cccc(Cl)c2)C1	ZINC000661214749	431782233	/nfs/dbraw/zinc/78/22/33/431782233.db2.gz	AAJZTQCZOWCECN-JQHSSLGASA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCOCCCNCc1c(C(C)C)nc2sc(C)nn12	ZINC000657658307	431833696	/nfs/dbraw/zinc/83/36/96/431833696.db2.gz	RPDWZPZWXPPLEX-UHFFFAOYSA-N	0	3	308.451	2.905	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N(C)Cc2cccc(OC)c2)C1	ZINC000661379088	431836770	/nfs/dbraw/zinc/83/67/70/431836770.db2.gz	SNEGHHRYTXFJOA-INIZCTEOSA-N	0	3	316.445	2.942	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1c1nc(C(F)(F)F)ccc1C#N	ZINC000265256780	288314393	/nfs/dbraw/zinc/31/43/93/288314393.db2.gz	RPPBFJVMZJHRFS-PWSUYJOCSA-N	0	3	310.323	2.645	20	30		DFEDHN
CN1CC[C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C[C@H]21	ZINC000375040009	290234692	/nfs/dbraw/zinc/23/46/92/290234692.db2.gz	OHLPNFZVCPCRFK-CMPLNLGQSA-N	0	3	310.323	2.502	20	30		DFEDHN
C[C@@H](NCCC(=O)NCc1ccccc1)c1ccc(C#N)cc1	ZINC000154123394	295292255	/nfs/dbraw/zinc/29/22/55/295292255.db2.gz	ARVZPQFXELXJMP-OAHLLOKOSA-N	0	3	307.397	2.915	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000376262290	297263560	/nfs/dbraw/zinc/26/35/60/297263560.db2.gz	OAJNUFDGMNOXKX-TZMCWYRMSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2	ZINC000514975703	300282752	/nfs/dbraw/zinc/28/27/52/300282752.db2.gz	HAYWQJLEXZEGMA-NVXWUHKLSA-N	0	3	321.428	2.865	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000516579461	300350262	/nfs/dbraw/zinc/35/02/62/300350262.db2.gz	DWUWIIZEZYSZSO-CRAIPNDOSA-N	0	3	309.413	2.679	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000541790369	301397227	/nfs/dbraw/zinc/39/72/27/301397227.db2.gz	WIVKMKMHDZEJSS-AWEZNQCLSA-N	0	3	305.809	2.816	20	30		DFEDHN
Cc1cccc2c1CC[C@@H]2NCc1cnc2c(C#N)cnn2c1	ZINC000552413344	301691960	/nfs/dbraw/zinc/69/19/60/301691960.db2.gz	XYPUWQITZGDDHB-KRWDZBQOSA-N	0	3	303.369	2.687	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000556268183	301790872	/nfs/dbraw/zinc/79/08/72/301790872.db2.gz	ASNHPSSDDGIOMW-BVPBIZIASA-N	0	3	310.401	2.824	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000563333934	302062798	/nfs/dbraw/zinc/06/27/98/302062798.db2.gz	GXVNHTTVTQNXBM-IBGZPJMESA-N	0	3	322.412	2.589	20	30		DFEDHN
Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cn1	ZINC000563354279	302065635	/nfs/dbraw/zinc/06/56/35/302065635.db2.gz	NNGYCMGDKMIRNJ-ZXFUBFMLSA-N	0	3	307.401	2.597	20	30		DFEDHN
COc1cc(C#N)ccc1CN1C[C@@H](c2cnn(C)c2)C(C)(C)C1	ZINC000563932170	302109197	/nfs/dbraw/zinc/10/91/97/302109197.db2.gz	NNZQZFVSCNLDHK-KRWDZBQOSA-N	0	3	324.428	2.926	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000564855788	302164972	/nfs/dbraw/zinc/16/49/72/302164972.db2.gz	HITAHIZMMRVUHC-ZTQAJYAQSA-N	0	3	322.408	2.821	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@H](c2cccnc2)C1	ZINC000564921134	302173784	/nfs/dbraw/zinc/17/37/84/302173784.db2.gz	UVIGKEXRENZELX-KRWDZBQOSA-N	0	3	323.396	2.830	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000565084926	302192904	/nfs/dbraw/zinc/19/29/04/302192904.db2.gz	SUQDVLHTKMIDKS-UHFFFAOYSA-N	0	3	312.291	2.762	20	30		DFEDHN
N#Cc1ccc(CN(CCO)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000566299279	302276620	/nfs/dbraw/zinc/27/66/20/302276620.db2.gz	YGVLLSYEGYNLIE-UHFFFAOYSA-N	0	3	303.362	2.593	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1	ZINC000567058553	302332457	/nfs/dbraw/zinc/33/24/57/302332457.db2.gz	YKDSXLVQWZVEDZ-CQSZACIVSA-N	0	3	300.793	2.935	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCc2ccccc2C1	ZINC000567896455	302397311	/nfs/dbraw/zinc/39/73/11/302397311.db2.gz	OWQHPRMFXGUUDI-GOSISDBHSA-N	0	3	317.396	2.590	20	30		DFEDHN
CC(C)N1CC[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O	ZINC000568702621	302469770	/nfs/dbraw/zinc/46/97/70/302469770.db2.gz	YZCUDBJLQXSNKI-QZTJIDSGSA-N	0	3	311.429	2.925	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)cc1F	ZINC000573435205	302704178	/nfs/dbraw/zinc/70/41/78/302704178.db2.gz	FQULJKVBHCTOLE-CQSZACIVSA-N	0	3	314.339	2.600	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCc3cc(F)ccc3F)n2c1	ZINC000177582253	315983844	/nfs/dbraw/zinc/98/38/44/315983844.db2.gz	XHWZTLGGBUTVDC-UHFFFAOYSA-N	0	3	312.323	2.816	20	30		DFEDHN
C[C@H](NCCNC(=O)c1ccccc1F)c1cccc(C#N)c1	ZINC000181551129	316062834	/nfs/dbraw/zinc/06/28/34/316062834.db2.gz	QWAWSIKKFLXTNY-ZDUSSCGKSA-N	0	3	311.360	2.778	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCO1	ZINC000182333810	316097123	/nfs/dbraw/zinc/09/71/23/316097123.db2.gz	COAZRARYLHBSDY-ZFWWWQNUSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@H]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000318898549	316250625	/nfs/dbraw/zinc/25/06/25/316250625.db2.gz	UONUHXCQAWQFOO-HOCLYGCPSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000320114643	316252524	/nfs/dbraw/zinc/25/25/24/316252524.db2.gz	QQYQHGBYHKFQHQ-HOCLYGCPSA-N	0	3	320.458	2.890	20	30		DFEDHN
CCCN(CCN1CCCCCC1)c1nc(C)cc(C#N)n1	ZINC000558048983	317878666	/nfs/dbraw/zinc/87/86/66/317878666.db2.gz	XKWMWBXHXJDLTD-UHFFFAOYSA-N	0	3	301.438	2.749	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(c3ncccc3F)C1)CC2	ZINC000558497739	317882865	/nfs/dbraw/zinc/88/28/65/317882865.db2.gz	CNEUXHOMXBWMMS-YJBOKZPZSA-N	0	3	322.387	2.948	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000576561443	318134269	/nfs/dbraw/zinc/13/42/69/318134269.db2.gz	PFTJLEBHRHCGIY-AWEZNQCLSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@]1(CCCO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577283242	318183125	/nfs/dbraw/zinc/18/31/25/318183125.db2.gz	PVCLPTLYVQQTFI-MRXNPFEDSA-N	0	3	303.362	2.593	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@H]1NCc1ccc(C#N)cn1	ZINC000578903425	318294482	/nfs/dbraw/zinc/29/44/82/318294482.db2.gz	GUZPRKBIPSTAAU-HZPDHXFCSA-N	0	3	301.390	2.555	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2cc(C#N)ncn2)CC1	ZINC000579189065	318312141	/nfs/dbraw/zinc/31/21/41/318312141.db2.gz	IPRUFRJDVSYMIR-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
CC(C)(CNCc1cnc2ccc(C#N)cn12)C1(O)CCCC1	ZINC000580034788	318369864	/nfs/dbraw/zinc/36/98/64/318369864.db2.gz	ZOHQKJICZVPUQM-UHFFFAOYSA-N	0	3	312.417	2.627	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCn3ccnc3C2)c(C(F)(F)F)c1	ZINC000580131935	318377482	/nfs/dbraw/zinc/37/74/82/318377482.db2.gz	KIDHYBDHLSOPBG-ZDUSSCGKSA-N	0	3	320.318	2.878	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000382764235	323302644	/nfs/dbraw/zinc/30/26/44/323302644.db2.gz	AIZYGPFFOLXDBJ-KRWDZBQOSA-N	0	3	320.458	2.890	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C#N)n1	ZINC000398063208	323357054	/nfs/dbraw/zinc/35/70/54/323357054.db2.gz	NBURPDRSOXHZQG-HNAYVOBHSA-N	0	3	306.413	2.759	20	30		DFEDHN
Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)cn1	ZINC000399587553	323359751	/nfs/dbraw/zinc/35/97/51/323359751.db2.gz	PJEUVVDJTRAQKD-KUHUBIRLSA-N	0	3	306.413	2.616	20	30		DFEDHN
Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C#N)cn3)C2)n1	ZINC000580393077	323377869	/nfs/dbraw/zinc/37/78/69/323377869.db2.gz	QAZACZRDUYTGIB-INIZCTEOSA-N	0	3	307.401	2.591	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000581721747	323563847	/nfs/dbraw/zinc/56/38/47/323563847.db2.gz	NMKBHYUSZUQLOZ-CVEARBPZSA-N	0	3	320.458	2.748	20	30		DFEDHN
CC(C)[C@@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1	ZINC000583752890	323908422	/nfs/dbraw/zinc/90/84/22/323908422.db2.gz	GYPOUVAUXYYARD-GFCCVEGCSA-N	0	3	311.311	2.668	20	30		DFEDHN
C=C(C)[C@H](N[C@H](C)CN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187773983	331528043	/nfs/dbraw/zinc/52/80/43/331528043.db2.gz	LWNYNTSUSIVSCU-DYVFJYSZSA-N	0	3	310.388	2.892	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCCO1)C(C)C	ZINC000249531832	332914819	/nfs/dbraw/zinc/91/48/19/332914819.db2.gz	ZUDRYXFZZAHLDO-BRWVUGGUSA-N	0	3	323.481	2.552	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1	ZINC000407988361	331647451	/nfs/dbraw/zinc/64/74/51/331647451.db2.gz	BPZVDLARPJYLML-YOEHRIQHSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000299358436	331687405	/nfs/dbraw/zinc/68/74/05/331687405.db2.gz	XOHXVJWQRLFEOC-FUHWJXTLSA-N	0	3	316.445	2.921	20	30		DFEDHN
C[C@@H](C[C@H]1COCCN1)Nc1cccc(OCCCC#N)c1	ZINC000317334184	331695746	/nfs/dbraw/zinc/69/57/46/331695746.db2.gz	KXGAXFZLYQIZHP-HOCLYGCPSA-N	0	3	303.406	2.548	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2cccc(F)c2)CC1	ZINC000255460721	331747705	/nfs/dbraw/zinc/74/77/05/331747705.db2.gz	XWTGQFYPVJHKKV-SREVYHEPSA-N	0	3	302.393	2.996	20	30		DFEDHN
COCCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000092536974	332128145	/nfs/dbraw/zinc/12/81/45/332128145.db2.gz	DBWJYYWNJDJPBF-UHFFFAOYSA-N	0	3	312.417	2.932	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1	ZINC000092616163	332129156	/nfs/dbraw/zinc/12/91/56/332129156.db2.gz	KYMDPCMIHMVSKM-LJQANCHMSA-N	0	3	312.461	2.707	20	30		DFEDHN
CN(CCOCC1CC1)Cc1ccc(N(C)CCC#N)cc1	ZINC000093818615	332143007	/nfs/dbraw/zinc/14/30/07/332143007.db2.gz	NXZRLVGJPIZLKP-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCn1cc(CN[C@@H]2CCC[C@H](c3ncccc3C)C2)nn1	ZINC000569592635	332169151	/nfs/dbraw/zinc/16/91/51/332169151.db2.gz	HFYREXBGQJUINU-JKSUJKDBSA-N	0	3	311.433	2.984	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000236758587	332202486	/nfs/dbraw/zinc/20/24/86/332202486.db2.gz	MRHAZZJAGBXBJA-RHSMWYFYSA-N	0	3	304.434	2.907	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C#N)CC1)C(C)C	ZINC000105139786	332250167	/nfs/dbraw/zinc/25/01/67/332250167.db2.gz	BDINKVQTORQRDV-QGZVFWFLSA-N	0	3	318.465	2.630	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(F)CCNC1	ZINC000370793733	332252515	/nfs/dbraw/zinc/25/25/15/332252515.db2.gz	PRKQOSBCWWYTNU-ZDUSSCGKSA-N	0	3	302.802	2.618	20	30		DFEDHN
C=C(C)CCNCc1ccccc1OCC(=O)NCC1CC1	ZINC000449474342	332259701	/nfs/dbraw/zinc/25/97/01/332259701.db2.gz	JDWCHAZGKWOHGY-UHFFFAOYSA-N	0	3	302.418	2.647	20	30		DFEDHN
C#CCNC(=O)CCNC1(c2ccc(Cl)c(Cl)c2)CC1	ZINC000292911155	335097912	/nfs/dbraw/zinc/09/79/12/335097912.db2.gz	XBNOMOAVXQKKTK-UHFFFAOYSA-N	0	3	311.212	2.712	20	30		DFEDHN
C=CCOc1ccc(CNc2ccn(CCN(C)C)n2)cc1	ZINC000119769890	332287118	/nfs/dbraw/zinc/28/71/18/332287118.db2.gz	VTJPBHVBVRJDDP-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
CCOC(=O)c1c(NC(=O)C(C)C#N)sc2c1CCCC2	ZINC000044822692	332293184	/nfs/dbraw/zinc/29/31/84/332293184.db2.gz	LYAKAXLBVZPOCM-SECBINFHSA-N	0	3	306.387	2.902	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1OC	ZINC000560318515	332330441	/nfs/dbraw/zinc/33/04/41/332330441.db2.gz	MFFWTQRNZAFQRY-OCCSQVGLSA-N	0	3	324.808	2.610	20	30		DFEDHN
CN(C)C[C@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1	ZINC000560508499	332347981	/nfs/dbraw/zinc/34/79/81/332347981.db2.gz	IJANDMFWKTXWFX-ZDUSSCGKSA-N	0	3	307.825	2.651	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(CC#N)cc1	ZINC000118797002	332356208	/nfs/dbraw/zinc/35/62/08/332356208.db2.gz	MSISGGGOSBWANT-HNNXBMFYSA-N	0	3	300.406	2.558	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccccc1C(F)(F)F)C1CC1	ZINC000293480043	335107252	/nfs/dbraw/zinc/10/72/52/335107252.db2.gz	MHNGKENVTFPVDP-UHFFFAOYSA-N	0	3	324.346	2.809	20	30		DFEDHN
C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000293380748	335108351	/nfs/dbraw/zinc/10/83/51/335108351.db2.gz	WCPVXYCQYWMXGS-UHFFFAOYSA-N	0	3	314.351	2.927	20	30		DFEDHN
CCC(=O)N1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C1	ZINC000122900036	332415115	/nfs/dbraw/zinc/41/51/15/332415115.db2.gz	OYCFGUSIYNWIME-UZUMKDMXSA-N	0	3	317.433	2.668	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000133761687	332592703	/nfs/dbraw/zinc/59/27/03/332592703.db2.gz	DSFAWYCLKPQWIQ-KRWDZBQOSA-N	0	3	314.433	2.815	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(Oc2cccnc2)cc1	ZINC000293861313	335115568	/nfs/dbraw/zinc/11/55/68/335115568.db2.gz	BDMMCAAMMXGPEG-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CO)CC2)cc1OC	ZINC000293987672	335116392	/nfs/dbraw/zinc/11/63/92/335116392.db2.gz	LMQYJLCJHGYPGJ-OAHLLOKOSA-N	0	3	305.418	2.854	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)C#N	ZINC000175278099	333097090	/nfs/dbraw/zinc/09/70/90/333097090.db2.gz	SIWGQWZARPFBKM-QGZVFWFLSA-N	0	3	313.445	2.907	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC2CCN(C3CC3)CC2)cc1	ZINC000294376297	335121440	/nfs/dbraw/zinc/12/14/40/335121440.db2.gz	JIETWIMXMNQNNN-UHFFFAOYSA-N	0	3	314.429	2.537	20	30		DFEDHN
Cc1ccccc1[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)C1CC1	ZINC000526057635	333149764	/nfs/dbraw/zinc/14/97/64/333149764.db2.gz	HDXZQTMOJULXLN-PBHICJAKSA-N	0	3	311.429	2.987	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](OC)C1)C(C)C	ZINC000187847680	333150449	/nfs/dbraw/zinc/15/04/49/333150449.db2.gz	BZHVNWMATNPNRB-YESZJQIVSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000187860194	333151245	/nfs/dbraw/zinc/15/12/45/333151245.db2.gz	ANFHXXRBJINVNX-KRWDZBQOSA-N	0	3	301.434	2.772	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](C)NCCC(=O)N(C)CCC#N)c1	ZINC000179680927	333154483	/nfs/dbraw/zinc/15/44/83/333154483.db2.gz	OKDFLSGIOWCLRJ-OAHLLOKOSA-N	0	3	317.433	2.887	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)CC1	ZINC000179751719	333154962	/nfs/dbraw/zinc/15/49/62/333154962.db2.gz	NGPAGTNINUZESJ-UHFFFAOYSA-N	0	3	309.413	2.598	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000179911585	333156569	/nfs/dbraw/zinc/15/65/69/333156569.db2.gz	HVLMUSKDSFDCJJ-OAHLLOKOSA-N	0	3	311.429	2.703	20	30		DFEDHN
CCc1ccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000180096581	333158308	/nfs/dbraw/zinc/15/83/08/333158308.db2.gz	LGCVYHGJMCAGAG-LJQANCHMSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180286794	333160247	/nfs/dbraw/zinc/16/02/47/333160247.db2.gz	MWVYMXKCUKXPQP-UHFFFAOYSA-N	0	3	309.413	2.622	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CN1C1CC1	ZINC000180529834	333162639	/nfs/dbraw/zinc/16/26/39/333162639.db2.gz	SVISJNDGDQERLG-CJNGLKHVSA-N	0	3	309.413	2.597	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)C(C)(C)c1ccccc1	ZINC000181777404	333172251	/nfs/dbraw/zinc/17/22/51/333172251.db2.gz	STCITISJTNPBCB-HNAYVOBHSA-N	0	3	315.461	2.997	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C(C)(C)c1ccccc1	ZINC000181792783	333172441	/nfs/dbraw/zinc/17/24/41/333172441.db2.gz	SDLFROFJCOSSIB-LSDHHAIUSA-N	0	3	301.434	2.703	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H](CNCC2(C#N)CCC2)C1	ZINC000497174014	333203351	/nfs/dbraw/zinc/20/33/51/333203351.db2.gz	ZDFSDHMZOZNFFP-AWEZNQCLSA-N	0	3	307.438	2.917	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccccc2CN2CCOCC2)C1	ZINC000185759965	333213594	/nfs/dbraw/zinc/21/35/94/333213594.db2.gz	WMICFEHWTXWTBB-QFBILLFUSA-N	0	3	313.445	2.691	20	30		DFEDHN
Cc1ccc([C@@H](CN[C@H]2CCC[C@H](C#N)C2)N2CCOCC2)o1	ZINC000185762867	333213780	/nfs/dbraw/zinc/21/37/80/333213780.db2.gz	ZLNFCOJAIXRCEN-YESZJQIVSA-N	0	3	317.433	2.633	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC)c1OC	ZINC000185785748	333214116	/nfs/dbraw/zinc/21/41/16/333214116.db2.gz	WVOGNLJFXIEYKY-GXTWGEPZSA-N	0	3	304.390	2.884	20	30		DFEDHN
CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000185882295	333215481	/nfs/dbraw/zinc/21/54/81/333215481.db2.gz	SGEVFRYDEJRKDV-DZGCQCFKSA-N	0	3	301.390	2.696	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185879522	333215524	/nfs/dbraw/zinc/21/55/24/333215524.db2.gz	LJWIZXLIMDBLEI-CABCVRRESA-N	0	3	306.431	2.652	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000364117934	333240930	/nfs/dbraw/zinc/24/09/30/333240930.db2.gz	FECOCHMDDWAIMO-APHBMKBZSA-N	0	3	304.821	2.704	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1OC	ZINC000295103897	335132283	/nfs/dbraw/zinc/13/22/83/335132283.db2.gz	TZZDHEDSCYNZJR-WFASDCNBSA-N	0	3	315.360	2.754	20	30		DFEDHN
C=CCCCC(=O)NCC1(N2CCN(C)CC2)CCCCCC1	ZINC000364376057	333302516	/nfs/dbraw/zinc/30/25/16/333302516.db2.gz	HSOHAGFRLFYEAG-UHFFFAOYSA-N	0	3	321.509	2.799	20	30		DFEDHN
COc1ccc(CN[C@H](CO)C(C)(C)C)cc1OCCCC#N	ZINC000194635506	333315019	/nfs/dbraw/zinc/31/50/19/333315019.db2.gz	UJKAMPZMMAEJES-QGZVFWFLSA-N	0	3	320.433	2.874	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000111258083	333328129	/nfs/dbraw/zinc/32/81/29/333328129.db2.gz	UYUZXNCPGZXWFE-YOEHRIQHSA-N	0	3	314.429	2.913	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NC[C@H](CO)c2ccccc2)C1	ZINC000364846247	333332320	/nfs/dbraw/zinc/33/23/20/333332320.db2.gz	IFSLUIMZMPDABQ-QHGAOEGBSA-N	0	3	306.409	2.976	20	30		DFEDHN
C=CCCOCCN[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000364855324	333332381	/nfs/dbraw/zinc/33/23/81/333332381.db2.gz	MPCSIWKNLMBXEP-SFHVURJKSA-N	0	3	320.408	2.801	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)CC1	ZINC000119189127	333343136	/nfs/dbraw/zinc/34/31/36/333343136.db2.gz	QLDYBBJDQNJWBV-GOSISDBHSA-N	0	3	310.441	2.870	20	30		DFEDHN
C#Cc1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1	ZINC000295585230	335136384	/nfs/dbraw/zinc/13/63/84/335136384.db2.gz	WASVDJZWNVZDRA-UHFFFAOYSA-N	0	3	322.408	2.538	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000296018546	335139406	/nfs/dbraw/zinc/13/94/06/335139406.db2.gz	YXQICBYYWXIGMO-RDJZCZTQSA-N	0	3	314.429	2.643	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(Cc3ccc(F)cc3)CC2)C1=O	ZINC000337131195	333439483	/nfs/dbraw/zinc/43/94/83/333439483.db2.gz	JOPOCCASWAAAGT-SFHVURJKSA-N	0	3	316.420	2.867	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](CCCCOC)c2ccccc2)C1=O	ZINC000337262956	333444904	/nfs/dbraw/zinc/44/49/04/333444904.db2.gz	WVUQETDQJDKDRS-QZTJIDSGSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000337441549	333449313	/nfs/dbraw/zinc/44/93/13/333449313.db2.gz	GLLGYFNJLFLUGT-OAHLLOKOSA-N	0	3	314.495	2.621	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000337696451	333457666	/nfs/dbraw/zinc/45/76/66/333457666.db2.gz	SVVOZPCBROKNPP-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1S(C)(=O)=O	ZINC000446899005	333459600	/nfs/dbraw/zinc/45/96/00/333459600.db2.gz	GAAWPEYDUVOUFR-UKRRQHHQSA-N	0	3	306.431	2.571	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1	ZINC000337893862	333463017	/nfs/dbraw/zinc/46/30/17/333463017.db2.gz	BSVFYNDGMNLTRW-UHFFFAOYSA-N	0	3	303.454	2.510	20	30		DFEDHN
CNCc1ccccc1NC(=O)N1CCC(CCC#N)CC1	ZINC000570965637	333469807	/nfs/dbraw/zinc/46/98/07/333469807.db2.gz	LELFNOBFBWVZOX-UHFFFAOYSA-N	0	3	300.406	2.954	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCCC23CCCC3)CC1	ZINC000366070014	333491687	/nfs/dbraw/zinc/49/16/87/333491687.db2.gz	XAIUWCQBEQMUQS-QGZVFWFLSA-N	0	3	302.462	2.951	20	30		DFEDHN
Clc1ccc(C#CCN2CCN([C@@H]3CCSC3)CC2)cc1	ZINC000366093896	333493059	/nfs/dbraw/zinc/49/30/59/333493059.db2.gz	IIQYNSSWUBBXEU-QGZVFWFLSA-N	0	3	320.889	2.815	20	30		DFEDHN
C=CCC[C@@H](CO)NC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412400576	333753165	/nfs/dbraw/zinc/75/31/65/333753165.db2.gz	KFFOTKNYGBDHOE-SFHVURJKSA-N	0	3	316.445	2.729	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000265604587	333966947	/nfs/dbraw/zinc/96/69/47/333966947.db2.gz	ATISMSNGMDRUMD-NTYUQYKDSA-N	0	3	312.200	2.792	20	30		DFEDHN
Cc1ccc([C@H](O)CNCc2ccc(N(C)CCC#N)cc2)o1	ZINC000265926393	333969631	/nfs/dbraw/zinc/96/96/31/333969631.db2.gz	CRHCPVNBWCDKPK-QGZVFWFLSA-N	0	3	313.401	2.761	20	30		DFEDHN
CC(C)(C)[C@@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000267523887	333985021	/nfs/dbraw/zinc/98/50/21/333985021.db2.gz	NCNSCRIFOBAZLS-QGZVFWFLSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCOCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C	ZINC000436723536	333991448	/nfs/dbraw/zinc/99/14/48/333991448.db2.gz	OBCJTHUYEJCEQB-QGZVFWFLSA-N	0	3	316.445	2.879	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(CC#N)cc1	ZINC000270321489	334011092	/nfs/dbraw/zinc/01/10/92/334011092.db2.gz	YDBUKSKPBHCKCG-LJQANCHMSA-N	0	3	321.424	2.655	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)c1ccc(CC#N)cc1	ZINC000270359832	334012146	/nfs/dbraw/zinc/01/21/46/334012146.db2.gz	JUWQDIKQALMTKM-UHFFFAOYSA-N	0	3	311.385	2.550	20	30		DFEDHN
CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343536012	335170555	/nfs/dbraw/zinc/17/05/55/335170555.db2.gz	RBTMGRXAWFURDU-GOSISDBHSA-N	0	3	313.445	2.737	20	30		DFEDHN
N#CC1(c2ccccc2)CCC(NCc2nnc3n2CCC3)CC1	ZINC000271065510	334017886	/nfs/dbraw/zinc/01/78/86/334017886.db2.gz	ITJQFTBRGJYZHM-UHFFFAOYSA-N	0	3	321.428	2.718	20	30		DFEDHN
C[C@H](C#N)CN(C)Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000271129844	334019052	/nfs/dbraw/zinc/01/90/52/334019052.db2.gz	NNKNVDYUHZFEPS-MRXNPFEDSA-N	0	3	314.477	2.808	20	30		DFEDHN
Cc1ccc([C@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)o1	ZINC000271817168	334027363	/nfs/dbraw/zinc/02/73/63/334027363.db2.gz	BTXSFGAKIBRZDA-CZUORRHYSA-N	0	3	300.358	2.875	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)c(C)c1	ZINC000271846246	334027765	/nfs/dbraw/zinc/02/77/65/334027765.db2.gz	ZDMDHQJYGCJZBW-CZUORRHYSA-N	0	3	301.434	2.962	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1=CCN(C)CC1	ZINC000272675023	334038940	/nfs/dbraw/zinc/03/89/40/334038940.db2.gz	JSVKGSLKJFNDRU-AWEZNQCLSA-N	0	3	309.413	2.622	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCC#N	ZINC000273084777	334043246	/nfs/dbraw/zinc/04/32/46/334043246.db2.gz	LUKLVNLQMJTVBA-MRXNPFEDSA-N	0	3	314.433	2.596	20	30		DFEDHN
CN1CCC(N(Cc2ccccc2)C(=O)NCCCC#N)CC1	ZINC000273303279	334045166	/nfs/dbraw/zinc/04/51/66/334045166.db2.gz	URZIYJKQQFYMNO-UHFFFAOYSA-N	0	3	314.433	2.596	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2cc(F)ccc2N2CCOCC2)C1	ZINC000274228528	334057320	/nfs/dbraw/zinc/05/73/20/334057320.db2.gz	RZJPGZJQLAQKCN-PBHICJAKSA-N	0	3	317.408	2.834	20	30		DFEDHN
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ncnn1C	ZINC000276701039	334084722	/nfs/dbraw/zinc/08/47/22/334084722.db2.gz	VTVJPLIUZVQELW-NXVRBGIVSA-N	0	3	309.417	2.870	20	30		DFEDHN
CC(C)(CCC#N)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000278636709	334098923	/nfs/dbraw/zinc/09/89/23/334098923.db2.gz	IPKZCTKFHMBTND-UHFFFAOYSA-N	0	3	301.350	2.891	20	30		DFEDHN
Cc1ccccc1C(=O)NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000278759418	334100923	/nfs/dbraw/zinc/10/09/23/334100923.db2.gz	XSBCLGWRXRROSV-WBVHZDCISA-N	0	3	311.429	2.882	20	30		DFEDHN
N#CCSCCCN1CCC[C@H](Oc2ncccc2F)C1	ZINC000278916481	334103562	/nfs/dbraw/zinc/10/35/62/334103562.db2.gz	UGBMZHXPXWWNIR-ZDUSSCGKSA-N	0	3	309.410	2.711	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1	ZINC000414821055	334108594	/nfs/dbraw/zinc/10/85/94/334108594.db2.gz	DRTBNFIOBUGEOS-CHWSQXEVSA-N	0	3	300.406	2.702	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOCCCC2CCOCC2)cc1	ZINC000279703750	334111185	/nfs/dbraw/zinc/11/11/85/334111185.db2.gz	HFEMQDSSVIANIV-UHFFFAOYSA-N	0	3	319.449	2.592	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CN1C1CC1	ZINC000279895688	334112648	/nfs/dbraw/zinc/11/26/48/334112648.db2.gz	MJUWUIIXBIUGFD-XJKSGUPXSA-N	0	3	311.429	2.843	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CN1C1CC1	ZINC000279895684	334112720	/nfs/dbraw/zinc/11/27/20/334112720.db2.gz	MJUWUIIXBIUGFD-CZUORRHYSA-N	0	3	311.429	2.843	20	30		DFEDHN
COCCN(CCCC1(C#N)CCOCC1)Cc1ccco1	ZINC000281878379	334129237	/nfs/dbraw/zinc/12/92/37/334129237.db2.gz	CSJKKQXYVQXEAI-UHFFFAOYSA-N	0	3	306.406	2.829	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(Br)cc2)C1	ZINC000282171704	334132126	/nfs/dbraw/zinc/13/21/26/334132126.db2.gz	FBNFNQNUIUVBEO-HONMWMINSA-N	0	3	309.207	2.764	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1	ZINC000282196352	334132355	/nfs/dbraw/zinc/13/23/55/334132355.db2.gz	GOAZLATUPQJVGL-AGLBBYSZSA-N	0	3	319.355	2.518	20	30		DFEDHN
Cn1ncc(Br)c1CNCC1CCC(C#N)CC1	ZINC000282207010	334132542	/nfs/dbraw/zinc/13/25/42/334132542.db2.gz	DBVRUBFLVLUAJV-UHFFFAOYSA-N	0	3	311.227	2.602	20	30		DFEDHN
CCCC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-]	ZINC000282506594	334135249	/nfs/dbraw/zinc/13/52/49/334135249.db2.gz	RMHZJXUFDPRPNR-UHFFFAOYSA-N	0	3	317.433	2.756	20	30		DFEDHN
CCCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1[O-]	ZINC000282506594	334135250	/nfs/dbraw/zinc/13/52/50/334135250.db2.gz	RMHZJXUFDPRPNR-UHFFFAOYSA-N	0	3	317.433	2.756	20	30		DFEDHN
C[C@@H](CC#N)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285351045	334147255	/nfs/dbraw/zinc/14/72/55/334147255.db2.gz	ZFWLYKRSKDUETI-ZFWWWQNUSA-N	0	3	321.371	2.562	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000286050182	334150992	/nfs/dbraw/zinc/15/09/92/334150992.db2.gz	LFESBGZHHMWIMC-IEBWSBKVSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C#N)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1	ZINC000340230138	334153397	/nfs/dbraw/zinc/15/33/97/334153397.db2.gz	GUHBHXNXQVFABM-JTQLQIEISA-N	0	3	315.200	2.864	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)NCCCCC#N)CCN1Cc1ccccc1	ZINC000287395904	334157653	/nfs/dbraw/zinc/15/76/53/334157653.db2.gz	MHAYWXWMOZKPHG-DOTOQJQBSA-N	0	3	314.433	2.642	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000288689158	334161774	/nfs/dbraw/zinc/16/17/74/334161774.db2.gz	UIHYYYHBOUDPAB-WBVHZDCISA-N	0	3	319.449	2.952	20	30		DFEDHN
CC[C@@](C)(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000289057526	334163310	/nfs/dbraw/zinc/16/33/10/334163310.db2.gz	FYNLXDKFVCQCCW-KRWDZBQOSA-N	0	3	314.389	2.868	20	30		DFEDHN
C#C[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)C(C)C	ZINC000289395104	334164787	/nfs/dbraw/zinc/16/47/87/334164787.db2.gz	NXWIYKMCHXHUCK-QGZVFWFLSA-N	0	3	307.401	2.606	20	30		DFEDHN
N#CC1(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CCCCC1	ZINC000289982326	334170185	/nfs/dbraw/zinc/17/01/85/334170185.db2.gz	JSSYPTXANFDCHQ-GJZGRUSLSA-N	0	3	312.369	2.633	20	30		DFEDHN
N#CC1(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CCCCC1	ZINC000289982333	334170263	/nfs/dbraw/zinc/17/02/63/334170263.db2.gz	JSSYPTXANFDCHQ-LSDHHAIUSA-N	0	3	312.369	2.633	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](CNC(=O)CCCC#N)N(C)C)cc1	ZINC000293515347	334198522	/nfs/dbraw/zinc/19/85/22/334198522.db2.gz	ZVSAOKXGLKLOCC-QGZVFWFLSA-N	0	3	317.433	2.887	20	30		DFEDHN
CCS(=O)(=O)C[C@H](C)N[C@@H](CCCC#N)c1ccccc1	ZINC000340443309	334202712	/nfs/dbraw/zinc/20/27/12/334202712.db2.gz	GEYNJTFQTXVUQY-HOCLYGCPSA-N	0	3	308.447	2.834	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)CCCC#N)N(C)C)cc1	ZINC000294162841	334206504	/nfs/dbraw/zinc/20/65/04/334206504.db2.gz	APMOCODQBYEWSW-HNNXBMFYSA-N	0	3	305.447	2.821	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1	ZINC000296522346	334234748	/nfs/dbraw/zinc/23/47/48/334234748.db2.gz	ZNPRKYAQOIVMGZ-BBRMVZONSA-N	0	3	300.406	2.952	20	30		DFEDHN
N#CCC[C@H](C#N)CN1CCN(c2ccnc3ccccc32)CC1	ZINC000297789877	334244300	/nfs/dbraw/zinc/24/43/00/334244300.db2.gz	WQRPLGZVJGMVDW-MRXNPFEDSA-N	0	3	319.412	2.800	20	30		DFEDHN
C[C@H](CCC#N)N[C@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000298363125	334248004	/nfs/dbraw/zinc/24/80/04/334248004.db2.gz	NDONDMBVISGPKQ-ZIAGYGMSSA-N	0	3	300.406	2.949	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000119586760	334284893	/nfs/dbraw/zinc/28/48/93/334284893.db2.gz	JCCYQRJRQRNJAE-JZXOWHBKSA-N	0	3	316.445	2.604	20	30		DFEDHN
COC(=O)[C@](C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000443066988	338443057	/nfs/dbraw/zinc/44/30/57/338443057.db2.gz	KPTOQYDCQOTOJY-XGWLTEMNSA-N	0	3	304.365	2.538	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccccc1OCc1ccncc1	ZINC000341261749	334426508	/nfs/dbraw/zinc/42/65/08/334426508.db2.gz	DHYTXOGLOUBABJ-QGZVFWFLSA-N	0	3	312.413	2.935	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(F)cc1Br	ZINC000341315242	334434617	/nfs/dbraw/zinc/43/46/17/334434617.db2.gz	UCNJAYKORNCXJD-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
C=C(CC)CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000341588092	334459266	/nfs/dbraw/zinc/45/92/66/334459266.db2.gz	QDNKEHKFRUELFE-AWEZNQCLSA-N	0	3	308.447	2.843	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCCC12CCN(C)CC2	ZINC000343054262	334595989	/nfs/dbraw/zinc/59/59/89/334595989.db2.gz	VDZGAOUSBGYQPC-UHFFFAOYSA-N	0	3	308.466	2.836	20	30		DFEDHN
Cn1nccc1CC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000328718535	334748150	/nfs/dbraw/zinc/74/81/50/334748150.db2.gz	PVSRQSZPUUOARR-UHFFFAOYSA-N	0	3	318.465	2.965	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H](C)n2nc(C)cc2C)CC1	ZINC000330646126	334794885	/nfs/dbraw/zinc/79/48/85/334794885.db2.gz	GTQBIPRJFCUBAK-INIZCTEOSA-N	0	3	318.465	2.608	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330985524	334828374	/nfs/dbraw/zinc/82/83/74/334828374.db2.gz	QSHQIRVNXSDMLO-LLVKDONJSA-N	0	3	324.356	2.934	20	30		DFEDHN
CN(C)[C@@]1(CNC(=O)c2cc(C(C)(C)C)on2)CCSC1	ZINC000331120729	334837583	/nfs/dbraw/zinc/83/75/83/334837583.db2.gz	XECNDKCGQZYDND-OAHLLOKOSA-N	0	3	311.451	2.714	20	30		DFEDHN
CC(C)c1nn(C)cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000331249785	334850969	/nfs/dbraw/zinc/85/09/69/334850969.db2.gz	RXLJHJXMUKNPED-CYBMUJFWSA-N	0	3	321.469	2.751	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2c(C)cc(C)nc2C)CC1	ZINC000331292144	334855120	/nfs/dbraw/zinc/85/51/20/334855120.db2.gz	BQRKQSMXRSGZRY-UHFFFAOYSA-N	0	3	302.422	2.983	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000343751785	335190460	/nfs/dbraw/zinc/19/04/60/335190460.db2.gz	RXUMSOUEROTGMH-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCCCNC(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000344459894	335250510	/nfs/dbraw/zinc/25/05/10/335250510.db2.gz	IISAQWNYWNCTAD-UHFFFAOYSA-N	0	3	315.461	2.671	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)C(F)(F)F)CC1	ZINC000344484803	335253056	/nfs/dbraw/zinc/25/30/56/335253056.db2.gz	RFQBWDIDLXLWTF-GFCCVEGCSA-N	0	3	307.360	2.667	20	30		DFEDHN
CCN(CC)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000345197118	335306902	/nfs/dbraw/zinc/30/69/02/335306902.db2.gz	WPURJVCHWQSDPF-CYBMUJFWSA-N	0	3	313.323	2.728	20	30		DFEDHN
C=CCN(C(=O)[C@@H](N)CC(F)F)c1nc2c(s1)CCCC2	ZINC000345705267	335348973	/nfs/dbraw/zinc/34/89/73/335348973.db2.gz	FRUJPUFUJPODAO-VIFPVBQESA-N	0	3	315.389	2.523	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1	ZINC000345768142	335349924	/nfs/dbraw/zinc/34/99/24/335349924.db2.gz	CGCATZQMCWVHDO-AWEZNQCLSA-N	0	3	310.401	2.638	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1	ZINC000345819686	335353190	/nfs/dbraw/zinc/35/31/90/335353190.db2.gz	SISYVJUGEXJXMI-CHWSQXEVSA-N	0	3	305.809	2.705	20	30		DFEDHN
Cc1nc(CCNC(=O)C(C#N)CCc2ccccc2)cs1	ZINC000346022737	335366168	/nfs/dbraw/zinc/36/61/68/335366168.db2.gz	UCBAVZBPEIGTHV-HNNXBMFYSA-N	0	3	313.426	2.883	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000345997908	335368591	/nfs/dbraw/zinc/36/85/91/335368591.db2.gz	MHYKSYLKNBHHDS-SZMVWBNQSA-N	0	3	316.445	2.604	20	30		DFEDHN
CC(C#N)C(=O)NC1(Cc2ccccc2Br)CC1	ZINC000346237682	335387272	/nfs/dbraw/zinc/38/72/72/335387272.db2.gz	RUHJQRQYZWAOAN-JTQLQIEISA-N	0	3	307.191	2.800	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)C1	ZINC000346319805	335399680	/nfs/dbraw/zinc/39/96/80/335399680.db2.gz	KWLQDISNYISFGD-MJGOQNOKSA-N	0	3	311.429	2.628	20	30		DFEDHN
C=CCCCCCN[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C	ZINC000346701066	335431639	/nfs/dbraw/zinc/43/16/39/335431639.db2.gz	ANDIZIIEMZAHMX-QAPCUYQASA-N	0	3	316.449	2.561	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](CC(C)C)C1=O)C(C)C	ZINC000348138687	335556325	/nfs/dbraw/zinc/55/63/25/335556325.db2.gz	AXZMEZWRGRQKSJ-CVEARBPZSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=CCCC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000102342679	335645762	/nfs/dbraw/zinc/64/57/62/335645762.db2.gz	SGGPYRAFDROMSA-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=CC[C@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1	ZINC000349759771	335697731	/nfs/dbraw/zinc/69/77/31/335697731.db2.gz	RMGRXIKYVOITQW-ZIAGYGMSSA-N	0	3	303.324	2.920	20	30		DFEDHN
Cn1nc2c(c1CNC(=O)[C@@H](C1CC1)N1CCCC1)CCCC2	ZINC000329637648	336021213	/nfs/dbraw/zinc/02/12/13/336021213.db2.gz	VQVTVEPIPOARFY-QGZVFWFLSA-N	0	3	316.449	2.630	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000329681580	336043638	/nfs/dbraw/zinc/04/36/38/336043638.db2.gz	WYMPDQSDVVPBIP-XHSDSOJGSA-N	0	3	304.438	2.543	20	30		DFEDHN
Cn1cncc1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000329698321	336053117	/nfs/dbraw/zinc/05/31/17/336053117.db2.gz	YUOLINJZJMWAGR-IUODEOHRSA-N	0	3	318.446	2.869	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2cncc3ccccc32)CC1	ZINC000351640023	336053989	/nfs/dbraw/zinc/05/39/89/336053989.db2.gz	CRZAGWHHQPQFIN-QGZVFWFLSA-N	0	3	311.429	2.684	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CCN1C	ZINC000329700807	336059920	/nfs/dbraw/zinc/05/99/20/336059920.db2.gz	HAUWDIFTNIUSKO-GRYCIOLGSA-N	0	3	317.389	2.843	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CN1C1CC1	ZINC000329805736	336084249	/nfs/dbraw/zinc/08/42/49/336084249.db2.gz	NGTXOBYQNWHUQI-AYRXBEOTSA-N	0	3	322.453	2.599	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000329820665	336086187	/nfs/dbraw/zinc/08/61/87/336086187.db2.gz	GPPUNJWWEAMYDH-SLEUVZQESA-N	0	3	307.438	2.961	20	30		DFEDHN
Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1	ZINC000329824962	336086719	/nfs/dbraw/zinc/08/67/19/336086719.db2.gz	HZJCUHWFKNMQGZ-WMLDXEAASA-N	0	3	324.428	2.968	20	30		DFEDHN
O=C(NCC1(N2CCCCC2)CCOCC1)C1CCC(=O)CC1	ZINC000329842514	336088511	/nfs/dbraw/zinc/08/85/11/336088511.db2.gz	PABUYOQTZOQUQG-UHFFFAOYSA-N	0	3	322.449	2.737	20	30		DFEDHN
CC(=O)N[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CCCC1	ZINC000329844097	336088668	/nfs/dbraw/zinc/08/86/68/336088668.db2.gz	PQRSYSFXKJOUGH-XZJROXQQSA-N	0	3	307.438	2.961	20	30		DFEDHN
Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)nnn1CC1CCCC1	ZINC000329883188	336092156	/nfs/dbraw/zinc/09/21/56/336092156.db2.gz	QVFMMJFLRATALW-SWLSCSKDSA-N	0	3	319.453	2.564	20	30		DFEDHN
Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CCCCN1C1CC1	ZINC000329936462	336097329	/nfs/dbraw/zinc/09/73/29/336097329.db2.gz	DCTBRTVRNKKKKW-OAHLLOKOSA-N	0	3	304.438	2.553	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2coc(C3CCOCC3)n2)C1	ZINC000329944751	336098035	/nfs/dbraw/zinc/09/80/35/336098035.db2.gz	FJRALPNQHAOVJD-CYBMUJFWSA-N	0	3	321.421	2.605	20	30		DFEDHN
CCc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc(=O)[nH]1	ZINC000329961162	336100176	/nfs/dbraw/zinc/10/01/76/336100176.db2.gz	RLRKCZYFHCPLRT-OAHLLOKOSA-N	0	3	303.406	2.671	20	30		DFEDHN
C[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1=CCN(C)CC1	ZINC000329992918	336103701	/nfs/dbraw/zinc/10/37/01/336103701.db2.gz	KXFGFYGOYJFEIO-NSHDSACASA-N	0	3	301.390	2.620	20	30		DFEDHN
O=C(NCCN1CCCCCC1)c1coc(C2CCOCC2)n1	ZINC000330000494	336104753	/nfs/dbraw/zinc/10/47/53/336104753.db2.gz	WMJAUYQJFJVCHB-UHFFFAOYSA-N	0	3	321.421	2.749	20	30		DFEDHN
CN1CCC(O)(CNC(=O)[C@@H]2CCSc3ccccc32)CC1	ZINC000330005552	336105253	/nfs/dbraw/zinc/10/52/53/336105253.db2.gz	BZXZGBNMQYFORH-CQSZACIVSA-N	0	3	320.458	2.679	20	30		DFEDHN
Cn1cc(Nc2cccc(C(=O)NC3CCN(C)CC3)c2)cn1	ZINC000330063177	336110576	/nfs/dbraw/zinc/11/05/76/336110576.db2.gz	PVFBGZUJFPFUGQ-UHFFFAOYSA-N	0	3	313.405	2.563	20	30		DFEDHN
CN(C)C1(CNC(=O)NC[C@H]2CCC3(CCCCC3)O2)CCC1	ZINC000330104573	336113851	/nfs/dbraw/zinc/11/38/51/336113851.db2.gz	JCBGAIKEUDZTGW-OAHLLOKOSA-N	0	3	323.481	2.856	20	30		DFEDHN
C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000330124643	336115935	/nfs/dbraw/zinc/11/59/35/336115935.db2.gz	ICPVGODTCRQYIM-RAFNIBEQSA-N	0	3	319.453	2.908	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C	ZINC000330127289	336116255	/nfs/dbraw/zinc/11/62/55/336116255.db2.gz	MTQROQVYNJWAFU-DUVNUKRYSA-N	0	3	319.453	2.734	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2c3c(ccc2OC)CCC3)CC1	ZINC000330138242	336117187	/nfs/dbraw/zinc/11/71/87/336117187.db2.gz	VJZBDGJXDYMIIQ-UHFFFAOYSA-N	0	3	317.433	2.994	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOC3(CCCCC3)C2)CCN1C	ZINC000330270902	336131847	/nfs/dbraw/zinc/13/18/47/336131847.db2.gz	VABBPBSEARNAHI-OAGGEKHMSA-N	0	3	323.481	2.855	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nnc4n3CCCCC4)C2)C1	ZINC000330276811	336132756	/nfs/dbraw/zinc/13/27/56/336132756.db2.gz	NKZJZVRPYYQZIB-OWCLPIDISA-N	0	3	313.449	2.876	20	30		DFEDHN
C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000330305407	336146237	/nfs/dbraw/zinc/14/62/37/336146237.db2.gz	QQJHJBDKGGPBEZ-GFCCVEGCSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1	ZINC000330305407	336146238	/nfs/dbraw/zinc/14/62/38/336146238.db2.gz	QQJHJBDKGGPBEZ-GFCCVEGCSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000330305407	336146240	/nfs/dbraw/zinc/14/62/40/336146240.db2.gz	QQJHJBDKGGPBEZ-GFCCVEGCSA-N	0	3	314.393	2.719	20	30		DFEDHN
C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1	ZINC000330305407	336146241	/nfs/dbraw/zinc/14/62/41/336146241.db2.gz	QQJHJBDKGGPBEZ-GFCCVEGCSA-N	0	3	314.393	2.719	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@@H]2CCCCN2C2CC2)CC12CCCC2	ZINC000333404373	336203165	/nfs/dbraw/zinc/20/31/65/336203165.db2.gz	JDPVRQIGLKAMFF-MAUKXSAKSA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1=O	ZINC000352266707	336208505	/nfs/dbraw/zinc/20/85/05/336208505.db2.gz	XEBUCKQNOODGOE-YESZJQIVSA-N	0	3	314.429	2.609	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000352270315	336209117	/nfs/dbraw/zinc/20/91/17/336209117.db2.gz	FFHIUEZUHDMDPN-NUEKZKHPSA-N	0	3	302.418	2.513	20	30		DFEDHN
OCCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1	ZINC000352490932	336221786	/nfs/dbraw/zinc/22/17/86/336221786.db2.gz	MWKMDNGHYSMCQW-UHFFFAOYSA-N	0	3	313.319	2.641	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]2CC2CCCCC2)CCC1	ZINC000526135709	336231487	/nfs/dbraw/zinc/23/14/87/336231487.db2.gz	DGDBNRYPYSHKSD-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@@H]1C[C@H](CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCO1	ZINC000352739704	336233181	/nfs/dbraw/zinc/23/31/81/336233181.db2.gz	NMGODVLYKPWEHD-LMMKCTJWSA-N	0	3	313.445	2.684	20	30		DFEDHN
COC[C@H](C)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000526991773	336278137	/nfs/dbraw/zinc/27/81/37/336278137.db2.gz	IFMDMPVOIUJTRU-PBHICJAKSA-N	0	3	321.852	2.805	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CCC23CCC3)c(OC)c1	ZINC000353003811	336381726	/nfs/dbraw/zinc/38/17/26/336381726.db2.gz	SGAMTJJQBBXBDC-INIZCTEOSA-N	0	3	317.429	2.792	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1	ZINC000563934603	336386019	/nfs/dbraw/zinc/38/60/19/336386019.db2.gz	XQFCSGPQFMIORP-GOSISDBHSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000353054751	336391679	/nfs/dbraw/zinc/39/16/79/336391679.db2.gz	BLBDZOGTMWQKGA-QGZVFWFLSA-N	0	3	303.450	2.815	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000353156868	336404988	/nfs/dbraw/zinc/40/49/88/336404988.db2.gz	SXPVRUPDIWFRJS-NVXWUHKLSA-N	0	3	309.381	2.521	20	30		DFEDHN
N#CCCCOc1cccc(CNCCOC(F)(F)F)c1	ZINC000353210219	336406709	/nfs/dbraw/zinc/40/67/09/336406709.db2.gz	PHYONXLIUXKJQX-UHFFFAOYSA-N	0	3	302.296	2.995	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)C1CCN(Cc2cccnc2)CC1	ZINC000367166330	336453448	/nfs/dbraw/zinc/45/34/48/336453448.db2.gz	ZESIUMJGKISPRA-KRWDZBQOSA-N	0	3	301.434	2.765	20	30		DFEDHN
N#C[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@@H]1c1ccccc1	ZINC000355896359	336527210	/nfs/dbraw/zinc/52/72/10/336527210.db2.gz	YDKPXKYHQUGHJH-PKOBYXMFSA-N	0	3	323.440	2.627	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C1CC1	ZINC000357568191	336591013	/nfs/dbraw/zinc/59/10/13/336591013.db2.gz	KAYBXTSDYBSEPY-QGZVFWFLSA-N	0	3	301.434	2.519	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000359222591	336663439	/nfs/dbraw/zinc/66/34/39/336663439.db2.gz	IAUDWSCUEDGVGD-CQSZACIVSA-N	0	3	311.470	2.530	20	30		DFEDHN
C=CCCOCCN[C@H]1CCN(C(C)=O)Cc2ccccc21	ZINC000361921407	336778028	/nfs/dbraw/zinc/77/80/28/336778028.db2.gz	HVGBEFFNUQSXLT-SFHVURJKSA-N	0	3	302.418	2.662	20	30		DFEDHN
C=CCCCCCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000372578966	336934606	/nfs/dbraw/zinc/93/46/06/336934606.db2.gz	VBQKCBFFGWYXRQ-RVKKMQEKSA-N	0	3	308.466	2.724	20	30		DFEDHN
N#CC1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCC1	ZINC000374206425	336983779	/nfs/dbraw/zinc/98/37/79/336983779.db2.gz	SNETXVQAFQPUPR-UHFFFAOYSA-N	0	3	303.450	2.843	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1	ZINC000375020224	337001734	/nfs/dbraw/zinc/00/17/34/337001734.db2.gz	MMZJUFJIKDHJFX-PBHICJAKSA-N	0	3	315.417	2.809	20	30		DFEDHN
CN(C)c1noc(C2CCN(CCCC(C)(C)C#N)CC2)n1	ZINC000375270322	337007118	/nfs/dbraw/zinc/00/71/18/337007118.db2.gz	RDNMVZBEYLCZTR-UHFFFAOYSA-N	0	3	305.426	2.645	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(c3ccc(OC)cc3)CC2)C1=O	ZINC000375613730	337014590	/nfs/dbraw/zinc/01/45/90/337014590.db2.gz	SEVLRUUIGSCCPV-GOSISDBHSA-N	0	3	314.429	2.662	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)NCCCC#N)[C@H]1c1ccccc1	ZINC000375752319	337018671	/nfs/dbraw/zinc/01/86/71/337018671.db2.gz	CGTPQLATGGUYBW-IAGOWNOFSA-N	0	3	314.433	2.672	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000376251740	337029990	/nfs/dbraw/zinc/02/99/90/337029990.db2.gz	FJPSLBSOIWWIHX-SJLPKXTDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1	ZINC000376699227	337039721	/nfs/dbraw/zinc/03/97/21/337039721.db2.gz	HDIYLRJBIPENPL-QKNQBKEWSA-N	0	3	322.452	2.566	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCOCC[C@H]1C)C(C)C	ZINC000376830852	337042306	/nfs/dbraw/zinc/04/23/06/337042306.db2.gz	FPVGHYWTASKMHJ-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(CC(C)C)CC1	ZINC000377105751	337046969	/nfs/dbraw/zinc/04/69/69/337046969.db2.gz	XFMRTMSQUCWYKT-IAGOWNOFSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(c3cccnc3)CCCC2)CC1	ZINC000377322175	337050460	/nfs/dbraw/zinc/05/04/60/337050460.db2.gz	MXDLGYVYQJLFQB-UHFFFAOYSA-N	0	3	313.445	2.660	20	30		DFEDHN
C=CCN(C(=O)c1cccnc1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377571811	337055362	/nfs/dbraw/zinc/05/53/62/337055362.db2.gz	FGTXPLYSPBUJEK-IBGZPJMESA-N	0	3	321.424	2.984	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1	ZINC000378251569	337068781	/nfs/dbraw/zinc/06/87/81/337068781.db2.gz	RTIWASZEJKSVOC-CVEARBPZSA-N	0	3	316.470	2.764	20	30		DFEDHN
C#CCCCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000378406468	337072119	/nfs/dbraw/zinc/07/21/19/337072119.db2.gz	SKDDGRMSDBQOMQ-SFHVURJKSA-N	0	3	313.445	2.603	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3CCCC3)C2)c1C	ZINC000170745071	337082939	/nfs/dbraw/zinc/08/29/39/337082939.db2.gz	HWFFXXIGJGMCRY-KRWDZBQOSA-N	0	3	315.461	2.644	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1	ZINC000360076899	337084943	/nfs/dbraw/zinc/08/49/43/337084943.db2.gz	RRRIOUZLHHVISL-WBVHZDCISA-N	0	3	324.428	2.776	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC2CCN(CC=C)CC2)cc1	ZINC000171719533	337088872	/nfs/dbraw/zinc/08/88/72/337088872.db2.gz	CTZLFWILHFNBRB-UHFFFAOYSA-N	0	3	300.402	2.632	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n(C3CC3)c2C)CC1	ZINC000171721769	337088948	/nfs/dbraw/zinc/08/89/48/337088948.db2.gz	CMTAAJLIWXMAAO-UHFFFAOYSA-N	0	3	301.434	2.820	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1	ZINC000172067848	337089569	/nfs/dbraw/zinc/08/95/69/337089569.db2.gz	XDCKNHCAZZERFJ-ZNOIYHFQSA-N	0	3	308.381	2.725	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](O)C12CCCC2	ZINC000582684074	337122846	/nfs/dbraw/zinc/12/28/46/337122846.db2.gz	DEDWUYMBNMVRPC-DLBZAZTESA-N	0	3	312.413	2.665	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1	ZINC000172908526	337132325	/nfs/dbraw/zinc/13/23/25/337132325.db2.gz	JEMFRHSYIATOCH-GOEBONIOSA-N	0	3	320.383	2.835	20	30		DFEDHN
C#CCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000174110498	337139304	/nfs/dbraw/zinc/13/93/04/337139304.db2.gz	LYUDAQDHMMCFED-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)c2cccc(SCC#N)c2)C1	ZINC000176029843	337150153	/nfs/dbraw/zinc/15/01/53/337150153.db2.gz	QDANNAWWSXGODQ-AWEZNQCLSA-N	0	3	303.431	2.516	20	30		DFEDHN
C#CCCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000179978220	337172956	/nfs/dbraw/zinc/17/29/56/337172956.db2.gz	QQZYSTUUBCBRMY-CALCHBBNSA-N	0	3	320.477	2.528	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1	ZINC000180893713	337178451	/nfs/dbraw/zinc/17/84/51/337178451.db2.gz	CQBANAGKWQHUMO-GJZGRUSLSA-N	0	3	307.397	2.537	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN(C)CC(=C)C)c(OC)c1	ZINC000181312346	337181189	/nfs/dbraw/zinc/18/11/89/337181189.db2.gz	JRYRKIAYIPSFMY-INIZCTEOSA-N	0	3	305.418	2.671	20	30		DFEDHN
CC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(C)cc1	ZINC000182410761	337188348	/nfs/dbraw/zinc/18/83/48/337188348.db2.gz	RCOFJJGPPDBNQW-QGZVFWFLSA-N	0	3	312.417	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@H](CCC)C2)CC1	ZINC000183677538	337192957	/nfs/dbraw/zinc/19/29/57/337192957.db2.gz	QVKCADCVRNWYGM-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
C#CCCCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000184625686	337199502	/nfs/dbraw/zinc/19/95/02/337199502.db2.gz	OGHFTFOQFHFUAM-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC#CCCCC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000185171563	337202465	/nfs/dbraw/zinc/20/24/65/337202465.db2.gz	NLNJFSDYLBYVCE-UHFFFAOYSA-N	0	3	308.491	2.658	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@H]1COc2ccccc21	ZINC000185625757	337249595	/nfs/dbraw/zinc/24/95/95/337249595.db2.gz	WZSCGAMKSHRDNO-HOCLYGCPSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@H](C)CN2CCCCCC2)s1	ZINC000186330895	337255415	/nfs/dbraw/zinc/25/54/15/337255415.db2.gz	LMCDYEPXMYLUDD-CYBMUJFWSA-N	0	3	322.478	2.735	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(CC)CC	ZINC000187047168	337261355	/nfs/dbraw/zinc/26/13/55/337261355.db2.gz	OTZJRXZTNWVFBF-UXLLHSPISA-N	0	3	323.481	2.614	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1	ZINC000188410655	337273160	/nfs/dbraw/zinc/27/31/60/337273160.db2.gz	NUEIVIPPBGYJEI-SFHVURJKSA-N	0	3	309.413	2.950	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1	ZINC000188403512	337273205	/nfs/dbraw/zinc/27/32/05/337273205.db2.gz	HDSBCTXDGVZGIS-DOTOQJQBSA-N	0	3	310.401	2.839	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1	ZINC000188403536	337273228	/nfs/dbraw/zinc/27/32/28/337273228.db2.gz	HDSBCTXDGVZGIS-NVXWUHKLSA-N	0	3	310.401	2.839	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000583245031	337286167	/nfs/dbraw/zinc/28/61/67/337286167.db2.gz	OQVFZPPAJPYSMI-WFEDQXDTSA-N	0	3	311.429	2.735	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C)nc2OCCC)CC1	ZINC000191365854	337296318	/nfs/dbraw/zinc/29/63/18/337296318.db2.gz	YCPLLIIKANVCEG-UHFFFAOYSA-N	0	3	317.433	2.559	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000191756432	337299900	/nfs/dbraw/zinc/29/99/00/337299900.db2.gz	JOGDZDGVNUVSMT-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCC(=O)Nc1cccnc1	ZINC000584406223	337320296	/nfs/dbraw/zinc/32/02/96/337320296.db2.gz	WANGAWBZJWLAPK-GOSISDBHSA-N	0	3	320.396	2.949	20	30		DFEDHN
COc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1OCCCC#N	ZINC000584590269	337368595	/nfs/dbraw/zinc/36/85/95/337368595.db2.gz	SYVRKFTYZFAUPP-DZGCQCFKSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@H]2CNCCC2(F)F)CCCC1(C)C	ZINC000418749948	337395436	/nfs/dbraw/zinc/39/54/36/337395436.db2.gz	CYCWNUQSNKTSIL-STQMWFEESA-N	0	3	315.408	2.760	20	30		DFEDHN
CCN1CCN(c2ccccc2CN2CCC(C#N)CC2)CC1	ZINC000123747801	337401006	/nfs/dbraw/zinc/40/10/06/337401006.db2.gz	HTGCMILBRYEOCR-UHFFFAOYSA-N	0	3	312.461	2.564	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000128664096	337426362	/nfs/dbraw/zinc/42/63/62/337426362.db2.gz	VMPUPUWTNKIHCI-CQSZACIVSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc3[nH]ccc3c2)CC1	ZINC000270862755	337642607	/nfs/dbraw/zinc/64/26/07/337642607.db2.gz	RGBBQNDYYHIUEC-GQCTYLIASA-N	0	3	309.413	2.948	20	30		DFEDHN
CCc1cc(Br)ccc1NC(=O)[C@@H](N)CCCC#N	ZINC000424089518	337732371	/nfs/dbraw/zinc/73/23/71/337732371.db2.gz	LACFWIZZMPJOFA-LBPRGKRZSA-N	0	3	324.222	2.971	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H](N)CCCC#N)C1	ZINC000424127500	337749894	/nfs/dbraw/zinc/74/98/94/337749894.db2.gz	PYLQIYNHNPBWHN-WQVCFCJDSA-N	0	3	303.381	2.756	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	ZINC000424164886	337788752	/nfs/dbraw/zinc/78/87/52/337788752.db2.gz	AJZJXDSDVKWDNN-XWTMOSNGSA-N	0	3	311.429	2.802	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1snnc1CC)C(C)C	ZINC000046049241	337831687	/nfs/dbraw/zinc/83/16/87/337831687.db2.gz	UUSRERAJZZTXMF-CQSZACIVSA-N	0	3	322.478	2.529	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000424650280	337942902	/nfs/dbraw/zinc/94/29/02/337942902.db2.gz	UKWJTYSHMRKOLE-HZPDHXFCSA-N	0	3	322.493	2.937	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)CSCC#N)N2CCCC2)cc1	ZINC000061502868	337943205	/nfs/dbraw/zinc/94/32/05/337943205.db2.gz	NMYGPMHTWFKRMV-MRXNPFEDSA-N	0	3	317.458	2.505	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000424722200	337955474	/nfs/dbraw/zinc/95/54/74/337955474.db2.gz	NHRGOQBUILYIRY-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
CCC1(CC)[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1OC	ZINC000429311867	338077453	/nfs/dbraw/zinc/07/74/53/338077453.db2.gz	VRXLLXKGYOSGRJ-ANQUJSFKSA-N	0	3	323.481	2.613	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccn(-c2ccc(F)cc2)n1	ZINC000429704617	338087854	/nfs/dbraw/zinc/08/78/54/338087854.db2.gz	ARARPFOMLIZVDV-UHFFFAOYSA-N	0	3	316.424	2.951	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](O)C[C@@H]2C)ccc1OC	ZINC000430167114	338099639	/nfs/dbraw/zinc/09/96/39/338099639.db2.gz	PEEBSRKZOHPBLH-HOCLYGCPSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1Cl	ZINC000433176785	338184236	/nfs/dbraw/zinc/18/42/36/338184236.db2.gz	CETPOONFZDHGLO-ZDUSSCGKSA-N	0	3	308.809	2.663	20	30		DFEDHN
COC[C@H](NCc1cccc(OCCCC#N)c1)[C@H]1CCCO1	ZINC000433208482	338185842	/nfs/dbraw/zinc/18/58/42/338185842.db2.gz	NMLPSAUDNHRRSL-ZWKOTPCHSA-N	0	3	318.417	2.653	20	30		DFEDHN
CN(C)c1ncccc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000433225736	338186677	/nfs/dbraw/zinc/18/66/77/338186677.db2.gz	JTSFWNLJCBQPMS-MRXNPFEDSA-N	0	3	322.412	2.536	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(C[C@H]1CCOC1)C1CC1	ZINC000433304067	338190688	/nfs/dbraw/zinc/19/06/88/338190688.db2.gz	MHELGRNTAJWEGL-IAGOWNOFSA-N	0	3	312.413	2.786	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000433368042	338193811	/nfs/dbraw/zinc/19/38/11/338193811.db2.gz	SJNJRAVSXVXJCL-UAGQMJEPSA-N	0	3	300.402	2.521	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCC[C@@H]1O	ZINC000433378170	338194313	/nfs/dbraw/zinc/19/43/13/338194313.db2.gz	PKIVWNOXOZLECF-JENIJYKNSA-N	0	3	314.429	2.816	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C(C)C)C(C)C	ZINC000433797747	338202325	/nfs/dbraw/zinc/20/23/25/338202325.db2.gz	BLSISBWIBAQCNG-RCCFBDPRSA-N	0	3	322.493	2.862	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCCCC1	ZINC000435924963	338253086	/nfs/dbraw/zinc/25/30/86/338253086.db2.gz	CQBRAEUGHSLCIX-QGZVFWFLSA-N	0	3	314.429	2.960	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C	ZINC000436724610	338284311	/nfs/dbraw/zinc/28/43/11/338284311.db2.gz	ORSVVUKEQMEPBK-DOTOQJQBSA-N	0	3	316.445	2.877	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1	ZINC000438228855	338337297	/nfs/dbraw/zinc/33/72/97/338337297.db2.gz	UFQXHRSPJICTGQ-SECBINFHSA-N	0	3	315.295	2.534	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000448605606	338349160	/nfs/dbraw/zinc/34/91/60/338349160.db2.gz	LYVPRWFUCVUMNQ-KURKYZTESA-N	0	3	316.445	2.559	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000440256872	338384716	/nfs/dbraw/zinc/38/47/16/338384716.db2.gz	DNBDLKADVGVRNQ-DOTOQJQBSA-N	0	3	314.433	2.767	20	30		DFEDHN
COc1cc2c(cc1CNCC1CCC(C#N)CC1)OCO2	ZINC000441360335	338410337	/nfs/dbraw/zinc/41/03/37/338410337.db2.gz	RSVWYVWSROGDFP-UHFFFAOYSA-N	0	3	302.374	2.843	20	30		DFEDHN
COCC[C@@]1(NCc2ccccc2C(C)(C)C#N)CCOC1	ZINC000447395215	338551440	/nfs/dbraw/zinc/55/14/40/338551440.db2.gz	NIIIIXDRKDWCLC-GOSISDBHSA-N	0	3	302.418	2.773	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CCCO[C@H]2C=C)cc(OC)c1O	ZINC000449547566	338636569	/nfs/dbraw/zinc/63/65/69/338636569.db2.gz	ISINUYGPKZPQGE-CVEARBPZSA-N	0	3	303.402	2.953	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449694741	338646663	/nfs/dbraw/zinc/64/66/63/338646663.db2.gz	CHILFSSRWLIMJZ-DOMZBBRYSA-N	0	3	306.406	2.631	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000449889732	338657399	/nfs/dbraw/zinc/65/73/99/338657399.db2.gz	DTRBMCOXXNWFMQ-BZNIZROVSA-N	0	3	321.808	2.769	20	30		DFEDHN
C=CCOCCN[C@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451305393	338728957	/nfs/dbraw/zinc/72/89/57/338728957.db2.gz	KFWCUYXLKYEBEU-CQSZACIVSA-N	0	3	303.324	2.921	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1c(C)cc(C)cc1C	ZINC000451595204	338739910	/nfs/dbraw/zinc/73/99/10/338739910.db2.gz	CSHAVLCVSTXERQ-OAGGEKHMSA-N	0	3	302.418	2.872	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(Cl)cc1C	ZINC000451605968	338740279	/nfs/dbraw/zinc/74/02/79/338740279.db2.gz	LXEDSPNBQQUYRF-DFBGVHRSSA-N	0	3	308.809	2.909	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N1c2ccccc2CC[C@H]1C	ZINC000451677566	338741695	/nfs/dbraw/zinc/74/16/95/338741695.db2.gz	GPVNAPGRAULXPC-KYJSFNMBSA-N	0	3	314.429	2.678	20	30		DFEDHN
C=CCn1c(N2CCN([C@@H](C)CC)CC2)nnc1C(C)(C)C	ZINC000453433104	338841872	/nfs/dbraw/zinc/84/18/72/338841872.db2.gz	FXNZMLSSIJMXRV-AWEZNQCLSA-N	0	3	305.470	2.682	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456723193	338938042	/nfs/dbraw/zinc/93/80/42/338938042.db2.gz	ROJMTWCHHYWVOF-GOSISDBHSA-N	0	3	310.482	2.673	20	30		DFEDHN
C=CCC[C@H](CO)NC(=O)c1oc2ccccc2c1CN(C)C	ZINC000456766932	338939664	/nfs/dbraw/zinc/93/96/64/338939664.db2.gz	IZQCKQFSUYUTEF-CYBMUJFWSA-N	0	3	316.401	2.551	20	30		DFEDHN
N#C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccc(F)cc1	ZINC000457418668	338962706	/nfs/dbraw/zinc/96/27/06/338962706.db2.gz	QNCKQRLEJGFZOL-QGZVFWFLSA-N	0	3	315.392	2.771	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](c1ccccc1)N(C)C	ZINC000458779655	339005246	/nfs/dbraw/zinc/00/52/46/339005246.db2.gz	RRVQRHHJZAQPHO-GDBMZVCRSA-N	0	3	316.449	2.869	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@H](c1ccccc1)N(C)C	ZINC000458779668	339005274	/nfs/dbraw/zinc/00/52/74/339005274.db2.gz	RRVQRHHJZAQPHO-GOEBONIOSA-N	0	3	316.449	2.869	20	30		DFEDHN
C=C(C)CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000459026250	339011479	/nfs/dbraw/zinc/01/14/79/339011479.db2.gz	RQAPXIUMEPHQIX-UHFFFAOYSA-N	0	3	305.422	2.852	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)NCC(C)(C)CC#N	ZINC000459250729	339017732	/nfs/dbraw/zinc/01/77/32/339017732.db2.gz	AGJKVGGKPNGOIJ-UHFFFAOYSA-N	0	3	322.478	2.761	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1	ZINC000459483281	339032110	/nfs/dbraw/zinc/03/21/10/339032110.db2.gz	MQBKPLAUFVLKMO-QMCVQRASSA-N	0	3	307.459	2.851	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000466034879	339191360	/nfs/dbraw/zinc/19/13/60/339191360.db2.gz	FREOXINIJMNJPK-FUHWJXTLSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCCCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000472768285	339377153	/nfs/dbraw/zinc/37/71/53/339377153.db2.gz	IWPDTJOOFFTSJU-UHFFFAOYSA-N	0	3	315.461	2.741	20	30		DFEDHN
C=CCn1cccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000488579182	339788376	/nfs/dbraw/zinc/78/83/76/339788376.db2.gz	PSNBGNXUZKRUCU-QGZVFWFLSA-N	0	3	311.429	2.577	20	30		DFEDHN
C#C[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Br)cc1	ZINC000491393404	339860468	/nfs/dbraw/zinc/86/04/68/339860468.db2.gz	HMMVERVKGCSLNL-UONOGXRCSA-N	0	3	323.234	2.580	20	30		DFEDHN
C[C@@H](C#N)CSc1ccccc1NC(=O)/C=C\CN(C)C	ZINC000491870379	339885607	/nfs/dbraw/zinc/88/56/07/339885607.db2.gz	OSARRCNPJPBRPQ-XURPKSDJSA-N	0	3	303.431	2.995	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1cncs1)C(C)C	ZINC000493064593	339916340	/nfs/dbraw/zinc/91/63/40/339916340.db2.gz	SMETWYONDXIUNX-XITLMJRVSA-N	0	3	319.474	2.971	20	30		DFEDHN
N#CCC1(CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1	ZINC000496182920	340000008	/nfs/dbraw/zinc/00/00/08/340000008.db2.gz	YHWOZPJQZWJPGK-INIZCTEOSA-N	0	3	313.401	2.681	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C	ZINC000496220708	340000864	/nfs/dbraw/zinc/00/08/64/340000864.db2.gz	ZPDHOFYNEASJDE-CRWXNKLISA-N	0	3	323.437	2.544	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(CC#N)cc2)C1	ZINC000496310300	340002825	/nfs/dbraw/zinc/00/28/25/340002825.db2.gz	VIKXPYNLCHWLKQ-MRXNPFEDSA-N	0	3	315.417	2.852	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1	ZINC000496416803	340005030	/nfs/dbraw/zinc/00/50/30/340005030.db2.gz	JVGKYGVRMUTDLG-ZFWWWQNUSA-N	0	3	321.421	2.586	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496490442	340006583	/nfs/dbraw/zinc/00/65/83/340006583.db2.gz	ZJIBLXKHIHKXOF-MAZHCROVSA-N	0	3	302.374	2.637	20	30		DFEDHN
C=CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000496639489	340009536	/nfs/dbraw/zinc/00/95/36/340009536.db2.gz	DDTCBINSUNCLEE-MRXNPFEDSA-N	0	3	324.465	2.645	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC[C@H](C#N)CCC#N	ZINC000496702615	340010852	/nfs/dbraw/zinc/01/08/52/340010852.db2.gz	PKDQOGOFIDFDKM-ILXRZTDVSA-N	0	3	320.437	2.665	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1	ZINC000496727272	340011413	/nfs/dbraw/zinc/01/14/13/340011413.db2.gz	XZHXREFZFUNZRC-OAHLLOKOSA-N	0	3	324.465	2.789	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CCC(C)(C#N)CC2)C1	ZINC000496784513	340012869	/nfs/dbraw/zinc/01/28/69/340012869.db2.gz	JUFPOJSABMPTJW-RDTXWAMCSA-N	0	3	319.449	2.869	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000507220927	340214214	/nfs/dbraw/zinc/21/42/14/340214214.db2.gz	BSDGERYLCLOAKY-YCPHGPKFSA-N	0	3	317.458	2.663	20	30		DFEDHN
CCN(CCOC)c1cccc(CN2CCC(CC#N)CC2)n1	ZINC000517059561	340462888	/nfs/dbraw/zinc/46/28/88/340462888.db2.gz	VMGYHBYDNQTOAP-UHFFFAOYSA-N	0	3	316.449	2.680	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](F)C1)C(C)C	ZINC000572528963	340676152	/nfs/dbraw/zinc/67/61/52/340676152.db2.gz	DAVQUVWMSACRFY-CVEARBPZSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1cscn1)C(C)C	ZINC000127407418	340850450	/nfs/dbraw/zinc/85/04/50/340850450.db2.gz	FIHGKOISQSTTHJ-HNNXBMFYSA-N	0	3	322.478	2.641	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC(CC#N)CC2)c1	ZINC000543808670	341060054	/nfs/dbraw/zinc/06/00/54/341060054.db2.gz	VATKQVFPLKSWPZ-QGZVFWFLSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CCc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1	ZINC000544123642	341071145	/nfs/dbraw/zinc/07/11/45/341071145.db2.gz	OFZYUOHZCALZTI-GOSISDBHSA-N	0	3	314.429	2.770	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N([C@H](C)C2CC2)C2CC2)CC1	ZINC000074129995	341129449	/nfs/dbraw/zinc/12/94/49/341129449.db2.gz	YADWIFQANNYJFJ-CQSZACIVSA-N	0	3	305.466	2.999	20	30		DFEDHN
N#CC(C(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccncn1	ZINC000546153630	341154941	/nfs/dbraw/zinc/15/49/41/341154941.db2.gz	OSLUXVZWUUZVMD-VIFPVBQESA-N	0	3	313.267	2.781	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OC[C@H]2CCCO2)cc1	ZINC000134509798	341216724	/nfs/dbraw/zinc/21/67/24/341216724.db2.gz	WHUSPUAGNFCJNB-GOSISDBHSA-N	0	3	305.418	2.927	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c(C)c1	ZINC000548926180	341281169	/nfs/dbraw/zinc/28/11/69/341281169.db2.gz	NQSFHUAAYVRTHN-IBGZPJMESA-N	0	3	324.424	2.899	20	30		DFEDHN
C=C(C)Cn1c(N2CCN(CC3CC3)CC2)nnc1C(C)(C)C	ZINC000549697569	341300616	/nfs/dbraw/zinc/30/06/16/341300616.db2.gz	JBYDUGGNDOGVRA-UHFFFAOYSA-N	0	3	317.481	2.684	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@@H](c1cccs1)N1CCCC1	ZINC000551357445	341339393	/nfs/dbraw/zinc/33/93/93/341339393.db2.gz	DTTWBKDSAZIGTB-CABCVRRESA-N	0	3	302.447	2.918	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000246795293	341357046	/nfs/dbraw/zinc/35/70/46/341357046.db2.gz	PFLNKVJRIWZKEZ-PKOBYXMFSA-N	0	3	313.445	2.748	20	30		DFEDHN
CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000566092982	341547549	/nfs/dbraw/zinc/54/75/49/341547549.db2.gz	UNTVFMRAGVHXJY-ZFWWWQNUSA-N	0	3	303.406	2.672	20	30		DFEDHN
Cc1ccc(NCCCNC[C@@H](C#N)CCC#N)c([N+](=O)[O-])c1	ZINC000566884112	341570810	/nfs/dbraw/zinc/57/08/10/341570810.db2.gz	CZKXSZFEVIFPDG-CQSZACIVSA-N	0	3	315.377	2.738	20	30		DFEDHN
Cc1ccc(-c2nsc(NC(=O)[C@@H](N)CCCC#N)n2)s1	ZINC000567500350	341610656	/nfs/dbraw/zinc/61/06/56/341610656.db2.gz	XMXFFYVXGOUDFH-VIFPVBQESA-N	0	3	321.431	2.535	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(OC)CCCC1)C(C)C	ZINC000567993606	341644438	/nfs/dbraw/zinc/64/44/38/341644438.db2.gz	OXMFOPAFYJOGOT-MRXNPFEDSA-N	0	3	308.466	2.760	20	30		DFEDHN
Cc1ccccc1CNC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000576298199	341839212	/nfs/dbraw/zinc/83/92/12/341839212.db2.gz	LHOHYZQRJUQBBA-GOSISDBHSA-N	0	3	310.397	2.591	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	ZINC000424111733	518196316	/nfs/dbraw/zinc/19/63/16/518196316.db2.gz	HGKQPHTZDCYYFN-HNNXBMFYSA-N	0	3	319.836	2.899	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2c(C#N)cccc2C#N)C[C@H](C)O1	ZINC000302465424	534463432	/nfs/dbraw/zinc/46/34/32/534463432.db2.gz	SKXDQSQDLBZXMI-GASCZTMLSA-N	0	3	312.417	2.731	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000366390233	523464095	/nfs/dbraw/zinc/46/40/95/523464095.db2.gz	UZJZJQIAVIDENP-WDYCEAGBSA-N	0	3	313.445	2.662	20	30		DFEDHN
Cn1cc(CNCCc2cc(C(F)(F)F)ccn2)cc1C#N	ZINC000292989678	534733531	/nfs/dbraw/zinc/73/35/31/534733531.db2.gz	NWJXRPPIAAPFFT-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCC(C(F)F)CC1	ZINC000307878979	534818304	/nfs/dbraw/zinc/81/83/04/534818304.db2.gz	LSGXJWIQVHUXEE-UHFFFAOYSA-N	0	3	307.344	2.864	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000296502581	528066018	/nfs/dbraw/zinc/06/60/18/528066018.db2.gz	ZFTFSSOPOISNDF-JKSUJKDBSA-N	0	3	315.417	2.678	20	30		DFEDHN
CC(C)[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1	ZINC000072837239	535261874	/nfs/dbraw/zinc/26/18/74/535261874.db2.gz	VNJKWCRUBLQLDL-INIZCTEOSA-N	0	3	317.458	2.960	20	30		DFEDHN
COCc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1	ZINC000680934278	545566748	/nfs/dbraw/zinc/56/67/48/545566748.db2.gz	MLCZJBMYJBZAAM-CQSZACIVSA-N	0	3	320.352	2.605	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000681515852	545659049	/nfs/dbraw/zinc/65/90/49/545659049.db2.gz	VLBDKLCUUAVEGS-SFHVURJKSA-N	0	3	313.445	2.611	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000681519427	545660438	/nfs/dbraw/zinc/66/04/38/545660438.db2.gz	OLPAIUVDDZZBHC-SFHVURJKSA-N	0	3	313.445	2.926	20	30		DFEDHN
C=CCCN1CCC[C@@H](c2nn(-c3ccccc3)cc2C(N)=O)C1	ZINC000682742062	545908916	/nfs/dbraw/zinc/90/89/16/545908916.db2.gz	HDBRDRDBQWVMAN-OAHLLOKOSA-N	0	3	324.428	2.727	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCN(c2cccc3cnccc32)C[C@H]1C	ZINC000683679935	546074819	/nfs/dbraw/zinc/07/48/19/546074819.db2.gz	WARSLRANOQEBIJ-BEFAXECRSA-N	0	3	311.429	2.682	20	30		DFEDHN
CCC#C[C@@H](C)N(C)C[C@@H]1C[C@H](F)CN1Cc1cc(C)no1	ZINC000684206914	546172677	/nfs/dbraw/zinc/17/26/77/546172677.db2.gz	NKYANEOCBFLJNI-PMPSAXMXSA-N	0	3	307.413	2.629	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1cccc(-c2nnn[n-]2)c1	ZINC000735408182	598865813	/nfs/dbraw/zinc/86/58/13/598865813.db2.gz	HEZAMGDQYPMAAX-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1cccc(-c2nnn[n-]2)c1	ZINC000735408182	598865815	/nfs/dbraw/zinc/86/58/15/598865815.db2.gz	HEZAMGDQYPMAAX-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1cccc(-c2nn[n-]n2)c1	ZINC000735408182	598865817	/nfs/dbraw/zinc/86/58/17/598865817.db2.gz	HEZAMGDQYPMAAX-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1cccc(-c2nn[n-]n2)c1	ZINC000735408182	598865819	/nfs/dbraw/zinc/86/58/19/598865819.db2.gz	HEZAMGDQYPMAAX-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1	ZINC000735410228	598704359	/nfs/dbraw/zinc/70/43/59/598704359.db2.gz	XTJSVXSPRPMKQZ-UHFFFAOYSA-N	0	3	308.389	2.517	20	30		DFEDHN
C=CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1	ZINC000735410228	598704362	/nfs/dbraw/zinc/70/43/62/598704362.db2.gz	XTJSVXSPRPMKQZ-UHFFFAOYSA-N	0	3	308.389	2.517	20	30		DFEDHN
C=CC[N@@H+](CCCSC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819743747	599566166	/nfs/dbraw/zinc/56/61/66/599566166.db2.gz	PRAKDCZMEXZWRT-UHFFFAOYSA-N	0	3	303.435	2.608	20	30		DFEDHN
C=CC[N@H+](CCCSC)Cc1cccc(-c2nnn[n-]2)c1	ZINC000819743747	599566167	/nfs/dbraw/zinc/56/61/67/599566167.db2.gz	PRAKDCZMEXZWRT-UHFFFAOYSA-N	0	3	303.435	2.608	20	30		DFEDHN
C=CC[N@@H+](CCCSC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819743747	599566169	/nfs/dbraw/zinc/56/61/69/599566169.db2.gz	PRAKDCZMEXZWRT-UHFFFAOYSA-N	0	3	303.435	2.608	20	30		DFEDHN
C=CC[N@H+](CCCSC)Cc1cccc(-c2nn[n-]n2)c1	ZINC000819743747	599566171	/nfs/dbraw/zinc/56/61/71/599566171.db2.gz	PRAKDCZMEXZWRT-UHFFFAOYSA-N	0	3	303.435	2.608	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000076734634	185037223	/nfs/dbraw/zinc/03/72/23/185037223.db2.gz	XEPJYABLBVAPKK-CQSZACIVSA-N	0	3	320.433	2.607	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1c2cccc(F)c2CC[C@@H]1C	ZINC000272862899	210256215	/nfs/dbraw/zinc/25/62/15/210256215.db2.gz	NFYMQNPTGLVQFH-BLLLJJGKSA-N	0	3	311.422	2.640	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1c2cccc(F)c2CC[C@H]1C	ZINC000272862912	210255605	/nfs/dbraw/zinc/25/56/05/210255605.db2.gz	NFYMQNPTGLVQFH-MLGOLLRUSA-N	0	3	311.422	2.640	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1	ZINC000181286457	199276248	/nfs/dbraw/zinc/27/62/48/199276248.db2.gz	RRSGKPMGHNIDPR-CABCVRRESA-N	0	3	307.397	2.537	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCOC(C)(C)C1	ZINC000278725904	214357405	/nfs/dbraw/zinc/35/74/05/214357405.db2.gz	AJRGUCZQPOFIRX-HNNXBMFYSA-N	0	3	301.434	2.662	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)o1)C1CCN(Cc2ccccc2)CC1	ZINC000310312643	231112663	/nfs/dbraw/zinc/11/26/63/231112663.db2.gz	FATAFWYHHBCVIR-UHFFFAOYSA-N	0	3	323.396	2.888	20	30		DFEDHN
Cc1cccc(CN(C)CCC(=O)Nc2ccccc2C#N)n1	ZINC000321567445	231203271	/nfs/dbraw/zinc/20/32/71/231203271.db2.gz	YTCTUNWBFVADAJ-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@H]1C	ZINC000596176798	398347862	/nfs/dbraw/zinc/34/78/62/398347862.db2.gz	JLQYRQFCNLVAHI-OLZOCXBDSA-N	0	3	302.378	2.694	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000065880409	398348595	/nfs/dbraw/zinc/34/85/95/398348595.db2.gz	XLTURUNPVOWQBZ-UHFFFAOYSA-N	0	3	324.428	2.555	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2occc2C)CC1	ZINC000488803037	398349276	/nfs/dbraw/zinc/34/92/76/398349276.db2.gz	OOGMHINWGXMOBG-UHFFFAOYSA-N	0	3	305.422	2.770	20	30		DFEDHN
N#CCCC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1	ZINC000591976366	398367305	/nfs/dbraw/zinc/36/73/05/398367305.db2.gz	SHJXYZKXKDKOIF-QGZVFWFLSA-N	0	3	318.465	2.729	20	30		DFEDHN
COCCOCc1ccc(CN2CCC(CC#N)CC2)cc1	ZINC000578698616	398375017	/nfs/dbraw/zinc/37/50/17/398375017.db2.gz	ASZLNMGCTUDRTJ-UHFFFAOYSA-N	0	3	302.418	2.975	20	30		DFEDHN
C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN(C2CCC2)C1	ZINC000579082973	398377806	/nfs/dbraw/zinc/37/78/06/398377806.db2.gz	RXCFWGMLBXYESX-PMPSAXMXSA-N	0	3	318.465	2.585	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596332957	398388442	/nfs/dbraw/zinc/38/84/42/398388442.db2.gz	SYQCRAOSKUHVCE-XHSDSOJGSA-N	0	3	306.454	2.632	20	30		DFEDHN
CC(C)Cn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1	ZINC000581072186	398387712	/nfs/dbraw/zinc/38/77/12/398387712.db2.gz	UOGLSIXOTWTQHF-LBPRGKRZSA-N	0	3	307.357	2.905	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1	ZINC000092538570	185324743	/nfs/dbraw/zinc/32/47/43/185324743.db2.gz	YAUNYSYSAFGKQA-UHFFFAOYSA-N	0	3	314.429	2.531	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1ccc(Cl)cc1	ZINC000681456166	545643129	/nfs/dbraw/zinc/64/31/29/545643129.db2.gz	TUQQUKFJRKHAJM-WMZOPIPTSA-N	0	3	318.848	2.928	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C#N)ccc1C)[C@H]1CCN(C)C1	ZINC000592224181	398404316	/nfs/dbraw/zinc/40/43/16/398404316.db2.gz	JRBWVKZYEKOCKL-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
CN(CCCNC(=O)Nc1cccc(C#N)n1)Cc1ccccc1	ZINC000584779320	398411337	/nfs/dbraw/zinc/41/13/37/398411337.db2.gz	YSPFDWDBBMGYDP-UHFFFAOYSA-N	0	3	323.400	2.597	20	30		DFEDHN
Cc1cc(NCC2CCN(Cc3ccncc3)CC2)cc(C#N)n1	ZINC000596437064	398412243	/nfs/dbraw/zinc/41/22/43/398412243.db2.gz	QUMVTMOZJXSTFQ-UHFFFAOYSA-N	0	3	321.428	2.981	20	30		DFEDHN
CN(CC1CN(C)C1)c1c(C#N)cnc2c(Cl)cccc21	ZINC000596454858	398416492	/nfs/dbraw/zinc/41/64/92/398416492.db2.gz	WCOWCVQESZSEPZ-UHFFFAOYSA-N	0	3	300.793	2.758	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(C#N)c1	ZINC000596476503	398423293	/nfs/dbraw/zinc/42/32/93/398423293.db2.gz	RVRGCGMLAOAKGX-CQSZACIVSA-N	0	3	300.406	2.800	20	30		DFEDHN
CCN(C(=O)N[C@H](CCC#N)c1ccccc1)[C@H]1CCN(C)C1	ZINC000596502647	398431929	/nfs/dbraw/zinc/43/19/29/398431929.db2.gz	HEIOVZBOLPBTCO-DLBZAZTESA-N	0	3	314.433	2.767	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000286740448	219139988	/nfs/dbraw/zinc/13/99/88/219139988.db2.gz	FDXMRYHVDOXQEX-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1	ZINC000026325939	398451889	/nfs/dbraw/zinc/45/18/89/398451889.db2.gz	SZBHHUHVCCSVOE-UHFFFAOYSA-N	0	3	324.409	2.952	20	30		DFEDHN
Cn1ncc2c1CC(C)(C)CN(CCc1ccc(C#N)cc1)C2	ZINC000596598041	398457504	/nfs/dbraw/zinc/45/75/04/398457504.db2.gz	INNMHNXUEISBQJ-UHFFFAOYSA-N	0	3	308.429	2.919	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	ZINC000592826387	398491501	/nfs/dbraw/zinc/49/15/01/398491501.db2.gz	QMOJQCWMYXTYKF-GXSJLCMTSA-N	0	3	301.777	2.954	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000596773636	398498826	/nfs/dbraw/zinc/49/88/26/398498826.db2.gz	YGMVBXZAZTXACG-GVDBMIGSSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000596773637	398499079	/nfs/dbraw/zinc/49/90/79/398499079.db2.gz	YGMVBXZAZTXACG-ULQDDVLXSA-N	0	3	318.465	2.729	20	30		DFEDHN
N#CCCCCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000588647297	398500345	/nfs/dbraw/zinc/50/03/45/398500345.db2.gz	KKWOZXUAFDMBKP-QGZVFWFLSA-N	0	3	321.465	2.564	20	30		DFEDHN
CC[C@H](C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592870524	398501702	/nfs/dbraw/zinc/50/17/02/398501702.db2.gz	HPQVJXIUFMNLQK-USXIJHARSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000030532685	398503589	/nfs/dbraw/zinc/50/35/89/398503589.db2.gz	MTXPCQDMQRCQHD-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000596839551	398511043	/nfs/dbraw/zinc/51/10/43/398511043.db2.gz	RNDFFOUKUVHULQ-CYBMUJFWSA-N	0	3	316.405	2.561	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c2cccnc12	ZINC000592956405	398511184	/nfs/dbraw/zinc/51/11/84/398511184.db2.gz	IZQGFJDRZUPQJL-GFCCVEGCSA-N	0	3	302.765	2.848	20	30		DFEDHN
C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(C#N)cc1	ZINC000031106277	398511225	/nfs/dbraw/zinc/51/12/25/398511225.db2.gz	JOIYPTPOPOXRDE-ZDUSSCGKSA-N	0	3	312.417	2.545	20	30		DFEDHN
COC[C@H]1CCCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000593024094	398523396	/nfs/dbraw/zinc/52/33/96/398523396.db2.gz	ACGXRBVIAVWFIR-AWEZNQCLSA-N	0	3	303.362	2.715	20	30		DFEDHN
C[C@]1(CO)CCC[C@@H]1NCc1cc(C#N)ccc1Br	ZINC000331129817	232605199	/nfs/dbraw/zinc/60/51/99/232605199.db2.gz	ALTHXEBBGRBZPF-LSDHHAIUSA-N	0	3	323.234	2.961	20	30		DFEDHN
CC[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000317001888	398533237	/nfs/dbraw/zinc/53/32/37/398533237.db2.gz	NQOSKIQQQJTCKT-GOEBONIOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000091556018	398536321	/nfs/dbraw/zinc/53/63/21/398536321.db2.gz	FRQARKCFQIJOBI-SJORKVTESA-N	0	3	321.509	2.796	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC(Cn2cnnc2)CC1	ZINC000593076832	398538548	/nfs/dbraw/zinc/53/85/48/398538548.db2.gz	TUXGXPSMSHHUMK-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
CNC(=O)CC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597013772	398547921	/nfs/dbraw/zinc/54/79/21/398547921.db2.gz	LWBLDKKFLNTMJZ-UHFFFAOYSA-N	0	3	311.429	2.590	20	30		DFEDHN
C[C@@H](CC#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000597006642	398545813	/nfs/dbraw/zinc/54/58/13/398545813.db2.gz	UPJYLCKYUCXPPG-UONOGXRCSA-N	0	3	305.447	2.626	20	30		DFEDHN
N#CC1(c2ccc(CN3CCS[C@H]4COCC[C@H]43)cc2)CC1	ZINC000597028411	398550660	/nfs/dbraw/zinc/55/06/60/398550660.db2.gz	YDOUWZBRDOYQNL-SJORKVTESA-N	0	3	314.454	2.948	20	30		DFEDHN
C=CCCOCC(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000589552888	398560482	/nfs/dbraw/zinc/56/04/82/398560482.db2.gz	ZTNDDSDAFVVBSN-UHFFFAOYSA-N	0	3	304.434	2.689	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(C)CCN1CCCCC1	ZINC000593152361	398559774	/nfs/dbraw/zinc/55/97/74/398559774.db2.gz	VMYNZVCMGLSASH-UHFFFAOYSA-N	0	3	316.405	2.516	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000589584555	398561326	/nfs/dbraw/zinc/56/13/26/398561326.db2.gz	ZUENWJLYOVTBKZ-HOCLYGCPSA-N	0	3	314.389	2.920	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC000589584298	398561536	/nfs/dbraw/zinc/56/15/36/398561536.db2.gz	OMZHTDZNWBEVDJ-ZFWWWQNUSA-N	0	3	306.413	2.874	20	30		DFEDHN
C[C@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1ccc(C#N)cc1	ZINC000593183801	398566959	/nfs/dbraw/zinc/56/69/59/398566959.db2.gz	JYRKTCVKLZUSLT-GUYCJALGSA-N	0	3	307.397	2.985	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H]1OC	ZINC000597085115	398564072	/nfs/dbraw/zinc/56/40/72/398564072.db2.gz	CGVCSQNIKMMMRY-ZACQAIPSSA-N	0	3	300.402	2.524	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000041573980	398569070	/nfs/dbraw/zinc/56/90/70/398569070.db2.gz	JNMROKMGOFVKGP-HNNXBMFYSA-N	0	3	308.341	2.542	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000589647746	398569098	/nfs/dbraw/zinc/56/90/98/398569098.db2.gz	XDVZVONKBBNWRW-IAGOWNOFSA-N	0	3	320.481	2.976	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000589647749	398569178	/nfs/dbraw/zinc/56/91/78/398569178.db2.gz	XDVZVONKBBNWRW-SJORKVTESA-N	0	3	320.481	2.976	20	30		DFEDHN
COCCO[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000597122327	398570498	/nfs/dbraw/zinc/57/04/98/398570498.db2.gz	XREFRFWCMFRWIA-GOSISDBHSA-N	0	3	314.429	2.869	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@H](n4ccnn4)C3)cc2)CC1	ZINC000597159770	398579600	/nfs/dbraw/zinc/57/96/00/398579600.db2.gz	ZIQVOPKCRUURNQ-KRWDZBQOSA-N	0	3	307.401	2.670	20	30		DFEDHN
CCc1oc(CNCCc2ccc(C#N)cc2)cc1C(=O)OC	ZINC000597177125	398582415	/nfs/dbraw/zinc/58/24/15/398582415.db2.gz	IITUHZDDWMHKDC-UHFFFAOYSA-N	0	3	312.369	2.833	20	30		DFEDHN
C=CCOCCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000348167542	398582911	/nfs/dbraw/zinc/58/29/11/398582911.db2.gz	JXDACCRMWUQWEG-NVXWUHKLSA-N	0	3	322.836	2.794	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN2CCC[C@H](CC#N)C2)cn1	ZINC000597177962	398582969	/nfs/dbraw/zinc/58/29/69/398582969.db2.gz	SLCVFRZZEMYZGD-HLLBOEOZSA-N	0	3	302.422	2.606	20	30		DFEDHN
CN(C)CCOc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cc1	ZINC000597198242	398588261	/nfs/dbraw/zinc/58/82/61/398588261.db2.gz	MFSJRMPUDCXAFR-AEFFLSMTSA-N	0	3	301.434	2.799	20	30		DFEDHN
CN(C)c1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000590005467	398589647	/nfs/dbraw/zinc/58/96/47/398589647.db2.gz	DTABAUNFBQNROO-GOSISDBHSA-N	0	3	322.412	2.673	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)C1O	ZINC000597204552	398590318	/nfs/dbraw/zinc/59/03/18/398590318.db2.gz	IRXHHYQIUVSKDG-HUUCEWRRSA-N	0	3	302.418	2.818	20	30		DFEDHN
CN1C[C@H]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000590052702	398592529	/nfs/dbraw/zinc/59/25/29/398592529.db2.gz	GSPKMHKFOBHQMZ-UKRRQHHQSA-N	0	3	309.335	2.713	20	30		DFEDHN
CC(C)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000043069013	398611799	/nfs/dbraw/zinc/61/17/99/398611799.db2.gz	OVFFWZQFZAVPJJ-HNNXBMFYSA-N	0	3	316.449	2.676	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CC2(C#N)CC2)[C@H]1c1ccccc1	ZINC000590374739	398617741	/nfs/dbraw/zinc/61/77/41/398617741.db2.gz	HCACYCBTTBEBBA-SJLPKXTDSA-N	0	3	311.429	2.880	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@@H](CCO)C2)c1	ZINC000093106256	398619846	/nfs/dbraw/zinc/61/98/46/398619846.db2.gz	HJSIGQXLJYKAHD-INIZCTEOSA-N	0	3	302.418	2.964	20	30		DFEDHN
CN1C[C@@H]2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)[C@@H]2C1	ZINC000590446554	398622656	/nfs/dbraw/zinc/62/26/56/398622656.db2.gz	WGOOGSDAWRPOTK-GXFFZTMASA-N	0	3	324.211	2.641	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1	ZINC000590476756	398624850	/nfs/dbraw/zinc/62/48/50/398624850.db2.gz	PILVQJGBFVSSIL-HXUWFJFHSA-N	0	3	318.420	2.863	20	30		DFEDHN
CN(C)CCN(C(=O)NCC1(C#N)CCCC1)C1CCCC1	ZINC000593429890	398626075	/nfs/dbraw/zinc/62/60/75/398626075.db2.gz	LHDAJQANAWPSQY-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3ccccn3)CC2)c(F)c1	ZINC000177856055	186193912	/nfs/dbraw/zinc/19/39/12/186193912.db2.gz	SBWADYVZHDINFS-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)/C=C/c1ccc(C#N)cc1	ZINC000287185347	219366860	/nfs/dbraw/zinc/36/68/60/219366860.db2.gz	HNCUEVIACKCEBY-MDZDMXLPSA-N	0	3	311.429	2.906	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)cc1C#N	ZINC000183865800	186225121	/nfs/dbraw/zinc/22/51/21/186225121.db2.gz	YBBAIZHWVHSBGJ-MRXNPFEDSA-N	0	3	316.401	2.542	20	30		DFEDHN
CCC(C#N)C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC	ZINC000593497477	398646458	/nfs/dbraw/zinc/64/64/58/398646458.db2.gz	YPXOYDDGZWMUIE-VHDGCEQUSA-N	0	3	306.406	2.507	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1	ZINC000093870135	398648538	/nfs/dbraw/zinc/64/85/38/398648538.db2.gz	RRRIOUZLHHVISL-NVXWUHKLSA-N	0	3	324.428	2.776	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc([C@@H]3CCOC3)c2)CC1	ZINC000270466571	186398986	/nfs/dbraw/zinc/39/89/86/186398986.db2.gz	BIPLSNRDVUWWGO-QGZVFWFLSA-N	0	3	314.429	2.571	20	30		DFEDHN
CCNC(=O)C1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1	ZINC000277250173	213395279	/nfs/dbraw/zinc/39/52/79/213395279.db2.gz	NXPIVKOZKFHXRZ-LBPRGKRZSA-N	0	3	303.381	2.654	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCCN2CCO)n1	ZINC000590709141	398656510	/nfs/dbraw/zinc/65/65/10/398656510.db2.gz	QDCJANMTTARHEL-HNNXBMFYSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3(CC3)c3ccccc32)CC1	ZINC000172488320	198105075	/nfs/dbraw/zinc/10/50/75/198105075.db2.gz	ZPBILMKNNISREJ-UHFFFAOYSA-N	0	3	311.429	2.898	20	30		DFEDHN
Cc1cc(CN[C@H]2CCCc3c2ccc(=O)n3C)ccc1C#N	ZINC000593694931	398672328	/nfs/dbraw/zinc/67/23/28/398672328.db2.gz	UPWJCBKPOFQZJM-KRWDZBQOSA-N	0	3	307.397	2.733	20	30		DFEDHN
CCN1CCN(C[C@@H](C)CNc2ccc(Cl)cc2C#N)CC1	ZINC000277167997	213341190	/nfs/dbraw/zinc/34/11/90/213341190.db2.gz	UAHOELXMTKISHE-AWEZNQCLSA-N	0	3	320.868	2.897	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1	ZINC000172908470	198166084	/nfs/dbraw/zinc/16/60/84/198166084.db2.gz	UXBWSQVKDSRPIL-CABCVRRESA-N	0	3	320.383	2.835	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cn[nH]c1	ZINC000597730190	398687345	/nfs/dbraw/zinc/68/73/45/398687345.db2.gz	YTQCLNAFNRDVMG-RDJZCZTQSA-N	0	3	308.385	2.846	20	30		DFEDHN
COc1cccc(C(=O)NCCN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000173870663	198263198	/nfs/dbraw/zinc/26/31/98/198263198.db2.gz	JXNYICWHQSQNQC-CQSZACIVSA-N	0	3	323.396	2.647	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)CC2(C#N)CCOCC2)c(F)c1	ZINC000597771113	398692865	/nfs/dbraw/zinc/69/28/65/398692865.db2.gz	LDYXCIFBAHWEIT-UHFFFAOYSA-N	0	3	319.380	2.536	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2cc3ccccc3n2CC#N)C1	ZINC000590889429	398696615	/nfs/dbraw/zinc/69/66/15/398696615.db2.gz	VVEUNCBUSRTYKT-INIZCTEOSA-N	0	3	324.428	2.720	20	30		DFEDHN
CC(C#N)C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000593851214	398696876	/nfs/dbraw/zinc/69/68/76/398696876.db2.gz	RLENULFAMKCKJV-ACJLOTCBSA-N	0	3	316.401	2.562	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccc(C#N)o2)C1	ZINC000174329713	198320347	/nfs/dbraw/zinc/32/03/47/198320347.db2.gz	HEZRZZMSOIVDJY-CYBMUJFWSA-N	0	3	319.405	2.888	20	30		DFEDHN
COc1cccc(N2CC[C@@H](CNCc3ccc(C#N)o3)C2)c1	ZINC000174336639	198320743	/nfs/dbraw/zinc/32/07/43/198320743.db2.gz	KJFDXNODWHHVMI-AWEZNQCLSA-N	0	3	311.385	2.776	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCCC1	ZINC000597848845	398704584	/nfs/dbraw/zinc/70/45/84/398704584.db2.gz	IAOGJFZFWQAYJQ-HOCLYGCPSA-N	0	3	300.402	2.946	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000597859278	398706535	/nfs/dbraw/zinc/70/65/35/398706535.db2.gz	SPPOCYMFZSMTOC-MRXNPFEDSA-N	0	3	311.429	2.844	20	30		DFEDHN
CO[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000597869921	398708631	/nfs/dbraw/zinc/70/86/31/398708631.db2.gz	JLSLFFIRVXKYTI-IAGOWNOFSA-N	0	3	300.402	2.786	20	30		DFEDHN
CN(C(=O)CN1CC[C@@H](C2CCC2)C1)C1(C#N)CCCCC1	ZINC000591061889	398720524	/nfs/dbraw/zinc/72/05/24/398720524.db2.gz	MPBLIQHRXKBCTP-MRXNPFEDSA-N	0	3	303.450	2.793	20	30		DFEDHN
N#Cc1ccc(C2(NCCC(=O)NC3CCCC3)CCC2)cc1	ZINC000594032592	398726660	/nfs/dbraw/zinc/72/66/60/398726660.db2.gz	XVRYMLGWSRXETN-UHFFFAOYSA-N	0	3	311.429	2.976	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccco1)N1CCCCCC1	ZINC000074250313	398733927	/nfs/dbraw/zinc/73/39/27/398733927.db2.gz	KLNOHUGVPXQJNA-OAHLLOKOSA-N	0	3	303.406	2.786	20	30		DFEDHN
Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1	ZINC000047010526	398732832	/nfs/dbraw/zinc/73/28/32/398732832.db2.gz	IAOYAEXPSSIBIB-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCCCCC1	ZINC000074258288	398734676	/nfs/dbraw/zinc/73/46/76/398734676.db2.gz	IDBDVDRGQQBIPP-INIZCTEOSA-N	0	3	314.433	2.588	20	30		DFEDHN
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(CC)C1	ZINC000598038390	398741716	/nfs/dbraw/zinc/74/17/16/398741716.db2.gz	BYZMIXGMCVZGRT-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000591241631	398741949	/nfs/dbraw/zinc/74/19/49/398741949.db2.gz	QIVOYZAMOVYYSM-VQIMIIECSA-N	0	3	317.477	2.742	20	30		DFEDHN
C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc2ccccc2c1	ZINC000591241590	398741966	/nfs/dbraw/zinc/74/19/66/398741966.db2.gz	LDIAGPZMDQIDIE-KXBFYZLASA-N	0	3	311.429	2.697	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)CCN2CCc3ccccc3C2)C1	ZINC000591319847	398747945	/nfs/dbraw/zinc/74/79/45/398747945.db2.gz	GKCCLJOLDICOKM-IBGZPJMESA-N	0	3	311.429	2.587	20	30		DFEDHN
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2ccccc2C1	ZINC000005111621	181205065	/nfs/dbraw/zinc/20/50/65/181205065.db2.gz	CUECCKWKQQEZKE-AWEZNQCLSA-N	0	3	306.365	2.910	20	30		DFEDHN
N#Cc1ccc(/C=C/C(=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000264557362	283120971	/nfs/dbraw/zinc/12/09/71/283120971.db2.gz	DWZIWBZEPDIBNR-BLGFXRMMSA-N	0	3	309.413	2.658	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c(F)c1	ZINC000368782582	283142552	/nfs/dbraw/zinc/14/25/52/283142552.db2.gz	CLABJTJKBNTKAS-LJQANCHMSA-N	0	3	321.355	2.793	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl	ZINC000598189547	398766338	/nfs/dbraw/zinc/76/63/38/398766338.db2.gz	BFLBSKSNJNJIFF-GZMMTYOYSA-N	0	3	301.173	2.645	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H](CC(C)C)N(C)C	ZINC000048131902	398774591	/nfs/dbraw/zinc/77/45/91/398774591.db2.gz	DMFBXCUEWKBASO-HNNXBMFYSA-N	0	3	304.434	2.958	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c2ncccc12	ZINC000591595025	398774629	/nfs/dbraw/zinc/77/46/29/398774629.db2.gz	WBOJHLSMISWNTR-GFCCVEGCSA-N	0	3	302.765	2.848	20	30		DFEDHN
N#CC1CCC(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1	ZINC000594241581	398772704	/nfs/dbraw/zinc/77/27/04/398772704.db2.gz	DEPQAPZBGPNAKQ-GQGLESIBSA-N	0	3	318.465	2.632	20	30		DFEDHN
CC(C)Sc1ccc([C@H](C)NC(=O)[C@]2(C#N)CCNC2)cc1	ZINC000591607122	398776357	/nfs/dbraw/zinc/77/63/57/398776357.db2.gz	CHQYXOFOGRKWEX-GUYCJALGSA-N	0	3	317.458	2.868	20	30		DFEDHN
CC(C)COc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1Cl	ZINC000591594413	398774704	/nfs/dbraw/zinc/77/47/04/398774704.db2.gz	WIYMEPWCVJFEKU-MRXNPFEDSA-N	0	3	321.808	2.817	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(OC3CCCCC3)cc2)CCNC1	ZINC000591616840	398776964	/nfs/dbraw/zinc/77/69/64/398776964.db2.gz	VFEUQFZIZNYGRR-SFHVURJKSA-N	0	3	313.401	2.840	20	30		DFEDHN
CC(C)N1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594275752	398778317	/nfs/dbraw/zinc/77/83/17/398778317.db2.gz	DKIMQPOPOYPYJL-INIZCTEOSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000594292644	398779736	/nfs/dbraw/zinc/77/97/36/398779736.db2.gz	LWUMSMIZMHKRIG-QAPCUYQASA-N	0	3	313.445	2.537	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@H]1NC[C@H](O)COc1ccc(C#N)cc1	ZINC000591744208	398783960	/nfs/dbraw/zinc/78/39/60/398783960.db2.gz	DBBKKCJGXFWQAQ-DFQSSKMNSA-N	0	3	322.408	2.618	20	30		DFEDHN
CCOC(=O)N[C@H](CNCc1ccc(C#N)cc1)CC(C)C	ZINC000236921674	202072639	/nfs/dbraw/zinc/07/26/39/202072639.db2.gz	VVEVAWJAFWDEFD-INIZCTEOSA-N	0	3	303.406	2.809	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NC(=O)CCCCC#N)CC1	ZINC000594326792	398783310	/nfs/dbraw/zinc/78/33/10/398783310.db2.gz	HLRJUVOHJAGGSF-OAHLLOKOSA-N	0	3	314.433	2.807	20	30		DFEDHN
C=CCC[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)C1CC1	ZINC000120829161	398784304	/nfs/dbraw/zinc/78/43/04/398784304.db2.gz	BXJLAKAEYCRPID-KRWDZBQOSA-N	0	3	302.418	2.847	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cccc(OCC#N)c1	ZINC000048509904	398785050	/nfs/dbraw/zinc/78/50/50/398785050.db2.gz	XQZGCLLUXXRAGH-AWEZNQCLSA-N	0	3	316.405	2.585	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1=CCN(C)CC1	ZINC000594342105	398785194	/nfs/dbraw/zinc/78/51/94/398785194.db2.gz	XZTVMJBRRNGTAZ-LSDHHAIUSA-N	0	3	311.429	2.503	20	30		DFEDHN
N#CC1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCCC1	ZINC000598311035	398788959	/nfs/dbraw/zinc/78/89/59/398788959.db2.gz	UCEKCZFEUZJMDX-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
COc1cc(NC(=O)CCCCC#N)ccc1OCCN(C)C	ZINC000594372440	398788655	/nfs/dbraw/zinc/78/86/55/398788655.db2.gz	CLOBHJMIBAYBBD-UHFFFAOYSA-N	0	3	319.405	2.658	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCc1ccc2ccccc2c1	ZINC000594425740	398797659	/nfs/dbraw/zinc/79/76/59/398797659.db2.gz	BOJUUXWJRJMBED-GOSISDBHSA-N	0	3	309.413	2.910	20	30		DFEDHN
COc1ccc(CN(C(=O)[C@H](N)CCCCC#N)C2CC2)cc1	ZINC000594424521	398797861	/nfs/dbraw/zinc/79/78/61/398797861.db2.gz	ALXYNTZMBXLCCJ-QGZVFWFLSA-N	0	3	315.417	2.597	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCSC[C@H]1c1ccccc1	ZINC000594425819	398797923	/nfs/dbraw/zinc/79/79/23/398797923.db2.gz	ATLXGRUWTFLVRC-HOTGVXAUSA-N	0	3	317.458	2.714	20	30		DFEDHN
Cc1ccc(SCCNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594425411	398797943	/nfs/dbraw/zinc/79/79/43/398797943.db2.gz	INTSUUITVGAZTI-OAHLLOKOSA-N	0	3	305.447	2.615	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1F)C1CC1	ZINC000594428387	398798703	/nfs/dbraw/zinc/79/87/03/398798703.db2.gz	YPYBPJJIBSUGFR-MRXNPFEDSA-N	0	3	303.381	2.728	20	30		DFEDHN
COCCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1ccccc1	ZINC000594428130	398798812	/nfs/dbraw/zinc/79/88/12/398798812.db2.gz	JZHWOXPLUZLWOD-NVXWUHKLSA-N	0	3	317.433	2.634	20	30		DFEDHN
COCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1ccccc1	ZINC000594428134	398799000	/nfs/dbraw/zinc/79/90/00/398799000.db2.gz	JZHWOXPLUZLWOD-RDJZCZTQSA-N	0	3	317.433	2.634	20	30		DFEDHN
CCCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CCCCC#N	ZINC000594429978	398799706	/nfs/dbraw/zinc/79/97/06/398799706.db2.gz	YOSWYRLVSOYDTG-INIZCTEOSA-N	0	3	305.397	2.976	20	30		DFEDHN
COc1ccc([C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594429549	398799769	/nfs/dbraw/zinc/79/97/69/398799769.db2.gz	RGXZRRSCWUTJTR-CZUORRHYSA-N	0	3	303.406	2.626	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)CCCCC1	ZINC000049971726	398801071	/nfs/dbraw/zinc/80/10/71/398801071.db2.gz	NLAFFQAVIHEACN-HOTGVXAUSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C12CCCC2	ZINC000594434375	398801287	/nfs/dbraw/zinc/80/12/87/398801287.db2.gz	YLOPLCGNGFTKBQ-BZUAXINKSA-N	0	3	321.465	2.594	20	30		DFEDHN
Cc1cccc2c(CCNC(=O)[C@@H](N)CCCCC#N)c[nH]c21	ZINC000594434096	398801381	/nfs/dbraw/zinc/80/13/81/398801381.db2.gz	KOZYXAJYPXDYMO-INIZCTEOSA-N	0	3	312.417	2.546	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(Cl)c1	ZINC000594433792	398801450	/nfs/dbraw/zinc/80/14/50/398801450.db2.gz	STHNGCPSLZNSEG-IUODEOHRSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCCc1c[nH]c2ccccc12	ZINC000594434838	398801538	/nfs/dbraw/zinc/80/15/38/398801538.db2.gz	UVRPXEQBVCUOMH-MRXNPFEDSA-N	0	3	312.417	2.628	20	30		DFEDHN
COc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594434294	398801600	/nfs/dbraw/zinc/80/16/00/398801600.db2.gz	MVINZKJFEUPTHB-HNNXBMFYSA-N	0	3	317.433	2.544	20	30		DFEDHN
Cc1cccc2c(CCNC(=O)[C@H](N)CCCCC#N)c[nH]c21	ZINC000594434097	398801238	/nfs/dbraw/zinc/80/12/38/398801238.db2.gz	KOZYXAJYPXDYMO-MRXNPFEDSA-N	0	3	312.417	2.546	20	30		DFEDHN
COc1ccc(OC(C)C)c(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594435584	398801627	/nfs/dbraw/zinc/80/16/27/398801627.db2.gz	CYVDKYVRRVIAHC-CQSZACIVSA-N	0	3	319.405	2.832	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1c(F)cccc1NC1CC1	ZINC000594437910	398802202	/nfs/dbraw/zinc/80/22/02/398802202.db2.gz	XQZNWBHOQMOLAK-ZDUSSCGKSA-N	0	3	304.369	2.750	20	30		DFEDHN
CSc1ccc(F)cc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594433957	398801751	/nfs/dbraw/zinc/80/17/51/398801751.db2.gz	VGFWKIAJXWEBSM-ZDUSSCGKSA-N	0	3	309.410	2.575	20	30		DFEDHN
CC(C)(C)c1csc(CCNC(=O)[C@@H](N)CCCCC#N)n1	ZINC000594436670	398802293	/nfs/dbraw/zinc/80/22/93/398802293.db2.gz	FFTWMMQYMOQRRM-LBPRGKRZSA-N	0	3	322.478	2.511	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](Nc2ccccc2)C1	ZINC000594436798	398802164	/nfs/dbraw/zinc/80/21/64/398802164.db2.gz	JHEVEYWRTPZHBQ-DLBZAZTESA-N	0	3	314.433	2.501	20	30		DFEDHN
CC(C)N(C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594439082	398802170	/nfs/dbraw/zinc/80/21/70/398802170.db2.gz	SCPQVPVQSAOTRU-INIZCTEOSA-N	0	3	302.422	2.881	20	30		DFEDHN
Cc1ccc2c(CCNC(=O)[C@H](N)CCCCC#N)c[nH]c2c1	ZINC000594439923	398802904	/nfs/dbraw/zinc/80/29/04/398802904.db2.gz	SYNOGBBPHATKIC-MRXNPFEDSA-N	0	3	312.417	2.546	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)c1ccccc1	ZINC000594439325	398802922	/nfs/dbraw/zinc/80/29/22/398802922.db2.gz	PZDIHHIRNNBBQB-ZBFHGGJFSA-N	0	3	301.434	2.880	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccncc1	ZINC000594441602	398803448	/nfs/dbraw/zinc/80/34/48/398803448.db2.gz	TVUPKXQKBCIUAH-ZWKOTPCHSA-N	0	3	322.412	2.698	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1	ZINC000594444521	398804057	/nfs/dbraw/zinc/80/40/57/398804057.db2.gz	RQARRBSAGASCRT-IRXDYDNUSA-N	0	3	314.433	2.937	20	30		DFEDHN
COC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594444966	398804213	/nfs/dbraw/zinc/80/42/13/398804213.db2.gz	GWAGUNRTNDWSEX-LSDHHAIUSA-N	0	3	323.824	2.555	20	30		DFEDHN
CN(Cc1cc(Cl)ccc1F)C(=O)[C@H](N)CCCCC#N	ZINC000594444968	398804244	/nfs/dbraw/zinc/80/42/44/398804244.db2.gz	GWSCFBBTSLVVBV-CQSZACIVSA-N	0	3	311.788	2.849	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCCC#N)Cc1ccccc1	ZINC000594446113	398804940	/nfs/dbraw/zinc/80/49/40/398804940.db2.gz	QLIBOYXSPYSFID-INIZCTEOSA-N	0	3	301.434	2.783	20	30		DFEDHN
C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594447919	398805199	/nfs/dbraw/zinc/80/51/99/398805199.db2.gz	XOXVBVBJUNRPMA-HKUYNNGSSA-N	0	3	313.445	2.978	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(F)c2)CCC1	ZINC000594450197	398805266	/nfs/dbraw/zinc/80/52/66/398805266.db2.gz	UAYYVWGOVCXPDR-OAHLLOKOSA-N	0	3	303.381	2.732	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	ZINC000594447888	398805350	/nfs/dbraw/zinc/80/53/50/398805350.db2.gz	WYIHOHVXPXRKFX-SQNIBIBYSA-N	0	3	313.445	2.925	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccccn1	ZINC000594445446	398804822	/nfs/dbraw/zinc/80/48/22/398804822.db2.gz	FRGRWTHLCBVHSD-SJLPKXTDSA-N	0	3	322.412	2.698	20	30		DFEDHN
CCSCc1ccnc(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594469561	398807150	/nfs/dbraw/zinc/80/71/50/398807150.db2.gz	ZCWLPGFTNUNZOB-CYBMUJFWSA-N	0	3	306.435	2.684	20	30		DFEDHN
CC[C@H](C)NC(=O)CCNCc1ccc(C(C)(C)C#N)cc1	ZINC000594494496	398808702	/nfs/dbraw/zinc/80/87/02/398808702.db2.gz	BYPMNZVJQVMGBA-AWEZNQCLSA-N	0	3	301.434	2.882	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000598421210	398810629	/nfs/dbraw/zinc/81/06/29/398810629.db2.gz	DOXHEOSEFHRTHT-OKZBNKHCSA-N	0	3	305.381	2.950	20	30		DFEDHN
Cc1cc(CN[C@H]2CCc3ccccc3NC2=O)ccc1C#N	ZINC000594508570	398812983	/nfs/dbraw/zinc/81/29/83/398812983.db2.gz	DDJJBDXXSCBGEN-SFHVURJKSA-N	0	3	305.381	2.910	20	30		DFEDHN
COc1cc(CNC[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N	ZINC000594513184	398813946	/nfs/dbraw/zinc/81/39/46/398813946.db2.gz	BWQUCIOYBPEACJ-GFCCVEGCSA-N	0	3	304.390	2.634	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCc3ccc(C)cc32)CC1	ZINC000179594328	199060602	/nfs/dbraw/zinc/06/06/02/199060602.db2.gz	FGIAENQIBXQZHQ-LJQANCHMSA-N	0	3	310.441	2.834	20	30		DFEDHN
CCn1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1=O	ZINC000594525753	398816116	/nfs/dbraw/zinc/81/61/16/398816116.db2.gz	ZBNBLGWKGITKEO-UHFFFAOYSA-N	0	3	309.413	2.959	20	30		DFEDHN
N#Cc1cccnc1NCC1(N2CCSCC2)CCCC1	ZINC000075676874	398816835	/nfs/dbraw/zinc/81/68/35/398816835.db2.gz	XKKKOPWXJVTEML-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
N#Cc1cccc(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-]	ZINC000594598035	398827604	/nfs/dbraw/zinc/82/76/04/398827604.db2.gz	GBFSJGAWBNBQTE-DZGCQCFKSA-N	0	3	300.362	2.895	20	30		DFEDHN
CCc1nnc(N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)c1CC	ZINC000594602391	398828985	/nfs/dbraw/zinc/82/89/85/398828985.db2.gz	QLBJXEFOOBUPCV-IRXDYDNUSA-N	0	3	313.449	2.902	20	30		DFEDHN
CCN1CCC(N(C(=O)c2sccc2C#N)C2CC2)CC1	ZINC000052032774	398830534	/nfs/dbraw/zinc/83/05/34/398830534.db2.gz	WGUSQBFZLPQSOT-UHFFFAOYSA-N	0	3	303.431	2.709	20	30		DFEDHN
COc1ccc(C#N)cc1NC1CCN(C[C@H]2CCCO2)CC1	ZINC000594606807	398830652	/nfs/dbraw/zinc/83/06/52/398830652.db2.gz	SLUOIHWPPCXBEK-MRXNPFEDSA-N	0	3	315.417	2.622	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C[C@@H](O)CC(C)(C)C#N	ZINC000598584055	398836057	/nfs/dbraw/zinc/83/60/57/398836057.db2.gz	AFAXUNFQKQBWMT-ZDUSSCGKSA-N	0	3	310.825	2.951	20	30		DFEDHN
COc1ccc2c(c1)CCCN(C[C@@H](O)CC(C)(C)C#N)C2	ZINC000598589328	398836785	/nfs/dbraw/zinc/83/67/85/398836785.db2.gz	IDAXNOCAHSJYQU-INIZCTEOSA-N	0	3	302.418	2.744	20	30		DFEDHN
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@@H](O)CC(C)(C)C#N	ZINC000598596465	398838340	/nfs/dbraw/zinc/83/83/40/398838340.db2.gz	RUXBNYJIBUCVOM-OXDBHQQFSA-N	0	3	322.474	2.718	20	30		DFEDHN
COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000598614066	398841243	/nfs/dbraw/zinc/84/12/43/398841243.db2.gz	NMIFSUQZKNTLQA-HUUCEWRRSA-N	0	3	310.825	2.918	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598599536	398839407	/nfs/dbraw/zinc/83/94/07/398839407.db2.gz	BZKXQPUSTXGVKX-OCCSQVGLSA-N	0	3	306.406	2.655	20	30		DFEDHN
CC[C@H]1CN(c2ccccc2)CCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598604355	398839981	/nfs/dbraw/zinc/83/99/81/398839981.db2.gz	LMFQHHLYLZGQKG-WMZOPIPTSA-N	0	3	315.461	2.888	20	30		DFEDHN
COCc1ccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1	ZINC000598604681	398840794	/nfs/dbraw/zinc/84/07/94/398840794.db2.gz	PGFPOVGKNCVQLO-ZFWWWQNUSA-N	0	3	306.406	2.864	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)c(OC)c(C)c2)CC1	ZINC000180064597	199113856	/nfs/dbraw/zinc/11/38/56/199113856.db2.gz	YSEWPBRKNBBOAY-UHFFFAOYSA-N	0	3	302.418	2.692	20	30		DFEDHN
Cc1ccnc(OC2CCN(C[C@H](O)CC(C)(C)C#N)CC2)c1	ZINC000598600946	398839078	/nfs/dbraw/zinc/83/90/78/398839078.db2.gz	CFFWQQSPGCILRL-OAHLLOKOSA-N	0	3	317.433	2.534	20	30		DFEDHN
CN(C[C@@H](O)CC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1	ZINC000598620837	398842873	/nfs/dbraw/zinc/84/28/73/398842873.db2.gz	NWKRBBTXAVJTOF-LSDHHAIUSA-N	0	3	310.825	2.606	20	30		DFEDHN
Cc1ncccc1OC[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598623059	398842879	/nfs/dbraw/zinc/84/28/79/398842879.db2.gz	UKOALURITVWDQP-HZPDHXFCSA-N	0	3	317.433	2.534	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](CCO)c1ccc(Cl)cc1	ZINC000598615792	398841433	/nfs/dbraw/zinc/84/14/33/398841433.db2.gz	FWAVQSANCVXVQY-HUUCEWRRSA-N	0	3	310.825	2.654	20	30		DFEDHN
COC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180139741	199122399	/nfs/dbraw/zinc/12/23/99/199122399.db2.gz	CPYVZIFHUYUKRA-MRXNPFEDSA-N	0	3	324.428	2.817	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000598620168	398842489	/nfs/dbraw/zinc/84/24/89/398842489.db2.gz	ZUSVMOYXGTYETF-GFCCVEGCSA-N	0	3	305.378	2.720	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598623556	398842729	/nfs/dbraw/zinc/84/27/29/398842729.db2.gz	XYUXEEFEJGEAOI-ILXRZTDVSA-N	0	3	324.465	2.587	20	30		DFEDHN
COc1ccc(COCCNCc2ccc(C#N)s2)cc1	ZINC000180262878	199138118	/nfs/dbraw/zinc/13/81/18/199138118.db2.gz	RPGHQNAJKBUZID-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000180344700	199147834	/nfs/dbraw/zinc/14/78/34/199147834.db2.gz	FHODVIGSJDENJI-AWEZNQCLSA-N	0	3	302.422	2.562	20	30		DFEDHN
COc1cc(CNc2ccc([C@H]3CNCCO3)cc2)ccc1C#N	ZINC000594739354	398853501	/nfs/dbraw/zinc/85/35/01/398853501.db2.gz	NXMSINLZYVPZNT-LJQANCHMSA-N	0	3	323.396	2.840	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC(F)(F)F)cc1	ZINC000598699143	398857178	/nfs/dbraw/zinc/85/71/78/398857178.db2.gz	BPOKJKAXKKPBQN-GFCCVEGCSA-N	0	3	316.323	2.976	20	30		DFEDHN
C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1CO	ZINC000598678353	398854619	/nfs/dbraw/zinc/85/46/19/398854619.db2.gz	WTJBJQZQPFCUIW-WBVHZDCISA-N	0	3	302.418	2.819	20	30		DFEDHN
CCOc1ccc2c(c1)[C@@H](NC[C@@H](O)CC(C)(C)C#N)CCO2	ZINC000598724407	398862321	/nfs/dbraw/zinc/86/23/21/398862321.db2.gz	OSHQMGNNEXYIAA-BBRMVZONSA-N	0	3	318.417	2.799	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2cc(F)ccc21	ZINC000598725620	398862560	/nfs/dbraw/zinc/86/25/60/398862560.db2.gz	XOATVDWOWLWWFW-UKRRQHHQSA-N	0	3	306.381	2.930	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)nn2C(CC)CC)CC1	ZINC000180479432	199164358	/nfs/dbraw/zinc/16/43/58/199164358.db2.gz	DAXLOCVTMSXIQJ-UHFFFAOYSA-N	0	3	318.465	2.933	20	30		DFEDHN
CN(C)CCN(C(=O)CCc1ccc(C#N)cc1)C1CCCC1	ZINC000053152690	398864052	/nfs/dbraw/zinc/86/40/52/398864052.db2.gz	MCCKZAXQBLIKFR-UHFFFAOYSA-N	0	3	313.445	2.824	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccccc1Br	ZINC000598715514	398860400	/nfs/dbraw/zinc/86/04/00/398860400.db2.gz	SBZCRHZTRQMKFH-LBPRGKRZSA-N	0	3	311.223	2.839	20	30		DFEDHN
CCCC(=O)Nc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598715439	398860406	/nfs/dbraw/zinc/86/04/06/398860406.db2.gz	QLXBDZVMEGTHQG-INIZCTEOSA-N	0	3	317.433	2.816	20	30		DFEDHN
N#CCN1CCC(NCc2cc(F)ccc2OC(F)F)CC1	ZINC000594925005	398872923	/nfs/dbraw/zinc/87/29/23/398872923.db2.gz	OBZGDHOMSBDKAD-UHFFFAOYSA-N	0	3	313.323	2.505	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)Cc2ccccc2C)CC1	ZINC000076832885	398871419	/nfs/dbraw/zinc/87/14/19/398871419.db2.gz	LCXVWMSJJUIOQH-UHFFFAOYSA-N	0	3	312.457	2.778	20	30		DFEDHN
Cc1nc(CNC2CCN(Cc3cccc(C#N)c3)CC2)[nH]c1C	ZINC000594944619	398878575	/nfs/dbraw/zinc/87/85/75/398878575.db2.gz	AGNJCIUDPYKXOB-UHFFFAOYSA-N	0	3	323.444	2.652	20	30		DFEDHN
Cn1ncc(C(F)(F)F)c1CNCCc1ccc(C#N)cc1	ZINC000594956109	398881214	/nfs/dbraw/zinc/88/12/14/398881214.db2.gz	UDCKTHXFYYWJRG-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@@H]2C[C@H](O)C23CCC3)c1	ZINC000594989554	398887996	/nfs/dbraw/zinc/88/79/96/398887996.db2.gz	USUCXFTVPPNFLL-SJORKVTESA-N	0	3	300.402	2.762	20	30		DFEDHN
CC(C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000139991010	398887780	/nfs/dbraw/zinc/88/77/80/398887780.db2.gz	NQKPNLCKGWEOGP-ZDUSSCGKSA-N	0	3	305.447	2.626	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1	ZINC000181154235	199257554	/nfs/dbraw/zinc/25/75/54/199257554.db2.gz	BCRCMGOQSDXSPS-QGZVFWFLSA-N	0	3	310.401	2.699	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000143013788	398901053	/nfs/dbraw/zinc/90/10/53/398901053.db2.gz	CPWOJYUMCKOZFW-GOSISDBHSA-N	0	3	316.445	2.841	20	30		DFEDHN
COc1cc(CN[C@H]2COc3cccc(C)c3C2)ccc1C#N	ZINC000598986206	398903569	/nfs/dbraw/zinc/90/35/69/398903569.db2.gz	FWTYWCRACCKAMA-MRXNPFEDSA-N	0	3	308.381	2.969	20	30		DFEDHN
N#Cc1csc(CNCC[C@@H](O)COCc2ccccc2)c1	ZINC000599024113	398909619	/nfs/dbraw/zinc/90/96/19/398909619.db2.gz	YZJJUMSEEQLGRA-MRXNPFEDSA-N	0	3	316.426	2.677	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)c1cccc(C#N)c1)CC2	ZINC000187700151	200146862	/nfs/dbraw/zinc/14/68/62/200146862.db2.gz	ACTWXTFGLIFAMR-JCGIZDLHSA-N	0	3	314.429	2.871	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)C[C@@H]1NCc3ccccc31)C2	ZINC000595251385	398913046	/nfs/dbraw/zinc/91/30/46/398913046.db2.gz	URXDYSGTCGVYTJ-SFHVURJKSA-N	0	3	303.365	2.635	20	30		DFEDHN
C[C@@]1(C#N)CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1	ZINC000595265105	398914167	/nfs/dbraw/zinc/91/41/67/398914167.db2.gz	JWVLMJIFZSNCFJ-MJGOQNOKSA-N	0	3	322.412	2.785	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000595311485	398921156	/nfs/dbraw/zinc/92/11/56/398921156.db2.gz	CMJOYIFZVLVKEB-FQEVSTJZSA-N	0	3	324.424	2.610	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)Cc1ccc([S@@](C)=O)cc1	ZINC000595340822	398924210	/nfs/dbraw/zinc/92/42/10/398924210.db2.gz	IDPHUOQCSAUJRQ-JOCHJYFZSA-N	0	3	312.438	2.970	20	30		DFEDHN
N#Cc1cc2cccnc2nc1NC[C@@H]1CCN1C1CCCC1	ZINC000599166604	398932586	/nfs/dbraw/zinc/93/25/86/398932586.db2.gz	YQKLOGLHRLWVCR-INIZCTEOSA-N	0	3	307.401	2.930	20	30		DFEDHN
C[S@@](=O)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416348	398934292	/nfs/dbraw/zinc/93/42/92/398934292.db2.gz	ANTPXOFIQXNSGU-XMSQKQJNSA-N	0	3	312.438	2.810	20	30		DFEDHN
C[C@H](c1ccccc1F)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599263337	398943928	/nfs/dbraw/zinc/94/39/28/398943928.db2.gz	GICQQGGORFTMNA-CABCVRRESA-N	0	3	320.408	2.890	20	30		DFEDHN
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1(C#N)CC1	ZINC000599271213	398945886	/nfs/dbraw/zinc/94/58/86/398945886.db2.gz	VRSQPYUUBXQTFL-INIZCTEOSA-N	0	3	317.389	2.860	20	30		DFEDHN
CCN(Cc1ccc(OC)cc1OC)C[C@H](O)CC1(C#N)CC1	ZINC000599274251	398946229	/nfs/dbraw/zinc/94/62/29/398946229.db2.gz	ORDYBYJOOBMNEL-OAHLLOKOSA-N	0	3	318.417	2.580	20	30		DFEDHN
C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1	ZINC000595476590	398946501	/nfs/dbraw/zinc/94/65/01/398946501.db2.gz	SCFWUDLPMUVMLO-GPMSIDNRSA-N	0	3	314.429	2.759	20	30		DFEDHN
CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C)c(C#N)c1)CC2	ZINC000599300305	398950943	/nfs/dbraw/zinc/95/09/43/398950943.db2.gz	WJEHJLNGMOXESY-MSOLQXFVSA-N	0	3	314.429	2.619	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(OC)c(C#N)c1	ZINC000272005147	209376700	/nfs/dbraw/zinc/37/67/00/209376700.db2.gz	IXWWRNDCJJXVQB-MAUKXSAKSA-N	0	3	316.401	2.778	20	30		DFEDHN
Cc1nc2c(s1)[C@H](N(C)C[C@H](O)CC1(C#N)CC1)CCC2	ZINC000599327401	398954389	/nfs/dbraw/zinc/95/43/89/398954389.db2.gz	GUCTZAAANRFBLV-TZMCWYRMSA-N	0	3	305.447	2.816	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cc(F)ccc1F	ZINC000599346754	398957515	/nfs/dbraw/zinc/95/75/15/398957515.db2.gz	DNMKCUHNHHUETF-TZMCWYRMSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F	ZINC000599347681	398957840	/nfs/dbraw/zinc/95/78/40/398957840.db2.gz	HVQASOVRMNHTTK-VXGBXAGGSA-N	0	3	310.344	2.993	20	30		DFEDHN
COc1cc(C)c([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1OC	ZINC000599346758	398957920	/nfs/dbraw/zinc/95/79/20/398957920.db2.gz	DOOSJXHOOLSJEF-KGLIPLIRSA-N	0	3	318.417	2.718	20	30		DFEDHN
Cc1cc([C@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)ccc1F	ZINC000599352602	398958968	/nfs/dbraw/zinc/95/89/68/398958968.db2.gz	DEYMSWZONBTBBO-HOCLYGCPSA-N	0	3	320.408	2.856	20	30		DFEDHN
COc1cc(F)c([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1OC	ZINC000599355577	398959887	/nfs/dbraw/zinc/95/98/87/398959887.db2.gz	BMCSHHFEFRJYCP-NEPJUHHUSA-N	0	3	322.380	2.548	20	30		DFEDHN
COc1cc(F)c([C@H](C)NC[C@H](O)CC2(C#N)CC2)cc1OC	ZINC000599355578	398960060	/nfs/dbraw/zinc/96/00/60/398960060.db2.gz	BMCSHHFEFRJYCP-NWDGAFQWSA-N	0	3	322.380	2.548	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)cc1[N+](=O)[O-]	ZINC000599354158	398960361	/nfs/dbraw/zinc/96/03/61/398960361.db2.gz	NCICJTHRQWSQPK-GXTWGEPZSA-N	0	3	303.362	2.609	20	30		DFEDHN
C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000158821367	398960794	/nfs/dbraw/zinc/96/07/94/398960794.db2.gz	WTWSTUVOEMVGFP-DZGCQCFKSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(Cc3ccc4c(c3)CCO4)C2)nc1	ZINC000292757860	223231509	/nfs/dbraw/zinc/23/15/09/223231509.db2.gz	JFSDLRKHHASBGP-QGZVFWFLSA-N	0	3	321.380	2.541	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000281413260	216283422	/nfs/dbraw/zinc/28/34/22/216283422.db2.gz	XIQXAZNWJILSFX-PXAZEXFGSA-N	0	3	311.385	2.881	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@H](CO)[C@H](C)c1ccccc1	ZINC000613389397	398969129	/nfs/dbraw/zinc/96/91/29/398969129.db2.gz	MIWROAKCZOMBJP-RDTXWAMCSA-N	0	3	310.397	2.821	20	30		DFEDHN
C=CC[C@H]1N(Cc2cnc(C(=O)OC)cn2)CCCC1(C)C	ZINC000599384944	398969754	/nfs/dbraw/zinc/96/97/54/398969754.db2.gz	DJDGRRPBNJBUNJ-OAHLLOKOSA-N	0	3	303.406	2.830	20	30		DFEDHN
N#Cc1cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)ccn1	ZINC000193483171	201061965	/nfs/dbraw/zinc/06/19/65/201061965.db2.gz	OGRMZSAGGVVUBQ-QGZVFWFLSA-N	0	3	318.380	2.578	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000599426318	398978585	/nfs/dbraw/zinc/97/85/85/398978585.db2.gz	BJYRXDDAIWQAMP-DLBZAZTESA-N	0	3	314.429	2.535	20	30		DFEDHN
Cc1ccc(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1C#N	ZINC000599429042	398979710	/nfs/dbraw/zinc/97/97/10/398979710.db2.gz	OKJGLQYDCDNNDM-QGZVFWFLSA-N	0	3	311.429	2.603	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000271866096	209281206	/nfs/dbraw/zinc/28/12/06/209281206.db2.gz	WGRWNKDLPISFOD-CZPYZCIJSA-N	0	3	315.417	2.534	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000271866095	209281250	/nfs/dbraw/zinc/28/12/50/209281250.db2.gz	WGRWNKDLPISFOD-AVRGHOLYSA-N	0	3	315.417	2.534	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599451404	398986466	/nfs/dbraw/zinc/98/64/66/398986466.db2.gz	XMOYGLCWZIURML-YOEHRIQHSA-N	0	3	320.408	2.938	20	30		DFEDHN
CCCCOC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000195171792	201351208	/nfs/dbraw/zinc/35/12/08/201351208.db2.gz	ZFNVJEPUZGORCS-SFHVURJKSA-N	0	3	302.418	2.700	20	30		DFEDHN
CCCCOC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000195171775	201351925	/nfs/dbraw/zinc/35/19/25/201351925.db2.gz	ZFNVJEPUZGORCS-GOSISDBHSA-N	0	3	302.418	2.700	20	30		DFEDHN
N#Cc1c(Br)cccc1N[C@@H]1CCN(C2CC2)C1	ZINC000168517336	398996438	/nfs/dbraw/zinc/99/64/38/398996438.db2.gz	QDCVXBDSGRZDQY-SNVBAGLBSA-N	0	3	306.207	2.969	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000681929032	545754621	/nfs/dbraw/zinc/75/46/21/545754621.db2.gz	ZBTMTXQDBYNQIS-XYJFISCASA-N	0	3	302.466	2.537	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@@H](C#N)C1	ZINC000600205184	399004177	/nfs/dbraw/zinc/00/41/77/399004177.db2.gz	UNLIERKUMBUOGR-KCYZZUKISA-N	0	3	302.422	2.966	20	30		DFEDHN
C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cn[nH]c1	ZINC000271831669	209251180	/nfs/dbraw/zinc/25/11/80/209251180.db2.gz	FDAGTDZJDOFRSS-AWEZNQCLSA-N	0	3	309.417	2.597	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(Cl)cc2C#N)C1	ZINC000595630666	399010591	/nfs/dbraw/zinc/01/05/91/399010591.db2.gz	AGRSQVAPYSHLMY-JLZZUVOBSA-N	0	3	322.836	2.867	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(C#N)cc2Cl)C1	ZINC000595631503	399012143	/nfs/dbraw/zinc/01/21/43/399012143.db2.gz	JHTDGKDXSZUUIL-FRFSOERESA-N	0	3	322.836	2.867	20	30		DFEDHN
CS[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1N1CCCC1	ZINC000275408895	212315696	/nfs/dbraw/zinc/31/56/96/212315696.db2.gz	FWHOWOOKGOHLHD-JKSUJKDBSA-N	0	3	316.474	2.586	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C	ZINC000599579858	399019176	/nfs/dbraw/zinc/01/91/76/399019176.db2.gz	DHAPKBPXFUBNNO-RBSFLKMASA-N	0	3	324.465	2.587	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000595655491	399022198	/nfs/dbraw/zinc/02/21/98/399022198.db2.gz	FFABFXLMFPGRGY-HUUCEWRRSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=C(C)CN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000079225348	399027250	/nfs/dbraw/zinc/02/72/50/399027250.db2.gz	JWJWGMQXTAPFOC-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC/C=C/CN[C@H]1CCCC[C@H]1C#N	ZINC000595687113	399035534	/nfs/dbraw/zinc/03/55/34/399035534.db2.gz	AFAQJJZBXFWCCF-BDADDGHKSA-N	0	3	300.450	2.887	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1	ZINC000599633509	399036642	/nfs/dbraw/zinc/03/66/42/399036642.db2.gz	RNGJSJCPEVGHCL-JLHGSKIFSA-N	0	3	316.470	2.973	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1	ZINC000091960603	193132188	/nfs/dbraw/zinc/13/21/88/193132188.db2.gz	PSDDHFYTUDVNMH-APWZRJJASA-N	0	3	309.413	2.978	20	30		DFEDHN
CN1CCC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000618208173	399044093	/nfs/dbraw/zinc/04/40/93/399044093.db2.gz	IUEUHXISDJPLHT-HNNXBMFYSA-N	0	3	324.428	2.769	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000595704985	399047962	/nfs/dbraw/zinc/04/79/62/399047962.db2.gz	UIKUMKLIKVZKGQ-INIZCTEOSA-N	0	3	314.433	2.572	20	30		DFEDHN
N#CCc1cccc2c1CCN(C[C@H](O)Cc1ccc(F)cc1)C2	ZINC000599677751	399058461	/nfs/dbraw/zinc/05/84/61/399058461.db2.gz	KTUHLZAWGYUZDJ-LJQANCHMSA-N	0	3	324.399	2.853	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H](O)COc3ccccc3)CC2)c1	ZINC000271783422	209211440	/nfs/dbraw/zinc/21/14/40/209211440.db2.gz	MAWLIFLIUMYADW-QGZVFWFLSA-N	0	3	308.381	2.577	20	30		DFEDHN
N#CCc1cccc2c1CCN(CCC(=O)NC1CCCC1)C2	ZINC000599677971	399058544	/nfs/dbraw/zinc/05/85/44/399058544.db2.gz	FJZKQELCYRQGDZ-UHFFFAOYSA-N	0	3	311.429	2.560	20	30		DFEDHN
CCOC(=O)CCCCN1CCc2c(CC#N)cccc2C1	ZINC000599677624	399059185	/nfs/dbraw/zinc/05/91/85/399059185.db2.gz	ATZGXIUQUFUCAP-UHFFFAOYSA-N	0	3	300.402	2.844	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](C)N(CCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000599692493	399065318	/nfs/dbraw/zinc/06/53/18/399065318.db2.gz	UHOFLEHDJHKMEG-XOIINTDNSA-N	0	3	300.402	2.763	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000172395236	399077751	/nfs/dbraw/zinc/07/77/51/399077751.db2.gz	VQMPNCUPHWAZGU-OAHLLOKOSA-N	0	3	311.429	2.954	20	30		DFEDHN
C=CC[C@@H](C(=O)NC[C@]1(N(C)C)CCSC1)c1ccccc1	ZINC000275108186	212124190	/nfs/dbraw/zinc/12/41/90/212124190.db2.gz	FLJZXXCYZHCCPU-SJLPKXTDSA-N	0	3	318.486	2.900	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C	ZINC000595840525	399108300	/nfs/dbraw/zinc/10/83/00/399108300.db2.gz	BYNKFNRRHLEMQO-JONQDZQNSA-N	0	3	319.449	2.574	20	30		DFEDHN
COC(=O)[C@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C1	ZINC000595850393	399112269	/nfs/dbraw/zinc/11/22/69/399112269.db2.gz	QAOGWOMGNSGOSB-GASCZTMLSA-N	0	3	300.402	2.871	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)CC1	ZINC000600717987	399122885	/nfs/dbraw/zinc/12/28/85/399122885.db2.gz	DQQLYEWVLSUPOF-UKRRQHHQSA-N	0	3	304.365	2.684	20	30		DFEDHN
CCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093605214	193272256	/nfs/dbraw/zinc/27/22/56/193272256.db2.gz	GRJCMKNOVIUSCM-HOTGVXAUSA-N	0	3	312.417	2.841	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCCC(=O)NC)cc1Cl	ZINC000093717384	193297329	/nfs/dbraw/zinc/29/73/29/193297329.db2.gz	LEOCIKBAQKPVKH-UHFFFAOYSA-N	0	3	310.825	2.863	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2coc3ccccc23)CCOCC1	ZINC000600723617	399125697	/nfs/dbraw/zinc/12/56/97/399125697.db2.gz	CRTSIFBFFCOFHM-HNNXBMFYSA-N	0	3	314.385	2.594	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCCOc3c(F)cccc32)CC1	ZINC000600730572	399127497	/nfs/dbraw/zinc/12/74/97/399127497.db2.gz	HXUIJLBCDWPDQE-SWLSCSKDSA-N	0	3	304.365	2.684	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2nccnc2C#N)CCN1Cc1ccccc1	ZINC000080231204	399128719	/nfs/dbraw/zinc/12/87/19/399128719.db2.gz	GLIKVCCVBDQXIC-ZBFHGGJFSA-N	0	3	307.401	2.813	20	30		DFEDHN
CC[C@@H](CC(F)(F)F)NC[C@@H](O)COc1ccccc1C#N	ZINC000600736143	399130182	/nfs/dbraw/zinc/13/01/82/399130182.db2.gz	QVPZEIIYPPHIAL-QWHCGFSZSA-N	0	3	316.323	2.619	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccccc1	ZINC000180044966	399131983	/nfs/dbraw/zinc/13/19/83/399131983.db2.gz	IOZKWBAHMNHAJJ-HNNXBMFYSA-N	0	3	317.433	2.908	20	30		DFEDHN
N#CC1(C[C@H](O)CNC[C@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000600744178	399132349	/nfs/dbraw/zinc/13/23/49/399132349.db2.gz	AWHIEIWXTZKTMC-AAEUAGOBSA-N	0	3	320.355	2.521	20	30		DFEDHN
C=CC(C)(C)CCNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000600742416	399132701	/nfs/dbraw/zinc/13/27/01/399132701.db2.gz	CLHZUQZNFXACTL-UHFFFAOYSA-N	0	3	306.431	2.524	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NC1CCN(CCCOC)CC1	ZINC000180806062	399135320	/nfs/dbraw/zinc/13/53/20/399135320.db2.gz	GULSLYMTBJJJQE-OAHLLOKOSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C	ZINC000180796697	399135429	/nfs/dbraw/zinc/13/54/29/399135429.db2.gz	GXXMUSBZMAZSRH-INIZCTEOSA-N	0	3	317.433	2.684	20	30		DFEDHN
C=CCCOCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000607086341	399140203	/nfs/dbraw/zinc/14/02/03/399140203.db2.gz	HCOMVEREUDZXKZ-QGZVFWFLSA-N	0	3	316.445	2.702	20	30		DFEDHN
N#Cc1ccc(C2(NC(=O)c3cccc4c3CNC4)CCC2)cc1	ZINC000595937843	399139384	/nfs/dbraw/zinc/13/93/84/399139384.db2.gz	XYCQBIOAZUVHPS-UHFFFAOYSA-N	0	3	317.392	2.971	20	30		DFEDHN
CC(C)(C(=O)NCCc1ccc(C#N)cc1)[C@@H](N)c1ccccc1	ZINC000595939045	399139660	/nfs/dbraw/zinc/13/96/60/399139660.db2.gz	UKNQKUCZPUKXMV-SFHVURJKSA-N	0	3	321.424	2.943	20	30		DFEDHN
N#Cc1ccc(CN2CCNC[C@@H]2c2ccccc2Cl)o1	ZINC000600770391	399141338	/nfs/dbraw/zinc/14/13/38/399141338.db2.gz	YDZDDXGVDMTLQM-MRXNPFEDSA-N	0	3	301.777	2.951	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)cn1)C(C)C	ZINC000182255876	399143176	/nfs/dbraw/zinc/14/31/76/399143176.db2.gz	VXJKTXFKCOJADP-MRXNPFEDSA-N	0	3	305.397	2.649	20	30		DFEDHN
C#CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000191876234	335013927	/nfs/dbraw/zinc/01/39/27/335013927.db2.gz	ITVPUNUSNLKWMJ-SFHVURJKSA-N	0	3	314.429	2.752	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)NC[C@H](C)C#N)c1ccccc1	ZINC000182660868	399147918	/nfs/dbraw/zinc/14/79/18/399147918.db2.gz	JDKXMHGVNWNRDQ-ZIAGYGMSSA-N	0	3	302.422	2.575	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(F)ccc2NC(C)C)CC1	ZINC000080439662	399148263	/nfs/dbraw/zinc/14/82/63/399148263.db2.gz	OMLXAGRIMOAJJH-UHFFFAOYSA-N	0	3	317.408	2.930	20	30		DFEDHN
CC(C)(C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000061287675	399153061	/nfs/dbraw/zinc/15/30/61/399153061.db2.gz	GYPOWMOOOAHJMV-UHFFFAOYSA-N	0	3	317.458	2.766	20	30		DFEDHN
C=CCSCCN[C@H](CN1CCOCC1)c1ccccc1C	ZINC000183748011	399155115	/nfs/dbraw/zinc/15/51/15/399155115.db2.gz	DJTVDOYKKKXEGG-GOSISDBHSA-N	0	3	320.502	2.877	20	30		DFEDHN
C[C@@H](C#N)CNC1CCN(C(=O)c2ccccc2Cl)CC1	ZINC000183837956	399155282	/nfs/dbraw/zinc/15/52/82/399155282.db2.gz	NDYAMOQHKDSWJB-LBPRGKRZSA-N	0	3	305.809	2.694	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)C1CC1	ZINC000264870826	204225138	/nfs/dbraw/zinc/22/51/38/204225138.db2.gz	PGLDKGSGJWCPLC-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CCNC(=O)CN[C@H](Cc1ccccc1)c1cccs1	ZINC000184971409	399158870	/nfs/dbraw/zinc/15/88/70/399158870.db2.gz	IPMZAWADADXIBL-OAHLLOKOSA-N	0	3	300.427	2.924	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000271762772	209191770	/nfs/dbraw/zinc/19/17/70/209191770.db2.gz	MOTBWVIJUAZHRE-GXTWGEPZSA-N	0	3	309.406	2.690	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000596100938	399173057	/nfs/dbraw/zinc/17/30/57/399173057.db2.gz	DWGIKPJVLOKZMV-CYBMUJFWSA-N	0	3	315.446	2.677	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)cc1C#N	ZINC000614205729	399174740	/nfs/dbraw/zinc/17/47/40/399174740.db2.gz	AOWJYIRNSKQHGU-DYVFJYSZSA-N	0	3	319.836	2.948	20	30		DFEDHN
C=C(C)CN(CC)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000063381064	399186401	/nfs/dbraw/zinc/18/64/01/399186401.db2.gz	GGNVECPCWUEYBL-UHFFFAOYSA-N	0	3	311.447	2.757	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1C#N	ZINC000266171586	205157813	/nfs/dbraw/zinc/15/78/13/205157813.db2.gz	RLGKSZYHUHRJEP-SGTLLEGYSA-N	0	3	314.360	2.918	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1C#N	ZINC000266198884	205176144	/nfs/dbraw/zinc/17/61/44/205176144.db2.gz	KTUFPECABLZRAF-QGZVFWFLSA-N	0	3	307.397	2.935	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](N[C@H]3CCC34CCC4)C2=O)cc1	ZINC000282864786	217285220	/nfs/dbraw/zinc/28/52/20/217285220.db2.gz	UWTXXUACGFWDGL-IRXDYDNUSA-N	0	3	309.413	2.581	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cc1C#N	ZINC000282922442	217327394	/nfs/dbraw/zinc/32/73/94/217327394.db2.gz	FDLHHTTVSIQQRY-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](c3cc(C)n[nH]3)C2)cc1C#N	ZINC000282922442	217327398	/nfs/dbraw/zinc/32/73/98/217327398.db2.gz	FDLHHTTVSIQQRY-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N2CCCN(C)C[C@@H]2CC)cc1	ZINC000614341566	399214406	/nfs/dbraw/zinc/21/44/06/399214406.db2.gz	RHPQPKDUAPDXKS-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CCCCCNC(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000274598003	211746291	/nfs/dbraw/zinc/74/62/91/211746291.db2.gz	QOCGFVKGUNPFKT-UHFFFAOYSA-N	0	3	319.449	2.783	20	30		DFEDHN
C#CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000192044235	335022827	/nfs/dbraw/zinc/02/28/27/335022827.db2.gz	PIDNPVRZVKNWDT-UHFFFAOYSA-N	0	3	313.445	2.879	20	30		DFEDHN
COCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1	ZINC000618779759	399234572	/nfs/dbraw/zinc/23/45/72/399234572.db2.gz	DLJUJIMQOGCPPT-KRWDZBQOSA-N	0	3	302.418	2.725	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc(C#N)c2ccsc21	ZINC000601126544	399235070	/nfs/dbraw/zinc/23/50/70/399235070.db2.gz	SYNQWKRJROZDCZ-RISCZKNCSA-N	0	3	300.431	2.944	20	30		DFEDHN
C[C@](CO)(Cc1ccccc1F)NCc1ccc(C#N)s1	ZINC000601154150	399243273	/nfs/dbraw/zinc/24/32/73/399243273.db2.gz	YHEAJKDYIHRKRY-MRXNPFEDSA-N	0	3	304.390	2.842	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(C#N)cc1	ZINC000267553032	206140939	/nfs/dbraw/zinc/14/09/39/206140939.db2.gz	CWFJBACCWHKVQB-WGDYAQENSA-N	0	3	309.413	2.657	20	30		DFEDHN
CN1CCN(c2cc(C#N)nc(C3CC3)n2)CC12CCCCC2	ZINC000601170501	399246937	/nfs/dbraw/zinc/24/69/37/399246937.db2.gz	CBTRGLRIABSINI-UHFFFAOYSA-N	0	3	311.433	2.680	20	30		DFEDHN
C=C(Cl)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000286171437	335032662	/nfs/dbraw/zinc/03/26/62/335032662.db2.gz	WUUXWRPCORDYFF-GOSISDBHSA-N	0	3	319.880	2.631	20	30		DFEDHN
C[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N1[C@H](C)CC[C@@H]1C	ZINC000618893582	399253869	/nfs/dbraw/zinc/25/38/69/399253869.db2.gz	PFTIWDOIYQZGRT-NPSOMJIGSA-N	0	3	311.429	2.923	20	30		DFEDHN
C[C@H](NC[C@H](O)COCc1ccccc1)c1ccc(C#N)cc1	ZINC000030532615	182591416	/nfs/dbraw/zinc/59/14/16/182591416.db2.gz	DVBQWVHCSQQACT-KXBFYZLASA-N	0	3	310.397	2.787	20	30		DFEDHN
C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC	ZINC000614674778	399258166	/nfs/dbraw/zinc/25/81/66/399258166.db2.gz	OFPRNGBQILPXEQ-DOTOQJQBSA-N	0	3	324.852	2.776	20	30		DFEDHN
CN1CCC(n2cc(Nc3ncc(C#N)cc3Cl)cn2)CC1	ZINC000601225556	399258492	/nfs/dbraw/zinc/25/84/92/399258492.db2.gz	GJVMQBMJYNFXDV-UHFFFAOYSA-N	0	3	316.796	2.813	20	30		DFEDHN
Cc1cccnc1[C@H]1CCC[C@H](N2CCN(CCC#N)CC2)C1	ZINC000601316110	399276391	/nfs/dbraw/zinc/27/63/91/399276391.db2.gz	GXJQIWXBBRDZTG-ROUUACIJSA-N	0	3	312.461	2.948	20	30		DFEDHN
COCCO[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614923982	399281743	/nfs/dbraw/zinc/28/17/43/399281743.db2.gz	YNRNXWVDFBFDFA-KRWDZBQOSA-N	0	3	302.418	2.725	20	30		DFEDHN
COC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCO1	ZINC000619060424	399286631	/nfs/dbraw/zinc/28/66/31/399286631.db2.gz	YTWJDEMQDAQSSL-IAGOWNOFSA-N	0	3	302.418	2.771	20	30		DFEDHN
CC1CCN(CCNC(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609163458	399307327	/nfs/dbraw/zinc/30/73/27/399307327.db2.gz	MDVTYVOELNJJGU-UHFFFAOYSA-N	0	3	324.428	2.627	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)oc1C	ZINC000601622724	399310536	/nfs/dbraw/zinc/31/05/36/399310536.db2.gz	UEBZAZOXKWSXCC-UHFFFAOYSA-N	0	3	313.357	2.782	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000609589149	399325315	/nfs/dbraw/zinc/32/53/15/399325315.db2.gz	ISDOUPNCMKWYNZ-BXKDBHETSA-N	0	3	312.200	2.626	20	30		DFEDHN
CC(C)c1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)on1	ZINC000619291314	399325642	/nfs/dbraw/zinc/32/56/42/399325642.db2.gz	JCDJZSJQFNUBIE-OAHLLOKOSA-N	0	3	322.368	2.668	20	30		DFEDHN
Cc1noc(C)c1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619291443	399325756	/nfs/dbraw/zinc/32/57/56/399325756.db2.gz	SAPQMWAYIJXMHP-BDJLRTHQSA-N	0	3	322.368	2.723	20	30		DFEDHN
C=CCCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000609800255	399331710	/nfs/dbraw/zinc/33/17/10/399331710.db2.gz	WZFQLUOBMXXWMB-HNNXBMFYSA-N	0	3	302.418	2.950	20	30		DFEDHN
Cc1ncc([C@@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000601764011	399332212	/nfs/dbraw/zinc/33/22/12/399332212.db2.gz	ATIBOCLZCJKTJB-IAQYHMDHSA-N	0	3	324.409	2.883	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(C(C)(C)C)cc1	ZINC000610011533	399338896	/nfs/dbraw/zinc/33/88/96/399338896.db2.gz	BXWSGBPSTFNFNX-WFASDCNBSA-N	0	3	316.401	2.864	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C2CC2)CC1	ZINC000287255907	335042403	/nfs/dbraw/zinc/04/24/03/335042403.db2.gz	KJJWNEDWUIDVDZ-SFHVURJKSA-N	0	3	310.441	2.612	20	30		DFEDHN
Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)nc1	ZINC000619415355	399341907	/nfs/dbraw/zinc/34/19/07/399341907.db2.gz	QNAQIIXLIZNRDE-KRWDZBQOSA-N	0	3	318.380	2.603	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](C)c2cc(OC)ncc2F)CC1	ZINC000287284005	335042642	/nfs/dbraw/zinc/04/26/42/335042642.db2.gz	BQSXXWUMOWZPKA-CYBMUJFWSA-N	0	3	307.413	2.920	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610177366	399345506	/nfs/dbraw/zinc/34/55/06/399345506.db2.gz	GZYAMSICVJXDGJ-GOEBONIOSA-N	0	3	324.428	2.577	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610177365	399345553	/nfs/dbraw/zinc/34/55/53/399345553.db2.gz	GZYAMSICVJXDGJ-GDBMZVCRSA-N	0	3	324.428	2.577	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCC(=O)NC1CCCC1	ZINC000619508354	399355020	/nfs/dbraw/zinc/35/50/20/399355020.db2.gz	FIKHSULGDVUYCZ-SFHVURJKSA-N	0	3	311.429	2.974	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC[C@H]1CCOC1	ZINC000619508296	399355279	/nfs/dbraw/zinc/35/52/79/399355279.db2.gz	ROLISFXWKNHQFX-LPHOPBHVSA-N	0	3	314.429	2.968	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC[C@@H]1CCOC1	ZINC000619508298	399355321	/nfs/dbraw/zinc/35/53/21/399355321.db2.gz	ROLISFXWKNHQFX-VQIMIIECSA-N	0	3	314.429	2.968	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610351955	399359783	/nfs/dbraw/zinc/35/97/83/399359783.db2.gz	WEVOVMNSOMFXJT-YOEHRIQHSA-N	0	3	314.433	2.793	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN[C@H](CCO)c2ccccc2)cc1	ZINC000271665359	209106639	/nfs/dbraw/zinc/10/66/39/209106639.db2.gz	LWTMFWICJDCHET-GOSISDBHSA-N	0	3	323.396	2.600	20	30		DFEDHN
N#CC1(CCCN2CCC[C@@H](OC(F)F)C2)CCOCC1	ZINC000619621189	399368970	/nfs/dbraw/zinc/36/89/70/399368970.db2.gz	DIAZHQGCOHWQKL-CYBMUJFWSA-N	0	3	302.365	2.791	20	30		DFEDHN
CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000615697543	399374681	/nfs/dbraw/zinc/37/46/81/399374681.db2.gz	KAQCLGPQVGNNPI-KGLIPLIRSA-N	0	3	315.417	2.687	20	30		DFEDHN
C[C@H]1CN(C(C)(C)CNCc2cccc(F)c2C#N)C[C@H](C)O1	ZINC000601995555	399378075	/nfs/dbraw/zinc/37/80/75/399378075.db2.gz	DWPFQGFJSVMDTC-KBPBESRZSA-N	0	3	319.424	2.675	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1CCOc1ccccc1C#N	ZINC000610582881	399382257	/nfs/dbraw/zinc/38/22/57/399382257.db2.gz	DTXYMODIAUDPLL-QZTJIDSGSA-N	0	3	313.445	2.886	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)ccc1Cl	ZINC000285113862	218295636	/nfs/dbraw/zinc/29/56/36/218295636.db2.gz	JNHXSROSSLFRJZ-GFCCVEGCSA-N	0	3	305.809	2.816	20	30		DFEDHN
C=CCSCCNC(=O)N1C[C@H]2CCCCN2C[C@H]1CC	ZINC000610586056	399383345	/nfs/dbraw/zinc/38/33/45/399383345.db2.gz	JPNULQKHSSXSFN-HUUCEWRRSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1	ZINC000623415541	399384092	/nfs/dbraw/zinc/38/40/92/399384092.db2.gz	OODYGNMHYGHSAT-HNNXBMFYSA-N	0	3	301.434	2.856	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccsc1	ZINC000619783253	399391391	/nfs/dbraw/zinc/39/13/91/399391391.db2.gz	PYDDCIFFNCEWNV-CJNGLKHVSA-N	0	3	316.426	2.905	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000610674008	399391340	/nfs/dbraw/zinc/39/13/40/399391340.db2.gz	RVHPOCYRDQKAES-IINYFYTJSA-N	0	3	306.797	2.673	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)c(F)c1)Cc1ccccn1	ZINC000421357703	269685180	/nfs/dbraw/zinc/68/51/80/269685180.db2.gz	PZYPTUHPQMIXSS-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
CC1CC(C#N)(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1	ZINC000610713300	399396976	/nfs/dbraw/zinc/39/69/76/399396976.db2.gz	GRAFDAISKVQSQS-RMXPPQQLSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H](CO)CC=C)cc1OC	ZINC000623491340	399400969	/nfs/dbraw/zinc/40/09/69/399400969.db2.gz	POMAGQFNRYRXFG-ZDUSSCGKSA-N	0	3	311.809	2.940	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]2C2CCCC2)CCCCC1	ZINC000056308605	184009937	/nfs/dbraw/zinc/00/99/37/184009937.db2.gz	CISSJSHALYDXJE-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCn2nccc21	ZINC000602215722	399410636	/nfs/dbraw/zinc/41/06/36/399410636.db2.gz	YFTBNOWWILBEPA-CVEARBPZSA-N	0	3	308.385	2.607	20	30		DFEDHN
C=CCNC(=O)CNC(C)(C)c1ccc(Br)cc1	ZINC000616012350	399411862	/nfs/dbraw/zinc/41/18/62/399411862.db2.gz	VCRFLPUEXTXLNU-UHFFFAOYSA-N	0	3	311.223	2.576	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H]2CCC[C@H]2O)cc1OC	ZINC000623545692	399413007	/nfs/dbraw/zinc/41/30/07/399413007.db2.gz	ZDFYUWXQWUCTJE-ZIAGYGMSSA-N	0	3	311.809	2.916	20	30		DFEDHN
CCOC(=O)CCN(CC#Cc1ccc(F)cc1)CC1CC1	ZINC000610953247	399421309	/nfs/dbraw/zinc/42/13/09/399421309.db2.gz	WGSOMSVRVMAPHF-UHFFFAOYSA-N	0	3	303.377	2.842	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H](CCO)COC)cc1	ZINC000268993190	207149860	/nfs/dbraw/zinc/14/98/60/207149860.db2.gz	HKAZPQFPYLOHER-UKRRQHHQSA-N	0	3	313.825	2.866	20	30		DFEDHN
CCN1C[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000610972578	399423699	/nfs/dbraw/zinc/42/36/99/399423699.db2.gz	VQJFSYZSKKCENS-UAGQMJEPSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610985476	399424305	/nfs/dbraw/zinc/42/43/05/399424305.db2.gz	AXKKCSHIKYPDST-CQSZACIVSA-N	0	3	302.422	2.601	20	30		DFEDHN
Cc1cnc(CN(C)[C@H]2CCN(CC(C)(C)CCC#N)C2)o1	ZINC000610939204	399419772	/nfs/dbraw/zinc/41/97/72/399419772.db2.gz	YCUVQZIPCLSSCF-HNNXBMFYSA-N	0	3	304.438	2.819	20	30		DFEDHN
Cc1cccc(NC[C@H]2CCN(Cc3ccnc(C#N)c3)C2)n1	ZINC000610993538	399425706	/nfs/dbraw/zinc/42/57/06/399425706.db2.gz	WUKJGVXDFPGHGF-MRXNPFEDSA-N	0	3	307.401	2.591	20	30		DFEDHN
N#Cc1cc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccn1	ZINC000610991948	399426209	/nfs/dbraw/zinc/42/62/09/399426209.db2.gz	XFQOVGXNBUFOMY-IRXDYDNUSA-N	0	3	304.397	2.521	20	30		DFEDHN
N#Cc1n[nH]cc1NC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000602361047	399430961	/nfs/dbraw/zinc/43/09/61/399430961.db2.gz	BQLVRPMRIAYDFB-UHFFFAOYSA-N	0	3	309.373	2.520	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1C	ZINC000611092424	399433866	/nfs/dbraw/zinc/43/38/66/399433866.db2.gz	UEAAKCXFGTZYEB-LBPRGKRZSA-N	0	3	309.360	2.686	20	30		DFEDHN
CCN(CC(=O)NCc1ccc(F)cc1)C[C@H](C)CCC#N	ZINC000602435966	399442917	/nfs/dbraw/zinc/44/29/17/399442917.db2.gz	WZXNPSVHIFRYQN-CQSZACIVSA-N	0	3	305.397	2.704	20	30		DFEDHN
CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CCOCC1	ZINC000602439378	399444102	/nfs/dbraw/zinc/44/41/02/399444102.db2.gz	DBWCTVUUDWZUQR-IBGZPJMESA-N	0	3	314.429	2.964	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(c2cccc(F)c2C#N)CC1	ZINC000602445560	399446077	/nfs/dbraw/zinc/44/60/77/399446077.db2.gz	RBVVZVBFQGATRK-CQSZACIVSA-N	0	3	300.381	2.759	20	30		DFEDHN
Cc1ccnc(NC[C@H]2CCN(Cc3cccc(C#N)n3)C2)c1	ZINC000602459191	399450275	/nfs/dbraw/zinc/45/02/75/399450275.db2.gz	QRDIMWOEJGJVBF-OAHLLOKOSA-N	0	3	307.401	2.591	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000620183944	399455909	/nfs/dbraw/zinc/45/59/09/399455909.db2.gz	RPZATKIVKDNEIE-KRWDZBQOSA-N	0	3	302.418	2.532	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1OC	ZINC000623752381	399458488	/nfs/dbraw/zinc/45/84/88/399458488.db2.gz	DXVDJLIJKGPQJZ-RDJZCZTQSA-N	0	3	303.402	2.917	20	30		DFEDHN
CN(C)[C@@H](CNCc1cccc(C#N)n1)c1ccccc1Cl	ZINC000602499239	399461174	/nfs/dbraw/zinc/46/11/74/399461174.db2.gz	QAXPMTUWIYQPAE-KRWDZBQOSA-N	0	3	314.820	2.999	20	30		DFEDHN
Cc1nnsc1CNCCSCc1ccccc1C#N	ZINC000602502180	399462012	/nfs/dbraw/zinc/46/20/12/399462012.db2.gz	IWDHMGSQWAMMTC-UHFFFAOYSA-N	0	3	304.444	2.741	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1nc2c(s1)CCCC2	ZINC000611326563	399462402	/nfs/dbraw/zinc/46/24/02/399462402.db2.gz	JWETXUDCBFWFCC-GFCCVEGCSA-N	0	3	304.463	2.660	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)OCO2	ZINC000602506423	399463496	/nfs/dbraw/zinc/46/34/96/399463496.db2.gz	VCECJKJFXZGWMY-CYBMUJFWSA-N	0	3	302.374	2.604	20	30		DFEDHN
COc1ccc(OCCN[C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602515404	399465503	/nfs/dbraw/zinc/46/55/03/399465503.db2.gz	XJSZZRDUWPAWET-HNNXBMFYSA-N	0	3	318.417	2.763	20	30		DFEDHN
COc1ccccc1OCCN[C@@H](C)CC1(C#N)CCOCC1	ZINC000602508955	399464190	/nfs/dbraw/zinc/46/41/90/399464190.db2.gz	PIOJSIXEYFWCOF-HNNXBMFYSA-N	0	3	318.417	2.763	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(F)cc1	ZINC000602512842	399464854	/nfs/dbraw/zinc/46/48/54/399464854.db2.gz	VHJFJYAQERDMJP-AWEZNQCLSA-N	0	3	306.381	2.893	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1	ZINC000602529186	399468650	/nfs/dbraw/zinc/46/86/50/399468650.db2.gz	FLXRTCOZBWRYCE-CJNGLKHVSA-N	0	3	321.371	2.692	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1	ZINC000287668385	335046668	/nfs/dbraw/zinc/04/66/68/335046668.db2.gz	VRQJZWGJZCZYLH-IRXDYDNUSA-N	0	3	323.458	2.697	20	30		DFEDHN
C[C@H](CO[C@@H]1CCOC1)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000611393948	399469384	/nfs/dbraw/zinc/46/93/84/399469384.db2.gz	VBZRIIYFMWMTBF-QBIMZIAESA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@H](CC1CC1)c1ccccc1)C1CC1	ZINC000611395454	399470198	/nfs/dbraw/zinc/47/01/98/399470198.db2.gz	BRBHXHUFYOZXGD-MJGOQNOKSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1OCCc2ccccc21	ZINC000602547054	399472257	/nfs/dbraw/zinc/47/22/57/399472257.db2.gz	PCUQBLXQMZGQEW-MAUKXSAKSA-N	0	3	314.429	2.989	20	30		DFEDHN
CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@H](N)CCCC#N	ZINC000602545563	399472290	/nfs/dbraw/zinc/47/22/90/399472290.db2.gz	FUGCNPPBZNCLJB-QGZVFWFLSA-N	0	3	319.424	2.874	20	30		DFEDHN
CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H](N)CCCC#N	ZINC000602555567	399474386	/nfs/dbraw/zinc/47/43/86/399474386.db2.gz	IUAXYPDWAYZNAE-JKSUJKDBSA-N	0	3	317.408	2.941	20	30		DFEDHN
COC(=O)c1csc(CNCCOc2ccc(C#N)cc2)c1	ZINC000602557901	399474983	/nfs/dbraw/zinc/47/49/83/399474983.db2.gz	MHMALOZPMWHSDS-UHFFFAOYSA-N	0	3	316.382	2.575	20	30		DFEDHN
CN1CC=C(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000611429367	399475410	/nfs/dbraw/zinc/47/54/10/399475410.db2.gz	GHHSOKPMUWPEGS-UHFFFAOYSA-N	0	3	324.211	2.857	20	30		DFEDHN
CC[C@@H](NCc1ccc(C#N)cc1F)C1(C(=O)OC)CCC1	ZINC000611524525	399488070	/nfs/dbraw/zinc/48/80/70/399488070.db2.gz	NQCFWLDIDDEJHZ-OAHLLOKOSA-N	0	3	304.365	2.909	20	30		DFEDHN
C=CCOCCNCc1ccc(OC)c2oc(C(=O)OC)cc21	ZINC000611543864	399490138	/nfs/dbraw/zinc/49/01/38/399490138.db2.gz	AFUBBNYYMWHUCG-UHFFFAOYSA-N	0	3	319.357	2.520	20	30		DFEDHN
N#Cc1cccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)n1	ZINC000602618965	399492403	/nfs/dbraw/zinc/49/24/03/399492403.db2.gz	ULEFNDXINOUMMD-IBGZPJMESA-N	0	3	307.397	2.726	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000611624112	399500332	/nfs/dbraw/zinc/50/03/32/399500332.db2.gz	VXWCASYNGOIJMC-DOTOQJQBSA-N	0	3	314.433	2.672	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)n1	ZINC000602655120	399503758	/nfs/dbraw/zinc/50/37/58/399503758.db2.gz	ZBCSHWUSJSVVAT-HNNXBMFYSA-N	0	3	321.428	2.866	20	30		DFEDHN
CCn1ccnc1[C@@H](NC[C@H](C)CCC#N)C1CCOCC1	ZINC000602652832	399503766	/nfs/dbraw/zinc/50/37/66/399503766.db2.gz	ZLNKFNUUYFYGOB-ZBFHGGJFSA-N	0	3	304.438	2.900	20	30		DFEDHN
COC(=O)c1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602658694	399505963	/nfs/dbraw/zinc/50/59/63/399505963.db2.gz	HYEAKGHQXYQWJT-CQSZACIVSA-N	0	3	316.401	2.662	20	30		DFEDHN
CCn1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)c1	ZINC000616786102	399512660	/nfs/dbraw/zinc/51/26/60/399512660.db2.gz	HKDBQZVUWLVZEG-UHFFFAOYSA-N	0	3	310.401	2.840	20	30		DFEDHN
CCN(CCc1nccs1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000269960198	208010767	/nfs/dbraw/zinc/01/07/67/208010767.db2.gz	SLXXBWLZPBLWNE-OAHLLOKOSA-N	0	3	301.415	2.613	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1COCc2ccccc21	ZINC000602694809	399524458	/nfs/dbraw/zinc/52/44/58/399524458.db2.gz	KAEITXPMBKGKQY-WMLDXEAASA-N	0	3	300.402	2.946	20	30		DFEDHN
N#Cc1cccc(CNCC[C@@H]2CSc3ccccc3O2)n1	ZINC000602700162	399526604	/nfs/dbraw/zinc/52/66/04/399526604.db2.gz	LBPIFRAYBBALJY-OAHLLOKOSA-N	0	3	311.410	2.986	20	30		DFEDHN
C=CCCOCCNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000270211139	208277917	/nfs/dbraw/zinc/27/79/17/208277917.db2.gz	KLQNJZOBWYMXET-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
Cc1ccncc1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1	ZINC000611939038	399545890	/nfs/dbraw/zinc/54/58/90/399545890.db2.gz	MQBXZTLMRJKDCK-CQSZACIVSA-N	0	3	308.385	2.941	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000286367594	218943899	/nfs/dbraw/zinc/94/38/99/218943899.db2.gz	YMZCUPVTHRHVMW-CABCVRRESA-N	0	3	303.431	2.761	20	30		DFEDHN
C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000158915272	197311666	/nfs/dbraw/zinc/31/16/66/197311666.db2.gz	JEYCDBUGJKLWLR-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)CO1	ZINC000602764124	399560930	/nfs/dbraw/zinc/56/09/30/399560930.db2.gz	CDYPVHAQHXCXBX-QGZVFWFLSA-N	0	3	302.418	2.822	20	30		DFEDHN
COCC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(C)o1	ZINC000273316431	285138911	/nfs/dbraw/zinc/13/89/11/285138911.db2.gz	QYHZAWDXOACUGE-SJORKVTESA-N	0	3	314.385	2.861	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288081749	335049793	/nfs/dbraw/zinc/04/97/93/335049793.db2.gz	FZYWVGKFYNXEAE-JFIYKMOQSA-N	0	3	316.445	2.747	20	30		DFEDHN
CCN(C[C@@H]1CCN(CC2(CC#N)CC2)C1)CC(F)(F)F	ZINC000602778501	399569354	/nfs/dbraw/zinc/56/93/54/399569354.db2.gz	LYTHKSCFDAOGBJ-ZDUSSCGKSA-N	0	3	303.372	2.886	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1OC	ZINC000193505849	335051103	/nfs/dbraw/zinc/05/11/03/335051103.db2.gz	ABXIEBGFFFDSSR-LSDHHAIUSA-N	0	3	319.401	2.691	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)cc2NC2CC2)CC1	ZINC000157511081	197192597	/nfs/dbraw/zinc/19/25/97/197192597.db2.gz	ZBSOJTYBRAVDLO-UHFFFAOYSA-N	0	3	315.392	2.684	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3ccncc3)CC2)cc1F	ZINC000602849965	399601475	/nfs/dbraw/zinc/60/14/75/399601475.db2.gz	SFMDCVWQIDYIOW-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000155245708	197035705	/nfs/dbraw/zinc/03/57/05/197035705.db2.gz	MAIQQAJTBRJFSZ-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
Cn1ccnc1[C@H](NCCCCC(C)(C)C#N)C(C)(C)CO	ZINC000602883353	399615235	/nfs/dbraw/zinc/61/52/35/399615235.db2.gz	SVZVWAWXYHIETR-AWEZNQCLSA-N	0	3	306.454	2.789	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2cccc(OC(C)C)c2)C1	ZINC000625699636	399615534	/nfs/dbraw/zinc/61/55/34/399615534.db2.gz	BMMPDKXXBHZPQX-MRXNPFEDSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@H]2CCOc3ccccc32)C1	ZINC000625702382	399617133	/nfs/dbraw/zinc/61/71/33/399617133.db2.gz	XZIKLLXKSOISPT-HOCLYGCPSA-N	0	3	300.402	2.524	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCCc2c(F)cccc2F)C1	ZINC000625701875	399617737	/nfs/dbraw/zinc/61/77/37/399617737.db2.gz	UCQGYQBXXPNHOF-ZDUSSCGKSA-N	0	3	308.372	2.522	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1	ZINC000625700764	399617203	/nfs/dbraw/zinc/61/72/03/399617203.db2.gz	LJVHOLDZCGQVDB-DGTBMVLOSA-N	0	3	302.462	2.969	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1	ZINC000625702378	399617265	/nfs/dbraw/zinc/61/72/65/399617265.db2.gz	XZIKLLXKSOISPT-GDBMZVCRSA-N	0	3	300.402	2.524	20	30		DFEDHN
C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261448	399619249	/nfs/dbraw/zinc/61/92/49/399619249.db2.gz	SILJFYPPMFTJBT-OLZOCXBDSA-N	0	3	304.390	2.587	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C1CC1	ZINC000271615908	209062238	/nfs/dbraw/zinc/06/22/38/209062238.db2.gz	XNXKCWRDDAIHOK-KRWDZBQOSA-N	0	3	301.434	2.958	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000288504550	335055832	/nfs/dbraw/zinc/05/58/32/335055832.db2.gz	IGBWATNUIMVHJO-ICSRJNTNSA-N	0	3	323.392	2.673	20	30		DFEDHN
CN(C)c1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cn1	ZINC000602907252	399621800	/nfs/dbraw/zinc/62/18/00/399621800.db2.gz	QVJNTVGQVZQKLO-UHFFFAOYSA-N	0	3	321.428	2.794	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccc(F)cn2)CC1	ZINC000602902476	399621380	/nfs/dbraw/zinc/62/13/80/399621380.db2.gz	CAINWFAHYBNDGW-OAHLLOKOSA-N	0	3	305.397	2.701	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC(SC)CC1	ZINC000602921446	399627855	/nfs/dbraw/zinc/62/78/55/399627855.db2.gz	ZNWBKZZTCDQWNE-UHFFFAOYSA-N	0	3	306.431	2.773	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000289625656	221111922	/nfs/dbraw/zinc/11/19/22/221111922.db2.gz	DXBCRVQXOTYKEZ-UHFFFAOYSA-N	0	3	304.369	2.551	20	30		DFEDHN
N#CCSCCCN[C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924424	399628827	/nfs/dbraw/zinc/62/88/27/399628827.db2.gz	IGLWXONEFZZZAZ-ZDUSSCGKSA-N	0	3	318.364	2.975	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@@H](CO)C2CCCC2)c1	ZINC000289711292	221171716	/nfs/dbraw/zinc/17/17/16/221171716.db2.gz	YPINWPBTSOYIFN-HNNXBMFYSA-N	0	3	323.234	2.961	20	30		DFEDHN
N#CCCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000612371881	399635611	/nfs/dbraw/zinc/63/56/11/399635611.db2.gz	DKOGCUHYRNZJQP-KRWDZBQOSA-N	0	3	314.433	2.817	20	30		DFEDHN
C#C[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000289343834	335058152	/nfs/dbraw/zinc/05/81/52/335058152.db2.gz	IERZHQYGCAGFDX-MRXNPFEDSA-N	0	3	312.373	2.743	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CCC(CCF)CC2)cc1	ZINC000602952027	399637045	/nfs/dbraw/zinc/63/70/45/399637045.db2.gz	XKBIJALVFYKERN-KRWDZBQOSA-N	0	3	320.408	2.564	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c(F)c1	ZINC000289951588	221337737	/nfs/dbraw/zinc/33/77/37/221337737.db2.gz	UVYMWOYNAPXRAV-HKUYNNGSSA-N	0	3	310.372	2.953	20	30		DFEDHN
C#Cc1ccc(CN(C)C[C@H](O)COCc2ccccc2)cc1	ZINC000289085967	335060110	/nfs/dbraw/zinc/06/01/10/335060110.db2.gz	KUXLEEOKRGXUDS-FQEVSTJZSA-N	0	3	309.409	2.677	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603079482	399674986	/nfs/dbraw/zinc/67/49/86/399674986.db2.gz	URUNTBDMGRLYMH-LBPRGKRZSA-N	0	3	304.369	2.503	20	30		DFEDHN
CC(C)N1CCCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603288014	399733083	/nfs/dbraw/zinc/73/30/83/399733083.db2.gz	GYQOAHHTSCDBDO-UHFFFAOYSA-N	0	3	323.238	2.636	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2cc(C#N)c(Br)cn2)CCN1C	ZINC000603296969	399735311	/nfs/dbraw/zinc/73/53/11/399735311.db2.gz	MXUJNVPTAGWECW-CMPLNLGQSA-N	0	3	323.238	2.635	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000121747686	195339751	/nfs/dbraw/zinc/33/97/51/195339751.db2.gz	OIPVSHRYWRANJD-KRWDZBQOSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#Cc1c(-n2cccc2)cccc1N1CC[C@@H](N2CC=CC2)C1	ZINC000603302541	399737600	/nfs/dbraw/zinc/73/76/00/399737600.db2.gz	GPORPNGZHOELFI-MRXNPFEDSA-N	0	3	304.397	2.799	20	30		DFEDHN
C#Cc1ccc(CNC[C@H](O)c2cc(OC)ccc2OC)cc1	ZINC000289372219	335062829	/nfs/dbraw/zinc/06/28/29/335062829.db2.gz	ZVZKNOJXJBHIBM-SFHVURJKSA-N	0	3	311.381	2.508	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2c(C#N)cnn2-c2ccccc2)CN1C1CC1	ZINC000603307974	399739489	/nfs/dbraw/zinc/73/94/89/399739489.db2.gz	DQUNARXOXQJUHJ-UKRRQHHQSA-N	0	3	307.401	2.781	20	30		DFEDHN
C=CCN(C(=O)C[C@H](c1ccccc1)N(C)C)[C@@H](C)COC	ZINC000617582611	399748932	/nfs/dbraw/zinc/74/89/32/399748932.db2.gz	QKZNSYBEGMQDTB-DOTOQJQBSA-N	0	3	304.434	2.729	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292833180	533566897	/nfs/dbraw/zinc/56/68/97/533566897.db2.gz	RMLHSYJRZRCYBN-QGZVFWFLSA-N	0	3	323.396	2.924	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301956525	533660892	/nfs/dbraw/zinc/66/08/92/533660892.db2.gz	KYGWAJOJLINUTB-ZBFHGGJFSA-N	0	3	307.401	2.813	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1	ZINC000603433884	399775281	/nfs/dbraw/zinc/77/52/81/399775281.db2.gz	XDJFCMOVSQKYCM-MRXNPFEDSA-N	0	3	303.402	2.506	20	30		DFEDHN
Cc1cc(F)ccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000156636596	542703077	/nfs/dbraw/zinc/70/30/77/542703077.db2.gz	HLKZIMCLKSSJNM-CQSZACIVSA-N	0	3	312.348	2.942	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c1	ZINC000289762117	335065320	/nfs/dbraw/zinc/06/53/20/335065320.db2.gz	RASNMJNXQOAJHW-FUHWJXTLSA-N	0	3	316.445	2.546	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCCc2nnc(C)s2)cc1	ZINC000289924963	335067278	/nfs/dbraw/zinc/06/72/78/335067278.db2.gz	VDQXXUXDKSEJCN-GFCCVEGCSA-N	0	3	301.415	2.752	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1OC	ZINC000613301125	399844811	/nfs/dbraw/zinc/84/48/11/399844811.db2.gz	UCABMGFAVNMDDZ-AWEZNQCLSA-N	0	3	316.405	2.563	20	30		DFEDHN
C=C1CC(C)(C(=O)N(C)CCCN(C)Cc2ccncc2)C1	ZINC000633107948	399847311	/nfs/dbraw/zinc/84/73/11/399847311.db2.gz	WHQHPCZKLIFAGV-UHFFFAOYSA-N	0	3	301.434	2.718	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCCOc2ccccc21	ZINC000329451449	543104059	/nfs/dbraw/zinc/10/40/59/543104059.db2.gz	MBQSTONAHXUAEA-CZUORRHYSA-N	0	3	315.417	2.641	20	30		DFEDHN
C[C@@H](CNC(=O)c1csc(NC2CC2)n1)N1CCC[C@@H](C)C1	ZINC000329441689	543104187	/nfs/dbraw/zinc/10/41/87/543104187.db2.gz	BKIGTRBGWNEIAH-NEPJUHHUSA-N	0	3	322.478	3.142	20	30		DFEDHN
Cn1cc([C@H]2CCCN(CCOc3ccccc3C#N)C2)cn1	ZINC000604556224	399855626	/nfs/dbraw/zinc/85/56/26/399855626.db2.gz	BTXCPMVRWKOOPG-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
Cn1cc([C@@H]2CCCN(CCOc3ccccc3C#N)C2)cn1	ZINC000604556225	399855752	/nfs/dbraw/zinc/85/57/52/399855752.db2.gz	BTXCPMVRWKOOPG-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1	ZINC000633156593	399859604	/nfs/dbraw/zinc/85/96/04/399859604.db2.gz	DLLDNCTYGAXMMN-MRXNPFEDSA-N	0	3	300.402	2.548	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000172909784	145324206	/nfs/dbraw/zinc/32/42/06/145324206.db2.gz	JVPABKCAVSSKJM-BEFAXECRSA-N	0	3	322.408	2.745	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000174547173	145384246	/nfs/dbraw/zinc/38/42/46/145384246.db2.gz	IFYHIZWDZKIWJF-XQQFMLRXSA-N	0	3	303.381	2.575	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)OCc2cccc(C)c2)CC1	ZINC000630944132	399951204	/nfs/dbraw/zinc/95/12/04/399951204.db2.gz	SRJNFYQDNKFTRE-INIZCTEOSA-N	0	3	316.445	2.667	20	30		DFEDHN
CCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C	ZINC000633894596	399958716	/nfs/dbraw/zinc/95/87/16/399958716.db2.gz	OBMIJFGKPITIKZ-GFCCVEGCSA-N	0	3	307.357	2.588	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000628544241	400039452	/nfs/dbraw/zinc/03/94/52/400039452.db2.gz	SQELFFPTQQTLCE-AEFFLSMTSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634274109	400008355	/nfs/dbraw/zinc/00/83/55/400008355.db2.gz	LYLFEGFXHDSEII-WMZOPIPTSA-N	0	3	316.445	2.667	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(Br)ccc1F	ZINC000424091128	543342123	/nfs/dbraw/zinc/34/21/23/543342123.db2.gz	ZCUQTPWGJQAYJP-JTQLQIEISA-N	0	3	314.158	2.548	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1	ZINC000631631613	400060056	/nfs/dbraw/zinc/06/00/56/400060056.db2.gz	KHHDYMOERGYRPD-UHFFFAOYSA-N	0	3	314.429	2.938	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC[C@H](C)C1	ZINC000246001963	146113322	/nfs/dbraw/zinc/11/33/22/146113322.db2.gz	FUAUQENVUQSPOM-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000246229286	146132565	/nfs/dbraw/zinc/13/25/65/146132565.db2.gz	FSWLLJCXAFDKCQ-FUHWJXTLSA-N	0	3	309.413	2.534	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C#N)c1	ZINC000248874835	146172951	/nfs/dbraw/zinc/17/29/51/146172951.db2.gz	QYPGTZACXYTJLT-DNVCBOLYSA-N	0	3	319.408	2.809	20	30		DFEDHN
CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000354763792	147141373	/nfs/dbraw/zinc/14/13/73/147141373.db2.gz	PMXJRHXHSKKCCO-QGZVFWFLSA-N	0	3	322.412	2.623	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)n1	ZINC000355468570	147328186	/nfs/dbraw/zinc/32/81/86/147328186.db2.gz	MGVBNBJYTWCOSN-IEBWSBKVSA-N	0	3	318.424	2.879	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000575489721	543452669	/nfs/dbraw/zinc/45/26/69/543452669.db2.gz	NOOHFDUIJAGQMG-IARIHHJXSA-N	0	3	317.458	2.797	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C)C2(CCCCC2)C1	ZINC000576715179	543453821	/nfs/dbraw/zinc/45/38/21/543453821.db2.gz	JRYXFSUETUATSL-QGZVFWFLSA-N	0	3	321.509	2.750	20	30		DFEDHN
CCCN(CCN1CCCC1)c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000357526079	148022520	/nfs/dbraw/zinc/02/25/20/148022520.db2.gz	DOTOARHJVZCVTL-UHFFFAOYSA-N	0	3	302.378	2.779	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1	ZINC000361251922	149066814	/nfs/dbraw/zinc/06/68/14/149066814.db2.gz	NSDMAKJXJWYLSR-OAHLLOKOSA-N	0	3	309.344	2.592	20	30		DFEDHN
C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000361349701	149092973	/nfs/dbraw/zinc/09/29/73/149092973.db2.gz	XGENSSFNPLOHIC-MJXNMMHHSA-N	0	3	308.381	2.636	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000361500860	149132869	/nfs/dbraw/zinc/13/28/69/149132869.db2.gz	JUNFPQVVSFWUJX-GOSISDBHSA-N	0	3	308.429	2.603	20	30		DFEDHN
COc1cnccc1N1CCN([C@@H](C)c2cccc(C#N)c2)CC1	ZINC000361518446	149136730	/nfs/dbraw/zinc/13/67/30/149136730.db2.gz	JOQUPWZFYDHRAH-HNNXBMFYSA-N	0	3	322.412	2.845	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2ccc(C#N)c(F)c2)CC1	ZINC000361753504	149209025	/nfs/dbraw/zinc/20/90/25/149209025.db2.gz	JWXGGAAYBTUESK-UHFFFAOYSA-N	0	3	303.381	2.576	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(C#N)c1	ZINC000362032664	149279989	/nfs/dbraw/zinc/27/99/89/149279989.db2.gz	OYWVSPDKIMMONJ-KDOFPFPSSA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1cc(C)n([C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000371160005	149997795	/nfs/dbraw/zinc/99/77/95/149997795.db2.gz	IKIMGMZNOSRBIM-MOPGFXCFSA-N	0	3	324.428	2.742	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000371343214	150026943	/nfs/dbraw/zinc/02/69/43/150026943.db2.gz	BHWQKPSXVSHWBL-USXIJHARSA-N	0	3	300.402	2.812	20	30		DFEDHN
N#Cc1ccc2ncc(CNC[C@H]3OCCc4ccccc43)n2c1	ZINC000371725523	150086225	/nfs/dbraw/zinc/08/62/25/150086225.db2.gz	XBDRDSHIKBZZJA-GOSISDBHSA-N	0	3	318.380	2.610	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC2(CCOCC2)[C@@H]1C	ZINC000371834890	150102868	/nfs/dbraw/zinc/10/28/68/150102868.db2.gz	OBYIOKMTXWGAJL-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC(c3cnccn3)CC2)cc1	ZINC000373762312	150253882	/nfs/dbraw/zinc/25/38/82/150253882.db2.gz	GGIHVOSUAWZSGW-UHFFFAOYSA-N	0	3	322.412	2.997	20	30		DFEDHN
C[C@H](CC(=O)OC(C)(C)C)NCCOc1ccc(C#N)cc1	ZINC000183905836	158025116	/nfs/dbraw/zinc/02/51/16/158025116.db2.gz	IXKDQFRUMPNHOY-CYBMUJFWSA-N	0	3	304.390	2.647	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H]1COc2ccccc21	ZINC000185606964	158065427	/nfs/dbraw/zinc/06/54/27/158065427.db2.gz	ZUFRTJNKKHJCAI-GUYCJALGSA-N	0	3	321.380	2.651	20	30		DFEDHN
C[C@H]1[C@H](C)N(Cc2ccc(C#N)cc2OC(F)F)CCN1C	ZINC000357005062	158344621	/nfs/dbraw/zinc/34/46/21/158344621.db2.gz	QRQBCRWYBDDHDJ-RYUDHWBXSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@H](NCCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1F	ZINC000358580591	158390828	/nfs/dbraw/zinc/39/08/28/158390828.db2.gz	YDKWDZJZXZYOAV-ZFWWWQNUSA-N	0	3	306.381	2.934	20	30		DFEDHN
COc1ccccc1[C@H](CNCc1cccc(C#N)c1)N(C)C	ZINC000053095292	425886913	/nfs/dbraw/zinc/88/69/13/425886913.db2.gz	NWQWPRJGFHZRRM-SFHVURJKSA-N	0	3	309.413	2.959	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H]2COC[C@@H]2OC)cc1	ZINC000290290066	335070848	/nfs/dbraw/zinc/07/08/48/335070848.db2.gz	XXJYDOFTQGZFKY-RCBQFDQVSA-N	0	3	311.809	2.882	20	30		DFEDHN
CN(CCNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000053751194	425888654	/nfs/dbraw/zinc/88/86/54/425888654.db2.gz	XIOXSWGBYHUUQF-UHFFFAOYSA-N	0	3	308.385	2.812	20	30		DFEDHN
C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc(C#N)c1	ZINC000132560126	196265032	/nfs/dbraw/zinc/26/50/32/196265032.db2.gz	KUYNYLIUCQZOAE-SWLSCSKDSA-N	0	3	315.417	2.821	20	30		DFEDHN
C#Cc1ccc(CNC[C@H](O)c2cc(OC)cc(OC)c2)cc1	ZINC000290524621	335072388	/nfs/dbraw/zinc/07/23/88/335072388.db2.gz	XTSADAVNIRDSQW-IBGZPJMESA-N	0	3	311.381	2.508	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)c2nc(C)cs2)CC1	ZINC000668370202	543798931	/nfs/dbraw/zinc/79/89/31/543798931.db2.gz	QBFSKUQQGHYPFS-CYBMUJFWSA-N	0	3	307.463	2.712	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1OC	ZINC000668595957	543834624	/nfs/dbraw/zinc/83/46/24/543834624.db2.gz	VXPYIHJLFGHWMF-CRAIPNDOSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cscn1)C(C)C	ZINC000668682400	543844824	/nfs/dbraw/zinc/84/48/24/543844824.db2.gz	GCUWVWUMMAEAON-OAHLLOKOSA-N	0	3	307.463	2.500	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)cc(OC)c1O	ZINC000668738892	543857908	/nfs/dbraw/zinc/85/79/08/543857908.db2.gz	KQHNUEDKKOMSGF-SCLBCKFNSA-N	0	3	305.418	2.580	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](C(=O)NC(C)C)C2)cc1	ZINC000668732286	543855751	/nfs/dbraw/zinc/85/57/51/543855751.db2.gz	OMZSCQCLOLBSJP-KRWDZBQOSA-N	0	3	316.445	2.988	20	30		DFEDHN
CCN1CC[C@H](NCC#CCOC)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000670093458	544022199	/nfs/dbraw/zinc/02/21/99/544022199.db2.gz	HSEQNHGEDCDRTO-IRXDYDNUSA-N	0	3	324.827	2.854	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000670172833	544026812	/nfs/dbraw/zinc/02/68/12/544026812.db2.gz	HMJHVYJJHQTIRD-HNNXBMFYSA-N	0	3	310.825	2.652	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]([C@@H]3CNC(=O)C3)C2)cc1	ZINC000671442877	544072110	/nfs/dbraw/zinc/07/21/10/544072110.db2.gz	JPZMOOSQVGYFKF-IRXDYDNUSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000290420665	335073482	/nfs/dbraw/zinc/07/34/82/335073482.db2.gz	JPDQBBMLOLUXSW-XJKSGUPXSA-N	0	3	308.397	2.526	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000290689771	335074431	/nfs/dbraw/zinc/07/44/31/335074431.db2.gz	INBIKODGRPODIN-HKUYNNGSSA-N	0	3	318.461	2.586	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(F)c(F)c1	ZINC000184669972	335082869	/nfs/dbraw/zinc/08/28/69/335082869.db2.gz	ASZIIWYAUNYNHU-XJKSGUPXSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CN(CC)C[C@@H]2C)c1	ZINC000674848667	544269647	/nfs/dbraw/zinc/26/96/47/544269647.db2.gz	GDGJIOIBBPYDCO-BBRMVZONSA-N	0	3	303.406	2.713	20	30		DFEDHN
C=CCC[C@H](O)CN[C@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000675496583	544316375	/nfs/dbraw/zinc/31/63/75/544316375.db2.gz	FLDNCUXBSHYXTB-LSDHHAIUSA-N	0	3	317.351	2.830	20	30		DFEDHN
Cc1nn(C)c(C)c1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000299343761	229062913	/nfs/dbraw/zinc/06/29/13/229062913.db2.gz	ICXYTVXTVDVYTC-UHFFFAOYSA-N	0	3	323.444	2.667	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@H](CCC)C1	ZINC000678903657	544747050	/nfs/dbraw/zinc/74/70/50/544747050.db2.gz	BIWORCDTTLBNJQ-RTBURBONSA-N	0	3	302.462	2.910	20	30		DFEDHN
C=CCOCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000679606422	544883642	/nfs/dbraw/zinc/88/36/42/544883642.db2.gz	YDHOIONEHPIWQN-OAHLLOKOSA-N	0	3	319.449	2.618	20	30		DFEDHN
COCCN1CCC(CNc2cc(C(C)=O)ccc2C#N)CC1	ZINC000302024006	230042383	/nfs/dbraw/zinc/04/23/83/230042383.db2.gz	JQXIWFRXRIZZPD-UHFFFAOYSA-N	0	3	315.417	2.531	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302215969	230173847	/nfs/dbraw/zinc/17/38/47/230173847.db2.gz	OXFDYBYYNKZCRA-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1	ZINC000302692701	230355769	/nfs/dbraw/zinc/35/57/69/230355769.db2.gz	CXKHCVXYGAETLS-GFCCVEGCSA-N	0	3	317.374	2.638	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)NCCN1CCCCC1	ZINC000056578672	425895806	/nfs/dbraw/zinc/89/58/06/425895806.db2.gz	QWYPFHBGQGKLJW-UHFFFAOYSA-N	0	3	316.405	2.564	20	30		DFEDHN
CSC[C@@](C)(O)CNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352836553	269806555	/nfs/dbraw/zinc/80/65/55/269806555.db2.gz	MQZUIHTZJNBOBT-ZDUSSCGKSA-N	0	3	318.364	2.781	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1ccccc1-n1ccnn1	ZINC000353447998	269879851	/nfs/dbraw/zinc/87/98/51/269879851.db2.gz	NFIWRINKARYLHA-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccccc1C#N	ZINC000528382900	269898724	/nfs/dbraw/zinc/89/87/24/269898724.db2.gz	UKCVMERMIOQQGQ-YJBOKZPZSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#Cc1ccc(OCCN[C@@]2(CO)CCCc3ccccc32)cc1	ZINC000440480279	269966408	/nfs/dbraw/zinc/96/64/08/269966408.db2.gz	JMIIVBOTYZWYFL-HXUWFJFHSA-N	0	3	322.408	2.751	20	30		DFEDHN
N#Cc1cnc(N2CCN(CC3CCCCC3)CC2)c(F)c1	ZINC000413104968	269978502	/nfs/dbraw/zinc/97/85/02/269978502.db2.gz	YOTJGALYHPBDRB-UHFFFAOYSA-N	0	3	302.397	2.795	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)c1	ZINC000421001425	270000514	/nfs/dbraw/zinc/00/05/14/270000514.db2.gz	BHYUKLRQRWCIQD-IBGZPJMESA-N	0	3	310.372	2.877	20	30		DFEDHN
CC[C@H](C)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000450858744	270001389	/nfs/dbraw/zinc/00/13/89/270001389.db2.gz	LXPVCDZINJCTNN-NSHDSACASA-N	0	3	312.339	2.893	20	30		DFEDHN
CN(C(=O)CN1CCC[C@H]1C1CCC1)C1(C#N)CCCCC1	ZINC000102926866	425931404	/nfs/dbraw/zinc/93/14/04/425931404.db2.gz	JLBQGTGWSWDRQB-INIZCTEOSA-N	0	3	303.450	2.936	20	30		DFEDHN
CN(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1	ZINC000156326982	425933556	/nfs/dbraw/zinc/93/35/56/425933556.db2.gz	QACOGIXCPNGXFZ-CYBMUJFWSA-N	0	3	319.368	2.524	20	30		DFEDHN
CCC(C)(C)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000156940746	425937323	/nfs/dbraw/zinc/93/73/23/425937323.db2.gz	GRMXRKUTKWCSLW-OAHLLOKOSA-N	0	3	304.438	2.543	20	30		DFEDHN
CCC(CC)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC	ZINC000292224719	266000074	/nfs/dbraw/zinc/00/00/74/266000074.db2.gz	AVBDSSFINGXQLM-MRXNPFEDSA-N	0	3	313.401	2.562	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cnccc1C#N)c1ccccc1	ZINC000340905900	266120338	/nfs/dbraw/zinc/12/03/38/266120338.db2.gz	WEGUXLHZRZAFTA-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000341191806	266334687	/nfs/dbraw/zinc/33/46/87/266334687.db2.gz	GANPOIFDMQJXLB-TZMCWYRMSA-N	0	3	316.405	2.561	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1	ZINC000349327041	266506209	/nfs/dbraw/zinc/50/62/09/266506209.db2.gz	NTHBRAKYMRKHLD-UHFFFAOYSA-N	0	3	311.360	2.940	20	30		DFEDHN
CN(Cc1cccs1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348003866	266575097	/nfs/dbraw/zinc/57/50/97/266575097.db2.gz	FFPGJTHAIBDQTB-HNNXBMFYSA-N	0	3	309.394	2.961	20	30		DFEDHN
CC(C)N1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443508067	266918896	/nfs/dbraw/zinc/91/88/96/266918896.db2.gz	HVOLDXRXRAJULJ-UHFFFAOYSA-N	0	3	312.339	2.893	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000349909608	267014415	/nfs/dbraw/zinc/01/44/15/267014415.db2.gz	DRNQXQNHZFLWOY-GFCCVEGCSA-N	0	3	305.809	2.673	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCc1ccc(C#N)cc1	ZINC000341100290	267015635	/nfs/dbraw/zinc/01/56/35/267015635.db2.gz	ZHBFVYYWBLHCHS-HUUCEWRRSA-N	0	3	314.433	2.620	20	30		DFEDHN
CCCN1C[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)CC1=O	ZINC000421872733	267020466	/nfs/dbraw/zinc/02/04/66/267020466.db2.gz	GWNQKFCDMUYYRF-TZMCWYRMSA-N	0	3	303.381	2.606	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000281359602	267020891	/nfs/dbraw/zinc/02/08/91/267020891.db2.gz	YHOHZDDHEPFHEA-CZUORRHYSA-N	0	3	313.426	2.595	20	30		DFEDHN
C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1	ZINC000345454906	267029307	/nfs/dbraw/zinc/02/93/07/267029307.db2.gz	PNEXQRRGGBQDJH-QAPCUYQASA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2cscc2C#N)CCN(C2CCC2)C1	ZINC000344740909	267044218	/nfs/dbraw/zinc/04/42/18/267044218.db2.gz	MMZLQUUFVABVPL-LBPRGKRZSA-N	0	3	303.431	2.566	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)CN1C	ZINC000351945728	267053739	/nfs/dbraw/zinc/05/37/39/267053739.db2.gz	UAGRPGWQVVBQKB-NEPJUHHUSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@H](CC[S@](C)=O)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352844340	267153359	/nfs/dbraw/zinc/15/33/59/267153359.db2.gz	XLPDALZZEFHDJK-UZJPJQLHSA-N	0	3	318.364	2.824	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000188578970	267155840	/nfs/dbraw/zinc/15/58/40/267155840.db2.gz	GYVMBFVPTXXWQI-CHWSQXEVSA-N	0	3	303.381	2.548	20	30		DFEDHN
CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C#N)c(C)c1)CC2	ZINC000488413793	267157435	/nfs/dbraw/zinc/15/74/35/267157435.db2.gz	ZWZXXUAZANMPOE-MSOLQXFVSA-N	0	3	314.429	2.619	20	30		DFEDHN
C[C@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCCC[C@H]1C	ZINC000349871233	267159827	/nfs/dbraw/zinc/15/98/27/267159827.db2.gz	DRFJDQZATVRXDO-ZIAGYGMSSA-N	0	3	317.408	2.619	20	30		DFEDHN
C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1[O-]	ZINC000370336126	267179609	/nfs/dbraw/zinc/17/96/09/267179609.db2.gz	XPHISEUTUTXJFL-AWEZNQCLSA-N	0	3	322.412	2.978	20	30		DFEDHN
CCS[C@H]1CC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1	ZINC000515384200	267181792	/nfs/dbraw/zinc/18/17/92/267181792.db2.gz	DGNDIJJUFIWZKP-CABCVRRESA-N	0	3	315.446	2.707	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1	ZINC000348137006	267182583	/nfs/dbraw/zinc/18/25/83/267182583.db2.gz	PNEMQMLMRMPBNZ-WCQYABFASA-N	0	3	321.808	2.555	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccco1	ZINC000451677258	267186581	/nfs/dbraw/zinc/18/65/81/267186581.db2.gz	UJTBWAKHTKPVEE-YPMHNXCESA-N	0	3	301.346	2.603	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12	ZINC000348542280	267192844	/nfs/dbraw/zinc/19/28/44/267192844.db2.gz	BRGIOOHAOQLXTQ-GOEBONIOSA-N	0	3	312.417	2.721	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc(F)c2C#N)C1	ZINC000188572144	267213023	/nfs/dbraw/zinc/21/30/23/267213023.db2.gz	XLRGLOXPFXWGKX-ZDUSSCGKSA-N	0	3	317.408	2.938	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCc1ccc(C#N)cc1	ZINC000341100288	267214590	/nfs/dbraw/zinc/21/45/90/267214590.db2.gz	ZHBFVYYWBLHCHS-GJZGRUSLSA-N	0	3	314.433	2.620	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)s1	ZINC000420914100	267226296	/nfs/dbraw/zinc/22/62/96/267226296.db2.gz	JZWHYSUCJSXLFE-ZDUSSCGKSA-N	0	3	320.462	2.683	20	30		DFEDHN
CCn1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)n1	ZINC000414210574	267253709	/nfs/dbraw/zinc/25/37/09/267253709.db2.gz	OTYPJLJTSWCOAZ-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
CN(C)c1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000419841998	267295443	/nfs/dbraw/zinc/29/54/43/267295443.db2.gz	KZFABEBTCGKMSK-KRWDZBQOSA-N	0	3	309.417	2.525	20	30		DFEDHN
CN1CCC[C@@]2(CCN(c3cc(C(F)(F)F)cnc3C#N)C2)C1	ZINC000413289925	267335800	/nfs/dbraw/zinc/33/58/00/267335800.db2.gz	AZHRZLKIPITMFU-OAHLLOKOSA-N	0	3	324.350	2.894	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1	ZINC000412362586	267336870	/nfs/dbraw/zinc/33/68/70/267336870.db2.gz	MQHIKLUYWGONMP-NLWGTHIKSA-N	0	3	323.440	2.606	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc(C#N)cc(N(C)C)c2)nc(C)n1	ZINC000344732059	267364091	/nfs/dbraw/zinc/36/40/91/267364091.db2.gz	QXFPBINMARILFF-INIZCTEOSA-N	0	3	319.368	2.521	20	30		DFEDHN
Cc1ccc(-c2cccc(CNCCn3cnc(C#N)n3)c2)cc1	ZINC000353040710	267369702	/nfs/dbraw/zinc/36/97/02/267369702.db2.gz	VTRVNUKTXMHMEA-UHFFFAOYSA-N	0	3	317.396	2.915	20	30		DFEDHN
COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccccc2C#N)C1	ZINC000428774793	267394569	/nfs/dbraw/zinc/39/45/69/267394569.db2.gz	AAGBTONHJRBCHZ-HXUWFJFHSA-N	0	3	320.392	2.875	20	30		DFEDHN
Cc1ccc(NCc2nc(C#N)cs2)c(OCCN(C)C)c1	ZINC000352835264	267432536	/nfs/dbraw/zinc/43/25/36/267432536.db2.gz	KSZPTFIRDRTUGO-UHFFFAOYSA-N	0	3	316.430	2.876	20	30		DFEDHN
Cc1cscc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348511999	267556759	/nfs/dbraw/zinc/55/67/59/267556759.db2.gz	SURNRDOCISJSKI-HNNXBMFYSA-N	0	3	309.394	2.927	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000514982684	267779531	/nfs/dbraw/zinc/77/95/31/267779531.db2.gz	NOGLJCBKRPMCBH-OLQIXAPSSA-N	0	3	323.440	2.925	20	30		DFEDHN
N#Cc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1	ZINC000028700344	425822255	/nfs/dbraw/zinc/82/22/55/425822255.db2.gz	AJWQJTAROYXGKO-UHFFFAOYSA-N	0	3	319.408	2.953	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccs1	ZINC000037890352	425849476	/nfs/dbraw/zinc/84/94/76/425849476.db2.gz	MLCJTRWTZAKIHC-OCCSQVGLSA-N	0	3	302.399	2.710	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000037856731	425849479	/nfs/dbraw/zinc/84/94/79/425849479.db2.gz	UVIKSTOJOUFNLX-TZMCWYRMSA-N	0	3	302.399	2.710	20	30		DFEDHN
Cc1cccc([C@@H](C)NCC(=O)NCc2cccc(C#N)c2)c1	ZINC000452086117	268056489	/nfs/dbraw/zinc/05/64/89/268056489.db2.gz	MODQLBWFIVMLLM-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
N#Cc1ccc(CN2CCC(NCc3ccc(F)cn3)CC2)cc1	ZINC000344121707	268065969	/nfs/dbraw/zinc/06/59/69/268065969.db2.gz	IEWPEPXJDJCCED-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
N#Cc1ccc(CNCCN2CC=CCC2)c(C(F)(F)F)c1	ZINC000352944203	268072573	/nfs/dbraw/zinc/07/25/73/268072573.db2.gz	OQNMQICRINIKJD-UHFFFAOYSA-N	0	3	309.335	2.929	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3c(Cl)cccc3C2)o1	ZINC000191106015	268074304	/nfs/dbraw/zinc/07/43/04/268074304.db2.gz	ZJJJEFGNFBLPII-UHFFFAOYSA-N	0	3	315.804	2.953	20	30		DFEDHN
N#Cc1ccc(CNC[C@H](CO)Cc2c(F)cccc2Cl)o1	ZINC000344628239	268074403	/nfs/dbraw/zinc/07/44/03/268074403.db2.gz	MGIMSUYTMPGUSK-LLVKDONJSA-N	0	3	322.767	2.885	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCCC3)C2)cc1	ZINC000366822117	268088482	/nfs/dbraw/zinc/08/84/82/268088482.db2.gz	FWHBDXWROSOLIU-QGZVFWFLSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccccc3C2)cc1	ZINC000348208928	268089724	/nfs/dbraw/zinc/08/97/24/268089724.db2.gz	HXJHMKVLUPJLGD-GOSISDBHSA-N	0	3	301.349	2.783	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194321265	268098739	/nfs/dbraw/zinc/09/87/39/268098739.db2.gz	NOYISMPTPLHKTA-CYBMUJFWSA-N	0	3	306.797	2.817	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000194709655	268112185	/nfs/dbraw/zinc/11/21/85/268112185.db2.gz	CAHPXLINYRJGNX-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)cc1	ZINC000530028856	268209293	/nfs/dbraw/zinc/20/92/93/268209293.db2.gz	RSXXGVGLYKKJIZ-GOSISDBHSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#Cc1cccc(CCN[C@H](c2c[nH]nn2)c2ccc(F)cc2)c1	ZINC000340536185	268244931	/nfs/dbraw/zinc/24/49/31/268244931.db2.gz	XXIJTSRSQNSHIC-SFHVURJKSA-N	0	3	321.359	2.737	20	30		DFEDHN
CC[C@@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1c(F)cccc1F	ZINC000276592515	268262535	/nfs/dbraw/zinc/26/25/35/268262535.db2.gz	DVWMZHOLOHNDPJ-WBVHZDCISA-N	0	3	319.355	2.777	20	30		DFEDHN
N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1	ZINC000516330439	268280103	/nfs/dbraw/zinc/28/01/03/268280103.db2.gz	QNLBTFYYVLHTTC-QGZVFWFLSA-N	0	3	320.396	2.804	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(OCC2CC2)CC1	ZINC000374131550	268282134	/nfs/dbraw/zinc/28/21/34/268282134.db2.gz	OKSZEVPYSYMFDD-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCN(C3CC3)C[C@@H](C)C2)c1C#N	ZINC000294841888	268290268	/nfs/dbraw/zinc/29/02/68/268290268.db2.gz	BFTBHQWDKBKZGB-LLVKDONJSA-N	0	3	304.825	2.836	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CCCN(C2CCCC2)CC1	ZINC000425239711	268291931	/nfs/dbraw/zinc/29/19/31/268291931.db2.gz	XGMOYZCAAFXPEP-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1	ZINC000349967335	268294005	/nfs/dbraw/zinc/29/40/05/268294005.db2.gz	SSLWCZMARPQJHD-RBUKOAKNSA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C2CCCC2)C1	ZINC000425235111	268294121	/nfs/dbraw/zinc/29/41/21/268294121.db2.gz	YUCGPCBTBZNTGS-ZDUSSCGKSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2occc21	ZINC000530230220	268298587	/nfs/dbraw/zinc/29/85/87/268298587.db2.gz	FTFMXGABBWRDRP-GOEBONIOSA-N	0	3	312.369	2.558	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2cccc(C#N)n2)C1	ZINC000323787132	268350239	/nfs/dbraw/zinc/35/02/39/268350239.db2.gz	HNTWWYVHKRNRLA-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
N#Cc1ccc(OC2CCN(C[C@H]3CCCCO3)CC2)cc1	ZINC000069588042	425947669	/nfs/dbraw/zinc/94/76/69/425947669.db2.gz	NYZXQQZPXNNUEE-GOSISDBHSA-N	0	3	300.402	2.971	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000106036559	425970353	/nfs/dbraw/zinc/97/03/53/425970353.db2.gz	GRMXCPHFIVASIW-VOTSOKGWSA-N	0	3	309.413	2.728	20	30		DFEDHN
C=C(C)CN1CCC([NH2+]Cc2cccc(OCC)c2[O-])CC1	ZINC000106245397	425971456	/nfs/dbraw/zinc/97/14/56/425971456.db2.gz	IKPYSOPTZGRUDE-UHFFFAOYSA-N	0	3	304.434	2.921	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)nc(Cl)c2)CC1	ZINC000126571722	426026628	/nfs/dbraw/zinc/02/66/28/426026628.db2.gz	KKVCCHHGCYYVOJ-UHFFFAOYSA-N	0	3	307.825	2.814	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000110355127	426033662	/nfs/dbraw/zinc/03/36/62/426033662.db2.gz	CULGHONMDHGACV-HZPDHXFCSA-N	0	3	304.434	2.604	20	30		DFEDHN
CC(C)[C@@H](CCO)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000161853523	426042725	/nfs/dbraw/zinc/04/27/25/426042725.db2.gz	BSMIYBMVNFBPMW-OAHLLOKOSA-N	0	3	315.335	2.933	20	30		DFEDHN
C=C(C)CN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000126949861	426044132	/nfs/dbraw/zinc/04/41/32/426044132.db2.gz	FZYDFAKBDISQGB-AWEZNQCLSA-N	0	3	310.463	2.944	20	30		DFEDHN
CCS[C@H]1CCCCN(CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000112089574	426064890	/nfs/dbraw/zinc/06/48/90/426064890.db2.gz	IMOPDSPDWJQZRI-CABCVRRESA-N	0	3	311.495	2.602	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@]1(C)CCCO1)C(C)C	ZINC000126347681	426015511	/nfs/dbraw/zinc/01/55/11/426015511.db2.gz	BXVMKCPPGZYLFW-WMZOPIPTSA-N	0	3	323.481	2.553	20	30		DFEDHN
CSCC[C@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000126444509	426019201	/nfs/dbraw/zinc/01/92/01/426019201.db2.gz	XQTZNXRGGITDTB-AWEZNQCLSA-N	0	3	311.495	2.745	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCN(C)C1	ZINC000108587989	426019283	/nfs/dbraw/zinc/01/92/83/426019283.db2.gz	JBKXIIORDBDEDP-GOSISDBHSA-N	0	3	315.461	2.769	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1	ZINC000072862920	426020549	/nfs/dbraw/zinc/02/05/49/426020549.db2.gz	KSOAGPGRZZOWMK-OAHLLOKOSA-N	0	3	303.431	2.714	20	30		DFEDHN
COCC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000337866562	268564122	/nfs/dbraw/zinc/56/41/22/268564122.db2.gz	QMURQTMEXGTCCE-XJKSGUPXSA-N	0	3	317.433	2.926	20	30		DFEDHN
C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000163093586	426089257	/nfs/dbraw/zinc/08/92/57/426089257.db2.gz	BXSGPKOTRYSMKP-ZDUSSCGKSA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1	ZINC000163151385	426091214	/nfs/dbraw/zinc/09/12/14/426091214.db2.gz	KBTCOYIIGKDMSD-CQSZACIVSA-N	0	3	320.458	2.890	20	30		DFEDHN
CO[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000076345599	426108864	/nfs/dbraw/zinc/10/88/64/426108864.db2.gz	WEXGSCKEVZTVRP-AWEZNQCLSA-N	0	3	321.808	2.651	20	30		DFEDHN
C=CCCCN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC	ZINC000076733962	426116207	/nfs/dbraw/zinc/11/62/07/426116207.db2.gz	XVWPFNSVISLYEV-CQSZACIVSA-N	0	3	320.433	2.779	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3cnc(C#N)cn3)c2)CC1	ZINC000128803159	426133639	/nfs/dbraw/zinc/13/36/39/426133639.db2.gz	BVPHONOYPYJRBY-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CCN2CCC[C@@H]2C1	ZINC000168570510	426135545	/nfs/dbraw/zinc/13/55/45/426135545.db2.gz	UGJOTGGQRNZCPM-LLVKDONJSA-N	0	3	306.207	2.605	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000077498043	426137162	/nfs/dbraw/zinc/13/71/62/426137162.db2.gz	OYIXUUMUINVIQJ-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCOC1	ZINC000162757268	426075846	/nfs/dbraw/zinc/07/58/46/426075846.db2.gz	VLVQRRJWCDFRGI-JSGCOSHPSA-N	0	3	313.319	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)no2)CC1	ZINC000171718350	426206676	/nfs/dbraw/zinc/20/66/76/426206676.db2.gz	IGWDPRJNWNXLKE-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000116947108	426201844	/nfs/dbraw/zinc/20/18/44/426201844.db2.gz	DKNWDIFHXRVWJQ-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000135009352	426203151	/nfs/dbraw/zinc/20/31/51/426203151.db2.gz	XXGSOZKLPMFDFR-JTDSTZFVSA-N	0	3	322.493	2.937	20	30		DFEDHN
COc1ccc(CN2CCC[C@](C)(O)C2)cc1OCCCC#N	ZINC000129560001	426140000	/nfs/dbraw/zinc/14/00/00/426140000.db2.gz	PATNARPTMITYHD-SFHVURJKSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@](C)(O)C2)ccc1OC	ZINC000129585129	426140505	/nfs/dbraw/zinc/14/05/05/426140505.db2.gz	VNRJVOVLHCIOIK-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(C3OCCO3)CC2)cc1	ZINC000130095004	426146658	/nfs/dbraw/zinc/14/66/58/426146658.db2.gz	BPXAGQFMTCIUOI-UHFFFAOYSA-N	0	3	315.413	2.674	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccnn1C(C)C)C(C)C	ZINC000130316840	426154271	/nfs/dbraw/zinc/15/42/71/426154271.db2.gz	OSMZIFLOUARASZ-KRWDZBQOSA-N	0	3	318.465	2.892	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2oc3ccccc3c2C)CC1	ZINC000115099618	426154799	/nfs/dbraw/zinc/15/47/99/426154799.db2.gz	LJSOKDNTTAAQNL-UHFFFAOYSA-N	0	3	310.397	2.703	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000115254489	426158537	/nfs/dbraw/zinc/15/85/37/426158537.db2.gz	XSUSHPIRMHNASV-AQFXKWCLSA-N	0	3	308.466	2.691	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)Cc1cccc(Cl)c1	ZINC000131136316	426163774	/nfs/dbraw/zinc/16/37/74/426163774.db2.gz	QZBDVLYZGOQREU-UHFFFAOYSA-N	0	3	307.825	2.924	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCCC)CC1	ZINC000131276899	426164747	/nfs/dbraw/zinc/16/47/47/426164747.db2.gz	BJUMVQRPPFOIDC-UHFFFAOYSA-N	0	3	318.392	2.898	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1c1nc(C(F)(F)F)ccc1C#N	ZINC000115518178	426166450	/nfs/dbraw/zinc/16/64/50/426166450.db2.gz	RPPBFJVMZJHRFS-CMPLNLGQSA-N	0	3	310.323	2.645	20	30		DFEDHN
CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000115596644	426168905	/nfs/dbraw/zinc/16/89/05/426168905.db2.gz	QOOCLLXBOUAYLL-KRWDZBQOSA-N	0	3	307.397	2.652	20	30		DFEDHN
C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccc(C#N)cc1	ZINC000115802866	426174049	/nfs/dbraw/zinc/17/40/49/426174049.db2.gz	NRQCQHZGZDOPIO-HOCLYGCPSA-N	0	3	314.433	2.602	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)CN1Cc1ccccc1	ZINC000134917740	426199500	/nfs/dbraw/zinc/19/95/00/426199500.db2.gz	WNRCZPIKJHJVNY-DNVCBOLYSA-N	0	3	319.408	2.951	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCS[C@@H]3COCC[C@@H]32)c1	ZINC000135556997	426222426	/nfs/dbraw/zinc/22/24/26/426222426.db2.gz	CSZXISAHDXTKRO-DLBZAZTESA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000081734187	426225692	/nfs/dbraw/zinc/22/56/92/426225692.db2.gz	PJGPGBMIPBUJLD-CQSZACIVSA-N	0	3	324.428	2.756	20	30		DFEDHN
CCOC(=O)N[C@@H](CNCc1cc(C#N)cs1)CC(C)C	ZINC000083448732	426229228	/nfs/dbraw/zinc/22/92/28/426229228.db2.gz	VWCJIRGPLNYXFO-CYBMUJFWSA-N	0	3	309.435	2.870	20	30		DFEDHN
C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NC(=O)c1cc(C#N)cs1	ZINC000084182782	426234116	/nfs/dbraw/zinc/23/41/16/426234116.db2.gz	SZBLFSBBJFYWBD-RWMBFGLXSA-N	0	3	305.447	2.716	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1CCOC	ZINC000118398134	426235914	/nfs/dbraw/zinc/23/59/14/426235914.db2.gz	NZHSQLYUUXYBRO-MAUKXSAKSA-N	0	3	301.434	2.662	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Sc2ccccn2)CC1	ZINC000084974677	426248307	/nfs/dbraw/zinc/24/83/07/426248307.db2.gz	PDLPDDYKQYTFBL-CQSZACIVSA-N	0	3	319.474	2.719	20	30		DFEDHN
C[C@H](CNCc1ccc(C#N)o1)CN(C)C(=O)OC(C)(C)C	ZINC000174382075	426254822	/nfs/dbraw/zinc/25/48/22/426254822.db2.gz	KYRYRTOZVYBJDQ-GFCCVEGCSA-N	0	3	307.394	2.744	20	30		DFEDHN
N#Cc1cccc(OC2CCN(CCOCC3CC3)CC2)c1	ZINC000119051750	426258154	/nfs/dbraw/zinc/25/81/54/426258154.db2.gz	WFWULTIGAXQPMI-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1ccc([C@@H](NCC2C3CC4CC(C3)CC2C4)C(N)=O)cc1	ZINC000119103994	426262410	/nfs/dbraw/zinc/26/24/10/426262410.db2.gz	NHZNWMWVDOBTQI-NFBBTKTMSA-N	0	3	323.440	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2cccc(F)c2)CC1	ZINC000171739456	426208148	/nfs/dbraw/zinc/20/81/48/426208148.db2.gz	NTGCMPYNLQAPCK-UHFFFAOYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2SCC)CC1	ZINC000175247368	426291575	/nfs/dbraw/zinc/29/15/75/426291575.db2.gz	OSDURLUWCQYGKL-HZPDHXFCSA-N	0	3	308.491	2.512	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000120718979	426314656	/nfs/dbraw/zinc/31/46/56/426314656.db2.gz	OBEBBBASSXYWMP-AEFFLSMTSA-N	0	3	318.461	2.528	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C12CCC2	ZINC000120993202	426319182	/nfs/dbraw/zinc/31/91/82/426319182.db2.gz	JWOKSUJLYVXFAO-OKZBNKHCSA-N	0	3	314.429	2.871	20	30		DFEDHN
C[C@H](c1ccccc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942696	426320717	/nfs/dbraw/zinc/32/07/17/426320717.db2.gz	SGZITUBEPUVQLS-LLVKDONJSA-N	0	3	301.369	2.628	20	30		DFEDHN
C[C@@H](c1ccc(F)cc1F)N(C)CCCc1[nH]nc(N)c1C#N	ZINC000089942546	426320990	/nfs/dbraw/zinc/32/09/90/426320990.db2.gz	CBVJTFKRZMNSOJ-JTQLQIEISA-N	0	3	319.359	2.767	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)Cc1ccc(OC)c(F)c1	ZINC000121129064	426322394	/nfs/dbraw/zinc/32/23/94/426322394.db2.gz	RFTTYUOVYBXIOU-UHFFFAOYSA-N	0	3	308.397	2.691	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000090884004	426333075	/nfs/dbraw/zinc/33/30/75/426333075.db2.gz	RLMCNDYHZRBZHX-OAHLLOKOSA-N	0	3	322.424	2.906	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000090884033	426333240	/nfs/dbraw/zinc/33/32/40/426333240.db2.gz	VUJLEVGAGZVSGB-AWEZNQCLSA-N	0	3	304.390	2.887	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000090883803	426333435	/nfs/dbraw/zinc/33/34/35/426333435.db2.gz	JLAKBQAECJOOOJ-CYBMUJFWSA-N	0	3	306.406	2.897	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(Cc3cccc(O)c3)CC2)cc1	ZINC000122832010	426397418	/nfs/dbraw/zinc/39/74/18/426397418.db2.gz	HXLZSTALMSUURJ-UHFFFAOYSA-N	0	3	321.424	2.972	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000153664263	426397485	/nfs/dbraw/zinc/39/74/85/426397485.db2.gz	GYBDEYWSQRJNDZ-KRWDZBQOSA-N	0	3	319.449	2.906	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(NC(=O)c2ccccc2C)CC1	ZINC000122883754	426401197	/nfs/dbraw/zinc/40/11/97/426401197.db2.gz	UWRUMKLTDKSSCW-KRWDZBQOSA-N	0	3	316.445	2.516	20	30		DFEDHN
CCN(CC)[C@@H](CNc1cnc(C#N)cn1)c1ccsc1	ZINC000121488366	426347076	/nfs/dbraw/zinc/34/70/76/426347076.db2.gz	YBKRDPFNBQKXKS-AWEZNQCLSA-N	0	3	301.419	2.905	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCN1CCC(=O)N(C)CCC#N	ZINC000092795908	426352615	/nfs/dbraw/zinc/35/26/15/426352615.db2.gz	ATHDRQDLDVSLPA-INIZCTEOSA-N	0	3	315.417	2.594	20	30		DFEDHN
C[C@H]1CCC[C@@H](CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000092800812	426353479	/nfs/dbraw/zinc/35/34/79/426353479.db2.gz	JDXYRZSAGOSFPA-HRCADAONSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)cs1)c1ccc(NC(N)=O)cc1	ZINC000093492651	426355578	/nfs/dbraw/zinc/35/55/78/426355578.db2.gz	NOLZXEALGDYYIB-SNVBAGLBSA-N	0	3	300.387	2.961	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@]3(CCOC3)C2)cc(OC)c1O	ZINC000093820214	426358404	/nfs/dbraw/zinc/35/84/04/426358404.db2.gz	KAQAHXVDVKJQDM-GOSISDBHSA-N	0	3	303.402	2.742	20	30		DFEDHN
C#CCSCCNCc1c[nH]nc1-c1ccc(OC)cc1	ZINC000152915001	426360786	/nfs/dbraw/zinc/36/07/86/426360786.db2.gz	KAHKWRNITOYBAC-UHFFFAOYSA-N	0	3	301.415	2.541	20	30		DFEDHN
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000176323085	426369981	/nfs/dbraw/zinc/36/99/81/426369981.db2.gz	OCAPVTKPXIDEGW-QGZVFWFLSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCSCC)CC1	ZINC000176500438	426388635	/nfs/dbraw/zinc/38/86/35/426388635.db2.gz	MIVCVJDLZKJKFM-AWEZNQCLSA-N	0	3	313.511	2.858	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000123040762	426410360	/nfs/dbraw/zinc/41/03/60/426410360.db2.gz	RUCHCUYBVWFXKR-CABCVRRESA-N	0	3	302.418	2.806	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)CSc2ccc(C#N)cc2)CCN1C	ZINC000123209946	426420070	/nfs/dbraw/zinc/42/00/70/426420070.db2.gz	UKJGZGADQLZLDT-ZFWWWQNUSA-N	0	3	317.458	2.591	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)CSc2ccc(C#N)cc2)CCN1C	ZINC000123209335	426420260	/nfs/dbraw/zinc/42/02/60/426420260.db2.gz	UKJGZGADQLZLDT-UKRRQHHQSA-N	0	3	317.458	2.591	20	30		DFEDHN
Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)cc1F	ZINC000176946157	426427965	/nfs/dbraw/zinc/42/79/65/426427965.db2.gz	FOGCTTCPNHJYNY-UHFFFAOYSA-N	0	3	317.389	2.587	20	30		DFEDHN
COc1cccc2c1OC[C@@H](NCc1ccc(C#N)s1)C2	ZINC000176962170	426428591	/nfs/dbraw/zinc/42/85/91/426428591.db2.gz	QCSLRNJVQMNOCD-LBPRGKRZSA-N	0	3	300.383	2.722	20	30		DFEDHN
COc1cc(N[C@H]2CCCN(CCCC#N)C2)cc(OC)c1	ZINC000155184570	426465715	/nfs/dbraw/zinc/46/57/15/426465715.db2.gz	UTSWSRHCZJMLFU-AWEZNQCLSA-N	0	3	303.406	2.884	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1	ZINC000098093219	426478315	/nfs/dbraw/zinc/47/83/15/426478315.db2.gz	NFLJUPKYDLYTRT-UHFFFAOYSA-N	0	3	312.457	2.946	20	30		DFEDHN
C=C(C)CN1CCCN(C(=O)CCc2ccc(OC)cc2)CC1	ZINC000101554196	426484586	/nfs/dbraw/zinc/48/45/86/426484586.db2.gz	BKXIMJZWLBFNHE-UHFFFAOYSA-N	0	3	316.445	2.738	20	30		DFEDHN
CCN(CCNC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000102068472	426487811	/nfs/dbraw/zinc/48/78/11/426487811.db2.gz	MXCMFJOIXGHFOV-UHFFFAOYSA-N	0	3	306.797	2.817	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000177687814	426506162	/nfs/dbraw/zinc/50/61/62/426506162.db2.gz	ZWFBKXHOIXXHQG-UHFFFAOYSA-N	0	3	323.396	2.984	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCOCC2	ZINC000186324626	426507238	/nfs/dbraw/zinc/50/72/38/426507238.db2.gz	DGUNWZFUMJVGPU-SJORKVTESA-N	0	3	318.392	2.761	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1	ZINC000264157740	426507415	/nfs/dbraw/zinc/50/74/15/426507415.db2.gz	SWAWPNWUEAUVGR-UHFFFAOYSA-N	0	3	312.457	2.734	20	30		DFEDHN
N#Cc1csc(CNCCNC(=O)CC2CCCCC2)c1	ZINC000177700288	426508792	/nfs/dbraw/zinc/50/87/92/426508792.db2.gz	PGRAMRCUFPRBJH-UHFFFAOYSA-N	0	3	305.447	2.796	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)c(C#N)c1	ZINC000177833079	426529138	/nfs/dbraw/zinc/52/91/38/426529138.db2.gz	REEONIOCOCBWJH-CABCVRRESA-N	0	3	316.380	2.788	20	30		DFEDHN
CC[C@H](CSC)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280256982	426531085	/nfs/dbraw/zinc/53/10/85/426531085.db2.gz	XKOULEDDIVOXDA-HZPDHXFCSA-N	0	3	315.442	2.841	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(C)s2)CC1	ZINC000264368915	426544123	/nfs/dbraw/zinc/54/41/23/426544123.db2.gz	QGWRBZODWAEDRL-UHFFFAOYSA-N	0	3	307.463	2.848	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCC[C@@H]1O	ZINC000272514525	426545130	/nfs/dbraw/zinc/54/51/30/426545130.db2.gz	XKIDRLIDPRCJIA-WMZOPIPTSA-N	0	3	324.428	2.552	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1	ZINC000264392830	426546354	/nfs/dbraw/zinc/54/63/54/426546354.db2.gz	OFNIVSWIROSTSF-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2cccc(Cl)c2)CC1	ZINC000264395825	426547139	/nfs/dbraw/zinc/54/71/39/426547139.db2.gz	LDUYCNPSNHEXPM-UHFFFAOYSA-N	0	3	321.852	2.832	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NCCN1CCC[C@@H](C)C1	ZINC000272525029	426549764	/nfs/dbraw/zinc/54/97/64/426549764.db2.gz	ZYYZRABFDJWIKX-MRXNPFEDSA-N	0	3	319.449	2.752	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(Nc2cccnn2)CC1	ZINC000186206565	426494326	/nfs/dbraw/zinc/49/43/26/426494326.db2.gz	HVMPCGLRJYEIHC-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CCn1cnnc1C1CCN(Cc2ccc(C#N)cc2C)CC1	ZINC000186219972	426495217	/nfs/dbraw/zinc/49/52/17/426495217.db2.gz	RZRCSJMYZNPBSH-UHFFFAOYSA-N	0	3	309.417	2.858	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000186311895	426502660	/nfs/dbraw/zinc/50/26/60/426502660.db2.gz	WUDKMQYYVVTTPU-LBPRGKRZSA-N	0	3	321.371	2.831	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000264587318	426575128	/nfs/dbraw/zinc/57/51/28/426575128.db2.gz	XQYMKJWMRQNPAG-KRWDZBQOSA-N	0	3	322.412	2.918	20	30		DFEDHN
CC[C@H](C)[C@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264822264	426578225	/nfs/dbraw/zinc/57/82/25/426578225.db2.gz	DOJBPAHLWFCJJL-GOEBONIOSA-N	0	3	320.433	2.874	20	30		DFEDHN
C#CCN(Cc1ccc(F)cc1)C(=O)CC1CCN(C)CC1	ZINC000273199042	426613417	/nfs/dbraw/zinc/61/34/17/426613417.db2.gz	JPYDREYMKUCPAH-UHFFFAOYSA-N	0	3	302.393	2.519	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000264477234	426558945	/nfs/dbraw/zinc/55/89/45/426558945.db2.gz	KLQGENWOXRNQFA-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1	ZINC000456683418	269584429	/nfs/dbraw/zinc/58/44/29/269584429.db2.gz	BCYSYFHWAKUULH-UHFFFAOYSA-N	0	3	316.449	2.859	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-n3nccc3C)cc2)CC1	ZINC000264477697	426562244	/nfs/dbraw/zinc/56/22/44/426562244.db2.gz	KTDNFOMDBILTQX-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CCC(C)C	ZINC000280388232	426563917	/nfs/dbraw/zinc/56/39/17/426563917.db2.gz	GBRIWUKKUUWSFW-SFHVURJKSA-N	0	3	304.434	2.804	20	30		DFEDHN
C=C(Cl)CNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000265473450	426643692	/nfs/dbraw/zinc/64/36/92/426643692.db2.gz	LPQCDPGQXITSHI-UHFFFAOYSA-N	0	3	307.825	2.703	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)c(OC)cc1OC	ZINC000280740542	426645573	/nfs/dbraw/zinc/64/55/73/426645573.db2.gz	WULQLHLMBMQALF-ACJLOTCBSA-N	0	3	321.417	2.783	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(NC[C@@]2(N(C)C)CCSC2)c1	ZINC000273334039	426647226	/nfs/dbraw/zinc/64/72/26/426647226.db2.gz	RNDNUICLHAFZGL-INIZCTEOSA-N	0	3	303.431	2.610	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1(O)CCCCCC1	ZINC000187337536	426650679	/nfs/dbraw/zinc/65/06/79/426650679.db2.gz	CIYRBMINIQHZHG-MRXNPFEDSA-N	0	3	308.466	2.593	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(C#N)c1C	ZINC000178557322	426655346	/nfs/dbraw/zinc/65/53/46/426655346.db2.gz	YTFIBFCQKSYNRP-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000178580180	426658494	/nfs/dbraw/zinc/65/84/94/426658494.db2.gz	SBIFCEWSRLXBRY-CQSZACIVSA-N	0	3	300.406	2.672	20	30		DFEDHN
COCCN(CCO)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000265632630	426664871	/nfs/dbraw/zinc/66/48/71/426664871.db2.gz	GKBSVSXKBORTNY-UHFFFAOYSA-N	0	3	310.397	2.666	20	30		DFEDHN
CC[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1	ZINC000280888413	426678151	/nfs/dbraw/zinc/67/81/51/426678151.db2.gz	DZQKQIJCVVMCFO-HNNXBMFYSA-N	0	3	306.431	2.566	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1=O	ZINC000281199966	426705644	/nfs/dbraw/zinc/70/56/44/426705644.db2.gz	CKJVSPXDRRYTQF-JYJNAYRXSA-N	0	3	320.820	2.547	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC3(C2)CCCCC3)cc1	ZINC000273711962	426711977	/nfs/dbraw/zinc/71/19/77/426711977.db2.gz	QAQCDFPJJYMYAE-MRXNPFEDSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@@H](C)CCc2cccc(F)c2)C1=O	ZINC000281347168	426714089	/nfs/dbraw/zinc/71/40/89/426714089.db2.gz	TWZMVNBXBODJMM-WMLDXEAASA-N	0	3	304.409	2.866	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc(OC(F)F)cc2)C1=O	ZINC000281394013	426717471	/nfs/dbraw/zinc/71/74/71/426717471.db2.gz	ZSFGYPKGISBEIT-BXUZGUMPSA-N	0	3	310.344	2.726	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000265840344	426699153	/nfs/dbraw/zinc/69/91/53/426699153.db2.gz	GBCZNEXKUQPRNG-NXHRZFHOSA-N	0	3	320.477	2.713	20	30		DFEDHN
C=CCN1CC[C@@H](N(Cc2ccc(F)cc2)CC2CC2)C1=O	ZINC000281136389	426702616	/nfs/dbraw/zinc/70/26/16/426702616.db2.gz	AEVKUVHWYPZSQI-QGZVFWFLSA-N	0	3	302.393	2.825	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3ncccc3C#N)c2)CC1	ZINC000274527630	426786909	/nfs/dbraw/zinc/78/69/09/426786909.db2.gz	YDISNCHOALNOJO-UHFFFAOYSA-N	0	3	307.401	2.839	20	30		DFEDHN
N#Cc1ccccc1N1CCN(CCCC2CCOCC2)CC1	ZINC000274237637	426727059	/nfs/dbraw/zinc/72/70/59/426727059.db2.gz	VBTOMIHMQCBBGU-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCC[C@H](C)C1	ZINC000188253656	426736654	/nfs/dbraw/zinc/73/66/54/426736654.db2.gz	PQQZXPFAPMWCSD-STQMWFEESA-N	0	3	303.381	2.548	20	30		DFEDHN
COc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000281687356	426745120	/nfs/dbraw/zinc/74/51/20/426745120.db2.gz	MVBGHJVAUYSTPW-IBGZPJMESA-N	0	3	321.424	2.931	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(OC)c2)C1	ZINC000281740589	426755550	/nfs/dbraw/zinc/75/55/50/426755550.db2.gz	QJXKPWHPOVSSFL-MCFFVMPBSA-N	0	3	320.458	2.736	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccncc2)cc1	ZINC000245603695	426755937	/nfs/dbraw/zinc/75/59/37/426755937.db2.gz	JOZQGFPELBDQNP-HKUYNNGSSA-N	0	3	323.396	2.530	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCOCC2	ZINC000274388873	426759164	/nfs/dbraw/zinc/75/91/64/426759164.db2.gz	BOOFMWGHSJYXQX-DLBZAZTESA-N	0	3	318.392	2.761	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000246180140	426807687	/nfs/dbraw/zinc/80/76/87/426807687.db2.gz	MUVOYYSBIIBONE-NEPJUHHUSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC(C)OCCN1CCC(Nc2ccc(F)cc2C#N)CC1	ZINC000267011550	426811522	/nfs/dbraw/zinc/81/15/22/426811522.db2.gz	GRSXQGPGFREWKU-UHFFFAOYSA-N	0	3	305.397	2.999	20	30		DFEDHN
C#CCN1CCC(c2nc(-c3ccc(CN(C)C)cc3)no2)CC1	ZINC000267025428	426814197	/nfs/dbraw/zinc/81/41/97/426814197.db2.gz	DHKGTOIIUIWZSX-UHFFFAOYSA-N	0	3	324.428	2.611	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccnc1C#N	ZINC000267162039	426835679	/nfs/dbraw/zinc/83/56/79/426835679.db2.gz	ADQGKKUEQCKOTI-HOCLYGCPSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000180136665	426838737	/nfs/dbraw/zinc/83/87/37/426838737.db2.gz	NRRDYUWGUFDIRG-AEFFLSMTSA-N	0	3	302.418	2.531	20	30		DFEDHN
Cn1cc(CN2CC[C@@]3(CCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180240198	426846715	/nfs/dbraw/zinc/84/67/15/426846715.db2.gz	QZVDAUARCQILDH-LJQANCHMSA-N	0	3	322.412	2.571	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000246027223	426790421	/nfs/dbraw/zinc/79/04/21/426790421.db2.gz	OXCZPLLLXXPYOU-GJZGRUSLSA-N	0	3	312.454	2.693	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)Nc1ccccc1CCN(C)C	ZINC000275562494	426869787	/nfs/dbraw/zinc/86/97/87/426869787.db2.gz	BKMODFWGJGHMQN-SFHVURJKSA-N	0	3	304.434	2.958	20	30		DFEDHN
COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1C#N	ZINC000282311376	426879559	/nfs/dbraw/zinc/87/95/59/426879559.db2.gz	MZOSXIXHRRMYFH-YOEHRIQHSA-N	0	3	310.401	2.846	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000275620904	426881333	/nfs/dbraw/zinc/88/13/33/426881333.db2.gz	MNVBJFBYLNGHNA-IEBWSBKVSA-N	0	3	316.445	2.606	20	30		DFEDHN
N#Cc1ccc(OCCCN[C@@]2(CO)CCc3ccccc32)cc1	ZINC000305265251	426906991	/nfs/dbraw/zinc/90/69/91/426906991.db2.gz	YPFTVZNJFLJTSR-HXUWFJFHSA-N	0	3	322.408	2.751	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000291553683	426912050	/nfs/dbraw/zinc/91/20/50/426912050.db2.gz	UXJQBBGTROGDHQ-MRXNPFEDSA-N	0	3	307.344	2.848	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CC[C@@](C)(c2ccccc2)C1	ZINC000275762698	426912295	/nfs/dbraw/zinc/91/22/95/426912295.db2.gz	TYDWAIUHYQZZLJ-IAGOWNOFSA-N	0	3	307.459	2.687	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NCc1cccc(CN(C)C)c1	ZINC000275746349	426912346	/nfs/dbraw/zinc/91/23/46/426912346.db2.gz	RVHIIQLAVAYSRS-SFHVURJKSA-N	0	3	304.434	2.593	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CC[C@](C)(c2ccccc2)C1	ZINC000275762707	426913333	/nfs/dbraw/zinc/91/33/33/426913333.db2.gz	TYDWAIUHYQZZLJ-SJORKVTESA-N	0	3	307.459	2.687	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(O)c1	ZINC000181571210	426964485	/nfs/dbraw/zinc/96/44/85/426964485.db2.gz	QJVGVVYJVBRUTN-CYBMUJFWSA-N	0	3	309.369	2.943	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000276076341	426978912	/nfs/dbraw/zinc/97/89/12/426978912.db2.gz	KOFOWRQPCQNJAI-DOTOQJQBSA-N	0	3	301.434	2.724	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CCN1C	ZINC000328604885	426979760	/nfs/dbraw/zinc/97/97/60/426979760.db2.gz	JACBHAHIPJAAOC-JMSVASOKSA-N	0	3	321.396	2.636	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)NCCc2cccc3[nH]ccc32)C1	ZINC000328731302	426993040	/nfs/dbraw/zinc/99/30/40/426993040.db2.gz	WXAJFDBVJHUIAS-OAHLLOKOSA-N	0	3	314.433	2.698	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cnc3ccccc3c2)CC1	ZINC000189728706	426936829	/nfs/dbraw/zinc/93/68/29/426936829.db2.gz	KPUXAAVAVZMYTR-UHFFFAOYSA-N	0	3	309.413	2.544	20	30		DFEDHN
N#Cc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)ccn1	ZINC000283699930	427059151	/nfs/dbraw/zinc/05/91/51/427059151.db2.gz	CIDAZNTWMFUBJQ-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000181939754	426995511	/nfs/dbraw/zinc/99/55/11/426995511.db2.gz	IIBZPSQPRSOJRB-XJKSGUPXSA-N	0	3	309.417	2.939	20	30		DFEDHN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CN1[C@H](C)CC[C@@H]1C	ZINC000329179849	427061391	/nfs/dbraw/zinc/06/13/91/427061391.db2.gz	MUVOFNGQWMWSLZ-FQLMCAECSA-N	0	3	320.437	2.562	20	30		DFEDHN
O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCC(=O)N1	ZINC000328807709	426998221	/nfs/dbraw/zinc/99/82/21/426998221.db2.gz	NQYMDLOVAUZMPA-LSDHHAIUSA-N	0	3	301.390	2.726	20	30		DFEDHN
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCC(=O)N1	ZINC000328807708	426999759	/nfs/dbraw/zinc/99/97/59/426999759.db2.gz	NQYMDLOVAUZMPA-HUUCEWRRSA-N	0	3	301.390	2.726	20	30		DFEDHN
C[C@H](CNC(=O)[C@H]1CCc2n[nH]cc2C1)N1CCC(C)CC1	ZINC000328842795	427003430	/nfs/dbraw/zinc/00/34/30/427003430.db2.gz	VYQJUJMJFOCNAF-KGLIPLIRSA-N	0	3	304.438	2.592	20	30		DFEDHN
Cc1nsc(NC2CC2)c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000328844830	427005062	/nfs/dbraw/zinc/00/50/62/427005062.db2.gz	RGXQBUPGQZBNPB-BXKDBHETSA-N	0	3	308.451	2.813	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)s1	ZINC000328871112	427007169	/nfs/dbraw/zinc/00/71/69/427007169.db2.gz	YFFWNPMRYIQLDY-DZGCQCFKSA-N	0	3	317.458	2.943	20	30		DFEDHN
Cn1ncc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C1CC1	ZINC000328858370	427008208	/nfs/dbraw/zinc/00/82/08/427008208.db2.gz	YCYNTGAJVMFTHL-CYBMUJFWSA-N	0	3	302.422	2.619	20	30		DFEDHN
CCCn1ncc(C(=O)N[C@@H]2CCCN(CC)C2)c1C1CC1	ZINC000328940573	427015676	/nfs/dbraw/zinc/01/56/76/427015676.db2.gz	FBBIZCJDCPXGJU-CQSZACIVSA-N	0	3	304.438	2.959	20	30		DFEDHN
CC(C)n1ncnc1CNC(=O)[C@@H]1CCCN1C1CCCC1	ZINC000328991678	427022295	/nfs/dbraw/zinc/02/22/95/427022295.db2.gz	IMYJOSUYGQQLIJ-AWEZNQCLSA-N	0	3	305.426	2.723	20	30		DFEDHN
CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1	ZINC000328994935	427022341	/nfs/dbraw/zinc/02/23/41/427022341.db2.gz	GIJKSNJHAOKCCW-INIZCTEOSA-N	0	3	321.465	2.608	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(C#N)ccn1	ZINC000283604518	427041670	/nfs/dbraw/zinc/04/16/70/427041670.db2.gz	YOPFXJYSKSCHFI-UHFFFAOYSA-N	0	3	322.412	2.594	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@H](c3ccncc3)C2)cc1	ZINC000296076870	427066179	/nfs/dbraw/zinc/06/61/79/427066179.db2.gz	VRBJMFCJUQQTGF-RBUKOAKNSA-N	0	3	307.397	2.866	20	30		DFEDHN
CC(C)C[C@@H](C(=O)NCC1=CCN(C)CC1)N1CCCCC1=O	ZINC000329216449	427068490	/nfs/dbraw/zinc/06/84/90/427068490.db2.gz	OMJXVLNQSRQRAJ-INIZCTEOSA-N	0	3	321.465	2.632	20	30		DFEDHN
Cc1ccc([C@H](CN[C@@H]2CCC[C@@H](C#N)C2)N2CCOCC2)o1	ZINC000248947749	427069149	/nfs/dbraw/zinc/06/91/49/427069149.db2.gz	ZLNFCOJAIXRCEN-ZACQAIPSSA-N	0	3	317.433	2.633	20	30		DFEDHN
O=C(NCCN1CCCCCC1)c1cc2nc[nH]c2cc1F	ZINC000329292520	427084158	/nfs/dbraw/zinc/08/41/58/427084158.db2.gz	NQYRCBRILOTVMS-UHFFFAOYSA-N	0	3	304.369	2.883	20	30		DFEDHN
Cc1c(CNC(=O)N[C@@H]2CCN(C3CC3)C2)oc2ccccc12	ZINC000329340302	427096013	/nfs/dbraw/zinc/09/60/13/427096013.db2.gz	RMMBFWGYFONWSP-CYBMUJFWSA-N	0	3	313.401	2.982	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cc3nc[nH]c3cc2F)C1	ZINC000329350563	427099618	/nfs/dbraw/zinc/09/96/18/427099618.db2.gz	DHQHOBHEYCEOGA-NSHDSACASA-N	0	3	304.369	2.739	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cc3[nH]cnc3cc2F)C1	ZINC000329350563	427099619	/nfs/dbraw/zinc/09/96/19/427099619.db2.gz	DHQHOBHEYCEOGA-NSHDSACASA-N	0	3	304.369	2.739	20	30		DFEDHN
COc1ccc([C@@H](OC)[C@@H](C)NCc2cc(C#N)n(C)c2)cc1	ZINC000276578527	427104778	/nfs/dbraw/zinc/10/47/78/427104778.db2.gz	AWISCIDJDSXIMM-ACJLOTCBSA-N	0	3	313.401	2.771	20	30		DFEDHN
CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC1CCC1	ZINC000329397689	427106314	/nfs/dbraw/zinc/10/63/14/427106314.db2.gz	XXQYCKTWLUXCIW-UHFFFAOYSA-N	0	3	319.361	2.649	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccncc2F)CC1	ZINC000338043829	427108052	/nfs/dbraw/zinc/10/80/52/427108052.db2.gz	UEAKHAWPOABEHN-ZDUSSCGKSA-N	0	3	320.412	2.621	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2c1OCO2	ZINC000329460346	427119208	/nfs/dbraw/zinc/11/92/08/427119208.db2.gz	PDWHZPVKJGIISC-OLZOCXBDSA-N	0	3	317.389	2.519	20	30		DFEDHN
Cc1cc(NC(=O)NC[C@H]2CCCN2C)nn1C1CCCCC1	ZINC000329446836	427119943	/nfs/dbraw/zinc/11/99/43/427119943.db2.gz	CQFOZWQZUAWSGS-OAHLLOKOSA-N	0	3	319.453	3.117	20	30		DFEDHN
CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000329525404	427133176	/nfs/dbraw/zinc/13/31/76/427133176.db2.gz	QZNTUWXZXIBKFN-CYBMUJFWSA-N	0	3	302.422	2.669	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000190583651	427142568	/nfs/dbraw/zinc/14/25/68/427142568.db2.gz	OXIZBTMMIPZWPV-FUHWJXTLSA-N	0	3	315.461	2.964	20	30		DFEDHN
CC(C)(C)c1cnc(CNC(=O)NC2CCN(C3CC3)CC2)o1	ZINC000329567804	427143330	/nfs/dbraw/zinc/14/33/30/427143330.db2.gz	TWCYPIUDSDYCJG-UHFFFAOYSA-N	0	3	320.437	2.603	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C	ZINC000249951007	427152722	/nfs/dbraw/zinc/15/27/22/427152722.db2.gz	HNSVWHOZFTXGKH-BRWVUGGUSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@H](CO)C2)ccc1OC	ZINC000269382170	427184298	/nfs/dbraw/zinc/18/42/98/427184298.db2.gz	YFRBETJUFYRVNV-INIZCTEOSA-N	0	3	305.418	2.854	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1F	ZINC000338200828	427188254	/nfs/dbraw/zinc/18/82/54/427188254.db2.gz	OSTIYICFSUOMIL-DOMZBBRYSA-N	0	3	322.343	2.652	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)c(F)c1	ZINC000269444927	427196770	/nfs/dbraw/zinc/19/67/70/427196770.db2.gz	UJKVPJQILWAFDN-GFCCVEGCSA-N	0	3	315.314	2.671	20	30		DFEDHN
CCN(CC)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccco1	ZINC000190902345	427199061	/nfs/dbraw/zinc/19/90/61/427199061.db2.gz	HVIVWGOVOGTEMP-INIZCTEOSA-N	0	3	300.406	2.662	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c(F)c1	ZINC000269461914	427203038	/nfs/dbraw/zinc/20/30/38/427203038.db2.gz	YGKBMHVIOBBWHV-GDBMZVCRSA-N	0	3	306.406	2.842	20	30		DFEDHN
COc1ccc(CN(CC2CCC2)C(=O)C(C)C#N)c(OC)c1	ZINC000338237318	427206581	/nfs/dbraw/zinc/20/65/81/427206581.db2.gz	YDUNZCGLVHWPAO-ZDUSSCGKSA-N	0	3	316.401	2.992	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(C#N)ccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000253545216	427214449	/nfs/dbraw/zinc/21/44/49/427214449.db2.gz	IFYHIZWDZKIWJF-FRRDWIJNSA-N	0	3	303.381	2.575	20	30		DFEDHN
CCc1ccsc1C(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000330384280	427224918	/nfs/dbraw/zinc/22/49/18/427224918.db2.gz	ZEIPVKFBWOYVCB-CQSZACIVSA-N	0	3	310.463	2.708	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-]	ZINC000277540728	427234829	/nfs/dbraw/zinc/23/48/29/427234829.db2.gz	WVCCARFOFHVNLX-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
Cn1cc(CNC2(c3ccc(F)cc3)CCOCC2)cc1C#N	ZINC000191047012	427241081	/nfs/dbraw/zinc/24/10/81/427241081.db2.gz	VMIIYWRZTTVOTL-UHFFFAOYSA-N	0	3	313.376	2.831	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H](C)c2cccc(OC)c2)C1	ZINC000330466305	427245708	/nfs/dbraw/zinc/24/57/08/427245708.db2.gz	RBIDIXYSJMHBJY-HIFRSBDPSA-N	0	3	305.422	2.744	20	30		DFEDHN
CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CCCN(C)C1	ZINC000285492804	427249993	/nfs/dbraw/zinc/24/99/93/427249993.db2.gz	CIWJFEIWEKBCAK-INIZCTEOSA-N	0	3	317.408	2.528	20	30		DFEDHN
N#Cc1cccc(/C=C/C(=O)NC[C@@H]2CCCCN2C2CC2)c1	ZINC000277616371	427260709	/nfs/dbraw/zinc/26/07/09/427260709.db2.gz	VUORUYOSIWOGJH-HKMNZKMDSA-N	0	3	309.413	2.705	20	30		DFEDHN
C[C@@H](NCCn1cnc2ccccc2c1=O)c1ccc(C#N)cc1	ZINC000338352968	427273729	/nfs/dbraw/zinc/27/37/29/427273729.db2.gz	QVHSTXCALDTXHD-CQSZACIVSA-N	0	3	318.380	2.619	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000285573910	427276934	/nfs/dbraw/zinc/27/69/34/427276934.db2.gz	HVHMGDSDSOSFPH-ABAIWWIYSA-N	0	3	305.809	2.624	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285587093	427281876	/nfs/dbraw/zinc/28/18/76/427281876.db2.gz	HPMREYBXZCQCFG-XHDPSFHLSA-N	0	3	305.809	2.670	20	30		DFEDHN
CCc1ccc([C@@H](O)CNCc2ccc(OC)c(C#N)c2)cc1	ZINC000285658277	427301487	/nfs/dbraw/zinc/30/14/87/427301487.db2.gz	YXTQRBBJWGKEPY-SFHVURJKSA-N	0	3	310.397	2.952	20	30		DFEDHN
CC(C)[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000293371531	427304478	/nfs/dbraw/zinc/30/44/78/427304478.db2.gz	OZOJUAWKXGJOQK-INIZCTEOSA-N	0	3	306.381	2.557	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1C#N	ZINC000191295578	427311585	/nfs/dbraw/zinc/31/15/85/427311585.db2.gz	LHOHGRNYYMPBNB-OAHLLOKOSA-N	0	3	314.820	2.919	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)OCC	ZINC000270016689	427314341	/nfs/dbraw/zinc/31/43/41/427314341.db2.gz	HJYXGAMGGQKVFS-QZTJIDSGSA-N	0	3	318.461	2.647	20	30		DFEDHN
CSc1c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cnn1C	ZINC000331072946	427338189	/nfs/dbraw/zinc/33/81/89/427338189.db2.gz	FPCHPVNONMEVOW-LBPRGKRZSA-N	0	3	324.494	2.957	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2cccc(C#N)c2)C[C@@H]1OC	ZINC000191391524	427338877	/nfs/dbraw/zinc/33/88/77/427338877.db2.gz	WURQNSBDUNPILY-CVEARBPZSA-N	0	3	315.417	2.680	20	30		DFEDHN
CCC1(CC)[C@@H](NCC(=O)Nc2cccc(C#N)c2)C[C@@H]1OC	ZINC000191391541	427339085	/nfs/dbraw/zinc/33/90/85/427339085.db2.gz	WURQNSBDUNPILY-HOTGVXAUSA-N	0	3	315.417	2.680	20	30		DFEDHN
CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)s1	ZINC000331115413	427348028	/nfs/dbraw/zinc/34/80/28/427348028.db2.gz	NCADKKSNJQPGNV-YUSALJHKSA-N	0	3	311.451	2.946	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C)n([C@H](C)CC)n2)CC1	ZINC000330676213	427289500	/nfs/dbraw/zinc/28/95/00/427289500.db2.gz	ACEMUVAVDMQPLQ-CYBMUJFWSA-N	0	3	319.453	3.139	20	30		DFEDHN
CC(CN(C[C@@H](C)C#N)C1CC1)CN(C[C@@H](C)C#N)C1CC1	ZINC000338390319	427297538	/nfs/dbraw/zinc/29/75/38/427297538.db2.gz	WCCCQTKEFPLVDI-GJZGRUSLSA-N	0	3	302.466	2.871	20	30		DFEDHN
Cn1cc(CNCCc2nc(C(F)(F)F)cs2)cc1C#N	ZINC000191245391	427297732	/nfs/dbraw/zinc/29/77/32/427297732.db2.gz	VNDNHUWRMNUYPM-UHFFFAOYSA-N	0	3	314.336	2.704	20	30		DFEDHN
C[C@H]1CN(CCCNc2ncc(C#N)cc2Cl)CCCO1	ZINC000277962717	427371922	/nfs/dbraw/zinc/37/19/22/427371922.db2.gz	JENGMELJNOCDMH-LBPRGKRZSA-N	0	3	308.813	2.519	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1	ZINC000271013605	427372818	/nfs/dbraw/zinc/37/28/18/427372818.db2.gz	SLOQKSZILQWPEV-LSDHHAIUSA-N	0	3	315.335	2.880	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1C#N	ZINC000191560465	427378256	/nfs/dbraw/zinc/37/82/56/427378256.db2.gz	JRWWIKMJVPKFPQ-SJORKVTESA-N	0	3	317.339	2.795	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(NC(=O)C(C)C)CC2)c1	ZINC000271047103	427385048	/nfs/dbraw/zinc/38/50/48/427385048.db2.gz	MXONICSOQZHGED-UHFFFAOYSA-N	0	3	316.445	2.988	20	30		DFEDHN
COc1cccc(C(=O)NCCN2CCCC(C)(C)C2)c1O	ZINC000331285141	427392383	/nfs/dbraw/zinc/39/23/83/427392383.db2.gz	GECPONPIVVDLJF-UHFFFAOYSA-N	0	3	306.406	2.827	20	30		DFEDHN
C[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccn1	ZINC000331298520	427396076	/nfs/dbraw/zinc/39/60/76/427396076.db2.gz	AZLRVAGJBUKEAX-ZFWWWQNUSA-N	0	3	304.438	2.767	20	30		DFEDHN
Cc1cnccc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000331317370	427398533	/nfs/dbraw/zinc/39/85/33/427398533.db2.gz	JNKYFKJSIPBUOQ-HNNXBMFYSA-N	0	3	304.438	2.514	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@]1(CO)CC(C)C	ZINC000191652373	427399035	/nfs/dbraw/zinc/39/90/35/427399035.db2.gz	NUMWVOUEBGVKJZ-SFHVURJKSA-N	0	3	302.418	2.940	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)NC1(c2ccccc2)CCCCC1	ZINC000331319192	427400187	/nfs/dbraw/zinc/40/01/87/427400187.db2.gz	ZVGAKWOWBCEMBF-AWEZNQCLSA-N	0	3	317.433	2.874	20	30		DFEDHN
CCC[NH+]1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1	ZINC000331356739	427402231	/nfs/dbraw/zinc/40/22/31/427402231.db2.gz	SHOMGCDRFXUYDZ-UHFFFAOYSA-N	0	3	304.390	2.774	20	30		DFEDHN
C=CCCOCCNCc1ccccc1N1CCO[C@H](C)C1	ZINC000297634861	427414939	/nfs/dbraw/zinc/41/49/39/427414939.db2.gz	MGJDSBLAMBOCOY-MRXNPFEDSA-N	0	3	304.434	2.594	20	30		DFEDHN
C[C@@]1(CO)CCC[C@@H]1NCc1cc(C#N)ccc1Br	ZINC000331129815	427354630	/nfs/dbraw/zinc/35/46/30/427354630.db2.gz	ALTHXEBBGRBZPF-GJZGRUSLSA-N	0	3	323.234	2.961	20	30		DFEDHN
CCN(CCN1CCO[C@H](C)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000191459449	427355129	/nfs/dbraw/zinc/35/51/29/427355129.db2.gz	MPPPWVFXKYAMIY-CVEARBPZSA-N	0	3	301.434	2.662	20	30		DFEDHN
CNC(=O)NC(=O)CN(Cc1ccccc1)[C@H]1CCCC1(C)C	ZINC000331174047	427362074	/nfs/dbraw/zinc/36/20/74/427362074.db2.gz	WJFQDTGBHFBLGV-HNNXBMFYSA-N	0	3	317.433	2.727	20	30		DFEDHN
Cn1ccnc1CC1CCN(Cc2ccc(C#N)c(F)c2)CC1	ZINC000192007084	427463134	/nfs/dbraw/zinc/46/31/34/427463134.db2.gz	APOMTWMZXONFFG-UHFFFAOYSA-N	0	3	312.392	2.886	20	30		DFEDHN
CC[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(C#N)cc1	ZINC000278818960	427464013	/nfs/dbraw/zinc/46/40/13/427464013.db2.gz	SJPZWJJGUBPXFV-GOSISDBHSA-N	0	3	323.396	2.663	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](COC)[C@H]2CCCO2)cc1	ZINC000278930674	427505923	/nfs/dbraw/zinc/50/59/23/427505923.db2.gz	XKMKSVMSXRNLRW-JCGIZDLHSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1	ZINC000271364599	427510615	/nfs/dbraw/zinc/51/06/15/427510615.db2.gz	FYBWNBSNDDBORK-UHFFFAOYSA-N	0	3	303.362	2.882	20	30		DFEDHN
CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc21	ZINC000298086481	427520397	/nfs/dbraw/zinc/52/03/97/427520397.db2.gz	ZCCRJFZFSCKLJV-XLIONFOSSA-N	0	3	322.408	2.917	20	30		DFEDHN
CCOC1CC(N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000286672495	427539285	/nfs/dbraw/zinc/53/92/85/427539285.db2.gz	BQEBXJHFTAXRCG-UHFFFAOYSA-N	0	3	324.428	2.958	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@H](O)COC1CCOCC1	ZINC000279275299	427622776	/nfs/dbraw/zinc/62/27/76/427622776.db2.gz	JNXKKELWQPERRA-SFHVURJKSA-N	0	3	319.445	2.621	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000192599952	427570297	/nfs/dbraw/zinc/57/02/97/427570297.db2.gz	GSDDVPOTYGQWDG-APWZRJJASA-N	0	3	306.409	2.698	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3nccnc3C#N)c(C)c2)CC1	ZINC000263800688	427575073	/nfs/dbraw/zinc/57/50/73/427575073.db2.gz	LLUHGJVJBGRTDL-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1	ZINC000332361804	427592911	/nfs/dbraw/zinc/59/29/11/427592911.db2.gz	VBKDMCIBAWWCRS-QGZVFWFLSA-N	0	3	309.417	2.858	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H](C)CN1CCCCC1	ZINC000192779051	427609644	/nfs/dbraw/zinc/60/96/44/427609644.db2.gz	UHJKBYGPCDCVKC-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)Nc2ccccc2OC)CC1	ZINC000339025717	427631788	/nfs/dbraw/zinc/63/17/88/427631788.db2.gz	BDFHZANJHURFCR-UHFFFAOYSA-N	0	3	318.417	2.548	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(COCC)c2)CC1	ZINC000264014654	427636142	/nfs/dbraw/zinc/63/61/42/427636142.db2.gz	WFQNXMAKXVRYSX-UHFFFAOYSA-N	0	3	300.402	2.507	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC000185334727	427636317	/nfs/dbraw/zinc/63/63/17/427636317.db2.gz	NUVWRCKRYCXZBV-SFHVURJKSA-N	0	3	322.412	2.527	20	30		DFEDHN
CC(C)(C)[C@@H](CO)NCc1ccc(C#N)cc1Br	ZINC000193099931	427665685	/nfs/dbraw/zinc/66/56/85/427665685.db2.gz	OHAHGJRUVOONEO-CYBMUJFWSA-N	0	3	311.223	2.817	20	30		DFEDHN
Cn1cc(CNC[C@H]2CCCCO2)c(-c2ccc(C#N)cc2)n1	ZINC000272186835	427665781	/nfs/dbraw/zinc/66/57/81/427665781.db2.gz	UNQXIXZTXCLDCG-QGZVFWFLSA-N	0	3	310.401	2.617	20	30		DFEDHN
N#CCCOCCN1CCC2(CC1)OCCc1ccsc12	ZINC000339079309	427666106	/nfs/dbraw/zinc/66/61/06/427666106.db2.gz	XKTIVJLTOUBXNC-UHFFFAOYSA-N	0	3	306.431	2.542	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1	ZINC000339011867	427625398	/nfs/dbraw/zinc/62/53/98/427625398.db2.gz	UVJMBQZYYURQMP-RYRKJORJSA-N	0	3	311.429	2.821	20	30		DFEDHN
C[C@H](C#N)CNC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000193154351	427674940	/nfs/dbraw/zinc/67/49/40/427674940.db2.gz	RIBINMZVOVGFGK-CQSZACIVSA-N	0	3	301.390	2.537	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2cn3ccccc3c2C#N)CC1	ZINC000344082428	272259407	/nfs/dbraw/zinc/25/94/07/272259407.db2.gz	DKTFNKIPTKDDTB-UHFFFAOYSA-N	0	3	324.428	2.690	20	30		DFEDHN
C[C@H]1CCCN1C(=O)CCN(Cc1ccc(C#N)cc1)C1CC1	ZINC000344115514	272266325	/nfs/dbraw/zinc/26/63/25/272266325.db2.gz	OCMPKXMEKXEAFK-HNNXBMFYSA-N	0	3	311.429	2.924	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCO[C@H]2c2cccnc2)cc1C#N	ZINC000344246672	272296898	/nfs/dbraw/zinc/29/68/98/272296898.db2.gz	IBPJKWIXFAAZQU-MJGOQNOKSA-N	0	3	323.396	2.924	20	30		DFEDHN
Cc1ccc(CNCc2cccc(C#N)c2)c(N2CCOCC2)c1	ZINC000344871275	272379744	/nfs/dbraw/zinc/37/97/44/272379744.db2.gz	FUUZAQCMRKSBIC-UHFFFAOYSA-N	0	3	321.424	2.993	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@H]2CCCCN2C1=O)C(C)C	ZINC000272261671	427688620	/nfs/dbraw/zinc/68/86/20/427688620.db2.gz	MGGZHQCWSPJTEE-CVEARBPZSA-N	0	3	319.449	2.502	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)CCCOC)C(C)C	ZINC000272298094	427701380	/nfs/dbraw/zinc/70/13/80/427701380.db2.gz	GLXYSPAESOYWPY-IAGOWNOFSA-N	0	3	310.482	2.864	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000193765509	427712792	/nfs/dbraw/zinc/71/27/92/427712792.db2.gz	GHZABGHDJCEBSS-GOSISDBHSA-N	0	3	319.408	2.810	20	30		DFEDHN
CCN1CC[C@H]2OCCN(Cc3ccc(C#N)cc3Cl)[C@H]2C1	ZINC000339389333	427764984	/nfs/dbraw/zinc/76/49/84/427764984.db2.gz	GAMGSQVXXKGMMI-DLBZAZTESA-N	0	3	319.836	2.507	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2cc(Cl)ccc2C#N)CC1	ZINC000301208244	427781277	/nfs/dbraw/zinc/78/12/77/427781277.db2.gz	RWTMYEONJHKCME-ZDUSSCGKSA-N	0	3	306.841	2.650	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCO[C@@H](C)C2)CC1	ZINC000334038146	427731860	/nfs/dbraw/zinc/73/18/60/427731860.db2.gz	VPRORZQFQTZJBE-HOTGVXAUSA-N	0	3	323.481	2.531	20	30		DFEDHN
CN(C)CCN(C(=O)c1sccc1C#N)C1CCCCC1	ZINC000194600675	427749173	/nfs/dbraw/zinc/74/91/73/427749173.db2.gz	CTHHNRDLJGQSRC-UHFFFAOYSA-N	0	3	305.447	2.956	20	30		DFEDHN
CCCN(CCCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1	ZINC000336827751	427753988	/nfs/dbraw/zinc/75/39/88/427753988.db2.gz	IDYJQZAQOMAXAU-AWEZNQCLSA-N	0	3	300.468	2.606	20	30		DFEDHN
C=CCN1CC[C@H](N(CC)[C@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337172686	427809460	/nfs/dbraw/zinc/80/94/60/427809460.db2.gz	GSDWTYMRSQMURW-QAPCUYQASA-N	0	3	316.445	2.735	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc3ncsc3c2)C1=O	ZINC000337181965	427810843	/nfs/dbraw/zinc/81/08/43/427810843.db2.gz	BCKFFIOWELAYDN-SMDDNHRTSA-N	0	3	301.415	2.734	20	30		DFEDHN
Cc1cccc2c(N(C)CCCc3[nH]nc(N)c3C#N)ccnc12	ZINC000301643739	427811937	/nfs/dbraw/zinc/81/19/37/427811937.db2.gz	CDZYXLGPVWDHPR-UHFFFAOYSA-N	0	3	320.400	2.789	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(-c3ncon3)cc2)nc(C)n1	ZINC000337195664	427813317	/nfs/dbraw/zinc/81/33/17/427813317.db2.gz	WYFGNQPPGNOJEX-AWEZNQCLSA-N	0	3	319.324	2.634	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)C1=O	ZINC000337206635	427815258	/nfs/dbraw/zinc/81/52/58/427815258.db2.gz	MXTCNJAYEZKGPG-WBAXXEDZSA-N	0	3	314.429	2.865	20	30		DFEDHN
N#CCSCCCN[C@H](CO)c1cccc(Cl)c1F	ZINC000337232272	427819552	/nfs/dbraw/zinc/81/95/52/427819552.db2.gz	VMQCAOHONJVCCM-GFCCVEGCSA-N	0	3	302.802	2.749	20	30		DFEDHN
N#Cc1ccc(NCc2ccccc2CN2CCC(O)CC2)cn1	ZINC000301772373	427823506	/nfs/dbraw/zinc/82/35/06/427823506.db2.gz	PSLPANYWPQUFNH-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
CCN1CCC[C@H]1CN(Cc1ccncc1)c1cccc(C#N)n1	ZINC000301843240	427828869	/nfs/dbraw/zinc/82/88/69/427828869.db2.gz	KOVYCTHTXHWTBE-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccc(C#N)nn2)[C@H]1c1cccs1	ZINC000301892591	427834335	/nfs/dbraw/zinc/83/43/35/427834335.db2.gz	AFINNZLNSIRRHZ-LRDDRELGSA-N	0	3	313.430	2.905	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C1(CC)CC	ZINC000359422518	427845597	/nfs/dbraw/zinc/84/55/97/427845597.db2.gz	LKFPGUOWJOTIOB-ARFHVFGLSA-N	0	3	310.482	2.983	20	30		DFEDHN
CCOc1c(OC)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC	ZINC000349788005	427864117	/nfs/dbraw/zinc/86/41/17/427864117.db2.gz	KGMPSUUWQFIOES-GXTWGEPZSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=CCC1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCC1	ZINC000359477900	427868067	/nfs/dbraw/zinc/86/80/67/427868067.db2.gz	FOJLDSXEQARMLR-UHFFFAOYSA-N	0	3	312.457	2.948	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCN1C	ZINC000339933876	427876460	/nfs/dbraw/zinc/87/64/60/427876460.db2.gz	HVUPKCSGXAFHHG-KRWDZBQOSA-N	0	3	301.434	2.521	20	30		DFEDHN
CN(C)CCOc1ccccc1CNc1c(C#N)cccc1C#N	ZINC000302881528	427885062	/nfs/dbraw/zinc/88/50/62/427885062.db2.gz	JAYXSEPTCRWAQK-UHFFFAOYSA-N	0	3	320.396	2.982	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000303054576	427897838	/nfs/dbraw/zinc/89/78/38/427897838.db2.gz	ZBECYAJUCBTSEV-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)oc1C)c1ccco1	ZINC000359565484	427912534	/nfs/dbraw/zinc/91/25/34/427912534.db2.gz	UXBXUYMFLZPSPU-XHDPSFHLSA-N	0	3	315.373	2.912	20	30		DFEDHN
C=C(C)CN1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1	ZINC000350621024	427959026	/nfs/dbraw/zinc/95/90/26/427959026.db2.gz	YEELAUHDSSCZMS-UHFFFAOYSA-N	0	3	307.369	2.864	20	30		DFEDHN
COc1cccc(Oc2ncccc2CNC(=O)C(C)C#N)c1	ZINC000355867065	427928597	/nfs/dbraw/zinc/92/85/97/427928597.db2.gz	SHFUDWJMNHPAIA-GFCCVEGCSA-N	0	3	311.341	2.658	20	30		DFEDHN
CC(C)(C#N)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000350072935	427933105	/nfs/dbraw/zinc/93/31/05/427933105.db2.gz	JNAMXRRVABKDOA-CYBMUJFWSA-N	0	3	317.393	2.806	20	30		DFEDHN
CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCN(C2CC2)C1	ZINC000355885362	427935991	/nfs/dbraw/zinc/93/59/91/427935991.db2.gz	QNUGHSPQLNEPFN-HNNXBMFYSA-N	0	3	315.442	2.611	20	30		DFEDHN
CCN1CCN(c2ccccc2CN[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000350454822	427938404	/nfs/dbraw/zinc/93/84/04/427938404.db2.gz	FYVSJSRKXRVINZ-SJLPKXTDSA-N	0	3	312.461	2.610	20	30		DFEDHN
COc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1C#N	ZINC000340174948	427944651	/nfs/dbraw/zinc/94/46/51/427944651.db2.gz	UCCOCGQVSKYLAH-HOTGVXAUSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#Cc1ccncc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000340904687	427946462	/nfs/dbraw/zinc/94/64/62/427946462.db2.gz	UPLATAJCWJNAAI-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
CN(CCN1CCCC1)Cc1ccc(C#N)cc1OC(F)F	ZINC000340912901	427950148	/nfs/dbraw/zinc/95/01/48/427950148.db2.gz	VZXTVZBRURNPOD-UHFFFAOYSA-N	0	3	309.360	2.687	20	30		DFEDHN
C[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000413349376	428026973	/nfs/dbraw/zinc/02/69/73/428026973.db2.gz	GMPHHUSZWKCGHU-RSUWNVLCSA-N	0	3	303.381	2.768	20	30		DFEDHN
Cc1ccc(NC2CCN(Cc3cccs3)CC2)nc1C#N	ZINC000376958459	428029713	/nfs/dbraw/zinc/02/97/13/428029713.db2.gz	QHTRISDMEOSOMN-UHFFFAOYSA-N	0	3	312.442	3.400	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cnn(-c2ccc(Cl)cc2)c1	ZINC000341297783	428033461	/nfs/dbraw/zinc/03/34/61/428033461.db2.gz	JSOAAJNFKZJBAV-ZDUSSCGKSA-N	0	3	305.809	2.800	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(Br)c(OC)s1	ZINC000341320724	428034586	/nfs/dbraw/zinc/03/45/86/428034586.db2.gz	ZYNNHBUMISJVJS-SECBINFHSA-N	0	3	320.252	2.793	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000369723376	428045242	/nfs/dbraw/zinc/04/52/42/428045242.db2.gz	WKFLLURCGBGFGN-RBUKOAKNSA-N	0	3	320.392	2.947	20	30		DFEDHN
COC[C@@H](O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359854654	428045773	/nfs/dbraw/zinc/04/57/73/428045773.db2.gz	YVPSACXQBRBSBK-LIRRHRJNSA-N	0	3	310.397	2.883	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000413439373	428050712	/nfs/dbraw/zinc/05/07/12/428050712.db2.gz	NJNSKJSKQDVQOR-NXHRZFHOSA-N	0	3	315.461	2.956	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCC(Cc2cccnc2)CC1	ZINC000369744177	428052038	/nfs/dbraw/zinc/05/20/38/428052038.db2.gz	DISZAJWSQUVPJD-UHFFFAOYSA-N	0	3	313.445	2.537	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1	ZINC000359869283	428053699	/nfs/dbraw/zinc/05/36/99/428053699.db2.gz	KZZVROGWTCVRPR-GOEBONIOSA-N	0	3	320.408	2.752	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)CC(F)(F)F)CC1	ZINC000413245084	428001143	/nfs/dbraw/zinc/00/11/43/428001143.db2.gz	RTMAGRFYZYCMMG-LBPRGKRZSA-N	0	3	321.387	2.915	20	30		DFEDHN
C[C@H](N[C@H]1CCNC1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359762307	428009121	/nfs/dbraw/zinc/00/91/21/428009121.db2.gz	GEWRGKJLJYNIEA-UGSOOPFHSA-N	0	3	305.381	2.764	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)n(C)c2)C1	ZINC000359771760	428013596	/nfs/dbraw/zinc/01/35/96/428013596.db2.gz	VQFRZULZGFIZAI-MAUKXSAKSA-N	0	3	308.429	2.822	20	30		DFEDHN
Cn1cc(CNCCc2nc(-c3ccncc3)cs2)cc1C#N	ZINC000359770201	428014055	/nfs/dbraw/zinc/01/40/55/428014055.db2.gz	UBSXCEXDXHKOKV-UHFFFAOYSA-N	0	3	323.425	2.748	20	30		DFEDHN
CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000341213712	428016311	/nfs/dbraw/zinc/01/63/11/428016311.db2.gz	RMFFLYNTXFXDSX-GOSISDBHSA-N	0	3	307.397	2.915	20	30		DFEDHN
C[C@H](NC[C@@H]1CCCN1c1cccnn1)c1ccc(C#N)s1	ZINC000369840235	428072640	/nfs/dbraw/zinc/07/26/40/428072640.db2.gz	KJZVUQPWLAASGN-STQMWFEESA-N	0	3	313.430	2.729	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)ccc1OC	ZINC000346326463	428127587	/nfs/dbraw/zinc/12/75/87/428127587.db2.gz	IABXTCNFEZBPRJ-GVDBMIGSSA-N	0	3	317.429	2.853	20	30		DFEDHN
C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1cccc(C#N)c1	ZINC000356282398	428102425	/nfs/dbraw/zinc/10/24/25/428102425.db2.gz	PLKNTNMHYGGJGH-KXBFYZLASA-N	0	3	311.429	2.606	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(C#N)ccn2)C1	ZINC000352039815	428125174	/nfs/dbraw/zinc/12/51/74/428125174.db2.gz	JLKXTRKYHTWIFF-RHSMWYFYSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@H]2CCCc3ccccc32)C(N)=O)cc1	ZINC000360059811	428138177	/nfs/dbraw/zinc/13/81/77/428138177.db2.gz	JLXJWGWVXLNIKZ-MJGOQNOKSA-N	0	3	319.408	2.794	20	30		DFEDHN
C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000360061544	428138361	/nfs/dbraw/zinc/13/83/61/428138361.db2.gz	SCILNZBPNNRHNS-SJKOYZFVSA-N	0	3	311.360	2.617	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC1	ZINC000413824581	428144026	/nfs/dbraw/zinc/14/40/26/428144026.db2.gz	DBGGLWLOYLNFIM-KRWDZBQOSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C)CC1	ZINC000413830542	428144282	/nfs/dbraw/zinc/14/42/82/428144282.db2.gz	XYSTZAJAUYKUFV-KRWDZBQOSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(CC)CC1	ZINC000413832264	428146372	/nfs/dbraw/zinc/14/63/72/428146372.db2.gz	IWNMULOMLFTVOQ-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2CCCCN2CC)cc1	ZINC000346414124	428162803	/nfs/dbraw/zinc/16/28/03/428162803.db2.gz	FWHZBDGJIFKTOP-INIZCTEOSA-N	0	3	302.418	2.856	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1	ZINC000360120340	428170517	/nfs/dbraw/zinc/17/05/17/428170517.db2.gz	UTMFLAPPRFMCPD-HOTGVXAUSA-N	0	3	313.445	2.898	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)N1CCC(C)CC1	ZINC000360120341	428171077	/nfs/dbraw/zinc/17/10/77/428171077.db2.gz	UTMFLAPPRFMCPD-HZPDHXFCSA-N	0	3	313.445	2.898	20	30		DFEDHN
C[C@H]1C[C@@H](CN2CCN(c3cccc(F)c3C#N)CC2)CCO1	ZINC000352695302	428208969	/nfs/dbraw/zinc/20/89/69/428208969.db2.gz	YEFLFTVMNJROPW-GJZGRUSLSA-N	0	3	317.408	2.634	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000370433445	428209364	/nfs/dbraw/zinc/20/93/64/428209364.db2.gz	KTQXPXIFERSHIZ-GOEBONIOSA-N	0	3	319.474	2.844	20	30		DFEDHN
Cc1c[nH]nc1CNCC1CCN(c2ccccc2C#N)CC1	ZINC000377729471	428212270	/nfs/dbraw/zinc/21/22/70/428212270.db2.gz	VZWFVWQNNNATOD-UHFFFAOYSA-N	0	3	309.417	2.596	20	30		DFEDHN
CN(CCNc1nccc(C#N)c1Cl)Cc1ccccc1	ZINC000341823266	428218251	/nfs/dbraw/zinc/21/82/51/428218251.db2.gz	MHEQPIVFGPDUAK-UHFFFAOYSA-N	0	3	300.793	3.151	20	30		DFEDHN
C[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)c1cccc(C#N)c1	ZINC000360185547	428196071	/nfs/dbraw/zinc/19/60/71/428196071.db2.gz	ZTBXSOIFKKHGLA-CRAIPNDOSA-N	0	3	311.429	2.749	20	30		DFEDHN
C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccc(C#N)c1	ZINC000360362807	428268949	/nfs/dbraw/zinc/26/89/49/428268949.db2.gz	IUIHQRJISDBLHU-HNNXBMFYSA-N	0	3	313.445	2.995	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360365799	428270183	/nfs/dbraw/zinc/27/01/83/428270183.db2.gz	QIXSXFAHLOKKNP-HNNXBMFYSA-N	0	3	301.434	2.708	20	30		DFEDHN
N#Cc1csc(CNC[C@@H]2CCCN2Cc2ccccc2)n1	ZINC000352837628	428273811	/nfs/dbraw/zinc/27/38/11/428273811.db2.gz	OTQSGCPGCDEJBF-INIZCTEOSA-N	0	3	312.442	2.769	20	30		DFEDHN
COCC1(C#N)CCN(Cc2ccc(-n3ccnc3)cc2C)CC1	ZINC000341999822	428275389	/nfs/dbraw/zinc/27/53/89/428275389.db2.gz	YKENLAVKPAPEIN-UHFFFAOYSA-N	0	3	324.428	2.933	20	30		DFEDHN
C=CCN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000341903324	428246669	/nfs/dbraw/zinc/24/66/69/428246669.db2.gz	BGAABBZVRKGPIH-IBGZPJMESA-N	0	3	300.446	2.928	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NCc1nc(C#N)cs1	ZINC000352810358	428258490	/nfs/dbraw/zinc/25/84/90/428258490.db2.gz	MLWKWDAXFQOPML-ZDUSSCGKSA-N	0	3	300.431	2.625	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(c3nccs3)CC2)cc1	ZINC000378149220	428320795	/nfs/dbraw/zinc/32/07/95/428320795.db2.gz	ZMIHIPFIOALRCJ-MRXNPFEDSA-N	0	3	313.426	2.928	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(C#N)cc3F)C[C@H]1CCCC2	ZINC000342181906	428336400	/nfs/dbraw/zinc/33/64/00/428336400.db2.gz	WCSACTIRXDABBL-CRAIPNDOSA-N	0	3	316.376	2.863	20	30		DFEDHN
N#CC1(NC(=O)CN(Cc2ccccc2)CC2CCC2)CCC1	ZINC000346832020	428338284	/nfs/dbraw/zinc/33/82/84/428338284.db2.gz	JDJNVBOSRYUJCO-UHFFFAOYSA-N	0	3	311.429	2.851	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000346970698	428389588	/nfs/dbraw/zinc/38/95/88/428389588.db2.gz	YCRIMBUEZJHFGP-KRWDZBQOSA-N	0	3	316.420	2.891	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1	ZINC000347002484	428403589	/nfs/dbraw/zinc/40/35/89/428403589.db2.gz	CVNZAYGVPGQVBO-MRXNPFEDSA-N	0	3	300.402	2.560	20	30		DFEDHN
CN(C(=O)[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2)C1CC1	ZINC000378467527	428404688	/nfs/dbraw/zinc/40/46/88/428404688.db2.gz	UDUBAXHXWUCQGX-SFHVURJKSA-N	0	3	323.440	2.781	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1	ZINC000347029763	428412378	/nfs/dbraw/zinc/41/23/78/428412378.db2.gz	BJAOFALUBHCJFJ-AWEZNQCLSA-N	0	3	318.380	2.860	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1	ZINC000347030668	428412758	/nfs/dbraw/zinc/41/27/58/428412758.db2.gz	CISYKWMDNZKSLV-GXFFZTMASA-N	0	3	323.190	2.509	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1C1CC1	ZINC000353031518	428361046	/nfs/dbraw/zinc/36/10/46/428361046.db2.gz	VJZYQIRHUZKMRR-LSDHHAIUSA-N	0	3	318.804	2.843	20	30		DFEDHN
C[C@H](C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C)c1cccc(C#N)c1	ZINC000360597808	428364406	/nfs/dbraw/zinc/36/44/06/428364406.db2.gz	QGOUKQXTGISCJL-MPGHIAIKSA-N	0	3	311.429	2.747	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](c2cc(C)[nH]n2)C1	ZINC000378365530	428377207	/nfs/dbraw/zinc/37/72/07/428377207.db2.gz	VQBHETDHTDZEDH-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](c2cc(C)n[nH]2)C1	ZINC000378365530	428377210	/nfs/dbraw/zinc/37/72/10/428377210.db2.gz	VQBHETDHTDZEDH-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
C=C[C@H](C)N[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000360656722	428386548	/nfs/dbraw/zinc/38/65/48/428386548.db2.gz	JSEXKUPAQQRMDA-GXFFZTMASA-N	0	3	316.854	2.863	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@H](CCOC)C1	ZINC000342702353	428439339	/nfs/dbraw/zinc/43/93/39/428439339.db2.gz	ONTUEPUDWZAIFG-IAGOWNOFSA-N	0	3	310.482	2.938	20	30		DFEDHN
Cc1nc(C[C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)no1	ZINC000342721347	428439971	/nfs/dbraw/zinc/43/99/71/428439971.db2.gz	HTBXBAGYYAXVEA-QGZVFWFLSA-N	0	3	310.401	2.899	20	30		DFEDHN
COc1cccc(CNC(=O)C(C)C#N)c1OC1CCCC1	ZINC000347099451	428444160	/nfs/dbraw/zinc/44/41/60/428444160.db2.gz	DMOCCMNKQWGDEL-GFCCVEGCSA-N	0	3	302.374	2.792	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1ccccc1F)CC2	ZINC000353245156	428446603	/nfs/dbraw/zinc/44/66/03/428446603.db2.gz	WAZPRTVDNIQYEQ-SFHVURJKSA-N	0	3	323.371	2.704	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNc1nccc(C#N)c1Cl	ZINC000342787952	428456134	/nfs/dbraw/zinc/45/61/34/428456134.db2.gz	WNNWNTORJIVITI-CQSZACIVSA-N	0	3	306.841	3.529	20	30		DFEDHN
CN(CC(=O)OC(C)(C)C)C1CCN(CCC(C)(C)C#N)CC1	ZINC000347121228	428456861	/nfs/dbraw/zinc/45/68/61/428456861.db2.gz	LISUUQYIUIYVTH-UHFFFAOYSA-N	0	3	323.481	2.664	20	30		DFEDHN
C[C@H]1[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CCCN1C	ZINC000342837069	428466315	/nfs/dbraw/zinc/46/63/15/428466315.db2.gz	VTXQIRPZTGBIKP-CMPLNLGQSA-N	0	3	303.797	2.754	20	30		DFEDHN
Cc1nc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1C#N	ZINC000389846544	428467029	/nfs/dbraw/zinc/46/70/29/428467029.db2.gz	OIWAGVCFRBPNRM-KDOFPFPSSA-N	0	3	306.413	3.194	20	30		DFEDHN
Cc1nc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1C#N	ZINC000389846545	428467918	/nfs/dbraw/zinc/46/79/18/428467918.db2.gz	OIWAGVCFRBPNRM-KSSFIOAISA-N	0	3	306.413	3.194	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C[C@@H]21	ZINC000372980255	428510543	/nfs/dbraw/zinc/51/05/43/428510543.db2.gz	NJTAJKCAPNZPAU-PBHICJAKSA-N	0	3	311.429	2.654	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000343055226	428512331	/nfs/dbraw/zinc/51/23/31/428512331.db2.gz	SBYCVGIOOZUJNR-AWEZNQCLSA-N	0	3	317.393	2.581	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C(=O)OC)[C@H]2C)cc(OC)c1O	ZINC000347272387	428521063	/nfs/dbraw/zinc/52/10/63/428521063.db2.gz	DJZGCKYFQLRPPN-DOMZBBRYSA-N	0	3	319.401	2.513	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CCCCO2)C1	ZINC000373182723	428521922	/nfs/dbraw/zinc/52/19/22/428521922.db2.gz	LGRSUZVZLZIHQM-SJLPKXTDSA-N	0	3	308.466	2.835	20	30		DFEDHN
N#Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1	ZINC000373243040	428526157	/nfs/dbraw/zinc/52/61/57/428526157.db2.gz	NDOMTXGEBVBULD-UHFFFAOYSA-N	0	3	311.345	2.500	20	30		DFEDHN
C=CCN(C(=O)c1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372601690	428473897	/nfs/dbraw/zinc/47/38/97/428473897.db2.gz	RLMVLLXMPQAPKO-GOSISDBHSA-N	0	3	321.424	2.984	20	30		DFEDHN
C=CCN(C(=O)CCCOC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372603406	428475137	/nfs/dbraw/zinc/47/51/37/428475137.db2.gz	YZQJNVMDFSZRNA-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1	ZINC000361566027	428580769	/nfs/dbraw/zinc/58/07/69/428580769.db2.gz	PMOXBZRJFOOVDK-RKDXNWHRSA-N	0	3	313.170	2.795	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](C)[C@@H](CO)C2)ccc1OC	ZINC000361658287	428584958	/nfs/dbraw/zinc/58/49/58/428584958.db2.gz	FFQHQVVQVVLCAG-GOEBONIOSA-N	0	3	305.418	2.710	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCOC2CCCCC2)CC1	ZINC000358197935	428585960	/nfs/dbraw/zinc/58/59/60/428585960.db2.gz	XYMCMSCLSXLNNV-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)CC[C@H]2C)cc1OC	ZINC000353444886	428540786	/nfs/dbraw/zinc/54/07/86/428540786.db2.gz	GRGQQZIOMMSHAH-OAHLLOKOSA-N	0	3	304.434	2.786	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2cc(Br)ccc2C[C@@H]1C	ZINC000347316171	428542878	/nfs/dbraw/zinc/54/28/78/428542878.db2.gz	KDLZRQJVBGBCMB-UWVGGRQHSA-N	0	3	307.191	2.882	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNC(=O)c1cscc1C#N	ZINC000343339078	428545751	/nfs/dbraw/zinc/54/57/51/428545751.db2.gz	KXAIQOQNSUQCAT-CQSZACIVSA-N	0	3	305.447	2.860	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSCc2ccc(C)cc2)CC1	ZINC000357583153	428547645	/nfs/dbraw/zinc/54/76/45/428547645.db2.gz	QWCBGXOOCSOHPJ-UHFFFAOYSA-N	0	3	318.486	2.995	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@H](C)N2CCC[C@H](C)C2)c1C#N	ZINC000343481127	428548556	/nfs/dbraw/zinc/54/85/56/428548556.db2.gz	SVRIXKPTCLCWJJ-RYUDHWBXSA-N	0	3	306.841	3.447	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cncc3ccccc32)CC1	ZINC000361220415	428550917	/nfs/dbraw/zinc/55/09/17/428550917.db2.gz	KDAYEUYRWYOYJC-UHFFFAOYSA-N	0	3	323.440	2.934	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000401315198	428554022	/nfs/dbraw/zinc/55/40/22/428554022.db2.gz	YGUOXTHPKJRWPL-HOCLYGCPSA-N	0	3	307.401	2.813	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000357798608	428563897	/nfs/dbraw/zinc/56/38/97/428563897.db2.gz	LZEGELIIHSCMQV-ZDUSSCGKSA-N	0	3	314.385	2.545	20	30		DFEDHN
COc1cccc([C@@H](C)N2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373403517	428566713	/nfs/dbraw/zinc/56/67/13/428566713.db2.gz	IBMZHALTFBCNFJ-CYBMUJFWSA-N	0	3	311.389	2.556	20	30		DFEDHN
CC1(C)[C@H](O)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000361420494	428567648	/nfs/dbraw/zinc/56/76/48/428567648.db2.gz	NWUCRSZFIZGUEN-CQSZACIVSA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000361429307	428568838	/nfs/dbraw/zinc/56/88/38/428568838.db2.gz	HCSYBANXFKKARJ-UKRRQHHQSA-N	0	3	307.825	2.818	20	30		DFEDHN
C[C@@H](NC(=O)c1cccc(SCC#N)c1)C1=CCN(C)CC1	ZINC000357915807	428573034	/nfs/dbraw/zinc/57/30/34/428573034.db2.gz	GZSZWQFIOWWDSB-CYBMUJFWSA-N	0	3	315.442	2.682	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cc(C#N)n(C)c1	ZINC000361547132	428575067	/nfs/dbraw/zinc/57/50/67/428575067.db2.gz	DVHSKSLJHBGDTG-IRXDYDNUSA-N	0	3	322.456	2.992	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)c1nc2ccccc2n1C(F)F)C1CC1	ZINC000358095245	428578885	/nfs/dbraw/zinc/57/88/85/428578885.db2.gz	KLWPYJASMJKEAF-GXSJLCMTSA-N	0	3	318.327	2.953	20	30		DFEDHN
C=CCc1cccc(C(C)C)c1NC(=O)NCCNCCOC	ZINC000415578712	428599008	/nfs/dbraw/zinc/59/90/08/428599008.db2.gz	IXUHGEQMMCVUST-UHFFFAOYSA-N	0	3	319.449	2.896	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1	ZINC000408090540	428600580	/nfs/dbraw/zinc/60/05/80/428600580.db2.gz	RWBPGLNUPVVEPY-INMHGKMJSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCN(CCOC)CCOc1ccc(Br)cc1	ZINC000362050719	428613430	/nfs/dbraw/zinc/61/34/30/428613430.db2.gz	SJPNJMRQCVYELP-UHFFFAOYSA-N	0	3	314.223	2.962	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1C#N	ZINC000373634176	428624993	/nfs/dbraw/zinc/62/49/93/428624993.db2.gz	MNIVNTUSRZVSAF-YJBOKZPZSA-N	0	3	308.381	2.877	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@@H]1CCCN1CCC	ZINC000347777224	428625405	/nfs/dbraw/zinc/62/54/05/428625405.db2.gz	LOKZFOFHRYCKFP-INIZCTEOSA-N	0	3	302.418	2.742	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CNC)c1	ZINC000415956740	428634909	/nfs/dbraw/zinc/63/49/09/428634909.db2.gz	IYDFSQRCMXWLNT-HOCLYGCPSA-N	0	3	303.406	2.509	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C(F)F)C(C)C	ZINC000348018174	428634886	/nfs/dbraw/zinc/63/48/86/428634886.db2.gz	YWWWQULAMCZZEL-BFHYXJOUSA-N	0	3	315.408	2.638	20	30		DFEDHN
C=CCOCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000347960210	428633657	/nfs/dbraw/zinc/63/36/57/428633657.db2.gz	FJPIIPQIMIHZFI-UHFFFAOYSA-N	0	3	315.417	2.972	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000348060837	428636585	/nfs/dbraw/zinc/63/65/85/428636585.db2.gz	SCWPQEDEQHZZOW-UHFFFAOYSA-N	0	3	320.433	2.683	20	30		DFEDHN
C=CCc1cc(CNC(=O)[C@](C)(N)CCC)cc(OC)c1OC	ZINC000353643082	428636123	/nfs/dbraw/zinc/63/61/23/428636123.db2.gz	POIWXCYSLYASKK-GOSISDBHSA-N	0	3	320.433	2.566	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NCCOc2cccc(C)c2)CC1	ZINC000348184726	428645569	/nfs/dbraw/zinc/64/55/69/428645569.db2.gz	MRSBWTAEFIIYIE-INIZCTEOSA-N	0	3	316.445	2.777	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NCCN1CCCC(C)(C)C1	ZINC000358734155	428648232	/nfs/dbraw/zinc/64/82/32/428648232.db2.gz	MMPJQBCZVUJLBH-UHFFFAOYSA-N	0	3	308.470	2.738	20	30		DFEDHN
Cn1cc([C@H]2CCCN2CCCC2(C#N)CCOCC2)cn1	ZINC000374163747	428667909	/nfs/dbraw/zinc/66/79/09/428667909.db2.gz	UOIZCDITYCARMG-MRXNPFEDSA-N	0	3	302.422	2.658	20	30		DFEDHN
CCCN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccc(C#N)cc1	ZINC000362241338	428673467	/nfs/dbraw/zinc/67/34/67/428673467.db2.gz	YXDULDKUKHHWCT-KDURUIRLSA-N	0	3	313.445	2.633	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCC[C@](C)(OC)C1	ZINC000348239808	428673924	/nfs/dbraw/zinc/67/39/24/428673924.db2.gz	PLMYVCBGIKJEQU-MJGOQNOKSA-N	0	3	319.445	2.656	20	30		DFEDHN
CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCCC#N)C1	ZINC000362353399	428717216	/nfs/dbraw/zinc/71/72/16/428717216.db2.gz	NPWZUPOYPFAKGW-CYBMUJFWSA-N	0	3	319.371	2.803	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000362370852	428721261	/nfs/dbraw/zinc/72/12/61/428721261.db2.gz	NSFYCQPJHKJXNW-PBHICJAKSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000362378267	428726732	/nfs/dbraw/zinc/72/67/32/428726732.db2.gz	DBEWHTGWNLLJAC-HZPDHXFCSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCOCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000348401653	428732395	/nfs/dbraw/zinc/73/23/95/428732395.db2.gz	GIJKBVWHKDCYAV-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000358800433	428681532	/nfs/dbraw/zinc/68/15/32/428681532.db2.gz	BNKADNFXMQZLRP-CVEARBPZSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)N(C)C	ZINC000416221823	428693524	/nfs/dbraw/zinc/69/35/24/428693524.db2.gz	CPBVDZUDAOBZLD-LNLFQRSKSA-N	0	3	316.445	2.777	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000348470124	428754345	/nfs/dbraw/zinc/75/43/45/428754345.db2.gz	PWQKYTYTQNXHLS-RBSFLKMASA-N	0	3	323.506	2.981	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(n2cc(Br)cn2)CC1	ZINC000411256595	428767268	/nfs/dbraw/zinc/76/72/68/428767268.db2.gz	RDLQGSIQYFVIHM-NSHDSACASA-N	0	3	311.227	2.975	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C	ZINC000348529522	428772775	/nfs/dbraw/zinc/77/27/75/428772775.db2.gz	FQQCIOQOOFQQAK-CLCXKQKWSA-N	0	3	316.445	2.954	20	30		DFEDHN
N#CC[C@@H](CC(=O)NC1CCN(C2CC2)CC1)c1ccccc1	ZINC000353826597	428737489	/nfs/dbraw/zinc/73/74/89/428737489.db2.gz	NGBLHCXMYFRHDI-INIZCTEOSA-N	0	3	311.429	2.817	20	30		DFEDHN
Cn1nc(CCNCc2ccc(C#N)cc2F)c2ccccc21	ZINC000358959780	428749855	/nfs/dbraw/zinc/74/98/55/428749855.db2.gz	BOCPKHDXUYDDNR-UHFFFAOYSA-N	0	3	308.360	2.916	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCOCC2)CN1CCC1(C#N)CCCCC1	ZINC000411724160	428848070	/nfs/dbraw/zinc/84/80/70/428848070.db2.gz	YLBSHCSSJMQIPD-DLBZAZTESA-N	0	3	305.466	2.646	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)c2ccc(F)c(C#N)c2)cc1	ZINC000348658967	428807840	/nfs/dbraw/zinc/80/78/40/428807840.db2.gz	XQJMWISYYLCXBM-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C2CCC2)cc1	ZINC000362873842	428811004	/nfs/dbraw/zinc/81/10/04/428811004.db2.gz	KACRZKBIPWKRBW-CYBMUJFWSA-N	0	3	321.442	2.560	20	30		DFEDHN
CCOC(=O)C[C@H]1C[C@H](OC)CN1CCC1(C#N)CCCCC1	ZINC000411562634	428817520	/nfs/dbraw/zinc/81/75/20/428817520.db2.gz	SSTOHWOWDVKOET-CVEARBPZSA-N	0	3	322.449	2.893	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCSC[C@@H]1CCO	ZINC000362958870	428824553	/nfs/dbraw/zinc/82/45/53/428824553.db2.gz	SUQUCIZKIKVUSD-HNNXBMFYSA-N	0	3	304.459	2.788	20	30		DFEDHN
CCCN(CCCC1(C#N)CCOCC1)[C@@H](C)C(=O)OCC	ZINC000411653462	428833530	/nfs/dbraw/zinc/83/35/30/428833530.db2.gz	WKPZVWIUABMEEV-HNNXBMFYSA-N	0	3	310.438	2.751	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000363352829	428908248	/nfs/dbraw/zinc/90/82/48/428908248.db2.gz	PMXAZZPOCSVUQQ-XYJFISCASA-N	0	3	313.445	2.608	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCOC2(CCOCC2)CC1	ZINC000375547327	428909869	/nfs/dbraw/zinc/90/98/69/428909869.db2.gz	ZRJLCRKFINFMDO-HNNXBMFYSA-N	0	3	300.402	2.891	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OCC)cc2F)CC1	ZINC000417454365	428867336	/nfs/dbraw/zinc/86/73/36/428867336.db2.gz	RMHIJNVFCSVUCK-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2ccncc2C#N)CC1	ZINC000375389952	428868714	/nfs/dbraw/zinc/86/87/14/428868714.db2.gz	ICIGYTMIPLXMBE-UHFFFAOYSA-N	0	3	306.413	2.760	20	30		DFEDHN
C=CCC[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1	ZINC000417907184	428873887	/nfs/dbraw/zinc/87/38/87/428873887.db2.gz	DOQIWAQUKVVLNM-LSDHHAIUSA-N	0	3	323.387	2.990	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC[C@@H](n3cccn3)C2)cc1	ZINC000363198146	428878617	/nfs/dbraw/zinc/87/86/17/428878617.db2.gz	ABNNMFKXSNVIJK-QGZVFWFLSA-N	0	3	310.401	2.861	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@H](N3CCCC3)[C@@H]2C)c1C#N	ZINC000286259199	274663201	/nfs/dbraw/zinc/66/32/01/274663201.db2.gz	CTHKXEPMYYIETP-WFASDCNBSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000418219171	428901551	/nfs/dbraw/zinc/90/15/51/428901551.db2.gz	RZOIVRVIRFPBSR-JKSUJKDBSA-N	0	3	301.434	2.725	20	30		DFEDHN
C=CCN(CC)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000363442742	428917636	/nfs/dbraw/zinc/91/76/36/428917636.db2.gz	VFDOHTBHGAJCKT-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
COc1cc(CN[C@H]2C[C@@H](CO)c3ccccc32)ccc1C#N	ZINC000375606262	428922878	/nfs/dbraw/zinc/92/28/78/428922878.db2.gz	HJHDHRSMULQUFE-YJBOKZPZSA-N	0	3	308.381	2.877	20	30		DFEDHN
COc1cc(CN[C@@H]2C[C@@H](CO)c3ccccc32)ccc1C#N	ZINC000375606260	428923839	/nfs/dbraw/zinc/92/38/39/428923839.db2.gz	HJHDHRSMULQUFE-MAUKXSAKSA-N	0	3	308.381	2.877	20	30		DFEDHN
Cn1c(Cl)cnc1CN1CCCN(CCC(C)(C)C#N)CC1	ZINC000363466069	428923966	/nfs/dbraw/zinc/92/39/66/428923966.db2.gz	BFNKDSCQJMPBDQ-UHFFFAOYSA-N	0	3	323.872	2.521	20	30		DFEDHN
Cc1nc([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)n[nH]1	ZINC000412044446	428924565	/nfs/dbraw/zinc/92/45/65/428924565.db2.gz	QNVQZYHHOSFKGR-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1n[nH]c([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)n1	ZINC000412044446	428924568	/nfs/dbraw/zinc/92/45/68/428924568.db2.gz	QNVQZYHHOSFKGR-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1nnc([C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)[nH]1	ZINC000412044446	428924573	/nfs/dbraw/zinc/92/45/73/428924573.db2.gz	QNVQZYHHOSFKGR-AWEZNQCLSA-N	0	3	300.793	2.608	20	30		DFEDHN
COCCCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000419393492	428932501	/nfs/dbraw/zinc/93/25/01/428932501.db2.gz	UNXYZDVTTAXTTH-UPTPFMHGSA-N	0	3	323.481	2.664	20	30		DFEDHN
N#CC1(F)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1	ZINC000359354718	428936233	/nfs/dbraw/zinc/93/62/33/428936233.db2.gz	XWAAXMMRFCODCK-HNNXBMFYSA-N	0	3	307.413	2.638	20	30		DFEDHN
COc1ccc(CN2CCC3(CCOCC3)[C@H]2C)cc1C#N	ZINC000349203913	428939481	/nfs/dbraw/zinc/93/94/81/428939481.db2.gz	TWMXJSLCRIAEAQ-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CCN1	ZINC000420191927	428948278	/nfs/dbraw/zinc/94/82/78/428948278.db2.gz	HUZFSRKYBPHWLT-SNVBAGLBSA-N	0	3	318.327	2.506	20	30		DFEDHN
CC(C)[C@H](CNc1cncc(C#N)n1)N1CCc2ccccc2C1	ZINC000420580754	428957245	/nfs/dbraw/zinc/95/72/45/428957245.db2.gz	DDAMDNLSUCJTJA-SFHVURJKSA-N	0	3	321.428	2.843	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCCN(CC3CCC3)CC2)CC12CCCC2	ZINC000412320635	429017413	/nfs/dbraw/zinc/01/74/13/429017413.db2.gz	WQXWDUYZLYOSQO-IBGZPJMESA-N	0	3	315.461	2.795	20	30		DFEDHN
CCc1noc(C)c1CNC(=O)C(C#N)CCc1ccccc1	ZINC000354905898	429020441	/nfs/dbraw/zinc/02/04/41/429020441.db2.gz	ZXEFMNMPEGYUHL-OAHLLOKOSA-N	0	3	311.385	2.934	20	30		DFEDHN
N#Cc1cnccc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000363700555	428972604	/nfs/dbraw/zinc/97/26/04/428972604.db2.gz	KOVPVZRVSWYKEQ-QFBILLFUSA-N	0	3	304.397	2.664	20	30		DFEDHN
C[C@@H](NC[C@@H]1CNC(=O)O1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000363721872	428977400	/nfs/dbraw/zinc/97/74/00/428977400.db2.gz	WIXFOVNESCOAJD-FZKQIMNGSA-N	0	3	321.380	2.984	20	30		DFEDHN
C=CCC[C@@H](O)CN1Cc2ccc(OC)cc2OC(C)(C)C1	ZINC000421044264	428979424	/nfs/dbraw/zinc/97/94/24/428979424.db2.gz	SHSZDNCFKJERLA-OAHLLOKOSA-N	0	3	305.418	2.995	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccnc1	ZINC000349429583	428986995	/nfs/dbraw/zinc/98/69/95/428986995.db2.gz	QVLYOBLUADEJPT-CXAGYDPISA-N	0	3	304.353	2.513	20	30		DFEDHN
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354471800	428990112	/nfs/dbraw/zinc/99/01/12/428990112.db2.gz	UFPMMALJJWLKQH-BYCMXARLSA-N	0	3	320.352	2.561	20	30		DFEDHN
C[C@H]1C[C@@H](CO)CN(Cc2cccc(OCCCC#N)c2)C1	ZINC000421366445	428992071	/nfs/dbraw/zinc/99/20/71/428992071.db2.gz	VKFKBXNAFGRVRR-DOTOQJQBSA-N	0	3	302.418	2.819	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@H](C)C1)C(C)C	ZINC000354665409	429004766	/nfs/dbraw/zinc/00/47/66/429004766.db2.gz	QRXDVSAPUOPBKY-YESZJQIVSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CC[C@@H](CC)N[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000354814696	429011670	/nfs/dbraw/zinc/01/16/70/429011670.db2.gz	ZPDZKZZAAGGHSD-CHWSQXEVSA-N	0	3	311.223	2.920	20	30		DFEDHN
C[C@](CO)(NCCOCCC#N)c1cc(Cl)cc(Cl)c1	ZINC000451901832	429014041	/nfs/dbraw/zinc/01/40/41/429014041.db2.gz	BTYGKJKHXOLVHJ-CQSZACIVSA-N	0	3	317.216	2.721	20	30		DFEDHN
CCCN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCc2ccccc2C1	ZINC000424106376	429091769	/nfs/dbraw/zinc/09/17/69/429091769.db2.gz	SIATVVDIAYJWDW-ROUUACIJSA-N	0	3	313.445	2.804	20	30		DFEDHN
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424122148	429094768	/nfs/dbraw/zinc/09/47/68/429094768.db2.gz	IOTXGWPZYUBCRK-DLBZAZTESA-N	0	3	301.434	2.796	20	30		DFEDHN
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H](N)CCCC#N)C1	ZINC000424125957	429095323	/nfs/dbraw/zinc/09/53/23/429095323.db2.gz	OJSOGFQMRUJOBN-DAXOMENPSA-N	0	3	303.381	2.756	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	ZINC000424132612	429095782	/nfs/dbraw/zinc/09/57/82/429095782.db2.gz	WJNWRDIPNVIRLW-VXGBXAGGSA-N	0	3	317.286	2.566	20	30		DFEDHN
C=CCC1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CCC1	ZINC000355333006	429039663	/nfs/dbraw/zinc/03/96/63/429039663.db2.gz	GQSPXBJFDXUOPD-KRWDZBQOSA-N	0	3	314.429	2.938	20	30		DFEDHN
CCCc1cccc(CN2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000376014474	429040990	/nfs/dbraw/zinc/04/09/90/429040990.db2.gz	NEGKJZLAVZURSB-UHFFFAOYSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=C(C)COCCNC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000355371017	429042296	/nfs/dbraw/zinc/04/22/96/429042296.db2.gz	OMTNOXOJHOLQLH-UHFFFAOYSA-N	0	3	316.445	2.608	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)C12CCCCC2	ZINC000424134213	429097226	/nfs/dbraw/zinc/09/72/26/429097226.db2.gz	YBZZVBNBJPQJCY-ARFHVFGLSA-N	0	3	321.465	2.594	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1C#N	ZINC000376202497	429075890	/nfs/dbraw/zinc/07/58/90/429075890.db2.gz	ASAIIOZYRPDSFY-MRXNPFEDSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCC12CC3CC(CC(C3)C1)C2	ZINC000424071698	429086735	/nfs/dbraw/zinc/08/67/35/429086735.db2.gz	BVRZPTVRQGNFHJ-KUNBBXKYSA-N	0	3	303.450	2.730	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1C=C)C(C)C	ZINC000424492112	429144427	/nfs/dbraw/zinc/14/44/27/429144427.db2.gz	HDWUIBWBNATRPN-SQNIBIBYSA-N	0	3	320.477	2.782	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1	ZINC000452983076	429144525	/nfs/dbraw/zinc/14/45/25/429144525.db2.gz	YYCVQCDKVMTONX-HIFRSBDPSA-N	0	3	302.443	2.741	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)c1cc(C(F)(F)F)cnc1C#N	ZINC000413136282	429146055	/nfs/dbraw/zinc/14/60/55/429146055.db2.gz	HDCBWWUVWDQBNG-LLVKDONJSA-N	0	3	312.339	2.750	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453369228	429146696	/nfs/dbraw/zinc/14/66/96/429146696.db2.gz	SUKZKGVQEVSXKH-GOEBONIOSA-N	0	3	302.418	2.791	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000424510895	429148724	/nfs/dbraw/zinc/14/87/24/429148724.db2.gz	UPLUITKDUUQHIQ-VSZNYVQBSA-N	0	3	314.429	2.529	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1	ZINC000453360447	429148776	/nfs/dbraw/zinc/14/87/76/429148776.db2.gz	OBEFJAATPRMCOO-UYTYNIKBSA-N	0	3	303.402	2.545	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCOCC1	ZINC000424532386	429148944	/nfs/dbraw/zinc/14/89/44/429148944.db2.gz	JTKKRGOUKXZPKU-QGZVFWFLSA-N	0	3	316.445	2.778	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCCN(C(C)C)CC1	ZINC000453424671	429150963	/nfs/dbraw/zinc/15/09/63/429150963.db2.gz	JJWQZSMVCHUGBO-UHFFFAOYSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453431878	429151339	/nfs/dbraw/zinc/15/13/39/429151339.db2.gz	FHAZAHHWZIZRSD-HNNXBMFYSA-N	0	3	305.470	2.582	20	30		DFEDHN
CCc1nc(C)c([C@H](C)N(C)C(=O)[C@H](N)CCCC#N)s1	ZINC000424146713	429099274	/nfs/dbraw/zinc/09/92/74/429099274.db2.gz	QDISELPDLQFQNM-NWDGAFQWSA-N	0	3	308.451	2.555	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1	ZINC000424152685	429101251	/nfs/dbraw/zinc/10/12/51/429101251.db2.gz	IUWMTEBELDIXQA-CYBMUJFWSA-N	0	3	311.389	2.790	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000424152685	429101254	/nfs/dbraw/zinc/10/12/54/429101254.db2.gz	IUWMTEBELDIXQA-CYBMUJFWSA-N	0	3	311.389	2.790	20	30		DFEDHN
Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](N)CCCC#N	ZINC000424165516	429102896	/nfs/dbraw/zinc/10/28/96/429102896.db2.gz	DVJUITLYXOUFKP-ZDUSSCGKSA-N	0	3	313.323	2.651	20	30		DFEDHN
CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)CCC2	ZINC000424176749	429104345	/nfs/dbraw/zinc/10/43/45/429104345.db2.gz	SPCFYOLPDPUMMB-AAEUAGOBSA-N	0	3	320.462	2.562	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@@H](N)CCCC#N)[C@H]2C	ZINC000424184209	429106237	/nfs/dbraw/zinc/10/62/37/429106237.db2.gz	CSXXDEKMZOMYBP-DCGLDWPTSA-N	0	3	315.417	2.551	20	30		DFEDHN
CC[C@H](CSc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424177934	429107007	/nfs/dbraw/zinc/10/70/07/429107007.db2.gz	VMJWZTILULWRHY-HIFRSBDPSA-N	0	3	305.447	2.695	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccncc2)n1	ZINC000424191404	429109199	/nfs/dbraw/zinc/10/91/99/429109199.db2.gz	HJFBDDMKMKMRBN-WMLDXEAASA-N	0	3	320.400	2.641	20	30		DFEDHN
C=CCn1cc(CN[C@H](Cc2cccc(OC)c2)C2CC2)nn1	ZINC000424290916	429121567	/nfs/dbraw/zinc/12/15/67/429121567.db2.gz	CMZDKGRAIFSWCK-GOSISDBHSA-N	0	3	312.417	2.584	20	30		DFEDHN
CCS(=O)(=O)Nc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424324887	429127122	/nfs/dbraw/zinc/12/71/22/429127122.db2.gz	KJHQZYCMWNUHLQ-DVOMOZLQSA-N	0	3	321.446	2.791	20	30		DFEDHN
Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424331703	429128736	/nfs/dbraw/zinc/12/87/36/429128736.db2.gz	SGLSZIYTZWQIDM-JQHSSLGASA-N	0	3	309.417	3.000	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cscc1C#N	ZINC000452771874	429138517	/nfs/dbraw/zinc/13/85/17/429138517.db2.gz	IVWIZQXXVMUGHB-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCC2(F)F)cc1	ZINC000452834239	429139813	/nfs/dbraw/zinc/13/98/13/429139813.db2.gz	WQJQTJRCTIWEFG-LSDHHAIUSA-N	0	3	317.339	2.792	20	30		DFEDHN
C=C(C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000454531809	429166738	/nfs/dbraw/zinc/16/67/38/429166738.db2.gz	YVJWMSOPASKRNA-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)CC1	ZINC000454534326	429167422	/nfs/dbraw/zinc/16/74/22/429167422.db2.gz	DXUJVGCAAYRYSN-HZPDHXFCSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000454802314	429172229	/nfs/dbraw/zinc/17/22/29/429172229.db2.gz	NNPRMISXUQHLEN-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000487917516	429173971	/nfs/dbraw/zinc/17/39/71/429173971.db2.gz	TZEJCFYMJLFRES-UHFFFAOYSA-N	0	3	301.386	2.929	20	30		DFEDHN
C=CCn1cccc1C(=O)NCCCN(C)Cc1ccccc1	ZINC000488563127	429184207	/nfs/dbraw/zinc/18/42/07/429184207.db2.gz	OJLGPOFNKCBLPH-UHFFFAOYSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488722051	429190744	/nfs/dbraw/zinc/19/07/44/429190744.db2.gz	NGBKVJSXHIAYBC-ZENOOKHLSA-N	0	3	314.389	2.633	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1	ZINC000274052775	275379993	/nfs/dbraw/zinc/37/99/93/275379993.db2.gz	CIMZTRNOOMBMOL-SFHVURJKSA-N	0	3	311.429	2.631	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1N(C)C	ZINC000439443225	429219570	/nfs/dbraw/zinc/21/95/70/429219570.db2.gz	AITXJPGCGJJFLO-GJZGRUSLSA-N	0	3	309.866	2.689	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(CC#N)c1	ZINC000455908864	429224284	/nfs/dbraw/zinc/22/42/84/429224284.db2.gz	RMHJTEYAZBLGHE-INIZCTEOSA-N	0	3	314.433	2.995	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455922949	429225115	/nfs/dbraw/zinc/22/51/15/429225115.db2.gz	RSNQBJCBAQVFRD-UHFFFAOYSA-N	0	3	300.406	2.701	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000440596682	429226599	/nfs/dbraw/zinc/22/65/99/429226599.db2.gz	KLHGNTQYXWDZHZ-QGZVFWFLSA-N	0	3	323.400	2.837	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCOC2)C1	ZINC000441285026	429229219	/nfs/dbraw/zinc/22/92/19/429229219.db2.gz	LOAFPYBIRSGPKZ-GVDBMIGSSA-N	0	3	308.466	2.548	20	30		DFEDHN
C[C@@H]1[C@@H](CO)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000488765213	429197747	/nfs/dbraw/zinc/19/77/47/429197747.db2.gz	SNLWNTHEJDHHRW-TZMCWYRMSA-N	0	3	313.319	2.639	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000488882873	429203839	/nfs/dbraw/zinc/20/38/39/429203839.db2.gz	XYDTWQBLVFVFMO-MRXNPFEDSA-N	0	3	301.434	2.765	20	30		DFEDHN
CN1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1cccnc1	ZINC000364609188	429233346	/nfs/dbraw/zinc/23/33/46/429233346.db2.gz	QFQVAXILNSTGAR-HKUYNNGSSA-N	0	3	317.396	2.930	20	30		DFEDHN
CN(C)CCN(C(=O)NCC1CCC(C#N)CC1)C1CCCC1	ZINC000442720160	429234832	/nfs/dbraw/zinc/23/48/32/429234832.db2.gz	KHTXCKXBHBCSRD-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(Oc3ccccc3F)CC2)CC1	ZINC000442732857	429234897	/nfs/dbraw/zinc/23/48/97/429234897.db2.gz	OBIMRKNBGGSBJJ-UHFFFAOYSA-N	0	3	318.392	2.504	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2	ZINC000489408969	429238618	/nfs/dbraw/zinc/23/86/18/429238618.db2.gz	RYQGTTJXYMDWNJ-CQSZACIVSA-N	0	3	302.374	2.784	20	30		DFEDHN
CCN1CCN(Cc2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)CC1	ZINC000442870472	429238960	/nfs/dbraw/zinc/23/89/60/429238960.db2.gz	DAULZFRXKGCPGY-HKUYNNGSSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(OCC)cc1	ZINC000489431147	429239799	/nfs/dbraw/zinc/23/97/99/429239799.db2.gz	PRFDCOLGJCGLQF-CVEARBPZSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCC(=O)NC(=O)Nc1ccccc1	ZINC000489460130	429243991	/nfs/dbraw/zinc/24/39/91/429243991.db2.gz	GQXGSJCZHRPNTQ-OAHLLOKOSA-N	0	3	301.390	2.765	20	30		DFEDHN
C=C(C)CN1CCC(Nc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000425222687	429247782	/nfs/dbraw/zinc/24/77/82/429247782.db2.gz	ITDWFVGOWXYJCI-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1	ZINC000495727634	429254061	/nfs/dbraw/zinc/25/40/61/429254061.db2.gz	JZZXSRUBRYYTJV-SOUVJXGZSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000425270745	429254104	/nfs/dbraw/zinc/25/41/04/429254104.db2.gz	UEOUSSJFCFOFJW-ZENOOKHLSA-N	0	3	314.389	2.633	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1	ZINC000495727633	429254269	/nfs/dbraw/zinc/25/42/69/429254269.db2.gz	JZZXSRUBRYYTJV-QLFBSQMISA-N	0	3	307.438	2.915	20	30		DFEDHN
Cc1cc(CNCCNC(=O)c2ccccc2F)ccc1C#N	ZINC000443986951	429260468	/nfs/dbraw/zinc/26/04/68/429260468.db2.gz	GPSCAGKDYVELCV-UHFFFAOYSA-N	0	3	311.360	2.525	20	30		DFEDHN
C=C(C)CCN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495799524	429267355	/nfs/dbraw/zinc/26/73/55/429267355.db2.gz	HQLNCJYLNDVLPH-LSDHHAIUSA-N	0	3	310.438	2.663	20	30		DFEDHN
CC(C)(C)[C@H](CO)NCc1cc(C#N)ccc1Br	ZINC000444713988	429275388	/nfs/dbraw/zinc/27/53/88/429275388.db2.gz	IMAICJGYOSBWTB-ZDUSSCGKSA-N	0	3	311.223	2.817	20	30		DFEDHN
C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425361613	429279232	/nfs/dbraw/zinc/27/92/32/429279232.db2.gz	ZOONRABOHDEOSE-CHWSQXEVSA-N	0	3	306.406	2.833	20	30		DFEDHN
Cc1ncccc1O[C@H]1CCN(CCOc2ccc(C#N)cc2)C1	ZINC000365227109	429282125	/nfs/dbraw/zinc/28/21/25/429282125.db2.gz	RHAWEKXZMBXHSE-SFHVURJKSA-N	0	3	323.396	2.794	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)Cc1cccc(C)c1	ZINC000448904897	429320172	/nfs/dbraw/zinc/32/01/72/429320172.db2.gz	VRZJNRSHVBCQLT-UHFFFAOYSA-N	0	3	324.428	2.707	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC[C@@H]2CCCCN2CC)cc1	ZINC000448958367	429321847	/nfs/dbraw/zinc/32/18/47/429321847.db2.gz	WZUIWIOEQROKBT-KRWDZBQOSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H]2CCCN2CCOC)CCCCC1	ZINC000448915305	429322364	/nfs/dbraw/zinc/32/23/64/429322364.db2.gz	ZLHCMBXKVBKDRR-MRXNPFEDSA-N	0	3	308.466	2.740	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000491096229	429324066	/nfs/dbraw/zinc/32/40/66/429324066.db2.gz	QKWRSZWEFJNJEW-HOCLYGCPSA-N	0	3	320.383	2.624	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000491127331	429327280	/nfs/dbraw/zinc/32/72/80/429327280.db2.gz	WIAFQPACCNDGJX-YNEHKIRRSA-N	0	3	318.383	2.813	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1Oc1ccncc1	ZINC000491267226	429341083	/nfs/dbraw/zinc/34/10/83/429341083.db2.gz	SFIXAYBWAWHUDB-UHFFFAOYSA-N	0	3	323.396	2.559	20	30		DFEDHN
CNC(=O)COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000507255240	429348162	/nfs/dbraw/zinc/34/81/62/429348162.db2.gz	ZETLXWQKQOBMIV-CQSZACIVSA-N	0	3	323.396	2.534	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(Cl)cc1	ZINC000491303812	429345214	/nfs/dbraw/zinc/34/52/14/429345214.db2.gz	CJZRRUWLWPOZRO-JKSUJKDBSA-N	0	3	319.836	2.750	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc(Cl)cc1	ZINC000491303810	429345927	/nfs/dbraw/zinc/34/59/27/429345927.db2.gz	CJZRRUWLWPOZRO-HOTGVXAUSA-N	0	3	319.836	2.750	20	30		DFEDHN
CC(C)[C@@H](CC(F)(F)F)NCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000445897178	429292067	/nfs/dbraw/zinc/29/20/67/429292067.db2.gz	MWCUPCXXOCAXRV-YPMHNXCESA-N	0	3	307.360	2.607	20	30		DFEDHN
C#CCN(CC)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000490649021	429297610	/nfs/dbraw/zinc/29/76/10/429297610.db2.gz	DHOZMNPQIQLLAE-INIZCTEOSA-N	0	3	313.445	2.877	20	30		DFEDHN
C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)C1CC1	ZINC000425461847	429302089	/nfs/dbraw/zinc/30/20/89/429302089.db2.gz	CSAYZBBUFJSHDJ-ZIAGYGMSSA-N	0	3	314.433	2.743	20	30		DFEDHN
C=CCN(CCOC)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000496036937	429303903	/nfs/dbraw/zinc/30/39/03/429303903.db2.gz	SFMGCYOSAOKAFW-OAHLLOKOSA-N	0	3	312.454	2.768	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)c2nccn21	ZINC000456440263	429307860	/nfs/dbraw/zinc/30/78/60/429307860.db2.gz	YKIDWXVUKCWEOQ-VNQPRFMTSA-N	0	3	308.385	2.778	20	30		DFEDHN
N#CCC[C@H](C#N)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425499057	429310601	/nfs/dbraw/zinc/31/06/01/429310601.db2.gz	IBRBTFARAYDHDG-CEXWTWQISA-N	0	3	308.429	2.636	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1(N(C)C)CCC1	ZINC000425515410	429313896	/nfs/dbraw/zinc/31/38/96/429313896.db2.gz	WVIVRIJYPSUIKY-AWEZNQCLSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccsc1	ZINC000448694665	429315791	/nfs/dbraw/zinc/31/57/91/429315791.db2.gz	OTPAWLKWRMTGQR-JGGQBBKZSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)COCc1ccco1	ZINC000425536616	429317259	/nfs/dbraw/zinc/31/72/59/429317259.db2.gz	IXTNVMNUDTUEKS-PBHICJAKSA-N	0	3	314.385	2.722	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1	ZINC000448773811	429317337	/nfs/dbraw/zinc/31/73/37/429317337.db2.gz	WLADYRPAGSQXCM-QAPCUYQASA-N	0	3	303.450	2.651	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCCC1(C)C	ZINC000457070452	429391077	/nfs/dbraw/zinc/39/10/77/429391077.db2.gz	GPFHRWLMYMVAIP-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C#C[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000491727181	429397832	/nfs/dbraw/zinc/39/78/32/429397832.db2.gz	LFWZTOYAKIFQAX-DOMZBBRYSA-N	0	3	303.362	2.559	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@](C)(Cc2ccccc2)C2CC2)CC1	ZINC000491741232	429400424	/nfs/dbraw/zinc/40/04/24/429400424.db2.gz	ZABZTBHAMIVHQM-NRFANRHFSA-N	0	3	324.468	2.859	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](COc1ccccc1)c1ccccc1	ZINC000491752952	429403238	/nfs/dbraw/zinc/40/32/38/429403238.db2.gz	XOFSRTBOVPNOBT-LJQANCHMSA-N	0	3	322.408	2.536	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000491754442	429403767	/nfs/dbraw/zinc/40/37/67/429403767.db2.gz	SUAPCQFBQOOKLQ-NVXWUHKLSA-N	0	3	316.470	2.522	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2cccc(SCC#N)c2)C1	ZINC000457108906	429404477	/nfs/dbraw/zinc/40/44/77/429404477.db2.gz	GLKRQNUYXIVCTD-HNNXBMFYSA-N	0	3	317.458	2.857	20	30		DFEDHN
C#CCNC(=O)CCNC(C)(C)c1ccc(Cl)c(Cl)c1	ZINC000491771890	429406061	/nfs/dbraw/zinc/40/60/61/429406061.db2.gz	RQMSSXQTZMXGSD-UHFFFAOYSA-N	0	3	313.228	2.958	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000365985596	429408239	/nfs/dbraw/zinc/40/82/39/429408239.db2.gz	KZMQEJHEFOGLJL-KRWDZBQOSA-N	0	3	313.445	2.955	20	30		DFEDHN
C=CCC[C@@H](CO)NC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000456780507	429349151	/nfs/dbraw/zinc/34/91/51/429349151.db2.gz	QUEUUOMHMILXMB-KRWDZBQOSA-N	0	3	316.445	2.728	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000491350702	429350844	/nfs/dbraw/zinc/35/08/44/429350844.db2.gz	PMDQJEMYUFNYMW-HIFRSBDPSA-N	0	3	307.463	2.794	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@@H]2CCc3c[nH]nc3C2)cc1	ZINC000365735481	429366327	/nfs/dbraw/zinc/36/63/27/429366327.db2.gz	LIHRNUSIVAKOPS-WBVHZDCISA-N	0	3	310.401	2.910	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000456980465	429372179	/nfs/dbraw/zinc/37/21/79/429372179.db2.gz	ORRUHNAPRVVPAT-GVDBMIGSSA-N	0	3	300.402	2.833	20	30		DFEDHN
C#C[C@@H](C)N(C)C[C@@H](O)COc1c(Cl)cccc1Cl	ZINC000491538373	429372883	/nfs/dbraw/zinc/37/28/83/429372883.db2.gz	YOMJRXKZSHTWDN-GHMZBOCLSA-N	0	3	302.201	2.687	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@](CO)(c2ccccc2)C1	ZINC000365798238	429374321	/nfs/dbraw/zinc/37/43/21/429374321.db2.gz	JNTJVXZOLUQTOO-FQEVSTJZSA-N	0	3	322.408	2.703	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3ccnc(C#N)n3)CC2)CC1	ZINC000515073226	429374773	/nfs/dbraw/zinc/37/47/73/429374773.db2.gz	NVPNWDILJBETNE-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000491647461	429384761	/nfs/dbraw/zinc/38/47/61/429384761.db2.gz	XNGGFSIALOWUPK-INIZCTEOSA-N	0	3	313.445	2.836	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN(C)C1	ZINC000517088867	429386893	/nfs/dbraw/zinc/38/68/93/429386893.db2.gz	RGHCWJFDSHWCTQ-MSOLQXFVSA-N	0	3	315.461	2.815	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000491668496	429389124	/nfs/dbraw/zinc/38/91/24/429389124.db2.gz	YQEWLOTTZBUJLZ-XYJFISCASA-N	0	3	313.445	2.703	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCOC)c(OC)c1	ZINC000449547666	429447309	/nfs/dbraw/zinc/44/73/09/429447309.db2.gz	JJVMTWACCAFNKY-CVEARBPZSA-N	0	3	321.417	2.544	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000519194019	429451855	/nfs/dbraw/zinc/45/18/55/429451855.db2.gz	LVKWCVMNKNAETF-IAGOWNOFSA-N	0	3	312.417	2.889	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(CN(C)C)cc1	ZINC000457410739	429459060	/nfs/dbraw/zinc/45/90/60/429459060.db2.gz	XDCJWQWCCPSTHX-QZTJIDSGSA-N	0	3	316.445	2.736	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccc(CC)cc2)CC1	ZINC000492057577	429460547	/nfs/dbraw/zinc/46/05/47/429460547.db2.gz	MBAOAWYLLDSVDF-KHPPLWFESA-N	0	3	310.441	2.866	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C1CCC1	ZINC000492065244	429460704	/nfs/dbraw/zinc/46/07/04/429460704.db2.gz	HJIOINJFKSATGP-MDZDMXLPSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1	ZINC000457440708	429466137	/nfs/dbraw/zinc/46/61/37/429466137.db2.gz	COVVHUVJYBMTTM-YYIAUSFCSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1	ZINC000457456244	429468081	/nfs/dbraw/zinc/46/80/81/429468081.db2.gz	BCKLEJZFUFCGHI-YYIAUSFCSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)CN1CCC[C@H](C)C1	ZINC000457456243	429468778	/nfs/dbraw/zinc/46/87/78/429468778.db2.gz	BCKLEJZFUFCGHI-YLFCFFPRSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1cccnc1)C(C)C	ZINC000491826827	429416190	/nfs/dbraw/zinc/41/61/90/429416190.db2.gz	BTVDFVCHXPPCDN-LPADLIQXSA-N	0	3	313.445	2.910	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000457794729	429529177	/nfs/dbraw/zinc/52/91/77/429529177.db2.gz	AOGTULLEFYFYMJ-CGTJXYLNSA-N	0	3	320.477	2.691	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)NC2CC(N3CCCCC3)C2)c(F)c1	ZINC000366565663	429477908	/nfs/dbraw/zinc/47/79/08/429477908.db2.gz	FVWXTJSKNUYUQM-UHFFFAOYSA-N	0	3	319.355	2.583	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)CN1CCC(C)(C)C1	ZINC000519698674	429479359	/nfs/dbraw/zinc/47/93/59/429479359.db2.gz	CQWVQGVKJZASQH-UHFFFAOYSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCCC[C@@H]1CC	ZINC000457580576	429490670	/nfs/dbraw/zinc/49/06/70/429490670.db2.gz	OICPETOBQJSHAN-GVDBMIGSSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(CC)CNCc1ccccc1OCC(=O)NCC1CC1	ZINC000449737675	429493773	/nfs/dbraw/zinc/49/37/73/429493773.db2.gz	ZNXWIMDDEVOFPU-UHFFFAOYSA-N	0	3	302.418	2.647	20	30		DFEDHN
Cc1cc(C(=O)NC[C@H]2CCCCN2CC(C)C)ncc1C#N	ZINC000457665167	429502868	/nfs/dbraw/zinc/50/28/68/429502868.db2.gz	PPCQFISXKUXKGH-MRXNPFEDSA-N	0	3	314.433	2.502	20	30		DFEDHN
N#CCC1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1	ZINC000366764757	429510520	/nfs/dbraw/zinc/51/05/20/429510520.db2.gz	HLXCBVJNOBJYRB-UHFFFAOYSA-N	0	3	311.429	2.709	20	30		DFEDHN
Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ncc1C#N	ZINC000457725725	429516312	/nfs/dbraw/zinc/51/63/12/429516312.db2.gz	ZKGSTLHCFZXCLV-OAHLLOKOSA-N	0	3	322.412	2.512	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000366989463	429554578	/nfs/dbraw/zinc/55/45/78/429554578.db2.gz	KRGNCSNYVIRJLK-LJQANCHMSA-N	0	3	313.445	2.955	20	30		DFEDHN
C#C[C@@H](NC(=O)NC1CCN(Cc2cccs2)CC1)C(C)C	ZINC000366990872	429555237	/nfs/dbraw/zinc/55/52/37/429555237.db2.gz	QEYCDYODDLDUFY-MRXNPFEDSA-N	0	3	319.474	2.670	20	30		DFEDHN
CO[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C12CCC2	ZINC000458156198	429588219	/nfs/dbraw/zinc/58/82/19/429588219.db2.gz	CFWPIHGEVGGQII-YESZJQIVSA-N	0	3	312.413	2.833	20	30		DFEDHN
COc1cc(CN[C@@H]2CCCN(c3ccccn3)C2)ccc1C#N	ZINC000366922811	429540145	/nfs/dbraw/zinc/54/01/45/429540145.db2.gz	GXTCKYVJJJRZEO-QGZVFWFLSA-N	0	3	322.412	2.720	20	30		DFEDHN
Cc1cc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c(C#N)cn1	ZINC000521229123	429543732	/nfs/dbraw/zinc/54/37/32/429543732.db2.gz	WTJCVUNYVRVVIB-QAPCUYQASA-N	0	3	306.413	2.931	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@]2(C)C[C@H]2c2ccccc2)CC1	ZINC000458331113	429621537	/nfs/dbraw/zinc/62/15/37/429621537.db2.gz	IBXAFPFIQCHSBC-PKOBYXMFSA-N	0	3	313.445	2.882	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000492840896	429627225	/nfs/dbraw/zinc/62/72/25/429627225.db2.gz	OFUBBKIFHRCVQD-HPOZVTDMSA-N	0	3	323.440	2.760	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000492840899	429627868	/nfs/dbraw/zinc/62/78/68/429627868.db2.gz	OFUBBKIFHRCVQD-LAJBOSMKSA-N	0	3	323.440	2.760	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CC#N)N(C)Cc1ccccc1	ZINC000458383428	429631233	/nfs/dbraw/zinc/63/12/33/429631233.db2.gz	SMDPEEZKOJRHGM-HNNXBMFYSA-N	0	3	316.449	2.746	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1	ZINC000450539277	429643298	/nfs/dbraw/zinc/64/32/98/429643298.db2.gz	JLAHPFRYJICNSX-IOASZLSFSA-N	0	3	314.389	2.633	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H](C)C1	ZINC000450539279	429643875	/nfs/dbraw/zinc/64/38/75/429643875.db2.gz	JLAHPFRYJICNSX-XJKCOSOUSA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(C(=O)OC)CC1	ZINC000450298194	429594907	/nfs/dbraw/zinc/59/49/07/429594907.db2.gz	LTLCFWWHSWAVDI-UHFFFAOYSA-N	0	3	304.346	2.536	20	30		DFEDHN
Cc1nsc(Nc2cnn(CCN3CCCCC3)c2)c1C#N	ZINC000367455316	429651784	/nfs/dbraw/zinc/65/17/84/429651784.db2.gz	DTDUPSNVGFQLKU-UHFFFAOYSA-N	0	3	316.434	2.749	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000367213486	429597727	/nfs/dbraw/zinc/59/77/27/429597727.db2.gz	NZQLMZVGXBLOKB-CQSZACIVSA-N	0	3	301.438	2.958	20	30		DFEDHN
Cn1cc(CN2CCC3(CCO3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000367243292	429603649	/nfs/dbraw/zinc/60/36/49/429603649.db2.gz	IYRIAPKFMOEADY-UHFFFAOYSA-N	0	3	322.412	2.714	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]21)C(C)C	ZINC000523481424	429608389	/nfs/dbraw/zinc/60/83/89/429608389.db2.gz	YWXBTJOIZYLCLB-YESZJQIVSA-N	0	3	305.466	2.879	20	30		DFEDHN
C#CC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367533214	429666472	/nfs/dbraw/zinc/66/64/72/429666472.db2.gz	IXTNBAMMSIUIDR-GOEBONIOSA-N	0	3	320.383	2.672	20	30		DFEDHN
CC[C@@](C)(O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583629	429677991	/nfs/dbraw/zinc/67/79/91/429677991.db2.gz	DSNARUXSXGYAKH-QGZVFWFLSA-N	0	3	306.381	2.702	20	30		DFEDHN
CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000459770661	429702671	/nfs/dbraw/zinc/70/26/71/429702671.db2.gz	HSCPJXRFWMXBLM-VQISRLSMSA-N	0	3	321.808	2.696	20	30		DFEDHN
CC(C)C[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000468961602	429710133	/nfs/dbraw/zinc/71/01/33/429710133.db2.gz	MCUBMYOFPWKHCQ-GOSISDBHSA-N	0	3	313.445	2.933	20	30		DFEDHN
Cc1nn(C)c(N2CCN(CC3CCC(C)CC3)CC2)c1C#N	ZINC000471820035	429713272	/nfs/dbraw/zinc/71/32/72/429713272.db2.gz	FQNDBBUFXORVSZ-UHFFFAOYSA-N	0	3	315.465	2.549	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)/C=C\c1ccc(C#N)cc1	ZINC000493227583	429716966	/nfs/dbraw/zinc/71/69/66/429716966.db2.gz	HNCUEVIACKCEBY-KTKRTIGZSA-N	0	3	311.429	2.906	20	30		DFEDHN
CC#CCCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000483403339	429733777	/nfs/dbraw/zinc/73/37/77/429733777.db2.gz	IISDTCRJZWADPF-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000451272184	429800839	/nfs/dbraw/zinc/80/08/39/429800839.db2.gz	UMQRYNMKTNZNFC-RDTXWAMCSA-N	0	3	324.428	2.924	20	30		DFEDHN
COC[C@]1(NCc2ccc(C#N)s2)COc2ccccc2C1	ZINC000527802058	429801973	/nfs/dbraw/zinc/80/19/73/429801973.db2.gz	YRFFMMOXKDYUCQ-KRWDZBQOSA-N	0	3	314.410	2.730	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1	ZINC000451108249	429769972	/nfs/dbraw/zinc/76/99/72/429769972.db2.gz	AGXKEPLBSSJQRB-CHWSQXEVSA-N	0	3	315.417	2.615	20	30		DFEDHN
C#Cc1ccc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1	ZINC000368050664	429774482	/nfs/dbraw/zinc/77/44/82/429774482.db2.gz	GZTAHMDWHQWNKQ-HXUWFJFHSA-N	0	3	318.420	2.601	20	30		DFEDHN
N#CC1CCC(CNC(=O)NC[C@@H]2CCN2C2CCCC2)CC1	ZINC000527907268	429817472	/nfs/dbraw/zinc/81/74/72/429817472.db2.gz	VUFVFNWPQYSACT-DQPZFDDXSA-N	0	3	318.465	2.632	20	30		DFEDHN
N#Cc1ccc(-c2nnc(CN3CCCC34CCOCC4)o2)cc1	ZINC000368574340	429869155	/nfs/dbraw/zinc/86/91/55/429869155.db2.gz	YHLMBQDEMVCPJV-UHFFFAOYSA-N	0	3	324.384	2.753	20	30		DFEDHN
CCCCN(CC(=O)N(CC)CCC#N)[C@@H]1CCCC[C@H]1OC	ZINC000451647287	429866514	/nfs/dbraw/zinc/86/65/14/429866514.db2.gz	AIQPQGPGOHMPBD-IAGOWNOFSA-N	0	3	323.481	2.808	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1	ZINC000494365464	429867802	/nfs/dbraw/zinc/86/78/02/429867802.db2.gz	RORUCCIXKONYOR-ZDUSSCGKSA-N	0	3	323.437	2.642	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@@](CO)(C(C)C)C2)cc1	ZINC000368229856	429813974	/nfs/dbraw/zinc/81/39/74/429813974.db2.gz	XMTNXVWOHJDYHY-LJQANCHMSA-N	0	3	301.430	2.929	20	30		DFEDHN
O=C1c2ccccc2C(=O)N1CC#CCN(C1CC1)C1CCCC1	ZINC000528380721	429883170	/nfs/dbraw/zinc/88/31/70/429883170.db2.gz	LXDDUBMMNGQTBW-UHFFFAOYSA-N	0	3	322.408	2.693	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000368673414	429885781	/nfs/dbraw/zinc/88/57/81/429885781.db2.gz	SRORQVKZPGZBBD-HOTGVXAUSA-N	0	3	300.362	2.529	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3ccccc3n3cncc23)CC1	ZINC000623951706	429928536	/nfs/dbraw/zinc/92/85/36/429928536.db2.gz	WZWVBDHYZCQIRH-UHFFFAOYSA-N	0	3	321.428	3.335	20	30		DFEDHN
CC#CCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21	ZINC000368772827	429892934	/nfs/dbraw/zinc/89/29/34/429892934.db2.gz	AMSHONGQWIPCOM-OAHLLOKOSA-N	0	3	300.402	2.536	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@H]1CCCN1CCc1ccccc1	ZINC000368786759	429893314	/nfs/dbraw/zinc/89/33/14/429893314.db2.gz	YNKOCXGXMCKESN-GOSISDBHSA-N	0	3	312.457	2.859	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000369231061	429920883	/nfs/dbraw/zinc/92/08/83/429920883.db2.gz	KWYYPDDJWKLBSR-KRWDZBQOSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2cc(C)cn2)CC1	ZINC000369273514	429921819	/nfs/dbraw/zinc/92/18/19/429921819.db2.gz	HECVRLYBFQTXRH-INIZCTEOSA-N	0	3	318.465	2.642	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@@H]1CCN(C2CCOCC2)C1=O	ZINC000369301227	429923026	/nfs/dbraw/zinc/92/30/26/429923026.db2.gz	BCWIRPUELFSCRY-GOSISDBHSA-N	0	3	320.477	2.835	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(OC(C)(C)CC)C2)CC1	ZINC000636741140	429925473	/nfs/dbraw/zinc/92/54/73/429925473.db2.gz	DVRQWPORXZGRSL-UHFFFAOYSA-N	0	3	323.481	2.626	20	30		DFEDHN
Cc1nc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1C#N	ZINC000573130016	429927973	/nfs/dbraw/zinc/92/79/73/429927973.db2.gz	AFSAZVWRRALEIP-QGZVFWFLSA-N	0	3	322.412	2.815	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000494374034	429870226	/nfs/dbraw/zinc/87/02/26/429870226.db2.gz	HMBIXFQEBQCNDA-JJRVBVJISA-N	0	3	312.417	2.752	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccccc1	ZINC000451675295	429870626	/nfs/dbraw/zinc/87/06/26/429870626.db2.gz	CEEWHONMAMTQRY-UAGQMJEPSA-N	0	3	302.418	2.529	20	30		DFEDHN
COC(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1	ZINC000494420056	429872587	/nfs/dbraw/zinc/87/25/87/429872587.db2.gz	YELKTEAKPIXILG-MRXNPFEDSA-N	0	3	301.390	2.852	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000451696992	429872608	/nfs/dbraw/zinc/87/26/08/429872608.db2.gz	BRAQTYPFIXAFKF-AHRSYUTCSA-N	0	3	323.440	2.661	20	30		DFEDHN
CCN1CCCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000573646307	429967672	/nfs/dbraw/zinc/96/76/72/429967672.db2.gz	ROIQYXAQYSMROG-NSHDSACASA-N	0	3	312.339	3.258	20	30		DFEDHN
CCCCOC[C@@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21	ZINC000573199826	429933156	/nfs/dbraw/zinc/93/31/56/429933156.db2.gz	IBMSUGWSPAZZJK-FUHWJXTLSA-N	0	3	302.418	2.703	20	30		DFEDHN
CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528919585	429934106	/nfs/dbraw/zinc/93/41/06/429934106.db2.gz	PVGRSOOMQCETKV-IUODEOHRSA-N	0	3	322.368	2.951	20	30		DFEDHN
N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528920786	429934386	/nfs/dbraw/zinc/93/43/86/429934386.db2.gz	OPLYTCZQONYHIX-ARFHVFGLSA-N	0	3	324.405	2.877	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CC3CCC2CC3)CC1	ZINC000573319568	429943330	/nfs/dbraw/zinc/94/33/30/429943330.db2.gz	RANKLPDFBBESDJ-UYSNPLJNSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C[C@H]2CCOC2)C1	ZINC000369426050	429943880	/nfs/dbraw/zinc/94/38/80/429943880.db2.gz	LISLLAHVXGWAPB-OKZBNKHCSA-N	0	3	322.493	2.938	20	30		DFEDHN
C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000528995728	429946326	/nfs/dbraw/zinc/94/63/26/429946326.db2.gz	JLNWBYPJJFANGE-STECZYCISA-N	0	3	310.397	2.646	20	30		DFEDHN
N#CC(C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccncn1	ZINC000528988259	429946748	/nfs/dbraw/zinc/94/67/48/429946748.db2.gz	VCHHBZDLXLOGJS-GXTWGEPZSA-N	0	3	315.279	2.753	20	30		DFEDHN
N#CC(C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)c1ccncn1	ZINC000528988295	429947078	/nfs/dbraw/zinc/94/70/78/429947078.db2.gz	VCHHBZDLXLOGJS-TZMCWYRMSA-N	0	3	315.279	2.753	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H]2[C@H]2CCCN2C)c1C#N	ZINC000369461336	429948724	/nfs/dbraw/zinc/94/87/24/429948724.db2.gz	BCIPGHUIJDFCGK-HUUCEWRRSA-N	0	3	304.825	2.978	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H]2[C@@H]2CCCN2C)c1C#N	ZINC000369461337	429950010	/nfs/dbraw/zinc/95/00/10/429950010.db2.gz	BCIPGHUIJDFCGK-LSDHHAIUSA-N	0	3	304.825	2.978	20	30		DFEDHN
CC(C)C(CN1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C	ZINC000560261293	430028153	/nfs/dbraw/zinc/02/81/53/430028153.db2.gz	LMFCQBSIFDQBMU-OAHLLOKOSA-N	0	3	315.465	2.787	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000529573029	430032925	/nfs/dbraw/zinc/03/29/25/430032925.db2.gz	DPHMCMASXABTIG-ZJPYXAASSA-N	0	3	307.397	2.793	20	30		DFEDHN
N#CCc1ccnc(NC(=O)c2ccc(CN3CCCC3)cc2)c1	ZINC000558830066	429991919	/nfs/dbraw/zinc/99/19/19/429991919.db2.gz	DFMJVSIMGNKXJD-UHFFFAOYSA-N	0	3	320.396	2.996	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCC(=O)NC23CCC3)c(Cl)c1	ZINC000558894205	429993268	/nfs/dbraw/zinc/99/32/68/429993268.db2.gz	ASFLBDBFPPLVCO-AWEZNQCLSA-N	0	3	303.793	2.503	20	30		DFEDHN
C=CCC1(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CCOCC1	ZINC000574087878	430010567	/nfs/dbraw/zinc/01/05/67/430010567.db2.gz	VKCPNCSKLUTZAU-HNNXBMFYSA-N	0	3	308.466	2.548	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@H]1c1ccccc1	ZINC000574135967	430012423	/nfs/dbraw/zinc/01/24/23/430012423.db2.gz	GRCPBCGLCZAKAY-IRXDYDNUSA-N	0	3	311.429	2.817	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1	ZINC000639916533	430020284	/nfs/dbraw/zinc/02/02/84/430020284.db2.gz	NXLJVJRDCFQAGX-WFASDCNBSA-N	0	3	301.789	2.819	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccnc(C)c1)C(C)C	ZINC000574241653	430023569	/nfs/dbraw/zinc/02/35/69/430023569.db2.gz	HPJLLGIFZCIQDN-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000529978653	430092437	/nfs/dbraw/zinc/09/24/37/430092437.db2.gz	MADCIKUJCCTHFB-AZGDMVHKSA-N	0	3	300.402	2.687	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1	ZINC000530001375	430095515	/nfs/dbraw/zinc/09/55/15/430095515.db2.gz	ATGAFPSGCDZEJB-YESZJQIVSA-N	0	3	321.405	2.974	20	30		DFEDHN
N#Cc1ccc(CCC(=O)NC[C@@H]2CCN2C2CCCC2)cc1	ZINC000530030512	430096070	/nfs/dbraw/zinc/09/60/70/430096070.db2.gz	UKULFZPFGLMOMN-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@H]2CCN2C2CCCC2)CC12CCCC2	ZINC000530022075	430096235	/nfs/dbraw/zinc/09/62/35/430096235.db2.gz	HUDQHLHKFAVNFL-QAPCUYQASA-N	0	3	301.434	2.594	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)Nc1ccnn1CCN(C)C	ZINC000640170433	430104423	/nfs/dbraw/zinc/10/44/23/430104423.db2.gz	BSAVVYRQFCQLGB-UHFFFAOYSA-N	0	3	307.442	2.559	20	30		DFEDHN
C[C@](C#N)(NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1	ZINC000562096344	430108484	/nfs/dbraw/zinc/10/84/84/430108484.db2.gz	RBVGGKDBPVVJNB-FUHWJXTLSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN1C[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000577123404	430111096	/nfs/dbraw/zinc/11/10/96/430111096.db2.gz	LITKCBYVOMYTPI-SOLBZPMBSA-N	0	3	313.445	2.700	20	30		DFEDHN
N#CC1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCC1	ZINC000574862494	430053403	/nfs/dbraw/zinc/05/34/03/430053403.db2.gz	CJQWRZRFOFNSBF-UHFFFAOYSA-N	0	3	318.465	2.588	20	30		DFEDHN
N#Cc1c(NC(=O)CCN2C[C@H]3CCC[C@@H]32)sc2c1CCC2	ZINC000533081603	430156178	/nfs/dbraw/zinc/15/61/78/430156178.db2.gz	MMPRZSSPGMJYLE-RISCZKNCSA-N	0	3	315.442	2.921	20	30		DFEDHN
COC(C)(C)CN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000533482329	430160325	/nfs/dbraw/zinc/16/03/25/430160325.db2.gz	PSHWFEQOWLMIJX-SWKXRBFHSA-N	0	3	323.481	2.663	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1	ZINC000562707351	430171680	/nfs/dbraw/zinc/17/16/80/430171680.db2.gz	ICCHYBCLWJCHOM-KGLIPLIRSA-N	0	3	319.792	2.866	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@]1(C)CCCc2ccccc21)C1CC1	ZINC000538707666	430175015	/nfs/dbraw/zinc/17/50/15/430175015.db2.gz	QSVFHHBBXPQVFZ-OALUTQOASA-N	0	3	311.429	2.636	20	30		DFEDHN
Cn1cc([C@H]2CN(CCOc3cccc(C#N)c3)CC2(C)C)cn1	ZINC000562478287	430135950	/nfs/dbraw/zinc/13/59/50/430135950.db2.gz	INEPXWVHIPWIRL-GOSISDBHSA-N	0	3	324.428	2.796	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CC#N)CC1	ZINC000540990401	430183474	/nfs/dbraw/zinc/18/34/74/430183474.db2.gz	KHAKUIHLZZBLQQ-GASCZTMLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCCCCN1CCc2c(cccc2NS(C)(=O)=O)C1	ZINC000563595603	430190339	/nfs/dbraw/zinc/19/03/39/430190339.db2.gz	JSALWAXQJVEICF-UHFFFAOYSA-N	0	3	308.447	2.773	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCc2ccc(C#N)s2)CC1	ZINC000581363950	430201929	/nfs/dbraw/zinc/20/19/29/430201929.db2.gz	WOCKFABNCNPTRV-UHFFFAOYSA-N	0	3	320.462	2.636	20	30		DFEDHN
CCc1ccc([C@@H](C#N)NC(=O)CCN(C)c2ccncc2)cc1	ZINC000564516188	430195443	/nfs/dbraw/zinc/19/54/43/430195443.db2.gz	QWBOVLGVTLHQHD-GOSISDBHSA-N	0	3	322.412	2.851	20	30		DFEDHN
COCCN(CCc1ccncc1C)Cc1ccc(C#N)cc1	ZINC000581307216	430197262	/nfs/dbraw/zinc/19/72/62/430197262.db2.gz	JNELAUIHZHQHOZ-UHFFFAOYSA-N	0	3	309.413	2.953	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000564725231	430197654	/nfs/dbraw/zinc/19/76/54/430197654.db2.gz	RQFYRDMZNMJKQR-JKSUJKDBSA-N	0	3	320.481	2.832	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CC#N)CC1)N1CCCC[C@H]1C	ZINC000541965399	430198095	/nfs/dbraw/zinc/19/80/95/430198095.db2.gz	UIDAVPHDLHLDAP-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2CN(C)C)cc1	ZINC000565638560	430221479	/nfs/dbraw/zinc/22/14/79/430221479.db2.gz	XYANNMMMEQQETG-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000565492731	430215664	/nfs/dbraw/zinc/21/56/64/430215664.db2.gz	MYOILJVPDBWQCS-NJAFHUGGSA-N	0	3	311.429	2.627	20	30		DFEDHN
C=CCCCN(C)Cc1cnn2cc(Br)cnc12	ZINC000638097366	430235673	/nfs/dbraw/zinc/23/56/73/430235673.db2.gz	DFHFHPNBIAWBPV-UHFFFAOYSA-N	0	3	309.211	2.890	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc1	ZINC000544983628	430297115	/nfs/dbraw/zinc/29/71/15/430297115.db2.gz	OVUWTCIIONNEOJ-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)cc1OC	ZINC000545296324	430312582	/nfs/dbraw/zinc/31/25/82/430312582.db2.gz	KVXOEHRCJHYANP-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
CS[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1	ZINC000275522485	277524728	/nfs/dbraw/zinc/52/47/28/277524728.db2.gz	WWEBKDAZMJEIKW-HUUCEWRRSA-N	0	3	323.412	2.852	20	30		DFEDHN
COC[C@@]1(CNCc2ccc(C#N)cc2)OCCc2ccccc21	ZINC000289753577	277583347	/nfs/dbraw/zinc/58/33/47/277583347.db2.gz	HPIGDARLIITEOM-HXUWFJFHSA-N	0	3	322.408	2.762	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CNCC(C)(C)CC#N)c1C	ZINC000568501942	430363501	/nfs/dbraw/zinc/36/35/01/430363501.db2.gz	JJPSMKYZOIDLDE-MRXNPFEDSA-N	0	3	304.434	2.881	20	30		DFEDHN
C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cnc2c(C#N)cnn2c1	ZINC000568765544	430392679	/nfs/dbraw/zinc/39/26/79/430392679.db2.gz	KFANLQPXCRLYAP-RDTXWAMCSA-N	0	3	317.396	2.979	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)NCCN1CCCC[C@H]1C	ZINC000547418242	430393028	/nfs/dbraw/zinc/39/30/28/430393028.db2.gz	PALGLLDTPXQGDQ-CYBMUJFWSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#Cc1cnccc1NCC1(N2CCSCC2)CCCCC1	ZINC000548153628	430451179	/nfs/dbraw/zinc/45/11/79/430451179.db2.gz	SEJRRCSTDSPVOW-UHFFFAOYSA-N	0	3	316.474	2.539	20	30		DFEDHN
N#Cc1ccncc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000569425826	430451740	/nfs/dbraw/zinc/45/17/40/430451740.db2.gz	JGFOAQOXBJRQLL-RBUKOAKNSA-N	0	3	318.424	2.879	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccccc1OCc1ccccn1	ZINC000641768505	430467180	/nfs/dbraw/zinc/46/71/80/430467180.db2.gz	AWSXNAAGDDBXHT-QGZVFWFLSA-N	0	3	310.397	2.525	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(Oc2ccc(F)cc2)nc1	ZINC000641766773	430467295	/nfs/dbraw/zinc/46/72/95/430467295.db2.gz	BQRFTDXXZVMJKG-MRXNPFEDSA-N	0	3	314.360	2.877	20	30		DFEDHN
CC(C)[C@H](CNc1ccncc1C#N)N1CCc2ccccc2C1	ZINC000548479554	430479282	/nfs/dbraw/zinc/47/92/82/430479282.db2.gz	GSEWALLCRKFHOU-FQEVSTJZSA-N	0	3	320.440	2.870	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](C2CCC2)C1	ZINC000569199168	430431658	/nfs/dbraw/zinc/43/16/58/430431658.db2.gz	XUYYTFCWTXGWDL-ZWKOTPCHSA-N	0	3	312.413	2.786	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNc1ccnc2cc(OC)c(OC)cc21	ZINC000569805182	430486922	/nfs/dbraw/zinc/48/69/22/430486922.db2.gz	KMZQMWWTVQJIIJ-LRDDRELGSA-N	0	3	314.385	2.677	20	30		DFEDHN
CN(CCNc1nc(C#N)c(Cl)s1)Cc1ccc(F)cc1	ZINC000596150188	430508978	/nfs/dbraw/zinc/50/89/78/430508978.db2.gz	HGFIZNSHQPHTBU-UHFFFAOYSA-N	0	3	324.812	3.351	20	30		DFEDHN
C=CC(C)(C)CNCc1cnn2cc(Br)cnc12	ZINC000639227561	430580182	/nfs/dbraw/zinc/58/01/82/430580182.db2.gz	DDUHOUHNMCTABG-UHFFFAOYSA-N	0	3	309.211	2.794	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1ccncn1	ZINC000555066358	430658054	/nfs/dbraw/zinc/65/80/54/430658054.db2.gz	WBBLGBLFMKLJCQ-HNNXBMFYSA-N	0	3	305.337	2.876	20	30		DFEDHN
C=CCC1(C(=O)N2CCCN(C(C)(C)C)CC2)CCOCC1	ZINC000571875755	430658293	/nfs/dbraw/zinc/65/82/93/430658293.db2.gz	YDGRSOIASUMAKM-UHFFFAOYSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#CCC[C@H](C#N)CNCC1(N2CCSCC2)CCCCC1	ZINC000554551559	430642538	/nfs/dbraw/zinc/64/25/38/430642538.db2.gz	ZDBOVTBTMDEEAX-MRXNPFEDSA-N	0	3	320.506	2.771	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H](c3cccs3)C3CC3)cnc12	ZINC000555553330	430670042	/nfs/dbraw/zinc/67/00/42/430670042.db2.gz	GTNDHSYBDSOLSB-HNNXBMFYSA-N	0	3	309.398	2.903	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCOC[C@@H]2C)CC1	ZINC000555879155	430674965	/nfs/dbraw/zinc/67/49/65/430674965.db2.gz	VPKFVKZXXUYRAY-HOTGVXAUSA-N	0	3	313.445	2.804	20	30		DFEDHN
CN(CCNC(=O)[C@]1(C#N)CC12CCCC2)Cc1ccccc1	ZINC000556127996	430679286	/nfs/dbraw/zinc/67/92/86/430679286.db2.gz	UPCWADZSCKEQOF-LJQANCHMSA-N	0	3	311.429	2.709	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000639618642	430682715	/nfs/dbraw/zinc/68/27/15/430682715.db2.gz	QWLHNQDFTAFILJ-OALUTQOASA-N	0	3	303.446	2.977	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1cc(C#N)ccc1[N+](=O)[O-]	ZINC000286440503	278015376	/nfs/dbraw/zinc/01/53/76/278015376.db2.gz	SOFHYCYAHRAQGL-OCCSQVGLSA-N	0	3	300.362	2.529	20	30		DFEDHN
Cc1csc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1C#N	ZINC000572583520	430691568	/nfs/dbraw/zinc/69/15/68/430691568.db2.gz	XXBAXYWWUYVZJE-GFCCVEGCSA-N	0	3	306.435	2.734	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@]2(CCN(C)C2)C1	ZINC000661417526	430706754	/nfs/dbraw/zinc/70/67/54/430706754.db2.gz	HGGRVYUOEADYLA-NUJGCVRESA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000661571006	430761473	/nfs/dbraw/zinc/76/14/73/430761473.db2.gz	PAFFPRSXHLLVEZ-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(CC(=O)NCCCOc1ccccc1F)C(C)(C)C	ZINC000661756482	430832437	/nfs/dbraw/zinc/83/24/37/430832437.db2.gz	QHQRTKAIPINZPW-UHFFFAOYSA-N	0	3	322.424	2.997	20	30		DFEDHN
CN1C[C@H]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1	ZINC000644732421	430804794	/nfs/dbraw/zinc/80/47/94/430804794.db2.gz	UPNJILBWGFVNKC-GDBMZVCRSA-N	0	3	308.347	2.693	20	30		DFEDHN
CN1C[C@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)[C@H]2C1	ZINC000644732871	430805536	/nfs/dbraw/zinc/80/55/36/430805536.db2.gz	HCGOHGBNHCWAQU-ZBFHGGJFSA-N	0	3	324.346	2.573	20	30		DFEDHN
COCC#CCN[C@@H](c1ccccc1)C1(CO)CCCCC1	ZINC000665207089	430856657	/nfs/dbraw/zinc/85/66/57/430856657.db2.gz	NXSVQAPFUUYTDS-SFHVURJKSA-N	0	3	301.430	2.910	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2	ZINC000661836736	430859368	/nfs/dbraw/zinc/85/93/68/430859368.db2.gz	ACVUXKSLPATJFA-CVEARBPZSA-N	0	3	320.477	2.903	20	30		DFEDHN
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000644893996	430859413	/nfs/dbraw/zinc/85/94/13/430859413.db2.gz	MEQYMWDQYIIEQX-UHFFFAOYSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000661878814	430881553	/nfs/dbraw/zinc/88/15/53/430881553.db2.gz	GKYSJRMRIWHDLB-OKZBNKHCSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21	ZINC000665389725	430918771	/nfs/dbraw/zinc/91/87/71/430918771.db2.gz	OGJZCHJWQXOWST-QZWWFDLISA-N	0	3	305.466	2.857	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000662079323	430949806	/nfs/dbraw/zinc/94/98/06/430949806.db2.gz	JVVINJCMQYAGGL-OIISXLGYSA-N	0	3	314.429	2.883	20	30		DFEDHN
C=CCOCCNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000665417604	430927698	/nfs/dbraw/zinc/92/76/98/430927698.db2.gz	MGBZOOIQEUSWLJ-UHFFFAOYSA-N	0	3	302.418	2.605	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(OC)cc1	ZINC000662082577	430952181	/nfs/dbraw/zinc/95/21/81/430952181.db2.gz	WAEGIOIZNROJJF-CALCHBBNSA-N	0	3	314.429	2.837	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCCC1	ZINC000649140636	431012669	/nfs/dbraw/zinc/01/26/69/431012669.db2.gz	FFKANAGKAKVWQG-QGZVFWFLSA-N	0	3	320.477	2.883	20	30		DFEDHN
C=CCC1(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CCOCC1	ZINC000662875829	431222589	/nfs/dbraw/zinc/22/25/89/431222589.db2.gz	XTELXVZOTKTRNR-ZBFHGGJFSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000646194876	431223166	/nfs/dbraw/zinc/22/31/66/431223166.db2.gz	FUYZKSDPJMBWDQ-MRXNPFEDSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=CCN(CCc1ccco1)CCc1nc(C(C)=O)c(C)[nH]1	ZINC000660226049	431329643	/nfs/dbraw/zinc/32/96/43/431329643.db2.gz	UARBZZWCXCKKOJ-UHFFFAOYSA-N	0	3	301.390	2.787	20	30		DFEDHN
C=CCN(CCc1ccco1)CCc1nc(C)c(C(C)=O)[nH]1	ZINC000660226049	431329647	/nfs/dbraw/zinc/32/96/47/431329647.db2.gz	UARBZZWCXCKKOJ-UHFFFAOYSA-N	0	3	301.390	2.787	20	30		DFEDHN
C=C(C)COc1cc(CN(C[C@H](C)O)C2CC2)ccc1OC	ZINC000656277180	431352531	/nfs/dbraw/zinc/35/25/31/431352531.db2.gz	AJWZBBWHZZJLJF-AWEZNQCLSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(CCC)C1	ZINC000666923225	431406474	/nfs/dbraw/zinc/40/64/74/431406474.db2.gz	GXLSBILWUDBISW-HNNXBMFYSA-N	0	3	305.422	2.504	20	30		DFEDHN
C=CCOCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000656685434	431476941	/nfs/dbraw/zinc/47/69/41/431476941.db2.gz	QPIOJWHRCMENEI-GOSISDBHSA-N	0	3	316.445	2.923	20	30		DFEDHN
C=C[C@](C)(O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1	ZINC000666985737	431434536	/nfs/dbraw/zinc/43/45/36/431434536.db2.gz	LDXCXMMSRJYTSV-HKUYNNGSSA-N	0	3	316.445	2.513	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N1CCC[C@H](C)C1	ZINC000660642499	431527218	/nfs/dbraw/zinc/52/72/18/431527218.db2.gz	RQKJBWWKWCZRRR-PQEBFOHHSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCn1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)nn1	ZINC000653669381	431482465	/nfs/dbraw/zinc/48/24/65/431482465.db2.gz	SPROCPMDTLXVKE-KZNAEPCWSA-N	0	3	318.465	2.760	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CCF)C2)CC1	ZINC000660596315	431506811	/nfs/dbraw/zinc/50/68/11/431506811.db2.gz	DPJZVNBXBUAIST-OAHLLOKOSA-N	0	3	311.445	2.808	20	30		DFEDHN
C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000660812159	431611115	/nfs/dbraw/zinc/61/11/15/431611115.db2.gz	LWTBBRMLGHVIBE-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCCn1cc(CNC[C@H]2CCCO[C@H]2C(C)(C)C)nn1	ZINC000657363741	431703347	/nfs/dbraw/zinc/70/33/47/431703347.db2.gz	BCUBAMZSORXMJJ-GDBMZVCRSA-N	0	3	306.454	2.785	20	30		DFEDHN
C=CCCn1cc(CNC[C@H]2CCCO[C@@H]2C(C)(C)C)nn1	ZINC000657363746	431704150	/nfs/dbraw/zinc/70/41/50/431704150.db2.gz	BCUBAMZSORXMJJ-ZBFHGGJFSA-N	0	3	306.454	2.785	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1nn2c(nc(C)cc2=O)s1	ZINC000661120147	431739067	/nfs/dbraw/zinc/73/90/67/431739067.db2.gz	ZXHCWMUPDMNZJK-CHWSQXEVSA-N	0	3	318.446	2.684	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1csc(CC(=O)NC)n1	ZINC000661117999	431739261	/nfs/dbraw/zinc/73/92/61/431739261.db2.gz	VORIQBVNKXWHLC-JSGCOSHPSA-N	0	3	307.463	2.656	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@H](OC(C)C)C2)CC1	ZINC000650852158	431721414	/nfs/dbraw/zinc/72/14/14/431721414.db2.gz	SXCHMOCAUGFFMU-KRWDZBQOSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(Cc1ccc(CN2CCOCC2)cc1)[C@H](C)COC	ZINC000661241180	431790247	/nfs/dbraw/zinc/79/02/47/431790247.db2.gz	XRFZOMODAQGDJI-QGZVFWFLSA-N	0	3	318.461	2.542	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)cc1-n1cncn1)[C@H](C)COC	ZINC000661239350	431790556	/nfs/dbraw/zinc/79/05/56/431790556.db2.gz	FXNLIAYINZLFIL-CYBMUJFWSA-N	0	3	320.824	2.944	20	30		DFEDHN
C=CCN(CCC(=O)NCc1ccccc1Cl)[C@@H](C)COC	ZINC000661242935	431792584	/nfs/dbraw/zinc/79/25/84/431792584.db2.gz	HDHJOWOMDYXZQC-AWEZNQCLSA-N	0	3	324.852	2.869	20	30		DFEDHN
C=CCCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000651067999	431800231	/nfs/dbraw/zinc/80/02/31/431800231.db2.gz	GQNBVXLGUWMXRG-SFHVURJKSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2OC)C1	ZINC000661379565	431836992	/nfs/dbraw/zinc/83/69/92/431836992.db2.gz	ZRDPTZCSTBKSRH-JKSUJKDBSA-N	0	3	316.445	2.988	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)cc1Cl	ZINC000367066582	290041365	/nfs/dbraw/zinc/04/13/65/290041365.db2.gz	JUHNNADZDVGPIL-QXKQMHMISA-N	0	3	317.820	2.919	20	30		DFEDHN
Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000271641552	293111642	/nfs/dbraw/zinc/11/16/42/293111642.db2.gz	ZXKYZBSVFSSYDL-DLBZAZTESA-N	0	3	310.401	2.769	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C#N)c(Cl)c1	ZINC000157552087	295350481	/nfs/dbraw/zinc/35/04/81/295350481.db2.gz	SYNFYEGZSFKNED-ABAIWWIYSA-N	0	3	305.809	2.624	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000159228370	295374072	/nfs/dbraw/zinc/37/40/72/295374072.db2.gz	YQSNICLDUCTMJG-GDBMZVCRSA-N	0	3	317.820	2.768	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](COC(N)=O)Cc2ccccc2)s1	ZINC000497224350	300180575	/nfs/dbraw/zinc/18/05/75/300180575.db2.gz	AZABTLLEOUQPNO-CYBMUJFWSA-N	0	3	315.398	2.830	20	30		DFEDHN
N#Cc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)s1	ZINC000539506116	301343953	/nfs/dbraw/zinc/34/39/53/301343953.db2.gz	UQSLQOGGWGVXHA-UHFFFAOYSA-N	0	3	303.343	2.697	20	30		DFEDHN
CS[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H]1N(C)C	ZINC000540296338	301360879	/nfs/dbraw/zinc/36/08/79/301360879.db2.gz	PRNGLHLPPZSOBO-HZPDHXFCSA-N	0	3	312.442	2.588	20	30		DFEDHN
Cc1ccc(OCCNCc2cnc3ccc(C#N)cn23)c(C)c1	ZINC000540595675	301365889	/nfs/dbraw/zinc/36/58/89/301365889.db2.gz	OJTDYRQVDPGZPR-UHFFFAOYSA-N	0	3	320.396	2.991	20	30		DFEDHN
C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000543454291	301430787	/nfs/dbraw/zinc/43/07/87/301430787.db2.gz	DHBYRUSEHHZQFW-SNVBAGLBSA-N	0	3	315.442	2.968	20	30		DFEDHN
N#Cc1csc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)c1	ZINC000547256884	301522827	/nfs/dbraw/zinc/52/28/27/301522827.db2.gz	ALZHTHBARJNVAW-GHMZBOCLSA-N	0	3	313.386	2.525	20	30		DFEDHN
Cc1ccccc1[C@@H](CO)NCCC(=O)Nc1ccccc1C#N	ZINC000563220872	302051389	/nfs/dbraw/zinc/05/13/89/302051389.db2.gz	BRWYBHQBPCPYAL-GOSISDBHSA-N	0	3	323.396	2.519	20	30		DFEDHN
COc1cc(C#N)ccc1CN1C[C@H](c2cnn(C)c2)C(C)(C)C1	ZINC000563932171	302109260	/nfs/dbraw/zinc/10/92/60/302109260.db2.gz	NNZQZFVSCNLDHK-QGZVFWFLSA-N	0	3	324.428	2.926	20	30		DFEDHN
N#Cc1cnn2cc(CNC3CC(c4ccccc4)C3)cnc12	ZINC000564435830	302134941	/nfs/dbraw/zinc/13/49/41/302134941.db2.gz	DYTUAZYSMKPZMW-UHFFFAOYSA-N	0	3	303.369	2.637	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](O)COc1ccc(C#N)cc1	ZINC000564855784	302165060	/nfs/dbraw/zinc/16/50/60/302165060.db2.gz	HITAHIZMMRVUHC-LIVBEALHSA-N	0	3	322.408	2.821	20	30		DFEDHN
CC(C)(C)N1CCCN(c2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000564876903	302167896	/nfs/dbraw/zinc/16/78/96/302167896.db2.gz	XUHGZIAJGGGREP-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000565049321	302189300	/nfs/dbraw/zinc/18/93/00/302189300.db2.gz	ZKEOUEGDQVQGAI-MRXNPFEDSA-N	0	3	314.389	2.527	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)c(C#N)c3)C2)C1	ZINC000565676038	302237084	/nfs/dbraw/zinc/23/70/84/302237084.db2.gz	BBXFXYVNCFLBKL-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1Cl	ZINC000565867504	302245388	/nfs/dbraw/zinc/24/53/88/302245388.db2.gz	VBGYSVDYBRSZAS-OAHLLOKOSA-N	0	3	317.820	2.958	20	30		DFEDHN
CC(C)[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1(CO)CCC1	ZINC000566303431	302277423	/nfs/dbraw/zinc/27/74/23/302277423.db2.gz	GWCXAVCOTCXXTQ-MRXNPFEDSA-N	0	3	317.389	2.743	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NCCN2CCC3(CCCCC3)CC2)c1	ZINC000568535242	302459015	/nfs/dbraw/zinc/45/90/15/302459015.db2.gz	VUGSTYGUMIVANL-UHFFFAOYSA-N	0	3	314.433	2.662	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000570048491	302553490	/nfs/dbraw/zinc/55/34/90/302553490.db2.gz	WYSPKKJIUGKRHS-JKSUJKDBSA-N	0	3	315.373	2.904	20	30		DFEDHN
C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC2CCC1CC2	ZINC000574088597	302739712	/nfs/dbraw/zinc/73/97/12/302739712.db2.gz	FKJMPMHQXVTEAO-QAXUCOQFSA-N	0	3	311.429	2.889	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)[C@H](C3CC3)N3CCCC3)CC2)c1	ZINC000273760022	303203316	/nfs/dbraw/zinc/20/33/16/303203316.db2.gz	URSZZPHZFOVDJI-KRWDZBQOSA-N	0	3	309.413	2.538	20	30		DFEDHN
C[C@@H](Cc1ccccc1)CN1CCN(c2ncccc2C#N)CC1	ZINC000182029854	316082161	/nfs/dbraw/zinc/08/21/61/316082161.db2.gz	PYIAJSIJPNILJI-KRWDZBQOSA-N	0	3	320.440	2.954	20	30		DFEDHN
CCC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000318923950	316250262	/nfs/dbraw/zinc/25/02/62/316250262.db2.gz	XSNQUVFAMBTVEG-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000318898547	316250538	/nfs/dbraw/zinc/25/05/38/316250538.db2.gz	UONUHXCQAWQFOO-GDBMZVCRSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000320114640	316252828	/nfs/dbraw/zinc/25/28/28/316252828.db2.gz	QQYQHGBYHKFQHQ-GDBMZVCRSA-N	0	3	320.458	2.890	20	30		DFEDHN
CC[C@@H]1CN(c2ccc(C#N)c(N)n2)CCN1Cc1ccccc1	ZINC000575430078	318077505	/nfs/dbraw/zinc/07/75/05/318077505.db2.gz	NOOJBJNMTCYIPH-QGZVFWFLSA-N	0	3	321.428	2.636	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)c(N)n1	ZINC000575761946	318082041	/nfs/dbraw/zinc/08/20/41/318082041.db2.gz	ICRZPZYDDZARKV-OAHLLOKOSA-N	0	3	321.428	2.636	20	30		DFEDHN
CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1	ZINC000576445003	318126345	/nfs/dbraw/zinc/12/63/45/318126345.db2.gz	OKQAUPJYVMXFMC-QGZVFWFLSA-N	0	3	316.836	2.943	20	30		DFEDHN
COc1ccc([C@@H](CNc2cncc(C#N)n2)N2CCCC2)cc1	ZINC000577616676	318205579	/nfs/dbraw/zinc/20/55/79/318205579.db2.gz	XCMSWVLXCILLDT-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCOC[C@@H]2C)CC1	ZINC000578710350	318279112	/nfs/dbraw/zinc/27/91/12/318279112.db2.gz	GMOQVAFZXPFRLB-HOTGVXAUSA-N	0	3	313.445	2.804	20	30		DFEDHN
CC1(C)CCCc2cc(C#N)c(N3CCNC[C@](C)(F)C3)nc21	ZINC000578731562	318280758	/nfs/dbraw/zinc/28/07/58/318280758.db2.gz	GMCJBMIGCMDYPN-SFHVURJKSA-N	0	3	316.424	2.705	20	30		DFEDHN
CC(C)COC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000194539659	323270299	/nfs/dbraw/zinc/27/02/99/323270299.db2.gz	HMWONCMBONZFQW-SFHVURJKSA-N	0	3	302.418	2.556	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCC1	ZINC000382783173	323302292	/nfs/dbraw/zinc/30/22/92/323302292.db2.gz	VDFHTWFGYXADGP-KRWDZBQOSA-N	0	3	320.458	2.890	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)c2ccc(C#N)o2)CCC1	ZINC000386679605	323320038	/nfs/dbraw/zinc/32/00/38/323320038.db2.gz	PNRQCLWAXJLCIF-UHFFFAOYSA-N	0	3	323.396	2.936	20	30		DFEDHN
CC(C)CC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000391934829	323347396	/nfs/dbraw/zinc/34/73/96/323347396.db2.gz	PLIXVQNJXBNTQH-UHFFFAOYSA-N	0	3	320.458	2.748	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ncn1	ZINC000398056587	323356475	/nfs/dbraw/zinc/35/64/75/323356475.db2.gz	ZTLFXTBSTVMZBT-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)cn1C	ZINC000580656370	323417459	/nfs/dbraw/zinc/41/74/59/323417459.db2.gz	KKXOYLOPBBUBBV-UHFFFAOYSA-N	0	3	311.389	2.566	20	30		DFEDHN
CC#CCN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000297619464	331602391	/nfs/dbraw/zinc/60/23/91/331602391.db2.gz	RPTZABQTVLQDDE-UHFFFAOYSA-N	0	3	313.445	2.624	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)CC1	ZINC000363373266	331635526	/nfs/dbraw/zinc/63/55/26/331635526.db2.gz	JWPJFCRRSLEADW-MXASKKJJSA-N	0	3	302.462	2.519	20	30		DFEDHN
N#CCCCNCCC(=O)Nc1cccc(Br)c1	ZINC000564872636	331845480	/nfs/dbraw/zinc/84/54/80/331845480.db2.gz	IZBSLVBABRZCEV-UHFFFAOYSA-N	0	3	310.195	2.671	20	30		DFEDHN
CCSc1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000566107927	331964716	/nfs/dbraw/zinc/96/47/16/331964716.db2.gz	SAONDKCUUMGWAJ-ZBFHGGJFSA-N	0	3	321.490	2.656	20	30		DFEDHN
Cc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(OCCN(C)C)c1	ZINC000086298126	332020338	/nfs/dbraw/zinc/02/03/38/332020338.db2.gz	IZBIBKNTMHZAHR-AWEZNQCLSA-N	0	3	318.421	2.701	20	30		DFEDHN
COc1ccc(CN(CCO)CC(C)(C)CCC#N)c(OC)c1	ZINC000093363838	332137866	/nfs/dbraw/zinc/13/78/66/332137866.db2.gz	YXXQYXAONDGESM-UHFFFAOYSA-N	0	3	320.433	2.828	20	30		DFEDHN
NC(=O)C[C@H]1CCCCN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000427012836	332164585	/nfs/dbraw/zinc/16/45/85/332164585.db2.gz	AQHRNVPLNXMXIO-OAHLLOKOSA-N	0	3	324.346	2.787	20	30		DFEDHN
C#CCCCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000151143141	332200968	/nfs/dbraw/zinc/20/09/68/332200968.db2.gz	QRVDSXGFVWZGHU-SFHVURJKSA-N	0	3	313.445	2.754	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1)C(C)C	ZINC000236662035	332201303	/nfs/dbraw/zinc/20/13/03/332201303.db2.gz	ROFPEHHTRIIFAM-ROUUACIJSA-N	0	3	315.461	2.501	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H]2CCOC2)CC1	ZINC000374611043	332241873	/nfs/dbraw/zinc/24/18/73/332241873.db2.gz	LBKMMXSJPFMPKA-RDJZCZTQSA-N	0	3	308.466	2.548	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CCC1	ZINC000104702193	332247590	/nfs/dbraw/zinc/24/75/90/332247590.db2.gz	CSHHBVVLHAKEKN-IBGZPJMESA-N	0	3	324.428	2.773	20	30		DFEDHN
C=C(C)CCNCc1ccccc1OCC(=O)N1CCCC1	ZINC000449477196	332262363	/nfs/dbraw/zinc/26/23/63/332262363.db2.gz	OLNSFAMPLCFTQK-UHFFFAOYSA-N	0	3	302.418	2.744	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(Cl)cncc2Cl)CC1	ZINC000292998707	335099131	/nfs/dbraw/zinc/09/91/31/335099131.db2.gz	FWAOTIWZGKMPAF-UHFFFAOYSA-N	0	3	314.216	2.769	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](CN)c1ccccc1	ZINC000582124549	332336474	/nfs/dbraw/zinc/33/64/74/332336474.db2.gz	JOYIFAVATAZQSF-LJQANCHMSA-N	0	3	324.424	2.952	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000583358228	332349956	/nfs/dbraw/zinc/34/99/56/332349956.db2.gz	JBMSSUMSNGIKKS-QZTJIDSGSA-N	0	3	313.445	2.861	20	30		DFEDHN
C=CCCCS(=O)(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000293372208	335107593	/nfs/dbraw/zinc/10/75/93/335107593.db2.gz	LCHPACNUFOJURJ-UHFFFAOYSA-N	0	3	324.490	2.866	20	30		DFEDHN
C=C(C)CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425588288	335107723	/nfs/dbraw/zinc/10/77/23/335107723.db2.gz	OLUDFZIYCRCTCH-ZWKOTPCHSA-N	0	3	313.445	2.869	20	30		DFEDHN
N#CC1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000195334981	335105998	/nfs/dbraw/zinc/10/59/98/335105998.db2.gz	MKRGNBCDTSNLAW-IEBWSBKVSA-N	0	3	314.429	2.677	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)C1(C#N)CC(C)C1)c1ccco1	ZINC000561611360	332469775	/nfs/dbraw/zinc/46/97/75/332469775.db2.gz	XKINTHKKXXWDRA-DLOXAQCQSA-N	0	3	303.406	2.765	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000133761913	332592822	/nfs/dbraw/zinc/59/28/22/332592822.db2.gz	DSFAWYCLKPQWIQ-QGZVFWFLSA-N	0	3	314.433	2.815	20	30		DFEDHN
C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)NC(C)(C)C	ZINC000170715123	332635687	/nfs/dbraw/zinc/63/56/87/332635687.db2.gz	LMNAEDZCTKNLEE-STQMWFEESA-N	0	3	303.406	2.543	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(SC)ccc1Cl	ZINC000293905759	335115798	/nfs/dbraw/zinc/11/57/98/335115798.db2.gz	FQMSHRXGVGQEDX-UHFFFAOYSA-N	0	3	310.850	2.747	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1[nH]c2ccccc2c1Cl	ZINC000293910528	335115927	/nfs/dbraw/zinc/11/59/27/335115927.db2.gz	GABSPZSQKAMEES-UHFFFAOYSA-N	0	3	303.793	2.506	20	30		DFEDHN
C=CCOCCN(C)[C@H](CO)c1cccc(Br)c1	ZINC000293794042	335116975	/nfs/dbraw/zinc/11/69/75/335116975.db2.gz	MVAXNESBKTVDPW-CQSZACIVSA-N	0	3	314.223	2.617	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)NCCCCC#N)N(C)C)cc1	ZINC000170885330	333041879	/nfs/dbraw/zinc/04/18/79/333041879.db2.gz	UOGNWHWBVIKJTF-INIZCTEOSA-N	0	3	302.422	2.591	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000171076274	333044799	/nfs/dbraw/zinc/04/47/99/333044799.db2.gz	JWLGZIGEDYTEIX-HNNXBMFYSA-N	0	3	300.406	2.656	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cccc(-c2ccccn2)c1C	ZINC000294070956	335119841	/nfs/dbraw/zinc/11/98/41/335119841.db2.gz	VWPWZLZVIZDTJP-UHFFFAOYSA-N	0	3	321.424	2.742	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(CSCC)cc1	ZINC000294070509	335119848	/nfs/dbraw/zinc/11/98/48/335119848.db2.gz	VTERUKOQMKKIEH-UHFFFAOYSA-N	0	3	304.459	2.625	20	30		DFEDHN
C=CCNC(=O)CN1CC[C@H](Cc2ccc(C(C)C)cc2)C1	ZINC000460976767	333135551	/nfs/dbraw/zinc/13/55/51/333135551.db2.gz	FMBHBSFGCTYJEY-QGZVFWFLSA-N	0	3	300.446	2.977	20	30		DFEDHN
C=CCN(C)C[C@](C)(O)c1ccc(Br)cc1F	ZINC000294557337	335124790	/nfs/dbraw/zinc/12/47/90/335124790.db2.gz	LGKNNPOCXSQMMZ-ZDUSSCGKSA-N	0	3	302.187	2.914	20	30		DFEDHN
CC(C)Oc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1	ZINC000179680939	333154363	/nfs/dbraw/zinc/15/43/63/333154363.db2.gz	OKDFLSGIOWCLRJ-HNNXBMFYSA-N	0	3	317.433	2.887	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180266509	333160105	/nfs/dbraw/zinc/16/01/05/333160105.db2.gz	YVOYFWUNGBZOGI-UHFFFAOYSA-N	0	3	311.429	2.656	20	30		DFEDHN
Oc1ccccc1/C=N/Cc1ccccc1CN1CC[C@H](O)C1	ZINC000180422334	333161902	/nfs/dbraw/zinc/16/19/02/333161902.db2.gz	SJEIDHKOUURDJE-TYJAPOHBSA-N	0	3	310.397	2.578	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(F)c(C)cc2F)CC1	ZINC000294591073	335126160	/nfs/dbraw/zinc/12/61/60/335126160.db2.gz	LLAJVPLOAKNZBZ-UHFFFAOYSA-N	0	3	322.399	2.972	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181539691	333169891	/nfs/dbraw/zinc/16/98/91/333169891.db2.gz	UCLQXGKRJSUWHG-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
CCN1CCN(c2ccc(F)cc2[C@H](C)NCCCC#N)CC1	ZINC000181642929	333171006	/nfs/dbraw/zinc/17/10/06/333171006.db2.gz	NAFMKCQVMUZBQL-HNNXBMFYSA-N	0	3	318.440	2.922	20	30		DFEDHN
C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181763868	333172201	/nfs/dbraw/zinc/17/22/01/333172201.db2.gz	DLTGQWIIIZTSCG-LRTDBIEQSA-N	0	3	308.447	2.787	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)C(C)(C)c1ccccc1	ZINC000181780115	333172303	/nfs/dbraw/zinc/17/23/03/333172303.db2.gz	CGPTYTKETKLHDT-CVEARBPZSA-N	0	3	315.461	2.950	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](c1ccc(OC)cc1)C(C)C	ZINC000182048041	333175059	/nfs/dbraw/zinc/17/50/59/333175059.db2.gz	QXRHGUHKVOIPDG-GOSISDBHSA-N	0	3	317.433	2.744	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C	ZINC000294753147	335127292	/nfs/dbraw/zinc/12/72/92/335127292.db2.gz	XUTJAENHYKQTEP-XGWLTEMNSA-N	0	3	304.821	2.766	20	30		DFEDHN
N#CCNC(=O)CN[C@@H](CCCc1ccccc1)c1ccccc1	ZINC000108851326	333211496	/nfs/dbraw/zinc/21/14/96/333211496.db2.gz	JLUUBYHYPMPJNC-IBGZPJMESA-N	0	3	321.424	2.980	20	30		DFEDHN
Cc1ccc([C@@H](CN[C@@H]2CCC[C@H](C#N)C2)N2CCOCC2)o1	ZINC000185762825	333213728	/nfs/dbraw/zinc/21/37/28/333213728.db2.gz	ZLNFCOJAIXRCEN-GVDBMIGSSA-N	0	3	317.433	2.633	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCCCS(=O)(=O)c2ccccc2)C1	ZINC000185804327	333214241	/nfs/dbraw/zinc/21/42/41/333214241.db2.gz	MKLJNQBFTBDXQS-HUUCEWRRSA-N	0	3	306.431	2.522	20	30		DFEDHN
CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H](C#N)C2)c1	ZINC000185817818	333214573	/nfs/dbraw/zinc/21/45/73/333214573.db2.gz	LWRFUUKEUKIFDQ-LSDHHAIUSA-N	0	3	301.390	2.696	20	30		DFEDHN
COc1cc(OC)cc(OCCN[C@@H]2CCC[C@H](C#N)C2)c1	ZINC000185863206	333215254	/nfs/dbraw/zinc/21/52/54/333215254.db2.gz	HGGBEVQLWGDEQF-UONOGXRCSA-N	0	3	304.390	2.755	20	30		DFEDHN
C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000185880791	333215431	/nfs/dbraw/zinc/21/54/31/333215431.db2.gz	FQLHWMLKUQXEBZ-VNHYZAJKSA-N	0	3	306.431	2.823	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000185879462	333215460	/nfs/dbraw/zinc/21/54/60/333215460.db2.gz	LJWIZXLIMDBLEI-LSDHHAIUSA-N	0	3	306.431	2.652	20	30		DFEDHN
C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000497270345	333229575	/nfs/dbraw/zinc/22/95/75/333229575.db2.gz	UFHXRPCROAHXJM-QLFBSQMISA-N	0	3	320.437	2.808	20	30		DFEDHN
COc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1OCCCC#N	ZINC000189111376	333254922	/nfs/dbraw/zinc/25/49/22/333254922.db2.gz	YXZKVAIXSVMYKL-UONOGXRCSA-N	0	3	306.406	2.891	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccsc2)C[C@H]1C	ZINC000364625746	333325429	/nfs/dbraw/zinc/32/54/29/333325429.db2.gz	JYTKLVMKCZBZGR-VNHYZAJKSA-N	0	3	305.447	2.686	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NCc2ccccc2OC)CC1	ZINC000111258716	333328307	/nfs/dbraw/zinc/32/83/07/333328307.db2.gz	HGPWSTXKDHCVKA-AWEZNQCLSA-N	0	3	302.418	2.598	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)COc1ccc(Cl)c(Cl)c1	ZINC000295409769	335134064	/nfs/dbraw/zinc/13/40/64/335134064.db2.gz	MXLHLSCLHVGPTM-SNVBAGLBSA-N	0	3	317.216	2.653	20	30		DFEDHN
C#CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CCCCC1	ZINC000365067802	333354518	/nfs/dbraw/zinc/35/45/18/333354518.db2.gz	DMVGNEBHEXKYKJ-IAGOWNOFSA-N	0	3	302.462	2.903	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000528373700	333381017	/nfs/dbraw/zinc/38/10/17/333381017.db2.gz	VAPQVADDCZPEFP-CABCVRRESA-N	0	3	314.385	2.607	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2cccc(CC#N)c2)c1	ZINC000337233255	333444293	/nfs/dbraw/zinc/44/42/93/333444293.db2.gz	YVORYBBNWYKMJS-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(O)(Cc2ccccc2F)CC1	ZINC000365836461	333462985	/nfs/dbraw/zinc/46/29/85/333462985.db2.gz	ILKNERIDCOTFOW-MRXNPFEDSA-N	0	3	307.409	2.522	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000338658092	333495582	/nfs/dbraw/zinc/49/55/82/333495582.db2.gz	FYWMFTDSJNUEKV-CQSZACIVSA-N	0	3	322.840	2.792	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000339085677	333508029	/nfs/dbraw/zinc/50/80/29/333508029.db2.gz	UBAPFSSSLIUHOB-JTQLQIEISA-N	0	3	305.344	2.915	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)Cc1cc2ccccc2o1	ZINC000296836744	335146780	/nfs/dbraw/zinc/14/67/80/335146780.db2.gz	JAVZCDKCMIUGMR-UHFFFAOYSA-N	0	3	313.401	2.529	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCCCO1)C(C)C	ZINC000152066195	333593059	/nfs/dbraw/zinc/59/30/59/333593059.db2.gz	UIGIFXVWXBRZHV-IAGOWNOFSA-N	0	3	308.466	2.760	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCc3sccc32)CC1	ZINC000186406789	335157670	/nfs/dbraw/zinc/15/76/70/335157670.db2.gz	GDYCFTDVEPQBLL-OAHLLOKOSA-N	0	3	302.443	2.587	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)OCC)C2)cc1	ZINC000186452069	335158032	/nfs/dbraw/zinc/15/80/32/335158032.db2.gz	UXUMCGAMGVTKTB-GDBMZVCRSA-N	0	3	316.401	2.580	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCc3sccc32)CC1	ZINC000186406812	335158124	/nfs/dbraw/zinc/15/81/24/335158124.db2.gz	GDYCFTDVEPQBLL-HNNXBMFYSA-N	0	3	302.443	2.587	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCO[C@H]2c2nccn2C)c1	ZINC000343405746	335162600	/nfs/dbraw/zinc/16/26/00/335162600.db2.gz	TXBQSYXRJQJRHN-IAGOWNOFSA-N	0	3	313.401	2.605	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN2CCC1CC2	ZINC000413833001	333874175	/nfs/dbraw/zinc/87/41/75/333874175.db2.gz	JQWDWPIHXNSLMX-QGZVFWFLSA-N	0	3	313.445	2.663	20	30		DFEDHN
Cc1ccc(NC(=O)N(C)C[C@H](C)C#N)c(OCCN(C)C)c1	ZINC000265753595	333968299	/nfs/dbraw/zinc/96/82/99/333968299.db2.gz	YDHBJIZXTKEVBH-CQSZACIVSA-N	0	3	318.421	2.559	20	30		DFEDHN
CC(C)(C)[C@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000267523884	333984971	/nfs/dbraw/zinc/98/49/71/333984971.db2.gz	NCNSCRIFOBAZLS-KRWDZBQOSA-N	0	3	313.445	2.953	20	30		DFEDHN
COc1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1OCCCC#N	ZINC000414526602	334007418	/nfs/dbraw/zinc/00/74/18/334007418.db2.gz	PMAPNLOGHKFUHL-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
N#CCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1	ZINC000270232302	334009548	/nfs/dbraw/zinc/00/95/48/334009548.db2.gz	OQNFJROPHFESAM-UHFFFAOYSA-N	0	3	307.760	2.843	20	30		DFEDHN
N#CCc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000270289089	334010324	/nfs/dbraw/zinc/01/03/24/334010324.db2.gz	NUDOQJGZQGTPTO-IBGZPJMESA-N	0	3	319.408	2.757	20	30		DFEDHN
CCN(CCOC)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000271052630	334017644	/nfs/dbraw/zinc/01/76/44/334017644.db2.gz	QWBJJBPQLBQBDK-UHFFFAOYSA-N	0	3	312.417	2.932	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CCN(C3CCC3)CC2)cc1	ZINC000271189108	334019813	/nfs/dbraw/zinc/01/98/13/334019813.db2.gz	OOIVGYKWJWWGIF-UHFFFAOYSA-N	0	3	312.461	2.707	20	30		DFEDHN
CC[C@@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1O	ZINC000271246871	334020437	/nfs/dbraw/zinc/02/04/37/334020437.db2.gz	CNTCFDNGAOAQNF-CVEARBPZSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc([C@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000271773600	334026733	/nfs/dbraw/zinc/02/67/33/334026733.db2.gz	AHXDFZROPIARLE-SUMWQHHRSA-N	0	3	317.408	2.935	20	30		DFEDHN
Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)CCC#N)c(C)c1	ZINC000271792047	334026950	/nfs/dbraw/zinc/02/69/50/334026950.db2.gz	QTKQSLRLBMJTDB-MRXNPFEDSA-N	0	3	312.417	2.610	20	30		DFEDHN
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(OCC#N)cc1	ZINC000271870340	334028071	/nfs/dbraw/zinc/02/80/71/334028071.db2.gz	MNAYZZBLOUEYJX-PBHICJAKSA-N	0	3	316.401	2.925	20	30		DFEDHN
CC(C)N1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000271961433	334029241	/nfs/dbraw/zinc/02/92/41/334029241.db2.gz	NBJVTHCKTLNYBF-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
Cc1ccccc1[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)C1CC1	ZINC000272028392	334029815	/nfs/dbraw/zinc/02/98/15/334029815.db2.gz	MQCSTGWFSHAULU-RBUKOAKNSA-N	0	3	311.429	2.844	20	30		DFEDHN
C[C@@H](NCCCC#N)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000273191472	334044111	/nfs/dbraw/zinc/04/41/11/334044111.db2.gz	GXBFYDXDCOPNOG-SNVBAGLBSA-N	0	3	302.346	2.637	20	30		DFEDHN
CCc1ccc([C@@H](CN2CCOCC2)NCCCC#N)cc1	ZINC000273182134	334044261	/nfs/dbraw/zinc/04/42/61/334044261.db2.gz	FGIWBYDGSHMOBD-GOSISDBHSA-N	0	3	301.434	2.516	20	30		DFEDHN
N#CCc1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)cc1	ZINC000414761520	334087373	/nfs/dbraw/zinc/08/73/73/334087373.db2.gz	UAIVJHQMBXTSNG-SFHVURJKSA-N	0	3	320.396	2.761	20	30		DFEDHN
Cc1ccccc1C(=O)NC1CCN([C@H]2CC[C@H](C#N)C2)CC1	ZINC000278759413	334101023	/nfs/dbraw/zinc/10/10/23/334101023.db2.gz	XSBCLGWRXRROSV-RDJZCZTQSA-N	0	3	311.429	2.882	20	30		DFEDHN
Cn1ccnc1CC1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000343508675	335172816	/nfs/dbraw/zinc/17/28/16/335172816.db2.gz	JDIWNCYIUDAVQN-UHFFFAOYSA-N	0	3	308.429	2.941	20	30		DFEDHN
C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000414821058	334108532	/nfs/dbraw/zinc/10/85/32/334108532.db2.gz	DRTBNFIOBUGEOS-QWHCGFSZSA-N	0	3	300.406	2.702	20	30		DFEDHN
C[C@H](CN1CCOCC1)N(C)Cc1ccccc1C(C)(C)C#N	ZINC000279741760	334111569	/nfs/dbraw/zinc/11/15/69/334111569.db2.gz	OXDCWCKZRZROHI-MRXNPFEDSA-N	0	3	315.461	2.640	20	30		DFEDHN
C[C@H](NCC1(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000366834698	335176629	/nfs/dbraw/zinc/17/66/29/335176629.db2.gz	VJYLIWNNHZVIIL-FUHWJXTLSA-N	0	3	313.445	2.559	20	30		DFEDHN
N#CCOc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1	ZINC000281661378	334127494	/nfs/dbraw/zinc/12/74/94/334127494.db2.gz	KVYCRSWCKSCZSH-HXUWFJFHSA-N	0	3	322.408	2.903	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)[C@](C)(C#N)CC)N(C)C)cc1	ZINC000284923202	334145059	/nfs/dbraw/zinc/14/50/59/334145059.db2.gz	IONZAWPNEAEOHV-WMZOPIPTSA-N	0	3	301.434	2.908	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000286050188	334151002	/nfs/dbraw/zinc/15/10/02/334151002.db2.gz	LFESBGZHHMWIMC-MJGOQNOKSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(C)nc2Cl)CC1	ZINC000287245513	334157017	/nfs/dbraw/zinc/15/70/17/334157017.db2.gz	BHVFHWAURCAZKX-UHFFFAOYSA-N	0	3	321.852	2.743	20	30		DFEDHN
COCCN(CCCC1(C#N)CCOCC1)Cc1ccccn1	ZINC000287496660	334157950	/nfs/dbraw/zinc/15/79/50/334157950.db2.gz	TUCQRAIJPHNYII-UHFFFAOYSA-N	0	3	317.433	2.631	20	30		DFEDHN
C[C@@H](NC(=O)NCCCCC#N)[C@H](c1ccccc1)N(C)C	ZINC000287525293	334157987	/nfs/dbraw/zinc/15/79/87/334157987.db2.gz	VPYOWZCWJHEKJO-GDBMZVCRSA-N	0	3	302.422	2.671	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)CCCC#N)c1cccc(OC)c1	ZINC000291049624	334176033	/nfs/dbraw/zinc/17/60/33/334176033.db2.gz	ZHSWDIIWGVJHHG-QGZVFWFLSA-N	0	3	317.433	2.888	20	30		DFEDHN
CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000291378772	334178169	/nfs/dbraw/zinc/17/81/69/334178169.db2.gz	DYSGRSJPCPXFOE-LPHOPBHVSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](C#N)Oc1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000291580333	334179937	/nfs/dbraw/zinc/17/99/37/334179937.db2.gz	CFYCSMBQKHQRQJ-CYBMUJFWSA-N	0	3	301.390	2.648	20	30		DFEDHN
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCCC#N	ZINC000291634065	334180393	/nfs/dbraw/zinc/18/03/93/334180393.db2.gz	BGLWPDVJNKYICE-KRWDZBQOSA-N	0	3	314.433	2.588	20	30		DFEDHN
N#CCN(C(=O)C1C[C@H](c2ccccc2)OC1=O)C1CCCC1	ZINC000291943327	334183260	/nfs/dbraw/zinc/18/32/60/334183260.db2.gz	NNDREAKVTSQMOC-HZPDHXFCSA-N	0	3	312.369	2.586	20	30		DFEDHN
N#CCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000292181148	334185318	/nfs/dbraw/zinc/18/53/18/334185318.db2.gz	AWELXBVRLOROCW-UHFFFAOYSA-N	0	3	317.458	2.910	20	30		DFEDHN
N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)C1	ZINC000292703103	334190955	/nfs/dbraw/zinc/19/09/55/334190955.db2.gz	DIGNAYOUZSRDRY-UKRRQHHQSA-N	0	3	313.401	2.735	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CC[C@](CO)(Cc3ccc(F)cc3)C2)C1	ZINC000293592971	334199427	/nfs/dbraw/zinc/19/94/27/334199427.db2.gz	OKFNBNJCUBVEJY-NJAFHUGGSA-N	0	3	302.393	2.745	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](O)[C@@H]2C)cc1OCCCC#N	ZINC000295010294	334215530	/nfs/dbraw/zinc/21/55/30/334215530.db2.gz	MAUAGUNUHCDWPY-HOCLYGCPSA-N	0	3	318.417	2.723	20	30		DFEDHN
CC(F)(F)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000295685743	334226633	/nfs/dbraw/zinc/22/66/33/334226633.db2.gz	YWYBUQWFZQQZFK-AWEZNQCLSA-N	0	3	305.328	2.792	20	30		DFEDHN
C[C@@H](C#N)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000297693728	334243157	/nfs/dbraw/zinc/24/31/57/334243157.db2.gz	DLILYXAFYLWEEL-ZFWWWQNUSA-N	0	3	321.371	2.514	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1ccccn1)N1[C@H](C)CC[C@@H]1C	ZINC000298896060	334251939	/nfs/dbraw/zinc/25/19/39/334251939.db2.gz	NADJAIPJSFXGGV-OWCLPIDISA-N	0	3	314.433	2.585	20	30		DFEDHN
N#CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1	ZINC000299143686	334253483	/nfs/dbraw/zinc/25/34/83/334253483.db2.gz	JYCAAJMGZJXDPH-UHFFFAOYSA-N	0	3	311.429	2.851	20	30		DFEDHN
C[C@@H](CCC#N)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000299733652	334257771	/nfs/dbraw/zinc/25/77/71/334257771.db2.gz	YVXBMRSYJUVVIU-KBPBESRZSA-N	0	3	315.417	2.687	20	30		DFEDHN
C[C@@H](N[C@@H](C)CCC#N)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000299733654	334257794	/nfs/dbraw/zinc/25/77/94/334257794.db2.gz	YVXBMRSYJUVVIU-UONOGXRCSA-N	0	3	315.417	2.687	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1	ZINC000121331512	334343564	/nfs/dbraw/zinc/34/35/64/334343564.db2.gz	XHGMZDVIBXZCAK-VQTJNVASSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1	ZINC000121676281	334354640	/nfs/dbraw/zinc/35/46/40/334354640.db2.gz	KFTBZQWHRPFYCT-KRWDZBQOSA-N	0	3	317.429	2.917	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(F)cccc1OC(F)(F)F	ZINC000341297205	334424290	/nfs/dbraw/zinc/42/42/90/334424290.db2.gz	YSYFLFVRPHWYTR-JTQLQIEISA-N	0	3	307.287	2.999	20	30		DFEDHN
COCC1(C#N)CCN(CCCc2ccccc2OC)CC1	ZINC000341987570	334503430	/nfs/dbraw/zinc/50/34/30/334503430.db2.gz	HDBFGPNSTGCXQH-UHFFFAOYSA-N	0	3	302.418	2.880	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)NCCNc2ccncc2)cc1	ZINC000342161935	334518306	/nfs/dbraw/zinc/51/83/06/334518306.db2.gz	DAZKXTQHZNXBIL-UHFFFAOYSA-N	0	3	323.400	2.538	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CCSC)C(=O)N(C)C)cc1	ZINC000342318688	334532194	/nfs/dbraw/zinc/53/21/94/334532194.db2.gz	IFWCOOIJIBFOMK-MRXNPFEDSA-N	0	3	322.474	2.551	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1[C@H](C)CC[C@H]1C	ZINC000342397762	334538072	/nfs/dbraw/zinc/53/80/72/334538072.db2.gz	QIRUTOBLVHEDBH-HUUCEWRRSA-N	0	3	320.433	2.549	20	30		DFEDHN
Cc1ncc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)s1	ZINC000328764178	334752843	/nfs/dbraw/zinc/75/28/43/334752843.db2.gz	GERXNHHPLCTOMT-LLVKDONJSA-N	0	3	324.450	2.587	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2ncc(C(F)(F)F)s2)CC1	ZINC000330421590	334780797	/nfs/dbraw/zinc/78/07/97/334780797.db2.gz	DLSZUWHMXZCYEA-UHFFFAOYSA-N	0	3	322.356	2.972	20	30		DFEDHN
COc1ccc(SC)c(OC)c1C(=O)NC1CCN(C)CC1	ZINC000330673276	334803506	/nfs/dbraw/zinc/80/35/06/334803506.db2.gz	YHIFUWWLKIXWDF-UHFFFAOYSA-N	0	3	324.446	2.825	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@@H]1N(C)C	ZINC000343631899	335183176	/nfs/dbraw/zinc/18/31/76/335183176.db2.gz	BREMBRCYSIAWDF-JKSUJKDBSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000343718843	335186382	/nfs/dbraw/zinc/18/63/82/335186382.db2.gz	FKFAMPLCUNADLG-ZBFHGGJFSA-N	0	3	320.433	2.529	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(CC#N)cc2)CCN1CCOC	ZINC000343706417	335189433	/nfs/dbraw/zinc/18/94/33/335189433.db2.gz	ACDFZXDPOZJXLK-LJQANCHMSA-N	0	3	315.461	2.685	20	30		DFEDHN
CC#CCCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000343874582	335199246	/nfs/dbraw/zinc/19/92/46/335199246.db2.gz	YKZNMJWZJCIGOE-UHFFFAOYSA-N	0	3	314.429	2.775	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN(C2CCC2)C[C@H](C)C1)OCC	ZINC000344773733	335276491	/nfs/dbraw/zinc/27/64/91/335276491.db2.gz	LNNGDPJVHJOYLY-RDJZCZTQSA-N	0	3	308.466	2.691	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(CC)CC	ZINC000345152559	335301946	/nfs/dbraw/zinc/30/19/46/335301946.db2.gz	YIYYXCKVTOIKPQ-SOUVJXGZSA-N	0	3	321.465	2.511	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(C)C	ZINC000345133962	335304353	/nfs/dbraw/zinc/30/43/53/335304353.db2.gz	PDIZZTSLUVRDGI-RBSFLKMASA-N	0	3	321.465	2.511	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000345798635	335351723	/nfs/dbraw/zinc/35/17/23/335351723.db2.gz	PTVBZQLFERMYMH-HZPDHXFCSA-N	0	3	308.466	2.548	20	30		DFEDHN
Cc1ccc([C@@H](CN2CCOCC2)NCCC(C)(C)C#N)cc1	ZINC000345931987	335361953	/nfs/dbraw/zinc/36/19/53/335361953.db2.gz	DGHXPEVVIZXLML-GOSISDBHSA-N	0	3	315.461	2.898	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000345922539	335365622	/nfs/dbraw/zinc/36/56/22/335365622.db2.gz	WBXFUELJTHTZHB-CQSZACIVSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000346016179	335369909	/nfs/dbraw/zinc/36/99/09/335369909.db2.gz	LRAODEKAFRQSHL-OPQOLIRYSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000346285869	335392355	/nfs/dbraw/zinc/39/23/55/335392355.db2.gz	QBOSEGDMJRGQAV-MJGOQNOKSA-N	0	3	316.445	2.575	20	30		DFEDHN
CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(Cl)cc1	ZINC000347002824	335458623	/nfs/dbraw/zinc/45/86/23/335458623.db2.gz	DKWYMGVGHIMNLA-AWEZNQCLSA-N	0	3	305.809	2.943	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C	ZINC000347050605	335461684	/nfs/dbraw/zinc/46/16/84/335461684.db2.gz	QXBXQRXWDOMEAS-HUUCEWRRSA-N	0	3	302.418	2.740	20	30		DFEDHN
CC(C)C[C@H](NCC(=O)NC1(C#N)CCC1)c1cccs1	ZINC000347192798	335472618	/nfs/dbraw/zinc/47/26/18/335472618.db2.gz	HZZOHCMQFWIDGY-ZDUSSCGKSA-N	0	3	305.447	2.987	20	30		DFEDHN
C=CCOCCCN[C@H](CN1CCCC1=O)c1ccccc1	ZINC000348047929	335548074	/nfs/dbraw/zinc/54/80/74/335548074.db2.gz	GKFSIEALNIXADU-QGZVFWFLSA-N	0	3	302.418	2.532	20	30		DFEDHN
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000348327384	335577735	/nfs/dbraw/zinc/57/77/35/335577735.db2.gz	IYNFPZVLEMCJIG-YOEHRIQHSA-N	0	3	319.836	2.559	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2N2CCOCC2)C1	ZINC000442865825	335645273	/nfs/dbraw/zinc/64/52/73/335645273.db2.gz	UWXTZPYRTFYGIH-CJNGLKHVSA-N	0	3	319.836	2.958	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000518965796	335752934	/nfs/dbraw/zinc/75/29/34/335752934.db2.gz	VLAZRTFLCJYIQV-QGTPRVQTSA-N	0	3	310.397	2.861	20	30		DFEDHN
N#Cc1ccnc(SCC(=O)NC2CCN(C3CC3)CC2)c1	ZINC000329157564	335946601	/nfs/dbraw/zinc/94/66/01/335946601.db2.gz	WJMOWMTVNWANCB-UHFFFAOYSA-N	0	3	316.430	2.629	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCc2c1cccc2F	ZINC000329605061	336003998	/nfs/dbraw/zinc/00/39/98/336003998.db2.gz	LYWYQDCDJPABHN-QMTHXVAHSA-N	0	3	314.364	2.597	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2[nH]cnc2C1)=[NH+][C@@H]1CCc2c1cccc2F	ZINC000329605061	336004000	/nfs/dbraw/zinc/00/40/00/336004000.db2.gz	LYWYQDCDJPABHN-QMTHXVAHSA-N	0	3	314.364	2.597	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000351071786	336011717	/nfs/dbraw/zinc/01/17/17/336011717.db2.gz	FPUROCLTWOIVDC-LSDHHAIUSA-N	0	3	305.470	2.582	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)C(C)(C)C1	ZINC000351549083	336042445	/nfs/dbraw/zinc/04/24/45/336042445.db2.gz	XUCSHWKYJKKTNN-GOSISDBHSA-N	0	3	302.462	2.910	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCO1	ZINC000329690202	336051593	/nfs/dbraw/zinc/05/15/93/336051593.db2.gz	VYABAWDPNIWZEX-TZMCWYRMSA-N	0	3	320.389	2.593	20	30		DFEDHN
CCc1nc(C(=O)NCC2(N3CCCCC3)CCOCC2)co1	ZINC000329761847	336078923	/nfs/dbraw/zinc/07/89/23/336078923.db2.gz	RZUQZQVKLCDYJT-UHFFFAOYSA-N	0	3	321.421	2.577	20	30		DFEDHN
CC(C)c1nnc(CNC(=O)[C@@H]2CCCN2C2CCCC2)n1C	ZINC000329791132	336082095	/nfs/dbraw/zinc/08/20/95/336082095.db2.gz	UJOXMCWBGMUCRE-AWEZNQCLSA-N	0	3	319.453	2.802	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)NCc3cccc4cc[nH]c43)[C@@H]2C1	ZINC000329793311	336082317	/nfs/dbraw/zinc/08/23/17/336082317.db2.gz	AYLZXWILPMADOY-CZUORRHYSA-N	0	3	312.417	2.608	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)C1CCCCC1	ZINC000329845253	336088652	/nfs/dbraw/zinc/08/86/52/336088652.db2.gz	QGHAAQCDXVMQLM-DOMZBBRYSA-N	0	3	307.438	2.962	20	30		DFEDHN
[O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CCC[C@@H]1C1CCC1	ZINC000329872381	336091274	/nfs/dbraw/zinc/09/12/74/336091274.db2.gz	BIVXLJHNWFTARP-DZGCQCFKSA-N	0	3	302.422	2.624	20	30		DFEDHN
CN1CCC(O)(CNC(=O)[C@H]2CCSc3ccccc32)CC1	ZINC000330005551	336105233	/nfs/dbraw/zinc/10/52/33/336105233.db2.gz	BZXZGBNMQYFORH-AWEZNQCLSA-N	0	3	320.458	2.679	20	30		DFEDHN
C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC1(N2CCCC2)CCOCC1	ZINC000330027478	336107269	/nfs/dbraw/zinc/10/72/69/336107269.db2.gz	NELBXDRERGTGCA-GJZGRUSLSA-N	0	3	322.449	2.593	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2oc(CC3CC3)nc2C)CC1	ZINC000330036663	336108067	/nfs/dbraw/zinc/10/80/67/336108067.db2.gz	YKBKEWLMDVFMTC-UHFFFAOYSA-N	0	3	303.406	2.891	20	30		DFEDHN
C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](c3nc[nH]n3)C2)[C@H]1C	ZINC000330115039	336114713	/nfs/dbraw/zinc/11/47/13/336114713.db2.gz	FJKJOIHHOYFNIF-QPSCCSFWSA-N	0	3	319.453	2.765	20	30		DFEDHN
O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCCN1C1CCCC1	ZINC000330255618	336130355	/nfs/dbraw/zinc/13/03/55/336130355.db2.gz	BIOIUQSQZDFMPB-IRXDYDNUSA-N	0	3	324.465	2.528	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1cc(C)nc2ncnn21)C(C)C	ZINC000351981924	336185627	/nfs/dbraw/zinc/18/56/27/336185627.db2.gz	BILKJAASBAVAFM-HNNXBMFYSA-N	0	3	314.437	2.543	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333251968	336200360	/nfs/dbraw/zinc/20/03/60/336200360.db2.gz	YPRKUKNWAXQUGQ-OLMMMNRUSA-N	0	3	317.477	2.943	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1	ZINC000352199918	336201705	/nfs/dbraw/zinc/20/17/05/336201705.db2.gz	FZQUSJXEZKYWMM-KDOFPFPSSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1	ZINC000333615643	336207336	/nfs/dbraw/zinc/20/73/36/336207336.db2.gz	XOSFBJZNDOARGZ-SFHVURJKSA-N	0	3	301.434	2.617	20	30		DFEDHN
Cc1cc([C@H](NCC(=O)NC2(C#N)CCC2)C2CC2)ccc1F	ZINC000525893434	336376217	/nfs/dbraw/zinc/37/62/17/336376217.db2.gz	DPRJTMXSNNKVFO-QGZVFWFLSA-N	0	3	315.392	2.737	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(SC)n2)CC1	ZINC000353106440	336402595	/nfs/dbraw/zinc/40/25/95/336402595.db2.gz	AOWVAAUMZXWISK-UHFFFAOYSA-N	0	3	306.435	2.575	20	30		DFEDHN
C=CCOc1ccc(CNCCOC(F)(F)F)cc1OC	ZINC000353182817	336405866	/nfs/dbraw/zinc/40/58/66/336405866.db2.gz	PIFIKUKZAAEWIY-UHFFFAOYSA-N	0	3	305.296	2.886	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cccc(Br)c1OC	ZINC000358984615	336651286	/nfs/dbraw/zinc/65/12/86/336651286.db2.gz	JWETUUVIPBHYIC-LLVKDONJSA-N	0	3	314.223	2.732	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@@H]1OC	ZINC000361165596	336741964	/nfs/dbraw/zinc/74/19/64/336741964.db2.gz	KBJJUQRTISFRRW-KSZLIROESA-N	0	3	318.417	2.651	20	30		DFEDHN
Cc1nc(NC(=O)CC2CCN(C)CC2)sc1SCC#N	ZINC000362696310	336809358	/nfs/dbraw/zinc/80/93/58/336809358.db2.gz	XUZWDTKNLYQIFF-UHFFFAOYSA-N	0	3	324.475	2.738	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@H]1CC(=O)Nc2ccccc21	ZINC000362862735	336813528	/nfs/dbraw/zinc/81/35/28/336813528.db2.gz	SCNCFPRWYGBESV-MRXNPFEDSA-N	0	3	320.392	2.914	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2cccnc2)CC1	ZINC000369078942	336858184	/nfs/dbraw/zinc/85/81/84/336858184.db2.gz	ZDTBIRNPPSDIFP-KRWDZBQOSA-N	0	3	314.433	2.579	20	30		DFEDHN
C#CCOc1ccccc1CNCc1cccc(-n2cncn2)c1	ZINC000369411097	336864145	/nfs/dbraw/zinc/86/41/45/336864145.db2.gz	HOKPIOAHGYJMEH-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=C(Cl)CNC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000369511300	336866262	/nfs/dbraw/zinc/86/62/62/336866262.db2.gz	BFNIFTKRAIPFSA-UHFFFAOYSA-N	0	3	313.854	2.764	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369821123	336872458	/nfs/dbraw/zinc/87/24/58/336872458.db2.gz	DYZMLFWSDVFFEF-XKQJLSEDSA-N	0	3	301.434	2.868	20	30		DFEDHN
C#CCCCCC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000119594717	336893203	/nfs/dbraw/zinc/89/32/03/336893203.db2.gz	DUSFRFCQLYCHHS-UHFFFAOYSA-N	0	3	308.491	2.658	20	30		DFEDHN
CCN1CCN(C2CCN(CCCC(C)(C)C#N)CC2)C1=O	ZINC000371061932	336893718	/nfs/dbraw/zinc/89/37/18/336893718.db2.gz	IEVHXUQBBSYLHO-UHFFFAOYSA-N	0	3	306.454	2.538	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000305089109	337013040	/nfs/dbraw/zinc/01/30/40/337013040.db2.gz	OXOXSBLPHJNCKB-CVEARBPZSA-N	0	3	318.465	2.511	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000305089110	337013164	/nfs/dbraw/zinc/01/31/64/337013164.db2.gz	OXOXSBLPHJNCKB-HOTGVXAUSA-N	0	3	318.465	2.511	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H](c2cc(OC)cc(OC)c2)C1	ZINC000305107181	337013626	/nfs/dbraw/zinc/01/36/26/337013626.db2.gz	ZQPUIYNNFFKWPA-HOCLYGCPSA-N	0	3	305.418	2.820	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1	ZINC000375988412	337024720	/nfs/dbraw/zinc/02/47/20/337024720.db2.gz	YJLVCXCUTXDISG-CYBMUJFWSA-N	0	3	309.369	2.636	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3nnc(CC)n3C2)cc1	ZINC000376181278	337029007	/nfs/dbraw/zinc/02/90/07/337029007.db2.gz	LINDSLLMYWPYKG-GDBMZVCRSA-N	0	3	324.428	2.518	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000377605698	337055984	/nfs/dbraw/zinc/05/59/84/337055984.db2.gz	XQRVYJWMOQMNAD-HKUYNNGSSA-N	0	3	315.461	2.759	20	30		DFEDHN
C#Cc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1	ZINC000377633738	337057032	/nfs/dbraw/zinc/05/70/32/337057032.db2.gz	ZVIHUDUQHMAOTC-UHFFFAOYSA-N	0	3	306.413	2.585	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000377709269	337059471	/nfs/dbraw/zinc/05/94/71/337059471.db2.gz	SYXHQXHCIAOZOJ-QZTJIDSGSA-N	0	3	313.445	2.988	20	30		DFEDHN
C#CCCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000377883714	337063218	/nfs/dbraw/zinc/06/32/18/337063218.db2.gz	KXYXAJTWFMBBQV-SFHVURJKSA-N	0	3	313.445	2.611	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000377884656	337063310	/nfs/dbraw/zinc/06/33/10/337063310.db2.gz	RFIFHRBBOIOZQX-DLBZAZTESA-N	0	3	313.445	2.704	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2cn(C)c3ccccc23)C1	ZINC000377940852	337064218	/nfs/dbraw/zinc/06/42/18/337064218.db2.gz	MDRZEHRNLVPNLR-HUUCEWRRSA-N	0	3	311.429	2.658	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N(C1CC1)C1CCN(CC)CC1	ZINC000378106367	337066571	/nfs/dbraw/zinc/06/65/71/337066571.db2.gz	YWXAIXCPOMUFAP-UHFFFAOYSA-N	0	3	310.441	2.686	20	30		DFEDHN
CC(C)[C@]1(CO)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000378128186	337066865	/nfs/dbraw/zinc/06/68/65/337066865.db2.gz	JJGUYELUOWNVAY-CRAIPNDOSA-N	0	3	302.418	2.818	20	30		DFEDHN
CC(C)[C@@]1(CO)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000378128192	337066888	/nfs/dbraw/zinc/06/68/88/337066888.db2.gz	JJGUYELUOWNVAY-YJBOKZPZSA-N	0	3	302.418	2.818	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2ccncn2)C1	ZINC000378336783	337070117	/nfs/dbraw/zinc/07/01/17/337070117.db2.gz	XFMMILQORKSYEK-MRXNPFEDSA-N	0	3	307.397	2.868	20	30		DFEDHN
C=CCc1cc(CN2CCCC[C@H](CO)C2)cc(OC)c1O	ZINC000378347904	337070535	/nfs/dbraw/zinc/07/05/35/337070535.db2.gz	XBDBGOQHBIPDCY-AWEZNQCLSA-N	0	3	305.418	2.724	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1	ZINC000171726864	337088974	/nfs/dbraw/zinc/08/89/74/337088974.db2.gz	STDUJKPTWHHSIR-OAHLLOKOSA-N	0	3	302.418	2.529	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCC(C)(F)F)C(C)C	ZINC000582469632	337094260	/nfs/dbraw/zinc/09/42/60/337094260.db2.gz	OEYPJSRTXFCAFE-ZDUSSCGKSA-N	0	3	303.397	2.639	20	30		DFEDHN
N#CCC[C@H](C#N)CNC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582542261	337107132	/nfs/dbraw/zinc/10/71/32/337107132.db2.gz	PGCJXCQNSCBSRF-ODIFPOPNSA-N	0	3	323.400	2.676	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1	ZINC000172771880	337130947	/nfs/dbraw/zinc/13/09/47/337130947.db2.gz	CUPDSSOWWQJXMU-UHFFFAOYSA-N	0	3	322.412	2.699	20	30		DFEDHN
C#CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000174301251	337142368	/nfs/dbraw/zinc/14/23/68/337142368.db2.gz	REIVYNUXVQDTLX-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000175598819	337148252	/nfs/dbraw/zinc/14/82/52/337148252.db2.gz	PUJSLNWCZGNJKU-SJLPKXTDSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCCC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000178257477	337161743	/nfs/dbraw/zinc/16/17/43/337161743.db2.gz	UFKHALNCNKVJFE-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
C#CCCCCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000179978231	337173022	/nfs/dbraw/zinc/17/30/22/337173022.db2.gz	QQZYSTUUBCBRMY-IRXDYDNUSA-N	0	3	320.477	2.528	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCCOC(C)C)CC1	ZINC000181880852	337185132	/nfs/dbraw/zinc/18/51/32/337185132.db2.gz	VYXSSLKNFFUBOL-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000183910763	337195427	/nfs/dbraw/zinc/19/54/27/337195427.db2.gz	XNQYEPPIMCKWHX-NVXWUHKLSA-N	0	3	317.408	2.846	20	30		DFEDHN
COC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC	ZINC000185870807	337252194	/nfs/dbraw/zinc/25/21/94/337252194.db2.gz	DIFKBHHMYQCTNI-GXTWGEPZSA-N	0	3	302.374	2.654	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c(C)ccn1C)C(C)C	ZINC000189795083	337281392	/nfs/dbraw/zinc/28/13/92/337281392.db2.gz	WWQKVASWXQMLCH-MRXNPFEDSA-N	0	3	303.450	2.762	20	30		DFEDHN
C#CCCCC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000192306748	337304328	/nfs/dbraw/zinc/30/43/28/337304328.db2.gz	RIQQUYQZAAWQQD-UHFFFAOYSA-N	0	3	308.491	2.658	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000584392219	337311035	/nfs/dbraw/zinc/31/10/35/337311035.db2.gz	BZFHGUKUHCTSKO-KGLIPLIRSA-N	0	3	312.772	2.741	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2ncncc2C#N)CC1	ZINC000584526912	337356105	/nfs/dbraw/zinc/35/61/05/337356105.db2.gz	NIPQDZGLFRODSO-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)CC1	ZINC000418651924	337388303	/nfs/dbraw/zinc/38/83/03/337388303.db2.gz	MEVNOHJIGINOGV-QGZVFWFLSA-N	0	3	301.434	2.856	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NC[C@H](N)c1ccccc1CC	ZINC000418660408	337388425	/nfs/dbraw/zinc/38/84/25/337388425.db2.gz	YPPCIJHNXZSGAF-WBVHZDCISA-N	0	3	301.434	2.999	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCCC2(CCCCC2)C1	ZINC000111324008	337389784	/nfs/dbraw/zinc/38/97/84/337389784.db2.gz	RGZRJFHHJNAXIX-UHFFFAOYSA-N	0	3	316.449	2.689	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NCc1ccccc1OCCN(C)C	ZINC000125277831	337397817	/nfs/dbraw/zinc/39/78/17/337397817.db2.gz	UDRBEZYIEPXEMU-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCC3(CCOC3=O)CC2)cc1	ZINC000359883673	337440180	/nfs/dbraw/zinc/44/01/80/337440180.db2.gz	XHESUUWAADPHQH-CQSZACIVSA-N	0	3	314.385	2.507	20	30		DFEDHN
C#CCOc1ccccc1CNCC[C@@H]1C(=O)Nc2ccccc21	ZINC000194815856	337463834	/nfs/dbraw/zinc/46/38/34/337463834.db2.gz	SOWMLPNZXBHCDT-KRWDZBQOSA-N	0	3	320.392	2.914	20	30		DFEDHN
C=CCc1cc(CNC(=O)[C@H](N)CCCC)cc(OC)c1OC	ZINC000236768792	337465216	/nfs/dbraw/zinc/46/52/16/337465216.db2.gz	XYTPGAPCEGWMLJ-OAHLLOKOSA-N	0	3	320.433	2.566	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)NCC1(C#N)CCC1	ZINC000419636234	337490664	/nfs/dbraw/zinc/49/06/64/337490664.db2.gz	GZOCIOIGTLVGGE-UHFFFAOYSA-N	0	3	320.462	2.515	20	30		DFEDHN
COC1([C@H](C)NCC#Cc2ccc(Cl)cc2)CCOCC1	ZINC000421023127	337519843	/nfs/dbraw/zinc/51/98/43/337519843.db2.gz	AVSXWGYGOVYTMY-AWEZNQCLSA-N	0	3	307.821	2.865	20	30		DFEDHN
CC(C)[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000571981011	337585191	/nfs/dbraw/zinc/58/51/91/337585191.db2.gz	QCTZGXBEFHTCRP-IRXDYDNUSA-N	0	3	323.868	2.833	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1	ZINC000264498156	337632790	/nfs/dbraw/zinc/63/27/90/337632790.db2.gz	PUUNPDGYPVMSHT-UHFFFAOYSA-N	0	3	300.328	2.948	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)cs1	ZINC000424078629	337731315	/nfs/dbraw/zinc/73/13/15/337731315.db2.gz	QEUZKPQTJURCBA-SECBINFHSA-N	0	3	306.416	2.831	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000424103703	337736829	/nfs/dbraw/zinc/73/68/29/337736829.db2.gz	STZBGWNEOLABIV-MRXNPFEDSA-N	0	3	301.390	2.968	20	30		DFEDHN
CCSc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424113615	337740774	/nfs/dbraw/zinc/74/07/74/337740774.db2.gz	NRZNESVPJRPTCD-SWLSCSKDSA-N	0	3	305.447	2.997	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)N(CC)CC)c1ccccc1	ZINC000424118998	337742692	/nfs/dbraw/zinc/74/26/92/337742692.db2.gz	CKUYLNPTFSQEGK-BZSNNMDCSA-N	0	3	316.445	2.777	20	30		DFEDHN
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424128912	337749950	/nfs/dbraw/zinc/74/99/50/337749950.db2.gz	RQRQMUCKBIHNJX-GJZGRUSLSA-N	0	3	307.825	2.798	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	ZINC000424132600	337752123	/nfs/dbraw/zinc/75/21/23/337752123.db2.gz	WJNWRDIPNVIRLW-NEPJUHHUSA-N	0	3	317.286	2.566	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)NCC3(C#N)CCC3)CC2)CC1	ZINC000516555542	338015395	/nfs/dbraw/zinc/01/53/95/338015395.db2.gz	CCYHGKUOWZXVMK-UHFFFAOYSA-N	0	3	318.465	2.586	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)c1cc(C)c(C(=O)OC)o1	ZINC000429707494	338087761	/nfs/dbraw/zinc/08/77/61/338087761.db2.gz	JARUPSXMOVLCPP-AWEZNQCLSA-N	0	3	308.422	2.875	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)c1cn(-c2ccccc2)nn1	ZINC000429706445	338087823	/nfs/dbraw/zinc/08/78/23/338087823.db2.gz	GBYOVPNXGXBXTN-MRXNPFEDSA-N	0	3	313.449	2.768	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000429708230	338087956	/nfs/dbraw/zinc/08/79/56/338087956.db2.gz	LUMFPPXVTZBUIE-ZDUSSCGKSA-N	0	3	324.856	2.502	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C	ZINC000429709927	338088129	/nfs/dbraw/zinc/08/81/29/338088129.db2.gz	TUNYRWXWTTULRI-UHFFFAOYSA-N	0	3	317.477	2.990	20	30		DFEDHN
N#CCC1(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1	ZINC000430070435	338094704	/nfs/dbraw/zinc/09/47/04/338094704.db2.gz	XGHQLWKPGQJHCY-UHFFFAOYSA-N	0	3	324.384	2.631	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](CC=CC)C1=O)C(C)C	ZINC000430901418	338118549	/nfs/dbraw/zinc/11/85/49/338118549.db2.gz	TUEPSCVXZUNOPN-HPRJGHKQSA-N	0	3	319.449	2.572	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)NCC1(CC#N)CC1	ZINC000431195113	338125656	/nfs/dbraw/zinc/12/56/56/338125656.db2.gz	WQGLUSGAOZBCDD-UHFFFAOYSA-N	0	3	320.462	2.515	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccnn2C(CC)CC)CC1	ZINC000431919379	338141759	/nfs/dbraw/zinc/14/17/59/338141759.db2.gz	PMMNALZYHLIVRG-UHFFFAOYSA-N	0	3	304.438	2.624	20	30		DFEDHN
N#CCCC[C@H](NCC(=O)NCc1cccnc1)c1ccccc1	ZINC000433024440	338176910	/nfs/dbraw/zinc/17/69/10/338176910.db2.gz	XEMMJSQJFOPRJP-SFHVURJKSA-N	0	3	322.412	2.723	20	30		DFEDHN
N#CCCC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000433032146	338177424	/nfs/dbraw/zinc/17/74/24/338177424.db2.gz	LFHYSUAKOZZWFK-OAHLLOKOSA-N	0	3	313.361	2.816	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCOc1ccccc1	ZINC000433108998	338182119	/nfs/dbraw/zinc/18/21/19/338182119.db2.gz	JHTXGMCNGXNVES-QGZVFWFLSA-N	0	3	308.381	2.954	20	30		DFEDHN
C[C@@H]1CC2(CCC2)CN1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000433249283	338187884	/nfs/dbraw/zinc/18/78/84/338187884.db2.gz	RPBKYEXWVAAVQA-OAHLLOKOSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCCC1	ZINC000433346344	338193482	/nfs/dbraw/zinc/19/34/82/338193482.db2.gz	DNZIYRUGENUJJV-MRXNPFEDSA-N	0	3	300.402	2.570	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000433368044	338193852	/nfs/dbraw/zinc/19/38/52/338193852.db2.gz	SJNJRAVSXVXJCL-XIRDDKMYSA-N	0	3	300.402	2.521	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cccc(CO)c1	ZINC000433378850	338194267	/nfs/dbraw/zinc/19/42/67/338194267.db2.gz	RMTOWGVEWURUBT-SFHVURJKSA-N	0	3	308.381	2.568	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(Br)s1	ZINC000435733333	338246813	/nfs/dbraw/zinc/24/68/13/338246813.db2.gz	SPJLOVWMKNFYBH-JOYOIKCWSA-N	0	3	317.252	2.976	20	30		DFEDHN
OCC1(NCC#Cc2ccccc2Cl)Cc2ccccc2C1	ZINC000436261195	338264144	/nfs/dbraw/zinc/26/41/44/338264144.db2.gz	OOOSFRQXFIFUDE-UHFFFAOYSA-N	0	3	311.812	2.811	20	30		DFEDHN
C=CCOc1ccc(CN[C@]2(CO)C[C@H](OCC)C2(C)C)cc1	ZINC000436394831	338270647	/nfs/dbraw/zinc/27/06/47/338270647.db2.gz	URRKSPFDUJLLED-HKUYNNGSSA-N	0	3	319.445	2.907	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000437634148	338316756	/nfs/dbraw/zinc/31/67/56/338316756.db2.gz	GNULXHRTYCLFFE-IEBWSBKVSA-N	0	3	318.461	2.504	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000448604567	338346396	/nfs/dbraw/zinc/34/63/96/338346396.db2.gz	DLOFLCYONKKVPO-HNAYVOBHSA-N	0	3	311.429	2.838	20	30		DFEDHN
N#CCC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1	ZINC000438833824	338353093	/nfs/dbraw/zinc/35/30/93/338353093.db2.gz	HBIZPRATBRGQCV-DOTOQJQBSA-N	0	3	312.417	2.567	20	30		DFEDHN
N#C[C@H]1CC[C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C1	ZINC000442715170	338428843	/nfs/dbraw/zinc/42/88/43/338428843.db2.gz	ZGAIYRNESDMYOQ-YOEHRIQHSA-N	0	3	323.396	2.991	20	30		DFEDHN
Cc1cc(C)cc(N(CCC#N)C(=O)CSCCN(C)C)c1	ZINC000446568612	338530517	/nfs/dbraw/zinc/53/05/17/338530517.db2.gz	ZRCGJOYKHJASDH-UHFFFAOYSA-N	0	3	319.474	2.845	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](c1ccccc1)C1CC1	ZINC000451682428	338741914	/nfs/dbraw/zinc/74/19/14/338741914.db2.gz	PBNBVVIINISTGK-ZIFCJYIRSA-N	0	3	314.429	2.577	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453369227	338832975	/nfs/dbraw/zinc/83/29/75/338832975.db2.gz	SUKZKGVQEVSXKH-GDBMZVCRSA-N	0	3	302.418	2.791	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453376586	338834330	/nfs/dbraw/zinc/83/43/30/338834330.db2.gz	XRYCELIPOVAEQM-LYRGGWFBSA-N	0	3	304.390	2.648	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000454534982	338865952	/nfs/dbraw/zinc/86/59/52/338865952.db2.gz	AMTQNGBVFNQDCL-UHFFFAOYSA-N	0	3	315.461	2.597	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1	ZINC000457668130	338974248	/nfs/dbraw/zinc/97/42/48/338974248.db2.gz	YHGWSTWIBOVDPK-ROUUACIJSA-N	0	3	320.477	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(CC(F)(F)F)C2)CC1	ZINC000458336001	338996682	/nfs/dbraw/zinc/99/66/82/338996682.db2.gz	OWRJZYRBUHMNRO-UHFFFAOYSA-N	0	3	319.371	2.621	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000458671937	339003113	/nfs/dbraw/zinc/00/31/13/339003113.db2.gz	RXHPHECTASOZSI-LJQANCHMSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccco1	ZINC000458762742	339005002	/nfs/dbraw/zinc/00/50/02/339005002.db2.gz	IYVLACBDQHUQOR-KGLIPLIRSA-N	0	3	320.437	2.900	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1	ZINC000459250118	339017716	/nfs/dbraw/zinc/01/77/16/339017716.db2.gz	ZKZDJHKODRIWNB-HNNXBMFYSA-N	0	3	320.412	2.667	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(C)nc2scc(C3CC3)n12	ZINC000459567346	339036154	/nfs/dbraw/zinc/03/61/54/339036154.db2.gz	IABQUOXDVMXERS-ZDUSSCGKSA-N	0	3	305.447	2.998	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC=C(F)C1)C(C)C	ZINC000462128737	339072705	/nfs/dbraw/zinc/07/27/05/339072705.db2.gz	NWXNYYZQWVSLJL-INIZCTEOSA-N	0	3	309.429	2.954	20	30		DFEDHN
C=CCCCCN[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000471885160	339356746	/nfs/dbraw/zinc/35/67/46/339356746.db2.gz	JUCLBEVBTNEHIA-CYBMUJFWSA-N	0	3	311.223	2.921	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC	ZINC000472573404	339374239	/nfs/dbraw/zinc/37/42/39/339374239.db2.gz	GWVFEKRAKQVOPE-IXDOHACOSA-N	0	3	309.450	2.757	20	30		DFEDHN
CC#CCCNC(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000483431342	339665370	/nfs/dbraw/zinc/66/53/70/339665370.db2.gz	LYVOZEOVJPXXES-UHFFFAOYSA-N	0	3	315.461	2.606	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1)C(C)C	ZINC000491276434	339855971	/nfs/dbraw/zinc/85/59/71/339855971.db2.gz	JCDZUKVWZXSNKK-QLFBSQMISA-N	0	3	305.422	2.666	20	30		DFEDHN
C#CCNC(=O)CCNCc1ccc(-c2cccc(OC)c2)cc1	ZINC000491475062	339863565	/nfs/dbraw/zinc/86/35/65/339863565.db2.gz	SJBTZJYNQMLFND-UHFFFAOYSA-N	0	3	322.408	2.591	20	30		DFEDHN
C#C[C@@H](NC1CCN(C(=O)OCC)CC1)c1ccc(F)cc1	ZINC000491723612	339876277	/nfs/dbraw/zinc/87/62/77/339876277.db2.gz	CBDKKEZGRURGTK-MRXNPFEDSA-N	0	3	304.365	2.711	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000491752394	339878842	/nfs/dbraw/zinc/87/88/42/339878842.db2.gz	WIJYVKJYMDMKTO-WBVHZDCISA-N	0	3	301.434	2.651	20	30		DFEDHN
C#C[C@@H](NC1CCN(c2cnccn2)CC1)c1ccc(F)cc1	ZINC000491773418	339880317	/nfs/dbraw/zinc/88/03/17/339880317.db2.gz	RQPCSZUWJNQGLG-QGZVFWFLSA-N	0	3	310.376	2.549	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/C2(C)CCOCC2)CC1	ZINC000493026369	339915299	/nfs/dbraw/zinc/91/52/99/339915299.db2.gz	SFXKIPUHXVNEDP-QPJJXVBHSA-N	0	3	306.450	2.516	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C(F)(F)C2)CC1	ZINC000494807318	339960830	/nfs/dbraw/zinc/96/08/30/339960830.db2.gz	FEQRMDVIIHQQDZ-CYBMUJFWSA-N	0	3	315.408	2.714	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCC#Cc2ccc(F)cc2)C1	ZINC000495481573	339985674	/nfs/dbraw/zinc/98/56/74/339985674.db2.gz	RJERGAAFYQARGY-GDBMZVCRSA-N	0	3	318.392	2.634	20	30		DFEDHN
C=C(Br)CN[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1	ZINC000495538613	339986885	/nfs/dbraw/zinc/98/68/85/339986885.db2.gz	DCFOPICTJAXMJX-VXGBXAGGSA-N	0	3	319.243	2.742	20	30		DFEDHN
C[C@@H]1C[C@H](CNCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C	ZINC000496133362	339998998	/nfs/dbraw/zinc/99/89/98/339998998.db2.gz	LSARZPQQRUMRGJ-ZIAGYGMSSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@H]1C[C@@H](CNCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C	ZINC000496133359	339999015	/nfs/dbraw/zinc/99/90/15/339999015.db2.gz	LSARZPQQRUMRGJ-KBPBESRZSA-N	0	3	307.438	2.915	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C	ZINC000496220711	340000883	/nfs/dbraw/zinc/00/08/83/340000883.db2.gz	ZPDHOFYNEASJDE-SYQHCUMBSA-N	0	3	323.437	2.544	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000496278397	340002037	/nfs/dbraw/zinc/00/20/37/340002037.db2.gz	XSYCFJCXOFCLGB-MRXNPFEDSA-N	0	3	323.481	2.580	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000496300034	340002511	/nfs/dbraw/zinc/00/25/11/340002511.db2.gz	DKLSOSBFNXLYPL-YSHGAJCASA-N	0	3	313.445	2.730	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496655173	340009880	/nfs/dbraw/zinc/00/98/80/340009880.db2.gz	NMQBPGIJDWPXQQ-WMLDXEAASA-N	0	3	318.417	2.963	20	30		DFEDHN
C=CCCCCN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000497003696	340017972	/nfs/dbraw/zinc/01/79/72/340017972.db2.gz	NKUVWOZSWNSFCQ-OAHLLOKOSA-N	0	3	312.454	2.958	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1	ZINC000521613015	340526148	/nfs/dbraw/zinc/52/61/48/340526148.db2.gz	PPWPBODSVZXXDV-GVDBMIGSSA-N	0	3	313.397	2.894	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCC#Cc1ccc(F)cc1	ZINC000539478478	340886617	/nfs/dbraw/zinc/88/66/17/340886617.db2.gz	BPOZRQJSXGXPRI-SJLPKXTDSA-N	0	3	303.377	2.889	20	30		DFEDHN
C=CCOc1cccc(CNCCC(=O)Nc2ccccn2)c1	ZINC000539710643	340896773	/nfs/dbraw/zinc/89/67/73/340896773.db2.gz	VVQSFLBGUAHTMV-UHFFFAOYSA-N	0	3	311.385	2.765	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC2CCCC2)nc1)c1ccncn1	ZINC000544815954	341094602	/nfs/dbraw/zinc/09/46/02/341094602.db2.gz	LZEXCAAVCLQSHX-AWEZNQCLSA-N	0	3	308.341	2.683	20	30		DFEDHN
N#CC1(c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CCCCC1	ZINC000545134753	341109935	/nfs/dbraw/zinc/10/99/35/341109935.db2.gz	BMGGNQLARKNNJN-BETUJISGSA-N	0	3	313.405	2.650	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CCCN1CCCSCC#N	ZINC000074991853	341159278	/nfs/dbraw/zinc/15/92/78/341159278.db2.gz	UPPNXJTUAZZADF-CYBMUJFWSA-N	0	3	313.467	2.622	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000133854203	341194257	/nfs/dbraw/zinc/19/42/57/341194257.db2.gz	BEDSRSVHPYKMFP-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
COCC(C)(C)NCC(=O)N(CCC#N)c1cccc(C)c1C	ZINC000076494166	341208270	/nfs/dbraw/zinc/20/82/70/341208270.db2.gz	CVUXXLOVVKCDER-UHFFFAOYSA-N	0	3	317.433	2.565	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CCCC2)C1	ZINC000549669644	341300252	/nfs/dbraw/zinc/30/02/52/341300252.db2.gz	IXBDLKRMWHGURK-INIZCTEOSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccs1)c1nnc[n-]1	ZINC000550797094	341323328	/nfs/dbraw/zinc/32/33/28/341323328.db2.gz	KYDJNPPMKQFOOE-UBHSHLNASA-N	0	3	304.419	2.526	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1cccs1)c1nnc[nH]1	ZINC000550797094	341323329	/nfs/dbraw/zinc/32/33/29/341323329.db2.gz	KYDJNPPMKQFOOE-UBHSHLNASA-N	0	3	304.419	2.526	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC000246503477	341350963	/nfs/dbraw/zinc/35/09/63/341350963.db2.gz	BBVDFUJIXJDNCB-PKOBYXMFSA-N	0	3	315.461	2.994	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCCC1CCN(CC(F)(F)F)CC1	ZINC000573236538	341721939	/nfs/dbraw/zinc/72/19/39/341721939.db2.gz	DBRDIPQMPUOFJN-AWEZNQCLSA-N	0	3	316.371	2.684	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000576316072	341840083	/nfs/dbraw/zinc/84/00/83/341840083.db2.gz	RXEIVAADGUIAQV-XZJROXQQSA-N	0	3	318.808	2.915	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1	ZINC000577098792	341885843	/nfs/dbraw/zinc/88/58/43/341885843.db2.gz	IUIIITIZIVLVBN-MJBXVCDLSA-N	0	3	308.809	2.670	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H]([C@@H](C)CC)C1=O)C(C)C	ZINC000348778603	341957444	/nfs/dbraw/zinc/95/74/44/341957444.db2.gz	BOMXJWDAOSDBGC-JYJNAYRXSA-N	0	3	321.465	2.652	20	30		DFEDHN
C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCCC1	ZINC000331403854	534004224	/nfs/dbraw/zinc/00/42/24/534004224.db2.gz	NSZVENZIUWPVPG-FZMZJTMJSA-N	0	3	303.431	2.893	20	30		DFEDHN
CC[C@@H](O)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000265869072	523010091	/nfs/dbraw/zinc/01/00/91/523010091.db2.gz	VCRGEKAFNWEUQN-JKSUJKDBSA-N	0	3	318.417	2.571	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC2(CCOCC2)[C@@H]1C	ZINC000363800861	523521244	/nfs/dbraw/zinc/52/12/44/523521244.db2.gz	OIFCLGUKGYEBCW-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H](c2cc(C)[nH]n2)C1	ZINC000363500970	523523548	/nfs/dbraw/zinc/52/35/48/523523548.db2.gz	UCJQABMYJMRXCC-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H](c2cc(C)n[nH]2)C1	ZINC000363500970	523523553	/nfs/dbraw/zinc/52/35/53/523523553.db2.gz	UCJQABMYJMRXCC-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)nn1	ZINC000302007579	534795366	/nfs/dbraw/zinc/79/53/66/534795366.db2.gz	USZFVVOXCZLJFQ-ZDUSSCGKSA-N	0	3	313.430	2.734	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000364777677	526073320	/nfs/dbraw/zinc/07/33/20/526073320.db2.gz	KEXNDFVOOBTREM-CCKFTAQKSA-N	0	3	324.428	2.941	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1O	ZINC000330718005	526672133	/nfs/dbraw/zinc/67/21/33/526672133.db2.gz	VQVXXJYFOPOCRD-IAGOWNOFSA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(C)(C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1)C(N)=O	ZINC000294855056	527227964	/nfs/dbraw/zinc/22/79/64/527227964.db2.gz	SKROSLVLFQNVSJ-LBPRGKRZSA-N	0	3	305.447	2.733	20	30		DFEDHN
CC(C)[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000332014406	527776305	/nfs/dbraw/zinc/77/63/05/527776305.db2.gz	QAYRSEADAKHYRO-SFHVURJKSA-N	0	3	313.445	2.933	20	30		DFEDHN
COc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1C#N	ZINC000174344919	536898537	/nfs/dbraw/zinc/89/85/37/536898537.db2.gz	FAZJGAAEFBCQEA-INIZCTEOSA-N	0	3	324.380	2.669	20	30		DFEDHN
C=CC[C@@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C	ZINC000680484520	545501009	/nfs/dbraw/zinc/50/10/09/545501009.db2.gz	LMALYXWKKXFBOR-HNNXBMFYSA-N	0	3	303.381	2.655	20	30		DFEDHN
N#CC(C(=O)c1cccc(Nc2ncccn2)c1)c1ccncn1	ZINC000680618363	545519873	/nfs/dbraw/zinc/51/98/73/545519873.db2.gz	OULNJTXOLBOELD-AWEZNQCLSA-N	0	3	316.324	2.500	20	30		DFEDHN
C=CCCOCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000680628748	545521586	/nfs/dbraw/zinc/52/15/86/545521586.db2.gz	XDBZVMZAJQOQQR-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=C(C)CCN1CC[C@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000681404192	545638186	/nfs/dbraw/zinc/63/81/86/545638186.db2.gz	FPXORXXSUKXGDH-HNNXBMFYSA-N	0	3	320.437	2.582	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1cccc(Cl)c1	ZINC000681451740	545641877	/nfs/dbraw/zinc/64/18/77/545641877.db2.gz	DDTPXCMMKNPUJD-AEFFLSMTSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000681660797	545694133	/nfs/dbraw/zinc/69/41/33/545694133.db2.gz	ZJQKUHITKXDFMK-QGZVFWFLSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@]1(CC)CCOC1)C(C)C	ZINC000682851052	545927199	/nfs/dbraw/zinc/92/71/99/545927199.db2.gz	MEPVPRVOQWMMPT-WMZOPIPTSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000683529183	546054234	/nfs/dbraw/zinc/05/42/34/546054234.db2.gz	NPOREYPBQVJDCY-WDEREUQCSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC(C(C)C)C2)c(OC)c1	ZINC000684607099	546251471	/nfs/dbraw/zinc/25/14/71/546251471.db2.gz	VMGJUMFVMFOGTH-QGZVFWFLSA-N	0	3	319.445	2.751	20	30		DFEDHN
C=CC[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccncc1	ZINC000819735058	606219290	/nfs/dbraw/zinc/21/92/90/606219290.db2.gz	ZYBSMPVLCPSQCB-AWEZNQCLSA-N	0	3	312.402	2.730	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)N2CCCC2)cc1	ZINC000181264311	199273477	/nfs/dbraw/zinc/27/34/77/199273477.db2.gz	RPIQNMDIKJZZFK-SFHVURJKSA-N	0	3	322.412	2.762	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(Cl)nc2)CC1	ZINC000130895309	334931122	/nfs/dbraw/zinc/93/11/22/334931122.db2.gz	NMZJDACFUUCIDU-GQCTYLIASA-N	0	3	319.836	2.905	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1ccc(C#N)cc1	ZINC000085392514	299075445	/nfs/dbraw/zinc/07/54/45/299075445.db2.gz	XMODCKIKBHRYOF-ZQIUZPCESA-N	0	3	314.433	2.601	20	30		DFEDHN
CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(Cc2ccccc2)CC1	ZINC000181295648	199278321	/nfs/dbraw/zinc/27/83/21/199278321.db2.gz	CEONOSVUUBBBIA-UHFFFAOYSA-N	0	3	322.412	2.623	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CCN(C2CCCCC2)CC1	ZINC000596170187	398346777	/nfs/dbraw/zinc/34/67/77/398346777.db2.gz	XREQXDDIRGFVTB-UHFFFAOYSA-N	0	3	321.428	2.956	20	30		DFEDHN
C=CCCCN(C)C(=O)CCN1CCN(c2ccccc2)CC1	ZINC000081421779	398348088	/nfs/dbraw/zinc/34/80/88/398348088.db2.gz	WJEQABWAJXLKOC-UHFFFAOYSA-N	0	3	315.461	2.623	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C	ZINC000065930699	398351291	/nfs/dbraw/zinc/35/12/91/398351291.db2.gz	XVOXWOZLNNYFLW-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
Cn1ncc(C#N)c1NCCN1CCC2(CCCCC2)CC1	ZINC000596223831	398361315	/nfs/dbraw/zinc/36/13/15/398361315.db2.gz	YGTYDNJSDPCBOO-UHFFFAOYSA-N	0	3	301.438	2.750	20	30		DFEDHN
C=CCOc1cccc(CNc2cnn(CCN(C)C)c2)c1	ZINC000236997040	398366254	/nfs/dbraw/zinc/36/62/54/398366254.db2.gz	FKFBPCFFBIJFMQ-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(CCC#N)CC1	ZINC000567729353	398368263	/nfs/dbraw/zinc/36/82/63/398368263.db2.gz	VZCFWMXOJSJDDW-INIZCTEOSA-N	0	3	308.470	2.688	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)Nc1cccc(C#N)c1	ZINC000088335832	185246150	/nfs/dbraw/zinc/24/61/50/185246150.db2.gz	ABBYVPGAZJHKAR-UHFFFAOYSA-N	0	3	312.373	2.747	20	30		DFEDHN
N#CC(C(=O)c1cnc2n1CCCC2)c1cnc2ccccc2n1	ZINC000578432055	398372696	/nfs/dbraw/zinc/37/26/96/398372696.db2.gz	YUIZFLVLOJYUDI-GFCCVEGCSA-N	0	3	317.352	2.653	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2nnco2)CC1	ZINC000579363462	398379904	/nfs/dbraw/zinc/37/99/04/398379904.db2.gz	SUQIHANYJFGKLB-MRXNPFEDSA-N	0	3	324.384	2.548	20	30		DFEDHN
N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	ZINC000592123222	398387340	/nfs/dbraw/zinc/38/73/40/398387340.db2.gz	RANQGSJOXOSXEO-AABGKKOBSA-N	0	3	319.408	2.958	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN1CCC(CCC#N)CC1	ZINC000581367581	398389798	/nfs/dbraw/zinc/38/97/98/398389798.db2.gz	GJKHNMNHTDZWRD-QGZVFWFLSA-N	0	3	302.418	2.751	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2ccccc2F)CCC1	ZINC000592145410	398391107	/nfs/dbraw/zinc/39/11/07/398391107.db2.gz	YNKYIKIEOTVJGZ-UHFFFAOYSA-N	0	3	303.381	2.557	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000083763365	398390934	/nfs/dbraw/zinc/39/09/34/398390934.db2.gz	ZQZJNWJVXLFQSF-NSHDSACASA-N	0	3	318.258	2.801	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1ccccc1Cl	ZINC000681457826	545643115	/nfs/dbraw/zinc/64/31/15/545643115.db2.gz	KAIRADPAOBDLAF-QAPCUYQASA-N	0	3	318.848	2.928	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(C#N)c2)C1	ZINC000375178152	282272553	/nfs/dbraw/zinc/27/25/53/282272553.db2.gz	BIMUEOGKGWFIPN-INIZCTEOSA-N	0	3	323.371	2.830	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H](CCO)C(C)(C)C)c(C#N)c1C	ZINC000181461301	199299550	/nfs/dbraw/zinc/29/95/50/199299550.db2.gz	PQRATBURVVUEFW-CYBMUJFWSA-N	0	3	323.462	2.562	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](C)CC(C)(C)c1ccccc1	ZINC000272807203	210209471	/nfs/dbraw/zinc/20/94/71/210209471.db2.gz	CNWCEBJIJUGDOV-HNNXBMFYSA-N	0	3	309.475	2.933	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C#N)ccc1C)[C@@H]1CCN(C)C1	ZINC000592224183	398404506	/nfs/dbraw/zinc/40/45/06/398404506.db2.gz	JRBWVKZYEKOCKL-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
N#Cc1ccncc1NCC1CCN(Cc2ccncc2)CC1	ZINC000596437857	398412226	/nfs/dbraw/zinc/41/22/26/398412226.db2.gz	YJYUHWGWFNAQML-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
Cc1ccc(C#N)nc1NCC1CCN(Cc2ccncc2)CC1	ZINC000596442944	398413688	/nfs/dbraw/zinc/41/36/88/398413688.db2.gz	VLBGMTCRKYTLDJ-UHFFFAOYSA-N	0	3	321.428	2.981	20	30		DFEDHN
C=CCCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000086238981	398420009	/nfs/dbraw/zinc/42/00/09/398420009.db2.gz	WRGQZGFMTGRJOT-UHFFFAOYSA-N	0	3	302.418	2.938	20	30		DFEDHN
CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)NCc1cccs1	ZINC000592398435	398420968	/nfs/dbraw/zinc/42/09/68/398420968.db2.gz	YYLUQCIIMFROHG-NFAWXSAZSA-N	0	3	305.447	2.815	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cncc(OCC(C)C)n2)CC1	ZINC000086182747	398419172	/nfs/dbraw/zinc/41/91/72/398419172.db2.gz	BKSWBPAMPAPAAQ-UHFFFAOYSA-N	0	3	304.438	2.964	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(C#N)cc1F	ZINC000592396655	398421214	/nfs/dbraw/zinc/42/12/14/398421214.db2.gz	ILBPQLRTAXIVJL-YVEFUNNKSA-N	0	3	306.381	2.526	20	30		DFEDHN
CCN1CCC(n2nccc2NC(=O)c2cccc(C#N)c2)CC1	ZINC000067510155	398439111	/nfs/dbraw/zinc/43/91/11/398439111.db2.gz	KGAAJRRKQHQSEY-UHFFFAOYSA-N	0	3	323.400	2.664	20	30		DFEDHN
Cc1nsc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000585706968	398441240	/nfs/dbraw/zinc/44/12/40/398441240.db2.gz	KYHCLUUNISLPEG-RYUDHWBXSA-N	0	3	308.451	2.625	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000025865827	398446441	/nfs/dbraw/zinc/44/64/41/398446441.db2.gz	RBGGTIDCJNDXFA-SFHVURJKSA-N	0	3	310.397	2.624	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000025866908	398446574	/nfs/dbraw/zinc/44/65/74/398446574.db2.gz	NURZQMZWOKXKAR-IBGZPJMESA-N	0	3	324.424	2.933	20	30		DFEDHN
CC1(C#N)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000272641563	398449208	/nfs/dbraw/zinc/44/92/08/398449208.db2.gz	XPWVHQMUPJTFDY-UHFFFAOYSA-N	0	3	303.362	2.989	20	30		DFEDHN
Cn1ncc2c1CC(C)(C)CN(CCOc1cccc(C#N)c1)C2	ZINC000596598949	398457558	/nfs/dbraw/zinc/45/75/58/398457558.db2.gz	OOONSCGINRYETI-UHFFFAOYSA-N	0	3	324.428	2.755	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000027776946	398467491	/nfs/dbraw/zinc/46/74/91/398467491.db2.gz	ZASCCHLNJHNABX-LJQANCHMSA-N	0	3	322.408	2.986	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@](C)(C#N)C1	ZINC000596674664	398476671	/nfs/dbraw/zinc/47/66/71/398476671.db2.gz	SHJKTNXJPIFLHD-QGZVFWFLSA-N	0	3	316.405	2.524	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1=CCN(C)CC1	ZINC000272723930	210130600	/nfs/dbraw/zinc/13/06/00/210130600.db2.gz	JOJJFMQBNXCMLM-UONOGXRCSA-N	0	3	312.417	2.569	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)COc2ccccc2C#N)cc1	ZINC000029278952	398482730	/nfs/dbraw/zinc/48/27/30/398482730.db2.gz	INCBXLNYVBKYDT-UHFFFAOYSA-N	0	3	309.369	2.637	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(N(C)C(C)C)c2)CC1	ZINC000068163419	398483480	/nfs/dbraw/zinc/48/34/80/398483480.db2.gz	YBTPPENEGVHNLN-UHFFFAOYSA-N	0	3	313.445	2.815	20	30		DFEDHN
CCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C)C1	ZINC000592829517	398492140	/nfs/dbraw/zinc/49/21/40/398492140.db2.gz	PCEDIWZFPQSZFM-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596761931	398495608	/nfs/dbraw/zinc/49/56/08/398495608.db2.gz	DBEMEAAKEAJAGX-HOTGVXAUSA-N	0	3	306.454	2.586	20	30		DFEDHN
CCN(C(=O)Nc1cccc(C#N)c1C)[C@H]1CCN(CC)C1	ZINC000596803773	398505011	/nfs/dbraw/zinc/50/50/11/398505011.db2.gz	SQKOEDODEASWJG-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
CCN(Cc1cccs1)C[C@@H](O)COc1ccccc1C#N	ZINC000314731054	398520948	/nfs/dbraw/zinc/52/09/48/398520948.db2.gz	AFCTTXNENRFUDW-OAHLLOKOSA-N	0	3	316.426	2.882	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)S1	ZINC000070383184	282505500	/nfs/dbraw/zinc/50/55/00/282505500.db2.gz	INODCTPCJMLQOH-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
Cc1nsc(NC(=O)N[C@H](C)CN2CCC(C)CC2)c1C#N	ZINC000596903774	398526222	/nfs/dbraw/zinc/52/62/22/398526222.db2.gz	FPJVWLATLDVMCU-LLVKDONJSA-N	0	3	321.450	2.565	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1	ZINC000068794494	398527973	/nfs/dbraw/zinc/52/79/73/398527973.db2.gz	QHXWMYHYYIRDLT-HNNXBMFYSA-N	0	3	314.429	2.608	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596910263	398527920	/nfs/dbraw/zinc/52/79/20/398527920.db2.gz	YXLOIWFGLZKGHB-VXGBXAGGSA-N	0	3	321.371	2.687	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1	ZINC000596927363	398530343	/nfs/dbraw/zinc/53/03/43/398530343.db2.gz	ASZITRUQRMYGDE-HNNXBMFYSA-N	0	3	300.406	2.861	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596926162	398530458	/nfs/dbraw/zinc/53/04/58/398530458.db2.gz	NSEIQRKUDVJROO-GFCCVEGCSA-N	0	3	309.360	2.543	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2cccc(C)c2)CC1	ZINC000068822688	398531793	/nfs/dbraw/zinc/53/17/93/398531793.db2.gz	RNBGYFNSMFSARF-UHFFFAOYSA-N	0	3	312.457	2.734	20	30		DFEDHN
CC1(C)CCN(C[C@@H](O)COc2ccccc2C#N)CCS1	ZINC000318081794	398537649	/nfs/dbraw/zinc/53/76/49/398537649.db2.gz	FWUQWKWSCQADKK-OAHLLOKOSA-N	0	3	320.458	2.515	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NC3(C4CCC4)CC3)C2=O)cc1	ZINC000593082054	398540743	/nfs/dbraw/zinc/54/07/43/398540743.db2.gz	PGTIMAPUJLYNOR-KRWDZBQOSA-N	0	3	309.413	2.976	20	30		DFEDHN
COCCCN(CCOC)Cc1ccc(C2(C#N)CC2)cc1	ZINC000596991967	398542371	/nfs/dbraw/zinc/54/23/71/398542371.db2.gz	QBLVWBIYZIPUPL-UHFFFAOYSA-N	0	3	302.418	2.727	20	30		DFEDHN
C[C@@H](CC#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000596996625	398543204	/nfs/dbraw/zinc/54/32/04/398543204.db2.gz	VXGQAFPESVGJGA-ZDUSSCGKSA-N	0	3	305.447	2.626	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1OC	ZINC000091899444	398548685	/nfs/dbraw/zinc/54/86/85/398548685.db2.gz	GJRYIONVQBDXPQ-CVEARBPZSA-N	0	3	305.418	2.853	20	30		DFEDHN
COc1cc(CN2CCc3ccccc3[C@@H]2CN)ccc1C#N	ZINC000322892291	398559354	/nfs/dbraw/zinc/55/93/54/398559354.db2.gz	DKAYIMOTKCNRPO-SFHVURJKSA-N	0	3	307.397	2.625	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000589584553	398561664	/nfs/dbraw/zinc/56/16/64/398561664.db2.gz	ZUENWJLYOVTBKZ-GDBMZVCRSA-N	0	3	314.389	2.920	20	30		DFEDHN
Cn1cc(CN[C@H]2CO[C@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000597081425	398562792	/nfs/dbraw/zinc/56/27/92/398562792.db2.gz	HFZUCTMHMLYOLE-MSOLQXFVSA-N	0	3	322.412	2.616	20	30		DFEDHN
COCCc1ccc(OC[C@H](C)NCC2(CC#N)CC2)cc1	ZINC000597116030	398569421	/nfs/dbraw/zinc/56/94/21/398569421.db2.gz	CIVXGOASFQNSFR-HNNXBMFYSA-N	0	3	302.418	2.926	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C)c([N+](=O)[O-])c2)nc(C)n1	ZINC000041574784	398569433	/nfs/dbraw/zinc/56/94/33/398569433.db2.gz	ARYXBGUBOJAGGA-CYBMUJFWSA-N	0	3	310.313	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCO[C@H](C)C2)CC1	ZINC000330859546	398570027	/nfs/dbraw/zinc/57/00/27/398570027.db2.gz	VPRORZQFQTZJBE-HZPDHXFCSA-N	0	3	323.481	2.736	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1	ZINC000279895140	215214877	/nfs/dbraw/zinc/21/48/77/215214877.db2.gz	UYTYDNJDLJMOCW-ZXFNITATSA-N	0	3	300.402	2.888	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCC[C@H]1C[C@H](C)O	ZINC000279927740	215244229	/nfs/dbraw/zinc/24/42/29/215244229.db2.gz	WPDQFCJTXPRLBL-HOCLYGCPSA-N	0	3	318.417	2.571	20	30		DFEDHN
N#CC[C@H]1CCCN(Cc2ccc(O[C@H]3CCOC3)cc2)C1	ZINC000597177971	398583433	/nfs/dbraw/zinc/58/34/33/398583433.db2.gz	SSXRHKVVWCDRKN-QAPCUYQASA-N	0	3	300.402	2.980	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1	ZINC000589939222	398584324	/nfs/dbraw/zinc/58/43/24/398584324.db2.gz	ZQFJHMBECYLREG-YPMHNXCESA-N	0	3	302.271	2.633	20	30		DFEDHN
CC(C)N1CCCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000069817957	398585631	/nfs/dbraw/zinc/58/56/31/398585631.db2.gz	UTYWINAYVNJGCL-OAHLLOKOSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@H](CN[C@@H]1CCCC[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000597195972	398587299	/nfs/dbraw/zinc/58/72/99/398587299.db2.gz	PDPXNTGIYYJRCB-UKPHBRMFSA-N	0	3	320.458	2.866	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1snc(Cl)c1C#N	ZINC000092682108	398593814	/nfs/dbraw/zinc/59/38/14/398593814.db2.gz	JVRMNYAKSCUOPM-UHFFFAOYSA-N	0	3	310.810	2.829	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@H]3C[C@H]3C2)c(-c2ccncc2)n1	ZINC000597222066	398595627	/nfs/dbraw/zinc/59/56/27/398595627.db2.gz	BRTDAFXPXJCYFF-HOTGVXAUSA-N	0	3	307.401	2.701	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H]([C@H]4CCCCO4)C3)n2c1	ZINC000597224351	398596851	/nfs/dbraw/zinc/59/68/51/398596851.db2.gz	GWKPCSISBHOEKZ-FUHWJXTLSA-N	0	3	324.428	2.987	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(CC3(C#N)CC3)n2)c1	ZINC000590268450	398608776	/nfs/dbraw/zinc/60/87/76/398608776.db2.gz	AALLUTJRQRJVEI-UHFFFAOYSA-N	0	3	312.373	2.523	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)c(F)c1	ZINC000597239043	398602556	/nfs/dbraw/zinc/60/25/56/398602556.db2.gz	IOLBPIQFPSHVHG-WBVHZDCISA-N	0	3	304.365	2.909	20	30		DFEDHN
CCOC(=O)C1(C)CCN(CCOc2cccc(C#N)c2)CC1	ZINC000092836183	398602928	/nfs/dbraw/zinc/60/29/28/398602928.db2.gz	HMSWNUDIYOROLK-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
N#CCCOCCN[C@H](CN1CCCCC1)c1ccccc1	ZINC000590173395	398603244	/nfs/dbraw/zinc/60/32/44/398603244.db2.gz	HPHLVWYNGMHSIX-GOSISDBHSA-N	0	3	301.434	2.733	20	30		DFEDHN
CN(C)CCN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1	ZINC000092890576	398604305	/nfs/dbraw/zinc/60/43/05/398604305.db2.gz	NQNDCRNNTXVWLT-UHFFFAOYSA-N	0	3	323.444	2.544	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C[C@H](C(=O)OC)C2)ccc1OC	ZINC000597243464	398604417	/nfs/dbraw/zinc/60/44/17/398604417.db2.gz	KJNASOJKRQKIBD-SHTZXODSSA-N	0	3	319.401	2.691	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(Cl)s1	ZINC000071308825	398612174	/nfs/dbraw/zinc/61/21/74/398612174.db2.gz	NDPFVTGBCOJHHK-LBPRGKRZSA-N	0	3	322.817	2.803	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1	ZINC000593392397	398617439	/nfs/dbraw/zinc/61/74/39/398617439.db2.gz	IFYYOXGFAJCTJF-UKRRQHHQSA-N	0	3	302.374	2.735	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)CC1(C#N)CCOCC1	ZINC000597344090	398625898	/nfs/dbraw/zinc/62/58/98/398625898.db2.gz	GZIRUUJCKARNNW-UHFFFAOYSA-N	0	3	315.417	2.706	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](CC3CC3)C2)cc1	ZINC000590524472	398629308	/nfs/dbraw/zinc/62/93/08/398629308.db2.gz	ZVXJAIXLSMBRAG-QZTJIDSGSA-N	0	3	307.397	2.889	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)ccc(F)c2OC)CC1	ZINC000152504604	186079997	/nfs/dbraw/zinc/07/99/97/186079997.db2.gz	QXBQHJBBDHWPFG-UHFFFAOYSA-N	0	3	324.371	2.744	20	30		DFEDHN
CO[C@@](C)(CN1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1	ZINC000590594690	398636307	/nfs/dbraw/zinc/63/63/07/398636307.db2.gz	LDIDJPQAZAEOHU-MOPGFXCFSA-N	0	3	313.445	2.684	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cc(C)ccc2F)CC1	ZINC000164417318	186158670	/nfs/dbraw/zinc/15/86/70/186158670.db2.gz	BFXHREWKGOEGMX-UHFFFAOYSA-N	0	3	320.408	2.670	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1	ZINC000593477753	398641077	/nfs/dbraw/zinc/64/10/77/398641077.db2.gz	FSOPRAYEVKORMV-OAHLLOKOSA-N	0	3	315.417	2.958	20	30		DFEDHN
N#CCN1CCC(NCc2cc3cc(Cl)cnc3o2)CC1	ZINC000590645530	398644596	/nfs/dbraw/zinc/64/45/96/398644596.db2.gz	CVJDPSMAERHFFR-UHFFFAOYSA-N	0	3	304.781	2.559	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000593484001	398643204	/nfs/dbraw/zinc/64/32/04/398643204.db2.gz	KOGMUBRUHOBUPW-NFAWXSAZSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(Cn3cncn3)CC2)c1	ZINC000189980777	186258555	/nfs/dbraw/zinc/25/85/55/186258555.db2.gz	VRECBKGOSRWXAP-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
CCc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccn1	ZINC000590685525	398651122	/nfs/dbraw/zinc/65/11/22/398651122.db2.gz	LQCFOYJUQYCVTC-UHFFFAOYSA-N	0	3	323.400	2.708	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(c2noc(C(F)F)n2)CC1	ZINC000373366371	398656433	/nfs/dbraw/zinc/65/64/33/398656433.db2.gz	RIZRMTKFAQWBHQ-LLVKDONJSA-N	0	3	301.337	2.514	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	ZINC000593571953	398657062	/nfs/dbraw/zinc/65/70/62/398657062.db2.gz	KCAVOJYWGQRPNO-OAHLLOKOSA-N	0	3	314.433	2.705	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000171907775	198006569	/nfs/dbraw/zinc/00/65/69/198006569.db2.gz	AVLYCRDYJFIXGR-WMZOPIPTSA-N	0	3	313.445	2.740	20	30		DFEDHN
C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C#N)cc1	ZINC000171955299	198014881	/nfs/dbraw/zinc/01/48/81/198014881.db2.gz	YHHVRKPEZGBGRB-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1(C#N)CCC1	ZINC000590746875	398665223	/nfs/dbraw/zinc/66/52/23/398665223.db2.gz	FTXZBDJAPQTZCD-INMHGKMJSA-N	0	3	311.429	2.815	20	30		DFEDHN
Cc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)nc1	ZINC000590754224	398667024	/nfs/dbraw/zinc/66/70/24/398667024.db2.gz	BFTMUXGZLFHOLQ-UHFFFAOYSA-N	0	3	314.414	2.784	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](C#N)CCc1ccccc1	ZINC000597603163	398667344	/nfs/dbraw/zinc/66/73/44/398667344.db2.gz	ABXZWLUJKKPGLS-QZTJIDSGSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000597646910	398673884	/nfs/dbraw/zinc/67/38/84/398673884.db2.gz	HKBLKCRAMVJDBO-LPHOPBHVSA-N	0	3	311.429	2.661	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1	ZINC000593699268	398673910	/nfs/dbraw/zinc/67/39/10/398673910.db2.gz	DSXWJQMLTSOCEB-MEDUHNTESA-N	0	3	322.792	2.784	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000593729126	398678204	/nfs/dbraw/zinc/67/82/04/398678204.db2.gz	NXECUGCNPIKIDP-IUODEOHRSA-N	0	3	305.447	2.677	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)CC3(C#N)CCCCC3)C2)C1	ZINC000597696305	398681928	/nfs/dbraw/zinc/68/19/28/398681928.db2.gz	LEPHGOMUVDFEMU-SFHVURJKSA-N	0	3	303.450	2.795	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1	ZINC000173160984	198190190	/nfs/dbraw/zinc/19/01/90/198190190.db2.gz	XSGKVBZIDHTNAU-AZUAARDMSA-N	0	3	310.441	2.657	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)CC3(C#N)CCCCC3)C2)C1	ZINC000597696304	398682155	/nfs/dbraw/zinc/68/21/55/398682155.db2.gz	LEPHGOMUVDFEMU-GOSISDBHSA-N	0	3	303.450	2.795	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NC2(CN(C)C)CCC2)c1	ZINC000281203427	334977818	/nfs/dbraw/zinc/97/78/18/334977818.db2.gz	AEEJDSACWLBZEX-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCCOCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000597753471	398690158	/nfs/dbraw/zinc/69/01/58/398690158.db2.gz	AQQAVYUNKBHVKD-HNNXBMFYSA-N	0	3	304.434	2.825	20	30		DFEDHN
COc1ccc(C(=O)NCCN[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000173967972	198274542	/nfs/dbraw/zinc/27/45/42/198274542.db2.gz	MOHGCPVAPLHHOG-AWEZNQCLSA-N	0	3	323.396	2.647	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1	ZINC000106040395	398695085	/nfs/dbraw/zinc/69/50/85/398695085.db2.gz	QBMWZFJTZUQKRV-INIZCTEOSA-N	0	3	316.445	2.919	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000073722596	398696681	/nfs/dbraw/zinc/69/66/81/398696681.db2.gz	LILSIXRYUOWRDF-RHSMWYFYSA-N	0	3	316.449	2.895	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(C#N)c1	ZINC000182081505	199383967	/nfs/dbraw/zinc/38/39/67/199383967.db2.gz	JBCXQQCTDXTUHY-OAHLLOKOSA-N	0	3	307.397	2.809	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000418239895	398700004	/nfs/dbraw/zinc/70/00/04/398700004.db2.gz	BJELUXQAZIJIQM-QRTARXTBSA-N	0	3	314.433	2.630	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)N(C)C)cc1	ZINC000107540928	398703715	/nfs/dbraw/zinc/70/37/15/398703715.db2.gz	ZAJNTXWSLLZUHF-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
C=CCOc1ccc(CNC[C@](C)(O)c2ccco2)cc1OC	ZINC000174532682	198348194	/nfs/dbraw/zinc/34/81/94/198348194.db2.gz	AQUJBDCHYCSRKZ-SFHVURJKSA-N	0	3	317.385	2.850	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000597860546	398706222	/nfs/dbraw/zinc/70/62/22/398706222.db2.gz	OHPYNWDTDBHBIJ-YOEHRIQHSA-N	0	3	313.445	2.726	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000597861442	398706372	/nfs/dbraw/zinc/70/63/72/398706372.db2.gz	UJXTZNLBPHHXDG-GFCCVEGCSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000597864302	398707351	/nfs/dbraw/zinc/70/73/51/398707351.db2.gz	MNNXPPBIPDGYOZ-RHSMWYFYSA-N	0	3	318.380	2.555	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCN(Cc3ccc(C#N)cn3)C2)c1	ZINC000593957500	398707769	/nfs/dbraw/zinc/70/77/69/398707769.db2.gz	BJGOCZLKWSHYGS-INIZCTEOSA-N	0	3	307.401	2.591	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCC#N	ZINC000593961842	398709051	/nfs/dbraw/zinc/70/90/51/398709051.db2.gz	MWQDKZFXLALULH-UHFFFAOYSA-N	0	3	312.417	2.532	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000593989559	398715371	/nfs/dbraw/zinc/71/53/71/398715371.db2.gz	UIKVVFYTONGIOT-CRAIPNDOSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@@H]1CC(=O)NCCN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000591022073	398716262	/nfs/dbraw/zinc/71/62/62/398716262.db2.gz	MRSSYUKJTWIEAV-OAHLLOKOSA-N	0	3	319.408	2.936	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000593992796	398716372	/nfs/dbraw/zinc/71/63/72/398716372.db2.gz	FVYBDBXBXDMMBG-QGZVFWFLSA-N	0	3	311.429	2.603	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000591063116	398720285	/nfs/dbraw/zinc/72/02/85/398720285.db2.gz	RDFQGEJXJORSLQ-OKZBNKHCSA-N	0	3	311.429	2.652	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000597920956	398721008	/nfs/dbraw/zinc/72/10/08/398721008.db2.gz	DCCTYOWFQYDWRC-OAHLLOKOSA-N	0	3	324.428	2.767	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000597921976	398721136	/nfs/dbraw/zinc/72/11/36/398721136.db2.gz	IPVNBSCOQONTKJ-INIZCTEOSA-N	0	3	311.429	2.579	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)nc1	ZINC000594015293	398722129	/nfs/dbraw/zinc/72/21/29/398722129.db2.gz	IFYSGPRHELTTAA-VQTJNVASSA-N	0	3	321.424	2.911	20	30		DFEDHN
N#C[C@@]1(F)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1	ZINC000591076908	398722596	/nfs/dbraw/zinc/72/25/96/398722596.db2.gz	GERGAVCEAACVJT-SFHVURJKSA-N	0	3	315.392	2.750	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000597925946	398722683	/nfs/dbraw/zinc/72/26/83/398722683.db2.gz	ZDAYTLYQXDAWSQ-WMLDXEAASA-N	0	3	313.445	2.726	20	30		DFEDHN
CCCCOC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033505	398726908	/nfs/dbraw/zinc/72/69/08/398726908.db2.gz	QLQNVDPFBPYJKA-QGZVFWFLSA-N	0	3	302.418	2.705	20	30		DFEDHN
N#Cc1ccc(C2(NCCOC[C@H]3CCCO3)CCC2)cc1	ZINC000594031415	398726347	/nfs/dbraw/zinc/72/63/47/398726347.db2.gz	FFPJBFVTKFKFOB-QGZVFWFLSA-N	0	3	300.402	2.723	20	30		DFEDHN
CC(C)(C)OC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594032435	398726389	/nfs/dbraw/zinc/72/63/89/398726389.db2.gz	IGSUQTUMLSOJOO-INIZCTEOSA-N	0	3	302.418	2.703	20	30		DFEDHN
CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)c(C)c2)C1(C)C	ZINC000332496889	235036600	/nfs/dbraw/zinc/03/66/00/235036600.db2.gz	YMRYCRSQOSOTCL-WMZOPIPTSA-N	0	3	302.418	2.522	20	30		DFEDHN
C[C@H]1CN(c2nccnc2C#N)CCN1CCC1CCCCC1	ZINC000332540367	235073002	/nfs/dbraw/zinc/07/30/02/235073002.db2.gz	KQCJMRFEOSTSHG-HNNXBMFYSA-N	0	3	313.449	2.829	20	30		DFEDHN
CC(C)CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000047011434	398732655	/nfs/dbraw/zinc/73/26/55/398732655.db2.gz	FFRJQGVAOAFOJM-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
N#Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1F	ZINC000594070536	398737584	/nfs/dbraw/zinc/73/75/84/398737584.db2.gz	YZLCXHGZRWPVMP-JKSUJKDBSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000073649450	191336135	/nfs/dbraw/zinc/33/61/35/191336135.db2.gz	LQDJSTXSUMXAOS-LJQANCHMSA-N	0	3	310.397	2.568	20	30		DFEDHN
N#Cc1ccc(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1	ZINC000047257839	398741886	/nfs/dbraw/zinc/74/18/86/398741886.db2.gz	AUAJFIZKUDBPSC-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000598038391	398742033	/nfs/dbraw/zinc/74/20/33/398742033.db2.gz	BYZMIXGMCVZGRT-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cc1csc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1C#N	ZINC000594109800	398744950	/nfs/dbraw/zinc/74/49/50/398744950.db2.gz	LIRKCCODCMSPBC-LBPRGKRZSA-N	0	3	304.419	2.534	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)Nc2cccc(CN)c2)C[C@H]1c1ccccc1	ZINC000591309821	398746778	/nfs/dbraw/zinc/74/67/78/398746778.db2.gz	JILWKCFGXIZGCV-AEFFLSMTSA-N	0	3	320.396	2.916	20	30		DFEDHN
N#CCc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594115369	398747120	/nfs/dbraw/zinc/74/71/20/398747120.db2.gz	FLMOXKSYXVJPNI-SJORKVTESA-N	0	3	312.417	2.891	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)cc1	ZINC000594195143	398762656	/nfs/dbraw/zinc/76/26/56/398762656.db2.gz	CKKVIMOLRDSCOT-ROUUACIJSA-N	0	3	323.440	2.723	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1	ZINC000598193944	398766855	/nfs/dbraw/zinc/76/68/55/398766855.db2.gz	HTGBLUXEELPESA-MFKMUULPSA-N	0	3	323.190	2.509	20	30		DFEDHN
CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCCCC#N)C1	ZINC000598194753	398766802	/nfs/dbraw/zinc/76/68/02/398766802.db2.gz	HOOVEOKXNGYZSC-GOSISDBHSA-N	0	3	313.445	2.846	20	30		DFEDHN
C[C@@H]1CCC[C@H](CNC(=O)C(C#N)CCc2ccccc2)O1	ZINC000598215746	398772136	/nfs/dbraw/zinc/77/21/36/398772136.db2.gz	YBZRICLVYTUCQR-DJIMGWMZSA-N	0	3	300.402	2.833	20	30		DFEDHN
C[C@H](NC(=O)[C@]1(C#N)CCNC1)c1ccc(Cl)cc1Cl	ZINC000591592279	398774451	/nfs/dbraw/zinc/77/44/51/398774451.db2.gz	NYRKPVTWTVUFJV-XPTSAGLGSA-N	0	3	312.200	2.674	20	30		DFEDHN
Cc1nc(-c2cccc(NC(=O)[C@]3(C#N)CCNC3)c2)cs1	ZINC000591592889	398774584	/nfs/dbraw/zinc/77/45/84/398774584.db2.gz	UWNRFWJHHLKJFO-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1	ZINC000594243175	398772573	/nfs/dbraw/zinc/77/25/73/398772573.db2.gz	KAKGVGYNPWMXPJ-UHFFFAOYSA-N	0	3	308.470	2.832	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)/C=C/c1cccc(C#N)c1	ZINC000287539137	219573225	/nfs/dbraw/zinc/57/32/25/219573225.db2.gz	VWOSYLBXSUFUKQ-CMDGGOBGSA-N	0	3	311.429	2.906	20	30		DFEDHN
C[C@]1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000598221778	398774103	/nfs/dbraw/zinc/77/41/03/398774103.db2.gz	WTCAKDLXNCDZSI-HOCLYGCPSA-N	0	3	317.339	2.792	20	30		DFEDHN
C[C@H](NC(=O)[C@]1(C#N)CCNC1)c1cc(Cl)ccc1Cl	ZINC000591595293	398774767	/nfs/dbraw/zinc/77/47/67/398774767.db2.gz	XHIOPTXCOFIQHP-XPTSAGLGSA-N	0	3	312.200	2.674	20	30		DFEDHN
CC(C)(C)N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O	ZINC000591611646	398776422	/nfs/dbraw/zinc/77/64/22/398776422.db2.gz	ATWUAUMVNODHIK-SJORKVTESA-N	0	3	311.429	2.925	20	30		DFEDHN
N#C[C@@]1(C(=O)NCC2(c3cccs3)CCCCC2)CCNC1	ZINC000591614025	398776431	/nfs/dbraw/zinc/77/64/31/398776431.db2.gz	KAPXCBRUHPVIEC-KRWDZBQOSA-N	0	3	317.458	2.569	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2	ZINC000594283171	398778944	/nfs/dbraw/zinc/77/89/44/398778944.db2.gz	DBWVKGSVLDOGMA-ROUUACIJSA-N	0	3	324.428	2.600	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1CCN(C)CC1	ZINC000594282662	398779024	/nfs/dbraw/zinc/77/90/24/398779024.db2.gz	JTGCJGHWEPDJAP-HNNXBMFYSA-N	0	3	313.445	2.537	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)N[C@H]1CCCN3CCCC[C@H]13)C2	ZINC000594282865	398779210	/nfs/dbraw/zinc/77/92/10/398779210.db2.gz	ANHDERDSWVIZFA-ZWKOTPCHSA-N	0	3	324.428	2.600	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594287923	398779780	/nfs/dbraw/zinc/77/97/80/398779780.db2.gz	CHMZWXZTWDOTPP-CRAIPNDOSA-N	0	3	313.445	2.727	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@H]1CCC(C)(C)c2ccccc21	ZINC000591728133	398782357	/nfs/dbraw/zinc/78/23/57/398782357.db2.gz	FJFIPDKQKFWXPN-QAPCUYQASA-N	0	3	315.461	2.595	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594341773	398785300	/nfs/dbraw/zinc/78/53/00/398785300.db2.gz	XJEFSACRQALTGN-CRAIPNDOSA-N	0	3	313.445	2.726	20	30		DFEDHN
CC(C)[C@@H](CCO)NCc1cc(C#N)ccc1Br	ZINC000276942705	213192916	/nfs/dbraw/zinc/19/29/16/213192916.db2.gz	SJNUYKGOPWVVRW-CQSZACIVSA-N	0	3	311.223	2.817	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N2Cc3ccc(C#N)cc3C2)c1	ZINC000594408232	398794505	/nfs/dbraw/zinc/79/45/05/398794505.db2.gz	TZRXWFPCACVDIP-UHFFFAOYSA-N	0	3	305.381	2.776	20	30		DFEDHN
CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1Br	ZINC000591850024	398794635	/nfs/dbraw/zinc/79/46/35/398794635.db2.gz	QJDAFHTZUWFQGT-AWEZNQCLSA-N	0	3	322.250	2.847	20	30		DFEDHN
CC[C@@H]1CN(C)CCN1Cc1cc(C#N)ccc1Br	ZINC000591849389	398794787	/nfs/dbraw/zinc/79/47/87/398794787.db2.gz	LRLOPNWNZNHAAL-CQSZACIVSA-N	0	3	322.250	2.847	20	30		DFEDHN
CC(C)[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1CCCCC1	ZINC000594410090	398795040	/nfs/dbraw/zinc/79/50/40/398795040.db2.gz	ZSUXCTTYBJCMPX-GOSISDBHSA-N	0	3	311.429	2.911	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCSC[C@@H]1c1ccccc1	ZINC000594425821	398797789	/nfs/dbraw/zinc/79/77/89/398797789.db2.gz	ATLXGRUWTFLVRC-HZPDHXFCSA-N	0	3	317.458	2.714	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1	ZINC000594424869	398798097	/nfs/dbraw/zinc/79/80/97/398798097.db2.gz	DDXYVQDOGCXIKY-INIZCTEOSA-N	0	3	303.381	2.728	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1	ZINC000594429327	398798558	/nfs/dbraw/zinc/79/85/58/398798558.db2.gz	STZYBHQEBCQJLM-IRXDYDNUSA-N	0	3	317.408	2.770	20	30		DFEDHN
COc1ccccc1CN(C(=O)[C@@H](N)CCCCC#N)C1CC1	ZINC000594428935	398798607	/nfs/dbraw/zinc/79/86/07/398798607.db2.gz	PULVGNUKCMEYBU-INIZCTEOSA-N	0	3	315.417	2.597	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC(c2ccc(O)cc2)CC1	ZINC000594428264	398798848	/nfs/dbraw/zinc/79/88/48/398798848.db2.gz	LVSCYBWZGHHRAB-QGZVFWFLSA-N	0	3	315.417	2.509	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1	ZINC000594429324	398798938	/nfs/dbraw/zinc/79/89/38/398798938.db2.gz	STZYBHQEBCQJLM-DLBZAZTESA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1CCC(C(F)(F)F)CC1	ZINC000594430307	398799426	/nfs/dbraw/zinc/79/94/26/398799426.db2.gz	YYLBVPWDVDZBIA-HTAVTVPLSA-N	0	3	305.344	2.635	20	30		DFEDHN
CCc1nc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2o1	ZINC000594429651	398799562	/nfs/dbraw/zinc/79/95/62/398799562.db2.gz	VHBTVVWFXBBWER-LBPRGKRZSA-N	0	3	300.362	2.740	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1	ZINC000594430228	398799598	/nfs/dbraw/zinc/79/95/98/398799598.db2.gz	XGIAPHFAWONMDH-IAGOWNOFSA-N	0	3	315.417	2.674	20	30		DFEDHN
COc1ccc([C@@H](C)CCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594433650	398800423	/nfs/dbraw/zinc/80/04/23/398800423.db2.gz	QCKLDTUSNKHRRS-YOEHRIQHSA-N	0	3	317.433	2.716	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	ZINC000594435778	398801264	/nfs/dbraw/zinc/80/12/64/398801264.db2.gz	DELOJKXKCCLMJA-PVAVHDDUSA-N	0	3	317.408	2.989	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc2c(cccc2Cl)[nH]1	ZINC000594434370	398801318	/nfs/dbraw/zinc/80/13/18/398801318.db2.gz	YEXJLRUJKVVQCF-JTQLQIEISA-N	0	3	305.769	2.566	20	30		DFEDHN
CSc1ccc(F)cc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594433954	398801745	/nfs/dbraw/zinc/80/17/45/398801745.db2.gz	VGFWKIAJXWEBSM-CYBMUJFWSA-N	0	3	309.410	2.575	20	30		DFEDHN
Cc1nc2c(s1)[C@H](N(C)C(=O)[C@H](N)CCCCC#N)CCC2	ZINC000594437127	398802183	/nfs/dbraw/zinc/80/21/83/398802183.db2.gz	IINFFLHLZFPVDL-TZMCWYRMSA-N	0	3	320.462	2.699	20	30		DFEDHN
Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)CCC2	ZINC000594437124	398802426	/nfs/dbraw/zinc/80/24/26/398802426.db2.gz	IINFFLHLZFPVDL-GXTWGEPZSA-N	0	3	320.462	2.699	20	30		DFEDHN
Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)CCC2	ZINC000594437126	398802508	/nfs/dbraw/zinc/80/25/08/398802508.db2.gz	IINFFLHLZFPVDL-OCCSQVGLSA-N	0	3	320.462	2.699	20	30		DFEDHN
CSCCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594439342	398803179	/nfs/dbraw/zinc/80/31/79/398803179.db2.gz	QGNLVZOLIDWYBV-HNNXBMFYSA-N	0	3	305.447	2.942	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000594444130	398803925	/nfs/dbraw/zinc/80/39/25/398803925.db2.gz	LDSHXDOLDVAEET-RDJZCZTQSA-N	0	3	317.408	2.628	20	30		DFEDHN
C[C@@]1(CNC(=O)[C@@H](N)CCCCC#N)CCCc2ccccc21	ZINC000594444166	398803948	/nfs/dbraw/zinc/80/39/48/398803948.db2.gz	YQGZUCZWERRGNX-HKUYNNGSSA-N	0	3	313.445	2.808	20	30		DFEDHN
C[C@H]1c2c(F)cccc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594444011	398804155	/nfs/dbraw/zinc/80/41/55/398804155.db2.gz	JBTNQVTUPJYCHR-WFASDCNBSA-N	0	3	303.381	2.683	20	30		DFEDHN
CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594443434	398804235	/nfs/dbraw/zinc/80/42/35/398804235.db2.gz	HMOYFCCIWJXYEL-HUUCEWRRSA-N	0	3	309.360	2.943	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCc2cc(F)ccc21	ZINC000594444160	398803670	/nfs/dbraw/zinc/80/36/70/398803670.db2.gz	YKFOIGXCEMYFNH-CVEARBPZSA-N	0	3	303.381	2.731	20	30		DFEDHN
CCCN(CCc1cccs1)C(=O)[C@H](N)CCCCC#N	ZINC000594443507	398803709	/nfs/dbraw/zinc/80/37/09/398803709.db2.gz	PZPUOUJXGKPRRD-OAHLLOKOSA-N	0	3	307.463	2.940	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445105	398804934	/nfs/dbraw/zinc/80/49/34/398804934.db2.gz	PDHSMKDUTSOAJM-DQYPLSBCSA-N	0	3	317.408	2.977	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1F	ZINC000594447227	398805465	/nfs/dbraw/zinc/80/54/65/398805465.db2.gz	WAGBMZSSJYJYNL-LLVKDONJSA-N	0	3	315.295	2.777	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)CCCCC#N	ZINC000594446276	398804801	/nfs/dbraw/zinc/80/48/01/398804801.db2.gz	RRGKSTUNTAWRHG-KMFMINBZSA-N	0	3	317.408	2.941	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl	ZINC000594446490	398804865	/nfs/dbraw/zinc/80/48/65/398804865.db2.gz	ULXXSLUUPLWFMQ-CABCVRRESA-N	0	3	323.824	2.555	20	30		DFEDHN
CC1(C)CN(C(=O)[C@H](N)CCCCC#N)CC[C@@H]1C(F)(F)F	ZINC000594456512	398806461	/nfs/dbraw/zinc/80/64/61/398806461.db2.gz	PLLISNYKOPWXMP-NEPJUHHUSA-N	0	3	319.371	2.835	20	30		DFEDHN
CC(C)Oc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594456537	398806509	/nfs/dbraw/zinc/80/65/09/398806509.db2.gz	PYFNOQPXFMUFAU-MRXNPFEDSA-N	0	3	303.406	2.848	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)CCc2ccc(F)cc21	ZINC000594453168	398805939	/nfs/dbraw/zinc/80/59/39/398805939.db2.gz	LAHTUWZUHXBJPQ-SUMWQHHRSA-N	0	3	317.408	2.725	20	30		DFEDHN
C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)[C@H](N)c1ccccc1	ZINC000594453571	398806029	/nfs/dbraw/zinc/80/60/29/398806029.db2.gz	ZBPULGRJBAAVSQ-ACJLOTCBSA-N	0	3	305.381	2.737	20	30		DFEDHN
CCCNc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594469547	398807055	/nfs/dbraw/zinc/80/70/55/398807055.db2.gz	YRFHHMKVNCORGX-MRXNPFEDSA-N	0	3	302.422	2.536	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1	ZINC000594493446	398809002	/nfs/dbraw/zinc/80/90/02/398809002.db2.gz	OZFJEHQUGZEGCB-UHFFFAOYSA-N	0	3	307.397	2.876	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1	ZINC000594506610	398811958	/nfs/dbraw/zinc/81/19/58/398811958.db2.gz	DHBXVDDYFUXUDK-DLBZAZTESA-N	0	3	311.429	2.731	20	30		DFEDHN
CN(CC(=O)N(C)C1(C#N)CCCCC1)C(C1CC1)C1CC1	ZINC000050989572	398815016	/nfs/dbraw/zinc/81/50/16/398815016.db2.gz	DXMCSMVZNSUEDU-UHFFFAOYSA-N	0	3	303.450	2.792	20	30		DFEDHN
Cc1cnc(CCNCc2cnc3ccc(C#N)cn23)c(C)c1	ZINC000594522745	398816369	/nfs/dbraw/zinc/81/63/69/398816369.db2.gz	SDORHQJIGWOATH-UHFFFAOYSA-N	0	3	305.385	2.550	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)CSCc1ccc(C#N)cc1	ZINC000152001650	283306075	/nfs/dbraw/zinc/30/60/75/283306075.db2.gz	BKAOVLWNSVCQCP-UHFFFAOYSA-N	0	3	319.474	2.590	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@H]12	ZINC000594596968	398827501	/nfs/dbraw/zinc/82/75/01/398827501.db2.gz	BQCNBGSXZQFYTL-UONOGXRCSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594597995	398827514	/nfs/dbraw/zinc/82/75/14/398827514.db2.gz	FSTJVAYALLDFJP-ZFWWWQNUSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCCCCCNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000594577660	398823422	/nfs/dbraw/zinc/82/34/22/398823422.db2.gz	XZYUYZGAZLYEHR-UHFFFAOYSA-N	0	3	306.431	2.668	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000598504625	398825249	/nfs/dbraw/zinc/82/52/49/398825249.db2.gz	IOVXLWNAJWJPRN-FZKQIMNGSA-N	0	3	316.401	2.909	20	30		DFEDHN
CCC(C)(C)N1CCN(c2c(C#N)nnc3ccccc32)CC1	ZINC000594593841	398826285	/nfs/dbraw/zinc/82/62/85/398826285.db2.gz	DWUFGRFVHBJXKJ-UHFFFAOYSA-N	0	3	309.417	2.812	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC)cc2Cl)CC1	ZINC000594602631	398829297	/nfs/dbraw/zinc/82/92/97/398829297.db2.gz	YZFQLCYGUMEHEL-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CCCCCC#N	ZINC000598536176	398829309	/nfs/dbraw/zinc/82/93/09/398829309.db2.gz	NRISSGNGFQZZHX-INIZCTEOSA-N	0	3	321.465	2.562	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594604404	398829692	/nfs/dbraw/zinc/82/96/92/398829692.db2.gz	YZKSGGMZIWNPFO-CVEARBPZSA-N	0	3	300.362	2.895	20	30		DFEDHN
C[C@@H](O)CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1	ZINC000594613814	398833817	/nfs/dbraw/zinc/83/38/17/398833817.db2.gz	DRIPOBJGCWWHNZ-OAHLLOKOSA-N	0	3	324.428	2.809	20	30		DFEDHN
C=CCNC(=O)CN[C@H](c1ccc(Br)cc1)C1CC1	ZINC000180030332	199109466	/nfs/dbraw/zinc/10/94/66/199109466.db2.gz	ICZXECLEZQOTFN-HNNXBMFYSA-N	0	3	323.234	2.792	20	30		DFEDHN
CCn1cncc1[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598589778	398837138	/nfs/dbraw/zinc/83/71/38/398837138.db2.gz	JKYXZKCMNISIPV-CABCVRRESA-N	0	3	304.438	2.731	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000180073062	199115051	/nfs/dbraw/zinc/11/50/51/199115051.db2.gz	FWZRVUNIDJZOKO-IAQYHMDHSA-N	0	3	324.346	2.884	20	30		DFEDHN
COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000598599860	398839371	/nfs/dbraw/zinc/83/93/71/398839371.db2.gz	ACGOHXQGVRSEBF-IUODEOHRSA-N	0	3	312.360	2.543	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(=O)[nH]1	ZINC000076094873	398839862	/nfs/dbraw/zinc/83/98/62/398839862.db2.gz	QCUOTRGESHEHQL-LLVKDONJSA-N	0	3	301.371	2.753	20	30		DFEDHN
COc1cc(F)c([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602419	398839928	/nfs/dbraw/zinc/83/99/28/398839928.db2.gz	NRDRAXALEGQYJU-VXGBXAGGSA-N	0	3	324.396	2.794	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000598595433	398838503	/nfs/dbraw/zinc/83/85/03/398838503.db2.gz	SRJHKSLUUKFTPF-HNNXBMFYSA-N	0	3	324.428	2.953	20	30		DFEDHN
COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000598614067	398841539	/nfs/dbraw/zinc/84/15/39/398841539.db2.gz	NMIFSUQZKNTLQA-LSDHHAIUSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)C1(CO)CCC1	ZINC000598617605	398842129	/nfs/dbraw/zinc/84/21/29/398842129.db2.gz	KMEPXGDEABRTII-SJORKVTESA-N	0	3	316.445	2.781	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(CC(=O)N(C)C)CC2)c1	ZINC000180334375	199146943	/nfs/dbraw/zinc/14/69/43/199146943.db2.gz	UJVYFASYRSPPTI-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNC[C@H](c1ccco1)N1CCCCC1	ZINC000598703115	398858456	/nfs/dbraw/zinc/85/84/56/398858456.db2.gz	CKENYWDUPWHZGO-HZPDHXFCSA-N	0	3	319.449	2.697	20	30		DFEDHN
C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1CO	ZINC000598678350	398854226	/nfs/dbraw/zinc/85/42/26/398854226.db2.gz	WTJBJQZQPFCUIW-DOTOQJQBSA-N	0	3	302.418	2.819	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)cc2c1OCC2	ZINC000598725062	398862288	/nfs/dbraw/zinc/86/22/88/398862288.db2.gz	UTGUMNQUMDWKET-AWEZNQCLSA-N	0	3	308.809	2.665	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2c(F)cccc21	ZINC000598723095	398862428	/nfs/dbraw/zinc/86/24/28/398862428.db2.gz	DRDUUGAWLYKFDD-SWLSCSKDSA-N	0	3	306.381	2.930	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2cc(F)c(F)c(F)c21	ZINC000598726803	398862519	/nfs/dbraw/zinc/86/25/19/398862519.db2.gz	BZYRSLRFSHXOIO-JQWIXIFHSA-N	0	3	312.335	2.982	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2cc(F)ccc21	ZINC000598725618	398862672	/nfs/dbraw/zinc/86/26/72/398862672.db2.gz	XOATVDWOWLWWFW-DZGCQCFKSA-N	0	3	306.381	2.930	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)NC[C@@H]2CN(C)CCO2)cc1	ZINC000180487140	199165160	/nfs/dbraw/zinc/16/51/60/199165160.db2.gz	ZZAZNFODFXJKIH-RHSMWYFYSA-N	0	3	324.852	2.799	20	30		DFEDHN
CCCCOc1ncccc1CNC[C@@H](O)CC(C)(C)C#N	ZINC000598720744	398861567	/nfs/dbraw/zinc/86/15/67/398861567.db2.gz	QKRNGHCCNDZBAW-HNNXBMFYSA-N	0	3	305.422	2.651	20	30		DFEDHN
CC(C#N)C(=O)NCC(F)(F)c1ccc(Br)cc1	ZINC000598780536	398872987	/nfs/dbraw/zinc/87/29/87/398872987.db2.gz	HDSIZPPBQJPYLM-MRVPVSSYSA-N	0	3	317.133	2.817	20	30		DFEDHN
COCc1csc(CNCCOc2ccc(C#N)cc2)c1	ZINC000594929664	398874229	/nfs/dbraw/zinc/87/42/29/398874229.db2.gz	MLJFTCWHLAWOEX-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
C[C@H]1CN(C)c2ccccc2CN1C[C@@H](O)CC(C)(C)C#N	ZINC000598797270	398874476	/nfs/dbraw/zinc/87/44/76/398874476.db2.gz	JVZLFQKSGFIEHC-HOCLYGCPSA-N	0	3	301.434	2.628	20	30		DFEDHN
COC[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCO1	ZINC000594939166	398876764	/nfs/dbraw/zinc/87/67/64/398876764.db2.gz	QJDWTGJNFHFIEZ-DLBZAZTESA-N	0	3	300.402	2.525	20	30		DFEDHN
COCC[C@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOC1	ZINC000594939879	398876892	/nfs/dbraw/zinc/87/68/92/398876892.db2.gz	UKIXSRLNEJGGJG-SFHVURJKSA-N	0	3	300.402	2.527	20	30		DFEDHN
C=CCCSCCNCc1cn(C)nc1-c1ccncc1	ZINC000594960011	398881661	/nfs/dbraw/zinc/88/16/61/398881661.db2.gz	HYWYRZRYBDYEOV-UHFFFAOYSA-N	0	3	302.447	2.881	20	30		DFEDHN
CC(=O)NCc1ccc(CNCc2ccc(C#N)c(C)c2)cc1	ZINC000594951060	398879460	/nfs/dbraw/zinc/87/94/60/398879460.db2.gz	MXOKMZRVKNJPDC-UHFFFAOYSA-N	0	3	307.397	2.793	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1=O	ZINC000594950715	398879778	/nfs/dbraw/zinc/87/97/78/398879778.db2.gz	PFQSHZPTGUYYMO-MRXNPFEDSA-N	0	3	311.429	2.731	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NC(=O)C2Oc3ccccc3O[C@@H]2C)n1	ZINC000598854406	398884753	/nfs/dbraw/zinc/88/47/53/398884753.db2.gz	RNVBIPOQWDUDNM-WBMJQRKESA-N	0	3	323.352	2.737	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(C(F)(F)F)c1	ZINC000594988274	398887349	/nfs/dbraw/zinc/88/73/49/398887349.db2.gz	OPCGXBNQSOBBLA-UONOGXRCSA-N	0	3	310.319	2.970	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCN1C	ZINC000139748577	398886358	/nfs/dbraw/zinc/88/63/58/398886358.db2.gz	HDQZQUPLVVHIII-HNNXBMFYSA-N	0	3	305.397	2.618	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000280728020	215823754	/nfs/dbraw/zinc/82/37/54/215823754.db2.gz	VOPPONURBGDDOG-INIZCTEOSA-N	0	3	323.396	2.854	20	30		DFEDHN
COc1cc(CNCC2(O)CCC(F)(F)CC2)ccc1C#N	ZINC000595001165	398889358	/nfs/dbraw/zinc/88/93/58/398889358.db2.gz	RCNPWFMRCBWQNR-UHFFFAOYSA-N	0	3	310.344	2.597	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN[C@H]3C[C@H](O)C3)c2)c1	ZINC000595000975	398889425	/nfs/dbraw/zinc/88/94/25/398889425.db2.gz	OFDAHHYCVQBCJQ-IYARVYRRSA-N	0	3	308.381	2.750	20	30		DFEDHN
COC[C@H](CC1CCOCC1)NCc1ccc(C#N)cc1F	ZINC000595010868	398890997	/nfs/dbraw/zinc/89/09/97/398890997.db2.gz	JNRWHVLIRHYKSM-INIZCTEOSA-N	0	3	306.381	2.619	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)cc1	ZINC000598988967	398904418	/nfs/dbraw/zinc/90/44/18/398904418.db2.gz	WZRLGSIGZSIILO-JKSUJKDBSA-N	0	3	324.384	2.829	20	30		DFEDHN
N#Cc1ccc(CCNC(=O)Nc2ccc3c(c2)CNCC3)cc1	ZINC000595232590	398911487	/nfs/dbraw/zinc/91/14/87/398911487.db2.gz	DQURZTRUKYCDSU-UHFFFAOYSA-N	0	3	320.396	2.568	20	30		DFEDHN
N#Cc1ccc(CCNC(=O)Nc2cccc3c2CCNC3)cc1	ZINC000595232645	398911549	/nfs/dbraw/zinc/91/15/49/398911549.db2.gz	GTXFEIKMCZKGKR-UHFFFAOYSA-N	0	3	320.396	2.568	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N(Cc1ccccc1F)CC1CC1	ZINC000595259120	398913677	/nfs/dbraw/zinc/91/36/77/398913677.db2.gz	YFNQLQLXMOPIKK-INIZCTEOSA-N	0	3	303.381	2.585	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCCCN1CCc2ccccc2C1	ZINC000599045862	398912494	/nfs/dbraw/zinc/91/24/94/398912494.db2.gz	SOTRUHFKXGWEIF-UHFFFAOYSA-N	0	3	313.445	2.881	20	30		DFEDHN
CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)CCc2ccccc21	ZINC000595257736	398913306	/nfs/dbraw/zinc/91/33/06/398913306.db2.gz	VTFOHHYIEXEUIE-KRWDZBQOSA-N	0	3	313.445	2.760	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000595287345	398916209	/nfs/dbraw/zinc/91/62/09/398916209.db2.gz	QFYBQICDGNFTIO-QGZVFWFLSA-N	0	3	308.381	2.873	20	30		DFEDHN
COc1cccc(C2(NC(=O)[C@@H](N)CCCCC#N)CCC2)c1	ZINC000595260111	398914234	/nfs/dbraw/zinc/91/42/34/398914234.db2.gz	VDRLVJRYKDHFRC-INIZCTEOSA-N	0	3	315.417	2.602	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@H]1CCN1C1CCCC1	ZINC000599059862	398914971	/nfs/dbraw/zinc/91/49/71/398914971.db2.gz	OHULDCZBGQFUPD-OAHLLOKOSA-N	0	3	306.454	2.632	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000054981052	398915374	/nfs/dbraw/zinc/91/53/74/398915374.db2.gz	AREAXBQEODLOKJ-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
CCCN(CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595289529	398917014	/nfs/dbraw/zinc/91/70/14/398917014.db2.gz	DSKORCJUXANTFV-IAGOWNOFSA-N	0	3	315.461	2.879	20	30		DFEDHN
CC[C@H](CC(F)F)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000595290927	398917069	/nfs/dbraw/zinc/91/70/69/398917069.db2.gz	NVGIWLAIBHBLBS-CYBMUJFWSA-N	0	3	308.376	2.757	20	30		DFEDHN
CC(C)(C)n1nnc(CCN(Cc2ccc(C#N)cc2)C2CC2)n1	ZINC000595296350	398918020	/nfs/dbraw/zinc/91/80/20/398918020.db2.gz	BATJZISGSLRSCM-UHFFFAOYSA-N	0	3	324.432	2.507	20	30		DFEDHN
CN([C@H](C#N)c1ccccc1)C1CCN(CCn2cccn2)CC1	ZINC000595310012	398921242	/nfs/dbraw/zinc/92/12/42/398921242.db2.gz	QIJBEFWOQYCMOI-LJQANCHMSA-N	0	3	323.444	2.544	20	30		DFEDHN
C=C(Cl)CNC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000077790997	398925147	/nfs/dbraw/zinc/92/51/47/398925147.db2.gz	HRPRYKXGFCEAGB-UHFFFAOYSA-N	0	3	321.852	2.965	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000077792083	398925263	/nfs/dbraw/zinc/92/52/63/398925263.db2.gz	LVYIBZYACZWFIW-HNNXBMFYSA-N	0	3	307.825	2.875	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000077792084	398925520	/nfs/dbraw/zinc/92/55/20/398925520.db2.gz	LVYIBZYACZWFIW-OAHLLOKOSA-N	0	3	307.825	2.875	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](c2ccc(OC)cc2)C(C)C)C1=O	ZINC000282101564	334989546	/nfs/dbraw/zinc/98/95/46/334989546.db2.gz	WCYLPSGDNYKHBU-SJORKVTESA-N	0	3	302.418	2.769	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cc(OC)ccc3[nH]2)CC1	ZINC000189254817	200370693	/nfs/dbraw/zinc/37/06/93/200370693.db2.gz	TVMLMLUVSWKRMH-UHFFFAOYSA-N	0	3	313.401	2.557	20	30		DFEDHN
CO[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C	ZINC000189372511	200388438	/nfs/dbraw/zinc/38/84/38/200388438.db2.gz	UFZAJFFJVGBVFX-KDOFPFPSSA-N	0	3	324.428	2.816	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@@H]2c2cccs2)CCOCC1	ZINC000599253253	398943426	/nfs/dbraw/zinc/94/34/26/398943426.db2.gz	GELJKVVAZCMXGH-LSDHHAIUSA-N	0	3	320.458	2.956	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000595466425	398944663	/nfs/dbraw/zinc/94/46/63/398944663.db2.gz	LAYCFFOOCGVMDH-IBGZPJMESA-N	0	3	307.397	2.787	20	30		DFEDHN
CN(Cc1cccc(Br)c1)C[C@H](O)CC1(C#N)CC1	ZINC000599269115	398945779	/nfs/dbraw/zinc/94/57/79/398945779.db2.gz	NXXZILHINBCBRH-CQSZACIVSA-N	0	3	323.234	2.936	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)[C@H](C#N)c2ccc(Cl)cc2)N(C)C1	ZINC000595478521	398946981	/nfs/dbraw/zinc/94/69/81/398946981.db2.gz	FRLUXVHMWWSXBS-HRCADAONSA-N	0	3	307.825	2.556	20	30		DFEDHN
CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599278419	398947415	/nfs/dbraw/zinc/94/74/15/398947415.db2.gz	CRPRBYUYBJSRLD-KRWDZBQOSA-N	0	3	313.445	2.995	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@@H](Oc3ccccc3)C2)CC1	ZINC000599292865	398949200	/nfs/dbraw/zinc/94/92/00/398949200.db2.gz	JCNOGKSMFRKUNX-NVXWUHKLSA-N	0	3	300.402	2.585	20	30		DFEDHN
Cn1cc([C@H](NCCCCC(C)(C)C#N)C2(CO)CCC2)cn1	ZINC000595492273	398949822	/nfs/dbraw/zinc/94/98/22/398949822.db2.gz	FWBNKTYMMQYNBU-INIZCTEOSA-N	0	3	318.465	2.933	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C)c(C#N)c1)CC2	ZINC000599300306	398950497	/nfs/dbraw/zinc/95/04/97/398950497.db2.gz	WJEHJLNGMOXESY-QZTJIDSGSA-N	0	3	314.429	2.619	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCS[C@H](c3ccccc3)C2)CC1	ZINC000599301352	398950760	/nfs/dbraw/zinc/95/07/60/398950760.db2.gz	DCBLTNWELLDMAF-HOTGVXAUSA-N	0	3	302.443	2.831	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000595507967	398952991	/nfs/dbraw/zinc/95/29/91/398952991.db2.gz	SIQAMEPEFGZGIF-JKSUJKDBSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@H](Oc3ccccc3Cl)C2)CC1	ZINC000599336181	398956114	/nfs/dbraw/zinc/95/61/14/398956114.db2.gz	IEQMOSSGFZQGGX-KGLIPLIRSA-N	0	3	320.820	2.848	20	30		DFEDHN
C[C@H](NCCOc1ncccc1F)c1ccc(C#N)c(F)c1	ZINC000271963235	209343324	/nfs/dbraw/zinc/34/33/24/209343324.db2.gz	RTAVWVUMLHODNL-NSHDSACASA-N	0	3	303.312	2.961	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1	ZINC000599344262	398957066	/nfs/dbraw/zinc/95/70/66/398957066.db2.gz	BGGYDJJWPISCSK-GXTWGEPZSA-N	0	3	324.371	2.687	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599341967	398957079	/nfs/dbraw/zinc/95/70/79/398957079.db2.gz	FZFDQKUXIIPFAF-MRXNPFEDSA-N	0	3	306.450	2.736	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)NC1(CN(C)C)CCC1	ZINC000281362870	216247617	/nfs/dbraw/zinc/24/76/17/216247617.db2.gz	MDYLKEGURZFKCA-UHFFFAOYSA-N	0	3	316.405	2.563	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1nc(C)cs1	ZINC000599359233	398961841	/nfs/dbraw/zinc/96/18/41/398961841.db2.gz	LXUGGGSMKYYQGV-ZIAGYGMSSA-N	0	3	323.462	2.564	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)CCc1nnn(C(C)(C)C)n1	ZINC000595549169	398966068	/nfs/dbraw/zinc/96/60/68/398966068.db2.gz	IDSOCTZFEQJRAY-ZDUSSCGKSA-N	0	3	312.421	2.535	20	30		DFEDHN
C=CC[C@@H]1N(Cc2cnc(C(=O)OC)cn2)CCCC1(C)C	ZINC000599384943	398969771	/nfs/dbraw/zinc/96/97/71/398969771.db2.gz	DJDGRRPBNJBUNJ-HNNXBMFYSA-N	0	3	303.406	2.830	20	30		DFEDHN
COC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000599395368	398972635	/nfs/dbraw/zinc/97/26/35/398972635.db2.gz	HLMAHZICLUAIAN-CABCVRRESA-N	0	3	308.809	2.672	20	30		DFEDHN
CN1CCN(CCc2ccc(C#N)cc2)[C@@H](Cc2ccccc2)C1	ZINC000595563976	398972954	/nfs/dbraw/zinc/97/29/54/398972954.db2.gz	OVFUPCDMHUMUQX-NRFANRHFSA-N	0	3	319.452	2.959	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000271875079	209286186	/nfs/dbraw/zinc/28/61/86/209286186.db2.gz	NXYOPDRJSMRUSB-HNNXBMFYSA-N	0	3	307.397	2.947	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(C[C@@H]3CCC=CO3)CC2)cc1	ZINC000193650272	201096564	/nfs/dbraw/zinc/09/65/64/201096564.db2.gz	WAIABFSGOHDNMJ-IBGZPJMESA-N	0	3	311.429	2.759	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccnc(C#N)c1	ZINC000193677330	201101886	/nfs/dbraw/zinc/10/18/86/201101886.db2.gz	BALABLDIUFRPIA-UHFFFAOYSA-N	0	3	322.412	2.594	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000595568255	398976435	/nfs/dbraw/zinc/97/64/35/398976435.db2.gz	UBPJECPFMVAGNH-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CCC[C@H]2C#N)CC1	ZINC000599417257	398976463	/nfs/dbraw/zinc/97/64/63/398976463.db2.gz	SXILGHPHHWSNET-DIODGJHASA-N	0	3	322.449	2.531	20	30		DFEDHN
CC(C)(NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599425369	398978532	/nfs/dbraw/zinc/97/85/32/398978532.db2.gz	DFYOOKDEGBGUEB-CQSZACIVSA-N	0	3	320.408	2.722	20	30		DFEDHN
CC[C@H](C)C[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163102349	398985093	/nfs/dbraw/zinc/98/50/93/398985093.db2.gz	USYJWSFECHCUPZ-UONOGXRCSA-N	0	3	308.447	2.746	20	30		DFEDHN
Cc1cc(OC[C@@H](O)CN(C)Cc2ccccc2)ccc1C#N	ZINC000618060338	398991998	/nfs/dbraw/zinc/99/19/98/398991998.db2.gz	LPNXDDQVSQYECK-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccn1	ZINC000195079483	201336734	/nfs/dbraw/zinc/33/67/34/201336734.db2.gz	ZLSSJDSKDIXWLS-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)C2CCC2)c(Br)c1	ZINC000595614428	399001403	/nfs/dbraw/zinc/00/14/03/399001403.db2.gz	CAHKZEWJGTXNJW-CQSZACIVSA-N	0	3	309.207	2.571	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(C#N)cc1	ZINC000275514821	212386420	/nfs/dbraw/zinc/38/64/20/212386420.db2.gz	UBDOTQWIXDDNCI-CQSZACIVSA-N	0	3	314.433	2.745	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCCC2(CCCC2)CC1	ZINC000595641096	399014899	/nfs/dbraw/zinc/01/48/99/399014899.db2.gz	ALIZYXNQIDMUQI-UHFFFAOYSA-N	0	3	316.449	2.689	20	30		DFEDHN
N#CC1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1	ZINC000595656134	399023496	/nfs/dbraw/zinc/02/34/96/399023496.db2.gz	OFSABKRDQVJFGG-CVEARBPZSA-N	0	3	318.465	2.777	20	30		DFEDHN
CC(C)(C)CCN1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000079215770	399025266	/nfs/dbraw/zinc/02/52/66/399025266.db2.gz	NZRXNSGITJQKLD-UHFFFAOYSA-N	0	3	315.461	2.991	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@]1(CO)CCCC(C)(C)C1	ZINC000599594922	399025580	/nfs/dbraw/zinc/02/55/80/399025580.db2.gz	NBFZDPWYCZCIRS-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000595661080	399024765	/nfs/dbraw/zinc/02/47/65/399024765.db2.gz	HXFRWCCOTYNAGC-MRXNPFEDSA-N	0	3	314.433	2.572	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1cc(C)ccc1C	ZINC000599640157	399039054	/nfs/dbraw/zinc/03/90/54/399039054.db2.gz	DYPRMBIHSMMRLB-GOEBONIOSA-N	0	3	317.433	2.744	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1cc(C)ccc1C	ZINC000599640159	399039259	/nfs/dbraw/zinc/03/92/59/399039259.db2.gz	DYPRMBIHSMMRLB-ZBFHGGJFSA-N	0	3	317.433	2.744	20	30		DFEDHN
CN(C)[C@H](CNC(=O)C1(C#N)CCCCC1)Cc1ccccc1	ZINC000057419569	399041584	/nfs/dbraw/zinc/04/15/84/399041584.db2.gz	VWWVUIFMPLNBAI-KRWDZBQOSA-N	0	3	313.445	2.750	20	30		DFEDHN
C=CCC1(NC(=O)C[C@@H](c2ccccc2)N(C)C)CCOCC1	ZINC000618250706	399051921	/nfs/dbraw/zinc/05/19/21/399051921.db2.gz	LJBUSDGKZLFVAS-KRWDZBQOSA-N	0	3	316.445	2.921	20	30		DFEDHN
COc1ccc([C@H]2CCN(C[C@H](O)CC(C)(C)C#N)C2)cc1F	ZINC000599675797	399056874	/nfs/dbraw/zinc/05/68/74/399056874.db2.gz	OTOWDBQSYBRITC-LSDHHAIUSA-N	0	3	320.408	2.924	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1OC	ZINC000621738555	399058542	/nfs/dbraw/zinc/05/85/42/399058542.db2.gz	JMSKGYVRRFOGEK-HOCLYGCPSA-N	0	3	305.418	2.710	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000600469483	399058810	/nfs/dbraw/zinc/05/88/10/399058810.db2.gz	BNFPYUOEAQPVFE-NOZJJQNGSA-N	0	3	314.216	2.872	20	30		DFEDHN
CCC[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000079609427	399065366	/nfs/dbraw/zinc/06/53/66/399065366.db2.gz	PTJOATFIKCTVKU-ROUUACIJSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000271762775	209192217	/nfs/dbraw/zinc/19/22/17/209192217.db2.gz	MOTBWVIJUAZHRE-TZMCWYRMSA-N	0	3	309.406	2.690	20	30		DFEDHN
CC[C@H](NCCCSCC#N)c1nnc2n1CCCCC2	ZINC000595799075	399089361	/nfs/dbraw/zinc/08/93/61/399089361.db2.gz	CEEZOXCWXPRXHM-ZDUSSCGKSA-N	0	3	307.467	2.692	20	30		DFEDHN
CCN(C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)C#N	ZINC000595819488	399098612	/nfs/dbraw/zinc/09/86/12/399098612.db2.gz	BPDNNAIFALRGLY-SJLPKXTDSA-N	0	3	301.434	2.511	20	30		DFEDHN
CC(C(=O)Nc1ncccc1OCCCC#N)C(F)(F)F	ZINC000079939218	399098766	/nfs/dbraw/zinc/09/87/66/399098766.db2.gz	XKNFFVMIZRAMTQ-VIFPVBQESA-N	0	3	301.268	2.901	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3cc(F)ccc32)CC1	ZINC000283657434	335007570	/nfs/dbraw/zinc/00/75/70/335007570.db2.gz	KKIMCZVJLCJDFU-UHFFFAOYSA-N	0	3	317.408	2.938	20	30		DFEDHN
CC(=O)Nc1ccc(CNCCOc2ccc(C#N)cc2)cc1	ZINC000174557712	399114613	/nfs/dbraw/zinc/11/46/13/399114613.db2.gz	NWUOIYFZYRRJIY-UHFFFAOYSA-N	0	3	309.369	2.685	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCCC[C@@H]1CC1CCC1	ZINC000595865605	399116361	/nfs/dbraw/zinc/11/63/61/399116361.db2.gz	BZLSJVZUMUZIIM-QGZVFWFLSA-N	0	3	316.449	2.687	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(F)cc2C(F)(F)F)CC1	ZINC000600718444	399123238	/nfs/dbraw/zinc/12/32/38/399123238.db2.gz	PVWKMMOEQLIQCR-LBPRGKRZSA-N	0	3	316.298	2.989	20	30		DFEDHN
C=CCc1cc(CN(CCC(=O)OC)C(C)C)cc(OC)c1O	ZINC000093383942	193241513	/nfs/dbraw/zinc/24/15/13/193241513.db2.gz	BIQPVZVRLHZOJH-UHFFFAOYSA-N	0	3	321.417	2.903	20	30		DFEDHN
CCCC(=O)Nc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1	ZINC000600717551	399123112	/nfs/dbraw/zinc/12/31/12/399123112.db2.gz	QTCBYSRCUKMXRQ-MRXNPFEDSA-N	0	3	315.417	2.570	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@@H](COCCOC)C2)cc1	ZINC000093755064	193299431	/nfs/dbraw/zinc/29/94/31/193299431.db2.gz	XYCHHVZDZPVMQS-GOSISDBHSA-N	0	3	317.429	2.574	20	30		DFEDHN
Cc1ccc(Br)cc1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600733960	399129068	/nfs/dbraw/zinc/12/90/68/399129068.db2.gz	MAVLSBHFSOEUTJ-AWEZNQCLSA-N	0	3	323.234	2.902	20	30		DFEDHN
Cc1cccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1	ZINC000179586744	399129800	/nfs/dbraw/zinc/12/98/00/399129800.db2.gz	WKLYZFNWNGRBBK-SFHVURJKSA-N	0	3	301.434	2.874	20	30		DFEDHN
Cc1ccc([C@H](CNc2nccnc2C#N)N2CCCC2)cc1	ZINC000263953264	203652342	/nfs/dbraw/zinc/65/23/42/203652342.db2.gz	ZYIKDGWFGCBZTD-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
Cn1nccc1[C@H]1CCCN(CCOc2ccccc2C#N)C1	ZINC000060479150	399132808	/nfs/dbraw/zinc/13/28/08/399132808.db2.gz	VMHYPZSFFSAKFC-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C	ZINC000263983845	203665336	/nfs/dbraw/zinc/66/53/36/203665336.db2.gz	HBZFXMOQBDSPAG-ZDUSSCGKSA-N	0	3	305.381	2.928	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000600744833	399134127	/nfs/dbraw/zinc/13/41/27/399134127.db2.gz	MVJBBNIJFWCGRU-JKSUJKDBSA-N	0	3	322.412	2.504	20	30		DFEDHN
N#Cc1ccc(CN2CCNC[C@H]2c2cccc(Cl)c2)o1	ZINC000600769785	399141367	/nfs/dbraw/zinc/14/13/67/399141367.db2.gz	RAWIMDWDCAZJCP-INIZCTEOSA-N	0	3	301.777	2.951	20	30		DFEDHN
CC(C)(NC(=O)c1cccc2c1CCNC2)c1cccc(C#N)c1	ZINC000595959230	399140839	/nfs/dbraw/zinc/14/08/39/399140839.db2.gz	BSTSVIGSHXMKDM-UHFFFAOYSA-N	0	3	319.408	2.869	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3cc(C)ccc32)CC1	ZINC000264452266	203935172	/nfs/dbraw/zinc/93/51/72/203935172.db2.gz	YUOXVFOZBDWICH-SFHVURJKSA-N	0	3	313.445	2.932	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCN(CCOC)C2)cc1Cl	ZINC000264661088	204060105	/nfs/dbraw/zinc/06/01/05/204060105.db2.gz	YVJLZPSSGGPZPF-HNNXBMFYSA-N	0	3	324.852	2.715	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCC23CC3)cc1	ZINC000600805423	399152273	/nfs/dbraw/zinc/15/22/73/399152273.db2.gz	RTNPSRGULMNQSD-DLBZAZTESA-N	0	3	307.397	2.937	20	30		DFEDHN
C[C@](C#N)(NC(=O)CNC1(c2ccccc2)CCCC1)C1CC1	ZINC000183536864	399153868	/nfs/dbraw/zinc/15/38/68/399153868.db2.gz	UEPXTWHSIVZOIE-GOSISDBHSA-N	0	3	311.429	2.854	20	30		DFEDHN
CN(CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1	ZINC000600819039	399154403	/nfs/dbraw/zinc/15/44/03/399154403.db2.gz	QIVMHHDATZIOBH-UHFFFAOYSA-N	0	3	309.413	2.658	20	30		DFEDHN
CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000596048908	399154521	/nfs/dbraw/zinc/15/45/21/399154521.db2.gz	GGFWDPDLPNQOBS-GFCCVEGCSA-N	0	3	313.323	2.653	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3cc(C#N)cnn3)c(C)c2)CC1	ZINC000596056199	399157812	/nfs/dbraw/zinc/15/78/12/399157812.db2.gz	ZHUVZHZBYWJRGJ-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1	ZINC000264949701	204296287	/nfs/dbraw/zinc/29/62/87/204296287.db2.gz	KDQBSYMXDZJLHZ-LBPRGKRZSA-N	0	3	301.308	2.756	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H](CNCc1ccc(C#N)o1)C1CCC1	ZINC000596063987	399159968	/nfs/dbraw/zinc/15/99/68/399159968.db2.gz	QGXZFWXTFWLSIF-HNNXBMFYSA-N	0	3	304.390	2.999	20	30		DFEDHN
C=CCN1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1	ZINC000080616682	399164035	/nfs/dbraw/zinc/16/40/35/399164035.db2.gz	GCPBIFSXNVWTST-UHFFFAOYSA-N	0	3	309.341	2.805	20	30		DFEDHN
Cc1cc(NCCN2CCC(C)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596078484	399165838	/nfs/dbraw/zinc/16/58/38/399165838.db2.gz	QYRRVMZNMQJQSG-UHFFFAOYSA-N	0	3	302.378	2.919	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCN(C4CC4)C3)c2c1	ZINC000596086949	399168513	/nfs/dbraw/zinc/16/85/13/399168513.db2.gz	CRQQZDBHQZJYHG-HNNXBMFYSA-N	0	3	306.413	2.794	20	30		DFEDHN
COC(=O)[C@@]1(C)CCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614171604	399169191	/nfs/dbraw/zinc/16/91/91/399169191.db2.gz	SZYZRWKKAKIZBQ-SFHVURJKSA-N	0	3	300.402	2.873	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC(OCCCO)CC2)cc1	ZINC000614171609	399169339	/nfs/dbraw/zinc/16/93/39/399169339.db2.gz	UHNDPIUIWRAHSO-UHFFFAOYSA-N	0	3	316.445	2.851	20	30		DFEDHN
COC[C@](C)(CC(=O)OC)NCc1ccc(C(C)(C)C#N)cc1	ZINC000614175926	399170339	/nfs/dbraw/zinc/17/03/39/399170339.db2.gz	QOCPHIDSSNNUHK-SFHVURJKSA-N	0	3	318.417	2.546	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000607538299	399173599	/nfs/dbraw/zinc/17/35/99/399173599.db2.gz	ZNGXUNDQDKHBQZ-YOEHRIQHSA-N	0	3	322.474	2.840	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1C#N	ZINC000282693531	217180609	/nfs/dbraw/zinc/18/06/09/217180609.db2.gz	JCBOBOSCRMDUJE-MRXNPFEDSA-N	0	3	323.444	2.809	20	30		DFEDHN
C#CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000271715094	209149508	/nfs/dbraw/zinc/14/95/08/209149508.db2.gz	PCSHWTZWWLQYRQ-ICSRJNTNSA-N	0	3	320.392	2.652	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1	ZINC000288278835	220059405	/nfs/dbraw/zinc/05/94/05/220059405.db2.gz	QDOPJLFHUYIVJC-BEFAXECRSA-N	0	3	319.408	2.951	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000596143795	399188841	/nfs/dbraw/zinc/18/88/41/399188841.db2.gz	AGQZWVFOIAMHQO-SWLSCSKDSA-N	0	3	315.446	2.848	20	30		DFEDHN
C=CCOc1cccc(CN2CCOCC3(CCOCC3)C2)c1	ZINC000183274431	335018723	/nfs/dbraw/zinc/01/87/23/335018723.db2.gz	GVQJHAQIRSZRCI-UHFFFAOYSA-N	0	3	317.429	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)CC1	ZINC000266452552	205357291	/nfs/dbraw/zinc/35/72/91/205357291.db2.gz	BZRKNCGWVFPPRK-WMZOPIPTSA-N	0	3	313.445	2.567	20	30		DFEDHN
N#Cc1ccnc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1	ZINC000282891962	217304717	/nfs/dbraw/zinc/30/47/17/217304717.db2.gz	GELJETUYFRKEHA-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
N#Cc1ccnc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1	ZINC000282891959	217305883	/nfs/dbraw/zinc/30/58/83/217305883.db2.gz	GELJETUYFRKEHA-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
CCO[C@H]1COCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000614326865	399207445	/nfs/dbraw/zinc/20/74/45/399207445.db2.gz	UNDNDIDRYBEUJI-IRXDYDNUSA-N	0	3	302.418	2.771	20	30		DFEDHN
CN(C)CCN(C(=O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000063829527	399209899	/nfs/dbraw/zinc/20/98/99/399209899.db2.gz	RNJQSDADJIZEIN-UHFFFAOYSA-N	0	3	323.396	2.532	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(Cl)cc1	ZINC000283012506	217386761	/nfs/dbraw/zinc/38/67/61/217386761.db2.gz	SCHHOVMMQCLEOG-OAHLLOKOSA-N	0	3	316.792	2.572	20	30		DFEDHN
C=CCCCN1CC[C@@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000607967297	399217696	/nfs/dbraw/zinc/21/76/96/399217696.db2.gz	ZWVJJHSADGFDHH-OAHLLOKOSA-N	0	3	320.437	2.582	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1	ZINC000064311912	399219671	/nfs/dbraw/zinc/21/96/71/399219671.db2.gz	HOXUZNVLTAIYNZ-WTQAEKLLSA-N	0	3	317.433	2.517	20	30		DFEDHN
Cc1cc(C)n2c(CN[C@H]3CCc4cc(C#N)ccc43)cnc2n1	ZINC000618742118	399226983	/nfs/dbraw/zinc/22/69/83/399226983.db2.gz	JVNFTTKQZDBEQE-SFHVURJKSA-N	0	3	317.396	2.995	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000618767533	399232698	/nfs/dbraw/zinc/23/26/98/399232698.db2.gz	LUTLJQIASZXLPT-IRXDYDNUSA-N	0	3	300.402	2.533	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc(C#N)c2ccsc21	ZINC000601126542	399234971	/nfs/dbraw/zinc/23/49/71/399234971.db2.gz	SYNQWKRJROZDCZ-BXUZGUMPSA-N	0	3	300.431	2.944	20	30		DFEDHN
C=C(C)CN1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267739599	206251788	/nfs/dbraw/zinc/25/17/88/206251788.db2.gz	OBPVRASEOMQTIX-AWEZNQCLSA-N	0	3	309.479	2.934	20	30		DFEDHN
C=CCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1	ZINC000267915962	206335930	/nfs/dbraw/zinc/33/59/30/206335930.db2.gz	AUALNKOJYFKNGZ-UHFFFAOYSA-N	0	3	302.418	2.796	20	30		DFEDHN
C[C@@H](NCCOCC(=O)OC(C)(C)C)c1cccc(C#N)c1	ZINC000601295338	399272117	/nfs/dbraw/zinc/27/21/17/399272117.db2.gz	UIJPSOLTQBHKOQ-CYBMUJFWSA-N	0	3	304.390	2.567	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(F)c(C)c2)CC1	ZINC000267943684	206350819	/nfs/dbraw/zinc/35/08/19/206350819.db2.gz	IQSRRZRASPVRLK-CQSZACIVSA-N	0	3	302.393	2.657	20	30		DFEDHN
CCO[C@@H]1C[C@H](N2CCN(CCC#N)CC2)C12CCCCC2	ZINC000601316168	399276296	/nfs/dbraw/zinc/27/62/96/399276296.db2.gz	UODHNWNMCUEOGA-DLBZAZTESA-N	0	3	305.466	2.646	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OC	ZINC000601549916	399299114	/nfs/dbraw/zinc/29/91/14/399299114.db2.gz	XKULEARYRWMFRP-AWEZNQCLSA-N	0	3	319.405	2.834	20	30		DFEDHN
N#CCSCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000609017783	399302828	/nfs/dbraw/zinc/30/28/28/399302828.db2.gz	GUZJQGQTYBPPOQ-INIZCTEOSA-N	0	3	317.458	2.587	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000609163703	399307883	/nfs/dbraw/zinc/30/78/83/399307883.db2.gz	VIOIESZWYBQMIM-HNNXBMFYSA-N	0	3	324.428	2.627	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)c1cc2ccccc2n1CC#N	ZINC000609187704	399308121	/nfs/dbraw/zinc/30/81/21/399308121.db2.gz	IMZSUZQVQFEJNB-UHFFFAOYSA-N	0	3	312.417	2.579	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)Nc2cccc(C#N)c2)c1	ZINC000043329313	183355021	/nfs/dbraw/zinc/35/50/21/183355021.db2.gz	KQSFPUVUZPLVJD-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
N#CCc1ccccc1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000601679436	399319946	/nfs/dbraw/zinc/31/99/46/399319946.db2.gz	JBXCXTQJGKYANY-QGZVFWFLSA-N	0	3	311.429	2.889	20	30		DFEDHN
Cc1cc(Br)c2c(c1)CCN(C(=O)C(C)C#N)C2	ZINC000601696006	399323236	/nfs/dbraw/zinc/32/32/36/399323236.db2.gz	KTYLXVFRYUZLDI-SNVBAGLBSA-N	0	3	307.191	2.802	20	30		DFEDHN
C[C@@H](C#N)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1	ZINC000601706514	399325739	/nfs/dbraw/zinc/32/57/39/399325739.db2.gz	XHKFUZGIAUEVNG-GWCFXTLKSA-N	0	3	313.323	2.584	20	30		DFEDHN
CN1CCC(N(C(=O)c2ccc(C#N)nc2)c2ccccc2)CC1	ZINC000609642386	399328556	/nfs/dbraw/zinc/32/85/56/399328556.db2.gz	BQFHCNSLEQUNET-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1cccc(C#N)c1	ZINC000271873231	209287217	/nfs/dbraw/zinc/28/72/17/209287217.db2.gz	NHJAVAQDXLQTIR-ZOCIIQOWSA-N	0	3	310.397	2.693	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000609877826	399334820	/nfs/dbraw/zinc/33/48/20/399334820.db2.gz	PLNAERCPZYXMTJ-MRXNPFEDSA-N	0	3	324.428	2.769	20	30		DFEDHN
CC(=O)Nc1ccn([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)n1	ZINC000615446228	399337995	/nfs/dbraw/zinc/33/79/95/399337995.db2.gz	NVNPPVKPSXLNKT-CXAGYDPISA-N	0	3	323.400	2.721	20	30		DFEDHN
C#CCN(C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)C1CC1	ZINC000274065551	211322857	/nfs/dbraw/zinc/32/28/57/211322857.db2.gz	DYDITDYKVXFMOQ-HNNXBMFYSA-N	0	3	313.445	2.923	20	30		DFEDHN
C#CCN(C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CC1	ZINC000274027573	211285250	/nfs/dbraw/zinc/28/52/50/211285250.db2.gz	CXFDDDJERBEVOA-DYVFJYSZSA-N	0	3	307.821	2.876	20	30		DFEDHN
CCn1nccc1CCN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000284442188	218029978	/nfs/dbraw/zinc/02/99/78/218029978.db2.gz	QFVKIVXQZYGSLM-UHFFFAOYSA-N	0	3	324.428	2.861	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](C(F)F)CC1	ZINC000601825678	399344072	/nfs/dbraw/zinc/34/40/72/399344072.db2.gz	RTXCNPHCFUZEQA-HUUCEWRRSA-N	0	3	322.355	2.642	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610177368	399345548	/nfs/dbraw/zinc/34/55/48/399345548.db2.gz	GZYAMSICVJXDGJ-ZBFHGGJFSA-N	0	3	324.428	2.577	20	30		DFEDHN
CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1	ZINC000619435662	399345979	/nfs/dbraw/zinc/34/59/79/399345979.db2.gz	XSWZETRMWNSVKE-KRWDZBQOSA-N	0	3	311.429	2.702	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1	ZINC000601849966	399349696	/nfs/dbraw/zinc/34/96/96/399349696.db2.gz	AHJCXBPUDDGRON-INIZCTEOSA-N	0	3	322.412	2.508	20	30		DFEDHN
CO[C@@H]1C[C@@H](CO)N(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000284720518	218147671	/nfs/dbraw/zinc/14/76/71/218147671.db2.gz	VWUBUHDQUKGSMP-RBUKOAKNSA-N	0	3	322.408	2.807	20	30		DFEDHN
CC(C)N1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000619508459	399355476	/nfs/dbraw/zinc/35/54/76/399355476.db2.gz	YRRVSXMJKRVZOF-AEFFLSMTSA-N	0	3	311.429	2.925	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610351952	399359877	/nfs/dbraw/zinc/35/98/77/399359877.db2.gz	WEVOVMNSOMFXJT-PBHICJAKSA-N	0	3	314.433	2.793	20	30		DFEDHN
COC[C@@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000610340551	399358423	/nfs/dbraw/zinc/35/84/23/399358423.db2.gz	OZKLQRXFKZDUKN-JOYOIKCWSA-N	0	3	300.280	2.669	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC[C@H](C)C1)c1cccc(C#N)c1	ZINC000610348543	399359166	/nfs/dbraw/zinc/35/91/66/399359166.db2.gz	RIBORZIASGUENP-LSDHHAIUSA-N	0	3	314.433	2.650	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(F)cc2C#N)C[C@@H]1CC	ZINC000106116615	194188142	/nfs/dbraw/zinc/18/81/42/194188142.db2.gz	ORVWCWJNLSIKIG-SFHVURJKSA-N	0	3	319.424	2.630	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610576075	399381846	/nfs/dbraw/zinc/38/18/46/399381846.db2.gz	LDEXHJNGXLKEFO-GJZGRUSLSA-N	0	3	314.389	2.920	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Cc1cccc(C#N)c1	ZINC000610578139	399382824	/nfs/dbraw/zinc/38/28/24/399382824.db2.gz	QIRHPSPBBWHSGH-ROUUACIJSA-N	0	3	311.429	2.576	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000610587034	399383898	/nfs/dbraw/zinc/38/38/98/399383898.db2.gz	PUHHVAHAZXSPRV-CYBMUJFWSA-N	0	3	304.369	2.693	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1CCOc1ccc(C#N)cc1	ZINC000610583004	399383986	/nfs/dbraw/zinc/38/39/86/399383986.db2.gz	KKJYQHZKLLDJSU-ZWKOTPCHSA-N	0	3	313.445	2.886	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC[C@@H](O)C2CC2)cc1OC	ZINC000623418564	399384989	/nfs/dbraw/zinc/38/49/89/399384989.db2.gz	VNMFWCBMFONMIK-CQSZACIVSA-N	0	3	311.809	2.774	20	30		DFEDHN
Cn1nnc2cc(CNCc3ccc(C#N)c(Cl)c3)ccc21	ZINC000619748467	399387035	/nfs/dbraw/zinc/38/70/35/399387035.db2.gz	FZGMUSOKLLDXPT-UHFFFAOYSA-N	0	3	311.776	2.783	20	30		DFEDHN
CC(C)(NCCOc1ccc(C#N)cc1)C(=O)Nc1ccccc1	ZINC000610662525	399389977	/nfs/dbraw/zinc/38/99/77/399389977.db2.gz	GZNPUDBLBLQJMZ-UHFFFAOYSA-N	0	3	323.396	2.944	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000610676411	399391894	/nfs/dbraw/zinc/39/18/94/399391894.db2.gz	KBFSOSIBROXYTH-OCCSQVGLSA-N	0	3	317.437	2.576	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)[C@@H](C)C1	ZINC000610690385	399393854	/nfs/dbraw/zinc/39/38/54/399393854.db2.gz	HXCFDOKTNJFSMS-HOCLYGCPSA-N	0	3	324.428	2.623	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNCCN2CCC2)cc1OC	ZINC000623470615	399397025	/nfs/dbraw/zinc/39/70/25/399397025.db2.gz	SJPGUDNSBZCJRB-UHFFFAOYSA-N	0	3	310.825	2.709	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)NCCn2cncn2)cc1	ZINC000268870042	207040046	/nfs/dbraw/zinc/04/00/46/207040046.db2.gz	XKTMYDDQBKCHQS-CYBMUJFWSA-N	0	3	306.797	2.760	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC12CCC2	ZINC000610737761	399400210	/nfs/dbraw/zinc/40/02/10/399400210.db2.gz	GFYDYSZRBZOEIF-KRWDZBQOSA-N	0	3	311.429	2.639	20	30		DFEDHN
CC(C#N)C(=O)NCCCCc1nc(-c2ccccn2)cs1	ZINC000602179882	399406633	/nfs/dbraw/zinc/40/66/33/399406633.db2.gz	SRVPFALPXOZUOA-GFCCVEGCSA-N	0	3	314.414	2.804	20	30		DFEDHN
N#Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1	ZINC000057624852	184042755	/nfs/dbraw/zinc/04/27/55/184042755.db2.gz	QUCXAUUNJDMMQB-UHFFFAOYSA-N	0	3	305.381	2.975	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(C)c(Br)cn1	ZINC000623554084	399415157	/nfs/dbraw/zinc/41/51/57/399415157.db2.gz	QSECVUFVDFNKCN-FZMZJTMJSA-N	0	3	311.223	2.833	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CCO)COC)cc1	ZINC000268993189	207149482	/nfs/dbraw/zinc/14/94/82/207149482.db2.gz	HKAZPQFPYLOHER-HIFRSBDPSA-N	0	3	313.825	2.866	20	30		DFEDHN
C=C(C)COc1cc(CNCCC(=O)NC(C)C)ccc1OC	ZINC000057961869	184064027	/nfs/dbraw/zinc/06/40/27/184064027.db2.gz	QWJPNXIOEOWCCK-UHFFFAOYSA-N	0	3	320.433	2.654	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H](n3ccnc3C)C2)cc1C#N	ZINC000610992892	399426009	/nfs/dbraw/zinc/42/60/09/399426009.db2.gz	QHMVJQPKKGRGFN-QGZVFWFLSA-N	0	3	310.401	2.909	20	30		DFEDHN
C=C/C(C)=C/CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000616174567	399429699	/nfs/dbraw/zinc/42/96/99/399429699.db2.gz	WRQKXJZWOQSPQB-OMCISZLKSA-N	0	3	311.429	2.971	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)[nH]1	ZINC000611035726	399430064	/nfs/dbraw/zinc/43/00/64/399430064.db2.gz	NWNAYQRGFREXQH-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
Cc1ccc(CNC2CCN(CC#N)CC2)c(Br)c1	ZINC000611080793	399432955	/nfs/dbraw/zinc/43/29/55/399432955.db2.gz	IFMXFEOXBDHZQG-UHFFFAOYSA-N	0	3	322.250	2.835	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)CCC(C)C	ZINC000602450729	399447937	/nfs/dbraw/zinc/44/79/37/399447937.db2.gz	VLUBVBLRHCQQTG-INIZCTEOSA-N	0	3	319.405	2.873	20	30		DFEDHN
C[C@@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000602467660	399452128	/nfs/dbraw/zinc/45/21/28/399452128.db2.gz	HURXWUXHDMSQCI-BBRMVZONSA-N	0	3	303.381	2.803	20	30		DFEDHN
C[C@H](CCC#N)CNc1ccc(CN2CCC(O)CC2)cc1	ZINC000602488870	399460110	/nfs/dbraw/zinc/46/01/10/399460110.db2.gz	AMOIALLHNNOYDY-OAHLLOKOSA-N	0	3	301.434	2.995	20	30		DFEDHN
C[C@H](C#N)CN(Cc1ccc(OCCN(C)C)cc1)C1CC1	ZINC000611276107	399456549	/nfs/dbraw/zinc/45/65/49/399456549.db2.gz	LXOTVXIWCDFIJZ-OAHLLOKOSA-N	0	3	301.434	2.751	20	30		DFEDHN
C[C@@H](CCC#N)CNc1cccc(CN2CCN(C)CC2)c1	ZINC000602485898	399458784	/nfs/dbraw/zinc/45/87/84/399458784.db2.gz	APFJYUFJFFMMBZ-INIZCTEOSA-N	0	3	300.450	2.786	20	30		DFEDHN
N#Cc1cccc(CN(CCc2ccccc2)[C@@H]2CCOC2)n1	ZINC000602487161	399459643	/nfs/dbraw/zinc/45/96/43/399459643.db2.gz	UZIMQOFAMRXTFQ-LJQANCHMSA-N	0	3	307.397	2.787	20	30		DFEDHN
CCCN(CCC(=O)N(C)CCC#N)Cc1ccccc1F	ZINC000611302394	399461091	/nfs/dbraw/zinc/46/10/91/399461091.db2.gz	WJDIGSWQVFJBBT-UHFFFAOYSA-N	0	3	305.397	2.800	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@H](c1ccco1)N(C)C	ZINC000602499669	399461098	/nfs/dbraw/zinc/46/10/98/399461098.db2.gz	RVWLGZPEQCFJCQ-LSDHHAIUSA-N	0	3	305.422	2.571	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1cccc(F)c1	ZINC000602520044	399467139	/nfs/dbraw/zinc/46/71/39/399467139.db2.gz	GJNOCPQKDHFEJP-CQSZACIVSA-N	0	3	306.381	2.893	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C#N)c1	ZINC000611388636	399468500	/nfs/dbraw/zinc/46/85/00/399468500.db2.gz	QNDMMLSRWFZNSQ-KBXCAEBGSA-N	0	3	321.380	2.520	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1	ZINC000602529189	399468613	/nfs/dbraw/zinc/46/86/13/399468613.db2.gz	FLXRTCOZBWRYCE-XJKSGUPXSA-N	0	3	321.371	2.692	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1F)c1cccc(C#N)c1	ZINC000611386292	399469051	/nfs/dbraw/zinc/46/90/51/399469051.db2.gz	KONQVVLDZYSPFV-CZUORRHYSA-N	0	3	314.360	2.788	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCOC[C@@H]1CCCO1	ZINC000611392899	399469722	/nfs/dbraw/zinc/46/97/22/399469722.db2.gz	UQUBWGXTAICBNL-FUHWJXTLSA-N	0	3	300.402	2.721	20	30		DFEDHN
COCCN(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1	ZINC000616475733	399472288	/nfs/dbraw/zinc/47/22/88/399472288.db2.gz	BWIVIHNRCAUGIT-OAHLLOKOSA-N	0	3	324.428	2.887	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCCN(C)C	ZINC000620313187	399476864	/nfs/dbraw/zinc/47/68/64/399476864.db2.gz	ZDBKQWHTBLVBGU-IYBDPMFKSA-N	0	3	314.429	2.950	20	30		DFEDHN
C[C@@H](NCc1cccn(C(F)F)c1=O)c1cccc(C#N)c1	ZINC000602571095	399478508	/nfs/dbraw/zinc/47/85/08/399478508.db2.gz	VFHMGKXRYLYADD-LLVKDONJSA-N	0	3	303.312	2.966	20	30		DFEDHN
COc1ccc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)cc1F	ZINC000602568904	399478729	/nfs/dbraw/zinc/47/87/29/399478729.db2.gz	ZFCCCYQKZRQQDE-CQSZACIVSA-N	0	3	321.396	2.597	20	30		DFEDHN
CC(C)(CO)[C@@H](CNCc1cccc(C#N)n1)c1ccccc1	ZINC000602581703	399482402	/nfs/dbraw/zinc/48/24/02/399482402.db2.gz	KILKKDYZEBZWDX-SFHVURJKSA-N	0	3	309.413	2.845	20	30		DFEDHN
C[C@@H](CCC#N)CNc1ccc2oc(=O)n(CCN(C)C)c2c1	ZINC000602586863	399483878	/nfs/dbraw/zinc/48/38/78/399483878.db2.gz	DLOQHASZUKOSQM-ZDUSSCGKSA-N	0	3	316.405	2.508	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CCC4(CC4)CC3)C2=O)cc1	ZINC000611516793	399486659	/nfs/dbraw/zinc/48/66/59/399486659.db2.gz	DRBUKEROTWJSFN-QGZVFWFLSA-N	0	3	309.413	2.930	20	30		DFEDHN
N#CCN1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1	ZINC000611519189	399486991	/nfs/dbraw/zinc/48/69/91/399486991.db2.gz	BNQHHOSNBHSVIF-LJQANCHMSA-N	0	3	306.413	2.749	20	30		DFEDHN
C[C@H](C#N)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000611624115	399500319	/nfs/dbraw/zinc/50/03/19/399500319.db2.gz	VXWCASYNGOIJMC-WBVHZDCISA-N	0	3	314.433	2.672	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CNC[C@H](C)CCC#N)s1	ZINC000602647689	399501712	/nfs/dbraw/zinc/50/17/12/399501712.db2.gz	KGLFRXHRLATBHR-LLVKDONJSA-N	0	3	300.449	2.571	20	30		DFEDHN
COC1(c2nc(C3CC3)no2)CCN(C[C@H](C)CCC#N)CC1	ZINC000602650252	399501845	/nfs/dbraw/zinc/50/18/45/399501845.db2.gz	DPIIAPMFUQDFIL-CYBMUJFWSA-N	0	3	318.421	2.824	20	30		DFEDHN
C[C@H](CCC#N)CN[C@H](C(N)=O)c1cccc(Br)c1	ZINC000602650075	399502180	/nfs/dbraw/zinc/50/21/80/399502180.db2.gz	RHAZWWILZHFEEP-MFKMUULPSA-N	0	3	324.222	2.505	20	30		DFEDHN
CCC[C@@H](CN(CCN(C)C)Cc1ccc(C#N)cc1)OC	ZINC000602659670	399505339	/nfs/dbraw/zinc/50/53/39/399505339.db2.gz	QREUYROXKVKHOJ-SFHVURJKSA-N	0	3	303.450	2.737	20	30		DFEDHN
N#CC1CCC(NCc2ccncc2OC[C@H]2CCOC2)CC1	ZINC000602660929	399507144	/nfs/dbraw/zinc/50/71/44/399507144.db2.gz	BKTQQKMIROBMAU-CKDBGZEDSA-N	0	3	315.417	2.669	20	30		DFEDHN
C[C@H](CCC#N)CNCc1ccncc1OC[C@H]1CCOC1	ZINC000602660925	399507292	/nfs/dbraw/zinc/50/72/92/399507292.db2.gz	BKMUAHVTCJLFPJ-CABCVRRESA-N	0	3	303.406	2.526	20	30		DFEDHN
N#Cc1cccc(CNCCc2cccc(C(F)(F)F)n2)n1	ZINC000602670522	399512163	/nfs/dbraw/zinc/51/21/63/399512163.db2.gz	PCXCPKBKCFWNSY-UHFFFAOYSA-N	0	3	306.291	2.699	20	30		DFEDHN
N#Cc1ccc(CNCCNc2nccc(C(F)(F)F)n2)cc1	ZINC000119570904	194995274	/nfs/dbraw/zinc/99/52/74/194995274.db2.gz	BJMYVFBXUVDNRZ-UHFFFAOYSA-N	0	3	321.306	2.569	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc([S@](C)=O)cc1	ZINC000602672633	399514685	/nfs/dbraw/zinc/51/46/85/399514685.db2.gz	ZDYIIQDBCBXYCM-FPTDNZKUSA-N	0	3	320.458	2.613	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)N2CCCC2)cc1	ZINC000119729444	195026887	/nfs/dbraw/zinc/02/68/87/195026887.db2.gz	QKIRNROWPZZEFC-SFHVURJKSA-N	0	3	322.412	2.762	20	30		DFEDHN
CC(C)CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000119879331	195055146	/nfs/dbraw/zinc/05/51/46/195055146.db2.gz	XDHGYAZOUSTPHD-CQSZACIVSA-N	0	3	321.446	2.695	20	30		DFEDHN
COC(=O)c1csc(CNCCc2ccc(C#N)cc2)c1	ZINC000602706525	399531647	/nfs/dbraw/zinc/53/16/47/399531647.db2.gz	PNMGPWFFCFXXLD-UHFFFAOYSA-N	0	3	300.383	2.739	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000159188132	197333668	/nfs/dbraw/zinc/33/36/68/197333668.db2.gz	VCJIVSOIARHAFH-HNNXBMFYSA-N	0	3	319.474	2.988	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1	ZINC000612036919	399562148	/nfs/dbraw/zinc/56/21/48/399562148.db2.gz	YQHDBPIAHJTHEB-KRWDZBQOSA-N	0	3	300.406	2.906	20	30		DFEDHN
N#CCc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1	ZINC000612067277	399570278	/nfs/dbraw/zinc/57/02/78/399570278.db2.gz	JPKSVLSYWBIUCL-UHFFFAOYSA-N	0	3	321.428	2.670	20	30		DFEDHN
COCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(C)o1	ZINC000273316418	285171891	/nfs/dbraw/zinc/17/18/91/285171891.db2.gz	QYHZAWDXOACUGE-DLBZAZTESA-N	0	3	314.385	2.861	20	30		DFEDHN
C[C@@H]1CN(CC2(CC#N)CC2)C[C@H](C)N1CC1(CC#N)CC1	ZINC000602819778	399588486	/nfs/dbraw/zinc/58/84/86/399588486.db2.gz	DFYPYHABJQIHGF-IYBDPMFKSA-N	0	3	300.450	2.769	20	30		DFEDHN
CO[C@@]1(C)C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156603091	197126682	/nfs/dbraw/zinc/12/66/82/197126682.db2.gz	GZTVGJXVYZWIQU-JZXOWHBKSA-N	0	3	302.418	2.727	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCCC(=O)N[C@H](C)CC)cc1	ZINC000156524292	197119550	/nfs/dbraw/zinc/11/95/50/197119550.db2.gz	DCQPFVMEEGBDST-HUUCEWRRSA-N	0	3	302.418	2.654	20	30		DFEDHN
Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1cccc(C#N)c1	ZINC000602846113	399598703	/nfs/dbraw/zinc/59/87/03/399598703.db2.gz	MERQWUVRKBXHRB-GFCCVEGCSA-N	0	3	313.361	2.664	20	30		DFEDHN
COCC[C@@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856339	399604703	/nfs/dbraw/zinc/60/47/03/399604703.db2.gz	ZGCMPKZROBFAFQ-JZXOWHBKSA-N	0	3	301.434	2.682	20	30		DFEDHN
Cc1ccc(OCCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1C	ZINC000602855891	399604809	/nfs/dbraw/zinc/60/48/09/399604809.db2.gz	JIEYCVSRPPSILT-QZTJIDSGSA-N	0	3	315.461	2.991	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCCCOC2CCCCC2)C1	ZINC000625701142	399616888	/nfs/dbraw/zinc/61/68/88/399616888.db2.gz	OUOKYZAEZRTXLQ-MRXNPFEDSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000288689141	335054758	/nfs/dbraw/zinc/05/47/58/335054758.db2.gz	UIHYYYHBOUDPAB-NVXWUHKLSA-N	0	3	319.449	2.952	20	30		DFEDHN
N#Cc1ccc(C2CCN(CCO[C@@H]3CC3(F)F)CC2)nc1	ZINC000602904952	399621917	/nfs/dbraw/zinc/62/19/17/399621917.db2.gz	BTVCMRLQEITMAK-OAHLLOKOSA-N	0	3	307.344	2.557	20	30		DFEDHN
CC(C)CC[C@H](O)CN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602907036	399622378	/nfs/dbraw/zinc/62/23/78/399622378.db2.gz	KWQFBFHHCFORTK-KRWDZBQOSA-N	0	3	301.434	2.930	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCC1(F)F	ZINC000289765578	221210475	/nfs/dbraw/zinc/21/04/75/221210475.db2.gz	KYXXZIZEEZFVBI-LBPRGKRZSA-N	0	3	307.344	2.864	20	30		DFEDHN
CCN1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C	ZINC000617214881	399631132	/nfs/dbraw/zinc/63/11/32/399631132.db2.gz	LCJGKEVOZJZBBX-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1F	ZINC000289791656	221228714	/nfs/dbraw/zinc/22/87/14/221228714.db2.gz	LYCYEXVYZJPFGR-UHFFFAOYSA-N	0	3	314.408	2.600	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000289901814	221303022	/nfs/dbraw/zinc/30/30/22/221303022.db2.gz	TYDJTLTYNRJGTO-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000617236458	399636505	/nfs/dbraw/zinc/63/65/05/399636505.db2.gz	YAZLKDDFLMWRQJ-OAHLLOKOSA-N	0	3	308.466	2.526	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCC2)CC1	ZINC000602999950	399656061	/nfs/dbraw/zinc/65/60/61/399656061.db2.gz	QASSYQUJECYQCS-HOCLYGCPSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000603075700	399673708	/nfs/dbraw/zinc/67/37/08/399673708.db2.gz	ZEZQXGWTHQDFTG-XHDPSFHLSA-N	0	3	304.369	2.548	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccco1	ZINC000603043671	399664561	/nfs/dbraw/zinc/66/45/61/399664561.db2.gz	NDPFQOSQZRMMRQ-KBPBESRZSA-N	0	3	315.417	2.909	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603070033	399670652	/nfs/dbraw/zinc/67/06/52/399670652.db2.gz	AXSMPTBHAJTFTO-CQSZACIVSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccnc(C#N)c1	ZINC000603124442	399687716	/nfs/dbraw/zinc/68/77/16/399687716.db2.gz	YGPRVGOMKSOTFI-CQSZACIVSA-N	0	3	323.400	2.595	20	30		DFEDHN
CC(C)N1CC[C@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603282331	399730861	/nfs/dbraw/zinc/73/08/61/399730861.db2.gz	ICIINXZSJZFECN-NSHDSACASA-N	0	3	309.211	2.610	20	30		DFEDHN
C=CCNC(=O)CNC/C(C)=C/c1ccccc1OC(F)F	ZINC000289435842	335063382	/nfs/dbraw/zinc/06/33/82/335063382.db2.gz	FJOBWWGAJIQTMQ-FMIVXFBMSA-N	0	3	310.344	2.583	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(C)CCN(C)C2CC2)c1	ZINC000184218507	335063428	/nfs/dbraw/zinc/06/34/28/335063428.db2.gz	WUSLVZHERYCXQG-UHFFFAOYSA-N	0	3	303.406	2.809	20	30		DFEDHN
COc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292833166	533570743	/nfs/dbraw/zinc/57/07/43/533570743.db2.gz	RMLHSYJRZRCYBN-KRWDZBQOSA-N	0	3	323.396	2.924	20	30		DFEDHN
CN1CCC[C@@]2(CCN(c3c(C#N)cnn3-c3ccccc3)C2)C1	ZINC000603384549	399760781	/nfs/dbraw/zinc/76/07/81/399760781.db2.gz	UHFAWCHTPKXQPG-LJQANCHMSA-N	0	3	321.428	2.666	20	30		DFEDHN
C=CCCOCC(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000603452396	399777392	/nfs/dbraw/zinc/77/73/92/399777392.db2.gz	WMUXKDYISJRUJH-UHFFFAOYSA-N	0	3	316.445	2.702	20	30		DFEDHN
Cn1cc(CN(CC(C)(C)O)C2CC2)c(-c2ccc(C#N)cc2)n1	ZINC000366645298	131261864	/nfs/dbraw/zinc/26/18/64/131261864.db2.gz	SYZYGOSDOJLZJE-UHFFFAOYSA-N	0	3	324.428	2.694	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)CC1	ZINC000613166006	399809100	/nfs/dbraw/zinc/80/91/00/399809100.db2.gz	SYALUXXWOXDGOX-ODZFXCKXSA-N	0	3	318.465	2.585	20	30		DFEDHN
CC(C)OC[C@@H](CO)N(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000617898226	399826461	/nfs/dbraw/zinc/82/64/61/399826461.db2.gz	SKJREZVDFYAFQK-QGZVFWFLSA-N	0	3	304.434	2.705	20	30		DFEDHN
OCC1([C@@H](NCC#Cc2ccccc2)C2CCOCC2)CCC1	ZINC000425546522	335067666	/nfs/dbraw/zinc/06/76/66/335067666.db2.gz	RZJRDWBUIYUUAD-IBGZPJMESA-N	0	3	313.441	2.586	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCOCCOC)cc1Cl	ZINC000290059622	335068064	/nfs/dbraw/zinc/06/80/64/335068064.db2.gz	FDHVWYXYRXBVTI-UHFFFAOYSA-N	0	3	313.825	3.000	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C[C@H](O)CN(C)C1CC1	ZINC000290111366	335069184	/nfs/dbraw/zinc/06/91/84/335069184.db2.gz	XSMPYTPVKRXOSQ-CYBMUJFWSA-N	0	3	314.882	2.845	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000309842899	543066006	/nfs/dbraw/zinc/06/60/06/543066006.db2.gz	WWORETJLMJNGGO-HNNXBMFYSA-N	0	3	301.434	2.953	20	30		DFEDHN
N#CC1(NC(=O)CN2CC[C@H](N3CCCCC3)C2)CCCCC1	ZINC000329322087	543103142	/nfs/dbraw/zinc/10/31/42/543103142.db2.gz	RQHBASVLCSPCBK-INIZCTEOSA-N	0	3	318.465	2.730	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)o1	ZINC000604554465	399855707	/nfs/dbraw/zinc/85/57/07/399855707.db2.gz	SSOXFHWQOQBQDP-OAHLLOKOSA-N	0	3	312.373	2.508	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1	ZINC000630941386	399950742	/nfs/dbraw/zinc/95/07/42/399950742.db2.gz	CPFVJBYWWYNMGN-MRXNPFEDSA-N	0	3	304.821	2.746	20	30		DFEDHN
CCn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C	ZINC000633894597	399958559	/nfs/dbraw/zinc/95/85/59/399958559.db2.gz	OBMIJFGKPITIKZ-LBPRGKRZSA-N	0	3	307.357	2.588	20	30		DFEDHN
C=C(C)COc1cc(CNCC[C@H](O)C(F)F)ccc1OC	ZINC000631216037	400005948	/nfs/dbraw/zinc/00/59/48/400005948.db2.gz	DMNIDMSTCXODAK-ZDUSSCGKSA-N	0	3	315.360	2.756	20	30		DFEDHN
C[C@H]1CCCCN1CCNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000443509585	543357995	/nfs/dbraw/zinc/35/79/95/543357995.db2.gz	JIYKAULDCZEPAE-NSHDSACASA-N	0	3	312.339	3.258	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000246584995	146144941	/nfs/dbraw/zinc/14/49/41/146144941.db2.gz	YKLMYCNGHPYWFD-IAQYHMDHSA-N	0	3	304.369	2.548	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000255954660	146235541	/nfs/dbraw/zinc/23/55/41/146235541.db2.gz	XRRSAXPJOWDKLP-FQEVSTJZSA-N	0	3	321.424	2.926	20	30		DFEDHN
CCc1nnc(NC[C@H]2NCCc3ccccc32)c(C#N)c1CC	ZINC000261768840	146273226	/nfs/dbraw/zinc/27/32/26/146273226.db2.gz	WSEBOWFMNNTKAT-GOSISDBHSA-N	0	3	321.428	2.772	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)n1	ZINC000355468581	147328161	/nfs/dbraw/zinc/32/81/61/147328161.db2.gz	MGVBNBJYTWCOSN-PKOBYXMFSA-N	0	3	318.424	2.879	20	30		DFEDHN
CCc1ccc([C@@H](CNc2cc(C#N)cc(C)n2)N(C)C)cc1	ZINC000585702293	543460961	/nfs/dbraw/zinc/46/09/61/543460961.db2.gz	BEZIQTHTERKXTA-GOSISDBHSA-N	0	3	308.429	3.539	20	30		DFEDHN
C[C@H](NCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F	ZINC000358571627	148388057	/nfs/dbraw/zinc/38/80/57/148388057.db2.gz	OVYDSLGPDACIBQ-ZNMIVQPWSA-N	0	3	319.424	2.847	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2cccc(C#N)n2)CC1	ZINC000361672167	149187815	/nfs/dbraw/zinc/18/78/15/149187815.db2.gz	ROGWSMZTPLXUAG-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnn1CCN(C)C	ZINC000667152226	543554909	/nfs/dbraw/zinc/55/49/09/543554909.db2.gz	HRDBBHQCYIMMLV-HUUCEWRRSA-N	0	3	319.453	2.701	20	30		DFEDHN
CC(C(=O)Nc1ccnn1-c1ccc(C#N)cc1)C(F)(F)F	ZINC000361790299	149220159	/nfs/dbraw/zinc/22/01/59/149220159.db2.gz	ZMWJFWXKVYFDEN-SECBINFHSA-N	0	3	308.263	2.881	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000362626035	149327836	/nfs/dbraw/zinc/32/78/36/149327836.db2.gz	DZLNYSQBETXMFS-KRWDZBQOSA-N	0	3	313.445	2.682	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1	ZINC000362903961	149393146	/nfs/dbraw/zinc/39/31/46/149393146.db2.gz	JNISBTYVXBOTNH-GFCCVEGCSA-N	0	3	305.447	2.860	20	30		DFEDHN
C[C@@H](NCC1(CO)COC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000367783661	149642756	/nfs/dbraw/zinc/64/27/56/149642756.db2.gz	NGAAQHPPDDKMHO-OAHLLOKOSA-N	0	3	322.408	2.885	20	30		DFEDHN
N#Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c[nH]1	ZINC000371486014	150053767	/nfs/dbraw/zinc/05/37/67/150053767.db2.gz	SFJSZXVULGDAIS-INIZCTEOSA-N	0	3	322.412	2.528	20	30		DFEDHN
Cn1cc(CNCc2cccn2C)c(-c2ccc(C#N)cc2)n1	ZINC000371539077	150062486	/nfs/dbraw/zinc/06/24/86/150062486.db2.gz	NPMZDSHMRUJSCJ-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)SCC(=O)N2C	ZINC000371788892	150095426	/nfs/dbraw/zinc/09/54/26/150095426.db2.gz	PJTGNJQBDYCNCL-ZDUSSCGKSA-N	0	3	315.442	2.617	20	30		DFEDHN
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000372174789	150145127	/nfs/dbraw/zinc/14/51/27/150145127.db2.gz	BGAANCHKLMKSRN-DJKXOVBDSA-N	0	3	322.408	2.916	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000372855850	150193333	/nfs/dbraw/zinc/19/33/33/150193333.db2.gz	HHTSDCHYJQAAJJ-MOPGFXCFSA-N	0	3	319.408	2.694	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@@]2(CCCCO2)C1	ZINC000373181883	150242948	/nfs/dbraw/zinc/24/29/48/150242948.db2.gz	XBWSOMOSXSBINF-SFHVURJKSA-N	0	3	300.402	2.972	20	30		DFEDHN
Cn1cc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1C#N	ZINC000373819479	150262719	/nfs/dbraw/zinc/26/27/19/150262719.db2.gz	ZDZBHNJBRGLFDD-RTBURBONSA-N	0	3	309.413	2.985	20	30		DFEDHN
CN(C)CC1(NCc2ncc(-c3ccc(C#N)cc3)o2)CCC1	ZINC000374170634	150316708	/nfs/dbraw/zinc/31/67/08/150316708.db2.gz	HCFDWUVSWCJMCK-UHFFFAOYSA-N	0	3	310.401	2.787	20	30		DFEDHN
C[C@H](CN1CCN(c2cccc(C#N)n2)CC1)c1ccccc1	ZINC000355099209	158274556	/nfs/dbraw/zinc/27/45/56/158274556.db2.gz	MUYIYLXPPIUQDB-MRXNPFEDSA-N	0	3	306.413	2.879	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C#N)cc1F	ZINC000358581508	158391653	/nfs/dbraw/zinc/39/16/53/158391653.db2.gz	YMVWSGLRVFJIOO-NWANDNLSSA-N	0	3	317.408	2.995	20	30		DFEDHN
C#C[C@H](NCc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)(C)C	ZINC000290226446	335070157	/nfs/dbraw/zinc/07/01/57/335070157.db2.gz	SKVAHWWUTIGJQP-KRWDZBQOSA-N	0	3	311.429	2.622	20	30		DFEDHN
C[C@H](O)CN(C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000130834673	196114605	/nfs/dbraw/zinc/11/46/05/196114605.db2.gz	VPANDCIDMUXYLV-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
COCC[C@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000338348950	269745006	/nfs/dbraw/zinc/74/50/06/269745006.db2.gz	MTPXBUWBIYBWHX-HNNXBMFYSA-N	0	3	303.406	2.538	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C(F)F)nc2)CC1	ZINC000667637131	543646512	/nfs/dbraw/zinc/64/65/12/543646512.db2.gz	JNFRCDYGNGYQBC-UHFFFAOYSA-N	0	3	310.348	2.791	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1OC	ZINC000668741038	543858979	/nfs/dbraw/zinc/85/89/79/543858979.db2.gz	ZMXGJBRLCFFUBI-KSSFIOAISA-N	0	3	305.418	2.710	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN[C@H]2CCc3c2cccc3O)cc1	ZINC000296736396	226177373	/nfs/dbraw/zinc/17/73/73/226177373.db2.gz	OFBYPWRFXOXHIL-KRWDZBQOSA-N	0	3	321.380	2.870	20	30		DFEDHN
C=C(C)[C@@H](CO)N[C@@H](c1cncc(Br)c1)C1CC1	ZINC000671249078	544063406	/nfs/dbraw/zinc/06/34/06/544063406.db2.gz	KPCNPSXPLQPWRE-ZIAGYGMSSA-N	0	3	311.223	2.822	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000671562746	544086917	/nfs/dbraw/zinc/08/69/17/544086917.db2.gz	QLCDPPFRSUYXEP-XYJFISCASA-N	0	3	302.466	2.537	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000671700529	544098855	/nfs/dbraw/zinc/09/88/55/544098855.db2.gz	ZRAIJFYMCVCWDL-OLZOCXBDSA-N	0	3	304.356	2.569	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000290689774	335074564	/nfs/dbraw/zinc/07/45/64/335074564.db2.gz	INBIKODGRPODIN-IEBWSBKVSA-N	0	3	318.461	2.586	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(Cl)nc2C)CC1	ZINC000194578175	335078496	/nfs/dbraw/zinc/07/84/96/335078496.db2.gz	NLFHXJXKCOVVJC-UHFFFAOYSA-N	0	3	308.813	2.815	20	30		DFEDHN
C=CCCOCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000673694236	544192238	/nfs/dbraw/zinc/19/22/38/544192238.db2.gz	DBFRBKWQPXOLJS-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@](CO)(c3ccccc3)C2)cc1	ZINC000291201069	222218808	/nfs/dbraw/zinc/21/88/08/222218808.db2.gz	JUFOVOJBZCUCRK-FQEVSTJZSA-N	0	3	322.408	2.573	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000675498040	544316413	/nfs/dbraw/zinc/31/64/13/544316413.db2.gz	YWFWDXOGNOGDFV-HZPDHXFCSA-N	0	3	321.465	2.631	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NCCN1CCCCCC1	ZINC000299433266	229115316	/nfs/dbraw/zinc/11/53/16/229115316.db2.gz	QUBMFAZBRVMRQO-UHFFFAOYSA-N	0	3	300.406	2.864	20	30		DFEDHN
COCC#CCN[C@@H](C)c1cccc(OCc2ccccn2)c1	ZINC000678742989	544714162	/nfs/dbraw/zinc/71/41/62/544714162.db2.gz	BNPILRDSPSFHJD-INIZCTEOSA-N	0	3	310.397	2.961	20	30		DFEDHN
COC[C@H](NCCC(=O)Nc1ccccc1C#N)c1ccccc1	ZINC000299722617	229361715	/nfs/dbraw/zinc/36/17/15/229361715.db2.gz	STHJRZIAPPCXSS-SFHVURJKSA-N	0	3	323.396	2.864	20	30		DFEDHN
C=CCOCCNCc1c(C)nn(-c2ccc(F)cc2)c1C	ZINC000679487173	544860021	/nfs/dbraw/zinc/86/00/21/544860021.db2.gz	YHMYMYOYOFGWCW-UHFFFAOYSA-N	0	3	303.381	2.920	20	30		DFEDHN
N#Cc1c(N2CCN(CC3CCCCC3)CC2)nc2ccccn12	ZINC000302108517	230097995	/nfs/dbraw/zinc/09/79/95/230097995.db2.gz	SSDBSUDXBZLZAP-UHFFFAOYSA-N	0	3	323.444	2.908	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)c1ncncc1Cl	ZINC000302672806	230341913	/nfs/dbraw/zinc/34/19/13/230341913.db2.gz	SDRNEOYLTXUJPK-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C	ZINC000056495321	425895365	/nfs/dbraw/zinc/89/53/65/425895365.db2.gz	FBGJFZNWGURISO-MRXNPFEDSA-N	0	3	307.434	2.859	20	30		DFEDHN
Cc1cc(CN2CCC(N3CCCCC3=O)CC2)ccc1C#N	ZINC000488225332	269912945	/nfs/dbraw/zinc/91/29/45/269912945.db2.gz	SWSXKUMFSUMDDX-UHFFFAOYSA-N	0	3	311.429	2.844	20	30		DFEDHN
N#CCCCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000068824671	425921615	/nfs/dbraw/zinc/92/16/15/425921615.db2.gz	GLCHIRCCIBAJPY-CQSZACIVSA-N	0	3	318.396	2.963	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1ccc(OCCO)cc1)CC2	ZINC000353271473	269999388	/nfs/dbraw/zinc/99/93/88/269999388.db2.gz	YPXQVKXAXMKTQV-IBGZPJMESA-N	0	3	308.381	2.706	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@H]1NCCc2ccccc21	ZINC000415055598	270000202	/nfs/dbraw/zinc/00/02/02/270000202.db2.gz	NKDKNINORXROLR-GOSISDBHSA-N	0	3	320.396	2.875	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1	ZINC000414554983	270000252	/nfs/dbraw/zinc/00/02/52/270000252.db2.gz	TZRMGQZZZADGAI-MJGOQNOKSA-N	0	3	305.381	2.668	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(OC3CCC3)CC2)cc1	ZINC000419289163	270000457	/nfs/dbraw/zinc/00/04/57/270000457.db2.gz	SZKJUZQEQAVOEZ-UHFFFAOYSA-N	0	3	300.402	2.971	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@H](O)Cc1cccc(F)c1)CC2	ZINC000453221372	270001522	/nfs/dbraw/zinc/00/15/22/270001522.db2.gz	OPVVHNXHWPTPEI-IEBWSBKVSA-N	0	3	310.372	2.878	20	30		DFEDHN
COc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cc1C#N	ZINC000453628778	270001719	/nfs/dbraw/zinc/00/17/19/270001719.db2.gz	WRUOYDKFUUEPOU-UHFFFAOYSA-N	0	3	312.417	2.959	20	30		DFEDHN
N#Cc1ccc2c(c1)N(C(=O)C1CN(C3CCCCC3)C1)CC2	ZINC000457683621	270001835	/nfs/dbraw/zinc/00/18/35/270001835.db2.gz	YNCMUYXGIJNZEG-UHFFFAOYSA-N	0	3	309.413	2.712	20	30		DFEDHN
CCCN(CCN1CCCC1)Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459475562	270002114	/nfs/dbraw/zinc/00/21/14/270002114.db2.gz	YUCRHIJKGYKRPI-UHFFFAOYSA-N	0	3	316.405	2.774	20	30		DFEDHN
CCOC(=O)c1ccc(C#N)c(SCCN2CCCCC2)n1	ZINC000488625672	270002281	/nfs/dbraw/zinc/00/22/81/270002281.db2.gz	HOSUSEWCHXXVTA-UHFFFAOYSA-N	0	3	319.430	2.708	20	30		DFEDHN
CN1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000534020522	270002921	/nfs/dbraw/zinc/00/29/21/270002921.db2.gz	PMQLLBJMALFKKS-ICSRJNTNSA-N	0	3	319.408	2.662	20	30		DFEDHN
CC(C)OC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000533475681	270003050	/nfs/dbraw/zinc/00/30/50/270003050.db2.gz	HHNMTYQOSCGBIH-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000156569340	425935037	/nfs/dbraw/zinc/93/50/37/425935037.db2.gz	VLIUXPCACGZQFD-QGZVFWFLSA-N	0	3	319.449	2.953	20	30		DFEDHN
CCCCN(C)CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000352862873	266027670	/nfs/dbraw/zinc/02/76/70/266027670.db2.gz	PECHYBGBGQUQFA-UHFFFAOYSA-N	0	3	317.408	2.577	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000341191799	266334832	/nfs/dbraw/zinc/33/48/32/266334832.db2.gz	GANPOIFDMQJXLB-GXTWGEPZSA-N	0	3	316.405	2.561	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000341191804	266334859	/nfs/dbraw/zinc/33/48/59/266334859.db2.gz	GANPOIFDMQJXLB-OCCSQVGLSA-N	0	3	316.405	2.561	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280426576	266377069	/nfs/dbraw/zinc/37/70/69/266377069.db2.gz	PUZHEYVRIBKLCY-HZPDHXFCSA-N	0	3	313.426	2.595	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347953366	266573096	/nfs/dbraw/zinc/57/30/96/266573096.db2.gz	IOMRIAKETXOTDZ-SFHVURJKSA-N	0	3	303.365	2.899	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450294585	267006772	/nfs/dbraw/zinc/00/67/72/267006772.db2.gz	PFAMRKUCRLICFE-CQSZACIVSA-N	0	3	317.393	2.928	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNc2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000341923489	267014040	/nfs/dbraw/zinc/01/40/40/267014040.db2.gz	YLAWDQMQISFWST-GFCCVEGCSA-N	0	3	317.393	2.784	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1c(F)cccc1C#N	ZINC000352251604	267015261	/nfs/dbraw/zinc/01/52/61/267015261.db2.gz	SKRMCWASRIDLEU-ZIAGYGMSSA-N	0	3	317.408	2.619	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1ccc(C#N)cc1	ZINC000341258479	267017925	/nfs/dbraw/zinc/01/79/25/267017925.db2.gz	ADSQPTVYNXEWJM-OKILXGFUSA-N	0	3	300.406	2.943	20	30		DFEDHN
CCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C	ZINC000451430200	267035683	/nfs/dbraw/zinc/03/56/83/267035683.db2.gz	CZPVLCXBDUYMEG-AWEZNQCLSA-N	0	3	323.462	2.531	20	30		DFEDHN
CCC[C@H]1CN(Cc2cccc(F)c2C#N)CCN1CCOC	ZINC000428283943	267038138	/nfs/dbraw/zinc/03/81/38/267038138.db2.gz	CIPQEUYMYLXKSL-INIZCTEOSA-N	0	3	319.424	2.630	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2ccncc2C#N)C1	ZINC000399459936	267055859	/nfs/dbraw/zinc/05/58/59/267055859.db2.gz	QZPZIFSHSKFTSD-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(C#N)[nH]c1C	ZINC000448880226	267070103	/nfs/dbraw/zinc/07/01/03/267070103.db2.gz	CVLDWNQSDGYJRO-UHFFFAOYSA-N	0	3	324.428	2.919	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCN1C	ZINC000353332922	267090630	/nfs/dbraw/zinc/09/06/30/267090630.db2.gz	RBZKMWCMFYSTIR-MLGOLLRUSA-N	0	3	317.408	2.574	20	30		DFEDHN
CCOC(=O)CC1(NCc2ccc(C#N)cc2OC)CCCC1	ZINC000434618434	267114843	/nfs/dbraw/zinc/11/48/43/267114843.db2.gz	YXTGTQMVTCMWCL-UHFFFAOYSA-N	0	3	316.401	2.922	20	30		DFEDHN
CCOC(=O)N(C)C1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000496377946	267120659	/nfs/dbraw/zinc/12/06/59/267120659.db2.gz	DVQASFFTSCAKEQ-UHFFFAOYSA-N	0	3	315.417	2.919	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1OC	ZINC000451603411	267132294	/nfs/dbraw/zinc/13/22/94/267132294.db2.gz	ZJCYYAARLGWSSH-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000452031903	267146640	/nfs/dbraw/zinc/14/66/40/267146640.db2.gz	BOSPJKRPZRZITO-KBRIMQKVSA-N	0	3	315.417	2.823	20	30		DFEDHN
C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1	ZINC000348142623	267181859	/nfs/dbraw/zinc/18/18/59/267181859.db2.gz	GCSUMRQAKQUFIK-AAEUAGOBSA-N	0	3	321.808	2.555	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccco1	ZINC000451678865	267186800	/nfs/dbraw/zinc/18/68/00/267186800.db2.gz	XMMSXOQOYPGXQZ-IAQYHMDHSA-N	0	3	314.389	2.647	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N	ZINC000342180412	267227383	/nfs/dbraw/zinc/22/73/83/267227383.db2.gz	AWEARLMDGIBIMN-CABZTGNLSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCCN1C	ZINC000344918831	267250062	/nfs/dbraw/zinc/25/00/62/267250062.db2.gz	PHTORDHMFZGBMU-HZMBPMFUSA-N	0	3	306.797	2.816	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2)cn1	ZINC000433932542	267253722	/nfs/dbraw/zinc/25/37/22/267253722.db2.gz	QYMYHFRZXXDQEH-ZWKOTPCHSA-N	0	3	310.401	2.785	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1	ZINC000421320330	267282992	/nfs/dbraw/zinc/28/29/92/267282992.db2.gz	AMPHPECXGXULKQ-SFHVURJKSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)N(C)Cc1cccc(C#N)c1	ZINC000433219195	267283756	/nfs/dbraw/zinc/28/37/56/267283756.db2.gz	HCITYZPFXCYJQI-UHFFFAOYSA-N	0	3	307.397	2.892	20	30		DFEDHN
CN(C)[C@H](CNC(=O)/C=C\c1ccc(C#N)cc1)c1ccccc1	ZINC000490982689	267289318	/nfs/dbraw/zinc/28/93/18/267289318.db2.gz	PQFMGCDOAGPXMS-SYGIOELKSA-N	0	3	319.408	2.991	20	30		DFEDHN
CN(C[C@H](O)COc1ccccc1C#N)[C@@H]1CCc2ccccc21	ZINC000528348540	267308876	/nfs/dbraw/zinc/30/88/76/267308876.db2.gz	KLKUGVAGABQNEN-PKOBYXMFSA-N	0	3	322.408	2.917	20	30		DFEDHN
Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc(C#N)n1	ZINC000343018057	267333626	/nfs/dbraw/zinc/33/36/26/267333626.db2.gz	USRSMAAMJQZQKW-LPHOPBHVSA-N	0	3	321.428	2.786	20	30		DFEDHN
CN1CCC[C@]2(CCN(c3cc(C(F)(F)F)cnc3C#N)C2)C1	ZINC000413289924	267338189	/nfs/dbraw/zinc/33/81/89/267338189.db2.gz	AZHRZLKIPITMFU-HNNXBMFYSA-N	0	3	324.350	2.894	20	30		DFEDHN
CN1C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@@H]2C1	ZINC000514598830	267342518	/nfs/dbraw/zinc/34/25/18/267342518.db2.gz	IRVQTCQYNVCUNM-SWLSCSKDSA-N	0	3	318.808	2.770	20	30		DFEDHN
CN1C[C@@H]2CCCN(c3cccc(Br)c3C#N)[C@@H]2C1	ZINC000425279451	267342980	/nfs/dbraw/zinc/34/29/80/267342980.db2.gz	FXFDCQARWYNWFK-XHDPSFHLSA-N	0	3	320.234	2.851	20	30		DFEDHN
CN1C[C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)[C@@H]2C1	ZINC000425281261	267343324	/nfs/dbraw/zinc/34/33/24/267343324.db2.gz	ITPCHOQOHLXQLL-NWDGAFQWSA-N	0	3	310.323	2.502	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000449758713	267390830	/nfs/dbraw/zinc/39/08/30/267390830.db2.gz	WKFLLURCGBGFGN-OALUTQOASA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000025865780	425808452	/nfs/dbraw/zinc/80/84/52/425808452.db2.gz	ZASHADHDVMCSBF-YJBOKZPZSA-N	0	3	310.397	2.843	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CCC(C)CC2)c(OC)c1	ZINC000046346194	425865116	/nfs/dbraw/zinc/86/51/16/425865116.db2.gz	NPRSRBXEEOQKQN-KRWDZBQOSA-N	0	3	319.445	2.895	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000041519876	425852131	/nfs/dbraw/zinc/85/21/31/425852131.db2.gz	KYOWVFRLSGIMJX-NSHDSACASA-N	0	3	302.355	2.959	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)Cc2cccc(C#N)c2)N(C)C)cc1	ZINC000530910088	268046069	/nfs/dbraw/zinc/04/60/69/268046069.db2.gz	WNXZDXWWRZIHAD-IBGZPJMESA-N	0	3	321.424	2.828	20	30		DFEDHN
Cc1cccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1	ZINC000452077405	268057890	/nfs/dbraw/zinc/05/78/90/268057890.db2.gz	DOGXPBYCEUKXBI-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
Cc1cccc2c1CN(C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000528473461	268058664	/nfs/dbraw/zinc/05/86/64/268058664.db2.gz	GPQRRPPHAQLPEJ-GOSISDBHSA-N	0	3	322.408	2.665	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(O)CCSC2)c(C(F)(F)F)c1	ZINC000352834761	268074166	/nfs/dbraw/zinc/07/41/66/268074166.db2.gz	JCADZYQZLUMHDS-CYBMUJFWSA-N	0	3	316.348	2.535	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCCC(F)(F)F)cc1	ZINC000280629608	268085777	/nfs/dbraw/zinc/08/57/77/268085777.db2.gz	YTNSRPVBHPHVMP-ZDUSSCGKSA-N	0	3	309.291	2.699	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2CC(C(F)(F)F)C2)cc1	ZINC000360511299	268089800	/nfs/dbraw/zinc/08/98/00/268089800.db2.gz	AFCDIAPYLDIYDO-IYXRBSQSSA-N	0	3	321.302	2.698	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1	ZINC000348121564	268092054	/nfs/dbraw/zinc/09/20/54/268092054.db2.gz	MUODURPHGHYKPY-CEXWTWQISA-N	0	3	315.376	2.913	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000435683153	268103597	/nfs/dbraw/zinc/10/35/97/268103597.db2.gz	OKHMYRUDZMDSAN-UHFFFAOYSA-N	0	3	313.357	2.652	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CC[C@@H](C4CC4)C3)C2=O)cc1	ZINC000352778597	268113626	/nfs/dbraw/zinc/11/36/26/268113626.db2.gz	LDGCRWJIVCVOIT-AEFFLSMTSA-N	0	3	309.413	2.786	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1	ZINC000194745827	268114140	/nfs/dbraw/zinc/11/41/40/268114140.db2.gz	CBVKCDZZYVZHDG-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
N#Cc1c(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cn2ccccc12	ZINC000451696422	268158585	/nfs/dbraw/zinc/15/85/85/268158585.db2.gz	AXBMANGSZPGAND-HLLBOEOZSA-N	0	3	309.413	2.794	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C(N)=O)cc1	ZINC000341757471	268219399	/nfs/dbraw/zinc/21/93/99/268219399.db2.gz	KBGUVDPWHWTHLN-SFHVURJKSA-N	0	3	305.381	2.824	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)s1	ZINC000518161593	268231328	/nfs/dbraw/zinc/23/13/28/268231328.db2.gz	NAXUXJCXVXRDGD-OAHLLOKOSA-N	0	3	303.431	2.643	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)o1	ZINC000443994943	268233732	/nfs/dbraw/zinc/23/37/32/268233732.db2.gz	FUDJJRZHHNHBFJ-NSHDSACASA-N	0	3	324.302	2.509	20	30		DFEDHN
Cc1nc2c(n1[C@H]1CCN(Cc3ccc(C#N)o3)C1)CCCC2	ZINC000275698806	268260186	/nfs/dbraw/zinc/26/01/86/268260186.db2.gz	RMRCGPZVUJQIIR-AWEZNQCLSA-N	0	3	310.401	2.982	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@@H]2CCCCC(F)(F)C2)C(N)=O)cc1	ZINC000427840687	268263872	/nfs/dbraw/zinc/26/38/72/268263872.db2.gz	WZGUNPCZAIAVBE-HIFRSBDPSA-N	0	3	321.371	2.890	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@H](COC(F)F)C2)c1	ZINC000353030038	268273509	/nfs/dbraw/zinc/27/35/09/268273509.db2.gz	RKQBPRHVORLPFN-AWEZNQCLSA-N	0	3	310.344	2.888	20	30		DFEDHN
N#Cc1cccc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-]	ZINC000450487788	268282416	/nfs/dbraw/zinc/28/24/16/268282416.db2.gz	SUVHCGSRVHRKTR-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000412107026	268287474	/nfs/dbraw/zinc/28/74/74/268287474.db2.gz	QNDVDSLJEPYZJP-CEXWTWQISA-N	0	3	323.440	2.749	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CCCCC[C@H]21	ZINC000528402730	268302535	/nfs/dbraw/zinc/30/25/35/268302535.db2.gz	IALVESROQWMXPM-BRWVUGGUSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000157474463	425937896	/nfs/dbraw/zinc/93/78/96/425937896.db2.gz	JNTPSXQEWHJWQW-SFHVURJKSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)COc1cc(CN2CCN(CC)CC2)ccc1OC	ZINC000157441590	425938427	/nfs/dbraw/zinc/93/84/27/425938427.db2.gz	DNNAPDVQKRIJBT-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)nc1	ZINC000107455565	425992450	/nfs/dbraw/zinc/99/24/50/425992450.db2.gz	QFKLTGIVGBGEDN-MRXNPFEDSA-N	0	3	318.380	2.578	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000125287610	425963378	/nfs/dbraw/zinc/96/33/78/425963378.db2.gz	FSWLLJCXAFDKCQ-SJLPKXTDSA-N	0	3	309.413	2.534	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCOC2CCCC2)CC1	ZINC000106268087	425971222	/nfs/dbraw/zinc/97/12/22/425971222.db2.gz	DKFWMZASTZKKTC-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
N#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@@H]2OC(F)F)c1	ZINC000337386388	268485073	/nfs/dbraw/zinc/48/50/73/268485073.db2.gz	FUHPLOTVOLTRSC-KGLIPLIRSA-N	0	3	323.343	2.637	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000110355125	426034267	/nfs/dbraw/zinc/03/42/67/426034267.db2.gz	CULGHONMDHGACV-JKSUJKDBSA-N	0	3	304.434	2.604	20	30		DFEDHN
Cc1ccc(C#N)c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000161789421	426038763	/nfs/dbraw/zinc/03/87/63/426038763.db2.gz	UNXRVPNPTCDZCW-GASCZTMLSA-N	0	3	302.422	2.563	20	30		DFEDHN
COc1cccc([C@@H](O)CNC2CC(C#N)(c3ccccc3)C2)c1	ZINC000126861369	426039949	/nfs/dbraw/zinc/03/99/49/426039949.db2.gz	VKGDPXSTJAXRGH-SYYJFZTOSA-N	0	3	322.408	2.942	20	30		DFEDHN
CN(CCOc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1	ZINC000126910888	426042235	/nfs/dbraw/zinc/04/22/35/426042235.db2.gz	SSPVKTRTIBAINL-KRWDZBQOSA-N	0	3	314.360	2.742	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000127464267	426068154	/nfs/dbraw/zinc/06/81/54/426068154.db2.gz	QPGCVRGZFIVKDD-OAHLLOKOSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@]1(C)CCCO1)C(C)C	ZINC000126347413	426015232	/nfs/dbraw/zinc/01/52/32/426015232.db2.gz	BXVMKCPPGZYLFW-AEFFLSMTSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NC[C@@H]2CCCN(C)C2)c1	ZINC000108508493	426017583	/nfs/dbraw/zinc/01/75/83/426017583.db2.gz	HENLBNHSTZKEHM-AWEZNQCLSA-N	0	3	303.406	2.715	20	30		DFEDHN
C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000127825774	426088309	/nfs/dbraw/zinc/08/83/09/426088309.db2.gz	ZLCYNDCPQKCXPN-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163148115	426091071	/nfs/dbraw/zinc/09/10/71/426091071.db2.gz	IQCWDUQHJOAKTF-WBVHZDCISA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCC[C@H](C)C1	ZINC000076083440	426099394	/nfs/dbraw/zinc/09/93/94/426099394.db2.gz	VGXGMGJFRNOSSR-GJZGRUSLSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=CCNC(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1	ZINC000076343002	426109063	/nfs/dbraw/zinc/10/90/63/426109063.db2.gz	QCSRKBHMLHYFLD-UHFFFAOYSA-N	0	3	314.429	2.668	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1	ZINC000128472539	426118627	/nfs/dbraw/zinc/11/86/27/426118627.db2.gz	JTSJNKWYEQIJRB-KRWDZBQOSA-N	0	3	309.413	2.812	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000128484730	426118645	/nfs/dbraw/zinc/11/86/45/426118645.db2.gz	DEOIUTKMOYEVHD-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
Cc1cc(C(=O)CON=C(N)C(C)C)c(C)n1CC(F)(F)F	ZINC000128545672	426122964	/nfs/dbraw/zinc/12/29/64/426122964.db2.gz	KZRMBALFDGZQHE-UHFFFAOYSA-N	0	3	319.327	2.795	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)Cc1cccc(C#N)c1	ZINC000077250875	426124597	/nfs/dbraw/zinc/12/45/97/426124597.db2.gz	XSIUXSDMFHZOGH-UHFFFAOYSA-N	0	3	321.380	2.949	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000114201624	426129155	/nfs/dbraw/zinc/12/91/55/426129155.db2.gz	OTGWPYZKGVPIGK-QGZVFWFLSA-N	0	3	323.400	2.837	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000114201627	426129615	/nfs/dbraw/zinc/12/96/15/426129615.db2.gz	OTGWPYZKGVPIGK-KRWDZBQOSA-N	0	3	323.400	2.837	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NCc1ccc(CN(C)C)cc1	ZINC000338164386	268630935	/nfs/dbraw/zinc/63/09/35/268630935.db2.gz	FMXGUMWBVYYAKY-UHFFFAOYSA-N	0	3	307.397	2.858	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cccnc1)C(C)C	ZINC000127779256	426086472	/nfs/dbraw/zinc/08/64/72/426086472.db2.gz	CFBPZZKKDLTMME-MRXNPFEDSA-N	0	3	302.422	2.902	20	30		DFEDHN
CC(C)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000075833444	426086464	/nfs/dbraw/zinc/08/64/64/426086464.db2.gz	ROOYWBBUUGPFQA-QGZVFWFLSA-N	0	3	302.418	2.666	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000134956884	426201130	/nfs/dbraw/zinc/20/11/30/426201130.db2.gz	MJTLNRMZTIHIGX-GOSISDBHSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c[nH]c3cc(F)ccc23)CC1	ZINC000171716954	426206711	/nfs/dbraw/zinc/20/67/11/426206711.db2.gz	NWKWUGIDDNNEOG-UHFFFAOYSA-N	0	3	315.392	2.616	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2Cl)CC1	ZINC000171719452	426206741	/nfs/dbraw/zinc/20/67/41/426206741.db2.gz	QATBDUFXCQBGJY-ZDUSSCGKSA-N	0	3	322.836	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sccc2-n2cccc2)CC1	ZINC000171720966	426206772	/nfs/dbraw/zinc/20/67/72/426206772.db2.gz	JTWGUQMQNUCBEH-UHFFFAOYSA-N	0	3	315.442	2.919	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1	ZINC000171680144	426204451	/nfs/dbraw/zinc/20/44/51/426204451.db2.gz	TVEUGHSEFIOWPQ-UHFFFAOYSA-N	0	3	307.825	2.790	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(C3OCCO3)CC2)c1	ZINC000130069881	426145651	/nfs/dbraw/zinc/14/56/51/426145651.db2.gz	FBGVOJMHESHLKS-UHFFFAOYSA-N	0	3	303.402	2.836	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000077805400	426151089	/nfs/dbraw/zinc/15/10/89/426151089.db2.gz	FOBYVWFOTGDLTP-CABCVRRESA-N	0	3	314.433	2.793	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cn1	ZINC000115322025	426161061	/nfs/dbraw/zinc/16/10/61/426161061.db2.gz	BINMIIFYCPPKLA-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
CN(CCC#N)C(=O)CCN(Cc1ccco1)C1CCCC1	ZINC000131176540	426163469	/nfs/dbraw/zinc/16/34/69/426163469.db2.gz	JFUKQQCXCVCPFA-UHFFFAOYSA-N	0	3	303.406	2.786	20	30		DFEDHN
C[C@H](c1ccc(F)c(F)c1)N(C)CCC(=O)N(C)CCC#N	ZINC000130963889	426164193	/nfs/dbraw/zinc/16/41/93/426164193.db2.gz	BHQVMSAYYALGHG-GFCCVEGCSA-N	0	3	309.360	2.720	20	30		DFEDHN
Cc1cccc(C(C)(C)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000115598613	426169080	/nfs/dbraw/zinc/16/90/80/426169080.db2.gz	RVNMRIPIMBLOCL-GOSISDBHSA-N	0	3	321.424	2.961	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1)C1CC1	ZINC000133428235	426177039	/nfs/dbraw/zinc/17/70/39/426177039.db2.gz	ZHAUHHHWLJHWSQ-AOIWGVFYSA-N	0	3	311.429	2.721	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2C)CC1	ZINC000171718493	426206266	/nfs/dbraw/zinc/20/62/66/426206266.db2.gz	YCPHDMCEKVWLIS-INIZCTEOSA-N	0	3	315.461	2.876	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(C#N)cc2)CN1Cc1ccccc1	ZINC000134917720	426200149	/nfs/dbraw/zinc/20/01/49/426200149.db2.gz	WNRCZPIKJHJVNY-KXBFYZLASA-N	0	3	319.408	2.951	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3CCCC[C@@H]3C2)C1=O	ZINC000083243485	426229421	/nfs/dbraw/zinc/22/94/21/426229421.db2.gz	NNXGJPISPPCEQZ-ZNMIVQPWSA-N	0	3	315.442	2.847	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1cccc(C#N)c1	ZINC000084251165	426234976	/nfs/dbraw/zinc/23/49/76/426234976.db2.gz	NLCWSPGRGPBSII-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@H](C)N2CCC(C)CC2)s1	ZINC000136222800	426238527	/nfs/dbraw/zinc/23/85/27/426238527.db2.gz	IPLGNGQIVJYAQV-ZDUSSCGKSA-N	0	3	322.478	2.591	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccccc1O)C(C)C	ZINC000084926534	426246103	/nfs/dbraw/zinc/24/61/03/426246103.db2.gz	ANXIQJNBHXWCCQ-QGZVFWFLSA-N	0	3	316.445	2.750	20	30		DFEDHN
CC(C)(O)[C@@H]1CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000119069812	426259384	/nfs/dbraw/zinc/25/93/84/426259384.db2.gz	HVKIELDPIUCXEW-INIZCTEOSA-N	0	3	311.385	2.949	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NCc1ccc2c(c1)OCO2	ZINC000150880360	426265388	/nfs/dbraw/zinc/26/53/88/426265388.db2.gz	VQFUYTBFTSANHN-UHFFFAOYSA-N	0	3	318.417	2.710	20	30		DFEDHN
CCCCN(CCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000174853637	426266629	/nfs/dbraw/zinc/26/66/29/426266629.db2.gz	LJXFGJGYLYPUGJ-CQSZACIVSA-N	0	3	300.468	2.606	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](OCC)c2ccccc2)CC1	ZINC000171714889	426206955	/nfs/dbraw/zinc/20/69/55/426206955.db2.gz	VGFAIZLQSZPFGE-KRWDZBQOSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)CCc2ccc(F)cc2)CC1	ZINC000171739112	426207908	/nfs/dbraw/zinc/20/79/08/426207908.db2.gz	LFGZWRZINPDQKB-UHFFFAOYSA-N	0	3	319.424	2.660	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1	ZINC000171729478	426208098	/nfs/dbraw/zinc/20/80/98/426208098.db2.gz	UDAUPXTUFLVTFQ-BQYQJAHWSA-N	0	3	309.413	2.728	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)ccc2OC)CC1	ZINC000171725993	426208216	/nfs/dbraw/zinc/20/82/16/426208216.db2.gz	IOCJHSWNULTIOS-UHFFFAOYSA-N	0	3	308.809	2.729	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(F)ccc2F)CC1	ZINC000080079749	426210510	/nfs/dbraw/zinc/21/05/10/426210510.db2.gz	IZTOVUUJHAOMBH-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000121154506	426321850	/nfs/dbraw/zinc/32/18/50/426321850.db2.gz	LYJUETBFLJIFAV-UHFFFAOYSA-N	0	3	303.431	2.945	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3ccnn3)cc2)n1	ZINC000089964335	426322278	/nfs/dbraw/zinc/32/22/78/426322278.db2.gz	QFAIHPIVGMGAFD-ZDUSSCGKSA-N	0	3	309.354	2.522	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1	ZINC000175866106	426335789	/nfs/dbraw/zinc/33/57/89/426335789.db2.gz	QYPYSXOFWBPHGO-WCJKSRRJSA-N	0	3	320.458	2.736	20	30		DFEDHN
C=CCNC(=O)CN(CCc1cccc(F)c1)C1CCCC1	ZINC000152615096	426348553	/nfs/dbraw/zinc/34/85/53/426348553.db2.gz	HFYVRYNCKGSBDP-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](CCC(N)=O)C1	ZINC000092660267	426351989	/nfs/dbraw/zinc/35/19/89/426351989.db2.gz	DJQCUAZXQTVLRV-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCc1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc(OC)c1O	ZINC000093479729	426355827	/nfs/dbraw/zinc/35/58/27/426355827.db2.gz	MYVWARFITPJMNQ-BYICEURKSA-N	0	3	317.429	2.722	20	30		DFEDHN
COC(=O)[C@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000093813648	426358836	/nfs/dbraw/zinc/35/88/36/426358836.db2.gz	CJIHUZAMGWCWJC-GOSISDBHSA-N	0	3	316.401	2.754	20	30		DFEDHN
C#CCSCCNCc1ccc(OC)c(OC(F)F)c1	ZINC000152927582	426361964	/nfs/dbraw/zinc/36/19/64/426361964.db2.gz	DQXHABVAZOMSSP-UHFFFAOYSA-N	0	3	301.358	2.753	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176344070	426372184	/nfs/dbraw/zinc/37/21/84/426372184.db2.gz	IGWIKPHDWJJUNV-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@H](CC)C2)CC1	ZINC000176498953	426388704	/nfs/dbraw/zinc/38/87/04/426388704.db2.gz	KRSPQALGGOKEHB-OAHLLOKOSA-N	0	3	311.495	2.564	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C	ZINC000176880256	426421441	/nfs/dbraw/zinc/42/14/41/426421441.db2.gz	PBBHYHLGYQFUBV-CKEIUWERSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1CCOC	ZINC000177132381	426446770	/nfs/dbraw/zinc/44/67/70/426446770.db2.gz	WRLPNQYSAPHZMX-SFHVURJKSA-N	0	3	320.864	2.734	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NCC(=O)NCc1cccc(C#N)c1	ZINC000341060421	269036410	/nfs/dbraw/zinc/03/64/10/269036410.db2.gz	NPTJVTQDUNKADJ-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
C[C@@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccccc1	ZINC000123766908	426452904	/nfs/dbraw/zinc/45/29/04/426452904.db2.gz	AMJPVUVZHGRLSA-AWEZNQCLSA-N	0	3	306.369	2.763	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1	ZINC000123794681	426454027	/nfs/dbraw/zinc/45/40/27/426454027.db2.gz	YLZFQWULDLABFG-OAHLLOKOSA-N	0	3	312.392	2.886	20	30		DFEDHN
CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(OC)cc1	ZINC000124173506	426473633	/nfs/dbraw/zinc/47/36/33/426473633.db2.gz	LOZROPLATVZSOX-WMZOPIPTSA-N	0	3	315.417	2.544	20	30		DFEDHN
C=CCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177379521	426474051	/nfs/dbraw/zinc/47/40/51/426474051.db2.gz	NEMSLEBIJRMGIS-AWEZNQCLSA-N	0	3	300.324	2.962	20	30		DFEDHN
CC(C)(C#N)CCCN[C@](C)(C(N)=O)c1cccc(Cl)c1	ZINC000177403068	426476141	/nfs/dbraw/zinc/47/61/41/426476141.db2.gz	DFLRURXWUNLRHZ-INIZCTEOSA-N	0	3	307.825	2.960	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cccc3ccccc32)CC1	ZINC000098093221	426478120	/nfs/dbraw/zinc/47/81/20/426478120.db2.gz	AKLKVMVIEOOUAK-UHFFFAOYSA-N	0	3	306.409	2.801	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCN(C2CC2)CC1	ZINC000195391008	426523615	/nfs/dbraw/zinc/52/36/15/426523615.db2.gz	VTVDQCVLRKAXSB-UHFFFAOYSA-N	0	3	323.440	2.947	20	30		DFEDHN
CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000280229454	426525836	/nfs/dbraw/zinc/52/58/36/426525836.db2.gz	AJCLNDYQHYOTOZ-KSSFIOAISA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1	ZINC000272454668	426529235	/nfs/dbraw/zinc/52/92/35/426529235.db2.gz	QCEGZMTXVZPQIN-PBHICJAKSA-N	0	3	315.417	2.809	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000177913096	426536515	/nfs/dbraw/zinc/53/65/15/426536515.db2.gz	KBBCMNRBXCMNBM-UHFFFAOYSA-N	0	3	316.380	2.859	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](CNC(=O)C(C)C)C1	ZINC000186199266	426493181	/nfs/dbraw/zinc/49/31/81/426493181.db2.gz	HNXHUWBZIZFCIQ-QGZVFWFLSA-N	0	3	313.445	2.851	20	30		DFEDHN
CCn1cnnc1[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186196249	426493658	/nfs/dbraw/zinc/49/36/58/426493658.db2.gz	CKZKETUAFHUUMU-KRWDZBQOSA-N	0	3	309.417	2.858	20	30		DFEDHN
CN(C)c1noc([C@@H]2CCCN(CC(C)(C)CCC#N)C2)n1	ZINC000194939107	426495886	/nfs/dbraw/zinc/49/58/86/426495886.db2.gz	MEBHXORXFQYZCH-CYBMUJFWSA-N	0	3	305.426	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(SC)CCC2)CC1	ZINC000194955807	426497129	/nfs/dbraw/zinc/49/71/29/426497129.db2.gz	CFPJZUJVDYFBJA-UHFFFAOYSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOc2cccc(C)c2)CC1	ZINC000264529724	426569369	/nfs/dbraw/zinc/56/93/69/426569369.db2.gz	ZROSCFSTQCHEQC-UHFFFAOYSA-N	0	3	316.445	2.921	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)cc1	ZINC000178094856	426570844	/nfs/dbraw/zinc/57/08/44/426570844.db2.gz	QULHFJXXYACGCK-ZIAGYGMSSA-N	0	3	302.418	2.652	20	30		DFEDHN
Cc1nnc(NC[C@H](C)N(C)Cc2ccccc2)c(C#N)c1C	ZINC000264698074	426575778	/nfs/dbraw/zinc/57/57/78/426575778.db2.gz	DMJRROGHUPBHEX-ZDUSSCGKSA-N	0	3	309.417	2.898	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccc(F)cc1C#N	ZINC000289113865	426585643	/nfs/dbraw/zinc/58/56/43/426585643.db2.gz	QUQWUTFHDUPQJI-IUODEOHRSA-N	0	3	316.380	2.788	20	30		DFEDHN
COC(C)(C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280528508	426592837	/nfs/dbraw/zinc/59/28/37/426592837.db2.gz	SFYPYLRQAAXXPE-BBRMVZONSA-N	0	3	313.401	2.560	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CCC1	ZINC000187030099	426622028	/nfs/dbraw/zinc/62/20/28/426622028.db2.gz	IGZJHFGPGQIUTL-UHFFFAOYSA-N	0	3	311.429	2.533	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2csc(C(C)(C)C)n2)CC1	ZINC000264474326	426559257	/nfs/dbraw/zinc/55/92/57/426559257.db2.gz	JQNXUJCMBANWKB-UHFFFAOYSA-N	0	3	307.463	2.821	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2ccc(C)c(C)c2)CC1	ZINC000264484454	426561046	/nfs/dbraw/zinc/56/10/46/426561046.db2.gz	MHBUNMQJSFWMNM-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(COC(C)C)cc2)CC1	ZINC000264492488	426563998	/nfs/dbraw/zinc/56/39/98/426563998.db2.gz	OHYVJBCHPZMSIQ-UHFFFAOYSA-N	0	3	316.445	2.992	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc(Cl)c(C)c1C#N	ZINC000273275653	426632648	/nfs/dbraw/zinc/63/26/48/426632648.db2.gz	CLJPHFYTRVLMPH-OLZOCXBDSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C(=O)NC1CC1)c1ccccc1	ZINC000280696146	426637107	/nfs/dbraw/zinc/63/71/07/426637107.db2.gz	RYEBKQULTKIYBM-NXHRZFHOSA-N	0	3	314.429	2.577	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OC)c(OC)c1OC	ZINC000280717383	426641013	/nfs/dbraw/zinc/64/10/13/426641013.db2.gz	URKGTYXVFNFCPX-GDBMZVCRSA-N	0	3	321.417	2.783	20	30		DFEDHN
C=CCCOCCNCc1ccc(OC)c(OC(F)F)c1	ZINC000229879603	426642104	/nfs/dbraw/zinc/64/21/04/426642104.db2.gz	HKTXQLMVWUYALU-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H]1CCN(CCOc2cccc(C#N)c2)C1	ZINC000178519947	426645143	/nfs/dbraw/zinc/64/51/43/426645143.db2.gz	JBOKWJVROIVZFF-HNNXBMFYSA-N	0	3	316.401	2.601	20	30		DFEDHN
N#Cc1ccc(Cl)cc1N1CCN(CC2CCOCC2)CC1	ZINC000265498600	426647005	/nfs/dbraw/zinc/64/70/05/426647005.db2.gz	MIPRPWIXGRKGIN-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000289428861	426653466	/nfs/dbraw/zinc/65/34/66/426653466.db2.gz	IVMSONGPKJWMFU-ACJLOTCBSA-N	0	3	317.408	2.948	20	30		DFEDHN
C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccc(C#N)cc1	ZINC000289428867	426654354	/nfs/dbraw/zinc/65/43/54/426654354.db2.gz	IVMSONGPKJWMFU-SCLBCKFNSA-N	0	3	317.408	2.948	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1	ZINC000280861755	426672804	/nfs/dbraw/zinc/67/28/04/426672804.db2.gz	ZGYWUXGQUHYCCU-XQQFMLRXSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=CCOc1ccccc1CNC1CCN(C(=O)C(C)C)CC1	ZINC000236772463	426684112	/nfs/dbraw/zinc/68/41/12/426684112.db2.gz	DCFFIRIWEMNPTI-UHFFFAOYSA-N	0	3	316.445	2.988	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000280907567	426684319	/nfs/dbraw/zinc/68/43/19/426684319.db2.gz	FKIOHZDOGVFXDB-LJQANCHMSA-N	0	3	323.396	2.623	20	30		DFEDHN
C=CCc1cc(CNCC2([S@](C)=O)CCC2)cc(OC)c1O	ZINC000280653762	426627175	/nfs/dbraw/zinc/62/71/75/426627175.db2.gz	OLXCQHGOHWXHEA-QFIPXVFZSA-N	0	3	323.458	2.520	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cncs1)C(C)C	ZINC000187933471	426708150	/nfs/dbraw/zinc/70/81/50/426708150.db2.gz	SYXLSODHHLWVSQ-HNNXBMFYSA-N	0	3	307.463	2.500	20	30		DFEDHN
C=C(C)[C@H](N[C@@H](C)CN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187773962	426693234	/nfs/dbraw/zinc/69/32/34/426693234.db2.gz	LWNYNTSUSIVSCU-GUYCJALGSA-N	0	3	310.388	2.892	20	30		DFEDHN
COc1cc(CNC[C@@H](O)CCc2ccccc2)ccc1C#N	ZINC000281798954	426768841	/nfs/dbraw/zinc/76/88/41/426768841.db2.gz	VDLDEQMPHWLMAR-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)c1	ZINC000245814225	426774379	/nfs/dbraw/zinc/77/43/79/426774379.db2.gz	ZYWJGZWWLUGUSH-FUHWJXTLSA-N	0	3	318.461	2.528	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CN1C1CC1	ZINC000290503679	426779327	/nfs/dbraw/zinc/77/93/27/426779327.db2.gz	AWYXREDRBAWANH-CMPLNLGQSA-N	0	3	315.808	2.896	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1CCN2CCC[C@H]2C1	ZINC000266434249	426726756	/nfs/dbraw/zinc/72/67/56/426726756.db2.gz	USWLVSXCCDYVPE-HNNXBMFYSA-N	0	3	310.376	2.838	20	30		DFEDHN
CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000245446289	426739756	/nfs/dbraw/zinc/73/97/56/426739756.db2.gz	LALHOVVXEXPVBI-RBSFLKMASA-N	0	3	311.495	2.601	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000281687852	426744935	/nfs/dbraw/zinc/74/49/35/426744935.db2.gz	GESQDUZYFOIYGI-UHFFFAOYSA-N	0	3	323.396	2.854	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C	ZINC000245528797	426748515	/nfs/dbraw/zinc/74/85/15/426748515.db2.gz	GEAYJJYIHPUBQI-KEYYUXOJSA-N	0	3	320.458	2.746	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000245694930	426763651	/nfs/dbraw/zinc/76/36/51/426763651.db2.gz	RGVYUWAEUMNGKD-SWLSCSKDSA-N	0	3	300.406	2.813	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000246160517	426805088	/nfs/dbraw/zinc/80/50/88/426805088.db2.gz	JDNYWRLVGHDLGG-OLZOCXBDSA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000246243714	426812212	/nfs/dbraw/zinc/81/22/12/426812212.db2.gz	GJUIFKUIMIGVQW-KEYYUXOJSA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC(C)C)CC2)cc(OC)c1O	ZINC000179679276	426812995	/nfs/dbraw/zinc/81/29/95/426812995.db2.gz	ZOXHZXYHYONULP-UHFFFAOYSA-N	0	3	318.461	2.903	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(n3c(C)ccc3C)CC2)C1=O	ZINC000282031516	426816363	/nfs/dbraw/zinc/81/63/63/426816363.db2.gz	QCPMMSFNQDEZAX-QGZVFWFLSA-N	0	3	301.434	2.529	20	30		DFEDHN
N#CCC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1	ZINC000246430065	426832177	/nfs/dbraw/zinc/83/21/77/426832177.db2.gz	COEFCYPBOZSSSS-IRXDYDNUSA-N	0	3	312.417	2.521	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000268117785	426916567	/nfs/dbraw/zinc/91/65/67/426916567.db2.gz	FFUNQCYOPHNBQH-MAUKXSAKSA-N	0	3	313.445	2.867	20	30		DFEDHN
CC#CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282822539	426924058	/nfs/dbraw/zinc/92/40/58/426924058.db2.gz	RQGZAZVPDNRXJQ-QGZVFWFLSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCCCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO	ZINC000180874777	426895143	/nfs/dbraw/zinc/89/51/43/426895143.db2.gz	SJRSFWLGDFGHIV-GOSISDBHSA-N	0	3	316.445	2.616	20	30		DFEDHN
COc1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)ccc1C#N	ZINC000282419962	426907775	/nfs/dbraw/zinc/90/77/75/426907775.db2.gz	SPODLGOXRFYUEC-FUHWJXTLSA-N	0	3	300.402	2.694	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)c(OC)c1	ZINC000282441438	426913274	/nfs/dbraw/zinc/91/32/74/426913274.db2.gz	UNUQHAWHXHRHGE-QAPCUYQASA-N	0	3	316.401	2.778	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1N1CCCC1	ZINC000275903392	426946057	/nfs/dbraw/zinc/94/60/57/426946057.db2.gz	ZYRMPJQOMODRKQ-UONOGXRCSA-N	0	3	322.865	2.623	20	30		DFEDHN
CCOC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C	ZINC000189795253	426951175	/nfs/dbraw/zinc/95/11/75/426951175.db2.gz	DBJJDUOXFFSCRZ-CZUORRHYSA-N	0	3	303.406	2.536	20	30		DFEDHN
C[C@@H](NCc1cccnc1-n1ccnc1)c1cccc(C#N)c1	ZINC000181475692	426952443	/nfs/dbraw/zinc/95/24/43/426952443.db2.gz	PMOBTUJVJVGRKH-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)[C@H]1OCCc2sccc21	ZINC000291731838	426966722	/nfs/dbraw/zinc/96/67/22/426966722.db2.gz	NXTVLTKVHCBDEW-MEDUHNTESA-N	0	3	301.415	2.750	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(N2CCC2=O)c1	ZINC000328617100	426980488	/nfs/dbraw/zinc/98/04/88/426980488.db2.gz	TVOLEUUGDRIWKD-ZIAGYGMSSA-N	0	3	315.417	2.753	20	30		DFEDHN
C[N@H+](CCNC(=O)c1cc(F)cc2nn[n-]c21)C1CCCCC1	ZINC000328657724	426986208	/nfs/dbraw/zinc/98/62/08/426986208.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[N@@H+](CCNC(=O)c1cc(F)cc2nn[n-]c21)C1CCCCC1	ZINC000328657724	426986216	/nfs/dbraw/zinc/98/62/16/426986216.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[N@H+](CCNC(=O)c1cc(F)cc2[n-]nnc21)C1CCCCC1	ZINC000328657724	426986223	/nfs/dbraw/zinc/98/62/23/426986223.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[N@@H+](CCNC(=O)c1cc(F)cc2[n-]nnc21)C1CCCCC1	ZINC000328657724	426986228	/nfs/dbraw/zinc/98/62/28/426986228.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[N@H+](CCNC(=O)c1cc(F)cc2n[n-]nc21)C1CCCCC1	ZINC000328657724	426986233	/nfs/dbraw/zinc/98/62/33/426986233.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[N@@H+](CCNC(=O)c1cc(F)cc2n[n-]nc21)C1CCCCC1	ZINC000328657724	426986238	/nfs/dbraw/zinc/98/62/38/426986238.db2.gz	PQFIPLRCVCUCRR-UHFFFAOYSA-N	0	3	319.384	2.666	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181300215	426934045	/nfs/dbraw/zinc/93/40/45/426934045.db2.gz	FOGYSIIGTQKKOY-CQSZACIVSA-N	0	3	322.412	2.842	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1	ZINC000247450614	426938796	/nfs/dbraw/zinc/93/87/96/426938796.db2.gz	ZGIPNVPIPZNXDP-WMZOPIPTSA-N	0	3	314.429	2.808	20	30		DFEDHN
CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1ccccc1	ZINC000328801266	426997687	/nfs/dbraw/zinc/99/76/87/426997687.db2.gz	ABFZZSDKIZLWGO-IJEWVQPXSA-N	0	3	301.390	2.755	20	30		DFEDHN
COCC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)(C)C	ZINC000337866560	427009209	/nfs/dbraw/zinc/00/92/09/427009209.db2.gz	QMURQTMEXGTCCE-CJNGLKHVSA-N	0	3	317.433	2.926	20	30		DFEDHN
O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCn2cncc2C1	ZINC000328913777	427013555	/nfs/dbraw/zinc/01/35/55/427013555.db2.gz	IKXJMWUZQRWQKO-DLBZAZTESA-N	0	3	324.428	2.677	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNc2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000268468860	427025339	/nfs/dbraw/zinc/02/53/39/427025339.db2.gz	IVPZEYRSDDNHOD-GFCCVEGCSA-N	0	3	317.393	2.784	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268523326	427042380	/nfs/dbraw/zinc/04/23/80/427042380.db2.gz	VJSVEYSFOVYHMA-JHJVBQTASA-N	0	3	317.393	2.640	20	30		DFEDHN
O=C(NCCOc1cncc(Cl)c1)C1CCN(C2CC2)CC1	ZINC000329089043	427042704	/nfs/dbraw/zinc/04/27/04/427042704.db2.gz	VYCNAXFCQREKEW-UHFFFAOYSA-N	0	3	323.824	2.945	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOCc2ccc(Cl)nc2)cc1	ZINC000268520015	427042858	/nfs/dbraw/zinc/04/28/58/427042858.db2.gz	USUUCZLEIKHEGP-UHFFFAOYSA-N	0	3	318.808	2.634	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000276351778	427043997	/nfs/dbraw/zinc/04/39/97/427043997.db2.gz	DJRKULVTCATZMT-CQSZACIVSA-N	0	3	320.433	2.559	20	30		DFEDHN
C[C@H]1CC[C@H](CN2CCCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000190298016	427068446	/nfs/dbraw/zinc/06/84/46/427068446.db2.gz	NKLSEZSMTZOWIP-QFBILLFUSA-N	0	3	313.445	2.633	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2oc(CC(C)C)nc2C)CC1	ZINC000190314012	427073106	/nfs/dbraw/zinc/07/31/06/427073106.db2.gz	VOQINLLQXXQLQX-UHFFFAOYSA-N	0	3	319.449	2.952	20	30		DFEDHN
CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21	ZINC000268631543	427074865	/nfs/dbraw/zinc/07/48/65/427074865.db2.gz	BUIAUCSSRMZBNG-PMACEKPBSA-N	0	3	322.408	2.837	20	30		DFEDHN
CCN(CCN1CCOC[C@H]1C)[C@H](C)c1ccc(C#N)cc1	ZINC000249013333	427075109	/nfs/dbraw/zinc/07/51/09/427075109.db2.gz	IZLYQYQTLTUUJM-HZPDHXFCSA-N	0	3	301.434	2.662	20	30		DFEDHN
CCOC(=O)c1csc(CCNCc2ccc(C#N)s2)n1	ZINC000190351406	427083688	/nfs/dbraw/zinc/08/36/88/427083688.db2.gz	DPOSEBXVFGCOLP-UHFFFAOYSA-N	0	3	321.427	2.585	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329298552	427083932	/nfs/dbraw/zinc/08/39/32/427083932.db2.gz	URGURWRDCJGOTG-UMVBOHGHSA-N	0	3	324.469	2.508	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C)[C@H](OC)C2)cc(OC)c1O	ZINC000249107067	427087495	/nfs/dbraw/zinc/08/74/95/427087495.db2.gz	AAVFEKFVVVZVBP-SUMWQHHRSA-N	0	3	305.418	2.986	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)CCNC(=O)C1CCCCC1	ZINC000329305646	427088281	/nfs/dbraw/zinc/08/82/81/427088281.db2.gz	OXVGMRYYVBRYHU-OAHLLOKOSA-N	0	3	323.481	2.714	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCN(Cc2ccc(F)cc2)CC1	ZINC000268672375	427088597	/nfs/dbraw/zinc/08/85/97/427088597.db2.gz	USMDSAVSKJEKQI-GOSISDBHSA-N	0	3	306.425	2.661	20	30		DFEDHN
C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1CO	ZINC000190367940	427089451	/nfs/dbraw/zinc/08/94/51/427089451.db2.gz	DOVVHAFTTDGCSL-IUODEOHRSA-N	0	3	313.319	2.639	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)C(C)C	ZINC000329404044	427110977	/nfs/dbraw/zinc/11/09/77/427110977.db2.gz	ZYKSYYBMTWZYGU-HZPDHXFCSA-N	0	3	323.481	2.854	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCCO1	ZINC000329460254	427119338	/nfs/dbraw/zinc/11/93/38/427119338.db2.gz	RVFWNFYUTWCOMR-PWSUYJOCSA-N	0	3	309.435	2.767	20	30		DFEDHN
CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccccc2C#N)C1	ZINC000190478231	427121225	/nfs/dbraw/zinc/12/12/25/427121225.db2.gz	FGMIYFQCISLLFE-GOSISDBHSA-N	0	3	320.440	2.907	20	30		DFEDHN
C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)C1=CCN(C)CC1	ZINC000329518827	427131901	/nfs/dbraw/zinc/13/19/01/427131901.db2.gz	PVRPPTXXIZWBLF-LBPRGKRZSA-N	0	3	320.437	2.907	20	30		DFEDHN
CCc1nnc(C)cc1C(=O)N[C@H]1CCN(C2CCCC2)C1	ZINC000329525405	427133352	/nfs/dbraw/zinc/13/33/52/427133352.db2.gz	QZNTUWXZXIBKFN-ZDUSSCGKSA-N	0	3	302.422	2.669	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)C2	ZINC000329552627	427141245	/nfs/dbraw/zinc/14/12/45/427141245.db2.gz	GFDHMKAPOMRFBT-GOEBONIOSA-N	0	3	316.449	2.727	20	30		DFEDHN
C=CC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182778196	427143069	/nfs/dbraw/zinc/14/30/69/427143069.db2.gz	YFNLYUZTSQKNTI-SFHVURJKSA-N	0	3	309.413	2.952	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C12CCCC2	ZINC000329568305	427143137	/nfs/dbraw/zinc/14/31/37/427143137.db2.gz	HZLJDFYRFKGHHM-KWCYVHTRSA-N	0	3	323.437	2.735	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NCCN1CCCC[C@H]1C)C2	ZINC000329509262	427130641	/nfs/dbraw/zinc/13/06/41/427130641.db2.gz	JPRFNAGGZRERRM-HIFRSBDPSA-N	0	3	304.438	2.585	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(N2CCOC2=O)c1	ZINC000190880526	271224905	/nfs/dbraw/zinc/22/49/05/271224905.db2.gz	LWPKVGUAOXXAKN-CYBMUJFWSA-N	0	3	324.384	2.704	20	30		DFEDHN
Cc1ccoc1C(=O)NCCCNCc1ccc(C#N)cc1F	ZINC000269422147	427192990	/nfs/dbraw/zinc/19/29/90/427192990.db2.gz	MDIUYXCNAVMFIF-UHFFFAOYSA-N	0	3	315.348	2.509	20	30		DFEDHN
Cc1nc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c(Cl)cc1C#N	ZINC000292540612	427193578	/nfs/dbraw/zinc/19/35/78/427193578.db2.gz	IHDOXFBDJBRSMZ-FZMZJTMJSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)c(F)c1	ZINC000269444929	427197054	/nfs/dbraw/zinc/19/70/54/427197054.db2.gz	UJKVPJQILWAFDN-LBPRGKRZSA-N	0	3	315.314	2.671	20	30		DFEDHN
C[C@H](C#N)CN(C(=O)Nc1cccc(CN(C)C)c1)C1CC1	ZINC000338239753	427207284	/nfs/dbraw/zinc/20/72/84/427207284.db2.gz	RBHLLNFIXRBPGM-CYBMUJFWSA-N	0	3	300.406	2.904	20	30		DFEDHN
CCOC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000285604019	427284659	/nfs/dbraw/zinc/28/46/59/427284659.db2.gz	CBRSKXPMYWPQOZ-HNNXBMFYSA-N	0	3	323.824	2.801	20	30		DFEDHN
Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC(C)C)cc1C	ZINC000330657686	427284864	/nfs/dbraw/zinc/28/48/64/427284864.db2.gz	WASBKIXWBKPEBM-KBPBESRZSA-N	0	3	305.422	2.781	20	30		DFEDHN
COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc(C)n1	ZINC000330378754	427225426	/nfs/dbraw/zinc/22/54/26/427225426.db2.gz	KHASHUYUPOLVAZ-TZMCWYRMSA-N	0	3	305.422	2.824	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1	ZINC000338274056	427227719	/nfs/dbraw/zinc/22/77/19/427227719.db2.gz	KCLZAJJWMIDCLP-MNOVXSKESA-N	0	3	307.419	2.500	20	30		DFEDHN
COC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000269634627	427234992	/nfs/dbraw/zinc/23/49/92/427234992.db2.gz	WZRCNZZMIYCACN-CQSZACIVSA-N	0	3	313.319	2.905	20	30		DFEDHN
C#CCCCC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC	ZINC000277586945	427251100	/nfs/dbraw/zinc/25/11/00/427251100.db2.gz	ZYARVURJCFVISH-SFHVURJKSA-N	0	3	313.445	2.698	20	30		DFEDHN
Cn1cc(CNCCc2nc(-c3ccccn3)cs2)cc1C#N	ZINC000191132080	427265196	/nfs/dbraw/zinc/26/51/96/427265196.db2.gz	IPNORMHGKBUZRC-UHFFFAOYSA-N	0	3	323.425	2.748	20	30		DFEDHN
C[C@H](C1CCCCC1)N(C)CC(=O)N(CCC#N)CCC#N	ZINC000338345396	427267885	/nfs/dbraw/zinc/26/78/85/427267885.db2.gz	IWQBTQICJLLZIP-OAHLLOKOSA-N	0	3	304.438	2.543	20	30		DFEDHN
C[C@H]1CN(CCCNc2c(F)cc(C#N)cc2F)CCCO1	ZINC000277634735	427269111	/nfs/dbraw/zinc/26/91/11/427269111.db2.gz	NDJVHGJOXIILMB-LBPRGKRZSA-N	0	3	309.360	2.749	20	30		DFEDHN
CC(C)C[C@H](C)n1nccc1NC(=O)NC1CCN(C)CC1	ZINC000330874256	427309950	/nfs/dbraw/zinc/30/99/50/427309950.db2.gz	IIBQXIOHGDHEDG-ZDUSSCGKSA-N	0	3	307.442	2.910	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C	ZINC000330972768	427320412	/nfs/dbraw/zinc/32/04/12/427320412.db2.gz	NIGKSUVTHUYAKX-ZWNOBZJWSA-N	0	3	324.356	2.694	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C	ZINC000330972764	427320479	/nfs/dbraw/zinc/32/04/79/427320479.db2.gz	NIGKSUVTHUYAKX-GXFFZTMASA-N	0	3	324.356	2.694	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2sccc2C#N)C[C@@H]1OC	ZINC000191369961	427333015	/nfs/dbraw/zinc/33/30/15/427333015.db2.gz	YVXIBIMGDZYHAH-OLZOCXBDSA-N	0	3	321.446	2.742	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1	ZINC000270364936	427334344	/nfs/dbraw/zinc/33/43/44/427334344.db2.gz	SEYFRGMDDAGENJ-SZMVWBNQSA-N	0	3	313.445	2.875	20	30		DFEDHN
CC(C)N1CCCN(c2ncc(Br)cc2C#N)CC1	ZINC000297166073	427347724	/nfs/dbraw/zinc/34/77/24/427347724.db2.gz	PFEHFXYVAWOCGF-UHFFFAOYSA-N	0	3	323.238	2.636	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1C	ZINC000331109770	427349155	/nfs/dbraw/zinc/34/91/55/427349155.db2.gz	HWIJJTLEIMESNA-ZFWWWQNUSA-N	0	3	321.469	2.982	20	30		DFEDHN
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000277878613	427349316	/nfs/dbraw/zinc/34/93/16/427349316.db2.gz	NXRDKFJCIDMSOV-WFASDCNBSA-N	0	3	319.405	2.886	20	30		DFEDHN
CC(=O)Nc1ccc(C)c(NC(=O)NCC2=CCN(C)CC2)c1	ZINC000330689583	427293928	/nfs/dbraw/zinc/29/39/28/427293928.db2.gz	POVGZFWOYNIXOR-UHFFFAOYSA-N	0	3	316.405	2.541	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cccc(C)c3C2)CC1	ZINC000277726264	427296181	/nfs/dbraw/zinc/29/61/81/427296181.db2.gz	UCHGYRZRFDMWKW-UHFFFAOYSA-N	0	3	313.445	2.713	20	30		DFEDHN
CC(C)Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc(=O)[nH]1	ZINC000330717526	427296993	/nfs/dbraw/zinc/29/69/93/427296993.db2.gz	UYIDOHJFJJTPKO-TZMCWYRMSA-N	0	3	305.422	2.773	20	30		DFEDHN
CCC(CC)(CC(=O)OC)NCc1ccc(C#N)cc1OC	ZINC000271008148	427369903	/nfs/dbraw/zinc/36/99/03/427369903.db2.gz	HKKZFDAKSJZDOT-UHFFFAOYSA-N	0	3	304.390	2.778	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(C)(CO)CC2)cc1OC	ZINC000184072858	427388313	/nfs/dbraw/zinc/38/83/13/427388313.db2.gz	NOMBIRITWQWSBG-UHFFFAOYSA-N	0	3	305.418	2.854	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000297361472	427401947	/nfs/dbraw/zinc/40/19/47/427401947.db2.gz	VGOSCKJAPOBYOL-HNNXBMFYSA-N	0	3	319.474	2.625	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1ccc(CN2CCCC2)cc1	ZINC000338608102	427410233	/nfs/dbraw/zinc/41/02/33/427410233.db2.gz	WCZBCCULOGXTMY-UHFFFAOYSA-N	0	3	302.418	2.557	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000331455043	427415953	/nfs/dbraw/zinc/41/59/53/427415953.db2.gz	AFZXSHKSOJSFJT-CJNGLKHVSA-N	0	3	307.401	2.871	20	30		DFEDHN
CCN1CCC(NC(=O)NC(C)(C)c2ncc(C)s2)CC1	ZINC000331162950	427359214	/nfs/dbraw/zinc/35/92/14/427359214.db2.gz	AGHPSUMRNNRSDS-UHFFFAOYSA-N	0	3	310.467	2.675	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)OCC	ZINC000270645923	427363220	/nfs/dbraw/zinc/36/32/20/427363220.db2.gz	LQFVJZJOMWLCJK-ZIFCJYIRSA-N	0	3	316.445	2.919	20	30		DFEDHN
C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cc(C#N)n(C)c1	ZINC000191515831	427366980	/nfs/dbraw/zinc/36/69/80/427366980.db2.gz	CVBWHJKSZMJEAM-PXAZEXFGSA-N	0	3	301.365	2.638	20	30		DFEDHN
C#Cc1ccc(CNC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1	ZINC000297841139	427466573	/nfs/dbraw/zinc/46/65/73/427466573.db2.gz	OQHNBMNZTGZULZ-IBGZPJMESA-N	0	3	321.424	2.770	20	30		DFEDHN
Cc1c(Cl)cnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N	ZINC000286255758	427470199	/nfs/dbraw/zinc/47/01/99/427470199.db2.gz	GGXUFOPSNGBURE-YPMHNXCESA-N	0	3	304.825	2.978	20	30		DFEDHN
CCn1nccc1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000278967063	427516748	/nfs/dbraw/zinc/51/67/48/427516748.db2.gz	XLSWXCHCZNCHJB-IBGZPJMESA-N	0	3	324.428	2.688	20	30		DFEDHN
Cc1nsc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1C#N	ZINC000286400983	427517262	/nfs/dbraw/zinc/51/72/62/427517262.db2.gz	ZMOJIXIYUQJDMY-GJZGRUSLSA-N	0	3	320.462	2.503	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](c1ccc(OC)cc1)C1CC1	ZINC000298103791	427523966	/nfs/dbraw/zinc/52/39/66/427523966.db2.gz	QCUWCABWCBTZEJ-IBGZPJMESA-N	0	3	314.429	2.937	20	30		DFEDHN
N#Cc1ccc(F)c(COC(=O)C2CCN(C3CC3)CC2)c1	ZINC000278995055	427525094	/nfs/dbraw/zinc/52/50/94/427525094.db2.gz	LKYMQWQCUDMDAI-UHFFFAOYSA-N	0	3	302.349	2.615	20	30		DFEDHN
COc1cc(CN2CCC[C@@](CO)(C(C)C)C2)ccc1C#N	ZINC000294026789	427526496	/nfs/dbraw/zinc/52/64/96/427526496.db2.gz	NWRJLHDLRZKIQN-GOSISDBHSA-N	0	3	302.418	2.797	20	30		DFEDHN
C[C@]12CCN(CCC(=O)Nc3ccc(C#N)cc3)C[C@H]1C2(F)F	ZINC000298205365	427533501	/nfs/dbraw/zinc/53/35/01/427533501.db2.gz	CVEPNJMYLCBQBX-ZBFHGGJFSA-N	0	3	319.355	2.864	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000263677436	427540192	/nfs/dbraw/zinc/54/01/92/427540192.db2.gz	HJVPBQYSMLUZPV-CYBMUJFWSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=CCOCCN(C)CCOc1ccc(Br)cc1	ZINC000338901155	427547611	/nfs/dbraw/zinc/54/76/11/427547611.db2.gz	HBQTYLGFOZIWNC-UHFFFAOYSA-N	0	3	314.223	2.962	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1cccc(N2CCOCC2)c1	ZINC000271466201	427550228	/nfs/dbraw/zinc/55/02/28/427550228.db2.gz	HXMXARZVGCHCFR-MRXNPFEDSA-N	0	3	304.434	2.767	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCCN(C(=O)CC3CCCC3)CC2)C1	ZINC000338905297	427550929	/nfs/dbraw/zinc/55/09/29/427550929.db2.gz	QGGSSLOHGYBGLQ-IRXDYDNUSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCC[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)C1CC1	ZINC000272069572	427621715	/nfs/dbraw/zinc/62/17/15/427621715.db2.gz	JPUHCEPKQUHZKR-TZMCWYRMSA-N	0	3	317.355	2.504	20	30		DFEDHN
COc1cc2c(cc1OC)CCN([C@H]1CC[C@@H](C#N)C1)CC2	ZINC000338927095	427563575	/nfs/dbraw/zinc/56/35/75/427563575.db2.gz	WIOMYRBTBKGBJR-CJNGLKHVSA-N	0	3	300.402	2.797	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1F	ZINC000298324669	427572051	/nfs/dbraw/zinc/57/20/51/427572051.db2.gz	MZQWYGULNBXMIF-INIZCTEOSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@@H](C)C1)C(C)C	ZINC000271824602	427587522	/nfs/dbraw/zinc/58/75/22/427587522.db2.gz	DNRUCNIQDFSVOO-GVDBMIGSSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](OCCOC)C2)cc1	ZINC000338955573	427588688	/nfs/dbraw/zinc/58/86/88/427588688.db2.gz	GEHUJPLJSIHUJY-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
CN(C)Cc1ccnc(NCc2c(F)cc(C#N)cc2F)c1	ZINC000192746724	427603583	/nfs/dbraw/zinc/60/35/83/427603583.db2.gz	AFXXSANSAYFJIL-UHFFFAOYSA-N	0	3	302.328	2.905	20	30		DFEDHN
CC[C@@H]1CCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000298437330	427610046	/nfs/dbraw/zinc/61/00/46/427610046.db2.gz	GUKKYLPRYHHWKU-BNOWGMLFSA-N	0	3	303.431	2.893	20	30		DFEDHN
C#CC(C)(C)N(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000279239480	427610284	/nfs/dbraw/zinc/61/02/84/427610284.db2.gz	JYKXSUIUWZLENO-UHFFFAOYSA-N	0	3	303.362	2.575	20	30		DFEDHN
C=CCCC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000264018710	427634556	/nfs/dbraw/zinc/63/45/56/427634556.db2.gz	XIBOBUWRMQGOQE-KRWDZBQOSA-N	0	3	302.418	2.915	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1C#N	ZINC000287577951	427644650	/nfs/dbraw/zinc/64/46/50/427644650.db2.gz	CBUFQSBGKWTGJL-YGRLFVJLSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1cccc(C#N)c1	ZINC000193010547	427648753	/nfs/dbraw/zinc/64/87/53/427648753.db2.gz	RLGAEYCDVDZWJW-RHSMWYFYSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NCc3cccs3)C2=O)cc1	ZINC000272187077	427664954	/nfs/dbraw/zinc/66/49/54/427664954.db2.gz	JLSYMTWWUXBVCG-INIZCTEOSA-N	0	3	311.410	2.905	20	30		DFEDHN
C=CCOCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000339076837	427665144	/nfs/dbraw/zinc/66/51/44/427665144.db2.gz	XXWWBNKWGAKMAR-INIZCTEOSA-N	0	3	312.417	2.854	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cc(C#N)cs3)C[C@H]1CCCC2	ZINC000342829104	272060896	/nfs/dbraw/zinc/06/08/96/272060896.db2.gz	ZTZZNGOJOSNXTG-CJNGLKHVSA-N	0	3	304.415	2.785	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)CSCc1ccc(C#N)cc1	ZINC000343063532	272080964	/nfs/dbraw/zinc/08/09/64/272080964.db2.gz	HUORHMUQOVPTJA-UHFFFAOYSA-N	0	3	319.474	2.592	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(O)(Cc3ccc(F)cc3)CC2)C1	ZINC000339098863	427675130	/nfs/dbraw/zinc/67/51/30/427675130.db2.gz	LIXDDZLFXBLCJF-RDJZCZTQSA-N	0	3	302.393	2.887	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C	ZINC000343639203	272190985	/nfs/dbraw/zinc/19/09/85/272190985.db2.gz	XCJBPEHECRAFSV-OAHLLOKOSA-N	0	3	308.447	2.746	20	30		DFEDHN
N#Cc1cccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1	ZINC000344352746	272318875	/nfs/dbraw/zinc/31/88/75/272318875.db2.gz	YUIMHCIBANJGBL-IAGOWNOFSA-N	0	3	316.351	2.885	20	30		DFEDHN
Cc1nn(C)c(C)c1C[C@H](C)NCc1ccc(C#N)cc1F	ZINC000344710777	272358762	/nfs/dbraw/zinc/35/87/62/272358762.db2.gz	GXVBTFHPXARBLI-NSHDSACASA-N	0	3	300.381	2.769	20	30		DFEDHN
CCOC(=O)c1csc(CCN[C@H]2CCC[C@@H](C#N)C2)n1	ZINC000193338801	427687303	/nfs/dbraw/zinc/68/73/03/427687303.db2.gz	WLCNDMKKGWIUOA-NEPJUHHUSA-N	0	3	307.419	2.534	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@H](C)c3ccc(C#N)cc3)cc12	ZINC000298789249	427705363	/nfs/dbraw/zinc/70/53/63/427705363.db2.gz	WWLMLDDCTYJBJT-GFCCVEGCSA-N	0	3	305.385	2.999	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C2CCCC2)cc1	ZINC000298839838	427715093	/nfs/dbraw/zinc/71/50/93/427715093.db2.gz	GXMCHQIKRCVQFE-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C#N	ZINC000336860887	427764593	/nfs/dbraw/zinc/76/45/93/427764593.db2.gz	VVZPGFPXFGDEOW-GVDBMIGSSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]2Cc2ccccc2)cc1	ZINC000336878992	427770887	/nfs/dbraw/zinc/77/08/87/427770887.db2.gz	KLGHKXXZNAQUQC-RTBURBONSA-N	0	3	322.408	2.615	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CC[C@H]2Cc2ccccc2)cc1	ZINC000336878990	427771045	/nfs/dbraw/zinc/77/10/45/427771045.db2.gz	KLGHKXXZNAQUQC-OALUTQOASA-N	0	3	322.408	2.615	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C#N)n1	ZINC000301267536	427785596	/nfs/dbraw/zinc/78/55/96/427785596.db2.gz	INOWVHQPMACYED-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C#N)n1	ZINC000301267540	427786110	/nfs/dbraw/zinc/78/61/10/427786110.db2.gz	INOWVHQPMACYED-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
CCCCOCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280016238	427727017	/nfs/dbraw/zinc/72/70/17/427727017.db2.gz	QNADKFUOUIPUTB-KRWDZBQOSA-N	0	3	313.401	2.564	20	30		DFEDHN
CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)[C@H]2C1	ZINC000337030288	427789869	/nfs/dbraw/zinc/78/98/69/427789869.db2.gz	XXYFNVOFKPFSRA-MFKMUULPSA-N	0	3	310.323	2.502	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NCCN(C)Cc1ccccc1)OCC	ZINC000339209466	427733091	/nfs/dbraw/zinc/73/30/91/427733091.db2.gz	CLDJECKKAILDJT-KRWDZBQOSA-N	0	3	304.434	2.606	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194247766	427736109	/nfs/dbraw/zinc/73/61/09/427736109.db2.gz	ZKFJHPRLWVFBDJ-SFHVURJKSA-N	0	3	313.445	2.611	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](c2ccco2)C1	ZINC000339225961	427737650	/nfs/dbraw/zinc/73/76/50/427737650.db2.gz	RDXUYRBKURHHJC-FUHWJXTLSA-N	0	3	324.380	2.952	20	30		DFEDHN
CCN(C[C@H](O)COCC(C)C)[C@H](C)c1ccc(C#N)cc1	ZINC000299075539	427746815	/nfs/dbraw/zinc/74/68/15/427746815.db2.gz	DHQSUZSISQQYDS-QAPCUYQASA-N	0	3	304.434	2.975	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H](C)N1C	ZINC000339621981	427802554	/nfs/dbraw/zinc/80/25/54/427802554.db2.gz	WPSDVXZRYMYDTP-TXEJJXNPSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(Cc3ccc(F)cc3)CC2)C1=O	ZINC000337131194	427803221	/nfs/dbraw/zinc/80/32/21/427803221.db2.gz	JOPOCCASWAAAGT-GOSISDBHSA-N	0	3	316.420	2.867	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC=C(C)CC2)c(OC)c1	ZINC000339625674	427803840	/nfs/dbraw/zinc/80/38/40/427803840.db2.gz	VZDRQYDFZYMRFA-QGZVFWFLSA-N	0	3	317.429	2.815	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2cc(C#N)nc3ccccc32)CC1	ZINC000301554545	427805961	/nfs/dbraw/zinc/80/59/61/427805961.db2.gz	WIOANSRWCQJAJZ-OAHLLOKOSA-N	0	3	323.444	2.544	20	30		DFEDHN
N#Cc1ccnc(N[C@@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-]	ZINC000301648906	427812589	/nfs/dbraw/zinc/81/25/89/427812589.db2.gz	IVNFXFQENSSGEF-CQSZACIVSA-N	0	3	315.377	2.538	20	30		DFEDHN
CCc1nnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c(C#N)c1CC	ZINC000301665718	427814071	/nfs/dbraw/zinc/81/40/71/427814071.db2.gz	ZYVRCBOQHLIUKB-MLGOLLRUSA-N	0	3	301.438	2.614	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](Cc2ccccc2)C1	ZINC000337231278	427819519	/nfs/dbraw/zinc/81/95/19/427819519.db2.gz	XARCTGBCIVXZKS-FUHWJXTLSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3ccc(C#N)nn3)c(C)c2)CC1	ZINC000301829556	427827987	/nfs/dbraw/zinc/82/79/87/427827987.db2.gz	GXQWOUZXUDQXHK-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
CCOc1c(OC)cc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC	ZINC000349788007	427865216	/nfs/dbraw/zinc/86/52/16/427865216.db2.gz	KGMPSUUWQFIOES-OCCSQVGLSA-N	0	3	304.390	2.884	20	30		DFEDHN
COCCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1	ZINC000337373740	427872582	/nfs/dbraw/zinc/87/25/82/427872582.db2.gz	ACYFPGIGLDWXQN-SFHVURJKSA-N	0	3	310.401	2.568	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000339932351	427876166	/nfs/dbraw/zinc/87/61/66/427876166.db2.gz	UXHRUAUKRHPZDX-UTUOFQBUSA-N	0	3	319.371	2.656	20	30		DFEDHN
CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C#N	ZINC000339939300	427879669	/nfs/dbraw/zinc/87/96/69/427879669.db2.gz	VYJSBEADVGSATF-NSHDSACASA-N	0	3	307.781	2.677	20	30		DFEDHN
N#Cc1cccc(C#N)c1Nc1cnn(CCN2CCCCC2)c1	ZINC000302880798	427887203	/nfs/dbraw/zinc/88/72/03/427887203.db2.gz	IOYMVGPYIPWYNB-UHFFFAOYSA-N	0	3	320.400	2.856	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)c1cc(C#N)oc1C)c1ccco1	ZINC000359565483	427911784	/nfs/dbraw/zinc/91/17/84/427911784.db2.gz	UXBXUYMFLZPSPU-NHYWBVRUSA-N	0	3	315.373	2.912	20	30		DFEDHN
N#Cc1ccc(CN2CCC(NC3(C(F)F)CC3)CC2)cc1	ZINC000337556846	427958064	/nfs/dbraw/zinc/95/80/64/427958064.db2.gz	RXYKODZQBXSTHS-UHFFFAOYSA-N	0	3	305.372	2.910	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000350728973	427967567	/nfs/dbraw/zinc/96/75/67/427967567.db2.gz	HFRPEZFJCVXZMW-QLFBSQMISA-N	0	3	305.470	2.897	20	30		DFEDHN
CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CN2CCC1CC2	ZINC000355999315	427976623	/nfs/dbraw/zinc/97/66/23/427976623.db2.gz	LPEJZDARZLIMBB-ZWKOTPCHSA-N	0	3	311.429	2.627	20	30		DFEDHN
CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCN(C2CC2)C1	ZINC000356005127	427978278	/nfs/dbraw/zinc/97/82/78/427978278.db2.gz	SDFAFKKXHVRDHK-AEFFLSMTSA-N	0	3	311.429	2.769	20	30		DFEDHN
CCCCN(C)CCNC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356013457	427983038	/nfs/dbraw/zinc/98/30/38/427983038.db2.gz	PRROJEQLXHNYBL-QGZVFWFLSA-N	0	3	301.434	2.922	20	30		DFEDHN
C=CCCCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000369502489	427983724	/nfs/dbraw/zinc/98/37/24/427983724.db2.gz	GLZLJOQYCMMQJA-IRXDYDNUSA-N	0	3	316.449	2.730	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@@H]1c1ccccc1	ZINC000355896351	427939314	/nfs/dbraw/zinc/93/93/14/427939314.db2.gz	YDKPXKYHQUGHJH-IEBWSBKVSA-N	0	3	323.440	2.627	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)CC(F)(F)F)CC1	ZINC000413227851	427996361	/nfs/dbraw/zinc/99/63/61/427996361.db2.gz	BFPROIMRCDDMFY-LLVKDONJSA-N	0	3	307.360	2.525	20	30		DFEDHN
C[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)N1[C@H](C)CC[C@@H]1C	ZINC000413349374	428028532	/nfs/dbraw/zinc/02/85/32/428028532.db2.gz	GMPHHUSZWKCGHU-IATRGZMQSA-N	0	3	303.381	2.768	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC2(CC#N)CC2)[C@H]1Oc1ccccc1	ZINC000369704313	428038832	/nfs/dbraw/zinc/03/88/32/428038832.db2.gz	PRGFSOZHMNVAPZ-BRWVUGGUSA-N	0	3	300.402	2.895	20	30		DFEDHN
COC[C@@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359854653	428046576	/nfs/dbraw/zinc/04/65/76/428046576.db2.gz	YVPSACXQBRBSBK-KUHUBIRLSA-N	0	3	310.397	2.883	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1	ZINC000369742915	428051170	/nfs/dbraw/zinc/05/11/70/428051170.db2.gz	WAHGJYMSUXEWOA-IRXDYDNUSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC(C)(C)COC(C)C)CC1	ZINC000413248089	428000113	/nfs/dbraw/zinc/00/01/13/428000113.db2.gz	WKEKHNDSXVQZJN-UHFFFAOYSA-N	0	3	311.470	2.530	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)N(C)C1CC1	ZINC000413253374	428003342	/nfs/dbraw/zinc/00/33/42/428003342.db2.gz	URWGGPHPFZZBBV-DOTOQJQBSA-N	0	3	315.461	2.956	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C2(C#N)CCCC2)[C@@H]1c1cccs1	ZINC000369571689	428003490	/nfs/dbraw/zinc/00/34/90/428003490.db2.gz	YCLXRSKCANWQLY-DZGCQCFKSA-N	0	3	317.458	2.941	20	30		DFEDHN
Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1C	ZINC000359918426	428076521	/nfs/dbraw/zinc/07/65/21/428076521.db2.gz	QXXUGRRZLSFKSZ-CQSZACIVSA-N	0	3	310.313	2.853	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356223821	428076923	/nfs/dbraw/zinc/07/69/23/428076923.db2.gz	UFMZRTVAYPKGNF-KBAYOESNSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C	ZINC000341524732	428089875	/nfs/dbraw/zinc/08/98/75/428089875.db2.gz	BHZBIPXXMAWOPN-GASCZTMLSA-N	0	3	317.433	2.639	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3cncc(F)c3)CC2)cc1	ZINC000377239138	428090608	/nfs/dbraw/zinc/09/06/08/428090608.db2.gz	MAUVTWXSPYVXTE-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000360066790	428140390	/nfs/dbraw/zinc/14/03/90/428140390.db2.gz	SEWCOJGMHSZHHI-ZFWWWQNUSA-N	0	3	320.462	2.514	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@H](CC#N)c1ccccc1	ZINC000356366590	428144175	/nfs/dbraw/zinc/14/41/75/428144175.db2.gz	WJJNKEYFGYMJJI-HFTRVMKXSA-N	0	3	311.429	2.673	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)C(C)C	ZINC000360083779	428151104	/nfs/dbraw/zinc/15/11/04/428151104.db2.gz	QWQUGSSEWKQFJP-IXDOHACOSA-N	0	3	318.465	2.676	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCCN2Cc2ccc(C#N)cc2)n1	ZINC000360151767	428182594	/nfs/dbraw/zinc/18/25/94/428182594.db2.gz	XNWPVKHKSFFLIY-SFHVURJKSA-N	0	3	309.417	2.821	20	30		DFEDHN
Cc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)cc1C#N	ZINC000370219299	428161142	/nfs/dbraw/zinc/16/11/42/428161142.db2.gz	AHFFSHURAZYBCM-SFHVURJKSA-N	0	3	311.429	2.957	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(F)c1C#N	ZINC000377741160	428214264	/nfs/dbraw/zinc/21/42/64/428214264.db2.gz	LYPZOBREASSRMC-JKIFEVAISA-N	0	3	317.408	2.999	20	30		DFEDHN
Cn1cc([C@@H]2[C@@H](CNc3ccc(C#N)cc3)CCCN2C)cn1	ZINC000377710090	428205090	/nfs/dbraw/zinc/20/50/90/428205090.db2.gz	WMXUEBWIMFWKOZ-QAPCUYQASA-N	0	3	309.417	2.787	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000341980792	428267698	/nfs/dbraw/zinc/26/76/98/428267698.db2.gz	BKCCZLNLZYBGSA-FQEVSTJZSA-N	0	3	305.425	2.917	20	30		DFEDHN
CS[C@H](CO)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352829434	428268304	/nfs/dbraw/zinc/26/83/04/428268304.db2.gz	BEICTJWMXWCFFE-TVQRCGJNSA-N	0	3	318.364	2.779	20	30		DFEDHN
CN(C)[C@@H](CNCc1nc(C#N)cs1)c1ccc(F)cc1	ZINC000352839933	428274349	/nfs/dbraw/zinc/27/43/49/428274349.db2.gz	MIVIYWHBOWDHEV-AWEZNQCLSA-N	0	3	304.394	2.546	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nc(C)nc(C)c1F)C(C)C	ZINC000356767790	428298514	/nfs/dbraw/zinc/29/85/14/428298514.db2.gz	GIRYPGLSHZOFMX-OAHLLOKOSA-N	0	3	306.429	3.343	20	30		DFEDHN
Cn1ccc(CCNCc2ccc(C#N)cc2C(F)(F)F)n1	ZINC000352861957	428283582	/nfs/dbraw/zinc/28/35/82/428283582.db2.gz	LDGGHZDKRXACCT-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000370607120	428251736	/nfs/dbraw/zinc/25/17/36/428251736.db2.gz	UFOSWDJCBIZUGQ-MAUKXSAKSA-N	0	3	324.465	2.789	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCc3c[nH]nc3C2)c(C(F)(F)F)c1	ZINC000352812410	428259777	/nfs/dbraw/zinc/25/97/77/428259777.db2.gz	YWHAORFFGIDIJN-CYBMUJFWSA-N	0	3	320.318	2.947	20	30		DFEDHN
COc1cc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)ccc1C#N	ZINC000414499668	428322241	/nfs/dbraw/zinc/32/22/41/428322241.db2.gz	ZHTZZEDYAMGYBW-MJGOQNOKSA-N	0	3	308.381	2.969	20	30		DFEDHN
Cn1cc(CN[C@@H]2C[C@H]2C(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000342219707	428355758	/nfs/dbraw/zinc/35/57/58/428355758.db2.gz	JLIUZSQUZKIMKH-ZIAGYGMSSA-N	0	3	302.328	2.702	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(C#N)c(F)c3)C[C@H]1CCCC2	ZINC000342175344	428335546	/nfs/dbraw/zinc/33/55/46/428335546.db2.gz	PSEUDFPENORNDN-QAPCUYQASA-N	0	3	316.376	2.863	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H]2CCN(C3CC3)C2)ccc1OC	ZINC000356863365	428339577	/nfs/dbraw/zinc/33/95/77/428339577.db2.gz	JRVXJQCUQBPDBY-MRXNPFEDSA-N	0	3	316.445	2.976	20	30		DFEDHN
C[C@@H](CNc1nccc(C#N)c1Cl)N(C)Cc1ccccc1	ZINC000342202430	428346515	/nfs/dbraw/zinc/34/65/15/428346515.db2.gz	AUHWDHNUSKNHOR-ZDUSSCGKSA-N	0	3	314.820	3.539	20	30		DFEDHN
COc1cccc(C(=O)N2CCCN(CCCCC#N)CC2)c1	ZINC000371517401	428394687	/nfs/dbraw/zinc/39/46/87/428394687.db2.gz	KBTFDBIIQKBVEG-UHFFFAOYSA-N	0	3	315.417	2.537	20	30		DFEDHN
C[C@@H]1CCC[C@H](CO)N1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000371707769	428401422	/nfs/dbraw/zinc/40/14/22/428401422.db2.gz	PUTOVDFMPIUSAF-RDTXWAMCSA-N	0	3	324.428	2.694	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000371713713	428401595	/nfs/dbraw/zinc/40/15/95/428401595.db2.gz	DUHLJFLNAPONSH-LSDHHAIUSA-N	0	3	307.825	2.656	20	30		DFEDHN
C#CCCCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000371957320	428408451	/nfs/dbraw/zinc/40/84/51/428408451.db2.gz	RBEJFIMJQIHIAQ-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1	ZINC000371946138	428408982	/nfs/dbraw/zinc/40/89/82/428408982.db2.gz	FOHZDSKYABLCCA-OAGGEKHMSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Br)cc1Cl	ZINC000347030994	428412996	/nfs/dbraw/zinc/41/29/96/428412996.db2.gz	DCEQIXYBWHLFMI-ZETCQYMHSA-N	0	3	301.571	2.878	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1cncc(Br)c1)C1CC1	ZINC000356913605	428357747	/nfs/dbraw/zinc/35/77/47/428357747.db2.gz	HRLMXTVLEWDKEP-PRHODGIISA-N	0	3	308.179	2.571	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000356910988	428359138	/nfs/dbraw/zinc/35/91/38/428359138.db2.gz	YZDFQQFHXSXXSG-GXSJLCMTSA-N	0	3	312.200	2.848	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000342285301	428382683	/nfs/dbraw/zinc/38/26/83/428382683.db2.gz	UJXFIGGHMQQJIA-GOEBONIOSA-N	0	3	323.396	2.934	20	30		DFEDHN
CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(C)n1	ZINC000353096886	428383211	/nfs/dbraw/zinc/38/32/11/428383211.db2.gz	KRBDZPCJHWKJAL-LBPRGKRZSA-N	0	3	321.384	2.920	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H](CCOC)C1	ZINC000342702355	428439559	/nfs/dbraw/zinc/43/95/59/428439559.db2.gz	ONTUEPUDWZAIFG-IRXDYDNUSA-N	0	3	310.482	2.938	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cn(C(C)C)cn1)C(C)C	ZINC000342724506	428440686	/nfs/dbraw/zinc/44/06/86/428440686.db2.gz	CWJHSEZWFXBPQR-QGZVFWFLSA-N	0	3	318.465	2.892	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000353233144	428441064	/nfs/dbraw/zinc/44/10/64/428441064.db2.gz	VDWOLNHHLVGPGE-UHFFFAOYSA-N	0	3	319.424	2.775	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000372405252	428441589	/nfs/dbraw/zinc/44/15/89/428441589.db2.gz	OFVBEBTUPQCXAG-PVAVHDDUSA-N	0	3	301.434	2.793	20	30		DFEDHN
Cc1cc(CN2CCC(N(C)Cc3ccc(C#N)o3)CC2)on1	ZINC000372409877	428442019	/nfs/dbraw/zinc/44/20/19/428442019.db2.gz	LYZDIXJVPCYZQY-UHFFFAOYSA-N	0	3	314.389	2.544	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1	ZINC000347092545	428442679	/nfs/dbraw/zinc/44/26/79/428442679.db2.gz	ACMNMPIHTAQMAU-CZUORRHYSA-N	0	3	319.836	2.970	20	30		DFEDHN
CNC(=O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1	ZINC000353259509	428455721	/nfs/dbraw/zinc/45/57/21/428455721.db2.gz	ANYZOCDQGKMURG-GOSISDBHSA-N	0	3	305.381	2.695	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1	ZINC000347129646	428459274	/nfs/dbraw/zinc/45/92/74/428459274.db2.gz	VXTATGPKUHCSMI-VIFPVBQESA-N	0	3	324.302	2.685	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N(CCC)CCN1CCCCC1	ZINC000342803125	428460554	/nfs/dbraw/zinc/46/05/54/428460554.db2.gz	UYSLEQATGNTWJE-GOSISDBHSA-N	0	3	310.482	2.940	20	30		DFEDHN
COc1ccc(CNC(=O)C(C)C#N)cc1OC1CCCC1	ZINC000347144591	428466782	/nfs/dbraw/zinc/46/67/82/428466782.db2.gz	XUUHMAJCGSLQDO-GFCCVEGCSA-N	0	3	302.374	2.792	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N(C)Cc3ccc(C#N)cc3)C2)nn1	ZINC000372584560	428469477	/nfs/dbraw/zinc/46/94/77/428469477.db2.gz	ORKLZWJBHCQACN-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN(C)C(C)C	ZINC000342460362	428429569	/nfs/dbraw/zinc/42/95/69/428429569.db2.gz	LMMWXVZVVXMEOG-UHFFFAOYSA-N	0	3	306.454	2.709	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1	ZINC000347064980	428431228	/nfs/dbraw/zinc/43/12/28/428431228.db2.gz	IPHBSIKUYAVFPM-GFCCVEGCSA-N	0	3	314.364	2.766	20	30		DFEDHN
CN(CC[C@@H]1CCCO1)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000342587670	428432536	/nfs/dbraw/zinc/43/25/36/428432536.db2.gz	KVBJTTZCSUEMAC-SFHVURJKSA-N	0	3	324.428	2.960	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000342933197	428488826	/nfs/dbraw/zinc/48/88/26/428488826.db2.gz	ZVGOEGYRJCMMBB-HYVNUMGLSA-N	0	3	300.402	2.548	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1	ZINC000372859374	428503706	/nfs/dbraw/zinc/50/37/06/428503706.db2.gz	RBNZLYMMBZOZHW-QZTJIDSGSA-N	0	3	323.525	2.831	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCC(=O)NCc1ccccc1)CC2	ZINC000353381163	428512280	/nfs/dbraw/zinc/51/22/80/428512280.db2.gz	DMCNRTRQIHWIFW-IBGZPJMESA-N	0	3	319.408	2.842	20	30		DFEDHN
CCCN(CCc1cccs1)CC(=O)NC1(C#N)CCC1	ZINC000347169598	428477186	/nfs/dbraw/zinc/47/71/86/428477186.db2.gz	OTYHUOMUKORKFF-UHFFFAOYSA-N	0	3	305.447	2.565	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCC(C)(C)CCC#N	ZINC000353536434	428583249	/nfs/dbraw/zinc/58/32/49/428583249.db2.gz	MWMTWYQTBAXEMQ-OAHLLOKOSA-N	0	3	308.470	2.880	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000361648992	428584363	/nfs/dbraw/zinc/58/43/63/428584363.db2.gz	WDUDNVZIDNGNDH-SFHVURJKSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1	ZINC000358125580	428584786	/nfs/dbraw/zinc/58/47/86/428584786.db2.gz	OMHYEGDLSUSJJC-AWEZNQCLSA-N	0	3	300.402	2.632	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000353543622	428585128	/nfs/dbraw/zinc/58/51/28/428585128.db2.gz	BDDMBFYKQOAQPH-XHDPSFHLSA-N	0	3	304.369	2.548	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373478446	428587940	/nfs/dbraw/zinc/58/79/40/428587940.db2.gz	GIQAWRCWNVLGII-UHFFFAOYSA-N	0	3	323.400	2.552	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccccc2N(C)C)CC1	ZINC000358366259	428595183	/nfs/dbraw/zinc/59/51/83/428595183.db2.gz	KGELCAUGARMGCT-UHFFFAOYSA-N	0	3	316.449	2.915	20	30		DFEDHN
Cn1nccc1[C@H]1OCC[C@H]1CN(CCC#N)CC(C)(C)C	ZINC000343232460	428538022	/nfs/dbraw/zinc/53/80/22/428538022.db2.gz	MXWUZBMHVJCUAI-HOCLYGCPSA-N	0	3	304.438	2.759	20	30		DFEDHN
Cc1nn(C)cc1[C@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000343273040	428542344	/nfs/dbraw/zinc/54/23/44/428542344.db2.gz	WQNRTDFIDSBUSF-BBRMVZONSA-N	0	3	310.401	2.678	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000361220735	428551409	/nfs/dbraw/zinc/55/14/09/428551409.db2.gz	NNOKIWKZPWCNBY-KRWDZBQOSA-N	0	3	301.434	2.782	20	30		DFEDHN
CC(C)CN1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000373362302	428555530	/nfs/dbraw/zinc/55/55/30/428555530.db2.gz	NNAWCKDIVGQTBY-UHFFFAOYSA-N	0	3	302.378	2.635	20	30		DFEDHN
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@@H]2[C@H](C1)C2(C)C	ZINC000357727552	428559726	/nfs/dbraw/zinc/55/97/26/428559726.db2.gz	IAKSPJNQLQKTAX-ZRUZRRJWSA-N	0	3	317.477	2.894	20	30		DFEDHN
C=CCC1(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CCC1	ZINC000357780875	428562992	/nfs/dbraw/zinc/56/29/92/428562992.db2.gz	RDHUISCUWRHVKU-QGZVFWFLSA-N	0	3	320.477	2.836	20	30		DFEDHN
CC(C#N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000357837669	428567307	/nfs/dbraw/zinc/56/73/07/428567307.db2.gz	SZWFRDGLCAUAKJ-LBPRGKRZSA-N	0	3	305.809	2.580	20	30		DFEDHN
CCN1CCC(N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000347397574	428568348	/nfs/dbraw/zinc/56/83/48/428568348.db2.gz	OHYRKFCJGIHQIL-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
CCc1ccccc1CCN1CCC(n2cnc(C#N)n2)CC1	ZINC000373407196	428568792	/nfs/dbraw/zinc/56/87/92/428568792.db2.gz	SZDVIKKVDMUWHM-UHFFFAOYSA-N	0	3	309.417	2.592	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000361492315	428570526	/nfs/dbraw/zinc/57/05/26/428570526.db2.gz	GQESATOJBGZOMN-SJLPKXTDSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCCO[C@H](C)c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000357944618	428571919	/nfs/dbraw/zinc/57/19/19/428571919.db2.gz	HZRNOXBBOIMXMY-UPJWGTAASA-N	0	3	304.394	2.579	20	30		DFEDHN
CC1(C)CN(Cc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1	ZINC000361506869	428574444	/nfs/dbraw/zinc/57/44/44/428574444.db2.gz	BOGRYDYTUPHCPB-SFHVURJKSA-N	0	3	300.402	2.523	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC[C@@H](C)C1	ZINC000353519730	428574599	/nfs/dbraw/zinc/57/45/99/428574599.db2.gz	GJJUCGAKXFZHPB-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
COc1ccc(CN2CCN(C)C[C@@H]2C)cc1OCCCC#N	ZINC000353585300	428606375	/nfs/dbraw/zinc/60/63/75/428606375.db2.gz	QZEQIWLSMNJTHA-HNNXBMFYSA-N	0	3	317.433	2.514	20	30		DFEDHN
C=CC1CCN(CCN2c3ccccc3O[C@@H](C)C2=O)CC1	ZINC000361993890	428608540	/nfs/dbraw/zinc/60/85/40/428608540.db2.gz	ZZFYNQMOTJEARJ-AWEZNQCLSA-N	0	3	300.402	2.699	20	30		DFEDHN
C=CCOCCCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000348038176	428634409	/nfs/dbraw/zinc/63/44/09/428634409.db2.gz	TWWZWPRNPVXOJF-UHFFFAOYSA-N	0	3	300.402	2.994	20	30		DFEDHN
CN(C[C@H]1CC=CCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000344064461	428621611	/nfs/dbraw/zinc/62/16/11/428621611.db2.gz	OHEQBRHSMBSWLP-FUHWJXTLSA-N	0	3	309.413	2.952	20	30		DFEDHN
CN1CCN(CCCSc2cccc(Cl)c2C#N)CC1	ZINC000344118937	428623950	/nfs/dbraw/zinc/62/39/50/428623950.db2.gz	HCVBOPNQMQCAGE-UHFFFAOYSA-N	0	3	309.866	2.941	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CNC	ZINC000415920966	428626756	/nfs/dbraw/zinc/62/67/56/428626756.db2.gz	LADGMUBUIOGUOO-HOCLYGCPSA-N	0	3	303.406	2.509	20	30		DFEDHN
CNCc1cccc(NC(=O)NCC2CCC(C#N)CC2)c1	ZINC000415938476	428632478	/nfs/dbraw/zinc/63/24/78/428632478.db2.gz	YXAOALBEVFPLDU-UHFFFAOYSA-N	0	3	300.406	2.857	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1	ZINC000347980835	428632924	/nfs/dbraw/zinc/63/29/24/428632924.db2.gz	AWGAQRCYXDXNPB-SNVBAGLBSA-N	0	3	300.280	2.702	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1)CNCCO2	ZINC000415972300	428638263	/nfs/dbraw/zinc/63/82/63/428638263.db2.gz	LDTBVZDQVOZOFG-UHFFFAOYSA-N	0	3	303.406	2.892	20	30		DFEDHN
C[C@@H](CC#N)N(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415962644	428638390	/nfs/dbraw/zinc/63/83/90/428638390.db2.gz	UFKRGOVOYNNDBL-VIFPVBQESA-N	0	3	314.311	2.930	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H](C)[C@@H]2CCCOC2)c(C#N)c1C	ZINC000348144942	428640803	/nfs/dbraw/zinc/64/08/03/428640803.db2.gz	RGUYUBSDTJPWNB-DGCLKSJQSA-N	0	3	321.446	2.580	20	30		DFEDHN
COc1cc(Br)ccc1[C@@H](C)NC(=O)C(C)C#N	ZINC000348143163	428641950	/nfs/dbraw/zinc/64/19/50/428641950.db2.gz	LAXGCPDYQKJPOS-RKDXNWHRSA-N	0	3	311.179	2.795	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1	ZINC000408384308	428651441	/nfs/dbraw/zinc/65/14/41/428651441.db2.gz	ZBEFDURYRWEKDR-WMLDXEAASA-N	0	3	318.465	2.775	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)CCC#N	ZINC000358731141	428646410	/nfs/dbraw/zinc/64/64/10/428646410.db2.gz	HBXBFYTUWNAZQQ-AWEZNQCLSA-N	0	3	308.470	2.688	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CCC(C#N)CC1	ZINC000374242431	428670468	/nfs/dbraw/zinc/67/04/68/428670468.db2.gz	WXQPKUAEVFDAON-BACDZXNISA-N	0	3	318.465	2.585	20	30		DFEDHN
C=CCn1c(SC[C@@H](C)N(C)C)nc2sccc2c1=O	ZINC000358865679	428711118	/nfs/dbraw/zinc/71/11/18/428711118.db2.gz	YREONSWVXBYABN-SNVBAGLBSA-N	0	3	309.460	2.686	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000416332667	428718615	/nfs/dbraw/zinc/71/86/15/428718615.db2.gz	IDBPHAXGLLRFCS-UHFFFAOYSA-N	0	3	318.417	2.768	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NC[C@H]2CCCN2CC)cc1	ZINC000353726043	428678829	/nfs/dbraw/zinc/67/88/29/428678829.db2.gz	RIHVROOEQPKZGV-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(F)c1C#N	ZINC000344628196	428683939	/nfs/dbraw/zinc/68/39/39/428683939.db2.gz	ZIUFOQUURUDDLL-OAHLLOKOSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000358808079	428686045	/nfs/dbraw/zinc/68/60/45/428686045.db2.gz	RFNWDGCZAPJQAR-INIZCTEOSA-N	0	3	315.465	2.795	20	30		DFEDHN
N#CCSCCCN1CCC[C@@](CO)(c2ccccc2)C1	ZINC000374555536	428695911	/nfs/dbraw/zinc/69/59/11/428695911.db2.gz	DVQGTTGBDDEXSZ-QGZVFWFLSA-N	0	3	304.459	2.659	20	30		DFEDHN
C[C@H](NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C#N)s1	ZINC000374805895	428756471	/nfs/dbraw/zinc/75/64/71/428756471.db2.gz	CSNLCMOVWXJQOR-XEZPLFJOSA-N	0	3	320.458	2.838	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(Br)cc1OC	ZINC000358983711	428759768	/nfs/dbraw/zinc/75/97/68/428759768.db2.gz	CLWWXGRRGZETGP-LLVKDONJSA-N	0	3	314.223	2.732	20	30		DFEDHN
COCCN(CCc1cncs1)Cc1ccc(C#N)cc1	ZINC000411211107	428760116	/nfs/dbraw/zinc/76/01/16/428760116.db2.gz	WKAMDBKENNHXCG-UHFFFAOYSA-N	0	3	301.415	2.706	20	30		DFEDHN
C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCCC#N	ZINC000374878545	428774602	/nfs/dbraw/zinc/77/46/02/428774602.db2.gz	IAUKLIUVEBJCLM-AEFFLSMTSA-N	0	3	301.434	2.511	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)CCC#N)C1	ZINC000411302821	428777430	/nfs/dbraw/zinc/77/74/30/428777430.db2.gz	ZXFOSOKKHFACKM-OLZOCXBDSA-N	0	3	319.371	2.801	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000359021138	428777872	/nfs/dbraw/zinc/77/78/72/428777872.db2.gz	TYESGEJWCXDYFE-ZMSDIMECSA-N	0	3	301.434	2.913	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1OCCCC#N	ZINC000348545029	428779034	/nfs/dbraw/zinc/77/90/34/428779034.db2.gz	CHVDHZQJEKRLJW-JKSUJKDBSA-N	0	3	318.417	2.723	20	30		DFEDHN
Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H](C)CCC#N)C2)n1	ZINC000411340823	428779775	/nfs/dbraw/zinc/77/97/75/428779775.db2.gz	OTEJWASPAMSSKX-LSDHHAIUSA-N	0	3	300.406	2.733	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000348553033	428787352	/nfs/dbraw/zinc/78/73/52/428787352.db2.gz	WOBRGVKGZDAVGM-AEFFLSMTSA-N	0	3	316.445	2.546	20	30		DFEDHN
CCCN(C)[C@@H](CNC(=O)[C@H](C)C#N)c1ccc(Cl)cc1	ZINC000358925952	428735114	/nfs/dbraw/zinc/73/51/14/428735114.db2.gz	FCPSJTFMNDSARB-DOMZBBRYSA-N	0	3	307.825	2.999	20	30		DFEDHN
N#CC1(CCN2CCOCC3(CCOCC3)C2)CCCCC1	ZINC000411514568	428808307	/nfs/dbraw/zinc/80/83/07/428808307.db2.gz	SGBIBOHBWHVJGN-UHFFFAOYSA-N	0	3	306.450	2.980	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cncn1Cc1ccccc1	ZINC000411638583	428832041	/nfs/dbraw/zinc/83/20/41/428832041.db2.gz	BZTHFYBORONGOY-UHFFFAOYSA-N	0	3	312.461	2.871	20	30		DFEDHN
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000411689218	428841933	/nfs/dbraw/zinc/84/19/33/428841933.db2.gz	CJAUARDAGNBCKG-IFXJQAMLSA-N	0	3	319.408	2.839	20	30		DFEDHN
C=CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCCO2)cc1	ZINC000349041603	428906509	/nfs/dbraw/zinc/90/65/09/428906509.db2.gz	VLLPTFAZFUBILH-IBGZPJMESA-N	0	3	318.461	2.794	20	30		DFEDHN
COC1([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)CCC1	ZINC000412020594	428908552	/nfs/dbraw/zinc/90/85/52/428908552.db2.gz	JHTDIAYTKOZDJT-NSHDSACASA-N	0	3	321.808	2.697	20	30		DFEDHN
Cc1cc([C@H]2CCCN(CCOc3ccccc3C#N)C2)n[nH]1	ZINC000363126803	428865174	/nfs/dbraw/zinc/86/51/74/428865174.db2.gz	PAFISIGTGGVCLX-INIZCTEOSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc([C@H]2CCCN(CCOc3ccccc3C#N)C2)[nH]n1	ZINC000363126803	428865193	/nfs/dbraw/zinc/86/51/93/428865193.db2.gz	PAFISIGTGGVCLX-INIZCTEOSA-N	0	3	310.401	2.848	20	30		DFEDHN
C#CCCN1CCC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1	ZINC000363163831	428874513	/nfs/dbraw/zinc/87/45/13/428874513.db2.gz	CPTPZKYKPCESOQ-ZFWWWQNUSA-N	0	3	300.402	2.621	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC2(CCC2)CC1	ZINC000411873097	428874874	/nfs/dbraw/zinc/87/48/74/428874874.db2.gz	XGYKFEIQTVYUEH-OAHLLOKOSA-N	0	3	308.491	2.937	20	30		DFEDHN
C=CCN(Cc1noc(C)n1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363185316	428877869	/nfs/dbraw/zinc/87/78/69/428877869.db2.gz	VOZMNFMVYRVELO-QGZVFWFLSA-N	0	3	312.417	2.641	20	30		DFEDHN
CO[C@H]1c2ccccc2C[C@H]1NCCOc1cccc(C#N)c1	ZINC000411885973	428878618	/nfs/dbraw/zinc/87/86/18/428878618.db2.gz	AONCCNMYVACREX-MOPGFXCFSA-N	0	3	308.381	2.839	20	30		DFEDHN
COC[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000411913210	428882625	/nfs/dbraw/zinc/88/26/25/428882625.db2.gz	RNIXDSJHPCUBOA-OALUTQOASA-N	0	3	322.408	2.807	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)[C@H](C)N(CCC)C1=O)C(C)C	ZINC000349038749	428904429	/nfs/dbraw/zinc/90/44/29/428904429.db2.gz	DBOVPLKVBFTYKQ-HOTGVXAUSA-N	0	3	321.465	2.748	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCCN1C	ZINC000420862557	428971181	/nfs/dbraw/zinc/97/11/81/428971181.db2.gz	QOZOYQYCRAGYKT-QZTJIDSGSA-N	0	3	315.461	2.909	20	30		DFEDHN
CC[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000419326546	428931393	/nfs/dbraw/zinc/93/13/93/428931393.db2.gz	YGNVTCJUZDPPGE-MFKMUULPSA-N	0	3	313.323	2.653	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCC1(C#N)CCC1)C(C)C	ZINC000419413223	428933423	/nfs/dbraw/zinc/93/34/23/428933423.db2.gz	DFKZSSKUZSOWPV-MRXNPFEDSA-N	0	3	318.465	2.678	20	30		DFEDHN
C[C@H](NC(=O)NCC1(C#N)CCC1)[C@@H](c1ccccc1)N(C)C	ZINC000419511841	428935871	/nfs/dbraw/zinc/93/58/71/428935871.db2.gz	WHMDJXKIWUEEIB-HOCLYGCPSA-N	0	3	314.433	2.671	20	30		DFEDHN
Cn1nccc1C1=CCN(CCCOc2ccc(C#N)cc2)CC1	ZINC000375666774	428937904	/nfs/dbraw/zinc/93/79/04/428937904.db2.gz	STCVKNVLIJTQDX-UHFFFAOYSA-N	0	3	322.412	2.850	20	30		DFEDHN
C#CCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000363580854	428947193	/nfs/dbraw/zinc/94/71/93/428947193.db2.gz	SFFAXFKSGUYUFM-GOEBONIOSA-N	0	3	319.836	2.655	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C#N)o1)N(C)C	ZINC000349259347	428952470	/nfs/dbraw/zinc/95/24/70/428952470.db2.gz	DVAPNEGLXALWGJ-GUYCJALGSA-N	0	3	311.385	2.881	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420605184	428957079	/nfs/dbraw/zinc/95/70/79/428957079.db2.gz	UKKRZLQTUJRTFG-MAUKXSAKSA-N	0	3	321.428	2.838	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCCC[C@H]1C	ZINC000420815092	428963397	/nfs/dbraw/zinc/96/33/97/428963397.db2.gz	ZUIYAOHFDXEMNQ-CHWSQXEVSA-N	0	3	320.462	2.682	20	30		DFEDHN
CCN(C(=O)NCCCC#N)[C@H]1CCN(Cc2ccccc2)C1	ZINC000355096540	429026928	/nfs/dbraw/zinc/02/69/28/429026928.db2.gz	IYLNHBBQRIQCFX-KRWDZBQOSA-N	0	3	314.433	2.596	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@H](C)CN(C)C)c1ccc(F)c(F)c1	ZINC000355105827	429030107	/nfs/dbraw/zinc/03/01/07/429030107.db2.gz	MNIOVMDZVRXMES-IAQYHMDHSA-N	0	3	311.376	2.831	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(CCN1CCCCCC1)C(C)C	ZINC000451970145	429030630	/nfs/dbraw/zinc/03/06/30/429030630.db2.gz	LGMVBDBFGSOPDX-UHFFFAOYSA-N	0	3	316.449	2.921	20	30		DFEDHN
CN(CCC#N)C(=O)CCN[C@H](CC(F)F)c1ccccc1	ZINC000420989282	428973556	/nfs/dbraw/zinc/97/35/56/428973556.db2.gz	BWZCZZMCLHRTRJ-CQSZACIVSA-N	0	3	309.360	2.735	20	30		DFEDHN
CCCN(CC(=O)N(CC)CCC#N)[C@@H]1C[C@H](OCC)C1(C)C	ZINC000354467270	428988201	/nfs/dbraw/zinc/98/82/01/428988201.db2.gz	WVKWLNQKVCUYBK-CVEARBPZSA-N	0	3	323.481	2.664	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000354554659	428997159	/nfs/dbraw/zinc/99/71/59/428997159.db2.gz	ZLAUKHDCJWSAGT-ZWNOBZJWSA-N	0	3	312.291	2.765	20	30		DFEDHN
Cc1c(C#N)c(C#N)ccc1NC(=O)C1CCN(C2CC2)CC1	ZINC000421563992	429001626	/nfs/dbraw/zinc/00/16/26/429001626.db2.gz	YFMBHRSJDWCGOY-UHFFFAOYSA-N	0	3	308.385	2.551	20	30		DFEDHN
C=CCOc1cccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1	ZINC000354707355	429005553	/nfs/dbraw/zinc/00/55/53/429005553.db2.gz	CJQPBIMAPVYIAB-RTBURBONSA-N	0	3	317.429	2.661	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000354726074	429006316	/nfs/dbraw/zinc/00/63/16/429006316.db2.gz	IQZLYYBFXHHZCK-MOPGFXCFSA-N	0	3	317.429	2.661	20	30		DFEDHN
C=CCOCC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000354733263	429007237	/nfs/dbraw/zinc/00/72/37/429007237.db2.gz	OYXCUVHKIIOVBQ-SJLPKXTDSA-N	0	3	316.445	2.873	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1	ZINC000354726081	429007763	/nfs/dbraw/zinc/00/77/63/429007763.db2.gz	IQZLYYBFXHHZCK-RBUKOAKNSA-N	0	3	317.429	2.661	20	30		DFEDHN
CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424084294	429090156	/nfs/dbraw/zinc/09/01/56/429090156.db2.gz	NZUSHIUSCVRTKR-OAHLLOKOSA-N	0	3	316.405	2.631	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1nc2cc(Cl)ccc2s1	ZINC000424104044	429091483	/nfs/dbraw/zinc/09/14/83/429091483.db2.gz	ODQDWEPYPZEFMH-SNVBAGLBSA-N	0	3	322.821	2.587	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC2(CCC2)c2c1cccc2F	ZINC000424110977	429093342	/nfs/dbraw/zinc/09/33/42/429093342.db2.gz	DZOKKRBKDBHDPF-ZDUSSCGKSA-N	0	3	301.365	2.615	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccc(F)cc1	ZINC000424124177	429094057	/nfs/dbraw/zinc/09/40/57/429094057.db2.gz	LPZRXYVLMCGVEN-HZPDHXFCSA-N	0	3	303.381	2.900	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C12CCCCC2	ZINC000424134216	429095714	/nfs/dbraw/zinc/09/57/14/429095714.db2.gz	YBZZVBNBJPQJCY-HRCADAONSA-N	0	3	321.465	2.594	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)C1=O	ZINC000452023098	429039553	/nfs/dbraw/zinc/03/95/53/429039553.db2.gz	WAFUPKKLVAOWEX-JFIYKMOQSA-N	0	3	314.429	2.660	20	30		DFEDHN
CC(C)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1	ZINC000355338171	429040360	/nfs/dbraw/zinc/04/03/60/429040360.db2.gz	QZRBXTRQYACVCR-CABCVRRESA-N	0	3	312.373	2.655	20	30		DFEDHN
Cc1c(F)cccc1C(=O)C(C#N)c1nnc2n1CCCCC2	ZINC000422122510	429048397	/nfs/dbraw/zinc/04/83/97/429048397.db2.gz	PZPXBBCVIZBUTC-ZDUSSCGKSA-N	0	3	312.348	2.942	20	30		DFEDHN
CC(C)(C)C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000452086029	429054636	/nfs/dbraw/zinc/05/46/36/429054636.db2.gz	WVYDJYHEAWWHDN-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H](C)C1	ZINC000452127523	429067157	/nfs/dbraw/zinc/06/71/57/429067157.db2.gz	SPWCRNPUDDLRMM-CYJAXWMASA-N	0	3	315.461	2.649	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Br)c1	ZINC000424083929	429088381	/nfs/dbraw/zinc/08/83/81/429088381.db2.gz	BNVZMIODQRIFIP-ZWNOBZJWSA-N	0	3	324.222	2.647	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1	ZINC000424532374	429149069	/nfs/dbraw/zinc/14/90/69/429149069.db2.gz	OXNIDUPQIGGKTJ-JJXSEGSLSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453424144	429150588	/nfs/dbraw/zinc/15/05/88/429150588.db2.gz	HRULRHTWEMECIP-HUUCEWRRSA-N	0	3	305.470	2.898	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N2C[C@H]3CCCC[C@@H]3C2)C1=O	ZINC000083243487	274929423	/nfs/dbraw/zinc/92/94/23/274929423.db2.gz	NNXGJPISPPCEQZ-KFWWJZLASA-N	0	3	315.442	2.847	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCN(Cc3ccccc3)CC[C@@H]2C)n1	ZINC000376404341	429107679	/nfs/dbraw/zinc/10/76/79/429107679.db2.gz	XOIAPLCDKCUWQW-INIZCTEOSA-N	0	3	321.428	2.758	20	30		DFEDHN
CSc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)OCCO2	ZINC000424195656	429108432	/nfs/dbraw/zinc/10/84/32/429108432.db2.gz	MLQMTBXVWRBRLM-WCQYABFASA-N	0	3	304.415	2.962	20	30		DFEDHN
C=C(C)C(C)(C)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000424351293	429129778	/nfs/dbraw/zinc/12/97/78/429129778.db2.gz	VXAXMIWLFZTILY-UHFFFAOYSA-N	0	3	316.405	2.926	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCC2(F)F)cc1	ZINC000452834238	429139665	/nfs/dbraw/zinc/13/96/65/429139665.db2.gz	WQJQTJRCTIWEFG-HUUCEWRRSA-N	0	3	317.339	2.792	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccsc1	ZINC000487193627	429141362	/nfs/dbraw/zinc/14/13/62/429141362.db2.gz	ZPQUJTVMRDNPJG-GOEBONIOSA-N	0	3	314.410	2.670	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CCOCC1	ZINC000424590741	429160335	/nfs/dbraw/zinc/16/03/35/429160335.db2.gz	ZHCXDOGJJZPDMM-JKSUJKDBSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000454336420	429165149	/nfs/dbraw/zinc/16/51/49/429165149.db2.gz	GUJODIUFYLTKEO-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000454531811	429167341	/nfs/dbraw/zinc/16/73/41/429167341.db2.gz	YVJWMSOPASKRNA-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
Cc1nc(NC[C@@H](c2ccccc2)N2CCCC2)ccc1C#N	ZINC000487895380	429171975	/nfs/dbraw/zinc/17/19/75/429171975.db2.gz	INGIGHCPUGPQDS-SFHVURJKSA-N	0	3	306.413	3.511	20	30		DFEDHN
Cc1cc(CN(C)C[C@@H]2CCCN2c2cccnn2)ccc1C#N	ZINC000487890823	429172322	/nfs/dbraw/zinc/17/23/22/429172322.db2.gz	ANTMEDFQRDJGML-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000454802316	429172833	/nfs/dbraw/zinc/17/28/33/429172833.db2.gz	NNPRMISXUQHLEN-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C(C)CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000455141622	429181318	/nfs/dbraw/zinc/18/13/18/429181318.db2.gz	CQRLWHZVWOJIBW-UHFFFAOYSA-N	0	3	316.449	2.916	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@@H](C(C)C)C2)cc(OC)c1O	ZINC000488545110	429182260	/nfs/dbraw/zinc/18/22/60/429182260.db2.gz	OMKREJWPZZMSNV-QGZVFWFLSA-N	0	3	318.461	2.901	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000455320077	429185821	/nfs/dbraw/zinc/18/58/21/429185821.db2.gz	HFWMBTHIPSPAIU-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000455320083	429186512	/nfs/dbraw/zinc/18/65/12/429186512.db2.gz	HFWMBTHIPSPAIU-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1	ZINC000488717949	429190281	/nfs/dbraw/zinc/19/02/81/429190281.db2.gz	FNJMRKCNPKTVMI-PMUMKWKESA-N	0	3	311.429	2.927	20	30		DFEDHN
C=CCn1cccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000488929542	429207714	/nfs/dbraw/zinc/20/77/14/429207714.db2.gz	DELMAZQTZNFSEB-INIZCTEOSA-N	0	3	311.429	2.924	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCC#Cc2ccc(F)cc2)C1	ZINC000495481577	429213169	/nfs/dbraw/zinc/21/31/69/429213169.db2.gz	RJERGAAFYQARGY-ZBFHGGJFSA-N	0	3	318.392	2.634	20	30		DFEDHN
C=CCCCS(=O)(=O)N1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1	ZINC000489119749	429219167	/nfs/dbraw/zinc/21/91/67/429219167.db2.gz	RNYMZVXJRPLAHE-OWCLPIDISA-N	0	3	314.495	2.620	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccccc2C#N)C1	ZINC000495555709	429222422	/nfs/dbraw/zinc/22/24/22/429222422.db2.gz	GPANVKQMQNAAJA-CJNGLKHVSA-N	0	3	301.390	2.515	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(CC#N)c1	ZINC000455909302	429223221	/nfs/dbraw/zinc/22/32/21/429223221.db2.gz	AXPVANKHXPTXAM-SJORKVTESA-N	0	3	312.417	2.843	20	30		DFEDHN
COCC[C@@H](Cc1ccco1)NCc1ccc(C#N)c(OC)c1	ZINC000440641610	429225882	/nfs/dbraw/zinc/22/58/82/429225882.db2.gz	VZEPNAKKTODWTR-INIZCTEOSA-N	0	3	314.385	2.897	20	30		DFEDHN
COc1cc(CNCCC(=O)Nc2ccccc2)ccc1C#N	ZINC000440809995	429227574	/nfs/dbraw/zinc/22/75/74/429227574.db2.gz	BVDNXEUSLMGUDK-UHFFFAOYSA-N	0	3	309.369	2.685	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC[C@H](C)C1	ZINC000440998953	429230115	/nfs/dbraw/zinc/23/01/15/429230115.db2.gz	NYAKSYHXOHINIC-JUVOFCAFSA-N	0	3	320.481	2.736	20	30		DFEDHN
C=CCC1(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)CCOCC1	ZINC000424836632	429197972	/nfs/dbraw/zinc/19/79/72/429197972.db2.gz	SOMYHFPVAOVOFX-INIZCTEOSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccccc2OCCF)CC1	ZINC000455721910	429203776	/nfs/dbraw/zinc/20/37/76/429203776.db2.gz	ZQGAOGCILHWKOW-UHFFFAOYSA-N	0	3	321.396	2.807	20	30		DFEDHN
CC1=C(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CCC1	ZINC000437343588	429204315	/nfs/dbraw/zinc/20/43/15/429204315.db2.gz	HCOQOIGJOZCBST-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
Cc1cccc(NC[C@H]2CCCN2Cc2cc(C#N)n(C)c2)n1	ZINC000365232244	429283915	/nfs/dbraw/zinc/28/39/15/429283915.db2.gz	BVPRJIKZPRBUPT-MRXNPFEDSA-N	0	3	309.417	2.677	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(O[C@H]2CCOC2)CC1	ZINC000442687550	429235685	/nfs/dbraw/zinc/23/56/85/429235685.db2.gz	YLOJEBIAIIPWRV-KSSFIOAISA-N	0	3	300.402	2.889	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@@H]2CC[C@H](C#N)C2)C1	ZINC000495661886	429241618	/nfs/dbraw/zinc/24/16/18/429241618.db2.gz	NLEAEEPJZLWECL-JJRVBVJISA-N	0	3	307.438	2.915	20	30		DFEDHN
C=C(C)CS(=O)(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000443088118	429245590	/nfs/dbraw/zinc/24/55/90/429245590.db2.gz	MDPSKHUCRXRPCN-UHFFFAOYSA-N	0	3	314.495	2.528	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(CF)CCOCC1	ZINC000456123833	429246780	/nfs/dbraw/zinc/24/67/80/429246780.db2.gz	QCJRMEIIBFIQSF-MRXNPFEDSA-N	0	3	318.392	2.641	20	30		DFEDHN
CO[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H]1C	ZINC000456142530	429249101	/nfs/dbraw/zinc/24/91/01/429249101.db2.gz	NNQISGHEPUYSSD-HYVNUMGLSA-N	0	3	300.402	2.642	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000425270742	429254735	/nfs/dbraw/zinc/25/47/35/429254735.db2.gz	UEOUSSJFCFOFJW-HEHGZKQESA-N	0	3	314.389	2.633	20	30		DFEDHN
C=CCCCS(=O)(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1	ZINC000489644381	429254726	/nfs/dbraw/zinc/25/47/26/429254726.db2.gz	PSIKTOQGOLZVHH-LSDHHAIUSA-N	0	3	314.495	2.525	20	30		DFEDHN
C=CCOCCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000495792455	429266093	/nfs/dbraw/zinc/26/60/93/429266093.db2.gz	FSPNHYJUQVKGLL-KRWDZBQOSA-N	0	3	310.438	2.664	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C	ZINC000490036760	429274979	/nfs/dbraw/zinc/27/49/79/429274979.db2.gz	RKPQTRZTEYOKGY-SJLPKXTDSA-N	0	3	313.445	2.935	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC[C@H]2CCCCN2CC)cc1	ZINC000448958368	429322326	/nfs/dbraw/zinc/32/23/26/429322326.db2.gz	WZUIWIOEQROKBT-QGZVFWFLSA-N	0	3	316.445	2.785	20	30		DFEDHN
C#CCN(C)CCCN[C@H](c1ccc(F)cc1)c1ccccn1	ZINC000491072634	429322739	/nfs/dbraw/zinc/32/27/39/429322739.db2.gz	UULLDQOKDRMRGA-LJQANCHMSA-N	0	3	311.404	2.855	20	30		DFEDHN
N#Cc1c(F)ccc(CNC[C@H]2CCc3nccn3C2)c1Cl	ZINC000365499459	429329284	/nfs/dbraw/zinc/32/92/84/429329284.db2.gz	ZSGNIGOMKUBGOV-LLVKDONJSA-N	0	3	318.783	2.899	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)Nc1cccc(OCCN(C)C)c1	ZINC000491193465	429333879	/nfs/dbraw/zinc/33/38/79/429333879.db2.gz	ZQAYFPKRMHFUSV-AWEZNQCLSA-N	0	3	303.406	2.550	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@]2(CCOC2)C1	ZINC000456699007	429338485	/nfs/dbraw/zinc/33/84/85/429338485.db2.gz	SCQVSPJLZNNPEU-MJGOQNOKSA-N	0	3	312.413	2.788	20	30		DFEDHN
CC#CCN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1	ZINC000365570257	429343490	/nfs/dbraw/zinc/34/34/90/429343490.db2.gz	MXBPAVZEGNNLFD-GOSISDBHSA-N	0	3	302.462	2.903	20	30		DFEDHN
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@@H]1C	ZINC000445822320	429289930	/nfs/dbraw/zinc/28/99/30/429289930.db2.gz	QQWOHXGJJZNWON-NWDGAFQWSA-N	0	3	321.371	2.829	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CC1	ZINC000365297847	429297074	/nfs/dbraw/zinc/29/70/74/429297074.db2.gz	JFDFRASNAUTNFM-KRWDZBQOSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC(F)(F)F)C(C)C)CC1	ZINC000446593626	429298885	/nfs/dbraw/zinc/29/88/85/429298885.db2.gz	OYIUDCSHBVGPSV-CYBMUJFWSA-N	0	3	321.387	2.913	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425457784	429301340	/nfs/dbraw/zinc/30/13/40/429301340.db2.gz	ZBRAOKOSKOJKEX-RYQLBKOJSA-N	0	3	313.445	2.867	20	30		DFEDHN
C=CCN(CCOC)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000496036936	429303960	/nfs/dbraw/zinc/30/39/60/429303960.db2.gz	SFMGCYOSAOKAFW-HNNXBMFYSA-N	0	3	312.454	2.768	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1	ZINC000496016856	429303978	/nfs/dbraw/zinc/30/39/78/429303978.db2.gz	UYEPHRIYMMAEHX-INIZCTEOSA-N	0	3	316.401	2.526	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000425471049	429304155	/nfs/dbraw/zinc/30/41/55/429304155.db2.gz	VBZKFWVFIHRAEA-KEYYUXOJSA-N	0	3	314.433	2.743	20	30		DFEDHN
C#CCN(C[C@@H](O)CCOC(C)C)[C@H]1CCc2ccccc21	ZINC000490740863	429304524	/nfs/dbraw/zinc/30/45/24/429304524.db2.gz	OFDQYIQMGZUQSB-HKUYNNGSSA-N	0	3	301.430	2.785	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)c2nccn21	ZINC000456440259	429307892	/nfs/dbraw/zinc/30/78/92/429307892.db2.gz	YKIDWXVUKCWEOQ-FVQBIDKESA-N	0	3	308.385	2.778	20	30		DFEDHN
C=CCCCNC(=O)NCCCN1CCc2ccccc2C1	ZINC000447983430	429309430	/nfs/dbraw/zinc/30/94/30/429309430.db2.gz	RBXRYJVNONZNOH-UHFFFAOYSA-N	0	3	301.434	2.700	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000425505063	429313066	/nfs/dbraw/zinc/31/30/66/429313066.db2.gz	MYMRYDGMCAKKOE-CKEIUWERSA-N	0	3	314.433	2.743	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000491707589	429393624	/nfs/dbraw/zinc/39/36/24/429393624.db2.gz	YKFJJOCYGLLFFF-SQWLQELKSA-N	0	3	319.474	2.842	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1	ZINC000457091492	429398849	/nfs/dbraw/zinc/39/88/49/429398849.db2.gz	MUODNTPFTJOAQW-QGZVFWFLSA-N	0	3	316.445	2.735	20	30		DFEDHN
C#C[C@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000491746056	429402694	/nfs/dbraw/zinc/40/26/94/429402694.db2.gz	ZLOJNAKKGKABCY-UONOGXRCSA-N	0	3	301.308	2.866	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000491752250	429403070	/nfs/dbraw/zinc/40/30/70/429403070.db2.gz	LWRHINHKRMXRHN-RYRKJORJSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc2ccc(OC)cc2c1	ZINC000491758724	429404329	/nfs/dbraw/zinc/40/43/29/429404329.db2.gz	JKKFMOXVBOHYEE-UHFFFAOYSA-N	0	3	310.397	2.533	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1	ZINC000517952648	429404805	/nfs/dbraw/zinc/40/48/05/429404805.db2.gz	RHOCTFQUSRKWTD-IBGZPJMESA-N	0	3	322.412	2.823	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000491786486	429408492	/nfs/dbraw/zinc/40/84/92/429408492.db2.gz	OYCVJXXSZCEUSQ-SQWLQELKSA-N	0	3	319.474	2.794	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](CO)[C@@H]2C)ccc1OC	ZINC000425962960	429355484	/nfs/dbraw/zinc/35/54/84/429355484.db2.gz	JYGLTWLTDGGATK-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCN(Cc1n[nH]cc1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000365668586	429358180	/nfs/dbraw/zinc/35/81/80/429358180.db2.gz	QWDKMKYSMCBXAZ-SFHVURJKSA-N	0	3	310.445	2.981	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1C	ZINC000426137931	429368321	/nfs/dbraw/zinc/36/83/21/429368321.db2.gz	INRXFWGTNSFFAA-JQWIXIFHSA-N	0	3	306.797	2.816	20	30		DFEDHN
Cc1ccc(NC[C@H](C#N)CCC#N)c(OCCN(C)C)c1	ZINC000515638159	429377660	/nfs/dbraw/zinc/37/76/60/429377660.db2.gz	UDIZIXBYHYUYAE-HNNXBMFYSA-N	0	3	300.406	2.791	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@@H]2CCCC[C@@H]21	ZINC000515548567	429377865	/nfs/dbraw/zinc/37/78/65/429377865.db2.gz	HJRYTIREZZPCKP-MUQADHOPSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1	ZINC000516852875	429383437	/nfs/dbraw/zinc/38/34/37/429383437.db2.gz	OPQZVBHOAXIFHA-CVEARBPZSA-N	0	3	311.385	2.672	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)C[C@H]1CCCN1CC)c1ccc(F)cc1	ZINC000491646296	429384708	/nfs/dbraw/zinc/38/47/08/429384708.db2.gz	SOEVESGZULUUON-SJORKVTESA-N	0	3	317.408	2.626	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000491671574	429389536	/nfs/dbraw/zinc/38/95/36/429389536.db2.gz	XDASDSBDTYJZAI-ZIAGYGMSSA-N	0	3	305.447	2.548	20	30		DFEDHN
CC(C)C1(C)CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000426755078	429412956	/nfs/dbraw/zinc/41/29/56/429412956.db2.gz	WJKYQTMEPVBUPD-UHFFFAOYSA-N	0	3	313.445	2.933	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491814006	429414349	/nfs/dbraw/zinc/41/43/49/429414349.db2.gz	CAPHXQGXPOHMSI-ZUZCIYMTSA-N	0	3	308.784	2.658	20	30		DFEDHN
C#CCN(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1	ZINC000491820385	429416371	/nfs/dbraw/zinc/41/63/71/429416371.db2.gz	RGDZDVDKXHHCRN-SFHVURJKSA-N	0	3	312.438	2.909	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1cscn1)C(C)C	ZINC000491840905	429419719	/nfs/dbraw/zinc/41/97/19/429419719.db2.gz	CPJCFABJXVSUTJ-PTZVLDCSSA-N	0	3	319.474	2.971	20	30		DFEDHN
Cc1nnc(C)n1N=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000492150504	429476590	/nfs/dbraw/zinc/47/65/90/429476590.db2.gz	PEWQVVXUMDDXCB-ZDUSSCGKSA-N	0	3	309.414	2.526	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cn2ccc(Br)cc2n1	ZINC000449694564	429481909	/nfs/dbraw/zinc/48/19/09/429481909.db2.gz	BZXYCLJCWXQZLJ-GFCCVEGCSA-N	0	3	324.222	2.514	20	30		DFEDHN
CC(C)N(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCOC1	ZINC000428484850	429530152	/nfs/dbraw/zinc/53/01/52/429530152.db2.gz	RAZXYDHAIBLPPC-SJORKVTESA-N	0	3	300.402	2.785	20	30		DFEDHN
Cc1cnn([C@H]2CCN(C(=O)C(C#N)CCc3ccccc3)C2)c1	ZINC000428150495	429495489	/nfs/dbraw/zinc/49/54/89/429495489.db2.gz	KIZIHYHEEFGALU-MSOLQXFVSA-N	0	3	322.412	2.738	20	30		DFEDHN
Cc1nc(CN(C)[C@@H]2CCN(CCCCC(C)(C)C#N)C2)no1	ZINC000366791523	429515108	/nfs/dbraw/zinc/51/51/08/429515108.db2.gz	MDTBYPZUHQTFBM-OAHLLOKOSA-N	0	3	319.453	2.604	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2cc(C)cc(C)c2)CC1	ZINC000492368856	429522264	/nfs/dbraw/zinc/52/22/64/429522264.db2.gz	TYRQMPFOVSAAPL-SREVYHEPSA-N	0	3	310.441	2.921	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[C@@H](C)O1)C(C)C	ZINC000457763534	429523661	/nfs/dbraw/zinc/52/36/61/429523661.db2.gz	ZCWHDUMSVHDUCK-IXDOHACOSA-N	0	3	323.481	2.552	20	30		DFEDHN
Cc1ccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428811030	429554720	/nfs/dbraw/zinc/55/47/20/429554720.db2.gz	YYHDOJAJUGKQCS-GOSISDBHSA-N	0	3	307.397	2.958	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CCN(CC2CC2)CC1	ZINC000521580256	429556188	/nfs/dbraw/zinc/55/61/88/429556188.db2.gz	WIZMURFXAOPFNY-UHFFFAOYSA-N	0	3	315.465	2.654	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1CCNC[C@](C)(F)C1	ZINC000521987633	429571581	/nfs/dbraw/zinc/57/15/81/429571581.db2.gz	BCGHVRLJAOBQHT-KRWDZBQOSA-N	0	3	316.355	2.692	20	30		DFEDHN
C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000492608309	429577205	/nfs/dbraw/zinc/57/72/05/429577205.db2.gz	LBOMACXIXHJBAT-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
C=CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000522044450	429578484	/nfs/dbraw/zinc/57/84/84/429578484.db2.gz	SWEZKQMAAICFJI-GOSISDBHSA-N	0	3	313.445	2.718	20	30		DFEDHN
CO[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C12CCC2	ZINC000458156195	429588562	/nfs/dbraw/zinc/58/85/62/429588562.db2.gz	CFWPIHGEVGGQII-BRWVUGGUSA-N	0	3	312.413	2.833	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CCCC1	ZINC000449886739	429531505	/nfs/dbraw/zinc/53/15/05/429531505.db2.gz	HSQXHPKZLRDRDL-KRWDZBQOSA-N	0	3	321.509	2.513	20	30		DFEDHN
C=CCC1(NC(=O)NC[C@H]2CCCN2CCOC)CCCCC1	ZINC000458380106	429630212	/nfs/dbraw/zinc/63/02/12/429630212.db2.gz	ZNLFKYPIFHFURI-MRXNPFEDSA-N	0	3	323.481	2.675	20	30		DFEDHN
C[C@@H](O)CN(CCOc1ccccc1C#N)Cc1ccccc1	ZINC000524970877	429642754	/nfs/dbraw/zinc/64/27/54/429642754.db2.gz	CKTQYIHDGPTTJK-MRXNPFEDSA-N	0	3	310.397	2.820	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450325788	429600087	/nfs/dbraw/zinc/60/00/87/429600087.db2.gz	VKZDTHZAHFVETF-RYUDHWBXSA-N	0	3	303.366	2.536	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCCCC(C)(C)C#N)O1	ZINC000367226861	429602014	/nfs/dbraw/zinc/60/20/14/429602014.db2.gz	VLQYSERQMAQWHH-FZKCQIBNSA-N	0	3	322.449	2.890	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2cc(C#N)ccc2Br)CCN1C	ZINC000492749531	429606829	/nfs/dbraw/zinc/60/68/29/429606829.db2.gz	OCHPAUOCEKAYNE-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@H]1[C@H](C)N(Cc2cc(C#N)ccc2Br)CCN1C	ZINC000492749533	429607517	/nfs/dbraw/zinc/60/75/17/429607517.db2.gz	OCHPAUOCEKAYNE-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000263664660	276172575	/nfs/dbraw/zinc/17/25/75/276172575.db2.gz	IBRXRVOSZIYMHV-CQSZACIVSA-N	0	3	317.437	2.721	20	30		DFEDHN
CC(C)CN(CCOc1ccccc1C#N)Cc1cnn(C)c1	ZINC000459595005	429700543	/nfs/dbraw/zinc/70/05/43/429700543.db2.gz	QNWADJAMDBTDAJ-UHFFFAOYSA-N	0	3	312.417	2.829	20	30		DFEDHN
CCS(=O)(=O)C[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360646364	276389529	/nfs/dbraw/zinc/38/95/29/276389529.db2.gz	IDAJLCKVKRMQRW-GUYCJALGSA-N	0	3	320.458	2.739	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H]2CCN(C)[C@@H]2c2cccs2)n1	ZINC000367732472	429709351	/nfs/dbraw/zinc/70/93/51/429709351.db2.gz	ZPJDRFUKPVXWNI-PBHICJAKSA-N	0	3	312.442	3.428	20	30		DFEDHN
CCCCN(C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000475938930	429716199	/nfs/dbraw/zinc/71/61/99/429716199.db2.gz	MULQXUUAUFYDJA-UHFFFAOYSA-N	0	3	301.434	2.949	20	30		DFEDHN
C=C(CNC(=O)NCCN1CCC[C@@H](C)C1)c1ccccc1	ZINC000479338066	429719380	/nfs/dbraw/zinc/71/93/80/429719380.db2.gz	DFTGBLMOVFLKPI-OAHLLOKOSA-N	0	3	301.434	2.731	20	30		DFEDHN
CC(C)[C@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C	ZINC000431122867	429744015	/nfs/dbraw/zinc/74/40/15/429744015.db2.gz	VYFWYVYWMSKTMB-DOTOQJQBSA-N	0	3	302.418	2.664	20	30		DFEDHN
O[C@@H]1C[C@H]([C@H]2CCCOC2)N(CC#Cc2cccc(Cl)c2)C1	ZINC000451303743	429808219	/nfs/dbraw/zinc/80/82/19/429808219.db2.gz	NDQYYKBTIISNMM-CGTJXYLNSA-N	0	3	319.832	2.553	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000451272181	429801336	/nfs/dbraw/zinc/80/13/36/429801336.db2.gz	UMQRYNMKTNZNFC-KBXCAEBGSA-N	0	3	324.428	2.924	20	30		DFEDHN
Cc1cccc(C2(NCC(=O)NC3(C#N)CCC3)CCCC2)c1	ZINC000527377773	429748012	/nfs/dbraw/zinc/74/80/12/429748012.db2.gz	AJZNTCIEWZUMOL-UHFFFAOYSA-N	0	3	311.429	2.916	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCC(O)CC2)CC1	ZINC000451147454	429775169	/nfs/dbraw/zinc/77/51/69/429775169.db2.gz	QWCGESHRQBKJQV-MRXNPFEDSA-N	0	3	322.493	2.817	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)o1	ZINC000432411847	429822016	/nfs/dbraw/zinc/82/20/16/429822016.db2.gz	BXXBCBJWSFQHTQ-UHFFFAOYSA-N	0	3	303.406	2.735	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000451447476	429829731	/nfs/dbraw/zinc/82/97/31/429829731.db2.gz	BSDFHPLTRCOTOQ-SJORKVTESA-N	0	3	320.477	2.740	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1cncc(C#N)n1	ZINC000528115871	429850507	/nfs/dbraw/zinc/85/05/07/429850507.db2.gz	QDZUKGJYNIRBSL-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000528128659	429851220	/nfs/dbraw/zinc/85/12/20/429851220.db2.gz	WROUZHQVLPIMCA-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC1(C#N)CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1	ZINC000528151075	429856231	/nfs/dbraw/zinc/85/62/31/429856231.db2.gz	WSZXJEZBKVVMRB-INIZCTEOSA-N	0	3	318.465	2.729	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000368513412	429860038	/nfs/dbraw/zinc/86/00/38/429860038.db2.gz	DMVYGBXNKZKGLL-UHFFFAOYSA-N	0	3	320.481	2.690	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C	ZINC000451599552	429860708	/nfs/dbraw/zinc/86/07/08/429860708.db2.gz	OPZVELVLWRAAJQ-RYRKJORJSA-N	0	3	320.408	2.572	20	30		DFEDHN
N#Cc1nc(NC[C@H]2CCN2C2CCCC2)ccc1C(F)(F)F	ZINC000528212239	429861792	/nfs/dbraw/zinc/86/17/92/429861792.db2.gz	SATUUQDTILTSBJ-GFCCVEGCSA-N	0	3	324.350	3.401	20	30		DFEDHN
CCc1nnc(NC[C@@H]2CCN2C2CCCC2)c(C#N)c1CC	ZINC000528206733	429861976	/nfs/dbraw/zinc/86/19/76/429861976.db2.gz	DVZWTSJNQDODKO-AWEZNQCLSA-N	0	3	313.449	2.902	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000451633723	429864704	/nfs/dbraw/zinc/86/47/04/429864704.db2.gz	RXMATEWJWCVELW-ZIAGYGMSSA-N	0	3	309.207	2.978	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000368554359	429865164	/nfs/dbraw/zinc/86/51/64/429865164.db2.gz	BVODZCDJURGNJK-FMEYXAORSA-N	0	3	324.380	2.562	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC1=Nn1cnnc1	ZINC000494297650	429865716	/nfs/dbraw/zinc/86/57/16/429865716.db2.gz	DXRSKSOSEVKLEO-OCCSQVGLSA-N	0	3	319.409	2.682	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)n1	ZINC000528365357	429878805	/nfs/dbraw/zinc/87/88/05/429878805.db2.gz	XDSUWYOOTFYMOB-KGLIPLIRSA-N	0	3	305.447	2.686	20	30		DFEDHN
Cc1nc([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)sc1C	ZINC000528363148	429879777	/nfs/dbraw/zinc/87/97/77/429879777.db2.gz	LIUKWFKMKJFBRH-CABCVRRESA-N	0	3	319.474	2.994	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCN1C[C@@H](O)CC1(C#N)CC1	ZINC000528371305	429880748	/nfs/dbraw/zinc/88/07/48/429880748.db2.gz	HLJNEQUCERXUPO-HOCLYGCPSA-N	0	3	300.402	2.887	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCOCC2	ZINC000368655801	429882751	/nfs/dbraw/zinc/88/27/51/429882751.db2.gz	PKNSZSQJUKILAC-DLBZAZTESA-N	0	3	300.402	2.622	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](Cc2ccncc2)C1	ZINC000368652334	429883401	/nfs/dbraw/zinc/88/34/01/429883401.db2.gz	ZEYLOGANBGAHFC-FUHWJXTLSA-N	0	3	315.461	2.759	20	30		DFEDHN
Cc1cc([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n[nH]1	ZINC000368662815	429884337	/nfs/dbraw/zinc/88/43/37/429884337.db2.gz	KXBCGEVMOQRWGH-INIZCTEOSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)[nH]n1	ZINC000368662815	429884339	/nfs/dbraw/zinc/88/43/39/429884339.db2.gz	KXBCGEVMOQRWGH-INIZCTEOSA-N	0	3	310.401	2.848	20	30		DFEDHN
C[C@@H]1CC2(CCC2)CN1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528477805	429891768	/nfs/dbraw/zinc/89/17/68/429891768.db2.gz	RCCNIKUEXWDOHT-OAHLLOKOSA-N	0	3	322.408	2.551	20	30		DFEDHN
C[C@]1(c2ccc(F)cc2)CCN(C[C@H](O)CC2(C#N)CC2)C1	ZINC000528488042	429892633	/nfs/dbraw/zinc/89/26/33/429892633.db2.gz	NDJQYPIKGFJKGE-SJORKVTESA-N	0	3	302.393	2.844	20	30		DFEDHN
CC1(C)CN(C[C@H](O)CC2(C#N)CC2)Cc2ccccc2O1	ZINC000528502569	429894624	/nfs/dbraw/zinc/89/46/24/429894624.db2.gz	HPZXJCSIADVGOE-OAHLLOKOSA-N	0	3	300.402	2.714	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc(-c3ccc(F)cc3)no2)CC1	ZINC000623951721	429928669	/nfs/dbraw/zinc/92/86/69/429928669.db2.gz	YFPUZLCHANDAIK-UHFFFAOYSA-N	0	3	316.380	3.328	20	30		DFEDHN
N#Cc1ccc(C2=CCN(C[C@@H]3CC4(CC4)C(=O)O3)CC2)cc1	ZINC000368893210	429900631	/nfs/dbraw/zinc/90/06/31/429900631.db2.gz	GHJXSBVITFEXQR-KRWDZBQOSA-N	0	3	308.381	2.743	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1C[C@H](c2cccc(OC)c2)C(C)(C)C1	ZINC000528621165	429902434	/nfs/dbraw/zinc/90/24/34/429902434.db2.gz	OPNQWCDUYFIYKP-RHSMWYFYSA-N	0	3	316.445	2.811	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(C)(N2CCOCC2)CC1	ZINC000528726642	429909793	/nfs/dbraw/zinc/90/97/93/429909793.db2.gz	JWNBIJWAXNLLGX-UHFFFAOYSA-N	0	3	313.445	2.553	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@@H]1Cc1cccc(OC)c1	ZINC000528749047	429912554	/nfs/dbraw/zinc/91/25/54/429912554.db2.gz	KHTBKXSCXGAYOD-QGZVFWFLSA-N	0	3	316.445	2.785	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(OCc3ccccc3)CC2)CC1	ZINC000528335171	429875250	/nfs/dbraw/zinc/87/52/50/429875250.db2.gz	CQQOYXBINOQNQO-QGZVFWFLSA-N	0	3	314.429	2.722	20	30		DFEDHN
Cc1ccc2occ(CC(=O)C(C#N)C(=O)N3CCCC3)c2c1	ZINC000528913939	429933002	/nfs/dbraw/zinc/93/30/02/429933002.db2.gz	JVIMYNKBFJLOQM-HNNXBMFYSA-N	0	3	310.353	2.615	20	30		DFEDHN
N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528928907	429936640	/nfs/dbraw/zinc/93/66/40/429936640.db2.gz	PYUVWMMXALJKTR-YNEHKIRRSA-N	0	3	311.366	2.594	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ccncn2)C1)c1ccc(C#N)s1	ZINC000369444390	429944890	/nfs/dbraw/zinc/94/48/90/429944890.db2.gz	UNTOBZLYZFJTJV-QWHCGFSZSA-N	0	3	313.430	2.729	20	30		DFEDHN
CN(c1ccc(C#N)c(N)n1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000574412848	430041144	/nfs/dbraw/zinc/04/11/44/430041144.db2.gz	BTOXSMWDSFOEGL-KRWDZBQOSA-N	0	3	321.428	2.636	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccsc2)cc1	ZINC000530240843	430107963	/nfs/dbraw/zinc/10/79/63/430107963.db2.gz	ALCLVYLJESZECA-HYVNUMGLSA-N	0	3	314.410	2.505	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000373101372	276877923	/nfs/dbraw/zinc/87/79/23/276877923.db2.gz	XIPOKNQEJUNVID-RBUKOAKNSA-N	0	3	319.408	2.906	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(CCC#N)CC1	ZINC000577218011	430112580	/nfs/dbraw/zinc/11/25/80/430112580.db2.gz	IUVRPTBLSZFQFB-MRXNPFEDSA-N	0	3	320.481	2.832	20	30		DFEDHN
C[C@@H](CNC[C@H](C#N)CCC#N)N1CCc2sccc2C1	ZINC000561256276	430083010	/nfs/dbraw/zinc/08/30/10/430083010.db2.gz	ACYTZYFNVIIURP-KBPBESRZSA-N	0	3	302.447	2.528	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCCOc1c(C)cccc1C	ZINC000532161042	430152646	/nfs/dbraw/zinc/15/26/46/430152646.db2.gz	OGIUQFWUFQEMHG-UHFFFAOYSA-N	0	3	304.434	2.696	20	30		DFEDHN
N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CCC[C@@H]2C[C@@H]21	ZINC000581057594	430173879	/nfs/dbraw/zinc/17/38/79/430173879.db2.gz	SEMKNRMQYXVKEO-SWHYSGLUSA-N	0	3	303.793	2.928	20	30		DFEDHN
COC(=O)CCN(CCC1(C#N)CCCCC1)C[C@H]1CCCO1	ZINC000577939159	430117348	/nfs/dbraw/zinc/11/73/48/430117348.db2.gz	OENFXMPENDBHJC-MRXNPFEDSA-N	0	3	322.449	2.895	20	30		DFEDHN
C=CCCCCN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1	ZINC000580035615	430129227	/nfs/dbraw/zinc/12/92/27/430129227.db2.gz	YZMIQEFAECUMGC-OAHLLOKOSA-N	0	3	322.453	2.641	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H]2CCC[C@@H](C1)N2	ZINC000581122484	430178542	/nfs/dbraw/zinc/17/85/42/430178542.db2.gz	QSBRHALOEYZBQS-GASCZTMLSA-N	0	3	310.376	2.885	20	30		DFEDHN
COc1cc(CN(Cc2ccccc2)C[C@H](C)O)ccc1C#N	ZINC000562462980	430135088	/nfs/dbraw/zinc/13/50/88/430135088.db2.gz	DAJVYYPFSIWEFK-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nnn(-c2ccccc2)c1C	ZINC000563700462	430191544	/nfs/dbraw/zinc/19/15/44/430191544.db2.gz	MNGKFORPOSUIGE-KMFMINBZSA-N	0	3	312.417	2.817	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1cnc(C)s1	ZINC000564846784	430200544	/nfs/dbraw/zinc/20/05/44/430200544.db2.gz	SJWMXNXUUXPVPI-OAHLLOKOSA-N	0	3	318.442	2.710	20	30		DFEDHN
Cc1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)no1	ZINC000541911756	430197044	/nfs/dbraw/zinc/19/70/44/430197044.db2.gz	FGCPTRNATRXZKU-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
C=CCN(Cc1cccs1)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000564988964	430203022	/nfs/dbraw/zinc/20/30/22/430203022.db2.gz	HVQZXWAALQSXSD-CYBMUJFWSA-N	0	3	313.430	2.546	20	30		DFEDHN
COc1cccc(N2CC[C@@H](CNC[C@H](C#N)CCC#N)C2)c1	ZINC000565358297	430207223	/nfs/dbraw/zinc/20/72/23/430207223.db2.gz	QYWVWWRQLHFXPO-HOTGVXAUSA-N	0	3	312.417	2.555	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543456652	430248517	/nfs/dbraw/zinc/24/85/17/430248517.db2.gz	SBNGACQALOLLOU-XHDPSFHLSA-N	0	3	305.809	2.670	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ccnc(C#N)n1	ZINC000566480155	430263908	/nfs/dbraw/zinc/26/39/08/430263908.db2.gz	ZTRDNRCNGMSKLN-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
Cc1ccc([C@H](CNc2ccc(C#N)c(N)n2)N2CCCC2)cc1	ZINC000582191801	430276092	/nfs/dbraw/zinc/27/60/92/430276092.db2.gz	MPJTYZSWFZSCMV-KRWDZBQOSA-N	0	3	321.428	3.093	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000568011777	430305004	/nfs/dbraw/zinc/30/50/04/430305004.db2.gz	JRMDXNSOALYEHG-SUMWQHHRSA-N	0	3	311.429	2.856	20	30		DFEDHN
C=CCC[C@H](NC(=O)[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1	ZINC000635717434	430358285	/nfs/dbraw/zinc/35/82/85/430358285.db2.gz	OKUXDHCKDMEETM-BZSNNMDCSA-N	0	3	314.429	2.673	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(-c2scnc2C)cc1	ZINC000641768133	430467577	/nfs/dbraw/zinc/46/75/77/430467577.db2.gz	XBJOYOJCIQSVRR-MRXNPFEDSA-N	0	3	300.427	2.982	20	30		DFEDHN
CC[C@@]1(C(C)C)C[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000584346587	430475988	/nfs/dbraw/zinc/47/59/88/430475988.db2.gz	QRENQQHGSDMXNT-SJORKVTESA-N	0	3	320.458	2.746	20	30		DFEDHN
COc1ccc([C@H](CNc2ccncc2C#N)N2CCCC2)cc1	ZINC000548479756	430479728	/nfs/dbraw/zinc/47/97/28/430479728.db2.gz	FECUEBMFSOPEFW-IBGZPJMESA-N	0	3	322.412	2.633	20	30		DFEDHN
Cc1nsc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1C#N	ZINC000569788357	430485475	/nfs/dbraw/zinc/48/54/75/430485475.db2.gz	ZQZGNYKZTINXTC-UHFFFAOYSA-N	0	3	321.450	2.661	20	30		DFEDHN
C[C@H]1C[C@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000548753809	430497732	/nfs/dbraw/zinc/49/77/32/430497732.db2.gz	SWPDKZCBNKSSPS-QWRGUYRKSA-N	0	3	303.431	2.920	20	30		DFEDHN
C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000548753807	430497774	/nfs/dbraw/zinc/49/77/74/430497774.db2.gz	SWPDKZCBNKSSPS-GHMZBOCLSA-N	0	3	303.431	2.920	20	30		DFEDHN
COc1ccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)cc1OC	ZINC000570509630	430550110	/nfs/dbraw/zinc/55/01/10/430550110.db2.gz	IEWAQKPCYISCIA-UKRRQHHQSA-N	0	3	301.390	2.668	20	30		DFEDHN
Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1C#N	ZINC000570859749	430583591	/nfs/dbraw/zinc/58/35/91/430583591.db2.gz	GGCASYORZWPDFO-GWCFXTLKSA-N	0	3	306.435	2.778	20	30		DFEDHN
Cc1cc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)cc(C#N)n1	ZINC000570952615	430592365	/nfs/dbraw/zinc/59/23/65/430592365.db2.gz	RUZUJQUPUHGGAO-WBVHZDCISA-N	0	3	306.413	2.931	20	30		DFEDHN
CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000571169380	430609605	/nfs/dbraw/zinc/60/96/05/430609605.db2.gz	IWFLHXPCSYOJKE-CABCVRRESA-N	0	3	301.346	2.514	20	30		DFEDHN
COc1cc(CNCc2ccc(CC#N)cc2)cc2c1OCO2	ZINC000571283601	430618221	/nfs/dbraw/zinc/61/82/21/430618221.db2.gz	UTSQJPVKAHVZBZ-UHFFFAOYSA-N	0	3	310.353	2.780	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)Cc1cccc(C#N)c1F	ZINC000571342087	430621549	/nfs/dbraw/zinc/62/15/49/430621549.db2.gz	VSXCVQIUHMIAQY-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@](O)(CC)C2)cc1OC	ZINC000639384813	430628431	/nfs/dbraw/zinc/62/84/31/430628431.db2.gz	KWFWKSMTYPVXLX-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@H]1CCCN(Cc2cccs2)C1	ZINC000554487861	430638729	/nfs/dbraw/zinc/63/87/29/430638729.db2.gz	VYAGLSCAFJRFAH-JKSUJKDBSA-N	0	3	316.474	2.993	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)[C@H]1CNCCC1(F)F	ZINC000643989337	430648022	/nfs/dbraw/zinc/64/80/22/430648022.db2.gz	NDDGCMQWYWGYDA-CYBMUJFWSA-N	0	3	312.335	2.585	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N(CCN(C)C)C1CCCCC1	ZINC000556048097	430677666	/nfs/dbraw/zinc/67/76/66/430677666.db2.gz	LPLUFQXRVWLXJC-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
CS[C@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1N1CCCC1	ZINC000275382934	278168019	/nfs/dbraw/zinc/16/80/19/278168019.db2.gz	BQQPWHBRZONBPG-HOTGVXAUSA-N	0	3	305.422	2.713	20	30		DFEDHN
N#CC1(CCN2CCC[C@@H](N3CCOCC3)C2)CCCCC1	ZINC000572494147	430689132	/nfs/dbraw/zinc/68/91/32/430689132.db2.gz	LPTOZTXALJLHSN-QGZVFWFLSA-N	0	3	305.466	2.647	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)CSc1ccc(C#N)cc1	ZINC000103069334	278185857	/nfs/dbraw/zinc/18/58/57/278185857.db2.gz	VXZBWMWSDBPPOM-CQSZACIVSA-N	0	3	317.458	2.641	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000301058529	278258687	/nfs/dbraw/zinc/25/86/87/278258687.db2.gz	BCEOHYGINDMHEN-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000572678669	430694354	/nfs/dbraw/zinc/69/43/54/430694354.db2.gz	FTRSDZDZSPRIEA-NZSAHSFTSA-N	0	3	320.392	2.533	20	30		DFEDHN
Cn1cc([C@H]2CN(CCOc3ccccc3C#N)CC2(C)C)cn1	ZINC000572682195	430694521	/nfs/dbraw/zinc/69/45/21/430694521.db2.gz	CALQFSVYCPAEND-QGZVFWFLSA-N	0	3	324.428	2.796	20	30		DFEDHN
C=CCC1(C(=O)Nc2cnn(CCN(C)C)c2)CCCCC1	ZINC000648233017	430719216	/nfs/dbraw/zinc/71/92/16/430719216.db2.gz	YGXBVDMVKTWYSK-UHFFFAOYSA-N	0	3	304.438	2.910	20	30		DFEDHN
C=CCCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	ZINC000658116221	430816840	/nfs/dbraw/zinc/81/68/40/430816840.db2.gz	ZZKLNTZXKQELJG-QMMMGPOBSA-N	0	3	323.245	2.868	20	30		DFEDHN
C=CCN(CC(=O)N[C@H]1CCOc2ccccc21)C(C)(C)C	ZINC000661754675	430831422	/nfs/dbraw/zinc/83/14/22/430831422.db2.gz	ANQGHEMJCLQKPI-HNNXBMFYSA-N	0	3	302.418	2.913	20	30		DFEDHN
C=CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(C)(C)C	ZINC000661760357	430835037	/nfs/dbraw/zinc/83/50/37/430835037.db2.gz	SASPNGCZSSMPLZ-UHFFFAOYSA-N	0	3	310.463	2.723	20	30		DFEDHN
C[C@@H](O)[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000661768830	430836346	/nfs/dbraw/zinc/83/63/46/430836346.db2.gz	YTERVCCWKNIELN-IUODEOHRSA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000664970805	430794141	/nfs/dbraw/zinc/79/41/41/430794141.db2.gz	PEBXBBMCRFPASE-HNNXBMFYSA-N	0	3	307.463	2.887	20	30		DFEDHN
CN1C[C@@H]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1	ZINC000644732437	430805456	/nfs/dbraw/zinc/80/54/56/430805456.db2.gz	UPNJILBWGFVNKC-GOEBONIOSA-N	0	3	308.347	2.693	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1	ZINC000651694560	430851292	/nfs/dbraw/zinc/85/12/92/430851292.db2.gz	HRWLHICKZUIWIK-GDBMZVCRSA-N	0	3	302.418	2.847	20	30		DFEDHN
O[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2	ZINC000661832294	430857731	/nfs/dbraw/zinc/85/77/31/430857731.db2.gz	AFTBDPGTUMZMIC-HUUCEWRRSA-N	0	3	309.331	2.950	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NCC(=O)Nc2cc(OC)cc(OC)c2)C1	ZINC000651834214	430892276	/nfs/dbraw/zinc/89/22/76/430892276.db2.gz	JJZOWEJPKFPWQR-ZIAGYGMSSA-N	0	3	318.417	2.977	20	30		DFEDHN
C=CCOCCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000645087683	430899630	/nfs/dbraw/zinc/89/96/30/430899630.db2.gz	HLPXHENXOHLLMP-AWEZNQCLSA-N	0	3	303.324	2.705	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCO[C@@H]1CCCC[C@@H]1C	ZINC000662083635	430952262	/nfs/dbraw/zinc/95/22/62/430952262.db2.gz	IDANDEUOFTYIGF-WNRNVDISSA-N	0	3	320.477	2.881	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CN(CC)C[C@H]1C	ZINC000665727110	431017354	/nfs/dbraw/zinc/01/73/54/431017354.db2.gz	SDFRRDWFNSXKRN-NXHRZFHOSA-N	0	3	315.461	2.813	20	30		DFEDHN
C=CCOCCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000659512084	431075612	/nfs/dbraw/zinc/07/56/12/431075612.db2.gz	LUKYXVISMIHQDP-QGZVFWFLSA-N	0	3	319.449	2.702	20	30		DFEDHN
C=CCC1(CNC(=O)Nc2cnn(CCN(C)C)c2)CCCC1	ZINC000652632827	431103785	/nfs/dbraw/zinc/10/37/85/431103785.db2.gz	LDWIBTKLIZEHPT-UHFFFAOYSA-N	0	3	319.453	2.703	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]2CC)c(OC)c1	ZINC000292413204	335089493	/nfs/dbraw/zinc/08/94/93/335089493.db2.gz	MEYQMVHBUKXYLG-HZPDHXFCSA-N	0	3	305.418	2.648	20	30		DFEDHN
C=CC1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1	ZINC000649527966	431143011	/nfs/dbraw/zinc/14/30/11/431143011.db2.gz	XMBQSKLAIAKMDP-UHFFFAOYSA-N	0	3	320.458	2.525	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)N[C@H](CN)C(F)(F)F	ZINC000655917655	431221417	/nfs/dbraw/zinc/22/14/17/431221417.db2.gz	WKOVWFAYGFBHDE-GFCCVEGCSA-N	0	3	307.360	2.654	20	30		DFEDHN
C=C(CNC(=O)N1CCc2ccccc2[C@H]1CN)c1ccccc1	ZINC000646194320	431222684	/nfs/dbraw/zinc/22/26/84/431222684.db2.gz	MGNGJCFQVNWSPZ-LJQANCHMSA-N	0	3	321.424	2.968	20	30		DFEDHN
C=CCCCN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000649746120	431271240	/nfs/dbraw/zinc/27/12/40/431271240.db2.gz	NOMYYFBCPGVHJG-UHFFFAOYSA-N	0	3	322.474	2.881	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000663457277	431425394	/nfs/dbraw/zinc/42/53/94/431425394.db2.gz	DXXDGYNZWZYVDH-QGZVFWFLSA-N	0	3	317.433	2.707	20	30		DFEDHN
C=CCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000660495799	431460863	/nfs/dbraw/zinc/46/08/63/431460863.db2.gz	LFFVEROTPKOJIK-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC2CC1(C)C2)C(C)C	ZINC000663667021	431491507	/nfs/dbraw/zinc/49/15/07/431491507.db2.gz	CLWTUUUXODWFGO-PQUAAJSLSA-N	0	3	305.466	2.879	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2C[C@@H]2C1)C(C)C	ZINC000663668999	431493670	/nfs/dbraw/zinc/49/36/70/431493670.db2.gz	UTHCPINIECQAJL-BRWVUGGUSA-N	0	3	305.466	2.736	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CCF)C2)CC1	ZINC000660596314	431506707	/nfs/dbraw/zinc/50/67/07/431506707.db2.gz	DPJZVNBXBUAIST-HNNXBMFYSA-N	0	3	311.445	2.808	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1	ZINC000660598451	431509356	/nfs/dbraw/zinc/50/93/56/431509356.db2.gz	YYMHVUCCDHAOBF-YQQAZPJKSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000660798267	431603124	/nfs/dbraw/zinc/60/31/24/431603124.db2.gz	AXKSYHLHQIUVNG-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000660798270	431603278	/nfs/dbraw/zinc/60/32/78/431603278.db2.gz	AXKSYHLHQIUVNG-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000660812156	431610845	/nfs/dbraw/zinc/61/08/45/431610845.db2.gz	LWTBBRMLGHVIBE-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2ccccn2)CC1	ZINC000664015805	431628432	/nfs/dbraw/zinc/62/84/32/431628432.db2.gz	JXYDZMKZOKVBFI-HNNXBMFYSA-N	0	3	316.449	2.525	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc3cc[nH]c3cn2)CC1	ZINC000654135825	431663792	/nfs/dbraw/zinc/66/37/92/431663792.db2.gz	HVSBVXWXQRVTDJ-UHFFFAOYSA-N	0	3	313.405	2.725	20	30		DFEDHN
C=CCCn1cc(CNCCc2cn(C)c3cc(C)ccc23)nn1	ZINC000657442864	431757375	/nfs/dbraw/zinc/75/73/75/431757375.db2.gz	GLGMDJGBRCCGMG-UHFFFAOYSA-N	0	3	323.444	2.987	20	30		DFEDHN
C=CCN(CCC(=O)N1CCCc2ccccc21)[C@@H](C)COC	ZINC000661240865	431789314	/nfs/dbraw/zinc/78/93/14/431789314.db2.gz	SKANPWZRJXTGOE-INIZCTEOSA-N	0	3	316.445	2.879	20	30		DFEDHN
C=CCN(C[C@H](O)COc1cc(C)ccc1C)[C@@H](C)COC	ZINC000661248149	431796368	/nfs/dbraw/zinc/79/63/68/431796368.db2.gz	SFWCLYWOPAWFIP-IRXDYDNUSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCOc1ccccc1CNCCC1(CS(C)(=O)=O)CC1	ZINC000657546611	431806718	/nfs/dbraw/zinc/80/67/18/431806718.db2.gz	XTTVECGPNRHYLR-UHFFFAOYSA-N	0	3	323.458	2.556	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCC#Cc2ccccc2Cl)C1	ZINC000661219090	431783142	/nfs/dbraw/zinc/78/31/42/431783142.db2.gz	MXGNCJRJDBUFIH-NUJGCVRESA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCOc1ccc(CNCCO[C@@H]2CC2(F)F)cc1OC	ZINC000657618466	431826935	/nfs/dbraw/zinc/82/69/35/431826935.db2.gz	UVFJQGHKURUZQE-OAHLLOKOSA-N	0	3	313.344	2.774	20	30		DFEDHN
C=CCOCCCNCc1cnn(-c2ccc(OC)cc2)c1	ZINC000657658881	431834449	/nfs/dbraw/zinc/83/44/49/431834449.db2.gz	IQXGVKHDLFOFBN-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N[C@H]2CCOc3ccccc32)C1	ZINC000661379386	431837141	/nfs/dbraw/zinc/83/71/41/431837141.db2.gz	XSUVPTCSZGSQBX-RDJZCZTQSA-N	0	3	314.429	2.915	20	30		DFEDHN
Cc1nc(N2CCC[C@@H]2CN2CCCC2)c(Cl)cc1C#N	ZINC000360064757	281926182	/nfs/dbraw/zinc/92/61/82/281926182.db2.gz	DWHJSIKVCRJXIL-CQSZACIVSA-N	0	3	304.825	2.980	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCSC2)CC1	ZINC000371944992	290220327	/nfs/dbraw/zinc/22/03/27/290220327.db2.gz	ZMGCMYAPJFUPBZ-RHSMWYFYSA-N	0	3	301.459	2.742	20	30		DFEDHN
COc1cccc(COCCNCc2ccc(C#N)s2)c1	ZINC000158652080	295365726	/nfs/dbraw/zinc/36/57/26/295365726.db2.gz	HGVUTTUFKSPKEM-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
CS[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1N(C)C	ZINC000540296339	301361000	/nfs/dbraw/zinc/36/10/00/301361000.db2.gz	PRNGLHLPPZSOBO-JKSUJKDBSA-N	0	3	312.442	2.588	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000552034463	301677611	/nfs/dbraw/zinc/67/76/11/301677611.db2.gz	WVHDFAZQVKJZKD-XLIONFOSSA-N	0	3	322.408	2.884	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3cc(C#N)ncn3)CC2)CC1	ZINC000555804801	301778151	/nfs/dbraw/zinc/77/81/51/301778151.db2.gz	GFONSNOCRNUBSI-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000565046877	302188591	/nfs/dbraw/zinc/18/85/91/302188591.db2.gz	CJUYWIBXKCPCPW-VCTAVGKDSA-N	0	3	303.362	2.616	20	30		DFEDHN
Cc1csc(NC(=O)N(CCN(C)C)CC(C)C)c1C#N	ZINC000565781925	302241727	/nfs/dbraw/zinc/24/17/27/302241727.db2.gz	ANNIRIDQTMVOIU-UHFFFAOYSA-N	0	3	308.451	2.980	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000566738715	302308475	/nfs/dbraw/zinc/30/84/75/302308475.db2.gz	NVZVGGINZJXVMV-ZDUSSCGKSA-N	0	3	315.808	2.582	20	30		DFEDHN
Cc1csc(NC(=O)NCCN2CCCC[C@@H]2C)c1C#N	ZINC000567911168	302398328	/nfs/dbraw/zinc/39/83/28/302398328.db2.gz	NVEAXKSYKKXGNS-LBPRGKRZSA-N	0	3	306.435	2.924	20	30		DFEDHN
CCC[C@H](C)[C@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000567992099	302407005	/nfs/dbraw/zinc/40/70/05/302407005.db2.gz	INZISTKZDDYXAT-NHYWBVRUSA-N	0	3	323.824	2.537	20	30		DFEDHN
CO[C@]1(C)C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000570047999	302553639	/nfs/dbraw/zinc/55/36/39/302553639.db2.gz	CUDIJJFZMDWJNG-GOEBONIOSA-N	0	3	303.362	2.760	20	30		DFEDHN
COc1cc(CNCc2ccc3cnn(C)c3c2)ccc1C#N	ZINC000571610717	302624693	/nfs/dbraw/zinc/62/46/93/302624693.db2.gz	DYHPPMRKBPBGPQ-UHFFFAOYSA-N	0	3	306.369	2.743	20	30		DFEDHN
C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC2CCC1CC2	ZINC000574088593	302739675	/nfs/dbraw/zinc/73/96/75/302739675.db2.gz	FKJMPMHQXVTEAO-JTUWPYGCSA-N	0	3	311.429	2.889	20	30		DFEDHN
C=CCC(C)(C)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000292612697	335092235	/nfs/dbraw/zinc/09/22/35/335092235.db2.gz	BLBOONTYVFNMBK-UHFFFAOYSA-N	0	3	318.461	2.888	20	30		DFEDHN
C=CCC(F)(F)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000292603269	335092300	/nfs/dbraw/zinc/09/23/00/335092300.db2.gz	GFKAGOFTFXXRNU-UHFFFAOYSA-N	0	3	308.372	2.979	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000068132444	303211740	/nfs/dbraw/zinc/21/17/40/303211740.db2.gz	GUZFCZPANGGKLW-AWEZNQCLSA-N	0	3	303.431	2.710	20	30		DFEDHN
N#Cc1cccc(CNCCc2nnc(-c3ccccc3)o2)c1	ZINC000177387265	315982848	/nfs/dbraw/zinc/98/28/48/315982848.db2.gz	OUDMPDFCNXCZJV-UHFFFAOYSA-N	0	3	304.353	2.941	20	30		DFEDHN
COc1ccc(C(=O)NCCN[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000181921790	316078547	/nfs/dbraw/zinc/07/85/47/316078547.db2.gz	UHKVXLJGJPKXFA-AWEZNQCLSA-N	0	3	323.396	2.647	20	30		DFEDHN
CC(C)(C)CCCNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000313486066	316238706	/nfs/dbraw/zinc/23/87/06/316238706.db2.gz	PMPWBXWRELESCA-UHFFFAOYSA-N	0	3	308.447	2.748	20	30		DFEDHN
N#Cc1ccc(/C=C\C(=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000491560309	317583191	/nfs/dbraw/zinc/58/31/91/317583191.db2.gz	DWZIWBZEPDIBNR-GIFJBRJJSA-N	0	3	309.413	2.658	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3ncccc3F)C1)CC2	ZINC000558497738	317882773	/nfs/dbraw/zinc/88/27/73/317882773.db2.gz	CNEUXHOMXBWMMS-QAPCUYQASA-N	0	3	322.387	2.948	20	30		DFEDHN
COc1ccc([C@H](CNc2cncc(C#N)n2)N2CCCC2)cc1	ZINC000577616675	318205435	/nfs/dbraw/zinc/20/54/35/318205435.db2.gz	XCMSWVLXCILLDT-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@H]3Cc3ccccc3)cnc12	ZINC000580075765	318374014	/nfs/dbraw/zinc/37/40/14/318374014.db2.gz	ZCAOKELBKWFTGG-SFHVURJKSA-N	0	3	317.396	2.808	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000381066713	323292781	/nfs/dbraw/zinc/29/27/81/323292781.db2.gz	NLCUCLKUZGWDMX-STQMWFEESA-N	0	3	303.406	2.950	20	30		DFEDHN
N#Cc1csc(CNC[C@H](c2ccccc2)N2CCCC2)n1	ZINC000386072550	323315467	/nfs/dbraw/zinc/31/54/67/323315467.db2.gz	ZZWDLZLZCLNMKH-MRXNPFEDSA-N	0	3	312.442	2.941	20	30		DFEDHN
CCc1cccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c1	ZINC000390307732	323341058	/nfs/dbraw/zinc/34/10/58/323341058.db2.gz	MSESVHOCAWWHEG-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
CCc1cccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c1	ZINC000390307729	323341330	/nfs/dbraw/zinc/34/13/30/323341330.db2.gz	MSESVHOCAWWHEG-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
Cc1cc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(C#N)cn1	ZINC000399723066	323359934	/nfs/dbraw/zinc/35/99/34/323359934.db2.gz	JBCSKONTBMOSFN-YJBOKZPZSA-N	0	3	306.413	2.759	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCc3occc32)cc1	ZINC000581721104	323563921	/nfs/dbraw/zinc/56/39/21/323563921.db2.gz	FVYMCZQBTPXQEE-RHSMWYFYSA-N	0	3	312.369	2.558	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000248995247	332895430	/nfs/dbraw/zinc/89/54/30/332895430.db2.gz	XXGSOZKLPMFDFR-TXPKVOOTSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1	ZINC000186717766	331469373	/nfs/dbraw/zinc/46/93/73/331469373.db2.gz	INYFZTVVKMJJJB-CMPLNLGQSA-N	0	3	301.333	2.884	20	30		DFEDHN
N#CCCCCNC(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000370758758	331503824	/nfs/dbraw/zinc/50/38/24/331503824.db2.gz	WSIYFQTVIHIIFB-QGZVFWFLSA-N	0	3	314.433	2.644	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cc(COC)on1)C(C)C	ZINC000298606734	331665619	/nfs/dbraw/zinc/66/56/19/331665619.db2.gz	ZPKSSRPGWAFAJP-QGZVFWFLSA-N	0	3	307.438	2.609	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000298677546	331666785	/nfs/dbraw/zinc/66/67/85/331666785.db2.gz	UTPQMMLOIYSOIB-UHFFFAOYSA-N	0	3	317.433	2.511	20	30		DFEDHN
Cc1ccc(Cl)c(OC[C@@H](O)CNCC2(CC#N)CC2)c1	ZINC000516922496	331937988	/nfs/dbraw/zinc/93/79/88/331937988.db2.gz	FENVUFYEIMPKSY-ZDUSSCGKSA-N	0	3	308.809	2.672	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NCCC(=O)N2CCCCC2)C1	ZINC000128912512	332015899	/nfs/dbraw/zinc/01/58/99/332015899.db2.gz	HWCHLLJQWROXEK-UHFFFAOYSA-N	0	3	311.429	2.603	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cccc(C(F)(F)F)c1F	ZINC000293887624	332080861	/nfs/dbraw/zinc/08/08/61/332080861.db2.gz	DFTGBQCPZDXPHK-UHFFFAOYSA-N	0	3	316.298	2.529	20	30		DFEDHN
C=CCCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000518695952	332129913	/nfs/dbraw/zinc/12/99/13/332129913.db2.gz	OEHHIWDFNRLYOX-UHFFFAOYSA-N	0	3	308.466	2.883	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2F)N(CCC(=O)N(C)CCC#N)C1	ZINC000092798052	332131126	/nfs/dbraw/zinc/13/11/26/332131126.db2.gz	JDGSFFOEAGURGX-RHSMWYFYSA-N	0	3	317.408	2.971	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCc1nccs1	ZINC000427088525	332167070	/nfs/dbraw/zinc/16/70/70/332167070.db2.gz	KAVGTTVEWAKFLJ-OAHLLOKOSA-N	0	3	313.426	2.964	20	30		DFEDHN
CN(C)c1cccnc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000427232516	332185720	/nfs/dbraw/zinc/18/57/20/332185720.db2.gz	SZJPFIURTCDGQY-MRXNPFEDSA-N	0	3	322.412	2.536	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc2cc[nH]c2n1	ZINC000427362769	332203612	/nfs/dbraw/zinc/20/36/12/332203612.db2.gz	PFMBKZLFMDOHPL-INIZCTEOSA-N	0	3	318.380	2.952	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc2cc[nH]c2n1	ZINC000427362770	332203636	/nfs/dbraw/zinc/20/36/36/332203636.db2.gz	PFMBKZLFMDOHPL-MRXNPFEDSA-N	0	3	318.380	2.952	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCC(F)(F)F)C(C)C	ZINC000119703352	332277337	/nfs/dbraw/zinc/27/73/37/332277337.db2.gz	XQEWGCBKWOLFSX-GFCCVEGCSA-N	0	3	307.360	2.547	20	30		DFEDHN
C=CCOc1ccccc1CNc1ccn(CCN(C)C)n1	ZINC000119758904	332285385	/nfs/dbraw/zinc/28/53/85/332285385.db2.gz	PQAYNTLHMJNKLP-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
C=CCOc1cccc(CNc2ccn(CCN(C)C)n2)c1	ZINC000119823402	332307658	/nfs/dbraw/zinc/30/76/58/332307658.db2.gz	MSPWKYDSPQFQOW-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1	ZINC000112528227	332314164	/nfs/dbraw/zinc/31/41/64/332314164.db2.gz	FRMONRHASFOLHM-HUUCEWRRSA-N	0	3	317.433	2.885	20	30		DFEDHN
CC(C)Oc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000112530029	332314169	/nfs/dbraw/zinc/31/41/69/332314169.db2.gz	IHPDMBZHUYAZBJ-LSDHHAIUSA-N	0	3	317.433	2.885	20	30		DFEDHN
CCN(CC)c1ccc(/C=N/[C@H]2CCN(C(C)C)C2=O)c(O)c1	ZINC000114630832	332328348	/nfs/dbraw/zinc/32/83/48/332328348.db2.gz	WYQOJFRRGSHIOT-QUYZQLMHSA-N	0	3	317.433	2.667	20	30		DFEDHN
C=C(C)COCCNC(=O)c1oc2ccccc2c1CN(C)C	ZINC000152887167	332330715	/nfs/dbraw/zinc/33/07/15/332330715.db2.gz	BNAJEUDXJFXXFP-UHFFFAOYSA-N	0	3	316.401	2.817	20	30		DFEDHN
C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000115552711	332333317	/nfs/dbraw/zinc/33/33/17/332333317.db2.gz	AFQFBOHGJHFUIP-FUHWJXTLSA-N	0	3	324.428	2.520	20	30		DFEDHN
CCN(CCC#N)C(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000566372110	332383962	/nfs/dbraw/zinc/38/39/62/332383962.db2.gz	LKRAIKVYDTXPLA-BETUJISGSA-N	0	3	319.371	2.801	20	30		DFEDHN
CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(OC)cc1	ZINC000124174243	332433020	/nfs/dbraw/zinc/43/30/20/332433020.db2.gz	LOZROPLATVZSOX-SJLPKXTDSA-N	0	3	315.417	2.544	20	30		DFEDHN
C=CCOCCN1CCC(C(=O)c2ccc(OC)cc2)CC1	ZINC000293556690	335108772	/nfs/dbraw/zinc/10/87/72/335108772.db2.gz	RQYAKNAIRMIGFU-UHFFFAOYSA-N	0	3	303.402	2.793	20	30		DFEDHN
CCc1ccc([C@H](C)NCC(=O)N(CCC#N)CCC#N)cc1	ZINC000126661087	332463631	/nfs/dbraw/zinc/46/36/31/332463631.db2.gz	KAAWIVWOQDBEKY-HNNXBMFYSA-N	0	3	312.417	2.556	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)C1(C#N)CC(C)C1)c1ccco1	ZINC000561611357	332469786	/nfs/dbraw/zinc/46/97/86/332469786.db2.gz	XKINTHKKXXWDRA-CWVKQELPSA-N	0	3	303.406	2.765	20	30		DFEDHN
[O-]c1ccccc1/C=N/C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1	ZINC000128476612	332498592	/nfs/dbraw/zinc/49/85/92/332498592.db2.gz	IEJLZWQBMDNEKH-STBIIMGESA-N	0	3	302.418	2.579	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2sc(CCC)nc2C)CC1	ZINC000491036825	332950675	/nfs/dbraw/zinc/95/06/75/332950675.db2.gz	BBYDOPYMGHRDKU-UHFFFAOYSA-N	0	3	305.447	2.688	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CSc1ccccc1Cl	ZINC000293924934	335115638	/nfs/dbraw/zinc/11/56/38/335115638.db2.gz	HGGCDSYCOZWAFO-UHFFFAOYSA-N	0	3	310.850	2.503	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CN[C@@H]1CCCOC1	ZINC000109544993	333018798	/nfs/dbraw/zinc/01/87/98/333018798.db2.gz	WQUFKRDFZOIPKZ-CQSZACIVSA-N	0	3	324.218	2.730	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CN[C@H]1CCCOC1	ZINC000109544998	333018874	/nfs/dbraw/zinc/01/88/74/333018874.db2.gz	WQUFKRDFZOIPKZ-AWEZNQCLSA-N	0	3	324.218	2.730	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000466443917	333021128	/nfs/dbraw/zinc/02/11/28/333021128.db2.gz	OFGXJBANPCHASV-HNNXBMFYSA-N	0	3	300.446	2.804	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000294033695	335116780	/nfs/dbraw/zinc/11/67/80/335116780.db2.gz	IECLWCASXJYFOL-LLVKDONJSA-N	0	3	303.328	2.811	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(N)=O)o2)c([O-])c1	ZINC000178298635	333136969	/nfs/dbraw/zinc/13/69/69/333136969.db2.gz	IVCAVGWGNMIESI-VXLYETTFSA-N	0	3	315.373	2.549	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181539669	333169917	/nfs/dbraw/zinc/16/99/17/333169917.db2.gz	UCLQXGKRJSUWHG-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCN(C)C	ZINC000181593257	333170464	/nfs/dbraw/zinc/17/04/64/333170464.db2.gz	GFEQAHKAGXRCOV-LBPRGKRZSA-N	0	3	306.435	2.764	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](C)C(C)(C)c1ccccc1	ZINC000181770897	333172364	/nfs/dbraw/zinc/17/23/64/333172364.db2.gz	STYRYCJONZKDLV-OAHLLOKOSA-N	0	3	301.434	2.704	20	30		DFEDHN
CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(OC)cc1	ZINC000181815801	333172498	/nfs/dbraw/zinc/17/24/98/333172498.db2.gz	KWFDCYYUACYCMY-WMLDXEAASA-N	0	3	317.433	2.744	20	30		DFEDHN
C[C@H](NCCC(=O)N(C)CCC#N)c1ccc2c(c1)CCCC2	ZINC000181937941	333173690	/nfs/dbraw/zinc/17/36/90/333173690.db2.gz	SDVBUCHPKBCKIE-HNNXBMFYSA-N	0	3	313.445	2.978	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](N2CCCCC2)C1	ZINC000108376422	333176685	/nfs/dbraw/zinc/17/66/85/333176685.db2.gz	PQJOAQJIFCVDJE-ROUUACIJSA-N	0	3	319.493	2.526	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C)c1C	ZINC000183715715	333187277	/nfs/dbraw/zinc/18/72/77/333187277.db2.gz	GRFDQPNZSOICDU-CZUORRHYSA-N	0	3	301.434	2.962	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C	ZINC000294753145	335127247	/nfs/dbraw/zinc/12/72/47/335127247.db2.gz	XUTJAENHYKQTEP-ISTRZQFTSA-N	0	3	304.821	2.766	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CCOCC3(CCC3)C2)cc1	ZINC000363915574	333201215	/nfs/dbraw/zinc/20/12/15/333201215.db2.gz	ADQDTFXXCFIFNZ-HNNXBMFYSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cc1cc(C(=O)CON=C(N)C(C)C)c(C)n1Cc1ccco1	ZINC000185454092	333208850	/nfs/dbraw/zinc/20/88/50/333208850.db2.gz	XFDGPBVUYDFZGQ-UHFFFAOYSA-N	0	3	317.389	2.874	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccccc2CN2CCCC2=O)C1	ZINC000185774784	333213754	/nfs/dbraw/zinc/21/37/54/333213754.db2.gz	VINNOEITJJKQNC-QAPCUYQASA-N	0	3	311.429	2.981	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1	ZINC000185782731	333214136	/nfs/dbraw/zinc/21/41/36/333214136.db2.gz	BSZNJZNOCDYIGL-IAGOWNOFSA-N	0	3	320.458	2.663	20	30		DFEDHN
C#C[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000185329969	335128190	/nfs/dbraw/zinc/12/81/90/335128190.db2.gz	YIYZIVHLCUOLPU-CZUORRHYSA-N	0	3	324.346	2.579	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000185334948	335128213	/nfs/dbraw/zinc/12/82/13/335128213.db2.gz	AATBROVEMQSTOL-HNNXBMFYSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000364063365	333230736	/nfs/dbraw/zinc/23/07/36/333230736.db2.gz	HOIZXZLOKWBBAZ-MWDXBVQZSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCc1cc(CN[C@H](CC)[C@H](O)C(F)F)cc(OC)c1O	ZINC000294927297	335128812	/nfs/dbraw/zinc/12/88/12/335128812.db2.gz	BITXOMQTUZLSEU-DOMZBBRYSA-N	0	3	315.360	2.624	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CCC1	ZINC000188028587	333240480	/nfs/dbraw/zinc/24/04/80/333240480.db2.gz	XZUNFTJVCUBEKO-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NC1CCN(CCc2ccncc2)CC1	ZINC000364306572	333285029	/nfs/dbraw/zinc/28/50/29/333285029.db2.gz	HOCNCLBCDJYVDK-INIZCTEOSA-N	0	3	315.461	2.807	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000364310361	333285208	/nfs/dbraw/zinc/28/52/08/333285208.db2.gz	WGRNVWCBCONASO-UHFFFAOYSA-N	0	3	304.459	2.878	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1	ZINC000295136934	335132549	/nfs/dbraw/zinc/13/25/49/335132549.db2.gz	DDZVPLREJGSLAZ-QGZVFWFLSA-N	0	3	314.429	2.691	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000364427927	333313553	/nfs/dbraw/zinc/31/35/53/333313553.db2.gz	LIAVMBQVLUTXMA-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](c1cccnc1)C1CCCCC1	ZINC000364518171	333324172	/nfs/dbraw/zinc/32/41/72/333324172.db2.gz	DNOBGHGHJCPFFC-RHSMWYFYSA-N	0	3	301.434	2.983	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1	ZINC000295409256	335134111	/nfs/dbraw/zinc/13/41/11/335134111.db2.gz	SGOWSNGCFUYSFM-HNNXBMFYSA-N	0	3	314.429	2.808	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC000364952510	333333366	/nfs/dbraw/zinc/33/33/66/333333366.db2.gz	CYFLYWISKPPQBK-LXZKKBNFSA-N	0	3	311.429	2.574	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCOC1(C)C	ZINC000295242800	335134305	/nfs/dbraw/zinc/13/43/05/335134305.db2.gz	PNKLXEZNWKVSJR-DZGCQCFKSA-N	0	3	322.474	2.808	20	30		DFEDHN
N#CC1(C(=O)NC2CCN(Cc3cccs3)CC2)CCC1	ZINC000365238387	333399711	/nfs/dbraw/zinc/39/97/11/333399711.db2.gz	OYNXWIYDTLKRDV-UHFFFAOYSA-N	0	3	303.431	2.523	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1	ZINC000488883107	333461122	/nfs/dbraw/zinc/46/11/22/333461122.db2.gz	RBNNTMFUPBRIMP-MRXNPFEDSA-N	0	3	306.450	2.589	20	30		DFEDHN
CC1CCN(CCN2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1	ZINC000366071659	333491191	/nfs/dbraw/zinc/49/11/91/333491191.db2.gz	FLMBVJJXWZUILX-QZTJIDSGSA-N	0	3	305.466	2.646	20	30		DFEDHN
CN(C)C[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1	ZINC000563259402	333514390	/nfs/dbraw/zinc/51/43/90/333514390.db2.gz	COVIABUHIVLZFS-CQSZACIVSA-N	0	3	307.825	2.795	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2CCC[C@@H]2F)c(-c2ccncc2)n1	ZINC000339587256	333528858	/nfs/dbraw/zinc/52/88/58/333528858.db2.gz	ONXFUDDEPBEVLR-JKSUJKDBSA-N	0	3	313.380	2.839	20	30		DFEDHN
CC#CCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000185919796	335154887	/nfs/dbraw/zinc/15/48/87/335154887.db2.gz	SPAAGOVFXCXPLF-MRXNPFEDSA-N	0	3	313.445	2.917	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000297224955	335152016	/nfs/dbraw/zinc/15/20/16/335152016.db2.gz	FLSXSJMCAGOVIF-INIZCTEOSA-N	0	3	319.474	2.676	20	30		DFEDHN
OCC1(NCC#Cc2ccc(F)cc2)C2CC3CC(C2)CC1C3	ZINC000412002018	333718699	/nfs/dbraw/zinc/71/86/99/333718699.db2.gz	JJWHTCFYVGDGQH-UHFFFAOYSA-N	0	3	313.416	2.954	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000413814613	333874913	/nfs/dbraw/zinc/87/49/13/333874913.db2.gz	FPPYYSKOHZIMKV-DLBZAZTESA-N	0	3	301.434	2.519	20	30		DFEDHN
Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC(C)(C)CC#N	ZINC000414159381	333914702	/nfs/dbraw/zinc/91/47/02/333914702.db2.gz	BHYLMBSAWSEEBX-ZDUSSCGKSA-N	0	3	323.462	2.541	20	30		DFEDHN
CCS(=O)(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1	ZINC000343465402	335167046	/nfs/dbraw/zinc/16/70/46/335167046.db2.gz	PKZKYIPPOQASND-HIFRSBDPSA-N	0	3	306.431	2.652	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1CC(F)F	ZINC000343470009	335167607	/nfs/dbraw/zinc/16/76/07/335167607.db2.gz	XQWCBRPUSBQPGU-CABCVRRESA-N	0	3	322.355	2.642	20	30		DFEDHN
CCCCCCCC(=O)Nc1ccc(=O)n(CCN(C)C)c1	ZINC000270081483	334007387	/nfs/dbraw/zinc/00/73/87/334007387.db2.gz	ISEPWISZQQWWJH-UHFFFAOYSA-N	0	3	307.438	2.709	20	30		DFEDHN
COc1ccc(CN2CCC(CO)CC2)cc1OCCCC#N	ZINC000271021458	334017331	/nfs/dbraw/zinc/01/73/31/334017331.db2.gz	AZJIQZYNFGLEOW-UHFFFAOYSA-N	0	3	318.417	2.582	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1OC	ZINC000414563119	334020555	/nfs/dbraw/zinc/02/05/55/334020555.db2.gz	CSRMMLHTADHSOQ-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
CN1CC=C(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000271906688	334028578	/nfs/dbraw/zinc/02/85/78/334028578.db2.gz	PQJDRJFHKXEBJD-KRWDZBQOSA-N	0	3	312.417	2.593	20	30		DFEDHN
C[C@@H](NCCC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000272004765	334029615	/nfs/dbraw/zinc/02/96/15/334029615.db2.gz	IUMOMYFFLRGCLA-CYBMUJFWSA-N	0	3	323.462	2.527	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1	ZINC000274670478	334065021	/nfs/dbraw/zinc/06/50/21/334065021.db2.gz	XTPUUVUBVORFEX-GUTXKFCHSA-N	0	3	306.431	2.823	20	30		DFEDHN
CCC(C)(C)N[C@@H](C)C(=O)Nc1ncccc1OCCCC#N	ZINC000274855439	334067268	/nfs/dbraw/zinc/06/72/68/334067268.db2.gz	IQMNOQQHQUYZIM-ZDUSSCGKSA-N	0	3	318.421	2.869	20	30		DFEDHN
CCCC(=O)NC[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000343532281	335175476	/nfs/dbraw/zinc/17/54/76/335175476.db2.gz	PLKLZNZTIXAJGA-GOSISDBHSA-N	0	3	313.445	2.881	20	30		DFEDHN
CCn1cnnc1C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000343534095	335175776	/nfs/dbraw/zinc/17/57/76/335175776.db2.gz	QEFFOCQCNODMMI-UHFFFAOYSA-N	0	3	309.417	2.744	20	30		DFEDHN
CN1C(=O)C[C@@H](NCCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1	ZINC000276957557	334085734	/nfs/dbraw/zinc/08/57/34/334085734.db2.gz	PNCWLFZQCDDECC-GDBMZVCRSA-N	0	3	321.371	2.766	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC(C)(C)C#N	ZINC000278359881	334095453	/nfs/dbraw/zinc/09/54/53/334095453.db2.gz	NYJIPRKQYJQUEW-UHFFFAOYSA-N	0	3	305.397	2.656	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(NC(=O)Nc3ccccc3)CC2)C1	ZINC000278683339	334099662	/nfs/dbraw/zinc/09/96/62/334099662.db2.gz	RSTWFPVCZMHKBD-YOEHRIQHSA-N	0	3	312.417	2.965	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CNCCC2(F)F)cc1	ZINC000414823929	334108758	/nfs/dbraw/zinc/10/87/58/334108758.db2.gz	JEJATCIFRNJGJM-ZDUSSCGKSA-N	0	3	322.359	2.606	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038906	334113904	/nfs/dbraw/zinc/11/39/04/334113904.db2.gz	GOXLFZPHFFKEEG-WMLDXEAASA-N	0	3	311.429	2.796	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)C1=CCN(C)CC1	ZINC000281280730	334124744	/nfs/dbraw/zinc/12/47/44/334124744.db2.gz	RXFVHKFAYJXPKG-CQSZACIVSA-N	0	3	311.429	2.868	20	30		DFEDHN
COc1ccc(CNCCC2(O)CCC2)cc1OCCCC#N	ZINC000284199537	334142781	/nfs/dbraw/zinc/14/27/81/334142781.db2.gz	YWBLXYYCPBRDCO-UHFFFAOYSA-N	0	3	318.417	2.772	20	30		DFEDHN
CN(CCCCC#N)C[C@@H]1OCCN(C)[C@H]1c1ccccc1	ZINC000284590698	334143927	/nfs/dbraw/zinc/14/39/27/334143927.db2.gz	AYNNGZCESCLVII-ROUUACIJSA-N	0	3	301.434	2.684	20	30		DFEDHN
CN(CCC#N)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285099198	334145609	/nfs/dbraw/zinc/14/56/09/334145609.db2.gz	LRTAYGCSCIIRMK-OAHLLOKOSA-N	0	3	321.371	2.516	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000285811206	334150169	/nfs/dbraw/zinc/15/01/69/334150169.db2.gz	QPHDXUUEGFQDKU-KSSFIOAISA-N	0	3	314.433	2.663	20	30		DFEDHN
CCN1CCN(c2cccc(NC(=O)[C@@](C)(C#N)CC)c2)CC1	ZINC000286100320	334151086	/nfs/dbraw/zinc/15/10/86/334151086.db2.gz	OPPVJWLOMNAJAL-GOSISDBHSA-N	0	3	314.433	2.707	20	30		DFEDHN
CCN1CCN(c2cccc(NC(=O)[C@](C)(C#N)CC)c2)CC1	ZINC000286100332	334151110	/nfs/dbraw/zinc/15/11/10/334151110.db2.gz	OPPVJWLOMNAJAL-SFHVURJKSA-N	0	3	314.433	2.707	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000287915053	334158939	/nfs/dbraw/zinc/15/89/39/334158939.db2.gz	VSNPTLLQXWLGSS-LJQANCHMSA-N	0	3	323.396	2.775	20	30		DFEDHN
COC[C@]1(CN[C@H]2CCC[C@H](C#N)C2)OCCc2ccccc21	ZINC000289745284	334167462	/nfs/dbraw/zinc/16/74/62/334167462.db2.gz	KVVXWJDBFHBFLF-IEZWGBDMSA-N	0	3	314.429	2.773	20	30		DFEDHN
CC[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)OC	ZINC000289797545	334167947	/nfs/dbraw/zinc/16/79/47/334167947.db2.gz	LWYYKMBLIXFBFE-KRWDZBQOSA-N	0	3	312.417	2.978	20	30		DFEDHN
Cc1ccccc1-n1cc(CNCC2CCC(C#N)CC2)nn1	ZINC000290079689	334170934	/nfs/dbraw/zinc/17/09/34/334170934.db2.gz	ITKGAPYJYWCXAX-UHFFFAOYSA-N	0	3	309.417	2.995	20	30		DFEDHN
CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1C1CC1	ZINC000290777051	334174753	/nfs/dbraw/zinc/17/47/53/334174753.db2.gz	MICVUCPMTYZYKB-FUHWJXTLSA-N	0	3	314.429	2.613	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1	ZINC000291768529	334181667	/nfs/dbraw/zinc/18/16/67/334181667.db2.gz	LOEKGWBDAXKVIJ-FQEVSTJZSA-N	0	3	322.408	2.725	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)C1	ZINC000292787861	334192386	/nfs/dbraw/zinc/19/23/86/334192386.db2.gz	LGYKQKUCOLNVAC-UHOFOFEASA-N	0	3	316.380	2.714	20	30		DFEDHN
C=C(C)COc1cc(CNCCn2cccn2)ccc1OC	ZINC000340429980	334198973	/nfs/dbraw/zinc/19/89/73/334198973.db2.gz	ZLBMDBBPKWNUQC-UHFFFAOYSA-N	0	3	301.390	2.636	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	ZINC000293828008	334202525	/nfs/dbraw/zinc/20/25/25/334202525.db2.gz	PNJXQFUHTOUVJH-SJORKVTESA-N	0	3	306.381	2.644	20	30		DFEDHN
C=CCN(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1	ZINC000293930346	334203480	/nfs/dbraw/zinc/20/34/80/334203480.db2.gz	TZQUVDSDQDLHPC-UHFFFAOYSA-N	0	3	311.429	2.827	20	30		DFEDHN
N#CCCOCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1	ZINC000294106533	334205725	/nfs/dbraw/zinc/20/57/25/334205725.db2.gz	MTDFIXHGSTZKHB-GJZGRUSLSA-N	0	3	312.772	2.829	20	30		DFEDHN
COc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(OC)c1OC	ZINC000295003650	334215572	/nfs/dbraw/zinc/21/55/72/334215572.db2.gz	ISTKLDCCLJHESD-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)[C@@H]1SC	ZINC000298231673	334247306	/nfs/dbraw/zinc/24/73/06/334247306.db2.gz	BHRLJYANKSKMRI-OAGGEKHMSA-N	0	3	306.431	2.588	20	30		DFEDHN
C[C@@H](CCC#N)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1	ZINC000298591380	334250032	/nfs/dbraw/zinc/25/00/32/334250032.db2.gz	RSVVRDCMHGBAEE-SZMVWBNQSA-N	0	3	301.434	2.682	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N1[C@H](C)CC[C@H]1C	ZINC000298896058	334251918	/nfs/dbraw/zinc/25/19/18/334251918.db2.gz	NADJAIPJSFXGGV-OAGGEKHMSA-N	0	3	314.433	2.585	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(CC#N)c1	ZINC000298940592	334252083	/nfs/dbraw/zinc/25/20/83/334252083.db2.gz	IOOINZZMFFCFIM-IBGZPJMESA-N	0	3	321.424	2.655	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1	ZINC000353640606	334349807	/nfs/dbraw/zinc/34/98/07/334349807.db2.gz	BALHMSBIZGRHDX-DGCLKSJQSA-N	0	3	321.218	3.000	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1	ZINC000111799898	334358818	/nfs/dbraw/zinc/35/88/18/334358818.db2.gz	TVGUGRVLNAARGV-SFHVURJKSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(F)ccc1Br	ZINC000341326219	334430160	/nfs/dbraw/zinc/43/01/60/334430160.db2.gz	WOXSRWURONLYKC-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
N#CCCCn1cc(C(=O)NCCN2CCCC2)c2ccccc21	ZINC000443920529	338463484	/nfs/dbraw/zinc/46/34/84/338463484.db2.gz	LKQAATBZBIKEQF-UHFFFAOYSA-N	0	3	324.428	2.771	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nccs1	ZINC000328843923	334759623	/nfs/dbraw/zinc/75/96/23/334759623.db2.gz	QVVHWGDVJKLJHA-MKPLZMMCSA-N	0	3	308.407	2.607	20	30		DFEDHN
CC1CCN(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000330986603	334828602	/nfs/dbraw/zinc/82/86/02/334828602.db2.gz	RBQRORIEZCNRCI-UHFFFAOYSA-N	0	3	324.356	2.792	20	30		DFEDHN
CC(C)([C@@H](NC(=O)CC#N)c1ccc(F)c(F)c1)N1CCCC1	ZINC000331111837	334836608	/nfs/dbraw/zinc/83/66/08/334836608.db2.gz	LLPJBFLTSYZSMR-INIZCTEOSA-N	0	3	321.371	2.910	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000334006074	334867647	/nfs/dbraw/zinc/86/76/47/334867647.db2.gz	WTBRCPVHTLQGEB-DLBZAZTESA-N	0	3	323.481	2.530	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1	ZINC000343652916	335185317	/nfs/dbraw/zinc/18/53/17/335185317.db2.gz	HAQNUQLAJFKHLR-OAHLLOKOSA-N	0	3	317.458	2.906	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1N(C)C	ZINC000343658768	335185923	/nfs/dbraw/zinc/18/59/23/335185923.db2.gz	JYLNXBCTHMYFOD-HZPDHXFCSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000343830332	335200055	/nfs/dbraw/zinc/20/00/55/335200055.db2.gz	MJOYBSZLNYOVDP-GDBMZVCRSA-N	0	3	317.433	2.533	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCCC#N	ZINC000343986885	335205819	/nfs/dbraw/zinc/20/58/19/335205819.db2.gz	GJLVFWKTGNEODW-UHFFFAOYSA-N	0	3	302.422	2.583	20	30		DFEDHN
C=CCCOCCCCC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000344622687	335264690	/nfs/dbraw/zinc/26/46/90/335264690.db2.gz	AJYSPHJPVYNCNN-MRXNPFEDSA-N	0	3	310.482	2.986	20	30		DFEDHN
C#CCCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000366893973	335314966	/nfs/dbraw/zinc/31/49/66/335314966.db2.gz	DAXBJXGTPMZKSK-UHFFFAOYSA-N	0	3	305.809	2.903	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(OC(C)(C)C)CC2)CC1	ZINC000345383534	335322275	/nfs/dbraw/zinc/32/22/75/335322275.db2.gz	NRLQJOOOVATZDX-UHFFFAOYSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C)C(C)C	ZINC000345478969	335328504	/nfs/dbraw/zinc/32/85/04/335328504.db2.gz	LCUOSIDGYIJMDU-LZLYRXPVSA-N	0	3	323.481	2.552	20	30		DFEDHN
CC(C)N1C(=O)N[C@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21	ZINC000345557075	335334589	/nfs/dbraw/zinc/33/45/89/335334589.db2.gz	ODASOMCDPKCFCN-LSDHHAIUSA-N	0	3	306.454	2.583	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1	ZINC000345756770	335348469	/nfs/dbraw/zinc/34/84/69/335348469.db2.gz	IMZPOGOPEAKTGO-LBPRGKRZSA-N	0	3	306.793	2.664	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1	ZINC000345793670	335351632	/nfs/dbraw/zinc/35/16/32/335351632.db2.gz	DJQLWCCCZVVINK-OCCSQVGLSA-N	0	3	310.357	2.950	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2noc3c2C[C@@H](C)CC3)CC1	ZINC000345857355	335355997	/nfs/dbraw/zinc/35/59/97/335355997.db2.gz	NFVZHBJPFDRCCT-ZDUSSCGKSA-N	0	3	317.433	2.570	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C2)C1	ZINC000346319804	335399814	/nfs/dbraw/zinc/39/98/14/335399814.db2.gz	KWLQDISNYISFGD-IEBWSBKVSA-N	0	3	311.429	2.628	20	30		DFEDHN
C=CCN1CCC(Nc2nc(C)cc(C(F)(F)F)n2)CC1	ZINC000347411216	335498885	/nfs/dbraw/zinc/49/88/85/335498885.db2.gz	ICOLIIWFFAJJQE-UHFFFAOYSA-N	0	3	300.328	2.866	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H]([C@@H](C)CC)C1=O)C(C)C	ZINC000348139210	335556345	/nfs/dbraw/zinc/55/63/45/335556345.db2.gz	BOMXJWDAOSDBGC-XHSDSOJGSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C	ZINC000348537746	335595104	/nfs/dbraw/zinc/59/51/04/335595104.db2.gz	YALRFBOOAJHGBB-KHYOSLBOSA-N	0	3	314.429	2.730	20	30		DFEDHN
C=C(C)COCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000417892436	335776430	/nfs/dbraw/zinc/77/64/30/335776430.db2.gz	QUWQUNDFBDNXJI-QGZVFWFLSA-N	0	3	319.449	2.702	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2OCCC)CC1	ZINC000108933288	335849135	/nfs/dbraw/zinc/84/91/35/335849135.db2.gz	HMYNLNIKJPTQGK-UHFFFAOYSA-N	0	3	300.402	2.759	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc2c1OCO2	ZINC000329229291	335953246	/nfs/dbraw/zinc/95/32/46/335953246.db2.gz	CMIIMLKGLGZNDA-CHWSQXEVSA-N	0	3	317.389	2.519	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1C	ZINC000329258031	335956505	/nfs/dbraw/zinc/95/65/05/335956505.db2.gz	YGCAHTCYYJPTGL-DOMZBBRYSA-N	0	3	319.453	2.624	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1c(Cl)cccc1Cl	ZINC000583626834	335999644	/nfs/dbraw/zinc/99/96/44/335999644.db2.gz	NFUQSQTVCSATND-JTQLQIEISA-N	0	3	303.189	2.626	20	30		DFEDHN
CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1	ZINC000329604113	336003674	/nfs/dbraw/zinc/00/36/74/336003674.db2.gz	LPXRLZPMZNLDQQ-YNEHKIRRSA-N	0	3	322.478	2.835	20	30		DFEDHN
CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1	ZINC000329604113	336003676	/nfs/dbraw/zinc/00/36/76/336003676.db2.gz	LPXRLZPMZNLDQQ-YNEHKIRRSA-N	0	3	322.478	2.835	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1	ZINC000351027309	336005463	/nfs/dbraw/zinc/00/54/63/336005463.db2.gz	KFABTVLXMWBZBN-UHFFFAOYSA-N	0	3	311.429	2.701	20	30		DFEDHN
Cc1cccc2c1CN(C([O-])=[NH+][C@@H]1CCc3nc[nH]c3C1)CC2	ZINC000329618990	336011168	/nfs/dbraw/zinc/01/11/68/336011168.db2.gz	QSMZGMFDINMYRN-CQSZACIVSA-N	0	3	310.401	2.548	20	30		DFEDHN
Cc1cccc2c1CN(C([O-])=[NH+][C@@H]1CCc3[nH]cnc3C1)CC2	ZINC000329618990	336011170	/nfs/dbraw/zinc/01/11/70/336011170.db2.gz	QSMZGMFDINMYRN-CQSZACIVSA-N	0	3	310.401	2.548	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000351071784	336011671	/nfs/dbraw/zinc/01/16/71/336011671.db2.gz	FPUROCLTWOIVDC-GJZGRUSLSA-N	0	3	305.470	2.582	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000351116205	336015293	/nfs/dbraw/zinc/01/52/93/336015293.db2.gz	NTZDFDKUOWTOMY-CABCVRRESA-N	0	3	305.470	2.726	20	30		DFEDHN
C=C(C)CCN(C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000351856676	336074061	/nfs/dbraw/zinc/07/40/61/336074061.db2.gz	RYEGBSBERQVPRU-UHFFFAOYSA-N	0	3	311.447	2.757	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@H]1COc2c1ccc(C)c2C	ZINC000329805738	336084296	/nfs/dbraw/zinc/08/42/96/336084296.db2.gz	NGVFNKZIHSRKAU-ZBFHGGJFSA-N	0	3	317.433	2.725	20	30		DFEDHN
CC(C)c1noc(CCC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1	ZINC000329810103	336084741	/nfs/dbraw/zinc/08/47/41/336084741.db2.gz	BHQIADJPPDBJOD-WCQYABFASA-N	0	3	306.410	2.565	20	30		DFEDHN
Cc1csc([C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C2CC2)n1	ZINC000329815593	336085161	/nfs/dbraw/zinc/08/51/61/336085161.db2.gz	VIADAXYDCXQDRW-TZMCWYRMSA-N	0	3	320.462	2.643	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccccc2Cn2cccn2)CCN1C	ZINC000329870868	336091084	/nfs/dbraw/zinc/09/10/84/336091084.db2.gz	AIDCZKBVDAUSQB-GDBMZVCRSA-N	0	3	312.417	2.719	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)N1CCCCC1=O	ZINC000329892127	336092898	/nfs/dbraw/zinc/09/28/98/336092898.db2.gz	AAZWJWFTPLHKTD-HUUCEWRRSA-N	0	3	309.454	2.608	20	30		DFEDHN
CCCN1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000329893789	336093034	/nfs/dbraw/zinc/09/30/34/336093034.db2.gz	AYGAFUZFSDLCNH-UHFFFAOYSA-N	0	3	321.421	2.748	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1	ZINC000329894449	336093071	/nfs/dbraw/zinc/09/30/71/336093071.db2.gz	BIQUSIFTWJQBLE-CWRNSKLLSA-N	0	3	316.449	2.918	20	30		DFEDHN
Cc1c(C(=O)NCC2(N(C)C)CCC2)nnn1CC1CCCC1	ZINC000329907106	336094179	/nfs/dbraw/zinc/09/41/79/336094179.db2.gz	SRBIQBUMYKMVDY-UHFFFAOYSA-N	0	3	319.453	2.566	20	30		DFEDHN
C[C@@H]1CCC[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)CC1	ZINC000329907256	336094358	/nfs/dbraw/zinc/09/43/58/336094358.db2.gz	KTDHDPOVXQVDBB-KFWWJZLASA-N	0	3	304.438	2.918	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000329923802	336095910	/nfs/dbraw/zinc/09/59/10/336095910.db2.gz	URJWYWLYCNBBJZ-UMVBOHGHSA-N	0	3	301.365	2.603	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)NCCN1CCC[C@H](C)C1	ZINC000330011277	336105737	/nfs/dbraw/zinc/10/57/37/336105737.db2.gz	ISLUERKEVKAEHQ-LBPRGKRZSA-N	0	3	305.422	2.972	20	30		DFEDHN
CC(C(=O)N[C@H]1CC[C@H](C)CC1)S(=O)(=O)C1CCOCC1	ZINC000330041420	336108747	/nfs/dbraw/zinc/10/87/47/336108747.db2.gz	GDUGJXJTHYONHJ-JHJVBQTASA-N	0	3	317.451	2.504	20	30		DFEDHN
CCN1CCC(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1	ZINC000330107167	336114078	/nfs/dbraw/zinc/11/40/78/336114078.db2.gz	LVMGVENVPMXMPI-INIZCTEOSA-N	0	3	323.481	2.856	20	30		DFEDHN
C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H](c2nc[nH]n2)C1	ZINC000330124640	336115848	/nfs/dbraw/zinc/11/58/48/336115848.db2.gz	ICPVGODTCRQYIM-GQKFXUNGSA-N	0	3	319.453	2.908	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnn2C2CCCC2)nc(C)n1	ZINC000330142051	336117342	/nfs/dbraw/zinc/11/73/42/336117342.db2.gz	XZLRVSKYPWZPBQ-AWEZNQCLSA-N	0	3	309.373	2.895	20	30		DFEDHN
C[C@]1(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCc2ccccc21	ZINC000330241759	336128886	/nfs/dbraw/zinc/12/88/86/336128886.db2.gz	BWVHGDGOCBHFAX-BEFAXECRSA-N	0	3	324.428	2.953	20	30		DFEDHN
CC(C)[C@@H](CC(F)(F)F)NCC(=O)N[C@](C)(C#N)C(C)C	ZINC000445897176	338514793	/nfs/dbraw/zinc/51/47/93/338514793.db2.gz	MWCUPCXXOCAXRV-DGCLKSJQSA-N	0	3	307.360	2.607	20	30		DFEDHN
Cc1ccc(CNC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)cc1	ZINC000330273831	336132370	/nfs/dbraw/zinc/13/23/70/336132370.db2.gz	ZTSQXLDZTAWGRX-XKQJLSEDSA-N	0	3	302.418	2.997	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1	ZINC000331870040	336151132	/nfs/dbraw/zinc/15/11/32/336151132.db2.gz	UNLIERKUMBUOGR-JKQORVJESA-N	0	3	302.422	2.966	20	30		DFEDHN
C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1CCCCCC1	ZINC000331983715	336154964	/nfs/dbraw/zinc/15/49/64/336154964.db2.gz	LNNZMOBIVMGXKE-XJKSGUPXSA-N	0	3	303.381	2.771	20	30		DFEDHN
O=C(N[C@@H]1CCn2ccnc2C1)[C@H]1CCCN1C1CCCC1	ZINC000330324359	336158435	/nfs/dbraw/zinc/15/84/35/336158435.db2.gz	UDJHRSXUDDXISM-UKRRQHHQSA-N	0	3	302.422	2.561	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000332318731	336168196	/nfs/dbraw/zinc/16/81/96/336168196.db2.gz	VKJLEJONOFCXLD-DLBZAZTESA-N	0	3	318.465	2.586	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1	ZINC000332470853	336172311	/nfs/dbraw/zinc/17/23/11/336172311.db2.gz	NFAOYKGWODLXEX-HZPDHXFCSA-N	0	3	323.481	2.528	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](O)C12CCCC2	ZINC000330353463	336176476	/nfs/dbraw/zinc/17/64/76/336176476.db2.gz	OMDGXICWHNUTCG-CVEARBPZSA-N	0	3	323.481	2.544	20	30		DFEDHN
CCN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCOC(C)(C)C1	ZINC000351938692	336181293	/nfs/dbraw/zinc/18/12/93/336181293.db2.gz	QUFLCWUAVKRRMY-HNNXBMFYSA-N	0	3	321.465	2.609	20	30		DFEDHN
N#CCc1ccc(CN2CCSC3(CCOCC3)C2)cc1	ZINC000352051227	336192029	/nfs/dbraw/zinc/19/20/29/336192029.db2.gz	AOIANZQHSANTPY-UHFFFAOYSA-N	0	3	302.443	2.851	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C2CC2)CC1	ZINC000352199917	336201698	/nfs/dbraw/zinc/20/16/98/336201698.db2.gz	FZQUSJXEZKYWMM-KBXCAEBGSA-N	0	3	305.466	2.941	20	30		DFEDHN
C[C@]12CN(CC(=O)NC3(C#N)CCCCC3)C[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000333648574	336207665	/nfs/dbraw/zinc/20/76/65/336207665.db2.gz	DOCZCZMGFKYNAL-KYHPRHEASA-N	0	3	315.461	2.697	20	30		DFEDHN
C=CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2	ZINC000352471417	336220787	/nfs/dbraw/zinc/22/07/87/336220787.db2.gz	WKOBUNIQJYUVBS-IBGZPJMESA-N	0	3	313.445	2.870	20	30		DFEDHN
N#CC1(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)CCC1	ZINC000526287290	336243705	/nfs/dbraw/zinc/24/37/05/336243705.db2.gz	OMOMEKZKYQQIRD-INIZCTEOSA-N	0	3	317.820	2.943	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C2CC2)C(F)(F)F)CC1	ZINC000352826500	336263284	/nfs/dbraw/zinc/26/32/84/336263284.db2.gz	LEZVLDYTGFTNPJ-CYBMUJFWSA-N	0	3	319.371	2.667	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C2CC2)C(F)(F)F)CC1	ZINC000352826501	336263340	/nfs/dbraw/zinc/26/33/40/336263340.db2.gz	LEZVLDYTGFTNPJ-ZDUSSCGKSA-N	0	3	319.371	2.667	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1CCSCC1)C(C)C	ZINC000352846669	336276899	/nfs/dbraw/zinc/27/68/99/336276899.db2.gz	RKWHWRHOTJQMNS-MRXNPFEDSA-N	0	3	310.507	2.944	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H](c2ccccc2)C[C@H]1C	ZINC000527047456	336280983	/nfs/dbraw/zinc/28/09/83/336280983.db2.gz	KPBKQMHEYAQSHC-BFYDXBDKSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@](C)(CO)C(C)C	ZINC000352873505	336287078	/nfs/dbraw/zinc/28/70/78/336287078.db2.gz	SOAAGSDWNHOXHT-QGZVFWFLSA-N	0	3	322.474	2.900	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc3c(c2)nnn3C)cc1	ZINC000352951449	336379037	/nfs/dbraw/zinc/37/90/37/336379037.db2.gz	NKHXPHHHNGZJCY-UHFFFAOYSA-N	0	3	308.385	2.823	20	30		DFEDHN
CC(C)[C@H](NCCCSCC#N)c1nnc2ccccn21	ZINC000352957427	336379329	/nfs/dbraw/zinc/37/93/29/336379329.db2.gz	HBMCJYHFUNJKKV-AWEZNQCLSA-N	0	3	303.435	2.663	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000358995191	336651859	/nfs/dbraw/zinc/65/18/59/336651859.db2.gz	WHHJSBQIMVHXLU-FUHWJXTLSA-N	0	3	322.493	2.984	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@H](N2CCCC2)C1	ZINC000363027558	336817781	/nfs/dbraw/zinc/81/77/81/336817781.db2.gz	DFZGRYHGMHSOJO-INIZCTEOSA-N	0	3	314.429	2.952	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@@]12CCCO2	ZINC000368002896	336834251	/nfs/dbraw/zinc/83/42/51/336834251.db2.gz	UDGXZRPHQPMMEB-GUDVDZBRSA-N	0	3	315.413	2.515	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1	ZINC000369590886	336867860	/nfs/dbraw/zinc/86/78/60/336867860.db2.gz	HSEMTXIUOMZPJJ-CVEARBPZSA-N	0	3	316.470	2.764	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](c2ccccc2)C2CCOCC2)C1=O	ZINC000370242860	336880486	/nfs/dbraw/zinc/88/04/86/336880486.db2.gz	UDYHWOBCYMJMDM-QZTJIDSGSA-N	0	3	314.429	2.531	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(CC(C)C)cc1	ZINC000120300232	336908188	/nfs/dbraw/zinc/90/81/88/336908188.db2.gz	NNVUZWPRAOSFFL-AWEZNQCLSA-N	0	3	317.433	2.548	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](C)c1cccc2ccccc21	ZINC000120618963	336917330	/nfs/dbraw/zinc/91/73/30/336917330.db2.gz	ODCXUFRPLNRMRP-ZDUSSCGKSA-N	0	3	311.385	2.502	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](C)c1cccc2ccccc21	ZINC000120619129	336917352	/nfs/dbraw/zinc/91/73/52/336917352.db2.gz	ODCXUFRPLNRMRP-CYBMUJFWSA-N	0	3	311.385	2.502	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)[C@@H]1CCOC1	ZINC000374981038	337000942	/nfs/dbraw/zinc/00/09/42/337000942.db2.gz	QFOVHCFXWJBQPQ-MJGOQNOKSA-N	0	3	316.445	2.778	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@H](c2cc(OC)cc(OC)c2)C1	ZINC000305107179	337013616	/nfs/dbraw/zinc/01/36/16/337013616.db2.gz	ZQPUIYNNFFKWPA-GOEBONIOSA-N	0	3	305.418	2.820	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000375740402	337018315	/nfs/dbraw/zinc/01/83/15/337018315.db2.gz	BPJMIQNVCHWYBH-HZPDHXFCSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000376251738	337030029	/nfs/dbraw/zinc/03/00/29/337030029.db2.gz	FJPSLBSOIWWIHX-AEFFLSMTSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#CC1(CCCN2CC[C@@H](Oc3ccncc3)C2)CCOCC1	ZINC000376553219	337036799	/nfs/dbraw/zinc/03/67/99/337036799.db2.gz	MGDUXYGJEVOLDD-QGZVFWFLSA-N	0	3	315.417	2.635	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(F)(c3ccccc3)C2)CC1	ZINC000376757733	337040490	/nfs/dbraw/zinc/04/04/90/337040490.db2.gz	YHAWXNGLCCZCBV-UHFFFAOYSA-N	0	3	317.408	2.527	20	30		DFEDHN
C=CCN(Cc1c(C)cnn1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377547878	337054844	/nfs/dbraw/zinc/05/48/44/337054844.db2.gz	DRYFJTCVSQHJSH-LJQANCHMSA-N	0	3	324.472	2.991	20	30		DFEDHN
C=CCN(C(=O)C[C@H](C)OC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377572672	337055543	/nfs/dbraw/zinc/05/55/43/337055543.db2.gz	KSWFGBDUKLMANF-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=C(C)CN1CCC([C@@H]2CCCCCN2C(=O)COC)CC1	ZINC000377596203	337055865	/nfs/dbraw/zinc/05/58/65/337055865.db2.gz	WTEKKRGTKXDFLF-KRWDZBQOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C#Cc1ccc(CN2CCCN(Cc3nccn3CC)CC2)cc1	ZINC000377703897	337059298	/nfs/dbraw/zinc/05/92/98/337059298.db2.gz	QHKRCZDKFRPONS-UHFFFAOYSA-N	0	3	322.456	2.592	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)NCC2CCC(C#N)CC2)C1	ZINC000377941473	337064236	/nfs/dbraw/zinc/06/42/36/337064236.db2.gz	DRGAHFCLQFNKEP-KVULBXGLSA-N	0	3	309.429	2.645	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H]2c2ccccc2F)CC1	ZINC000378051703	337065623	/nfs/dbraw/zinc/06/56/23/337065623.db2.gz	PEFSSFLVOPWQCM-QGZVFWFLSA-N	0	3	317.408	2.933	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@H]2C2CC2)CC1	ZINC000378062785	337065810	/nfs/dbraw/zinc/06/58/10/337065810.db2.gz	VFGJBLPXIFNUPI-MRXNPFEDSA-N	0	3	305.466	2.857	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(c3nncn3CC)CC2)cc1	ZINC000360076534	337085026	/nfs/dbraw/zinc/08/50/26/337085026.db2.gz	QUMJFRBWPLYCIC-UHFFFAOYSA-N	0	3	324.428	2.690	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cc(F)cc(F)c2)CC1	ZINC000171553679	337088131	/nfs/dbraw/zinc/08/81/31/337088131.db2.gz	QMWHDTSOSIVDCL-UHFFFAOYSA-N	0	3	323.387	2.805	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000171680166	337088515	/nfs/dbraw/zinc/08/85/15/337088515.db2.gz	VGKHYDABTRWHJD-UHFFFAOYSA-N	0	3	305.397	2.584	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OCC3CC3)cc2)CC1	ZINC000171714925	337088718	/nfs/dbraw/zinc/08/87/18/337088718.db2.gz	BMYRUVVCJHIHST-UHFFFAOYSA-N	0	3	314.429	2.856	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(OC)c2)CC1	ZINC000171715490	337088753	/nfs/dbraw/zinc/08/87/53/337088753.db2.gz	IRZWZYGOTZTZCK-AWEZNQCLSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H]2CCOc3ccccc32)CC1	ZINC000172120240	337089931	/nfs/dbraw/zinc/08/99/31/337089931.db2.gz	XNAVPILLRCCLSD-OAHLLOKOSA-N	0	3	314.429	2.709	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000582542262	337107173	/nfs/dbraw/zinc/10/71/73/337107173.db2.gz	PGCJXCQNSCBSRF-OOHWJJMZSA-N	0	3	323.400	2.676	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C1	ZINC000582719159	337124754	/nfs/dbraw/zinc/12/47/54/337124754.db2.gz	WVXWHDWTRJJKKW-MSOLQXFVSA-N	0	3	307.397	2.678	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)NCC(C)(C)C#N	ZINC000460877278	337131469	/nfs/dbraw/zinc/13/14/69/337131469.db2.gz	CCYNXPASNQQKPK-UHFFFAOYSA-N	0	3	308.470	2.834	20	30		DFEDHN
C#CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000174301241	337142414	/nfs/dbraw/zinc/14/24/14/337142414.db2.gz	REIVYNUXVQDTLX-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCN(CCOC)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000418341433	337148774	/nfs/dbraw/zinc/14/87/74/337148774.db2.gz	DGGSVJBVKDSAOC-KRWDZBQOSA-N	0	3	319.449	2.654	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1	ZINC000176029862	337150164	/nfs/dbraw/zinc/15/01/64/337150164.db2.gz	QDANNAWWSXGODQ-CQSZACIVSA-N	0	3	303.431	2.516	20	30		DFEDHN
C#CCCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000176372121	337150991	/nfs/dbraw/zinc/15/09/91/337150991.db2.gz	UWDLXFLYQJPFRW-UHFFFAOYSA-N	0	3	313.445	2.706	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000178035672	337159904	/nfs/dbraw/zinc/15/99/04/337159904.db2.gz	AOUYJHKHTNVFCY-UHFFFAOYSA-N	0	3	317.408	2.596	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccc(F)cc3C2)CC1	ZINC000178862539	337165223	/nfs/dbraw/zinc/16/52/23/337165223.db2.gz	KYTXQSMYAAAGGD-UHFFFAOYSA-N	0	3	317.408	2.544	20	30		DFEDHN
C=CCc1cc(CN2CCCN(C3CC3)CC2)cc(OC)c1O	ZINC000179729724	337169316	/nfs/dbraw/zinc/16/93/16/337169316.db2.gz	GVLOKNRNJFVABB-UHFFFAOYSA-N	0	3	316.445	2.799	20	30		DFEDHN
COc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1OCCCC#N	ZINC000180855272	337178151	/nfs/dbraw/zinc/17/81/51/337178151.db2.gz	HKCDMBVZQHRMKA-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1ccc(OC2CCN(CCCSCC#N)CC2)nc1	ZINC000182844920	337190472	/nfs/dbraw/zinc/19/04/72/337190472.db2.gz	JKHMHVZTYSFBBS-UHFFFAOYSA-N	0	3	305.447	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)CC1	ZINC000184430018	337197239	/nfs/dbraw/zinc/19/72/39/337197239.db2.gz	HLJOLTXTRQOGAN-QGZVFWFLSA-N	0	3	314.429	2.546	20	30		DFEDHN
C=CCN(CCCc1nc(-c2ccccc2)no1)CCOC	ZINC000191084936	337293680	/nfs/dbraw/zinc/29/36/80/337293680.db2.gz	SUROXXXQYOXKNS-UHFFFAOYSA-N	0	3	301.390	2.804	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncnc1C1CC1	ZINC000583735253	337327476	/nfs/dbraw/zinc/32/74/76/337327476.db2.gz	MSWDJRSSVUYSHT-LBPRGKRZSA-N	0	3	317.352	2.731	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cncnc1C1CC1	ZINC000583735253	337327477	/nfs/dbraw/zinc/32/74/77/337327477.db2.gz	MSWDJRSSVUYSHT-LBPRGKRZSA-N	0	3	317.352	2.731	20	30		DFEDHN
C=CCCCCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1	ZINC000583793546	337333744	/nfs/dbraw/zinc/33/37/44/337333744.db2.gz	QXVNQKRCGAFKMP-MRXNPFEDSA-N	0	3	314.495	2.669	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN(CCCCC#N)CC2)s1	ZINC000102400079	337386314	/nfs/dbraw/zinc/38/63/14/337386314.db2.gz	KUDHPENFVHAZDB-UHFFFAOYSA-N	0	3	305.447	2.945	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NC[C@H](N)c1ccccc1CC	ZINC000418660407	337388441	/nfs/dbraw/zinc/38/84/41/337388441.db2.gz	YPPCIJHNXZSGAF-RDJZCZTQSA-N	0	3	301.434	2.999	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000111259103	337389678	/nfs/dbraw/zinc/38/96/78/337389678.db2.gz	OXYYSYRJHXPINM-CYBMUJFWSA-N	0	3	304.459	2.919	20	30		DFEDHN
CC(C)(C)OC(=O)CCNC1CC(C#N)(c2ccccc2)C1	ZINC000127369065	337420383	/nfs/dbraw/zinc/42/03/83/337420383.db2.gz	FDZMGXVZTJJMNK-UHFFFAOYSA-N	0	3	300.402	2.932	20	30		DFEDHN
C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(C2CC2)cc1	ZINC000419362883	337481043	/nfs/dbraw/zinc/48/10/43/337481043.db2.gz	VPYYHIQHSKYJLZ-HNNXBMFYSA-N	0	3	324.428	2.871	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)O[C@@H](CC)C2)CC1	ZINC000420795602	337510998	/nfs/dbraw/zinc/51/09/98/337510998.db2.gz	SWLNCZHJYYLSOT-IRXDYDNUSA-N	0	3	323.481	2.626	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CCC[C@H]1c1ccccc1	ZINC000275582696	337662698	/nfs/dbraw/zinc/66/26/98/337662698.db2.gz	IFTDGUMZYXPTGZ-NJAFHUGGSA-N	0	3	313.445	2.920	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1	ZINC000424093185	337733173	/nfs/dbraw/zinc/73/31/73/337733173.db2.gz	QWIIAPHXZJZFIX-QWHCGFSZSA-N	0	3	313.323	2.817	20	30		DFEDHN
CC(C)CN(CCc1ccccc1)C(=O)[C@@H](N)CCCC#N	ZINC000424096968	337733647	/nfs/dbraw/zinc/73/36/47/337733647.db2.gz	PZWRIAGMHSUTSM-KRWDZBQOSA-N	0	3	301.434	2.735	20	30		DFEDHN
CCSc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424113613	337740769	/nfs/dbraw/zinc/74/07/69/337740769.db2.gz	NRZNESVPJRPTCD-DOMZBBRYSA-N	0	3	305.447	2.997	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000424114323	337741448	/nfs/dbraw/zinc/74/14/48/337741448.db2.gz	QLAUNKQHXMOKGP-KRWDZBQOSA-N	0	3	317.408	2.628	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000424120276	337744212	/nfs/dbraw/zinc/74/42/12/337744212.db2.gz	DRSLMZSMKMOGOB-UKRRQHHQSA-N	0	3	305.809	2.677	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H](N)CCCC#N)C1	ZINC000424127495	337749853	/nfs/dbraw/zinc/74/98/53/337749853.db2.gz	PYLQIYNHNPBWHN-DAXOMENPSA-N	0	3	303.381	2.756	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c2ccc(F)cc2O1	ZINC000424133418	337752149	/nfs/dbraw/zinc/75/21/49/337752149.db2.gz	ZIVCXPDGMBQMEP-KGLIPLIRSA-N	0	3	319.380	2.565	20	30		DFEDHN
CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)s1	ZINC000424146712	337772777	/nfs/dbraw/zinc/77/27/77/337772777.db2.gz	QDISELPDLQFQNM-NEPJUHHUSA-N	0	3	308.451	2.555	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)Oc1cccc(Cl)c1	ZINC000424157373	337784345	/nfs/dbraw/zinc/78/43/45/337784345.db2.gz	SGQFAGURVTVZKU-ZFWWWQNUSA-N	0	3	323.824	2.635	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1nc(C(C)(C)C)cs1	ZINC000424161791	337787260	/nfs/dbraw/zinc/78/72/60/337787260.db2.gz	WCSGPUNDKQKGRZ-WDEREUQCSA-N	0	3	308.451	2.639	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C(C)(C)C)cs1	ZINC000424161785	337787313	/nfs/dbraw/zinc/78/73/13/337787313.db2.gz	WCSGPUNDKQKGRZ-MNOVXSKESA-N	0	3	308.451	2.639	20	30		DFEDHN
Cc1ccccc1[C@H](CN1CCOCC1)N[C@@H]1CC[C@H](C#N)C1	ZINC000424328465	337821642	/nfs/dbraw/zinc/82/16/42/337821642.db2.gz	OCZUNMNRCMOQLD-SCTDSRPQSA-N	0	3	313.445	2.650	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C)cc(CN(C)C)c1	ZINC000424512339	337845092	/nfs/dbraw/zinc/84/50/92/337845092.db2.gz	ZBRHKIPCERPWBL-SJORKVTESA-N	0	3	302.418	2.976	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](C)CN2CCCCCC2)CCOCC1	ZINC000424775595	338012280	/nfs/dbraw/zinc/01/22/80/338012280.db2.gz	PHENHXVTOQYLLM-INIZCTEOSA-N	0	3	308.466	2.740	20	30		DFEDHN
OCC[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000426214787	338023036	/nfs/dbraw/zinc/02/30/36/338023036.db2.gz	HBZMQINLBRPTAV-AWEZNQCLSA-N	0	3	313.319	2.784	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000428533482	338055686	/nfs/dbraw/zinc/05/56/86/338055686.db2.gz	DPEUVMJEMMOHFA-SJLPKXTDSA-N	0	3	302.418	2.794	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N[C@H](C)c1ccccc1	ZINC000429714808	338087970	/nfs/dbraw/zinc/08/79/70/338087970.db2.gz	HESCRESCJSSOGD-SJORKVTESA-N	0	3	317.477	2.692	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2ccccc2)no1	ZINC000429711978	338087979	/nfs/dbraw/zinc/08/79/79/338087979.db2.gz	AOGYWTLWEXCVNI-UHFFFAOYSA-N	0	3	300.406	2.676	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncc(F)cc1F)C(C)C	ZINC000429807989	338090437	/nfs/dbraw/zinc/09/04/37/338090437.db2.gz	VWYMEEQYTVIZNG-HNNXBMFYSA-N	0	3	323.387	2.788	20	30		DFEDHN
N#CCCC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1	ZINC000433022279	338176718	/nfs/dbraw/zinc/17/67/18/338176718.db2.gz	JOBQDWSPBTXFJP-INIZCTEOSA-N	0	3	310.401	2.574	20	30		DFEDHN
N#CCCC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000433021456	338176773	/nfs/dbraw/zinc/17/67/73/338176773.db2.gz	XDIXYWFMPMNXHF-INIZCTEOSA-N	0	3	313.361	2.816	20	30		DFEDHN
N#CCCC[C@H](NCc1cc(=O)n2nccc2[nH]1)c1ccccc1	ZINC000433028750	338177165	/nfs/dbraw/zinc/17/71/65/338177165.db2.gz	PVHKFDNPMOEIAY-INIZCTEOSA-N	0	3	321.384	2.547	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000433220282	338186379	/nfs/dbraw/zinc/18/63/79/338186379.db2.gz	OZIQLHTZWVJIRW-AEFFLSMTSA-N	0	3	313.445	2.607	20	30		DFEDHN
COC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000433348921	338193600	/nfs/dbraw/zinc/19/36/00/338193600.db2.gz	AFGOQAQYSBJETL-IAGOWNOFSA-N	0	3	300.402	2.644	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000433362767	338193829	/nfs/dbraw/zinc/19/38/29/338193829.db2.gz	FTRSDZDZSPRIEA-QXAKKESOSA-N	0	3	320.392	2.533	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)CCc2ccccc2)CN1C1CC1	ZINC000433388797	338194518	/nfs/dbraw/zinc/19/45/18/338194518.db2.gz	VPCRTKUKPBEHHW-HYVNUMGLSA-N	0	3	311.429	2.500	20	30		DFEDHN
C=C(C)CS(=O)(=O)NCC1(N2CCCCC2)CCCCC1	ZINC000435421125	338239709	/nfs/dbraw/zinc/23/97/09/338239709.db2.gz	HUCJAHKWMLDUMY-UHFFFAOYSA-N	0	3	314.495	2.671	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000435422536	338239785	/nfs/dbraw/zinc/23/97/85/338239785.db2.gz	OSFNEEOKCDPMEE-QGZVFWFLSA-N	0	3	322.474	2.537	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](CO)C2)cc1OCCCC#N	ZINC000154597915	338247243	/nfs/dbraw/zinc/24/72/43/338247243.db2.gz	JNZOKTYFQVTWMC-INIZCTEOSA-N	0	3	318.417	2.582	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000437806817	338322325	/nfs/dbraw/zinc/32/23/25/338322325.db2.gz	GFNZTYGNCQKNGA-GOSISDBHSA-N	0	3	320.433	2.794	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000448604566	338346369	/nfs/dbraw/zinc/34/63/69/338346369.db2.gz	DLOFLCYONKKVPO-DNVCBOLYSA-N	0	3	311.429	2.838	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000448605088	338347639	/nfs/dbraw/zinc/34/76/39/338347639.db2.gz	KPBZWWXOBXSOQW-KFWWJZLASA-N	0	3	320.458	2.592	20	30		DFEDHN
CC(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1nccs1	ZINC000442829907	338433714	/nfs/dbraw/zinc/43/37/14/338433714.db2.gz	QNGYXRNPMMOZGU-XQQFMLRXSA-N	0	3	306.435	2.778	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1	ZINC000449694766	338646907	/nfs/dbraw/zinc/64/69/07/338646907.db2.gz	CNFGDGHTFMCTJN-HNNXBMFYSA-N	0	3	305.809	2.942	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@H](C)C#N)C1(C)C	ZINC000450966973	338714965	/nfs/dbraw/zinc/71/49/65/338714965.db2.gz	HPXWMVNBSVACBB-OWCLPIDISA-N	0	3	323.481	2.568	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCC2	ZINC000451476259	338736110	/nfs/dbraw/zinc/73/61/10/338736110.db2.gz	ULTLSUFFVXZRGM-JYJNAYRXSA-N	0	3	308.466	2.737	20	30		DFEDHN
CC(C)O[C@@H]1C[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1(C)C	ZINC000451505629	338736915	/nfs/dbraw/zinc/73/69/15/338736915.db2.gz	TVHBHRVBQLWYRT-FSZRXZPDSA-N	0	3	323.481	2.611	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1COCC1(C)C	ZINC000451814403	338744892	/nfs/dbraw/zinc/74/48/92/338744892.db2.gz	UEMNRZNDPCBADJ-DZGCQCFKSA-N	0	3	322.474	2.666	20	30		DFEDHN
C=CCC[C@H](CC)N1CCC(C(=O)OCC)([S@](C)=O)CC1	ZINC000453290740	338819409	/nfs/dbraw/zinc/81/94/09/338819409.db2.gz	UWSMLNMAZPCPJO-QKKBWIMNSA-N	0	3	315.479	2.507	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453376588	338834328	/nfs/dbraw/zinc/83/43/28/338834328.db2.gz	XRYCELIPOVAEQM-XZJROXQQSA-N	0	3	304.390	2.648	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(CC#N)c1	ZINC000455910123	338913989	/nfs/dbraw/zinc/91/39/89/338913989.db2.gz	TUTXABRIMHVTEW-AWEZNQCLSA-N	0	3	314.433	2.947	20	30		DFEDHN
C=CCn1cccc1C(=O)N(CCN(C)C)Cc1ccsc1	ZINC000458211153	338992028	/nfs/dbraw/zinc/99/20/28/338992028.db2.gz	AADTYMFHQBXYLL-UHFFFAOYSA-N	0	3	317.458	2.940	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CC1	ZINC000458311601	338995553	/nfs/dbraw/zinc/99/55/53/338995553.db2.gz	AUYMPCVWZAQBIU-MSOLQXFVSA-N	0	3	317.477	2.857	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccco1	ZINC000458762743	339004994	/nfs/dbraw/zinc/00/49/94/339004994.db2.gz	IYVLACBDQHUQOR-UONOGXRCSA-N	0	3	320.437	2.900	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)NCC(C)(C)CC#N)c1ccco1	ZINC000458769609	339005099	/nfs/dbraw/zinc/00/50/99/339005099.db2.gz	NCKTWUZLKYLDBE-KGLIPLIRSA-N	0	3	320.437	2.948	20	30		DFEDHN
C[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H](c1ccccc1)N(C)C	ZINC000458787629	339005309	/nfs/dbraw/zinc/00/53/09/339005309.db2.gz	XRNVFNYHCGRMCD-GDBMZVCRSA-N	0	3	316.449	2.917	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000458806190	339005897	/nfs/dbraw/zinc/00/58/97/339005897.db2.gz	VTFWLFAJISJLCO-IRXDYDNUSA-N	0	3	314.433	2.767	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000458811609	339006225	/nfs/dbraw/zinc/00/62/25/339006225.db2.gz	PHPLRTSIDKJTDC-OWCLPIDISA-N	0	3	307.482	2.960	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000458909915	339008486	/nfs/dbraw/zinc/00/84/86/339008486.db2.gz	YVBYVYUECDZFFS-WFASDCNBSA-N	0	3	307.463	2.885	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1[C@@H](C)C1(F)F)C(C)C	ZINC000460971938	339056223	/nfs/dbraw/zinc/05/62/23/339056223.db2.gz	GLILNXMWFPHCSF-MCIONIFRSA-N	0	3	300.393	2.702	20	30		DFEDHN
C=CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1	ZINC000463269611	339112678	/nfs/dbraw/zinc/11/26/78/339112678.db2.gz	BHOPFBRTHUPVHO-YJBOKZPZSA-N	0	3	313.445	2.867	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@@H](C)CCc2ccccc2)C1=O	ZINC000467518119	339240940	/nfs/dbraw/zinc/24/09/40/339240940.db2.gz	JQUMVYVXMBKMHY-WMZOPIPTSA-N	0	3	300.446	2.974	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1	ZINC000470164013	339312317	/nfs/dbraw/zinc/31/23/17/339312317.db2.gz	PXFNZTALXNFHBV-MRXNPFEDSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCCN1CCCC	ZINC000473169403	339383339	/nfs/dbraw/zinc/38/33/39/339383339.db2.gz	JKWAJZRTCQYTGR-SJLPKXTDSA-N	0	3	310.482	2.986	20	30		DFEDHN
C#CCNC(=O)C1CCN(CCCc2ccccc2Cl)CC1	ZINC000491202513	339853205	/nfs/dbraw/zinc/85/32/05/339853205.db2.gz	OTBXURMSAIHGAO-UHFFFAOYSA-N	0	3	318.848	2.734	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000491730813	339876764	/nfs/dbraw/zinc/87/67/64/339876764.db2.gz	IACBRHSRUPISTD-AEFFLSMTSA-N	0	3	313.445	2.795	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1ccncc1)C(C)C	ZINC000491843741	339885021	/nfs/dbraw/zinc/88/50/21/339885021.db2.gz	JNRRUQLPZGNPGL-DVBCCOPCSA-N	0	3	313.445	2.910	20	30		DFEDHN
CN(C)C/C=C\C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000491891210	339886192	/nfs/dbraw/zinc/88/61/92/339886192.db2.gz	YSCZGIAIOXMKEK-POHAHGRESA-N	0	3	305.381	2.538	20	30		DFEDHN
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CCC1	ZINC000496295720	340002372	/nfs/dbraw/zinc/00/23/72/340002372.db2.gz	PZLUDMZZAXRJJN-KBPBESRZSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000496655172	340009900	/nfs/dbraw/zinc/00/99/00/340009900.db2.gz	NMQBPGIJDWPXQQ-RHSMWYFYSA-N	0	3	318.417	2.963	20	30		DFEDHN
C=CCN1CC2(CCN(C(=O)OC(C)(C)C)CC2)[C@H]2COC[C@H]21	ZINC000496854567	340014668	/nfs/dbraw/zinc/01/46/68/340014668.db2.gz	GKINGWYZUUQVRO-LSDHHAIUSA-N	0	3	322.449	2.520	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](CN2CCOC2=O)C1	ZINC000497119298	340020867	/nfs/dbraw/zinc/02/08/67/340020867.db2.gz	WFILTEZGKLLSOS-OAHLLOKOSA-N	0	3	316.401	2.526	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OC(F)F	ZINC000502597470	340108835	/nfs/dbraw/zinc/10/88/35/340108835.db2.gz	UVWGVWSIOZJTIK-MGPQQGTHSA-N	0	3	318.408	2.940	20	30		DFEDHN
C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000507220926	340214179	/nfs/dbraw/zinc/21/41/79/340214179.db2.gz	BSDGERYLCLOAKY-OFQRWUPVSA-N	0	3	317.458	2.663	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CSC[C@@H]1C	ZINC000507267268	340216296	/nfs/dbraw/zinc/21/62/96/340216296.db2.gz	WXVLQKOGFVFWPG-YDHLFZDLSA-N	0	3	324.515	2.992	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)OC2CCCCCC2)CC1	ZINC000177551500	340441425	/nfs/dbraw/zinc/44/14/25/340441425.db2.gz	LGPFZRVFVYGKDF-HNNXBMFYSA-N	0	3	308.466	2.881	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c(F)c1	ZINC000528521188	340722993	/nfs/dbraw/zinc/72/29/93/340722993.db2.gz	RPZVZIBYCMCDSW-KGLIPLIRSA-N	0	3	312.772	2.741	20	30		DFEDHN
N#CCC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000542878380	341024883	/nfs/dbraw/zinc/02/48/83/341024883.db2.gz	HIIXHTYJYHFASY-UHFFFAOYSA-N	0	3	302.403	2.574	20	30		DFEDHN
C=CCSCCNC(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000543760807	341057407	/nfs/dbraw/zinc/05/74/07/341057407.db2.gz	XLZLZXMUKJHKAH-UHFFFAOYSA-N	0	3	323.462	2.798	20	30		DFEDHN
C=CCC[C@H](CCC)[NH2+]CC[N-]S(=O)(=O)c1cccs1	ZINC000546605990	341174579	/nfs/dbraw/zinc/17/45/79/341174579.db2.gz	DOXUGXAEGZVZMT-ZDUSSCGKSA-N	0	3	316.492	2.751	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1	ZINC000078324843	341240455	/nfs/dbraw/zinc/24/04/55/341240455.db2.gz	LMGZPUYTACVOQQ-HOTGVXAUSA-N	0	3	305.466	2.859	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(CCCc2ccncc2)CC1	ZINC000548865623	341278840	/nfs/dbraw/zinc/27/88/40/341278840.db2.gz	TWPPAPYNGUANOX-UHFFFAOYSA-N	0	3	306.413	2.967	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc(SCC#N)c1	ZINC000247279274	341363025	/nfs/dbraw/zinc/36/30/25/341363025.db2.gz	XFACQXJVRKMGTL-CZUORRHYSA-N	0	3	317.458	2.714	20	30		DFEDHN
C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NC1(C#N)CCCCC1	ZINC000247707856	341369420	/nfs/dbraw/zinc/36/94/20/341369420.db2.gz	ZKQQGQFRQWIALP-BZUAXINKSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000567232954	341590321	/nfs/dbraw/zinc/59/03/21/341590321.db2.gz	RRFMICYYOLUKLW-PBHICJAKSA-N	0	3	301.434	2.999	20	30		DFEDHN
Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H](N)CCCC#N)C2)cc1	ZINC000573198079	341720696	/nfs/dbraw/zinc/72/06/96/341720696.db2.gz	XYQRBMQJGDVLQO-ZWKOTPCHSA-N	0	3	313.445	2.797	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000360399194	500578410	/nfs/dbraw/zinc/57/84/10/500578410.db2.gz	BIBOMZUKTOJBAL-IEBWSBKVSA-N	0	3	316.445	2.703	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301956522	533968359	/nfs/dbraw/zinc/96/83/59/533968359.db2.gz	KYGWAJOJLINUTB-GDBMZVCRSA-N	0	3	307.401	2.813	20	30		DFEDHN
Cc1ccc(N2CCN(Cc3ccccc3)C[C@H]2C)nc1C#N	ZINC000302629394	534167340	/nfs/dbraw/zinc/16/73/40/534167340.db2.gz	IUDWXYJCEJDUQJ-MRXNPFEDSA-N	0	3	306.413	2.972	20	30		DFEDHN
CCN1CCc2c(cccc2NC(=O)c2cc(C#N)cn2C)C1	ZINC000366347382	521724075	/nfs/dbraw/zinc/72/40/75/521724075.db2.gz	RLDPPTHVKTTWOM-UHFFFAOYSA-N	0	3	308.385	2.527	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC2(CCOCC2)[C@H]1C	ZINC000363800864	523522305	/nfs/dbraw/zinc/52/23/05/523522305.db2.gz	OIFCLGUKGYEBCW-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
CC[C@]1(CO)CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000364795169	523622789	/nfs/dbraw/zinc/62/27/89/523622789.db2.gz	IULMWFGABBURKV-GOSISDBHSA-N	0	3	311.385	2.950	20	30		DFEDHN
CC(=O)N1CCC(CN[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000330778828	526537997	/nfs/dbraw/zinc/53/79/97/526537997.db2.gz	BVSUKMVJOWCNOD-GFCCVEGCSA-N	0	3	303.381	2.606	20	30		DFEDHN
N#Cc1cccc(OCCN[C@@H]2c3ccccc3CC[C@H]2CO)c1	ZINC000365266166	526728310	/nfs/dbraw/zinc/72/83/10/526728310.db2.gz	LUFQQTIZKYHEQJ-PXNSSMCTSA-N	0	3	322.408	2.823	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2ccccc2C#N)C[C@H]1O	ZINC000330695602	526731877	/nfs/dbraw/zinc/73/18/77/526731877.db2.gz	DHTZOXVHNOYPEZ-JKSUJKDBSA-N	0	3	302.418	2.666	20	30		DFEDHN
CCCc1ccc2nccc(NCCn3cnc(C#N)n3)c2c1	ZINC000295743677	528631502	/nfs/dbraw/zinc/63/15/02/528631502.db2.gz	YQQJKXZEDMMRQA-UHFFFAOYSA-N	0	3	306.373	2.763	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1	ZINC000681470691	545646273	/nfs/dbraw/zinc/64/62/73/545646273.db2.gz	QEFWXVMAOXMRMV-GUYCJALGSA-N	0	3	304.821	2.538	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCC#Cc1ccccc1	ZINC000683023256	545960937	/nfs/dbraw/zinc/96/09/37/545960937.db2.gz	BEFFJJYQKKWIBE-OALUTQOASA-N	0	3	312.457	2.911	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2CCOC[C@@H]2C2CC2)CCCC1(C)C	ZINC000683528304	546053999	/nfs/dbraw/zinc/05/39/99/546053999.db2.gz	VERKQBVQIIKACP-SJORKVTESA-N	0	3	320.477	2.691	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000683529181	546054086	/nfs/dbraw/zinc/05/40/86/546054086.db2.gz	NPOREYPBQVJDCY-MNOVXSKESA-N	0	3	303.328	2.545	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000683529180	546054217	/nfs/dbraw/zinc/05/42/17/546054217.db2.gz	NPOREYPBQVJDCY-GHMZBOCLSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H]1CNc2ccnn2C1	ZINC000684202817	546171608	/nfs/dbraw/zinc/17/16/08/546171608.db2.gz	YDKFJVYHUZCUQI-MRXNPFEDSA-N	0	3	312.417	2.622	20	30		DFEDHN
C=C(C)COc1cc(CN(C)C[C@H](O)C2CC2)ccc1OC	ZINC000685461043	546355265	/nfs/dbraw/zinc/35/52/65/546355265.db2.gz	PIVSKLQYESNPBN-INIZCTEOSA-N	0	3	305.418	2.853	20	30		DFEDHN
CCCCCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12	ZINC000736446360	599482151	/nfs/dbraw/zinc/48/21/51/599482151.db2.gz	ADOBVKLCRVADPG-UHFFFAOYSA-N	0	3	313.409	2.574	20	30		DFEDHN
CCCCCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12	ZINC000736446360	599482153	/nfs/dbraw/zinc/48/21/53/599482153.db2.gz	ADOBVKLCRVADPG-UHFFFAOYSA-N	0	3	313.409	2.574	20	30		DFEDHN
C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1	ZINC000820425733	606222745	/nfs/dbraw/zinc/22/27/45/606222745.db2.gz	BLCMVYOVODLGQB-JTQLQIEISA-N	0	3	310.386	2.651	20	30		DFEDHN
C=CCC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734300	606746247	/nfs/dbraw/zinc/74/62/47/606746247.db2.gz	LEUPZEKNQAHAQG-XJKSGUPXSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734300	606746248	/nfs/dbraw/zinc/74/62/48/606746248.db2.gz	LEUPZEKNQAHAQG-XJKSGUPXSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734300	606746250	/nfs/dbraw/zinc/74/62/50/606746250.db2.gz	LEUPZEKNQAHAQG-XJKSGUPXSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734300	606746251	/nfs/dbraw/zinc/74/62/51/606746251.db2.gz	LEUPZEKNQAHAQG-XJKSGUPXSA-N	0	3	315.421	2.577	20	30		DFEDHN
C#CC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000823838196	607938814	/nfs/dbraw/zinc/93/88/14/607938814.db2.gz	LRDNUGJOADMIAU-QGZVFWFLSA-N	0	3	303.369	2.721	20	30		DFEDHN
C#CCOc1cc(F)ccc1NC(=O)C1CCN(C2CC2)CC1	ZINC000278332747	214095287	/nfs/dbraw/zinc/09/52/87/214095287.db2.gz	LFLPZMFIDOYCBQ-UHFFFAOYSA-N	0	3	316.376	2.651	20	30		DFEDHN
CCOC(=O)N1CC[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)C1	ZINC000278369288	214122656	/nfs/dbraw/zinc/12/26/56/214122656.db2.gz	CAOLKHBLXPECIA-CVEARBPZSA-N	0	3	301.390	2.830	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)c(OC)cc2C)CC1	ZINC000278376720	214126699	/nfs/dbraw/zinc/12/66/99/214126699.db2.gz	LIRRFXFYTNARPK-UHFFFAOYSA-N	0	3	300.402	2.596	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1	ZINC000278388054	214134450	/nfs/dbraw/zinc/13/44/50/214134450.db2.gz	AASYYGKGLOZSSW-HNNXBMFYSA-N	0	3	310.397	2.557	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000278642662	214296064	/nfs/dbraw/zinc/29/60/64/214296064.db2.gz	NZRGGENRNOENCE-SJLPKXTDSA-N	0	3	304.434	2.513	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596208101	398357601	/nfs/dbraw/zinc/35/76/01/398357601.db2.gz	VRCWERSFPUUEDQ-OAHLLOKOSA-N	0	3	302.378	2.551	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000066308776	398368393	/nfs/dbraw/zinc/36/83/93/398368393.db2.gz	LZGQUCSAIHTYHJ-FUHWJXTLSA-N	0	3	316.445	2.921	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1	ZINC000131486286	334934700	/nfs/dbraw/zinc/93/47/00/334934700.db2.gz	WOPCGWAVPQHTTK-CABCVRRESA-N	0	3	302.418	2.510	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000578809858	398375536	/nfs/dbraw/zinc/37/55/36/398375536.db2.gz	JYZCKKXIOPRIFL-ZIAGYGMSSA-N	0	3	303.324	2.656	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cnc2c(cnn2C(C)C)c1	ZINC000578961273	398377120	/nfs/dbraw/zinc/37/71/20/398377120.db2.gz	PLPIDBGMSKVXKC-CVEARBPZSA-N	0	3	300.406	2.835	20	30		DFEDHN
C[C@](C#N)(NC(=O)C1CCN(C2CC2)CC1)C1CCCCC1	ZINC000579186792	398378683	/nfs/dbraw/zinc/37/86/83/398378683.db2.gz	HMKDJELWUWRWCQ-GOSISDBHSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN2CCC(CCC#N)CC2)c1	ZINC000581307870	398390040	/nfs/dbraw/zinc/39/00/40/398390040.db2.gz	IFNANLWDOPBEFK-QGZVFWFLSA-N	0	3	302.418	2.751	20	30		DFEDHN
CCCCNC(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1	ZINC000092710496	185335997	/nfs/dbraw/zinc/33/59/97/185335997.db2.gz	AOBUQQBTMDAJSI-AWEZNQCLSA-N	0	3	305.447	2.748	20	30		DFEDHN
CN1CCC(Nc2ccccc2NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181392702	199290230	/nfs/dbraw/zinc/29/02/30/199290230.db2.gz	IVFCHVNCLKPMDF-UHFFFAOYSA-N	0	3	323.400	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(NC(C)C)nc2)CC1	ZINC000084389680	398398780	/nfs/dbraw/zinc/39/87/80/398398780.db2.gz	APGBWHHUUZRHHA-UHFFFAOYSA-N	0	3	316.449	2.672	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C	ZINC000596391256	398401713	/nfs/dbraw/zinc/40/17/13/398401713.db2.gz	CKFHRFSECNIRKA-BBRMVZONSA-N	0	3	314.433	2.575	20	30		DFEDHN
C=CCS(=O)(=O)CCNCc1ccc(OC)c2ccccc12	ZINC000272807150	210208686	/nfs/dbraw/zinc/20/86/86/210208686.db2.gz	FXHQYDHGSNKMNB-UHFFFAOYSA-N	0	3	319.426	2.539	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2cccs2)ccc1C#N	ZINC000291815534	222635561	/nfs/dbraw/zinc/63/55/61/222635561.db2.gz	FNJQXBVMFAAWTG-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCN(C)C1	ZINC000592214816	398403677	/nfs/dbraw/zinc/40/36/77/398403677.db2.gz	XJFYANSWDVMEOD-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1	ZINC000292933055	529810881	/nfs/dbraw/zinc/81/08/81/529810881.db2.gz	YWNOVTULPQIBJM-INIZCTEOSA-N	0	3	318.808	2.771	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccoc2)CC1	ZINC000592301970	398411977	/nfs/dbraw/zinc/41/19/77/398411977.db2.gz	LYGGXZZVENQBJF-UHFFFAOYSA-N	0	3	305.422	2.852	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](CC)c1ccc(OC)cc1	ZINC000272787368	210190456	/nfs/dbraw/zinc/19/04/56/210190456.db2.gz	COZKCONPBPCTIU-QGZVFWFLSA-N	0	3	302.418	2.937	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(NCC(F)(F)F)c1	ZINC000584778783	398411409	/nfs/dbraw/zinc/41/14/09/398411409.db2.gz	ATGGFIXXOGQPPF-LBPRGKRZSA-N	0	3	314.311	2.620	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CCCCC2)C1	ZINC000596478535	398424220	/nfs/dbraw/zinc/42/42/20/398424220.db2.gz	PFTNKPZDPNXIHC-ZDUSSCGKSA-N	0	3	315.377	2.680	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc(Cl)nc2)CC1	ZINC000255499532	398425492	/nfs/dbraw/zinc/42/54/92/398425492.db2.gz	WAUSLUYJTFZWSC-XQRVVYSFSA-N	0	3	305.809	2.515	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C#N)cc1	ZINC000596475699	398423363	/nfs/dbraw/zinc/42/33/63/398423363.db2.gz	LZTVJSDBLKBOJS-CQSZACIVSA-N	0	3	300.406	2.800	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1	ZINC000088252772	398433411	/nfs/dbraw/zinc/43/34/11/398433411.db2.gz	CHDFCFCZVCIDMK-CQSZACIVSA-N	0	3	302.393	2.657	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3ccc(F)cc32)CC1	ZINC000592526843	398443193	/nfs/dbraw/zinc/44/31/93/398443193.db2.gz	PERUIMWOAOQFMV-KRWDZBQOSA-N	0	3	317.408	2.763	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](CC(=O)OC(C)(C)C)CC1	ZINC000585797708	398448620	/nfs/dbraw/zinc/44/86/20/398448620.db2.gz	CCGTYQILMLGEPG-CABCVRRESA-N	0	3	324.465	2.511	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)OC(C)(C)C)CC1	ZINC000585797710	398448745	/nfs/dbraw/zinc/44/87/45/398448745.db2.gz	CCGTYQILMLGEPG-HUUCEWRRSA-N	0	3	324.465	2.511	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000067707621	398452767	/nfs/dbraw/zinc/45/27/67/398452767.db2.gz	FDWGAUWAXGDPTB-UHFFFAOYSA-N	0	3	308.328	2.572	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnc2n1CCCC2	ZINC000586840865	398466755	/nfs/dbraw/zinc/46/67/55/398466755.db2.gz	QYHZWUPANOQWFM-MRXNPFEDSA-N	0	3	322.412	2.608	20	30		DFEDHN
CCN1C[C@H](C)[C@H](Nc2nc3cc(Cl)ccn3c2C#N)C1	ZINC000587995523	398473915	/nfs/dbraw/zinc/47/39/15/398473915.db2.gz	XFNDIQHRIMMBHA-CMPLNLGQSA-N	0	3	303.797	2.611	20	30		DFEDHN
CCN1CCN(c2ccc(NC(=O)[C@@H](C)CC#N)c(C)c2)CC1	ZINC000596665403	398475032	/nfs/dbraw/zinc/47/50/32/398475032.db2.gz	YLFWZCZWGCBZNO-AWEZNQCLSA-N	0	3	314.433	2.625	20	30		DFEDHN
C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000181729115	199344834	/nfs/dbraw/zinc/34/48/34/199344834.db2.gz	QWTJWUAVAOGBGW-HNAYVOBHSA-N	0	3	321.424	2.908	20	30		DFEDHN
N#Cc1ccc(CNCc2ccc(CN3CCOCC3)cc2)cc1	ZINC000053132878	282405538	/nfs/dbraw/zinc/40/55/38/282405538.db2.gz	GJSFYOZDMOMFCK-UHFFFAOYSA-N	0	3	321.424	2.680	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)NC1CCN(C)CC1	ZINC000280078033	334962059	/nfs/dbraw/zinc/96/20/59/334962059.db2.gz	VRFVIRMWJXWIFA-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
N#CCCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000592819604	398490704	/nfs/dbraw/zinc/49/07/04/398490704.db2.gz	KMHXOINFKCCLPR-GOSISDBHSA-N	0	3	320.396	2.783	20	30		DFEDHN
CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCN(C)C1	ZINC000592829786	398492334	/nfs/dbraw/zinc/49/23/34/398492334.db2.gz	YTSGGSLVQWZNDT-OKZBNKHCSA-N	0	3	311.429	2.604	20	30		DFEDHN
CCCC[C@](C)(CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592851470	398495749	/nfs/dbraw/zinc/49/57/49/398495749.db2.gz	DCYIFZHNCWMOQI-SJLPKXTDSA-N	0	3	302.418	2.816	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1F	ZINC000305284710	398506064	/nfs/dbraw/zinc/50/60/64/398506064.db2.gz	DGPXLCYRQJWKCL-MRXNPFEDSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(C)cc(C)nc2Cl)CC1	ZINC000181957265	199366765	/nfs/dbraw/zinc/36/67/65/199366765.db2.gz	WEVQWVRZXZYRTM-UHFFFAOYSA-N	0	3	307.825	2.732	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC2(F)F)cc1	ZINC000588784864	398508071	/nfs/dbraw/zinc/50/80/71/398508071.db2.gz	YMWZBHWUTYDEMI-KGLIPLIRSA-N	0	3	303.312	2.545	20	30		DFEDHN
Cc1ccc(N2CC[C@H](CN(C)Cc3cccnc3)C2)nc1C#N	ZINC000588829770	398510558	/nfs/dbraw/zinc/51/05/58/398510558.db2.gz	YGAMWCZPMLGHIK-QGZVFWFLSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCN1CCN(Cc2ccc(Br)cc2C#N)C[C@@H]1C	ZINC000311651219	398514791	/nfs/dbraw/zinc/51/47/91/398514791.db2.gz	UGSZQNDBGQVFNF-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2ncc(Br)cc2C#N)CCN1C	ZINC000311108741	398515004	/nfs/dbraw/zinc/51/50/04/398515004.db2.gz	DTNFFHLGJCXWCC-BXKDBHETSA-N	0	3	309.211	2.610	20	30		DFEDHN
CCc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1	ZINC000592998769	398517064	/nfs/dbraw/zinc/51/70/64/398517064.db2.gz	VQUWPGBMVAOVQD-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2(C#N)CCCCC2)C1	ZINC000596869557	398519116	/nfs/dbraw/zinc/51/91/16/398519116.db2.gz	SYTCBNBMSXTCRN-JKSUJKDBSA-N	0	3	318.465	2.586	20	30		DFEDHN
C=CCCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000279644001	215028810	/nfs/dbraw/zinc/02/88/10/215028810.db2.gz	VZNJEDHIKVCYKX-UHFFFAOYSA-N	0	3	316.449	2.916	20	30		DFEDHN
C[C@@H](CO)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1	ZINC000593024662	398523043	/nfs/dbraw/zinc/52/30/43/398523043.db2.gz	JNUPHAVXLIKVSS-LBPRGKRZSA-N	0	3	303.362	2.592	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)cc2OC(C)C)CC1	ZINC000272664252	210069717	/nfs/dbraw/zinc/06/97/17/210069717.db2.gz	RZTHAZDJPKNRSS-UHFFFAOYSA-N	0	3	318.392	2.897	20	30		DFEDHN
C=CCC(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000315041734	398523213	/nfs/dbraw/zinc/52/32/13/398523213.db2.gz	BGROJHOUSRBHRE-UHFFFAOYSA-N	0	3	306.431	2.524	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596910260	398527886	/nfs/dbraw/zinc/52/78/86/398527886.db2.gz	YXLOIWFGLZKGHB-NEPJUHHUSA-N	0	3	321.371	2.687	20	30		DFEDHN
CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@H]1CCN(CC)C1	ZINC000596927746	398531104	/nfs/dbraw/zinc/53/11/04/398531104.db2.gz	HOIIFPLZROLQNC-INIZCTEOSA-N	0	3	300.406	2.815	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2ccc(C(N)=O)cc2)CC1	ZINC000091579064	398535976	/nfs/dbraw/zinc/53/59/76/398535976.db2.gz	UCMGNHASRGXGAP-OAHLLOKOSA-N	0	3	301.434	2.652	20	30		DFEDHN
CC(C)C(CNCCS(=O)(=O)c1ccc(C#N)cc1)C(C)C	ZINC000318442511	398538464	/nfs/dbraw/zinc/53/84/64/398538464.db2.gz	GDOUSXASXWGYQZ-UHFFFAOYSA-N	0	3	322.474	2.850	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN(CCC#N)CC1CC1	ZINC000596994985	398542714	/nfs/dbraw/zinc/54/27/14/398542714.db2.gz	GWONUSKHTMELLP-FUHWJXTLSA-N	0	3	316.449	2.996	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCc3nccn3C2)c(C(F)(F)F)c1	ZINC000589311519	398544862	/nfs/dbraw/zinc/54/48/62/398544862.db2.gz	HPRYWWQTTUGUJR-CYBMUJFWSA-N	0	3	320.318	2.878	20	30		DFEDHN
CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C#N	ZINC000321627179	398553940	/nfs/dbraw/zinc/55/39/40/398553940.db2.gz	VDVQMNBHKGNXRF-KRWDZBQOSA-N	0	3	314.360	2.569	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000092069639	398557641	/nfs/dbraw/zinc/55/76/41/398557641.db2.gz	XJCXMRQCBDFLKC-KRWDZBQOSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(Cn2ccnn2)CC1	ZINC000092098317	398558324	/nfs/dbraw/zinc/55/83/24/398558324.db2.gz	SXMIXGUUPTVJFX-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccnc(C#N)c2)C1	ZINC000323870254	398561663	/nfs/dbraw/zinc/56/16/63/398561663.db2.gz	ZIGKODVPSQBLMX-KRWDZBQOSA-N	0	3	320.440	2.907	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000069339838	398565642	/nfs/dbraw/zinc/56/56/42/398565642.db2.gz	RIPHBEVWFRIHKG-OAHLLOKOSA-N	0	3	320.433	2.684	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC(C)(C#N)CC1	ZINC000597083527	398563954	/nfs/dbraw/zinc/56/39/54/398563954.db2.gz	IPNYFCPSFPZBIJ-DOTOQJQBSA-N	0	3	316.449	2.996	20	30		DFEDHN
CC(=O)Nc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000041574298	398569802	/nfs/dbraw/zinc/56/98/02/398569802.db2.gz	JXGJFWPBKXIDLM-HNNXBMFYSA-N	0	3	308.341	2.542	20	30		DFEDHN
N#Cc1cccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1	ZINC000589755414	398575296	/nfs/dbraw/zinc/57/52/96/398575296.db2.gz	GHBNPWDBMMIUAB-INIZCTEOSA-N	0	3	318.380	2.578	20	30		DFEDHN
Cc1nn(C)c(C)c1C[C@@H](C)NCc1cccc(F)c1C#N	ZINC000589821358	398577115	/nfs/dbraw/zinc/57/71/15/398577115.db2.gz	QHXVTHWXTHOQSM-LLVKDONJSA-N	0	3	300.381	2.769	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1	ZINC000597169762	398581572	/nfs/dbraw/zinc/58/15/72/398581572.db2.gz	XSOVNOYRRLXQDP-UHFFFAOYSA-N	0	3	319.355	2.607	20	30		DFEDHN
COc1cc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1C#N	ZINC000589938884	398584260	/nfs/dbraw/zinc/58/42/60/398584260.db2.gz	BQHIWFBAAYQMGA-JSGCOSHPSA-N	0	3	314.307	2.502	20	30		DFEDHN
N#C[C@H]1CCCC[C@H]1NC1CCN(C(=O)c2ccoc2)CC1	ZINC000597199664	398588658	/nfs/dbraw/zinc/58/86/58/398588658.db2.gz	VNWPOWWZEHZLHB-CZUORRHYSA-N	0	3	301.390	2.556	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCC[C@@H]1C#N	ZINC000597195625	398587550	/nfs/dbraw/zinc/58/75/50/398587550.db2.gz	LNBXELGMKYZBDG-QKPAOTATSA-N	0	3	302.422	2.560	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H](C(N)=O)[C@H](C)c1ccccc1	ZINC000590000814	398589633	/nfs/dbraw/zinc/58/96/33/398589633.db2.gz	PGEYCHMYMHGUFB-RDTXWAMCSA-N	0	3	307.397	2.614	20	30		DFEDHN
Cc1ccc2oc(CNC[C@@H]3CNc4c(C#N)cnn4C3)cc2c1	ZINC000597209564	398591071	/nfs/dbraw/zinc/59/10/71/398591071.db2.gz	LNFRTXSPGKCXJZ-CYBMUJFWSA-N	0	3	321.384	2.641	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CCC(C3CC3)CC2)cc1	ZINC000590008659	398590121	/nfs/dbraw/zinc/59/01/21/398590121.db2.gz	PFCJSYWJLZNFPO-GOSISDBHSA-N	0	3	314.429	2.614	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)c1snc(Cl)c1C#N	ZINC000092686577	398594580	/nfs/dbraw/zinc/59/45/80/398594580.db2.gz	BNNAEKPBRGVWRR-UHFFFAOYSA-N	0	3	321.837	2.631	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccsc1	ZINC000590154424	398601406	/nfs/dbraw/zinc/60/14/06/398601406.db2.gz	BKXBZDRRWNHGKR-AWEZNQCLSA-N	0	3	305.447	2.941	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)CC2(C#N)CC2)N2CCCC2)cc1	ZINC000590194537	398605245	/nfs/dbraw/zinc/60/52/45/398605245.db2.gz	AXARSVOJNGNZHC-QGZVFWFLSA-N	0	3	311.429	2.942	20	30		DFEDHN
N#CCCOCCN[C@@H](CN1CCCCC1)c1ccccc1	ZINC000590173396	398603307	/nfs/dbraw/zinc/60/33/07/398603307.db2.gz	HPHLVWYNGMHSIX-SFHVURJKSA-N	0	3	301.434	2.733	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)CC1(C#N)CC1)C1CC1	ZINC000590332700	398614580	/nfs/dbraw/zinc/61/45/80/398614580.db2.gz	LXIBMSWYILOAKD-KRWDZBQOSA-N	0	3	311.429	2.707	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(C)CC1	ZINC000043180052	398615566	/nfs/dbraw/zinc/61/55/66/398615566.db2.gz	KXTWNZAXJKSDRG-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
COCCN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1	ZINC000072497083	398616335	/nfs/dbraw/zinc/61/63/35/398616335.db2.gz	UGFKDCXMSAJADX-JTQLQIEISA-N	0	3	300.280	2.736	20	30		DFEDHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597331716	398622296	/nfs/dbraw/zinc/62/22/96/398622296.db2.gz	ZXLPRWKONPXSEV-QWHCGFSZSA-N	0	3	319.355	2.535	20	30		DFEDHN
COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000093279893	398627922	/nfs/dbraw/zinc/62/79/22/398627922.db2.gz	JWWDCQIYBMSEQG-INIZCTEOSA-N	0	3	300.402	2.969	20	30		DFEDHN
C=CCN1CCC(Nc2ccnc(C(=O)OC(C)(C)C)c2)CC1	ZINC000593460055	398634712	/nfs/dbraw/zinc/63/47/12/398634712.db2.gz	BAGRNRIBBIRGIJ-UHFFFAOYSA-N	0	3	317.433	2.521	20	30		DFEDHN
CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(Cc2ccccc2)CC1	ZINC000177856041	186194282	/nfs/dbraw/zinc/19/42/82/186194282.db2.gz	GPYBAOSVDYRTSA-UHFFFAOYSA-N	0	3	322.412	2.623	20	30		DFEDHN
Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)c(CN(C)C)c1	ZINC000072839560	398641156	/nfs/dbraw/zinc/64/11/56/398641156.db2.gz	GXNYDMRXXMDAGX-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc(F)cc1C#N	ZINC000177894371	186200328	/nfs/dbraw/zinc/20/03/28/186200328.db2.gz	NJLYKGWDASCGHD-LBPRGKRZSA-N	0	3	304.369	2.503	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1OC	ZINC000093482762	398639596	/nfs/dbraw/zinc/63/95/96/398639596.db2.gz	AXUWXICFCNLRQE-GDBMZVCRSA-N	0	3	305.418	2.995	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000590631082	398641873	/nfs/dbraw/zinc/64/18/73/398641873.db2.gz	MJOBCIODSYMGEF-VKJFTORMSA-N	0	3	301.434	2.546	20	30		DFEDHN
N#CCN1CCC(N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000590645811	398644621	/nfs/dbraw/zinc/64/46/21/398644621.db2.gz	RSMFMKZHDUESFX-ZDUSSCGKSA-N	0	3	309.335	2.669	20	30		DFEDHN
N#CCN1CCC(N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000590645810	398645026	/nfs/dbraw/zinc/64/50/26/398645026.db2.gz	RSMFMKZHDUESFX-CYBMUJFWSA-N	0	3	309.335	2.669	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CCC[C@H](N4CCCC4)C3)cc2)CC1	ZINC000364937644	398647294	/nfs/dbraw/zinc/64/72/94/398647294.db2.gz	SYNWFMZVVWRDEY-SFHVURJKSA-N	0	3	323.440	2.942	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2coc3ccccc23)CC1	ZINC000265132455	186334937	/nfs/dbraw/zinc/33/49/37/186334937.db2.gz	KRZPMDVZJNDLAB-UHFFFAOYSA-N	0	3	313.401	2.882	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N[C@@H](CO)CN2CCCCC2)n1	ZINC000590702045	398655053	/nfs/dbraw/zinc/65/50/53/398655053.db2.gz	RHPAAYRITPTHOR-OAHLLOKOSA-N	0	3	316.449	2.509	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)c1cccc(CC#N)c1	ZINC000044951167	398657490	/nfs/dbraw/zinc/65/74/90/398657490.db2.gz	KCBFZGSBIMINPU-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)[C@@H](C)c2cccnc2)CC1	ZINC000172150966	198047233	/nfs/dbraw/zinc/04/72/33/198047233.db2.gz	OCNZKVMPHPPZNE-HNNXBMFYSA-N	0	3	316.449	2.825	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@H](CC)c2ccncc2)CC1	ZINC000172384079	198089613	/nfs/dbraw/zinc/08/96/13/198089613.db2.gz	MXWMRKREJKVMCK-QGZVFWFLSA-N	0	3	316.449	2.825	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2coc(-c3ccccc3)n2)CC1	ZINC000172349840	198083453	/nfs/dbraw/zinc/08/34/53/198083453.db2.gz	JZUUHPWJMBTXFU-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000597603804	398667577	/nfs/dbraw/zinc/66/75/77/398667577.db2.gz	DXMZTGZCXASQGM-YJBOKZPZSA-N	0	3	313.445	2.680	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000597603793	398667731	/nfs/dbraw/zinc/66/77/31/398667731.db2.gz	DXMZTGZCXASQGM-CRAIPNDOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000597606224	398667764	/nfs/dbraw/zinc/66/77/64/398667764.db2.gz	VIDNVJZFYGIWQJ-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
COc1ccc(CNCc2ccc3c(c2)OCCO3)cc1C#N	ZINC000172688277	198136976	/nfs/dbraw/zinc/13/69/76/198136976.db2.gz	KESIPARSJHKIAO-UHFFFAOYSA-N	0	3	310.353	2.628	20	30		DFEDHN
C#C[C@H](NC(=O)N(CC)Cc1ccc(CN(C)C)cc1)C(C)C	ZINC000280983698	334975016	/nfs/dbraw/zinc/97/50/16/334975016.db2.gz	BOCJZPYUWTYCOV-SFHVURJKSA-N	0	3	315.461	2.938	20	30		DFEDHN
CSc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1	ZINC000597706600	398683828	/nfs/dbraw/zinc/68/38/28/398683828.db2.gz	XQHCUFAJUFKGRL-SWLSCSKDSA-N	0	3	305.447	2.677	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000590854941	398687477	/nfs/dbraw/zinc/68/74/77/398687477.db2.gz	GZKASALXUXBPOT-OAHLLOKOSA-N	0	3	300.406	2.749	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCOCCC#N	ZINC000404505827	398692086	/nfs/dbraw/zinc/69/20/86/398692086.db2.gz	MRSMCEPAKYKIEP-KSZLIROESA-N	0	3	315.461	2.900	20	30		DFEDHN
CCN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCCOC1	ZINC000593816277	398692601	/nfs/dbraw/zinc/69/26/01/398692601.db2.gz	VYCJVPCGZCLEIG-IRXDYDNUSA-N	0	3	300.402	2.786	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)CSc1ccc(C#N)cc1	ZINC000593883388	398699637	/nfs/dbraw/zinc/69/96/37/398699637.db2.gz	MMMFXWXDPRXKTL-UHFFFAOYSA-N	0	3	317.458	2.595	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F	ZINC000593917753	398703148	/nfs/dbraw/zinc/70/31/48/398703148.db2.gz	JPCWKGDVFOWATD-WBVHZDCISA-N	0	3	317.408	2.770	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000597864304	398707644	/nfs/dbraw/zinc/70/76/44/398707644.db2.gz	MNNXPPBIPDGYOZ-YOEHRIQHSA-N	0	3	318.380	2.555	20	30		DFEDHN
C[C@H](CCC#N)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000591013320	398714724	/nfs/dbraw/zinc/71/47/24/398714724.db2.gz	FXUWESOAAQKLDU-UKRRQHHQSA-N	0	3	317.437	2.535	20	30		DFEDHN
N#CC1(CCN2CCC(N3CCCNC3=O)CC2)CCCCC1	ZINC000591019633	398715365	/nfs/dbraw/zinc/71/53/65/398715365.db2.gz	JFWHRJMZAXSVQE-UHFFFAOYSA-N	0	3	318.465	2.730	20	30		DFEDHN
CC[C@H](N[C@@H](C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000591024252	398717246	/nfs/dbraw/zinc/71/72/46/398717246.db2.gz	HQOOSDNMGWYKLQ-ZFWWWQNUSA-N	0	3	303.406	2.544	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2ccc(OC)c(C#N)c2)CC1	ZINC000594021926	398723933	/nfs/dbraw/zinc/72/39/33/398723933.db2.gz	ZVTUXDWFZANKIL-UHFFFAOYSA-N	0	3	301.434	2.873	20	30		DFEDHN
N#Cc1ccncc1NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000277006859	213236559	/nfs/dbraw/zinc/23/65/59/213236559.db2.gz	IQMVGHRVWHDDOK-GOSISDBHSA-N	0	3	322.412	2.656	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000276998821	213230506	/nfs/dbraw/zinc/23/05/06/213230506.db2.gz	YYOCUBUGNDHMJQ-LJQANCHMSA-N	0	3	318.461	2.888	20	30		DFEDHN
CN1CCC(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000074220470	398731961	/nfs/dbraw/zinc/73/19/61/398731961.db2.gz	MROVYMZGHCOBCX-QZTJIDSGSA-N	0	3	311.429	2.627	20	30		DFEDHN
CN1CCC(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000074220472	398732213	/nfs/dbraw/zinc/73/22/13/398732213.db2.gz	MROVYMZGHCOBCX-MSOLQXFVSA-N	0	3	311.429	2.627	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C=CCC1	ZINC000047011113	398732537	/nfs/dbraw/zinc/73/25/37/398732537.db2.gz	VDNGKUPPQGNIPQ-INIZCTEOSA-N	0	3	311.429	2.805	20	30		DFEDHN
N#Cc1c(F)ccc(CNC[C@@H]2CCc3nccn3C2)c1Cl	ZINC000365499460	283074634	/nfs/dbraw/zinc/07/46/34/283074634.db2.gz	ZSGNIGOMKUBGOV-NSHDSACASA-N	0	3	318.783	2.899	20	30		DFEDHN
N#CCc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000594060594	398735423	/nfs/dbraw/zinc/73/54/23/398735423.db2.gz	VLQRXLDGKNBEKS-IRXDYDNUSA-N	0	3	312.417	2.891	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CCCN(C2CC2)CC1	ZINC000181496580	283087112	/nfs/dbraw/zinc/08/71/12/283087112.db2.gz	YNVUECKVYLVTGD-UHFFFAOYSA-N	0	3	320.234	2.995	20	30		DFEDHN
CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCN(CC)C1	ZINC000598038234	398742007	/nfs/dbraw/zinc/74/20/07/398742007.db2.gz	BAFNEPNTJIQRIM-MSOLQXFVSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@@H]1COC2(CCC2)CN1C(=O)C(C#N)CCc1ccccc1	ZINC000598053645	398744802	/nfs/dbraw/zinc/74/48/02/398744802.db2.gz	FZKSPANIAPTFFK-NVXWUHKLSA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@@H](NC(=O)NCc1ccc2c(c1)CNC2)c1ccc(C#N)cc1	ZINC000591342178	398750801	/nfs/dbraw/zinc/75/08/01/398750801.db2.gz	GIAQFUQFLISCPX-CYBMUJFWSA-N	0	3	320.396	2.722	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)CCN1CCc2ccccc2C1	ZINC000598086884	398751061	/nfs/dbraw/zinc/75/10/61/398751061.db2.gz	VMFILBZNYOIGDR-FUHWJXTLSA-N	0	3	311.429	2.633	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)cc1	ZINC000378088994	283124152	/nfs/dbraw/zinc/12/41/52/283124152.db2.gz	MTWKBSZDADBTRP-IBGZPJMESA-N	0	3	319.408	2.953	20	30		DFEDHN
COc1ccccc1[C@H](N)CNc1nc2c(cc1C#N)CCCC2	ZINC000591424785	398758558	/nfs/dbraw/zinc/75/85/58/398758558.db2.gz	XMLNOYGPWZODQR-MRXNPFEDSA-N	0	3	322.412	2.953	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c(F)c1	ZINC000594195953	398762870	/nfs/dbraw/zinc/76/28/70/398762870.db2.gz	JJIYKRXOJNFYOJ-GJZGRUSLSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2)CC1	ZINC000594197461	398763537	/nfs/dbraw/zinc/76/35/37/398763537.db2.gz	OIBLCVOMVHPAHB-MSOLQXFVSA-N	0	3	323.440	2.988	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1	ZINC000594202819	398765031	/nfs/dbraw/zinc/76/50/31/398765031.db2.gz	SIEICXOZBJSEJC-QZTJIDSGSA-N	0	3	311.429	2.624	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc(OC(F)F)cc2)C1=O	ZINC000281394017	334982339	/nfs/dbraw/zinc/98/23/39/334982339.db2.gz	ZSFGYPKGISBEIT-RISCZKNCSA-N	0	3	310.344	2.726	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594229529	398769738	/nfs/dbraw/zinc/76/97/38/398769738.db2.gz	GBLDOVPQJHMQSJ-HZPDHXFCSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCNC1	ZINC000591590083	398774305	/nfs/dbraw/zinc/77/43/05/398774305.db2.gz	QKEGTVKYJSABGU-IBGZPJMESA-N	0	3	321.380	2.707	20	30		DFEDHN
Cc1ccc(C)c2sc(NC(=O)[C@H](N)CCCC#N)nc21	ZINC000591590880	398774457	/nfs/dbraw/zinc/77/44/57/398774457.db2.gz	ULVOOENBVWDTFE-LLVKDONJSA-N	0	3	302.403	2.873	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCCCN1C1CC1)C2	ZINC000594241824	398772829	/nfs/dbraw/zinc/77/28/29/398772829.db2.gz	IDYLIFSLHFOUHN-SFHVURJKSA-N	0	3	324.428	2.600	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)s1	ZINC000598220487	398773378	/nfs/dbraw/zinc/77/33/78/398773378.db2.gz	PVDRWNMRBSNYOC-GFCCVEGCSA-N	0	3	303.431	2.757	20	30		DFEDHN
C[C@@]1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000598221776	398774063	/nfs/dbraw/zinc/77/40/63/398774063.db2.gz	WTCAKDLXNCDZSI-GOEBONIOSA-N	0	3	317.339	2.792	20	30		DFEDHN
CC(C)N1CCCN(C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000074918606	398775229	/nfs/dbraw/zinc/77/52/29/398775229.db2.gz	DVHVVIXTBKTEIK-HNNXBMFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
Cc1csc(-c2ccc(NC(=O)[C@]3(C#N)CCNC3)cc2)n1	ZINC000591604139	398775304	/nfs/dbraw/zinc/77/53/04/398775304.db2.gz	FFRNOOMXORZKQX-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
COc1ccccc1[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N	ZINC000591608199	398776210	/nfs/dbraw/zinc/77/62/10/398776210.db2.gz	RUDGVPYJBLECLX-JKSUJKDBSA-N	0	3	315.417	2.770	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@]2(C#N)CCNC2)C1	ZINC000591640770	398778777	/nfs/dbraw/zinc/77/87/77/398778777.db2.gz	MVAOSFAQJLZRNR-LPHOPBHVSA-N	0	3	311.429	2.710	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594299701	398781288	/nfs/dbraw/zinc/78/12/88/398781288.db2.gz	NRNLQPYQEKMGLN-QAPCUYQASA-N	0	3	313.445	2.727	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@H]2CCc3cc(C#N)ccc32)cc1	ZINC000591763694	398785471	/nfs/dbraw/zinc/78/54/71/398785471.db2.gz	CEHLXABTASRVQQ-XLIONFOSSA-N	0	3	322.408	2.884	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000594342103	398785221	/nfs/dbraw/zinc/78/52/21/398785221.db2.gz	XZTVMJBRRNGTAZ-GJZGRUSLSA-N	0	3	311.429	2.503	20	30		DFEDHN
CCCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1	ZINC000594374018	398789126	/nfs/dbraw/zinc/78/91/26/398789126.db2.gz	LIHNYRYZMRHEGB-CRAIPNDOSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC000594403081	398793233	/nfs/dbraw/zinc/79/32/33/398793233.db2.gz	DYXVGJCSGFGNGZ-GASCZTMLSA-N	0	3	311.429	2.926	20	30		DFEDHN
N#CC(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccccn1	ZINC000049457242	398795279	/nfs/dbraw/zinc/79/52/79/398795279.db2.gz	LRTDDDXEKDGYQX-LBPRGKRZSA-N	0	3	306.281	2.961	20	30		DFEDHN
C#CCN(C)C[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000276913028	213171490	/nfs/dbraw/zinc/17/14/90/213171490.db2.gz	GALKKCZVXYFNGT-IBGZPJMESA-N	0	3	309.409	2.719	20	30		DFEDHN
CCOc1ccc(OCC)c(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594426778	398797814	/nfs/dbraw/zinc/79/78/14/398797814.db2.gz	RZJUXBKNNWQJAH-AWEZNQCLSA-N	0	3	319.405	2.834	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000594424857	398797890	/nfs/dbraw/zinc/79/78/90/398797890.db2.gz	DBKVMLRIOCDGJS-CYBMUJFWSA-N	0	3	313.323	2.733	20	30		DFEDHN
COc1ccc(CN(C(=O)[C@@H](N)CCCCC#N)C2CC2)cc1	ZINC000594424520	398798077	/nfs/dbraw/zinc/79/80/77/398798077.db2.gz	ALXYNTZMBXLCCJ-KRWDZBQOSA-N	0	3	315.417	2.597	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594425514	398798088	/nfs/dbraw/zinc/79/80/88/398798088.db2.gz	KENCZDSNPMDQTK-SJORKVTESA-N	0	3	315.417	2.770	20	30		DFEDHN
COc1cccc2sc(NC(=O)[C@@H](N)CCCCC#N)nc21	ZINC000594425930	398797627	/nfs/dbraw/zinc/79/76/27/398797627.db2.gz	MXMMVCPUPMWDRS-JTQLQIEISA-N	0	3	318.402	2.655	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1	ZINC000594429660	398799323	/nfs/dbraw/zinc/79/93/23/398799323.db2.gz	VKFHIUSDEMCYNP-INIZCTEOSA-N	0	3	321.371	2.867	20	30		DFEDHN
CCOc1cccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594431229	398799469	/nfs/dbraw/zinc/79/94/69/398799469.db2.gz	JXCHDPVIMAISMV-BBRMVZONSA-N	0	3	303.406	2.674	20	30		DFEDHN
Cc1nccc(-c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)n1	ZINC000594430109	398799630	/nfs/dbraw/zinc/79/96/30/398799630.db2.gz	VUXAQEJXRLKGNF-MRXNPFEDSA-N	0	3	323.400	2.802	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1	ZINC000594429719	398799747	/nfs/dbraw/zinc/79/97/47/398799747.db2.gz	VSCFWZNFIYNZDZ-HOTGVXAUSA-N	0	3	303.381	2.900	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccc(F)cc21	ZINC000594429498	398799764	/nfs/dbraw/zinc/79/97/64/398799764.db2.gz	QOENAYSCOTWDGW-ZIAGYGMSSA-N	0	3	321.421	2.890	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)[C@H](N)CCCCC#N)c(F)c1	ZINC000594430998	398799866	/nfs/dbraw/zinc/79/98/66/398799866.db2.gz	FLNBDTVALSEHOX-CQSZACIVSA-N	0	3	307.369	2.963	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1F	ZINC000594433221	398800222	/nfs/dbraw/zinc/80/02/22/398800222.db2.gz	MJJAMQZAJBODFP-DZGCQCFKSA-N	0	3	321.396	2.511	20	30		DFEDHN
COc1ccc(C(C)(C)CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594431697	398800587	/nfs/dbraw/zinc/80/05/87/398800587.db2.gz	PTESUWFNCMFSQP-MRXNPFEDSA-N	0	3	317.433	2.500	20	30		DFEDHN
CCC(=O)CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000276854030	213135521	/nfs/dbraw/zinc/13/55/21/213135521.db2.gz	JLFZPSGUBACZBJ-UHFFFAOYSA-N	0	3	313.401	2.578	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccccc1OCC1CC1	ZINC000594433343	398800744	/nfs/dbraw/zinc/80/07/44/398800744.db2.gz	NYBPGDFZXXXLHC-AWEZNQCLSA-N	0	3	301.390	2.825	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@H]1SCCc2ccccc21	ZINC000594433003	398800373	/nfs/dbraw/zinc/80/03/73/398800373.db2.gz	IYNAUUCYLHOZNU-JKSUJKDBSA-N	0	3	317.458	2.544	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCCC#N)C12CCCCC2	ZINC000594433767	398801147	/nfs/dbraw/zinc/80/11/47/398801147.db2.gz	SHQUIYMEDRHWLX-HRCADAONSA-N	0	3	321.465	2.642	20	30		DFEDHN
Cc1ccc(C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594435050	398801170	/nfs/dbraw/zinc/80/11/70/398801170.db2.gz	ZTMGENYNAGDNCW-INIZCTEOSA-N	0	3	301.434	2.800	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594435044	398801346	/nfs/dbraw/zinc/80/13/46/398801346.db2.gz	ZQLSKPNQVQOLPG-ABAIWWIYSA-N	0	3	309.360	2.596	20	30		DFEDHN
CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594438856	398802215	/nfs/dbraw/zinc/80/22/15/398802215.db2.gz	QBIWDKXKCUGZOB-ZDUSSCGKSA-N	0	3	306.385	2.996	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1	ZINC000050030166	398802873	/nfs/dbraw/zinc/80/28/73/398802873.db2.gz	CPFZYFPJGFVUFS-CQSZACIVSA-N	0	3	316.470	2.931	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)n1	ZINC000594436593	398802497	/nfs/dbraw/zinc/80/24/97/398802497.db2.gz	DJFLQGLVTMMOEL-KGLIPLIRSA-N	0	3	320.462	2.569	20	30		DFEDHN
CCCN1Cc2cccc(NC(=O)[C@H](N)CCCCC#N)c2C1	ZINC000594438230	398802561	/nfs/dbraw/zinc/80/25/61/398802561.db2.gz	NHQGDUZYYYAJRD-MRXNPFEDSA-N	0	3	314.433	2.762	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1ccncc1	ZINC000594441599	398803145	/nfs/dbraw/zinc/80/31/45/398803145.db2.gz	TVUPKXQKBCIUAH-QZTJIDSGSA-N	0	3	322.412	2.698	20	30		DFEDHN
Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H](N)CCCCC#N	ZINC000594439276	398803233	/nfs/dbraw/zinc/80/32/33/398803233.db2.gz	PABNPJWMMPCNNJ-INIZCTEOSA-N	0	3	312.417	2.546	20	30		DFEDHN
CC(C)Nc1ccc(F)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594441007	398803352	/nfs/dbraw/zinc/80/33/52/398803352.db2.gz	KTYIPSLZZZUTCX-ZDUSSCGKSA-N	0	3	306.385	2.996	20	30		DFEDHN
CN(Cc1cc(Cl)ccc1F)C(=O)[C@@H](N)CCCCC#N	ZINC000594444967	398803930	/nfs/dbraw/zinc/80/39/30/398803930.db2.gz	GWSCFBBTSLVVBV-AWEZNQCLSA-N	0	3	311.788	2.849	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OC(F)F	ZINC000594443457	398803775	/nfs/dbraw/zinc/80/37/75/398803775.db2.gz	HWXSDAVOWCQOFS-LBPRGKRZSA-N	0	3	311.332	2.946	20	30		DFEDHN
COCCC1(CNC(=O)[C@@H](N)CCCCC#N)CCCCC1	ZINC000594445932	398804918	/nfs/dbraw/zinc/80/49/18/398804918.db2.gz	MPQYTVMGSQZLNC-HNNXBMFYSA-N	0	3	309.454	2.501	20	30		DFEDHN
COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OC(C)C	ZINC000594456407	398806411	/nfs/dbraw/zinc/80/64/11/398806411.db2.gz	PEOFCIISUVXYNF-AWEZNQCLSA-N	0	3	319.405	2.832	20	30		DFEDHN
CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594496537	398810355	/nfs/dbraw/zinc/81/03/55/398810355.db2.gz	MYQVXXJOKVKLKO-KGLIPLIRSA-N	0	3	301.434	2.881	20	30		DFEDHN
C[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1F	ZINC000594499951	398810958	/nfs/dbraw/zinc/81/09/58/398810958.db2.gz	IFCNYPJCNBOKHM-CZUORRHYSA-N	0	3	317.408	2.601	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C3CCCCC3)n[nH]2)CC1	ZINC000179344607	199018748	/nfs/dbraw/zinc/01/87/48/199018748.db2.gz	JEOAVQXVYLZOGF-UHFFFAOYSA-N	0	3	316.449	2.838	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1	ZINC000179450092	199036848	/nfs/dbraw/zinc/03/68/48/199036848.db2.gz	IYJQOQWGZUSJJE-DNVCBOLYSA-N	0	3	310.441	2.771	20	30		DFEDHN
N#Cc1cccc(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-]	ZINC000594598038	398827864	/nfs/dbraw/zinc/82/78/64/398827864.db2.gz	GBFSJGAWBNBQTE-ZFWWWQNUSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCCCCCNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000594576977	398823240	/nfs/dbraw/zinc/82/32/40/398823240.db2.gz	IHIZKVFHBGZLDI-UHFFFAOYSA-N	0	3	306.431	2.668	20	30		DFEDHN
CCC(C)(C)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000594593874	398826516	/nfs/dbraw/zinc/82/65/16/398826516.db2.gz	FRSPUBZJGZLUGY-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
N#Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-]	ZINC000594603883	398829676	/nfs/dbraw/zinc/82/96/76/398829676.db2.gz	WHXYGORVXHIVRJ-GDBMZVCRSA-N	0	3	300.362	2.895	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN(C)CCCCc1ccccc1	ZINC000052037427	398830620	/nfs/dbraw/zinc/83/06/20/398830620.db2.gz	COBGJJICGPQYMW-IBGZPJMESA-N	0	3	315.461	2.996	20	30		DFEDHN
COc1ccc(CN(C[C@H](C)O)C2CC2)cc1OCCCC#N	ZINC000594613805	398832804	/nfs/dbraw/zinc/83/28/04/398832804.db2.gz	DNCBRVNSKBWBIY-AWEZNQCLSA-N	0	3	318.417	2.723	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCCCc1ccccc1	ZINC000052037424	398830835	/nfs/dbraw/zinc/83/08/35/398830835.db2.gz	COBGJJICGPQYMW-LJQANCHMSA-N	0	3	315.461	2.996	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC(C)C)cc2F)CC1	ZINC000052019983	398830855	/nfs/dbraw/zinc/83/08/55/398830855.db2.gz	SREMOFUBSQHZCM-UHFFFAOYSA-N	0	3	318.392	2.897	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1	ZINC000598585465	398835727	/nfs/dbraw/zinc/83/57/27/398835727.db2.gz	DNMSXMAREPQLAK-QZTJIDSGSA-N	0	3	316.445	2.968	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](c1ccc(Br)cc1)C1CC1	ZINC000180030312	199109394	/nfs/dbraw/zinc/10/93/94/199109394.db2.gz	ICZXECLEZQOTFN-OAHLLOKOSA-N	0	3	323.234	2.792	20	30		DFEDHN
Cc1ccc(C#N)c(NCC2CCN(c3ccncc3)CC2)n1	ZINC000180044703	199110911	/nfs/dbraw/zinc/11/09/11/199110911.db2.gz	YMNIRSWYHDRLAY-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
CC[C@](C)(N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594655755	398838099	/nfs/dbraw/zinc/83/80/99/398838099.db2.gz	BSNMWCKDJREACX-ZDUSSCGKSA-N	0	3	309.295	2.742	20	30		DFEDHN
Cn1c2ccccc2nc1C(C)(C)NC[C@H](O)CC(C)(C)C#N	ZINC000598606288	398840797	/nfs/dbraw/zinc/84/07/97/398840797.db2.gz	ZFXZVGURBIMQPD-CYBMUJFWSA-N	0	3	314.433	2.699	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c(C)c1OC	ZINC000598615405	398841293	/nfs/dbraw/zinc/84/12/93/398841293.db2.gz	AJCAEPWQGZXTFW-KGLIPLIRSA-N	0	3	320.433	2.964	20	30		DFEDHN
CCCCOCCNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180152839	199124020	/nfs/dbraw/zinc/12/40/20/199124020.db2.gz	PRIKSBQPZRABCX-UHFFFAOYSA-N	0	3	312.417	2.865	20	30		DFEDHN
C=CCCSCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O	ZINC000594714363	398847359	/nfs/dbraw/zinc/84/73/59/398847359.db2.gz	YCWMIPHQOCJPDS-AWEZNQCLSA-N	0	3	312.866	2.635	20	30		DFEDHN
C=CCCOCCNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180349170	199148751	/nfs/dbraw/zinc/14/87/51/199148751.db2.gz	RYNXZGGKYYMOFY-UHFFFAOYSA-N	0	3	310.401	2.641	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C	ZINC000076386770	398853513	/nfs/dbraw/zinc/85/35/13/398853513.db2.gz	NFUJNZOCLANWAR-IRXDYDNUSA-N	0	3	313.445	2.935	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1	ZINC000076380879	398853610	/nfs/dbraw/zinc/85/36/10/398853610.db2.gz	HUCDQIDSDXRARC-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2ccc(F)cc21	ZINC000598699913	398857922	/nfs/dbraw/zinc/85/79/22/398857922.db2.gz	JICYWVJHKCCZJN-HIFRSBDPSA-N	0	3	306.381	2.930	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNC[C@H](OC1CCCC1)C(F)(F)F	ZINC000598705201	398858069	/nfs/dbraw/zinc/85/80/69/398858069.db2.gz	GPQHDVAZEXVYOL-AAEUAGOBSA-N	0	3	322.371	2.767	20	30		DFEDHN
CC(C)(C)Oc1cccc(CNC[C@H](O)CC(C)(C)C#N)n1	ZINC000598727624	398863118	/nfs/dbraw/zinc/86/31/18/398863118.db2.gz	YJYQVTWIQBVDAT-CQSZACIVSA-N	0	3	305.422	2.649	20	30		DFEDHN
COc1cc2c(cc1F)CC[C@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598728407	398863300	/nfs/dbraw/zinc/86/33/00/398863300.db2.gz	RUVDUEYHMHRCIF-IUODEOHRSA-N	0	3	306.381	2.712	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000180498676	199166890	/nfs/dbraw/zinc/16/68/90/199166890.db2.gz	TVVYBVKPJSXQQJ-XJKSGUPXSA-N	0	3	309.417	2.939	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccccc1N1CCCC1	ZINC000598721476	398861674	/nfs/dbraw/zinc/86/16/74/398861674.db2.gz	WAFATPBRDRSBKT-MRXNPFEDSA-N	0	3	301.434	2.677	20	30		DFEDHN
Cn1c(CNC[C@H](O)CC(C)(C)C#N)nc2cc(Cl)ccc21	ZINC000598722905	398861705	/nfs/dbraw/zinc/86/17/05/398861705.db2.gz	BQNUYVLPPLDXLU-GFCCVEGCSA-N	0	3	320.824	2.617	20	30		DFEDHN
C[C@@H](CO[C@H]1CCOC1)NCc1ccc(C2(C#N)CC2)cc1	ZINC000594933197	398875123	/nfs/dbraw/zinc/87/51/23/398875123.db2.gz	ZZZFBROINDUCRR-YOEHRIQHSA-N	0	3	300.402	2.525	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)c1	ZINC000594947807	398879210	/nfs/dbraw/zinc/87/92/10/398879210.db2.gz	IYRIQBGUXSVQCD-MOPGFXCFSA-N	0	3	322.412	2.785	20	30		DFEDHN
CO[C@H](CNCc1cccc(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000594954476	398880549	/nfs/dbraw/zinc/88/05/49/398880549.db2.gz	ZYSYQNBZRQXUKJ-SJLPKXTDSA-N	0	3	318.417	2.510	20	30		DFEDHN
CO[C@@H](CNCc1cccc(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000594954472	398880624	/nfs/dbraw/zinc/88/06/24/398880624.db2.gz	ZYSYQNBZRQXUKJ-AEFFLSMTSA-N	0	3	318.417	2.510	20	30		DFEDHN
N#CC1(c2ccc(CNCCOc3ncccc3F)cc2)CC1	ZINC000594958319	398881926	/nfs/dbraw/zinc/88/19/26/398881926.db2.gz	PTCGQHCACGPFHM-UHFFFAOYSA-N	0	3	311.360	2.944	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@H]1CCc1ccccc1	ZINC000077194314	398886688	/nfs/dbraw/zinc/88/66/88/398886688.db2.gz	GDRCTAJCFQXBJV-SFHVURJKSA-N	0	3	313.445	2.846	20	30		DFEDHN
Cn1cc2c(n1)CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000598947776	398895396	/nfs/dbraw/zinc/89/53/96/398895396.db2.gz	MORMDHHNYSITNV-NVXWUHKLSA-N	0	3	322.412	2.686	20	30		DFEDHN
CC(=O)NCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1	ZINC000595062911	398900437	/nfs/dbraw/zinc/90/04/37/398900437.db2.gz	XVXDJVRYIUTOPZ-FQEVSTJZSA-N	0	3	319.408	2.971	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)N[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000595066395	398901244	/nfs/dbraw/zinc/90/12/44/398901244.db2.gz	WTIFUTJQPFHQGS-PXMRGAAZSA-N	0	3	320.408	2.914	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1	ZINC000077456865	398904605	/nfs/dbraw/zinc/90/46/05/398904605.db2.gz	XFVSRUCWENYRHZ-WBVHZDCISA-N	0	3	323.458	2.697	20	30		DFEDHN
Cc1nnc(N2CCN(CCC(C)(C)C)CC2)c(C#N)c1C	ZINC000054838783	398911905	/nfs/dbraw/zinc/91/19/05/398911905.db2.gz	NOAKUENTDUNQJS-UHFFFAOYSA-N	0	3	301.438	2.523	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1F)CC1CC1	ZINC000595259121	398913481	/nfs/dbraw/zinc/91/34/81/398913481.db2.gz	YFNQLQLXMOPIKK-MRXNPFEDSA-N	0	3	303.381	2.585	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1F	ZINC000595256834	398913597	/nfs/dbraw/zinc/91/35/97/398913597.db2.gz	UVBBBCMUKGPDHC-GJZGRUSLSA-N	0	3	319.380	2.519	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1F	ZINC000595256833	398913243	/nfs/dbraw/zinc/91/32/43/398913243.db2.gz	UVBBBCMUKGPDHC-CABCVRRESA-N	0	3	319.380	2.519	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000054981067	398915021	/nfs/dbraw/zinc/91/50/21/398915021.db2.gz	BCEOHYGINDMHEN-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H]1CCN(CCc2ccc(C#N)cc2)C1	ZINC000595333087	398923536	/nfs/dbraw/zinc/92/35/36/398923536.db2.gz	BFBYXMSIWVPNTR-INIZCTEOSA-N	0	3	300.402	2.764	20	30		DFEDHN
CN(CCOCC(F)(F)C(F)F)Cc1cccc(C#N)c1	ZINC000188619052	200275923	/nfs/dbraw/zinc/27/59/23/200275923.db2.gz	DYDSWUFZVSVCCQ-UHFFFAOYSA-N	0	3	304.287	2.907	20	30		DFEDHN
CS[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H]1N1CCCC1	ZINC000595434094	398937453	/nfs/dbraw/zinc/93/74/53/398937453.db2.gz	XVNAWKLSVLSEGH-GVDBMIGSSA-N	0	3	301.459	2.763	20	30		DFEDHN
C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599251813	398943154	/nfs/dbraw/zinc/94/31/54/398943154.db2.gz	YRUYNUHWADUJOJ-WMLDXEAASA-N	0	3	320.408	2.890	20	30		DFEDHN
CN(Cc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CC1	ZINC000599269114	398945490	/nfs/dbraw/zinc/94/54/90/398945490.db2.gz	NXXZILHINBCBRH-AWEZNQCLSA-N	0	3	323.234	2.936	20	30		DFEDHN
CCN(C[C@@H](O)CC1(O)CCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000599270392	398945986	/nfs/dbraw/zinc/94/59/86/398945986.db2.gz	IMWAEYRNZHEVLW-PBHICJAKSA-N	0	3	302.418	2.607	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(OC)c(C#N)c1	ZINC000272005149	209377206	/nfs/dbraw/zinc/37/72/06/209377206.db2.gz	IXWWRNDCJJXVQB-QAPCUYQASA-N	0	3	316.401	2.778	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CNC1(c2ccccc2)CCC1	ZINC000599318256	398953710	/nfs/dbraw/zinc/95/37/10/398953710.db2.gz	RCFVKQBJUMEIKQ-GOSISDBHSA-N	0	3	322.408	2.967	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1OC	ZINC000271973376	209351648	/nfs/dbraw/zinc/35/16/48/209351648.db2.gz	CPRJJXMLKKDZRD-CRAIPNDOSA-N	0	3	316.401	2.778	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1	ZINC000599339241	398956067	/nfs/dbraw/zinc/95/60/67/398956067.db2.gz	KSNLQHVVYFGSLE-INIZCTEOSA-N	0	3	315.373	2.614	20	30		DFEDHN
Cc1ccc(CN(C)CC(C)(C)CN2CCOCC2)cc1C#N	ZINC000599335923	398956184	/nfs/dbraw/zinc/95/61/84/398956184.db2.gz	FQFMZARZSPDONO-UHFFFAOYSA-N	0	3	315.461	2.657	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)ccc1F	ZINC000599346752	398957862	/nfs/dbraw/zinc/95/78/62/398957862.db2.gz	DNMKCUHNHHUETF-JSGCOSHPSA-N	0	3	324.371	2.687	20	30		DFEDHN
CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000271923967	209328315	/nfs/dbraw/zinc/32/83/15/209328315.db2.gz	IQSUABJFDBQFKK-KBXCAEBGSA-N	0	3	319.424	2.705	20	30		DFEDHN
CCCCOCCN1CCCN(c2ccccc2C#N)CC1	ZINC000056284466	398959470	/nfs/dbraw/zinc/95/94/70/398959470.db2.gz	KHZABZZWPDGDGC-UHFFFAOYSA-N	0	3	301.434	2.887	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1	ZINC000599354816	398960023	/nfs/dbraw/zinc/96/00/23/398960023.db2.gz	RHUBBSREOWPBKS-LSDHHAIUSA-N	0	3	303.362	2.690	20	30		DFEDHN
N#Cc1ccc(N2CCC(NCc3cnc(C4CC4)o3)CC2)nc1	ZINC000600135180	398963489	/nfs/dbraw/zinc/96/34/89/398963489.db2.gz	VSIRRXPALWGJBF-UHFFFAOYSA-N	0	3	323.400	2.577	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(C#N)CCCCC1	ZINC000595552528	398967232	/nfs/dbraw/zinc/96/72/32/398967232.db2.gz	MNAPWEHCDYOXCP-HNNXBMFYSA-N	0	3	308.470	2.736	20	30		DFEDHN
CC(=O)Nc1cccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1	ZINC000193430100	201050153	/nfs/dbraw/zinc/05/01/53/201050153.db2.gz	WHNJCOIDZXZUOT-YJYMSZOUSA-N	0	3	323.396	2.901	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)c(C)c1OC	ZINC000599419588	398976221	/nfs/dbraw/zinc/97/62/21/398976221.db2.gz	QNSPXSHXPFXVSM-KGLIPLIRSA-N	0	3	318.417	2.718	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)c(C)c1OC	ZINC000599419587	398976329	/nfs/dbraw/zinc/97/63/29/398976329.db2.gz	QNSPXSHXPFXVSM-KBPBESRZSA-N	0	3	318.417	2.718	20	30		DFEDHN
N#Cc1ccc(CNCc2cccc(N3CCOCC3)c2)s1	ZINC000292862382	223280178	/nfs/dbraw/zinc/28/01/78/223280178.db2.gz	COGONZMXMNCDDY-UHFFFAOYSA-N	0	3	313.426	2.746	20	30		DFEDHN
CCOC(=O)c1cccc(CNCC2CCC(C#N)CC2)n1	ZINC000600157883	398977896	/nfs/dbraw/zinc/97/78/96/398977896.db2.gz	BEUVWEIQXUYJSQ-UHFFFAOYSA-N	0	3	301.390	2.678	20	30		DFEDHN
Cc1ccc(CN2CCC(N3CCOC[C@@H]3C)CC2)cc1C#N	ZINC000599424482	398978420	/nfs/dbraw/zinc/97/84/20/398978420.db2.gz	RBLGYYHDOVTPQZ-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000056554687	398979453	/nfs/dbraw/zinc/97/94/53/398979453.db2.gz	DXTDFZOMPWVOCX-AWEZNQCLSA-N	0	3	305.447	2.550	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2cccs2)C2(CO)CCC2)CC1	ZINC000599435184	398981053	/nfs/dbraw/zinc/98/10/53/398981053.db2.gz	SLNMKDWKBLYRID-DZGCQCFKSA-N	0	3	320.458	2.596	20	30		DFEDHN
Cc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)cc1C#N	ZINC000599438549	398982668	/nfs/dbraw/zinc/98/26/68/398982668.db2.gz	ORZXVCDUCRISIN-UHFFFAOYSA-N	0	3	323.440	2.637	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000595615788	399002344	/nfs/dbraw/zinc/00/23/44/399002344.db2.gz	TYXQMOMETUAAMU-AWEZNQCLSA-N	0	3	302.374	2.810	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)N2CCc3ccccc3C2)C1	ZINC000595623158	399006170	/nfs/dbraw/zinc/00/61/70/399006170.db2.gz	JHAOKRBLZXYQRE-MRXNPFEDSA-N	0	3	311.429	2.587	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@H](CC#N)C2)C1	ZINC000595623391	399005844	/nfs/dbraw/zinc/00/58/44/399005844.db2.gz	OQSVOQMAGZCVLL-CVEARBPZSA-N	0	3	305.466	2.897	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000079008027	399008227	/nfs/dbraw/zinc/00/82/27/399008227.db2.gz	UWWOBRHCMRDCLW-RDJZCZTQSA-N	0	3	314.433	2.625	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CCCC(C)(C)C#N)C1	ZINC000595627607	399009167	/nfs/dbraw/zinc/00/91/67/399009167.db2.gz	RIMARICCERNCEP-NEPJUHHUSA-N	0	3	320.355	2.990	20	30		DFEDHN
C[C@H]1C[C@H](CN2CCN(c3ccsc3C#N)CC2)CCO1	ZINC000595629831	399010351	/nfs/dbraw/zinc/01/03/51/399010351.db2.gz	MUEKGTBCIPYISO-UONOGXRCSA-N	0	3	305.447	2.557	20	30		DFEDHN
CC1(C)C[C@H](N(CCOCCC#N)Cc2ccccc2)CO1	ZINC000595637952	399013668	/nfs/dbraw/zinc/01/36/68/399013668.db2.gz	OCDFUTULWRUMEE-KRWDZBQOSA-N	0	3	302.418	2.986	20	30		DFEDHN
C[C@@H]1CN(CCCSCC#N)CC[C@H]1C(=O)OC(C)(C)C	ZINC000599588497	399022192	/nfs/dbraw/zinc/02/21/92/399022192.db2.gz	PJYCLMBDGWXWFI-ZIAGYGMSSA-N	0	3	312.479	2.933	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(CCC(C)(C)C)CC1	ZINC000079216042	399025712	/nfs/dbraw/zinc/02/57/12/399025712.db2.gz	ZKUVODNALURETO-KRWDZBQOSA-N	0	3	321.509	2.629	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)cc1Cl	ZINC000367066583	299359058	/nfs/dbraw/zinc/35/90/58/299359058.db2.gz	JUHNNADZDVGPIL-UDTVLSCZSA-N	0	3	317.820	2.919	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](OCCOCC)C2)cc1	ZINC000092067482	193151824	/nfs/dbraw/zinc/15/18/24/193151824.db2.gz	TWYLPMUJJISEDS-IBGZPJMESA-N	0	3	317.429	2.716	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]21	ZINC000599655334	399046460	/nfs/dbraw/zinc/04/64/60/399046460.db2.gz	PQXMSYLHEOVFKV-RCCFBDPRSA-N	0	3	312.413	2.916	20	30		DFEDHN
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000595705203	399047929	/nfs/dbraw/zinc/04/79/29/399047929.db2.gz	DUHWECABVHRJLD-SCLBCKFNSA-N	0	3	305.381	2.815	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)c1cccc(SCC#N)c1	ZINC000079527204	399053545	/nfs/dbraw/zinc/05/35/45/399053545.db2.gz	IOYWZIUGTLSXHK-UHFFFAOYSA-N	0	3	305.447	2.716	20	30		DFEDHN
C=C(C)COc1cc(CNCC2([S@](C)=O)CC2)ccc1OC	ZINC000282542804	334995088	/nfs/dbraw/zinc/99/50/88/334995088.db2.gz	ZYPJTSROTRVTHX-QFIPXVFZSA-N	0	3	323.458	2.651	20	30		DFEDHN
C=CCN(C(=O)NCC1CCN(c2ccncc2)CC1)C1CC1	ZINC000271786131	209214229	/nfs/dbraw/zinc/21/42/29/209214229.db2.gz	KSWPDAHDPUTLFA-UHFFFAOYSA-N	0	3	314.433	2.658	20	30		DFEDHN
N#CCc1cccc2c1CCN(CCC(=O)N1CCCCC1)C2	ZINC000599677748	399059049	/nfs/dbraw/zinc/05/90/49/399059049.db2.gz	DMTKXUVSYVGINZ-UHFFFAOYSA-N	0	3	311.429	2.513	20	30		DFEDHN
N#CCCOCCN[C@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000599678223	399059149	/nfs/dbraw/zinc/05/91/49/399059149.db2.gz	JQFFCKJOXQPTSZ-CQSZACIVSA-N	0	3	317.216	2.937	20	30		DFEDHN
CC(=O)NC[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N	ZINC000599697827	399068979	/nfs/dbraw/zinc/06/89/79/399068979.db2.gz	AYIHYSFLCOXBND-QGZVFWFLSA-N	0	3	313.445	2.978	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N	ZINC000599697826	399069235	/nfs/dbraw/zinc/06/92/35/399069235.db2.gz	AYIHYSFLCOXBND-KRWDZBQOSA-N	0	3	313.445	2.978	20	30		DFEDHN
N#CCCN1CCN(CC2CCC(C(F)(F)F)CC2)CC1	ZINC000613743058	399074809	/nfs/dbraw/zinc/07/48/09/399074809.db2.gz	YMGNDNWUHUZNJN-UHFFFAOYSA-N	0	3	303.372	2.886	20	30		DFEDHN
C=CCC[C@H](C(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1	ZINC000275245610	212221668	/nfs/dbraw/zinc/22/16/68/212221668.db2.gz	GTMSTCAXZMDRHW-MSOLQXFVSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1	ZINC000275167728	212166030	/nfs/dbraw/zinc/16/60/30/212166030.db2.gz	WBOZPXIKCKUZBC-JKSUJKDBSA-N	0	3	308.491	2.793	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000595800038	399089993	/nfs/dbraw/zinc/08/99/93/399089993.db2.gz	PRVRWAICAVWRFO-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(=O)NC1CCCCC1	ZINC000595844183	399111028	/nfs/dbraw/zinc/11/10/28/399111028.db2.gz	BOXAXDVKLYZMKG-CWRNSKLLSA-N	0	3	319.449	2.716	20	30		DFEDHN
CC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C1(C#N)CCCCC1	ZINC000595858706	399114775	/nfs/dbraw/zinc/11/47/75/399114775.db2.gz	ZBFHIVJUQHASPM-MQVJKMGUSA-N	0	3	303.450	2.934	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2Br)CC1	ZINC000600718544	399123276	/nfs/dbraw/zinc/12/32/76/399123276.db2.gz	RIFRANMOHDHYQV-GFCCVEGCSA-N	0	3	309.207	2.593	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2OC(F)(F)F)CC1	ZINC000600717156	399123352	/nfs/dbraw/zinc/12/33/52/399123352.db2.gz	JLKDLJXPJPUHAQ-LBPRGKRZSA-N	0	3	314.307	2.730	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCCOc3ccc(F)cc32)CC1	ZINC000600717988	399123076	/nfs/dbraw/zinc/12/30/76/399123076.db2.gz	DQQLYEWVLSUPOF-ZFWWWQNUSA-N	0	3	304.365	2.684	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2ccccc2)[C@H]2CCCO2)CC1	ZINC000600721725	399124637	/nfs/dbraw/zinc/12/46/37/399124637.db2.gz	FLHWDJNEOKJDMG-GVDBMIGSSA-N	0	3	300.402	2.551	20	30		DFEDHN
C=CCc1cc(CN2CC[C@](C)(C(=O)OC)C2)cc(OC)c1O	ZINC000093813643	193311626	/nfs/dbraw/zinc/31/16/26/193311626.db2.gz	XVQMRJWNJVBKDJ-SFHVURJKSA-N	0	3	319.401	2.514	20	30		DFEDHN
COc1ccccc1[C@H]1CNCCN1CCc1ccc(C#N)cc1	ZINC000595895395	399126824	/nfs/dbraw/zinc/12/68/24/399126824.db2.gz	LHZOVGAGJPDEKF-LJQANCHMSA-N	0	3	321.424	2.756	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2OCC2CC2)CC1	ZINC000600725937	399126876	/nfs/dbraw/zinc/12/68/76/399126876.db2.gz	RVHGSFVSFCAEAS-MRXNPFEDSA-N	0	3	300.402	2.620	20	30		DFEDHN
Cc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1Br	ZINC000600733175	399129011	/nfs/dbraw/zinc/12/90/11/399129011.db2.gz	HOPXKFNJXMGIET-ZDUSSCGKSA-N	0	3	323.234	2.902	20	30		DFEDHN
CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180262844	399133281	/nfs/dbraw/zinc/13/32/81/399133281.db2.gz	AKBFXKYYNVLHCC-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=CCNC(=O)CN[C@H](Cc1cccc(OC)c1)c1ccccc1	ZINC000181451170	399140740	/nfs/dbraw/zinc/14/07/40/399140740.db2.gz	SCUHYWLLWIHOPG-LJQANCHMSA-N	0	3	324.424	2.871	20	30		DFEDHN
CC(C)[C@H](NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000181896644	399142453	/nfs/dbraw/zinc/14/24/53/399142453.db2.gz	DYZIPRKSYWSONB-AWEZNQCLSA-N	0	3	313.323	2.632	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN(CCC#N)CC2CC2)CC1	ZINC000181730108	399142537	/nfs/dbraw/zinc/14/25/37/399142537.db2.gz	YCYUJYFGPWTQOJ-UHFFFAOYSA-N	0	3	305.466	2.897	20	30		DFEDHN
CCN1CCCC[C@H]1C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600785197	399145481	/nfs/dbraw/zinc/14/54/81/399145481.db2.gz	NZWNYMBNMJFFSI-SFHVURJKSA-N	0	3	311.429	2.512	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000134926822	335014395	/nfs/dbraw/zinc/01/43/95/335014395.db2.gz	VKHAIUGAASBWOC-SJLPKXTDSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000182660852	399148486	/nfs/dbraw/zinc/14/84/86/399148486.db2.gz	JDKXMHGVNWNRDQ-KBPBESRZSA-N	0	3	302.422	2.575	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCC23CC3)cc1	ZINC000600805433	399152610	/nfs/dbraw/zinc/15/26/10/399152610.db2.gz	RTNPSRGULMNQSD-IRXDYDNUSA-N	0	3	307.397	2.937	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](C)c1cc2ccccc2s1	ZINC000184374458	399157309	/nfs/dbraw/zinc/15/73/09/399157309.db2.gz	DTVJTYNOAIZBLE-NSHDSACASA-N	0	3	317.414	2.564	20	30		DFEDHN
Cc1cc(NC2CCN(C3CC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596067306	399161331	/nfs/dbraw/zinc/16/13/31/399161331.db2.gz	WRKIIQYQQDYKJR-UHFFFAOYSA-N	0	3	300.362	2.814	20	30		DFEDHN
Cc1cc(N2CCN(C3CCCC3)CC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596074002	399163390	/nfs/dbraw/zinc/16/33/90/399163390.db2.gz	WNCXCIAOJMOTBY-UHFFFAOYSA-N	0	3	314.389	2.840	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CNC2(c3cccc(C#N)c3)CC2)cc1	ZINC000271746253	209177525	/nfs/dbraw/zinc/17/75/25/209177525.db2.gz	DOJFGGDBKOCQAL-SFHVURJKSA-N	0	3	303.365	2.742	20	30		DFEDHN
C#CC[C@H](NC[C@H](O)COCc1cccs1)c1ccccc1	ZINC000271734803	209167695	/nfs/dbraw/zinc/16/76/95/209167695.db2.gz	TUJHWPCJPSJIOL-WMZOPIPTSA-N	0	3	315.438	2.980	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H]2Cn2cncn2)cc1	ZINC000614166693	399167952	/nfs/dbraw/zinc/16/79/52/399167952.db2.gz	RSYODGMUMANWIJ-KRWDZBQOSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCCN1CCC(OC)(c2nc(CC(F)(F)F)no2)CC1	ZINC000284727963	335016735	/nfs/dbraw/zinc/01/67/35/335016735.db2.gz	JWXJVMDDMRFOHS-UHFFFAOYSA-N	0	3	319.327	2.688	20	30		DFEDHN
N#Cc1c(N[C@H]2CCN(C3CC3)C2)nc2cc(Cl)ccn12	ZINC000596091447	399169993	/nfs/dbraw/zinc/16/99/93/399169993.db2.gz	KFGWRYRFTHXSJJ-NSHDSACASA-N	0	3	301.781	2.508	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1	ZINC000614177495	399170142	/nfs/dbraw/zinc/17/01/42/399170142.db2.gz	OWSXHFDVBRTZBS-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000607538297	399173507	/nfs/dbraw/zinc/17/35/07/399173507.db2.gz	ZNGXUNDQDKHBQZ-RHSMWYFYSA-N	0	3	322.474	2.840	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(=O)[nH]1	ZINC000062675179	399174409	/nfs/dbraw/zinc/17/44/09/399174409.db2.gz	AYHKTTZNYIPIJF-LLVKDONJSA-N	0	3	309.350	2.783	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1ccnc(C#N)c1	ZINC000614214308	399176502	/nfs/dbraw/zinc/17/65/02/399176502.db2.gz	BUQCZWIBHAVSMH-CVEARBPZSA-N	0	3	301.390	2.555	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(Cl)cc1	ZINC000282675788	217167845	/nfs/dbraw/zinc/16/78/45/217167845.db2.gz	AWAJEZJKXXYDKR-HNNXBMFYSA-N	0	3	316.792	2.572	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1ccccc1CC#N)c1ccccc1	ZINC000600923767	399177253	/nfs/dbraw/zinc/17/72/53/399177253.db2.gz	XCVYEWFFZBBEFD-GOSISDBHSA-N	0	3	307.397	2.785	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000596115953	399179653	/nfs/dbraw/zinc/17/96/53/399179653.db2.gz	FJICDIKHGIEHOK-UHFFFAOYSA-N	0	3	300.362	2.837	20	30		DFEDHN
CC(C)[C@@H](CNc1ccc(Cl)cc1C#N)N1CCN(C)CC1	ZINC000266178221	205162040	/nfs/dbraw/zinc/16/20/40/205162040.db2.gz	UGIAQJITTQHWTP-QGZVFWFLSA-N	0	3	320.868	2.896	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)CCN1C	ZINC000266208004	205183087	/nfs/dbraw/zinc/18/30/87/205183087.db2.gz	FNIGJPUIVXLZOB-ZYHUDNBSSA-N	0	3	312.339	2.891	20	30		DFEDHN
C#CC[C@H](NCC(=O)NCCOc1ccccc1)c1ccccc1	ZINC000271678819	209121306	/nfs/dbraw/zinc/12/13/06/209121306.db2.gz	ICBLHVOCNOGSHU-IBGZPJMESA-N	0	3	322.408	2.536	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3cccc(C#N)c3)CC2)n[nH]1	ZINC000271674133	209116408	/nfs/dbraw/zinc/11/64/08/209116408.db2.gz	XQQMIAUOZDUPBQ-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3cccc(C#N)c3)CC2)[nH]n1	ZINC000271674133	209116410	/nfs/dbraw/zinc/11/64/10/209116410.db2.gz	XQQMIAUOZDUPBQ-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596158758	399195558	/nfs/dbraw/zinc/19/55/58/399195558.db2.gz	IXOHDFYQUPNJBC-SJORKVTESA-N	0	3	321.428	2.955	20	30		DFEDHN
Cc1ccccc1[C@H](C)NCC(=O)NCc1ccc(C#N)cc1	ZINC000271668174	209111041	/nfs/dbraw/zinc/11/10/41/209111041.db2.gz	HODBCPQTERHODI-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1CCN(CC)C1	ZINC000596165543	399198819	/nfs/dbraw/zinc/19/88/19/399198819.db2.gz	UHZLQFNXEWWDPL-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1	ZINC000081121175	399212304	/nfs/dbraw/zinc/21/23/04/399212304.db2.gz	IQGRXRQOPCJHJE-IBGZPJMESA-N	0	3	319.408	2.905	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCN(CC2CCCCC2)CC1	ZINC000064129596	399216733	/nfs/dbraw/zinc/21/67/33/399216733.db2.gz	LTJZIBOBEGQYLD-UHFFFAOYSA-N	0	3	321.509	2.609	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N1CCC(C)CC1	ZINC000285239198	335022442	/nfs/dbraw/zinc/02/24/42/335022442.db2.gz	VZKMVKKOXRRVEB-IEBWSBKVSA-N	0	3	312.457	2.858	20	30		DFEDHN
Cc1cccc(CN2CCCN(c3ncccc3C#N)CC2)c1	ZINC000064633396	399229174	/nfs/dbraw/zinc/22/91/74/399229174.db2.gz	VIDHLPXSDGXLFG-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CN(C)CCOc1ccc(CCNc2ccc(C#N)nc2)cc1	ZINC000267435918	206066222	/nfs/dbraw/zinc/06/62/22/206066222.db2.gz	XTZIILZNVAJAEC-UHFFFAOYSA-N	0	3	310.401	2.548	20	30		DFEDHN
C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)cc1F	ZINC000601152360	399242592	/nfs/dbraw/zinc/24/25/92/399242592.db2.gz	CTFJSZAXZVCVPD-SFHVURJKSA-N	0	3	316.351	2.920	20	30		DFEDHN
C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N(C)Cc1ccccc1	ZINC000601149946	399241910	/nfs/dbraw/zinc/24/19/10/399241910.db2.gz	UHKMQLUOKXIKGZ-OAHLLOKOSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCCN1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267676543	206212585	/nfs/dbraw/zinc/21/25/85/206212585.db2.gz	FSIMSMQXEVMCOC-AWEZNQCLSA-N	0	3	309.479	2.934	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1	ZINC000614588349	399249627	/nfs/dbraw/zinc/24/96/27/399249627.db2.gz	QHISVBKDGMGSGM-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
C=CCC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccco1	ZINC000285994940	335031324	/nfs/dbraw/zinc/03/13/24/335031324.db2.gz	HFGYJJIEAKPSQP-ZIAGYGMSSA-N	0	3	316.405	2.629	20	30		DFEDHN
C#CC(C)(C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000286066322	335032371	/nfs/dbraw/zinc/03/23/71/335032371.db2.gz	JKBOFXVTAFDHPI-UHFFFAOYSA-N	0	3	303.362	2.575	20	30		DFEDHN
Cc1nc(C)c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1	ZINC000618903833	399255501	/nfs/dbraw/zinc/25/55/01/399255501.db2.gz	AVJIHFITYOQSQX-UHFFFAOYSA-N	0	3	324.428	2.871	20	30		DFEDHN
C=C[C@@](C)(O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC	ZINC000614674780	399258125	/nfs/dbraw/zinc/25/81/25/399258125.db2.gz	OFPRNGBQILPXEQ-NVXWUHKLSA-N	0	3	324.852	2.776	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccnc(N3CCSCC3)c2)C1	ZINC000601302039	399273816	/nfs/dbraw/zinc/27/38/16/399273816.db2.gz	DCGUGEYQVZVHSO-GOEBONIOSA-N	0	3	316.474	2.807	20	30		DFEDHN
COc1ccc([C@H](C)[C@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601314919	399275637	/nfs/dbraw/zinc/27/56/37/399275637.db2.gz	BSJPWSPOWQXPMA-CVEARBPZSA-N	0	3	301.434	2.718	20	30		DFEDHN
CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000608822175	399297766	/nfs/dbraw/zinc/29/77/66/399297766.db2.gz	GYKBQBUSBAYPAT-ROUUACIJSA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[C@H]1C#N	ZINC000601564762	399301337	/nfs/dbraw/zinc/30/13/37/399301337.db2.gz	FRNMHGJIEDGGGB-NHYWBVRUSA-N	0	3	316.380	2.627	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCC1	ZINC000609231794	399309984	/nfs/dbraw/zinc/30/99/84/399309984.db2.gz	OBCZTCGFLBPIIW-QGZVFWFLSA-N	0	3	317.408	2.824	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2n1CC#N	ZINC000609530363	399321590	/nfs/dbraw/zinc/32/15/90/399321590.db2.gz	INJNGNYZIWSEEH-MRXNPFEDSA-N	0	3	324.428	2.769	20	30		DFEDHN
CSC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000601691488	399322192	/nfs/dbraw/zinc/32/21/92/399322192.db2.gz	MAFRJDGNGSFQIE-OAHLLOKOSA-N	0	3	313.426	2.595	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(CCF)CC2)cc1	ZINC000601747015	399330109	/nfs/dbraw/zinc/33/01/09/399330109.db2.gz	HMDWHCYTXNQRRG-KRWDZBQOSA-N	0	3	313.376	2.839	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@@]12CCCO2	ZINC000274182554	211407421	/nfs/dbraw/zinc/40/74/21/211407421.db2.gz	IYZKBPQFEJJPOC-RNJTYBCJSA-N	0	3	300.402	2.935	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000609921492	399336556	/nfs/dbraw/zinc/33/65/56/399336556.db2.gz	BWTGKKRDHANJMQ-JQWIXIFHSA-N	0	3	311.307	2.560	20	30		DFEDHN
C#CCN(C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC1	ZINC000274027579	211286171	/nfs/dbraw/zinc/28/61/71/211286171.db2.gz	CXFDDDJERBEVOA-SUMWQHHRSA-N	0	3	307.821	2.876	20	30		DFEDHN
CC(C)[C@H](CCO)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000273970187	211225678	/nfs/dbraw/zinc/22/56/78/211225678.db2.gz	HLNUCDYWXDOSTI-ABAIWWIYSA-N	0	3	323.824	2.535	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOC[C@@H]1CCOC1	ZINC000619508295	399355490	/nfs/dbraw/zinc/35/54/90/399355490.db2.gz	ROLISFXWKNHQFX-APWZRJJASA-N	0	3	314.429	2.968	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC(C)CC1)c1cccc(C#N)c1	ZINC000610348630	399359104	/nfs/dbraw/zinc/35/91/04/399359104.db2.gz	XEBQZXIVCNPPJC-OAHLLOKOSA-N	0	3	314.433	2.650	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000601953233	399368047	/nfs/dbraw/zinc/36/80/47/399368047.db2.gz	DPEXTZFREPGZSK-MOPGFXCFSA-N	0	3	316.445	2.682	20	30		DFEDHN
C[C@](O)(C[C@H](O)CN[C@@H](CCC#N)c1ccccc1)C1CC1	ZINC000601964192	399370200	/nfs/dbraw/zinc/37/02/00/399370200.db2.gz	HONYQCROJXEOHK-BZSNNMDCSA-N	0	3	302.418	2.533	20	30		DFEDHN
C[C@@H]1CN(C(C)(C)CNCc2cccc(F)c2C#N)C[C@@H](C)O1	ZINC000601995557	399377898	/nfs/dbraw/zinc/37/78/98/399377898.db2.gz	DWPFQGFJSVMDTC-ZIAGYGMSSA-N	0	3	319.424	2.675	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000610676409	399391833	/nfs/dbraw/zinc/39/18/33/399391833.db2.gz	KBFSOSIBROXYTH-GXTWGEPZSA-N	0	3	317.437	2.576	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cccc(F)c1OCC(F)(F)F	ZINC000623491326	399401292	/nfs/dbraw/zinc/40/12/92/399401292.db2.gz	OPUIJSSRXQBKEW-NSHDSACASA-N	0	3	307.287	2.793	20	30		DFEDHN
Cn1cc([C@H]2CCCN(CCCOc3cccc(C#N)c3)C2)cn1	ZINC000610786161	399406261	/nfs/dbraw/zinc/40/62/61/399406261.db2.gz	PJSGDOOUAYYDOV-KRWDZBQOSA-N	0	3	324.428	2.940	20	30		DFEDHN
CCCCOCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000056282714	184009033	/nfs/dbraw/zinc/00/90/33/184009033.db2.gz	QBUFIEILSCLQLK-UHFFFAOYSA-N	0	3	315.461	2.883	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c(Cl)c1	ZINC000610877170	399415192	/nfs/dbraw/zinc/41/51/92/399415192.db2.gz	LPFYOBXLIRSKCC-ZDUSSCGKSA-N	0	3	318.808	2.817	20	30		DFEDHN
CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000602304372	399421490	/nfs/dbraw/zinc/42/14/90/399421490.db2.gz	XNBURQZMYYFHOE-QFBILLFUSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#Cc1cc(CN(CCCO)[C@@H]2CCc3ccccc32)ccn1	ZINC000610994319	399426069	/nfs/dbraw/zinc/42/60/69/399426069.db2.gz	CRFPVBMOWACPOQ-LJQANCHMSA-N	0	3	307.397	2.825	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000602340937	399427517	/nfs/dbraw/zinc/42/75/17/399427517.db2.gz	GFELUHNSKHELRA-USXIJHARSA-N	0	3	318.465	2.775	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000602346859	399428738	/nfs/dbraw/zinc/42/87/38/399428738.db2.gz	AQSZRYDRZHFDAC-OAHLLOKOSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)[nH]1	ZINC000611029633	399428839	/nfs/dbraw/zinc/42/88/39/399428839.db2.gz	MQBMGCQSHLKMPT-INIZCTEOSA-N	0	3	322.412	2.528	20	30		DFEDHN
N#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)[nH]1	ZINC000611033007	399429453	/nfs/dbraw/zinc/42/94/53/399429453.db2.gz	NYASGNLFZXWTJI-UHFFFAOYSA-N	0	3	308.385	2.629	20	30		DFEDHN
C=C/C(C)=C\CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000616174568	399430097	/nfs/dbraw/zinc/43/00/97/399430097.db2.gz	WRQKXJZWOQSPQB-SOFYXZRVSA-N	0	3	311.429	2.971	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NCCCCN2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000269046439	207195833	/nfs/dbraw/zinc/19/58/33/207195833.db2.gz	ORRPKYOZCISXFL-IYBDPMFKSA-N	0	3	316.449	2.871	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@](C)(OC)C1CC1	ZINC000602444845	399445966	/nfs/dbraw/zinc/44/59/66/399445966.db2.gz	PERVSEHTPVPKQL-SFHVURJKSA-N	0	3	302.418	2.822	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000602441707	399444858	/nfs/dbraw/zinc/44/48/58/399444858.db2.gz	RBJXEBFXNQIVLG-HNNXBMFYSA-N	0	3	317.408	2.913	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000269084430	207229827	/nfs/dbraw/zinc/22/98/27/207229827.db2.gz	ANICLPQRKHSHNY-UHFFFAOYSA-N	0	3	306.797	2.817	20	30		DFEDHN
CC(C)[C@H](CO)N(Cc1ccccc1)Cc1cccc(C#N)n1	ZINC000602473322	399453880	/nfs/dbraw/zinc/45/38/80/399453880.db2.gz	MEAPUAMZRVWCPL-IBGZPJMESA-N	0	3	309.413	2.972	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1OC	ZINC000623752380	399458790	/nfs/dbraw/zinc/45/87/90/399458790.db2.gz	DXVDJLIJKGPQJZ-NVXWUHKLSA-N	0	3	303.402	2.917	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1nc2c(s1)CCCC2	ZINC000611326566	399462275	/nfs/dbraw/zinc/46/22/75/399462275.db2.gz	JWETXUDCBFWFCC-LBPRGKRZSA-N	0	3	304.463	2.660	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H](c2cccs2)N2CCCC2)n1	ZINC000602505203	399462584	/nfs/dbraw/zinc/46/25/84/399462584.db2.gz	UJAADGOFRREUFZ-INIZCTEOSA-N	0	3	312.442	2.941	20	30		DFEDHN
N#Cc1cccc(CNCC2(c3ccccc3)CCOCC2)n1	ZINC000602508298	399463448	/nfs/dbraw/zinc/46/34/48/399463448.db2.gz	AYHPKBAFIKYWOY-UHFFFAOYSA-N	0	3	307.397	2.791	20	30		DFEDHN
COc1ccc(OC)c(CN[C@@H](C)CC2(C#N)CCOCC2)c1	ZINC000602507071	399463693	/nfs/dbraw/zinc/46/36/93/399463693.db2.gz	ODVXDUNGDYSQPV-AWEZNQCLSA-N	0	3	318.417	2.892	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2C[C@H](C)N(C)C[C@H]2C)c1C#N	ZINC000611349389	399464966	/nfs/dbraw/zinc/46/49/66/399464966.db2.gz	HGJPXJYYNPIYFI-LSDHHAIUSA-N	0	3	323.444	2.577	20	30		DFEDHN
C[C@@H](COc1ccc(F)cc1F)NCc1cccc(C#N)n1	ZINC000602519793	399467130	/nfs/dbraw/zinc/46/71/30/399467130.db2.gz	AQJIMIXPAWKMII-NSHDSACASA-N	0	3	303.312	2.789	20	30		DFEDHN
CC(C)(NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2s1	ZINC000602525526	399467994	/nfs/dbraw/zinc/46/79/94/399467994.db2.gz	FFVOXFYQJBPZTP-NSHDSACASA-N	0	3	316.430	2.669	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@@H]1CCCc3cc(C#N)ccc31)CC2	ZINC000611394224	399470089	/nfs/dbraw/zinc/47/00/89/399470089.db2.gz	WJSTYELOIOAXTC-NVXWUHKLSA-N	0	3	321.428	2.694	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H](CC1CC1)c1ccccc1)C1CC1	ZINC000611395451	399470509	/nfs/dbraw/zinc/47/05/09/399470509.db2.gz	BRBHXHUFYOZXGD-HKUYNNGSSA-N	0	3	311.429	2.926	20	30		DFEDHN
COc1ccc(C[C@@H](C)NCc2cccc(C#N)n2)cc1OC	ZINC000602548264	399473127	/nfs/dbraw/zinc/47/31/27/399473127.db2.gz	DBMYCUXJBHVZSO-CYBMUJFWSA-N	0	3	311.385	2.691	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1	ZINC000611438617	399476969	/nfs/dbraw/zinc/47/69/69/399476969.db2.gz	JLNGJCSHGRTXGY-RDTXWAMCSA-N	0	3	311.429	3.000	20	30		DFEDHN
COc1ccc(CCNCc2cccc(C#N)n2)c(Cl)c1	ZINC000602564581	399477269	/nfs/dbraw/zinc/47/72/69/399477269.db2.gz	AROUSOLIVGFZKS-UHFFFAOYSA-N	0	3	301.777	2.948	20	30		DFEDHN
COc1ccc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)cc1F	ZINC000602568903	399478588	/nfs/dbraw/zinc/47/85/88/399478588.db2.gz	ZFCCCYQKZRQQDE-AWEZNQCLSA-N	0	3	321.396	2.597	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2c(F)cccc2F)CCC1	ZINC000602576614	399480697	/nfs/dbraw/zinc/48/06/97/399480697.db2.gz	PLMGBLDTLBZGAB-AWEZNQCLSA-N	0	3	321.371	2.871	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)NC[C@H](C)CCC#N	ZINC000602579605	399481832	/nfs/dbraw/zinc/48/18/32/399481832.db2.gz	BNSMXJJGGRZRJQ-HUUCEWRRSA-N	0	3	308.447	2.768	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000602583369	399482856	/nfs/dbraw/zinc/48/28/56/399482856.db2.gz	QXJYBLXMIBLYBS-SNVBAGLBSA-N	0	3	318.295	2.888	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21	ZINC000602583477	399482962	/nfs/dbraw/zinc/48/29/62/399482962.db2.gz	XNYRJQPBYUQHMM-LSDHHAIUSA-N	0	3	305.809	2.855	20	30		DFEDHN
COc1ccccc1OC[C@@H](C)CNCc1cccc(C#N)n1	ZINC000602577079	399480896	/nfs/dbraw/zinc/48/08/96/399480896.db2.gz	RBMHLAQLUDXANO-AWEZNQCLSA-N	0	3	311.385	2.767	20	30		DFEDHN
CC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000602583883	399483209	/nfs/dbraw/zinc/48/32/09/399483209.db2.gz	VCPFTOINCGYJTQ-RDJZCZTQSA-N	0	3	305.397	2.978	20	30		DFEDHN
C[C@H]1COCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000611518418	399487332	/nfs/dbraw/zinc/48/73/32/399487332.db2.gz	AMUIOYNKQRXDGO-AWEZNQCLSA-N	0	3	310.401	2.570	20	30		DFEDHN
Cc1csc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)n1	ZINC000602603857	399487754	/nfs/dbraw/zinc/48/77/54/399487754.db2.gz	SFOXQHKNCDRWBP-STQMWFEESA-N	0	3	306.435	2.526	20	30		DFEDHN
Cc1csc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)n1	ZINC000602603850	399488012	/nfs/dbraw/zinc/48/80/12/399488012.db2.gz	SFOXQHKNCDRWBP-OLZOCXBDSA-N	0	3	306.435	2.526	20	30		DFEDHN
CNC(=O)c1ccc([C@H]2CCCCN2C[C@H](C)CCC#N)n1C	ZINC000602623480	399493346	/nfs/dbraw/zinc/49/33/46/399493346.db2.gz	GYNQYJUCANCCQE-GDBMZVCRSA-N	0	3	316.449	2.852	20	30		DFEDHN
C[C@@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1cccc(C#N)c1	ZINC000611580531	399496359	/nfs/dbraw/zinc/49/63/59/399496359.db2.gz	XFVPOJLUZAYKRA-ZIAGYGMSSA-N	0	3	312.417	2.569	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1cccc(C#N)n1	ZINC000602639861	399499960	/nfs/dbraw/zinc/49/99/60/399499960.db2.gz	BSWQXFNHCXWSAM-CVEARBPZSA-N	0	3	301.390	2.555	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1)Cc1cccc(C#N)n1	ZINC000602655976	399504445	/nfs/dbraw/zinc/50/44/45/399504445.db2.gz	JOJMUVQITBGWAG-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
CO[C@H](CNCc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000602659431	399505778	/nfs/dbraw/zinc/50/57/78/399505778.db2.gz	PZBFDKMYKMJHMR-MRXNPFEDSA-N	0	3	308.809	2.743	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)c2sccc2C#N)C1	ZINC000052148263	425884033	/nfs/dbraw/zinc/88/40/33/425884033.db2.gz	HEQCJHYDEYRCCF-LBPRGKRZSA-N	0	3	305.447	2.860	20	30		DFEDHN
Cn1nc(C(=O)OC(C)(C)C)cc1CNCC(C)(C)CCC#N	ZINC000602662608	399508476	/nfs/dbraw/zinc/50/84/76/399508476.db2.gz	PEHLAMKIBRDAGP-UHFFFAOYSA-N	0	3	320.437	2.795	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)Cc2cccc(C#N)n2)CC1	ZINC000602668086	399510886	/nfs/dbraw/zinc/51/08/86/399510886.db2.gz	SYCVLWYLADVONS-UHFFFAOYSA-N	0	3	310.401	2.643	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H]2Cn2cnc3ccccc32)n1	ZINC000602668470	399512458	/nfs/dbraw/zinc/51/24/58/399512458.db2.gz	VGXJMUAQGDRNKC-QGZVFWFLSA-N	0	3	317.396	2.968	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc2cnn(C)c2c1	ZINC000602678394	399517008	/nfs/dbraw/zinc/51/70/08/399517008.db2.gz	WJKUNIXVGXPARY-CQSZACIVSA-N	0	3	312.417	2.762	20	30		DFEDHN
CC[C@@](CNCc1cccc(C#N)n1)(C(=O)OC)c1ccccc1	ZINC000602697027	399525536	/nfs/dbraw/zinc/52/55/36/399525536.db2.gz	SNCVJRVVKDTNLU-IBGZPJMESA-N	0	3	323.396	2.564	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2cccc(C#N)n2)C1	ZINC000602703596	399529241	/nfs/dbraw/zinc/52/92/41/399529241.db2.gz	QXVPEHHTIAPSBX-OLZOCXBDSA-N	0	3	301.390	2.553	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1COc2cc(F)ccc2C1	ZINC000602710475	399532674	/nfs/dbraw/zinc/53/26/74/399532674.db2.gz	MEDJUDUNRDHQNI-BBRMVZONSA-N	0	3	318.392	2.818	20	30		DFEDHN
CC[C@]1(O)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000602740003	399550572	/nfs/dbraw/zinc/55/05/72/399550572.db2.gz	POBQIYLAONKCJZ-IBGZPJMESA-N	0	3	324.428	2.696	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000158690536	197295022	/nfs/dbraw/zinc/29/50/22/197295022.db2.gz	TXTQAHVYFVXIHC-SFHVURJKSA-N	0	3	313.445	2.926	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000272940618	210327179	/nfs/dbraw/zinc/32/71/79/210327179.db2.gz	LXQKCDKQOMCJCG-OAHLLOKOSA-N	0	3	317.433	2.670	20	30		DFEDHN
CN(Cc1ccc(C#N)s1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000120241205	195125638	/nfs/dbraw/zinc/12/56/38/195125638.db2.gz	ZQXHLTJGMIFNPO-CYBMUJFWSA-N	0	3	313.430	2.511	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN(CC3(CC#N)CC3)CC2)C1	ZINC000602763131	399560965	/nfs/dbraw/zinc/56/09/65/399560965.db2.gz	BESSXYNEENGBRO-OAHLLOKOSA-N	0	3	303.450	2.651	20	30		DFEDHN
N#CCC1(CN2CCC(CC(=O)NC3CCCC3)CC2)CC1	ZINC000602762945	399561104	/nfs/dbraw/zinc/56/11/04/399561104.db2.gz	HRMNOKMFTBYMMZ-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
CN(Cc1cc(C#N)cs1)[C@H]1CCCN(c2cccnn2)C1	ZINC000120254045	195128171	/nfs/dbraw/zinc/12/81/71/195128171.db2.gz	PAPFWZAVMAQMBB-AWEZNQCLSA-N	0	3	313.430	2.511	20	30		DFEDHN
C=C(CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1ccccc1	ZINC000287945659	335050304	/nfs/dbraw/zinc/05/03/04/335050304.db2.gz	GHSCBNGVGPDPPI-QZTJIDSGSA-N	0	3	313.445	2.826	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C	ZINC000288433380	335052575	/nfs/dbraw/zinc/05/25/75/335052575.db2.gz	OLUHITBYPMFWDG-JKSUJKDBSA-N	0	3	314.429	2.950	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccsc1	ZINC000157686988	197208190	/nfs/dbraw/zinc/20/81/90/197208190.db2.gz	XVXZJWVQGXNTTF-HNNXBMFYSA-N	0	3	316.430	2.761	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1	ZINC000617019337	399577918	/nfs/dbraw/zinc/57/79/18/399577918.db2.gz	KKOULIZTAVFZIE-HNNXBMFYSA-N	0	3	302.418	2.854	20	30		DFEDHN
CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(CC#N)cc1)CC2	ZINC000612080118	399574880	/nfs/dbraw/zinc/57/48/80/399574880.db2.gz	VQMWOYYOCYTVHS-MSOLQXFVSA-N	0	3	314.429	2.505	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(CC#N)cc1)CC2	ZINC000612080121	399575135	/nfs/dbraw/zinc/57/51/35/399575135.db2.gz	VQMWOYYOCYTVHS-ZWKOTPCHSA-N	0	3	314.429	2.505	20	30		DFEDHN
N#CCC1(CN2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)CC1	ZINC000602799791	399579620	/nfs/dbraw/zinc/57/96/20/399579620.db2.gz	UJNUXUVUYZGNLU-MRXNPFEDSA-N	0	3	315.461	2.795	20	30		DFEDHN
N#CCC1(CN[C@@H](Cn2ccccc2=O)c2ccccc2)CC1	ZINC000602822449	399588403	/nfs/dbraw/zinc/58/84/03/399588403.db2.gz	FSZPRXZCAQNSEP-KRWDZBQOSA-N	0	3	307.397	2.873	20	30		DFEDHN
Cn1cc([C@@H]2CCCN2CCCOc2cccc(C#N)c2)cn1	ZINC000156097124	197085746	/nfs/dbraw/zinc/08/57/46/197085746.db2.gz	VRCXGYAJQSLOLZ-SFHVURJKSA-N	0	3	310.401	2.898	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](CNC(C)=O)C2)c1	ZINC000155611010	197072012	/nfs/dbraw/zinc/07/20/12/197072012.db2.gz	LNKMZXWVACLHRO-KRWDZBQOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(-c3ncco3)c2)CC1	ZINC000155108924	197022161	/nfs/dbraw/zinc/02/21/61/197022161.db2.gz	NVBYLTPOKYQSGO-UHFFFAOYSA-N	0	3	309.369	2.625	20	30		DFEDHN
Cc1ccccc1OCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602858365	399605968	/nfs/dbraw/zinc/60/59/68/399605968.db2.gz	RMIMNULSDJZMRE-CALCHBBNSA-N	0	3	301.434	2.682	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1	ZINC000625702380	399617168	/nfs/dbraw/zinc/61/71/68/399617168.db2.gz	XZIKLLXKSOISPT-GOEBONIOSA-N	0	3	300.402	2.524	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2ccccc2COCC)C1	ZINC000625702481	399617367	/nfs/dbraw/zinc/61/73/67/399617367.db2.gz	YQMIGNFMJMPDAQ-INIZCTEOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CC[C@@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000625703821	399618702	/nfs/dbraw/zinc/61/87/02/399618702.db2.gz	PKEAFFLKYWKOEW-NVXWUHKLSA-N	0	3	303.402	2.527	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1	ZINC000289767871	221212931	/nfs/dbraw/zinc/21/29/31/221212931.db2.gz	ZORIYTSKJLBSDU-KZNAEPCWSA-N	0	3	312.413	2.625	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000289835663	221259904	/nfs/dbraw/zinc/25/99/04/221259904.db2.gz	PBRQCALTTMQJHT-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
C#CCC(C)(C)c1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000289099517	335060050	/nfs/dbraw/zinc/06/00/50/335060050.db2.gz	IXHKBUKTFGNXCL-UHFFFAOYSA-N	0	3	313.401	2.978	20	30		DFEDHN
C#C[C@H](NCc1ccc(OC(=O)C2CC2)c(OC)c1)C(C)C	ZINC000289120339	335060193	/nfs/dbraw/zinc/06/01/93/335060193.db2.gz	DMVMBYXHSQGPAX-HNNXBMFYSA-N	0	3	301.386	2.758	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](C2CCC2)CC1	ZINC000603000115	399655809	/nfs/dbraw/zinc/65/58/09/399655809.db2.gz	VLKOBOXEPKXHDK-QGZVFWFLSA-N	0	3	316.449	2.545	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN(C2CC2)C2CC2)c(OC)c1	ZINC000625833376	399659599	/nfs/dbraw/zinc/65/95/99/399659599.db2.gz	BQPDRCKRNXXYHC-KRWDZBQOSA-N	0	3	317.429	2.790	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)CCN1C	ZINC000603074419	399674380	/nfs/dbraw/zinc/67/43/80/399674380.db2.gz	HKHKQHDWEXQUPZ-XHDPSFHLSA-N	0	3	304.369	2.644	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1	ZINC000603068309	399669978	/nfs/dbraw/zinc/66/99/78/399669978.db2.gz	XVZDYCVLWXIRQC-CVEARBPZSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H]1CCC[C@H]1C#N	ZINC000602982148	399649572	/nfs/dbraw/zinc/64/95/72/399649572.db2.gz	ODUUFZHOFVBTSQ-HRCADAONSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#CC1(C(=O)N2CCCN(c3ccncc3)CC2)CCCCC1	ZINC000603084889	399676980	/nfs/dbraw/zinc/67/69/80/399676980.db2.gz	XZCZIHIXJYRRJZ-UHFFFAOYSA-N	0	3	312.417	2.594	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCCN(c3ccncc3)CC2)CC12CCCC2	ZINC000603084928	399677008	/nfs/dbraw/zinc/67/70/08/399677008.db2.gz	YIXZDJOWAVNAJA-LJQANCHMSA-N	0	3	324.428	2.594	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000612597780	399685461	/nfs/dbraw/zinc/68/54/61/399685461.db2.gz	DVEDRNBHHAQQMI-JKSUJKDBSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCC1(NCc2nn3c(nc(C)cc3=O)s2)CCCCC1	ZINC000625937280	399692907	/nfs/dbraw/zinc/69/29/07/399692907.db2.gz	SEBRWRHHJPDJNC-UHFFFAOYSA-N	0	3	318.446	2.828	20	30		DFEDHN
C[C@H](CCC#N)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145087	399695062	/nfs/dbraw/zinc/69/50/62/399695062.db2.gz	MFLJTXZRKYNUMB-KWCYVHTRSA-N	0	3	300.324	2.803	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603082759	399676383	/nfs/dbraw/zinc/67/63/83/399676383.db2.gz	SXXCKCUPZYGPCI-UHFFFAOYSA-N	0	3	304.369	2.645	20	30		DFEDHN
CC(C)(C)[C@@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1	ZINC000603242024	399720658	/nfs/dbraw/zinc/72/06/58/399720658.db2.gz	JVYQXJSVBJFEOV-INIZCTEOSA-N	0	3	313.405	2.665	20	30		DFEDHN
N#Cc1cc(NC2CCN(C3CC3)CC2)ncc1Br	ZINC000603271897	399728680	/nfs/dbraw/zinc/72/86/80/399728680.db2.gz	PDEJLVBCCFVZOB-UHFFFAOYSA-N	0	3	321.222	2.754	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cnc([C@@H](C)O)s1)C(C)C	ZINC000289251910	335061076	/nfs/dbraw/zinc/06/10/76/335061076.db2.gz	LXKYEKRFVSNNIZ-ZBFHGGJFSA-N	0	3	323.506	2.985	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1CCOC	ZINC000121665068	195326036	/nfs/dbraw/zinc/32/60/36/195326036.db2.gz	YVWRZULURZPMHJ-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
C[C@H]1CCCC[C@@H]1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123386936	195575569	/nfs/dbraw/zinc/57/55/69/195575569.db2.gz	ZTJSJLDSARGQCV-YOEHRIQHSA-N	0	3	312.417	2.891	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cc(C#N)c(Br)cn2)CN1C1CC1	ZINC000603308093	399739281	/nfs/dbraw/zinc/73/92/81/399739281.db2.gz	GLUCGJOZBYXBIO-ONGXEEELSA-N	0	3	321.222	2.753	20	30		DFEDHN
C=CCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000617614911	399755913	/nfs/dbraw/zinc/75/59/13/399755913.db2.gz	SUYJZAZGLJJIMJ-UHFFFAOYSA-N	0	3	301.434	2.523	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1c1cc(C#N)c(Br)cn1	ZINC000603402290	399766846	/nfs/dbraw/zinc/76/68/46/399766846.db2.gz	MXQYIMAMDBOOPR-GFCCVEGCSA-N	0	3	323.238	2.636	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CN(C)C1CCC1	ZINC000629952429	399767058	/nfs/dbraw/zinc/76/70/58/399767058.db2.gz	DYSSHZVVPZQDMN-UHFFFAOYSA-N	0	3	302.418	2.694	20	30		DFEDHN
O[C@@H]1CC[C@H]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]12	ZINC000626139137	399771530	/nfs/dbraw/zinc/77/15/30/399771530.db2.gz	XROSHZNDTNZYMU-NUEKZKHPSA-N	0	3	309.331	2.902	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1	ZINC000603433883	399774917	/nfs/dbraw/zinc/77/49/17/399774917.db2.gz	XDJFCMOVSQKYCM-INIZCTEOSA-N	0	3	303.402	2.506	20	30		DFEDHN
C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(Br)cc1	ZINC000289568000	335064592	/nfs/dbraw/zinc/06/45/92/335064592.db2.gz	SHLJVMQKPCTPTC-QWRGUYRKSA-N	0	3	309.207	2.778	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1	ZINC000617783822	399799017	/nfs/dbraw/zinc/79/90/17/399799017.db2.gz	HOWJUAGIQARERC-QGZVFWFLSA-N	0	3	320.477	2.836	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(C)cc(N)c2)CC1	ZINC000632969558	399812042	/nfs/dbraw/zinc/81/20/42/399812042.db2.gz	IMRXNJQKLQMMKB-UHFFFAOYSA-N	0	3	302.422	2.739	20	30		DFEDHN
C=C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-]	ZINC000289881877	335066743	/nfs/dbraw/zinc/06/67/43/335066743.db2.gz	SARSNQDKJXYOMU-KOLCDFICSA-N	0	3	300.196	2.661	20	30		DFEDHN
C#CCSCCNCc1cc2c(cc1SC)OCCO2	ZINC000230665707	542892828	/nfs/dbraw/zinc/89/28/28/542892828.db2.gz	OTFJEKMUUJAQHL-UHFFFAOYSA-N	0	3	309.456	2.636	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(CCF)CC2)CC1	ZINC000632986630	399817292	/nfs/dbraw/zinc/81/72/92/399817292.db2.gz	DUEBTIHAPHFEGY-UHFFFAOYSA-N	0	3	311.445	2.808	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000290124447	335069405	/nfs/dbraw/zinc/06/94/05/335069405.db2.gz	ZBBSXYFNWTWOQE-FQEVSTJZSA-N	0	3	318.420	2.601	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCC2([S@](C)=O)CCC2)cc1	ZINC000281021039	542990662	/nfs/dbraw/zinc/99/06/62/542990662.db2.gz	MHTVKLVYECCTLQ-QKKBWIMNSA-N	0	3	305.443	2.650	20	30		DFEDHN
Cc1cc2c[nH]nc2c(C(=O)NCCN2CCC[C@@H](C)C2)c1	ZINC000328697426	543096887	/nfs/dbraw/zinc/09/68/87/543096887.db2.gz	LISBAMLILFUEEN-GFCCVEGCSA-N	0	3	300.406	2.908	20	30		DFEDHN
CC(C)c1nc(CCNC(=O)N[C@H]2CCN(C3CC3)C2)cs1	ZINC000329302725	543102226	/nfs/dbraw/zinc/10/22/26/543102226.db2.gz	NNFOJXGXDZUNEG-LBPRGKRZSA-N	0	3	322.478	2.549	20	30		DFEDHN
CCc1nc([C@H](C)NC(=O)N[C@@H]2CCN(C3CC3)C2)cs1	ZINC000329310268	543103124	/nfs/dbraw/zinc/10/31/24/543103124.db2.gz	QTNMTYSAYXFLGW-WDEREUQCSA-N	0	3	308.451	2.507	20	30		DFEDHN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCC[C@H](C)C1	ZINC000052159999	425884259	/nfs/dbraw/zinc/88/42/59/425884259.db2.gz	BHLYTHYEOQGEHK-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1	ZINC000352269805	543228938	/nfs/dbraw/zinc/22/89/38/543228938.db2.gz	YHAVSXXUHFZOMF-NEPJUHHUSA-N	0	3	304.356	2.732	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1	ZINC000352269808	543228942	/nfs/dbraw/zinc/22/89/42/543228942.db2.gz	YHAVSXXUHFZOMF-VXGBXAGGSA-N	0	3	304.356	2.732	20	30		DFEDHN
N#CCCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000404180475	543313779	/nfs/dbraw/zinc/31/37/79/543313779.db2.gz	JCUXJVAFIYCACG-RBUKOAKNSA-N	0	3	313.445	2.656	20	30		DFEDHN
N#Cc1ccsc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1	ZINC000173267411	145338794	/nfs/dbraw/zinc/33/87/94/145338794.db2.gz	YXYLTHULKPGPAE-CQSZACIVSA-N	0	3	303.431	2.614	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000174508674	145382279	/nfs/dbraw/zinc/38/22/79/145382279.db2.gz	YHARJKDFAUQABL-HOTGVXAUSA-N	0	3	310.401	2.643	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C[C@@H]2CCOC2)nn1	ZINC000631170406	399995006	/nfs/dbraw/zinc/99/50/06/399995006.db2.gz	BASMQJRISZOXDU-UXLLHSPISA-N	0	3	304.438	2.539	20	30		DFEDHN
Cc1c(Br)cccc1NC(=O)[C@H](N)CCCC#N	ZINC000424090859	543341986	/nfs/dbraw/zinc/34/19/86/543341986.db2.gz	YFJPLBSWLQDHCG-LLVKDONJSA-N	0	3	310.195	2.717	20	30		DFEDHN
CC1(C(=O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1	ZINC000629003735	400070866	/nfs/dbraw/zinc/07/08/66/400070866.db2.gz	VWTSFYZLVOKVTH-MRXNPFEDSA-N	0	3	323.396	2.506	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2Cc2cccc(C#N)c2)C[C@H](C)O1	ZINC000250375509	146211594	/nfs/dbraw/zinc/21/15/94/146211594.db2.gz	NLMXKYOUHQGKIQ-JTDSTZFVSA-N	0	3	313.445	2.632	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cc(C#N)n(C)c1	ZINC000361547130	149143838	/nfs/dbraw/zinc/14/38/38/149143838.db2.gz	DVHSKSLJHBGDTG-DLBZAZTESA-N	0	3	322.456	2.992	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(CN2CCCC2=O)CC1	ZINC000369809386	149842245	/nfs/dbraw/zinc/84/22/45/149842245.db2.gz	QOSPBNWXVLRXPB-HNNXBMFYSA-N	0	3	311.429	2.954	20	30		DFEDHN
Cc1ccc(C#N)c(NC[C@@H]2CCCN(Cc3cccnc3)C2)n1	ZINC000371385449	150036073	/nfs/dbraw/zinc/03/60/73/150036073.db2.gz	RILMHLJBHVUFES-KRWDZBQOSA-N	0	3	321.428	2.981	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000371882913	150108786	/nfs/dbraw/zinc/10/87/86/150108786.db2.gz	FULIZBOEALKREX-MRXNPFEDSA-N	0	3	322.412	2.528	20	30		DFEDHN
Cn1nccc1[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000372010604	150124699	/nfs/dbraw/zinc/12/46/99/150124699.db2.gz	PMCPNSDKXGEQBP-KRWDZBQOSA-N	0	3	324.428	2.940	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H](C2CCOCC2)C1	ZINC000372213441	150149471	/nfs/dbraw/zinc/14/94/71/150149471.db2.gz	WGPBZIJAAMSQIV-MRXNPFEDSA-N	0	3	300.402	2.815	20	30		DFEDHN
COc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2CO)cc1C#N	ZINC000372772136	150183257	/nfs/dbraw/zinc/18/32/57/150183257.db2.gz	JHEGQEUNAQENMS-JXFKEZNVSA-N	0	3	322.408	2.952	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000372919547	150201533	/nfs/dbraw/zinc/20/15/33/150201533.db2.gz	CQOBGPYWLZMXNF-CQSZACIVSA-N	0	3	315.392	2.788	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](c2nccn2C)C1	ZINC000373106460	150231235	/nfs/dbraw/zinc/23/12/35/150231235.db2.gz	JFNNGRAWVSEHFO-INIZCTEOSA-N	0	3	310.401	2.680	20	30		DFEDHN
COc1cc(CN2CCC(Cc3nccn3C)CC2)ccc1C#N	ZINC000374228699	150326036	/nfs/dbraw/zinc/32/60/36/150326036.db2.gz	HSYJPAHOLNQQRQ-UHFFFAOYSA-N	0	3	324.428	2.755	20	30		DFEDHN
C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc(C#N)c1	ZINC000132560316	196265677	/nfs/dbraw/zinc/26/56/77/196265677.db2.gz	KUYNYLIUCQZOAE-IUODEOHRSA-N	0	3	315.417	2.821	20	30		DFEDHN
C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1ccccc1C#N	ZINC000132680222	196275964	/nfs/dbraw/zinc/27/59/64/196275964.db2.gz	GNSWCLORJULLMI-DOMZBBRYSA-N	0	3	315.417	2.821	20	30		DFEDHN
Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc(C)n1	ZINC000133320807	196329313	/nfs/dbraw/zinc/32/93/13/196329313.db2.gz	YULBSJPVZSCTFP-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
C=CC[C@@H]1CCCN(Cc2ccc(N(C)CCOC)nc2)C1	ZINC000668494056	543815013	/nfs/dbraw/zinc/81/50/13/543815013.db2.gz	VCSDCSXWRKTYQZ-MRXNPFEDSA-N	0	3	303.450	2.952	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](CN2CCCC2=O)C1	ZINC000668717158	543852481	/nfs/dbraw/zinc/85/24/81/543852481.db2.gz	QVHQXNWHKOCHAN-INIZCTEOSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)cc1	ZINC000668732287	543855518	/nfs/dbraw/zinc/85/55/18/543855518.db2.gz	OMZSCQCLOLBSJP-QGZVFWFLSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=C(C)[C@@H](CO)N[C@H](c1cncc(Br)c1)C1CC1	ZINC000671249076	544063314	/nfs/dbraw/zinc/06/33/14/544063314.db2.gz	KPCNPSXPLQPWRE-KGLIPLIRSA-N	0	3	311.223	2.822	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H]([C@H]2CNC(=O)C2)C1	ZINC000671444621	544073385	/nfs/dbraw/zinc/07/33/85/544073385.db2.gz	ZJDCUZIMBFNNRK-NVXWUHKLSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1	ZINC000670396042	544037005	/nfs/dbraw/zinc/03/70/05/544037005.db2.gz	OIBZVXRTANFDPC-MRXNPFEDSA-N	0	3	310.482	2.673	20	30		DFEDHN
C=C(CNC(=O)N[C@@H](CC)CN1CCCC1)c1ccccc1	ZINC000672942433	544161507	/nfs/dbraw/zinc/16/15/07/544161507.db2.gz	HSXRAEMVBBVFRM-KRWDZBQOSA-N	0	3	301.434	2.873	20	30		DFEDHN
C=CCCOCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000673750269	544195894	/nfs/dbraw/zinc/19/58/94/544195894.db2.gz	TWEYPYYXONKBCO-KRWDZBQOSA-N	0	3	316.445	2.702	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1	ZINC000194773340	335081805	/nfs/dbraw/zinc/08/18/05/335081805.db2.gz	MQDMOBDVLQQIKO-UGUYLWEFSA-N	0	3	302.422	2.795	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1COC)C(C)C	ZINC000674613977	544246907	/nfs/dbraw/zinc/24/69/07/544246907.db2.gz	BBMPOWGXFAMOMW-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)C(C#N)c1ccc2ccccc2n1	ZINC000674408033	544238407	/nfs/dbraw/zinc/23/84/07/544238407.db2.gz	ZCFJFBBPEPBAOF-AWEZNQCLSA-N	0	3	300.321	2.935	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CN(CC)C[C@H]2C)c1	ZINC000674848669	544269529	/nfs/dbraw/zinc/26/95/29/544269529.db2.gz	GDGJIOIBBPYDCO-CJNGLKHVSA-N	0	3	303.406	2.713	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CN(CC)C[C@H]1C	ZINC000674889521	544274834	/nfs/dbraw/zinc/27/48/34/544274834.db2.gz	QXRIZQAGKAAASA-RHSMWYFYSA-N	0	3	319.424	2.864	20	30		DFEDHN
C=C(C)CCN1CC[C@@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000681405459	545638334	/nfs/dbraw/zinc/63/83/34/545638334.db2.gz	ZPICCDIFTIBQOP-OAHLLOKOSA-N	0	3	305.422	2.626	20	30		DFEDHN
C=C(C)CCN1CC[C@@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000681404193	545638364	/nfs/dbraw/zinc/63/83/64/545638364.db2.gz	FPXORXXSUKXGDH-OAHLLOKOSA-N	0	3	320.437	2.582	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cnccc2C)CC1	ZINC000678441250	544674753	/nfs/dbraw/zinc/67/47/53/544674753.db2.gz	VITHQZCHFMNRPN-HNNXBMFYSA-N	0	3	316.449	2.791	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCN(c2ccncc2)CC1	ZINC000678860379	544738567	/nfs/dbraw/zinc/73/85/67/544738567.db2.gz	LSJQQZUDPVLKDZ-HNNXBMFYSA-N	0	3	302.422	2.658	20	30		DFEDHN
C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000301956523	230003206	/nfs/dbraw/zinc/00/32/06/230003206.db2.gz	KYGWAJOJLINUTB-GOEBONIOSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(CC)C2)c1	ZINC000056752869	425895839	/nfs/dbraw/zinc/89/58/39/425895839.db2.gz	HBLBCYKVJGIUHX-OAHLLOKOSA-N	0	3	303.406	2.857	20	30		DFEDHN
N#CC1CCN(CCC(=O)NCc2ccccc2Cl)CC1	ZINC000057879142	425897198	/nfs/dbraw/zinc/89/71/98/425897198.db2.gz	LALTYIAWNQGXOE-UHFFFAOYSA-N	0	3	305.809	2.582	20	30		DFEDHN
C[C@@H](CCc1ccc2c(c1)OCO2)NCc1nc(C#N)cs1	ZINC000352836664	269834394	/nfs/dbraw/zinc/83/43/94/269834394.db2.gz	WFLOPNQRGGWLDA-NSHDSACASA-N	0	3	315.398	2.854	20	30		DFEDHN
C[C@H](NCc1cccc(C#N)c1)c1cccc(-n2ccnn2)c1	ZINC000348114872	269879954	/nfs/dbraw/zinc/87/99/54/269879954.db2.gz	YNTBKQVBIMGKDM-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2nccc(C#N)c2Cl)C[C@@H](C)C1	ZINC000488754420	269896100	/nfs/dbraw/zinc/89/61/00/269896100.db2.gz	UWGWHCUMZXKKQO-SGMGOOAPSA-N	0	3	304.825	2.773	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1ccc(C#N)[nH]1)c1ccccc1	ZINC000124582913	425927675	/nfs/dbraw/zinc/92/76/75/425927675.db2.gz	FGEIBHILAHFSEV-CYBMUJFWSA-N	0	3	310.401	2.746	20	30		DFEDHN
CSc1ccc([C@@H](CNc2cncc(C#N)n2)N(C)C)cc1	ZINC000420637100	270000497	/nfs/dbraw/zinc/00/04/97/270000497.db2.gz	NGBHGNVWRZHHQV-OAHLLOKOSA-N	0	3	313.430	2.785	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCc1ccc(C#N)s1	ZINC000422215095	270000885	/nfs/dbraw/zinc/00/08/85/270000885.db2.gz	HOAISJLLAYGCPD-UHFFFAOYSA-N	0	3	320.462	2.637	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000124690237	425932824	/nfs/dbraw/zinc/93/28/24/425932824.db2.gz	BMOLPEXAFRQAHL-GOEBONIOSA-N	0	3	302.418	2.806	20	30		DFEDHN
CC#CCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000156557700	425934927	/nfs/dbraw/zinc/93/49/27/425934927.db2.gz	JYIRNVRVLIWBJL-CYBMUJFWSA-N	0	3	305.809	2.799	20	30		DFEDHN
CC#CCCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000156558094	425935097	/nfs/dbraw/zinc/93/50/97/425935097.db2.gz	RMQHSQWTGLNIEK-UHFFFAOYSA-N	0	3	305.809	2.799	20	30		DFEDHN
CCCCN(CCOC)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280214676	266030509	/nfs/dbraw/zinc/03/05/09/266030509.db2.gz	AIIPFQBWQWIBJA-KRWDZBQOSA-N	0	3	313.401	2.516	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000344967762	266334558	/nfs/dbraw/zinc/33/45/58/266334558.db2.gz	CXONWRIUGHTPRK-JSGCOSHPSA-N	0	3	316.405	2.561	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](CC)O1	ZINC000398552085	266380078	/nfs/dbraw/zinc/38/00/78/266380078.db2.gz	YCCJCEPTMYHZPZ-CALCHBBNSA-N	0	3	315.417	2.776	20	30		DFEDHN
CN(C[C@@H]1CC=CCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000344064462	266553146	/nfs/dbraw/zinc/55/31/46/266553146.db2.gz	OHEQBRHSMBSWLP-SJLPKXTDSA-N	0	3	309.413	2.952	20	30		DFEDHN
C[C@@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000342565417	267016507	/nfs/dbraw/zinc/01/65/07/267016507.db2.gz	GQRBVHUTXNDUHD-QAPCUYQASA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)CN1C	ZINC000351945731	267052511	/nfs/dbraw/zinc/05/25/11/267052511.db2.gz	UAGRPGWQVVBQKB-VXGBXAGGSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000361403891	267055821	/nfs/dbraw/zinc/05/58/21/267055821.db2.gz	KBBKINTYHOXXRO-PBHICJAKSA-N	0	3	322.412	2.527	20	30		DFEDHN
CCN(CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1	ZINC000425437825	267064291	/nfs/dbraw/zinc/06/42/91/267064291.db2.gz	BXLRMGCXOVWTMG-CQSZACIVSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)o2)CCN1Cc1ccccc1	ZINC000342285300	267090702	/nfs/dbraw/zinc/09/07/02/267090702.db2.gz	UJXFIGGHMQQJIA-GDBMZVCRSA-N	0	3	323.396	2.934	20	30		DFEDHN
CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccccc2C#N)C1	ZINC000495563776	267122190	/nfs/dbraw/zinc/12/21/90/267122190.db2.gz	IBZZXUIJIDOANA-RHSMWYFYSA-N	0	3	315.417	2.905	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F	ZINC000449509155	267132066	/nfs/dbraw/zinc/13/20/66/267132066.db2.gz	IPDVPTKMXFTBOT-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccc(O)c1	ZINC000352064909	267175234	/nfs/dbraw/zinc/17/52/34/267175234.db2.gz	DUXHNNZDNWFRTE-SUMWQHHRSA-N	0	3	319.364	2.824	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cccnc1	ZINC000349429586	267175851	/nfs/dbraw/zinc/17/58/51/267175851.db2.gz	QVLYOBLUADEJPT-SUMWQHHRSA-N	0	3	304.353	2.513	20	30		DFEDHN
C[C@H](NCc1nc(C#N)cs1)[C@@H](c1ccccc1)N(C)C	ZINC000352861376	267185055	/nfs/dbraw/zinc/18/50/55/267185055.db2.gz	HNRDWVAHFVCTPO-LRDDRELGSA-N	0	3	300.431	2.796	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000450852883	267185323	/nfs/dbraw/zinc/18/53/23/267185323.db2.gz	ABOSCVPTUZRDTO-GFCCVEGCSA-N	0	3	317.824	2.780	20	30		DFEDHN
CC[C@@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccc(C#N)cc1	ZINC000447518504	267194128	/nfs/dbraw/zinc/19/41/28/267194128.db2.gz	WIFSKTFTHKDOSM-RTBURBONSA-N	0	3	315.461	2.956	20	30		DFEDHN
CC[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000459408678	267194982	/nfs/dbraw/zinc/19/49/82/267194982.db2.gz	XRSLGKWWAQGPPU-OAHLLOKOSA-N	0	3	303.362	2.761	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000442674417	267202404	/nfs/dbraw/zinc/20/24/04/267202404.db2.gz	WIRUISYTQOIROA-KVSKMBFKSA-N	0	3	313.445	2.662	20	30		DFEDHN
CC[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)cc1	ZINC000414338569	267221031	/nfs/dbraw/zinc/22/10/31/267221031.db2.gz	YIEPSHYUIMUQMG-INIZCTEOSA-N	0	3	320.458	2.814	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)Cc1cccc(C#N)c1	ZINC000527341696	267280443	/nfs/dbraw/zinc/28/04/43/267280443.db2.gz	GELMZFDAFDUUFF-UHFFFAOYSA-N	0	3	307.397	2.844	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1	ZINC000421320327	267280517	/nfs/dbraw/zinc/28/05/17/267280517.db2.gz	AMPHPECXGXULKQ-GOSISDBHSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2ccc(C#N)s2)c1	ZINC000487479116	267281484	/nfs/dbraw/zinc/28/14/84/267281484.db2.gz	TUOVGZJUMXSJJE-UHFFFAOYSA-N	0	3	315.398	2.812	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000421103235	267309528	/nfs/dbraw/zinc/30/95/28/267309528.db2.gz	VOGHINSNQMOSLT-CQSZACIVSA-N	0	3	317.437	2.673	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)/C=C\c2cccc(C#N)c2)CC1	ZINC000492318746	267333329	/nfs/dbraw/zinc/33/33/29/267333329.db2.gz	JAKMINGKGSAJET-SREVYHEPSA-N	0	3	309.413	2.658	20	30		DFEDHN
CN1CC[C@@H]2CN(c3c(C#N)cnc4ccc(Cl)cc43)C[C@@H]21	ZINC000450779453	267340186	/nfs/dbraw/zinc/34/01/86/267340186.db2.gz	NQHWEGPBCNGXEP-BZNIZROVSA-N	0	3	312.804	2.900	20	30		DFEDHN
COC(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000496325381	267375111	/nfs/dbraw/zinc/37/51/11/267375111.db2.gz	LDGSAKJNTAIVCT-LLVKDONJSA-N	0	3	305.353	2.579	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2F)[C@H]1C(C)C	ZINC000429369876	267385061	/nfs/dbraw/zinc/38/50/61/267385061.db2.gz	CQIXLDMVLFJUAW-HOCLYGCPSA-N	0	3	304.365	2.717	20	30		DFEDHN
COC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2)C1	ZINC000428796703	267395900	/nfs/dbraw/zinc/39/59/00/267395900.db2.gz	MTHOGSSACDEMQR-HXUWFJFHSA-N	0	3	320.392	2.875	20	30		DFEDHN
CN(C)CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000179870662	267709516	/nfs/dbraw/zinc/70/95/16/267709516.db2.gz	OTHXKVOGPWJCAL-UHFFFAOYSA-N	0	3	322.412	2.586	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)Cc1cccc(C#N)c1	ZINC000026329434	425810893	/nfs/dbraw/zinc/81/08/93/425810893.db2.gz	FPXCGFPUZJXXQP-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1	ZINC000025865768	425808109	/nfs/dbraw/zinc/80/81/09/425808109.db2.gz	ZASHADHDVMCSBF-CRAIPNDOSA-N	0	3	310.397	2.843	20	30		DFEDHN
Cc1nnc(NC[C@@H](c2cccc(F)c2)N(C)C)c(C#N)c1C	ZINC000029371917	425826240	/nfs/dbraw/zinc/82/62/40/425826240.db2.gz	MYELCENWRXKERG-INIZCTEOSA-N	0	3	313.380	2.819	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1OC	ZINC000041519878	425852006	/nfs/dbraw/zinc/85/20/06/425852006.db2.gz	KYOWVFRLSGIMJX-LLVKDONJSA-N	0	3	302.355	2.959	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2)n1	ZINC000041519055	425852256	/nfs/dbraw/zinc/85/22/56/425852256.db2.gz	HSGQTLIAHSQMFF-ZDUSSCGKSA-N	0	3	309.354	2.522	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3c(c2)OCCCO3)nc(C)n1	ZINC000041573827	425852427	/nfs/dbraw/zinc/85/24/27/425852427.db2.gz	CYPCIKSUFPXZAB-CQSZACIVSA-N	0	3	323.352	2.745	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)/C=C/c1cccc(C#N)c1	ZINC000042018534	425852689	/nfs/dbraw/zinc/85/26/89/425852689.db2.gz	HHXNDMPXELOKKA-ZHACJKMWSA-N	0	3	319.408	2.949	20	30		DFEDHN
Cc1cc(Cl)c2ncc(C#N)c(N3CCN[C@H](C)C3)c2c1	ZINC000420250081	268001291	/nfs/dbraw/zinc/00/12/91/268001291.db2.gz	YUSXPNBSISLDNJ-LLVKDONJSA-N	0	3	300.793	2.866	20	30		DFEDHN
Cc1cc(NC(=O)CNc2cccc(C#N)c2)ccc1CN(C)C	ZINC000458262962	268006614	/nfs/dbraw/zinc/00/66/14/268006614.db2.gz	ADLZWVYPAYKNNT-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
N#Cc1ccc(Br)c(CNC2(CO)CCCC2)c1	ZINC000191814204	268015576	/nfs/dbraw/zinc/01/55/76/268015576.db2.gz	HGZHNHBAXAUWQA-UHFFFAOYSA-N	0	3	309.207	2.715	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2cc(C)c(C#N)cn2)N(C)C)cc1	ZINC000457512564	268046144	/nfs/dbraw/zinc/04/61/44/268046144.db2.gz	SRSGXGJKFXDLPN-SFHVURJKSA-N	0	3	322.412	2.603	20	30		DFEDHN
Cc1cccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000449338274	268051549	/nfs/dbraw/zinc/05/15/49/268051549.db2.gz	UTNPOJJPNDMQLL-GOSISDBHSA-N	0	3	307.397	2.958	20	30		DFEDHN
N#Cc1ccc(CNCCCN2CCCCCC2=O)c(F)c1	ZINC000343080735	268072200	/nfs/dbraw/zinc/07/22/00/268072200.db2.gz	UQYBJYDQGQBLTP-UHFFFAOYSA-N	0	3	303.381	2.580	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000344347292	268075320	/nfs/dbraw/zinc/07/53/20/268075320.db2.gz	SVPXNKIEEFNEIW-GJZGRUSLSA-N	0	3	322.380	2.947	20	30		DFEDHN
N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000344347291	268076144	/nfs/dbraw/zinc/07/61/44/268076144.db2.gz	SVPXNKIEEFNEIW-CABCVRRESA-N	0	3	322.380	2.947	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1	ZINC000352836406	268076377	/nfs/dbraw/zinc/07/63/77/268076377.db2.gz	TUCFSKZBGCTDJY-ZDUSSCGKSA-N	0	3	309.335	2.903	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](c3ccco3)C2)cc1	ZINC000366215848	268084265	/nfs/dbraw/zinc/08/42/65/268084265.db2.gz	LGCPFPAHQPOYKB-SJORKVTESA-N	0	3	319.364	2.850	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccccc3C2)cc1	ZINC000348208929	268084374	/nfs/dbraw/zinc/08/43/74/268084374.db2.gz	HXJHMKVLUPJLGD-SFHVURJKSA-N	0	3	301.349	2.783	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C3CC3)C2)cc1	ZINC000290734415	268084382	/nfs/dbraw/zinc/08/43/82/268084382.db2.gz	WUUDFCLDRQMEKZ-ROUUACIJSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)cn2)cc1	ZINC000348394470	268085110	/nfs/dbraw/zinc/08/51/10/268085110.db2.gz	FBBIXXSJURBMLG-AWEZNQCLSA-N	0	3	324.771	2.605	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1	ZINC000195001203	268124067	/nfs/dbraw/zinc/12/40/67/268124067.db2.gz	YJFWBCWBNWLWFD-FQEVSTJZSA-N	0	3	324.424	2.610	20	30		DFEDHN
Cn1cc(CNCCOc2ccc(F)c(Cl)c2)cc1C#N	ZINC000449402641	268128286	/nfs/dbraw/zinc/12/82/86/268128286.db2.gz	SEGAFIZGJWLIGV-UHFFFAOYSA-N	0	3	307.756	2.858	20	30		DFEDHN
N#Cc1ccc(CNC2(CO)Cc3ccccc3C2)c(Cl)c1	ZINC000436265740	268232176	/nfs/dbraw/zinc/23/21/76/268232176.db2.gz	MQLUYZKWVSZXJH-UHFFFAOYSA-N	0	3	312.800	2.831	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H]2Cn2cc(C3CC3)nn2)c1	ZINC000344022924	268247738	/nfs/dbraw/zinc/24/77/38/268247738.db2.gz	HLTPEMCAPGCNSB-KRWDZBQOSA-N	0	3	307.401	2.692	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)/C=C/c1ccc(C#N)cc1	ZINC000272207544	268251232	/nfs/dbraw/zinc/25/12/32/268251232.db2.gz	QXWBTOHZAIUROD-HVHJFMEUSA-N	0	3	311.429	2.760	20	30		DFEDHN
N#Cc1ccc([C@@H](NCC[C@H]2CCc3ccccc32)C(N)=O)cc1	ZINC000419209225	268262696	/nfs/dbraw/zinc/26/26/96/268262696.db2.gz	SOVXBMOSACTOMT-VQIMIIECSA-N	0	3	319.408	2.794	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1	ZINC000292657062	268264396	/nfs/dbraw/zinc/26/43/96/268264396.db2.gz	ACZCNMMXSPUXRU-YJBOKZPZSA-N	0	3	322.412	2.901	20	30		DFEDHN
N#Cc1cccc(/C=C\C(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000491560794	268268480	/nfs/dbraw/zinc/26/84/80/268268480.db2.gz	GWWCXEBBGAQJFY-ZEVQVBBLSA-N	0	3	309.413	2.658	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C2CCCC2)C1	ZINC000425235109	268293635	/nfs/dbraw/zinc/29/36/35/268293635.db2.gz	YUCGPCBTBZNTGS-CYBMUJFWSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1cccc2c1CCN2C(=O)C1CN(C2CCCCC2)C1	ZINC000421968713	268293852	/nfs/dbraw/zinc/29/38/52/268293852.db2.gz	OCYWYYMFNXHCCS-UHFFFAOYSA-N	0	3	309.413	2.712	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2cc(C#N)ccn2)C1	ZINC000323893146	268349969	/nfs/dbraw/zinc/34/99/69/268349969.db2.gz	IJNFHMCCROSQEL-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
CC(C)C[C@H](C)CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000330387906	268353178	/nfs/dbraw/zinc/35/31/78/268353178.db2.gz	MXJDPHAACBOPIP-LSDHHAIUSA-N	0	3	301.438	2.541	20	30		DFEDHN
CC(=O)Nc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1C	ZINC000049406594	425879244	/nfs/dbraw/zinc/87/92/44/425879244.db2.gz	NJSOVOCCKSHGRQ-OAHLLOKOSA-N	0	3	322.368	2.850	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)cn1	ZINC000107566744	425996015	/nfs/dbraw/zinc/99/60/15/425996015.db2.gz	NUPCQKYJHZERCS-UHFFFAOYSA-N	0	3	314.433	2.537	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1ccc2nnc(C)n2n1)C(C)C	ZINC000071964277	426006138	/nfs/dbraw/zinc/00/61/38/426006138.db2.gz	CFQRYKAASQKMDV-OAHLLOKOSA-N	0	3	314.437	2.543	20	30		DFEDHN
CC(C)CC[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000158117273	425941096	/nfs/dbraw/zinc/94/10/96/425941096.db2.gz	LVWMPUXAIUGGRS-KRWDZBQOSA-N	0	3	318.465	2.933	20	30		DFEDHN
C=C(C)CN(CC)Cc1ccc(OCC(=O)NCC)c(OC)c1	ZINC000159012662	425952365	/nfs/dbraw/zinc/95/23/65/425952365.db2.gz	SRRJMTUOXQBHAH-UHFFFAOYSA-N	0	3	320.433	2.608	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1	ZINC000106034011	425970233	/nfs/dbraw/zinc/97/02/33/425970233.db2.gz	YMDNAANKWVGRAZ-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cccc(C)c2)CC1	ZINC000106039858	425970254	/nfs/dbraw/zinc/97/02/54/425970254.db2.gz	KLQNTJVXOMHKHR-UHFFFAOYSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2cccc(OC)c2)CC1	ZINC000106039533	425970481	/nfs/dbraw/zinc/97/04/81/425970481.db2.gz	QIDSXGTWJVOLCK-BQYQJAHWSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1	ZINC000106037875	425970932	/nfs/dbraw/zinc/97/09/32/425970932.db2.gz	HDUFPMWHUYFNPR-UHFFFAOYSA-N	0	3	311.429	2.648	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCCc3occc32)CC1	ZINC000106258840	425971936	/nfs/dbraw/zinc/97/19/36/425971936.db2.gz	USYSCUYDTKPBQM-INIZCTEOSA-N	0	3	317.433	2.997	20	30		DFEDHN
Cc1nn(C)c(C)c1CN[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000109077911	426027945	/nfs/dbraw/zinc/02/79/45/426027945.db2.gz	KOEZBWDQNVUPAE-KRWDZBQOSA-N	0	3	323.444	2.667	20	30		DFEDHN
CN(C)CCN(Cc1ccc(Cl)cc1)c1cnc(C#N)cn1	ZINC000127091217	426050538	/nfs/dbraw/zinc/05/05/38/426050538.db2.gz	CQGBOHMSEGJREB-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCC1	ZINC000163093935	426088659	/nfs/dbraw/zinc/08/86/59/426088659.db2.gz	KJZGTBTXRBFUJI-CYBMUJFWSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C2CCCCC2)CC1	ZINC000163057453	426088672	/nfs/dbraw/zinc/08/86/72/426088672.db2.gz	WLIAOBOUHHJEKH-KRWDZBQOSA-N	0	3	321.509	2.750	20	30		DFEDHN
CC1(C)CCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163107625	426089464	/nfs/dbraw/zinc/08/94/64/426089464.db2.gz	SHEPDVPYUPJFLB-OAHLLOKOSA-N	0	3	306.431	2.500	20	30		DFEDHN
CN(CCc1cccs1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000075965946	426090962	/nfs/dbraw/zinc/09/09/62/426090962.db2.gz	OKNFVOPLFLAIAW-HNNXBMFYSA-N	0	3	316.426	2.534	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1	ZINC000163152383	426091624	/nfs/dbraw/zinc/09/16/24/426091624.db2.gz	IFYAXNADUHBYBS-CPUCHLNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
CN(CCc1cccs1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000075965948	426091734	/nfs/dbraw/zinc/09/17/34/426091734.db2.gz	OKNFVOPLFLAIAW-OAHLLOKOSA-N	0	3	316.426	2.534	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H]2CCCO2)cc1OCCCC#N	ZINC000128101383	426101012	/nfs/dbraw/zinc/10/10/12/426101012.db2.gz	UJUPHASRSWUPLP-INIZCTEOSA-N	0	3	318.417	2.989	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C	ZINC000076389746	426110817	/nfs/dbraw/zinc/11/08/17/426110817.db2.gz	MRFVZUYDTGTQFD-YCPHGPKFSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000128581515	426123205	/nfs/dbraw/zinc/12/32/05/426123205.db2.gz	QWNDAQDDXFRKEM-KRWDZBQOSA-N	0	3	312.417	2.755	20	30		DFEDHN
N#Cc1ccccc1OCCN(CCO)[C@@H]1CCc2ccccc21	ZINC000114192119	426129471	/nfs/dbraw/zinc/12/94/71/426129471.db2.gz	LTNGDXNYJVAEAA-LJQANCHMSA-N	0	3	322.408	2.919	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N(CC)C[C@@H](C)C#N	ZINC000128732935	426130477	/nfs/dbraw/zinc/13/04/77/426130477.db2.gz	HGTTUFZHQQXOQN-FUHWJXTLSA-N	0	3	315.461	2.948	20	30		DFEDHN
N#Cc1cc(N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-]	ZINC000167172537	426130866	/nfs/dbraw/zinc/13/08/66/426130866.db2.gz	BGUQMADECZRNDA-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CC[C@H](N2CCCC2)C1	ZINC000168537284	426135601	/nfs/dbraw/zinc/13/56/01/426135601.db2.gz	DIFKZIKUQFLKQC-LBPRGKRZSA-N	0	3	320.234	2.995	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN(CC)CCC#N)CC1	ZINC000127626459	426076456	/nfs/dbraw/zinc/07/64/56/426076456.db2.gz	FTBKIBDBWUNOAW-UHFFFAOYSA-N	0	3	314.477	2.954	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000116972661	426204031	/nfs/dbraw/zinc/20/40/31/426204031.db2.gz	UJEJXPFENFWYJS-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cncc(F)c1)C(C)C	ZINC000129863105	426141379	/nfs/dbraw/zinc/14/13/79/426141379.db2.gz	UMSKLFKPAJRABY-INIZCTEOSA-N	0	3	305.397	2.649	20	30		DFEDHN
CN(CCN(C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1	ZINC000114713911	426143016	/nfs/dbraw/zinc/14/30/16/426143016.db2.gz	SHZXJBCAMVMSIO-UHFFFAOYSA-N	0	3	318.424	2.994	20	30		DFEDHN
C#CCNC(=O)[C@H](C)Nc1cccc2c1CN([C@@H](C)C(C)C)C2	ZINC000170789951	426150084	/nfs/dbraw/zinc/15/00/84/426150084.db2.gz	DBGITWYGTXBUGD-GJZGRUSLSA-N	0	3	313.445	2.597	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCc3ccccc3[C@H]2CO)c1	ZINC000130219008	426151005	/nfs/dbraw/zinc/15/10/05/426151005.db2.gz	SXJKWYSPHAOJFJ-HXUWFJFHSA-N	0	3	322.408	2.919	20	30		DFEDHN
Cc1ccccc1C(C)(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115599019	426168958	/nfs/dbraw/zinc/16/89/58/426168958.db2.gz	PMTVKRZMENBYMO-GOSISDBHSA-N	0	3	321.424	2.961	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H]1CCC[C@@H]1c1ccccc1)C1CC1	ZINC000133428047	426177520	/nfs/dbraw/zinc/17/75/20/426177520.db2.gz	ZHAUHHHWLJHWSQ-ZIFCJYIRSA-N	0	3	311.429	2.721	20	30		DFEDHN
C=CCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)CC1CCCCC1	ZINC000078652331	426179154	/nfs/dbraw/zinc/17/91/54/426179154.db2.gz	SYYMXXHEYBOOHO-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccccc2)C(C)(C)C1	ZINC000134257581	426185689	/nfs/dbraw/zinc/18/56/89/426185689.db2.gz	FNDVGOLNYUDCKR-NVXWUHKLSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3cc(F)ccc32)CC1	ZINC000171723746	426206523	/nfs/dbraw/zinc/20/65/23/426206523.db2.gz	QJJITPGKQRMLOI-QGZVFWFLSA-N	0	3	317.408	2.763	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCCc3occc32)CC1	ZINC000171713881	426206603	/nfs/dbraw/zinc/20/66/03/426206603.db2.gz	WGQJRKIWUQVYCF-OAHLLOKOSA-N	0	3	303.406	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(-n3ccnc3)c2)CC1	ZINC000117793411	426222825	/nfs/dbraw/zinc/22/28/25/426222825.db2.gz	GQUHDWYTBXYUAY-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)s1	ZINC000135680941	426227372	/nfs/dbraw/zinc/22/73/72/426227372.db2.gz	LUPICPSIFHFKDJ-SNVBAGLBSA-N	0	3	303.353	2.594	20	30		DFEDHN
CC(C)n1cnnc1[C@@H]1CCCN(CCCSCC#N)C1	ZINC000136057327	426234115	/nfs/dbraw/zinc/23/41/15/426234115.db2.gz	UPGARDUSAVZJIS-CQSZACIVSA-N	0	3	307.467	2.685	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1cccc(O)c1)C(C)C	ZINC000084926523	426246307	/nfs/dbraw/zinc/24/63/07/426246307.db2.gz	OQYKJICEJAZUIB-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)C[C@@H]2CCCN(C)C2)c1C	ZINC000118843654	426249031	/nfs/dbraw/zinc/24/90/31/426249031.db2.gz	DQOIOFSLXJTOJB-QGZVFWFLSA-N	0	3	317.477	2.747	20	30		DFEDHN
C[C@H](NCCNC(=O)c1ccccc1F)c1ccc(C#N)cc1	ZINC000173985716	426251068	/nfs/dbraw/zinc/25/10/68/426251068.db2.gz	RVTSNXYAKLJUGN-ZDUSSCGKSA-N	0	3	311.360	2.778	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2Br)CC1	ZINC000171725310	426207438	/nfs/dbraw/zinc/20/74/38/426207438.db2.gz	VDXKISXVHGJJKN-UHFFFAOYSA-N	0	3	323.234	2.829	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC)c2nc(C)cs2)CC1	ZINC000171735642	426207671	/nfs/dbraw/zinc/20/76/71/426207671.db2.gz	FIROTDZIDYNWBN-CQSZACIVSA-N	0	3	322.478	2.852	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1	ZINC000171726616	426207948	/nfs/dbraw/zinc/20/79/48/426207948.db2.gz	YTWGIZLUJCYYKW-ZDUSSCGKSA-N	0	3	322.836	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(N(C)C)c(C)c2)CC1	ZINC000171738313	426208095	/nfs/dbraw/zinc/20/80/95/426208095.db2.gz	JOEVVVFWXPIWDR-UHFFFAOYSA-N	0	3	316.449	2.833	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccc(Cl)cc2C)CC1	ZINC000171725022	426208107	/nfs/dbraw/zinc/20/81/07/426208107.db2.gz	COLISMQGOQRZPU-UHFFFAOYSA-N	0	3	322.836	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc3cccnc32)CC1	ZINC000171727930	426208202	/nfs/dbraw/zinc/20/82/02/426208202.db2.gz	DCOJWJOELSGQAO-UHFFFAOYSA-N	0	3	324.428	2.684	20	30		DFEDHN
CC(C)CC[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135306543	426212810	/nfs/dbraw/zinc/21/28/10/426212810.db2.gz	SHWRJRXFITXMMZ-INIZCTEOSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000120718835	426315053	/nfs/dbraw/zinc/31/50/53/426315053.db2.gz	OBEBBBASSXYWMP-SJLPKXTDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)Oc2ccccc2F)CC1	ZINC000175588045	426316277	/nfs/dbraw/zinc/31/62/77/426316277.db2.gz	NGWZCTULAZUNBN-INIZCTEOSA-N	0	3	320.408	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(CCOCC)CCC2)CC1	ZINC000120894975	426316813	/nfs/dbraw/zinc/31/68/13/426316813.db2.gz	DWPQKCSLMHMSLS-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1	ZINC000175866085	426335806	/nfs/dbraw/zinc/33/58/06/426335806.db2.gz	QYPYSXOFWBPHGO-PONJGIIJSA-N	0	3	320.458	2.736	20	30		DFEDHN
C=CCN(C)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000153608001	426394880	/nfs/dbraw/zinc/39/48/80/426394880.db2.gz	XIAVYOWGFYOJKY-UHFFFAOYSA-N	0	3	301.434	3.000	20	30		DFEDHN
C=CCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000153643694	426396960	/nfs/dbraw/zinc/39/69/60/426396960.db2.gz	GLBRHPJCPRCZFI-UHFFFAOYSA-N	0	3	301.434	2.651	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000121446817	426343805	/nfs/dbraw/zinc/34/38/05/426343805.db2.gz	BHWQKPSXVSHWBL-OIISXLGYSA-N	0	3	300.402	2.812	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)COC3)CC1	ZINC000092162044	426348782	/nfs/dbraw/zinc/34/87/82/426348782.db2.gz	DFIIFFPLCDBEGG-UHFFFAOYSA-N	0	3	315.417	2.879	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](C(=O)NCCC)C1	ZINC000092734056	426351008	/nfs/dbraw/zinc/35/10/08/426351008.db2.gz	AKUROAGMCFIJDM-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1	ZINC000092659933	426351420	/nfs/dbraw/zinc/35/14/20/426351420.db2.gz	VLHFUZVEAFKBSD-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
COC(=O)[C@@]1(C)CCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000093813647	426359032	/nfs/dbraw/zinc/35/90/32/426359032.db2.gz	CJIHUZAMGWCWJC-SFHVURJKSA-N	0	3	316.401	2.754	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@H](C)[C@@H](N)c1ccccc1	ZINC000152968896	426363427	/nfs/dbraw/zinc/36/34/27/426363427.db2.gz	DBOOPLXCWROBRP-DGCLKSJQSA-N	0	3	300.324	2.899	20	30		DFEDHN
C=CCN(C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000122376260	426372569	/nfs/dbraw/zinc/37/25/69/426372569.db2.gz	HVXKTAWDIREFCG-UHFFFAOYSA-N	0	3	316.449	2.787	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)CSc2ccc(C#N)cc2)CCN1C	ZINC000123209542	426420550	/nfs/dbraw/zinc/42/05/50/426420550.db2.gz	UKJGZGADQLZLDT-DZGCQCFKSA-N	0	3	317.458	2.591	20	30		DFEDHN
CC[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N(C)C	ZINC000123353426	426428475	/nfs/dbraw/zinc/42/84/75/426428475.db2.gz	QJXLWCTVTCVYFH-CQSZACIVSA-N	0	3	312.335	2.513	20	30		DFEDHN
C[C@](O)(CNCc1ccc(C#N)s1)c1ccc(F)cc1F	ZINC000176970019	426429149	/nfs/dbraw/zinc/42/91/49/426429149.db2.gz	FATCNAGJZJBBDN-HNNXBMFYSA-N	0	3	308.353	2.895	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1	ZINC000176968915	426429320	/nfs/dbraw/zinc/42/93/20/426429320.db2.gz	ZFFIDRNEMDDVFY-NSHDSACASA-N	0	3	307.419	2.719	20	30		DFEDHN
Cn1cc(C[C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)cn1	ZINC000154223836	426431473	/nfs/dbraw/zinc/43/14/73/426431473.db2.gz	ZINFIYLTTRXHJB-INIZCTEOSA-N	0	3	313.832	2.990	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000340712169	269002735	/nfs/dbraw/zinc/00/27/35/269002735.db2.gz	LYDKCMYEWYHXNB-KRWDZBQOSA-N	0	3	311.360	2.730	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000341170725	269051947	/nfs/dbraw/zinc/05/19/47/269051947.db2.gz	ACOPYUCEINVMKG-KRWDZBQOSA-N	0	3	311.360	2.730	20	30		DFEDHN
COC(=O)COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000341440940	269077461	/nfs/dbraw/zinc/07/74/61/269077461.db2.gz	LXLQBVBMGIXWLN-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccccc1	ZINC000154638082	426449473	/nfs/dbraw/zinc/44/94/73/426449473.db2.gz	VGPGZVNTTVTDHE-KRWDZBQOSA-N	0	3	310.401	2.699	20	30		DFEDHN
Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000155215926	426466399	/nfs/dbraw/zinc/46/63/99/426466399.db2.gz	XSLKQOAWDYDREE-IXDOHACOSA-N	0	3	313.445	2.933	20	30		DFEDHN
COCCOc1ccc(CNCc2cc(C#N)cs2)cc1	ZINC000177684888	426506657	/nfs/dbraw/zinc/50/66/57/426506657.db2.gz	DKYAMJYPEMDQBK-UHFFFAOYSA-N	0	3	302.399	2.935	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000280143967	426507110	/nfs/dbraw/zinc/50/71/10/426507110.db2.gz	AGTULYAIWPIXJG-LJQANCHMSA-N	0	3	317.392	2.908	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000186375078	426514897	/nfs/dbraw/zinc/51/48/97/426514897.db2.gz	YDHNGBFVVSYSIL-DLBZAZTESA-N	0	3	315.417	2.680	20	30		DFEDHN
Cn1nccc1C1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000195503145	426529546	/nfs/dbraw/zinc/52/95/46/426529546.db2.gz	LQSDEOKPVMGZBQ-UHFFFAOYSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc(Cl)c2)CC1	ZINC000264408738	426548620	/nfs/dbraw/zinc/54/86/20/426548620.db2.gz	NXOCMGVAPYPHLA-UHFFFAOYSA-N	0	3	307.825	2.790	20	30		DFEDHN
CCc1cnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280330280	426551637	/nfs/dbraw/zinc/55/16/37/426551637.db2.gz	JELZMCOWVNUOEM-AWEZNQCLSA-N	0	3	324.409	2.576	20	30		DFEDHN
N#Cc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1F	ZINC000264427078	426552014	/nfs/dbraw/zinc/55/20/14/426552014.db2.gz	AOWSHSAFHWUNNG-OAHLLOKOSA-N	0	3	316.380	2.789	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCCC[C@@H]1CN1CCOCC1	ZINC000186245009	426496975	/nfs/dbraw/zinc/49/69/75/426496975.db2.gz	IGNUTFDRWIJIRS-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cccc(Cl)c2)CC1	ZINC000264504884	426565026	/nfs/dbraw/zinc/56/50/26/426565026.db2.gz	RFCROTIWPUQCHF-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1c2cccc(F)c2CC[C@@H]1C	ZINC000272862906	426574475	/nfs/dbraw/zinc/57/44/75/426574475.db2.gz	NFYMQNPTGLVQFH-LRDDRELGSA-N	0	3	311.422	2.640	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000264587325	426575477	/nfs/dbraw/zinc/57/54/77/426575477.db2.gz	XQYMKJWMRQNPAG-QGZVFWFLSA-N	0	3	322.412	2.918	20	30		DFEDHN
C=CCOc1ccc(CNC2(CO)CCOCC2)cc1Cl	ZINC000265270473	426611424	/nfs/dbraw/zinc/61/14/24/426611424.db2.gz	UCNOXTDUXFUIGL-UHFFFAOYSA-N	0	3	311.809	2.536	20	30		DFEDHN
COCC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccco1	ZINC000273203163	426614333	/nfs/dbraw/zinc/61/43/33/426614333.db2.gz	AFYINRWBGIQVHS-HZPDHXFCSA-N	0	3	300.358	2.552	20	30		DFEDHN
CC(=O)NC1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000348680271	269571983	/nfs/dbraw/zinc/57/19/83/269571983.db2.gz	JUWIOCJPGGFBHQ-VCANKDNSSA-N	0	3	303.381	2.795	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CC)C[C@H](CC)c1ccccc1	ZINC000186601247	426561170	/nfs/dbraw/zinc/56/11/70/426561170.db2.gz	LOJVGCFALZBCMY-HNNXBMFYSA-N	0	3	317.433	2.514	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCC1(F)F	ZINC000289379655	426640122	/nfs/dbraw/zinc/64/01/22/426640122.db2.gz	CEMKKTTYYBKSEX-GFCCVEGCSA-N	0	3	307.344	2.864	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000187256244	426644030	/nfs/dbraw/zinc/64/40/30/426644030.db2.gz	FYTFZTAGKBYSRR-ZMSDIMECSA-N	0	3	304.434	2.775	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1(O)CCCCCC1	ZINC000187327020	426651386	/nfs/dbraw/zinc/65/13/86/426651386.db2.gz	LIDSJRXYYYTSQR-INIZCTEOSA-N	0	3	310.482	2.817	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H](C)C#N	ZINC000187411221	426659915	/nfs/dbraw/zinc/65/99/15/426659915.db2.gz	ZBSBKKYSLCQSRL-RDJZCZTQSA-N	0	3	316.449	2.602	20	30		DFEDHN
C=CCCCN(C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000265637159	426665103	/nfs/dbraw/zinc/66/51/03/426665103.db2.gz	TZUNYNMBAQCUCC-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
CC(C)(CO)NCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000236758259	426685543	/nfs/dbraw/zinc/68/55/43/426685543.db2.gz	XITJULICWRPKAM-UHFFFAOYSA-N	0	3	310.397	2.998	20	30		DFEDHN
CC[C@H](CNCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000227713020	426630697	/nfs/dbraw/zinc/63/06/97/426630697.db2.gz	HCKBEOHIDSHHQM-OAHLLOKOSA-N	0	3	303.406	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(F)(F)c2ccc(OC)cc2)CC1	ZINC000178887909	426714633	/nfs/dbraw/zinc/71/46/33/426714633.db2.gz	VNXUUGFXRDKKLF-UHFFFAOYSA-N	0	3	324.371	2.554	20	30		DFEDHN
C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000281359582	426717915	/nfs/dbraw/zinc/71/79/15/426717915.db2.gz	YHOHZDDHEPFHEA-BBRMVZONSA-N	0	3	313.426	2.595	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)c1	ZINC000188106805	426721707	/nfs/dbraw/zinc/72/17/07/426721707.db2.gz	XYRMWFYNFITPFJ-YOEHRIQHSA-N	0	3	303.402	2.882	20	30		DFEDHN
Cc1nn(C)cc1[C@H](C)NCc1ccc(N(C)CCC#N)cc1	ZINC000237607751	426694126	/nfs/dbraw/zinc/69/41/26/426694126.db2.gz	OTHUHSVMNCVVDH-AWEZNQCLSA-N	0	3	311.433	2.929	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1	ZINC000245766199	426770484	/nfs/dbraw/zinc/77/04/84/426770484.db2.gz	QVCQIOHZUWSMFL-GDBMZVCRSA-N	0	3	310.401	2.700	20	30		DFEDHN
C[C@H](N[C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000266281668	426724630	/nfs/dbraw/zinc/72/46/30/426724630.db2.gz	GOZWMCKBPNHNEH-GMXVVIOVSA-N	0	3	321.808	2.553	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@H](O)c2cccc(F)c2)ccc1C#N	ZINC000281606205	426729380	/nfs/dbraw/zinc/72/93/80/426729380.db2.gz	GFUFZXZMEMJGGF-XIKOKIGWSA-N	0	3	314.360	2.918	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccccc2)[C@H]1C	ZINC000266948855	426802584	/nfs/dbraw/zinc/80/25/84/426802584.db2.gz	SQGNQVTXQJFFHU-JFIYKMOQSA-N	0	3	313.445	2.700	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1	ZINC000246196525	426809195	/nfs/dbraw/zinc/80/91/95/426809195.db2.gz	LPIXDHRISDUCOD-KBRIMQKVSA-N	0	3	318.442	2.684	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1	ZINC000267032098	426813154	/nfs/dbraw/zinc/81/31/54/426813154.db2.gz	IJAOXCKQUGRHHK-INIZCTEOSA-N	0	3	315.417	2.647	20	30		DFEDHN
CN(C)[C@]1(CNc2c(C#N)cnc3ccccc32)CCSC1	ZINC000267032440	426813661	/nfs/dbraw/zinc/81/36/61/426813661.db2.gz	BHNHLPOJMSJKEJ-KRWDZBQOSA-N	0	3	312.442	2.956	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H](C)C2CCOCC2)c(C#N)c1C	ZINC000179870936	426823509	/nfs/dbraw/zinc/82/35/09/426823509.db2.gz	PZOHIYPRWCBKQG-NSHDSACASA-N	0	3	321.446	2.580	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](c2ccc(OC)cc2)C2CC2)C1=O	ZINC000282078714	426825018	/nfs/dbraw/zinc/82/50/18/426825018.db2.gz	UFMQXEJVLWIMJI-IAGOWNOFSA-N	0	3	300.402	2.523	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000246419764	426833078	/nfs/dbraw/zinc/83/30/78/426833078.db2.gz	IFYAXNADUHBYBS-JKIFEVAISA-N	0	3	320.458	2.746	20	30		DFEDHN
N#Cc1ccc(N2CCC(CN3CCOCC3)CC2)cc1Cl	ZINC000267180245	426838431	/nfs/dbraw/zinc/83/84/31/426838431.db2.gz	FILSRQCSEWEXSD-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1(CCF)CC1	ZINC000290807363	426843788	/nfs/dbraw/zinc/84/37/88/426843788.db2.gz	VLXQPUMVXCHFKI-UHFFFAOYSA-N	0	3	317.408	2.588	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N(CC)C[C@H](C)C#N	ZINC000246621453	426851911	/nfs/dbraw/zinc/85/19/11/426851911.db2.gz	HGTTUFZHQQXOQN-AEFFLSMTSA-N	0	3	315.461	2.948	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000246050778	426793072	/nfs/dbraw/zinc/79/30/72/426793072.db2.gz	UJIHIEDERVONMF-CABCVRRESA-N	0	3	312.454	2.645	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1cncs1)C(C)C	ZINC000282478619	426914531	/nfs/dbraw/zinc/91/45/31/426914531.db2.gz	SMETWYONDXIUNX-KXPUMZMLSA-N	0	3	319.474	2.971	20	30		DFEDHN
Cc1nc(N2CCCN(Cc3ccccc3)CC2)ccc1C#N	ZINC000291581179	426920091	/nfs/dbraw/zinc/92/00/91/426920091.db2.gz	GDHCYSSFQCFOQF-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN(C2CC2)C1	ZINC000295288949	426893048	/nfs/dbraw/zinc/89/30/48/426893048.db2.gz	IILAPRFTCWZNPL-LBPRGKRZSA-N	0	3	317.820	2.768	20	30		DFEDHN
C=CCC[C@@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1	ZINC000189640661	426912530	/nfs/dbraw/zinc/91/25/30/426912530.db2.gz	JELYQWKWSKPJBZ-QZTJIDSGSA-N	0	3	316.445	2.525	20	30		DFEDHN
C=CCCC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1	ZINC000275979526	426960812	/nfs/dbraw/zinc/96/08/12/426960812.db2.gz	ODHFCJVRFXZHRI-QGZVFWFLSA-N	0	3	301.434	2.861	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@]3(O)CCCC[C@H]3C2)c1	ZINC000247886491	426965691	/nfs/dbraw/zinc/96/56/91/426965691.db2.gz	DEUHIVLNWREYMO-FUHWJXTLSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000276076367	426978088	/nfs/dbraw/zinc/97/80/88/426978088.db2.gz	KOFOWRQPCQNJAI-WBVHZDCISA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CC[C@H](N2CCCCC2)C1	ZINC000337813741	426979925	/nfs/dbraw/zinc/97/99/25/426979925.db2.gz	MSDIWTJQTNCBNO-INIZCTEOSA-N	0	3	315.465	2.796	20	30		DFEDHN
CC[C@@H]1C[C@H]1[NH+]=C([O-])N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000328599053	426979979	/nfs/dbraw/zinc/97/99/79/426979979.db2.gz	BPZFVCLLPSKMPS-FRRDWIJNSA-N	0	3	304.438	2.798	20	30		DFEDHN
CO[C@]1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCOC1	ZINC000328650862	426984567	/nfs/dbraw/zinc/98/45/67/426984567.db2.gz	BFEUFNLJSNQFDM-GOSISDBHSA-N	0	3	324.465	2.795	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1(C)C	ZINC000329180946	427059906	/nfs/dbraw/zinc/05/99/06/427059906.db2.gz	DQCORMGUMLIGCV-DMRZNYOFSA-N	0	3	324.465	2.646	20	30		DFEDHN
CC(C(=O)NC1CCCCCC1)S(=O)(=O)C1CCOCC1	ZINC000328789138	426997777	/nfs/dbraw/zinc/99/77/77/426997777.db2.gz	PRUKEIUPMXFEBP-LBPRGKRZSA-N	0	3	317.451	2.648	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC12CCC2	ZINC000291828012	427000564	/nfs/dbraw/zinc/00/05/64/427000564.db2.gz	CVVFMXUVPDDWSJ-WMZOPIPTSA-N	0	3	314.429	2.808	20	30		DFEDHN
Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)CC2	ZINC000328811243	427002586	/nfs/dbraw/zinc/00/25/86/427002586.db2.gz	MVGJAFQRISIISJ-CJNGLKHVSA-N	0	3	318.465	2.602	20	30		DFEDHN
Cc1ccc(CN(CCO)CCOc2ccccc2C#N)cc1	ZINC000181969092	427003513	/nfs/dbraw/zinc/00/35/13/427003513.db2.gz	BJICKVWQZZHQHG-UHFFFAOYSA-N	0	3	310.397	2.740	20	30		DFEDHN
C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12	ZINC000248455740	427004167	/nfs/dbraw/zinc/00/41/67/427004167.db2.gz	ZWNDDWKINKYFQJ-PMPSAXMXSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1	ZINC000328900907	427009517	/nfs/dbraw/zinc/00/95/17/427009517.db2.gz	YLFPSVHYDOGZFH-WBMJQRKESA-N	0	3	315.417	2.800	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCCN(c2ccccc2)C1=O	ZINC000328946795	427015843	/nfs/dbraw/zinc/01/58/43/427015843.db2.gz	GRACKMIWJJSUME-PMPSAXMXSA-N	0	3	315.417	2.527	20	30		DFEDHN
CN1C[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@H](c2ccccc2)C1	ZINC000329025841	427028217	/nfs/dbraw/zinc/02/82/17/427028217.db2.gz	NWCCKFRHGPXEEV-BQFCYCMXSA-N	0	3	302.418	2.592	20	30		DFEDHN
C=CCOc1ccc(CNCC(C)(C)C(=O)OC)cc1OC	ZINC000182230316	427032417	/nfs/dbraw/zinc/03/24/17/427032417.db2.gz	XXULPDZKXOAABB-UHFFFAOYSA-N	0	3	307.390	2.549	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337914829	427035233	/nfs/dbraw/zinc/03/52/33/427035233.db2.gz	SQKOBABQAMVHKR-HUUCEWRRSA-N	0	3	305.470	2.754	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000337914830	427035300	/nfs/dbraw/zinc/03/53/00/427035300.db2.gz	SQKOBABQAMVHKR-LSDHHAIUSA-N	0	3	305.470	2.754	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000268520978	427042619	/nfs/dbraw/zinc/04/26/19/427042619.db2.gz	FSQVDULNYKEWOC-QGZVFWFLSA-N	0	3	317.433	2.600	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCOC2)C1	ZINC000329201331	427064865	/nfs/dbraw/zinc/06/48/65/427064865.db2.gz	XRNQXZVQYNYMIQ-PVAVHDDUSA-N	0	3	317.433	2.505	20	30		DFEDHN
Cc1ccc([C@H](CN[C@H]2CCC[C@@H](C#N)C2)N2CCOCC2)o1	ZINC000248947744	427065462	/nfs/dbraw/zinc/06/54/62/427065462.db2.gz	ZLNFCOJAIXRCEN-IKGGRYGDSA-N	0	3	317.433	2.633	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3ccncc3)C2)cc1	ZINC000296076873	427066623	/nfs/dbraw/zinc/06/66/23/427066623.db2.gz	VRBJMFCJUQQTGF-RTBURBONSA-N	0	3	307.397	2.866	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC	ZINC000276434708	427067844	/nfs/dbraw/zinc/06/78/44/427067844.db2.gz	NZYVVJCMTOZOSB-KGLIPLIRSA-N	0	3	320.433	2.777	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN(C2CCCCC2)CC1	ZINC000337972467	427068658	/nfs/dbraw/zinc/06/86/58/427068658.db2.gz	PTVWLJFDVYGYDV-UHFFFAOYSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CCc3ccccc3F)C2)nc1	ZINC000292046194	427068753	/nfs/dbraw/zinc/06/87/53/427068753.db2.gz	AVVMWCHQSMVFGY-MRXNPFEDSA-N	0	3	311.360	2.788	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc2c1OCO2	ZINC000329229293	427069158	/nfs/dbraw/zinc/06/91/58/427069158.db2.gz	CMIIMLKGLGZNDA-QWHCGFSZSA-N	0	3	317.389	2.519	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329267333	427077854	/nfs/dbraw/zinc/07/78/54/427077854.db2.gz	DFSSLABYXSWAAV-GOEBONIOSA-N	0	3	321.465	2.630	20	30		DFEDHN
C[C@@H]1CCC[C@]1(O)CNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000329307335	427086899	/nfs/dbraw/zinc/08/68/99/427086899.db2.gz	POUZZDUATOUGAA-QAPCUYQASA-N	0	3	324.465	2.529	20	30		DFEDHN
Cc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292125282	427101862	/nfs/dbraw/zinc/10/18/62/427101862.db2.gz	RULBTTIXKDPMKS-KRWDZBQOSA-N	0	3	323.396	2.929	20	30		DFEDHN
Cc1cc([O-])c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C	ZINC000292125282	427101866	/nfs/dbraw/zinc/10/18/66/427101866.db2.gz	RULBTTIXKDPMKS-KRWDZBQOSA-N	0	3	323.396	2.929	20	30		DFEDHN
CC[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)C	ZINC000268721794	427103650	/nfs/dbraw/zinc/10/36/50/427103650.db2.gz	IGNSZCPSXFMUAI-CQSZACIVSA-N	0	3	312.335	2.513	20	30		DFEDHN
CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000190484828	427120340	/nfs/dbraw/zinc/12/03/40/427120340.db2.gz	XSBJQQYQLLUBFR-FQEVSTJZSA-N	0	3	320.440	2.907	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCCO1	ZINC000329460255	427120238	/nfs/dbraw/zinc/12/02/38/427120238.db2.gz	RVFWNFYUTWCOMR-ZYHUDNBSSA-N	0	3	309.435	2.767	20	30		DFEDHN
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)[C@@H]1CCCOC1	ZINC000329584950	427144481	/nfs/dbraw/zinc/14/44/81/427144481.db2.gz	XYNMOCIPQWGRAP-GNRIBBGQSA-N	0	3	317.451	2.504	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)C(C)C	ZINC000249951010	427151953	/nfs/dbraw/zinc/15/19/53/427151953.db2.gz	HNSVWHOZFTXGKH-GVDBMIGSSA-N	0	3	308.466	2.616	20	30		DFEDHN
Cn1cc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1C#N	ZINC000190719965	427165757	/nfs/dbraw/zinc/16/57/57/427165757.db2.gz	DHZUCDJKGMBUBP-IBGZPJMESA-N	0	3	308.429	2.823	20	30		DFEDHN
CC[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1	ZINC000284281708	427171767	/nfs/dbraw/zinc/17/17/67/427171767.db2.gz	JVTHYMNTWURRMH-IXDOHACOSA-N	0	3	304.434	2.757	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1	ZINC000183113543	427200543	/nfs/dbraw/zinc/20/05/43/427200543.db2.gz	DPEZKRXUNFETNK-JRPNMDOOSA-N	0	3	321.808	2.696	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000253385985	427200994	/nfs/dbraw/zinc/20/09/94/427200994.db2.gz	VDJYWDFMMNYOJR-WBVHZDCISA-N	0	3	314.429	2.979	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000253382849	427201165	/nfs/dbraw/zinc/20/11/65/427201165.db2.gz	JLUNTNZRJHPLQK-JFIYKMOQSA-N	0	3	316.445	2.919	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@]3(C2)CCCN(C)C3)c1C#N	ZINC000292850625	427201215	/nfs/dbraw/zinc/20/12/15/427201215.db2.gz	RJBGJCOZOYKZMV-MRXNPFEDSA-N	0	3	304.825	2.837	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1	ZINC000253374320	427201636	/nfs/dbraw/zinc/20/16/36/427201636.db2.gz	LYZFNUWSPIYHHJ-UHFFFAOYSA-N	0	3	323.396	2.609	20	30		DFEDHN
C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000293133489	427219989	/nfs/dbraw/zinc/21/99/89/427219989.db2.gz	PWERAIUHSHQAIM-UHFFFAOYSA-N	0	3	321.371	2.660	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Nc1ccccc1C(F)(F)F	ZINC000296596547	427226494	/nfs/dbraw/zinc/22/64/94/427226494.db2.gz	ODFPYUZEZMQEQC-UHFFFAOYSA-N	0	3	313.323	2.782	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC)c(C3CC3)c2)CC1	ZINC000277516452	427227372	/nfs/dbraw/zinc/22/73/72/427227372.db2.gz	ARGSZMNDUCATGH-UHFFFAOYSA-N	0	3	314.429	2.953	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000338274055	427228545	/nfs/dbraw/zinc/22/85/45/427228545.db2.gz	KCLZAJJWMIDCLP-GHMZBOCLSA-N	0	3	307.419	2.500	20	30		DFEDHN
N#Cc1ccc(/C=C/C(=O)NC[C@H]2CCCCN2C2CC2)cc1	ZINC000277556781	427241037	/nfs/dbraw/zinc/24/10/37/427241037.db2.gz	OUZDHCMMMNHRLE-VEGGFIAOSA-N	0	3	309.413	2.705	20	30		DFEDHN
COc1ccc(CN(CCCO)Cc2ccccc2)cc1C#N	ZINC000269670027	427247523	/nfs/dbraw/zinc/24/75/23/427247523.db2.gz	AEKNKLKJRAPZML-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2OC)C1	ZINC000330474838	427249252	/nfs/dbraw/zinc/24/92/52/427249252.db2.gz	ICZQLNOWRMOHSO-KGLIPLIRSA-N	0	3	305.422	2.744	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cc(C(C)(C)C)nn2C)C1	ZINC000330554871	427264914	/nfs/dbraw/zinc/26/49/14/427264914.db2.gz	VKBUSEOXIIXUEZ-CYBMUJFWSA-N	0	3	306.454	2.754	20	30		DFEDHN
CC(C)N(C)c1ccc(CNCCOc2ccc(C#N)cc2)cn1	ZINC000191208731	427287178	/nfs/dbraw/zinc/28/71/78/427287178.db2.gz	OIPHQLMOZPEQBK-UHFFFAOYSA-N	0	3	324.428	2.966	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000285573920	427274536	/nfs/dbraw/zinc/27/45/36/427274536.db2.gz	HVHMGDSDSOSFPH-NHYWBVRUSA-N	0	3	305.809	2.624	20	30		DFEDHN
N#Cc1cccc(OCCN2CCCN(c3ccccn3)CC2)c1	ZINC000183847960	427352236	/nfs/dbraw/zinc/35/22/36/427352236.db2.gz	FBSNJCFOLDXFRI-UHFFFAOYSA-N	0	3	322.412	2.544	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1C	ZINC000330785541	427303975	/nfs/dbraw/zinc/30/39/75/427303975.db2.gz	LSNVHGFOLWSOBC-GXTWGEPZSA-N	0	3	319.453	3.139	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)ccc2Cl)CCN1C	ZINC000285838928	427352507	/nfs/dbraw/zinc/35/25/07/427352507.db2.gz	WISIBOVUKBINCT-DGCLKSJQSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)ccc2Cl)CCN1C	ZINC000285838943	427352607	/nfs/dbraw/zinc/35/26/07/427352607.db2.gz	WISIBOVUKBINCT-YPMHNXCESA-N	0	3	305.809	2.766	20	30		DFEDHN
N#CCCCC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000330906140	427314419	/nfs/dbraw/zinc/31/44/19/427314419.db2.gz	VJBANCXLSFCYAQ-UHFFFAOYSA-N	0	3	309.479	2.548	20	30		DFEDHN
COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(OC)c1C	ZINC000330896229	427315582	/nfs/dbraw/zinc/31/55/82/427315582.db2.gz	GULRWMRVZHEZLW-SMDDNHRTSA-N	0	3	306.406	2.800	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2ccc(C#N)cc2)C[C@H]1OC	ZINC000191389842	427338520	/nfs/dbraw/zinc/33/85/20/427338520.db2.gz	ROGBEMLQXHBIJF-HZPDHXFCSA-N	0	3	315.417	2.680	20	30		DFEDHN
CSc1c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cnn1C	ZINC000331072391	427338723	/nfs/dbraw/zinc/33/87/23/427338723.db2.gz	FCDLJRPAWBJTNA-JHJVBQTASA-N	0	3	324.494	2.813	20	30		DFEDHN
N#Cc1ccnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1	ZINC000277892523	427351122	/nfs/dbraw/zinc/35/11/22/427351122.db2.gz	NRXNBMXWTMHUCI-KRWDZBQOSA-N	0	3	320.396	2.804	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000277723373	427298051	/nfs/dbraw/zinc/29/80/51/427298051.db2.gz	PSACNOIIUFOTDR-GOSISDBHSA-N	0	3	322.452	2.772	20	30		DFEDHN
Cc1ncc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)s1	ZINC000331314969	427395846	/nfs/dbraw/zinc/39/58/46/427395846.db2.gz	IKFCFROCSCTEAL-CYBMUJFWSA-N	0	3	310.467	2.576	20	30		DFEDHN
Cc1cnccc1CNC(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000331317382	427398685	/nfs/dbraw/zinc/39/86/85/427398685.db2.gz	JNKYFKJSIPBUOQ-OAHLLOKOSA-N	0	3	304.438	2.514	20	30		DFEDHN
CC1(C)NC(=O)CC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000338592250	427399404	/nfs/dbraw/zinc/39/94/04/427399404.db2.gz	JNTGSAOKVADPTI-CQSZACIVSA-N	0	3	324.346	2.704	20	30		DFEDHN
CC1(C)NC(=O)CC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000338592249	427400750	/nfs/dbraw/zinc/40/07/50/427400750.db2.gz	JNTGSAOKVADPTI-AWEZNQCLSA-N	0	3	324.346	2.704	20	30		DFEDHN
CO[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)(C)C	ZINC000331343721	427401727	/nfs/dbraw/zinc/40/17/27/427401727.db2.gz	ZHWVTOMYOQJCLB-ZIAGYGMSSA-N	0	3	313.486	2.672	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1	ZINC000297569974	427411850	/nfs/dbraw/zinc/41/18/50/427411850.db2.gz	SNEWFLBFVWYKKF-CVEARBPZSA-N	0	3	317.433	2.717	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1cccs1)C(C)C	ZINC000297580064	427411996	/nfs/dbraw/zinc/41/19/96/427411996.db2.gz	UDOPXTFRRUFJKL-UHFFFAOYSA-N	0	3	307.463	2.623	20	30		DFEDHN
C=CCCCCCCNC(=O)Nc1ccnn1CCN(C)C	ZINC000297573838	427412451	/nfs/dbraw/zinc/41/24/51/427412451.db2.gz	YETRVSXEJREHTL-UHFFFAOYSA-N	0	3	307.442	2.703	20	30		DFEDHN
C=CCOc1ccc(CN(CCCOC)CCOC)cc1OC	ZINC000271137353	427412570	/nfs/dbraw/zinc/41/25/70/427412570.db2.gz	UVWYXXWLQQJHEA-UHFFFAOYSA-N	0	3	323.433	2.745	20	30		DFEDHN
CC(C)N1CCN(C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000270502076	427362351	/nfs/dbraw/zinc/36/23/51/427362351.db2.gz	UTJMHKVONFIUSW-UHFFFAOYSA-N	0	3	312.461	2.553	20	30		DFEDHN
Cn1cc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cc1C#N	ZINC000191509468	427368336	/nfs/dbraw/zinc/36/83/36/427368336.db2.gz	BFWKPONEMUKSFR-HNNXBMFYSA-N	0	3	307.756	2.512	20	30		DFEDHN
N#Cc1c(NC2CCN(C3CC3)CC2)nc2cc(Cl)ccn12	ZINC000286240833	427464598	/nfs/dbraw/zinc/46/45/98/427464598.db2.gz	UREYASFABSMZHT-UHFFFAOYSA-N	0	3	315.808	2.898	20	30		DFEDHN
C=CC[C@H](CO)NCC1=Cc2cc(Br)ccc2OC1	ZINC000184266838	427426829	/nfs/dbraw/zinc/42/68/29/427426829.db2.gz	UPEYGOSWWFNINM-CQSZACIVSA-N	0	3	324.218	2.752	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000338826593	427510911	/nfs/dbraw/zinc/51/09/11/427510911.db2.gz	BGSNEAXZFMKAGZ-OAHLLOKOSA-N	0	3	303.454	2.508	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CC2CC2)CC1	ZINC000338847901	427520089	/nfs/dbraw/zinc/52/00/89/427520089.db2.gz	OPGFTNMSYHCYFW-UHFFFAOYSA-N	0	3	315.465	2.654	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCCN(C(=O)CC3CCCC3)CC2)C1	ZINC000338905295	427549782	/nfs/dbraw/zinc/54/97/82/427549782.db2.gz	QGGSSLOHGYBGLQ-IAGOWNOFSA-N	0	3	303.450	2.793	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2C)C1	ZINC000263719415	427550463	/nfs/dbraw/zinc/55/04/63/427550463.db2.gz	OIZPUJZUXDYRDZ-WBVHZDCISA-N	0	3	313.445	2.793	20	30		DFEDHN
CC(C)(CNc1nccnc1C#N)N1CCc2ccccc2C1	ZINC000263727517	427553519	/nfs/dbraw/zinc/55/35/19/427553519.db2.gz	BYSGVNIHMKKLAL-UHFFFAOYSA-N	0	3	307.401	2.597	20	30		DFEDHN
C=C(C)[C@@H](NCCN1CCOC[C@H]1C)c1ccc(F)c(F)c1	ZINC000192806415	427616041	/nfs/dbraw/zinc/61/60/41/427616041.db2.gz	AEWCVAFVNANGML-CXAGYDPISA-N	0	3	310.388	2.892	20	30		DFEDHN
CCN(C)CCNC(=O)c1ccccc1-c1ccccc1C#N	ZINC000263749333	427557827	/nfs/dbraw/zinc/55/78/27/427557827.db2.gz	XFRTUVBAKSFSOP-UHFFFAOYSA-N	0	3	307.397	2.907	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000271541974	427578032	/nfs/dbraw/zinc/57/80/32/427578032.db2.gz	QYYITOOPDWHVGL-HNNXBMFYSA-N	0	3	323.433	2.964	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@H]2CCCN2Cc2ccccc2)n1	ZINC000287366132	427590189	/nfs/dbraw/zinc/59/01/89/427590189.db2.gz	QCRMOEDZMDOWJT-KRWDZBQOSA-N	0	3	307.401	2.733	20	30		DFEDHN
Cc1nn(C)c(C)c1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000272096840	427629637	/nfs/dbraw/zinc/62/96/37/427629637.db2.gz	MUAMDFXXZNUKTI-UHFFFAOYSA-N	0	3	323.444	2.985	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(C#N)cc3)C2)C1	ZINC000294354946	427634954	/nfs/dbraw/zinc/63/49/54/427634954.db2.gz	YRQDOZNANCHYHU-IHHMQQGQSA-N	0	3	309.413	2.516	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000264095924	427656355	/nfs/dbraw/zinc/65/63/55/427656355.db2.gz	GZUXGVBFHYPIBJ-QGZVFWFLSA-N	0	3	324.380	2.861	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NC3CC4(CCC4)C3)C2=O)cc1	ZINC000333620457	427661931	/nfs/dbraw/zinc/66/19/31/427661931.db2.gz	PLROUBOEBYWKRW-QGZVFWFLSA-N	0	3	309.413	2.976	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3cc(C#N)cs3)C[C@@H]1CCCC2	ZINC000342829103	272060909	/nfs/dbraw/zinc/06/09/09/272060909.db2.gz	ZTZZNGOJOSNXTG-BBRMVZONSA-N	0	3	304.415	2.785	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCCO1	ZINC000272218897	427676829	/nfs/dbraw/zinc/67/68/29/427676829.db2.gz	BPCHAMMIEYFEPC-GOSISDBHSA-N	0	3	324.428	2.960	20	30		DFEDHN
N#Cc1cccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1	ZINC000344352747	272319095	/nfs/dbraw/zinc/31/90/95/272319095.db2.gz	YUIMHCIBANJGBL-IRXDYDNUSA-N	0	3	316.351	2.885	20	30		DFEDHN
CCOC(=O)c1csc(CCN[C@H]2CCC[C@H](C#N)C2)n1	ZINC000193338779	427684836	/nfs/dbraw/zinc/68/48/36/427684836.db2.gz	WLCNDMKKGWIUOA-RYUDHWBXSA-N	0	3	307.419	2.534	20	30		DFEDHN
N#Cc1ccnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c1	ZINC000287784702	427691628	/nfs/dbraw/zinc/69/16/28/427691628.db2.gz	OLXVELSYYQNGFR-SFHVURJKSA-N	0	3	322.412	2.656	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(C#N)ccn1	ZINC000287786189	427692411	/nfs/dbraw/zinc/69/24/11/427692411.db2.gz	RJBCHCYGXHGGJR-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
Cc1ccccc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279725494	427717287	/nfs/dbraw/zinc/71/72/87/427717287.db2.gz	NAPLRKWNPHELBU-LJQANCHMSA-N	0	3	317.392	2.908	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN1C	ZINC000299229436	427762585	/nfs/dbraw/zinc/76/25/85/427762585.db2.gz	CNXWPQMOGWNFGC-AWEZNQCLSA-N	0	3	316.405	2.561	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCCN(CC3CCC3)CC2)c1	ZINC000339202214	427729478	/nfs/dbraw/zinc/72/94/78/427729478.db2.gz	IAUVTWKHQOXXLE-UHFFFAOYSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCC[C@H]1CN1CCCCC1)OCC	ZINC000339201381	427729554	/nfs/dbraw/zinc/72/95/54/427729554.db2.gz	RPTIBHFZDLBFMV-DLBZAZTESA-N	0	3	308.466	2.835	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194413007	427741094	/nfs/dbraw/zinc/74/10/94/427741094.db2.gz	KXEIONKEQGBDEY-KRWDZBQOSA-N	0	3	301.434	2.726	20	30		DFEDHN
CCN1CCC[C@H](Nc2ncc(Br)cc2C#N)C1	ZINC000336785818	427752473	/nfs/dbraw/zinc/75/24/73/427752473.db2.gz	ANUGBGZNACRPBU-LBPRGKRZSA-N	0	3	309.211	2.612	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2CCC[C@H]2F)c(-c2ccncc2)n1	ZINC000339587255	427796323	/nfs/dbraw/zinc/79/63/23/427796323.db2.gz	ONXFUDDEPBEVLR-HZPDHXFCSA-N	0	3	313.380	2.839	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2CCCc3cc(OC)ccc32)C1=O	ZINC000337140197	427805126	/nfs/dbraw/zinc/80/51/26/427805126.db2.gz	QUENXWXMRGPTCR-MSOLQXFVSA-N	0	3	314.429	2.791	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NCc1ccc(CN(C)C)cc1)OCC	ZINC000339659029	427807754	/nfs/dbraw/zinc/80/77/54/427807754.db2.gz	WMCWYGSORZHZJF-KRWDZBQOSA-N	0	3	304.434	2.736	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C#N)n1	ZINC000302719713	427857836	/nfs/dbraw/zinc/85/78/36/427857836.db2.gz	KTYPZRUQLOZOBE-GFCCVEGCSA-N	0	3	303.366	2.538	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@H](C(C)C)C1(CO)CCC1	ZINC000339729180	427818253	/nfs/dbraw/zinc/81/82/53/427818253.db2.gz	SNAPRAOJOBHGLS-QGZVFWFLSA-N	0	3	302.418	2.844	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CCCc2ccccc2Cl)C1=O	ZINC000337238984	427821077	/nfs/dbraw/zinc/82/10/77/427821077.db2.gz	ZPWRAAQYXRLFHB-INIZCTEOSA-N	0	3	306.837	2.991	20	30		DFEDHN
COc1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)ccc1C#N	ZINC000337262035	427827240	/nfs/dbraw/zinc/82/72/40/427827240.db2.gz	QTUQAZGAVYLQBN-PKOBYXMFSA-N	0	3	323.396	2.972	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)nc2)C1	ZINC000359452090	427858464	/nfs/dbraw/zinc/85/84/64/427858464.db2.gz	HGCGCQCPZBVALG-RDTXWAMCSA-N	0	3	320.396	2.519	20	30		DFEDHN
COc1ccc([C@H](CNc2ccc(C#N)nn2)N2CCCC2)cc1	ZINC000301943344	427843721	/nfs/dbraw/zinc/84/37/21/427843721.db2.gz	WBWCFVDAAMQMRH-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
COc1cccc([C@@H](CNc2ccc(C#N)nn2)N2CCCC2)c1	ZINC000301933556	427844404	/nfs/dbraw/zinc/84/44/04/427844404.db2.gz	PSYBCIZPQFGOGT-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC(C)(C)C1	ZINC000349707653	427847108	/nfs/dbraw/zinc/84/71/08/427847108.db2.gz	OXYJMJNGHMJAOI-UHFFFAOYSA-N	0	3	313.445	2.885	20	30		DFEDHN
Cc1nn(C)c(N2CCN(CCC3CCCCC3)CC2)c1C#N	ZINC000349886531	427889775	/nfs/dbraw/zinc/88/97/75/427889775.db2.gz	XBESEZGJXRCSPC-UHFFFAOYSA-N	0	3	315.465	2.693	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2oc(C(C)C)nc2C)CC1	ZINC000339998644	427899300	/nfs/dbraw/zinc/89/93/00/427899300.db2.gz	HXWQPLDSDAMJPP-UHFFFAOYSA-N	0	3	305.422	2.877	20	30		DFEDHN
N#Cc1ccc(OCCN[C@@H](CO)c2ccc(Cl)cc2)cc1	ZINC000359546003	427901982	/nfs/dbraw/zinc/90/19/82/427901982.db2.gz	YVMZHMAQZSOGGN-KRWDZBQOSA-N	0	3	316.788	2.914	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000359589596	427924500	/nfs/dbraw/zinc/92/45/00/427924500.db2.gz	NCWGGBCXGDOIPA-UHFFFAOYSA-N	0	3	322.412	2.935	20	30		DFEDHN
Cc1cc(-c2noc([C@H](C)NC(=O)C(C)C#N)n2)ccc1F	ZINC000350631612	427959605	/nfs/dbraw/zinc/95/96/05/427959605.db2.gz	JPKOWDSRNQUUHR-UWVGGRQHSA-N	0	3	302.309	2.521	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000350728310	427967077	/nfs/dbraw/zinc/96/70/77/427967077.db2.gz	BJCBPGHRJYFBDD-LSDHHAIUSA-N	0	3	319.497	2.972	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1cc(C#N)c[nH]1	ZINC000345984337	427975181	/nfs/dbraw/zinc/97/51/81/427975181.db2.gz	FNNMDHQOTMAXHD-UHFFFAOYSA-N	0	3	302.422	2.613	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000341115092	427993979	/nfs/dbraw/zinc/99/39/79/427993979.db2.gz	DBQKCZVUWQKAAU-HOCLYGCPSA-N	0	3	317.433	2.533	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1	ZINC000359616756	427938586	/nfs/dbraw/zinc/93/85/86/427938586.db2.gz	JWKAUVZDLJWMAQ-GXFFZTMASA-N	0	3	312.291	2.765	20	30		DFEDHN
CC(C)(C#N)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000350514552	427941535	/nfs/dbraw/zinc/94/15/35/427941535.db2.gz	DNSBPQGHDURKQM-INIZCTEOSA-N	0	3	314.433	2.672	20	30		DFEDHN
CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)o2)C1	ZINC000340163778	427942088	/nfs/dbraw/zinc/94/20/88/427942088.db2.gz	TYYRJIDKDQLGML-ZDUSSCGKSA-N	0	3	303.406	2.782	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccnc(C#N)c1	ZINC000345912118	427946788	/nfs/dbraw/zinc/94/67/88/427946788.db2.gz	QUQAKIIRKLAGDA-UHFFFAOYSA-N	0	3	314.433	2.680	20	30		DFEDHN
COc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1C#N	ZINC000340197165	427953282	/nfs/dbraw/zinc/95/32/82/427953282.db2.gz	QIWKWTHKQNQJTL-SFHVURJKSA-N	0	3	300.402	2.959	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376951220	428030302	/nfs/dbraw/zinc/03/03/02/428030302.db2.gz	USSNZQNLTUJYTJ-ROUUACIJSA-N	0	3	323.440	2.675	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000359822752	428033535	/nfs/dbraw/zinc/03/35/35/428033535.db2.gz	RBMXSKVCMPRFDN-INIZCTEOSA-N	0	3	315.392	2.846	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000369709843	428041105	/nfs/dbraw/zinc/04/11/05/428041105.db2.gz	UFRUDPQAHVCKOM-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
COCCOC[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356183189	428057923	/nfs/dbraw/zinc/05/79/23/428057923.db2.gz	NJBXINBPHBPDJH-LLVKDONJSA-N	0	3	316.323	2.718	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369571124	428005079	/nfs/dbraw/zinc/00/50/79/428005079.db2.gz	VHVZEUWTEINIIX-YCPHGPKFSA-N	0	3	322.474	2.838	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000341190863	428009425	/nfs/dbraw/zinc/00/94/25/428009425.db2.gz	FLWKYBZXSUAQTQ-KGLIPLIRSA-N	0	3	307.463	2.928	20	30		DFEDHN
CC[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000341213718	428015461	/nfs/dbraw/zinc/01/54/61/428015461.db2.gz	RMFFLYNTXFXDSX-SFHVURJKSA-N	0	3	307.397	2.915	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C(C)(C)C)CC1	ZINC000341443914	428068708	/nfs/dbraw/zinc/06/87/08/428068708.db2.gz	ZCCSHRLWQGLSLB-KBPBESRZSA-N	0	3	309.454	2.535	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369821118	428069196	/nfs/dbraw/zinc/06/91/96/428069196.db2.gz	DYZMLFWSDVFFEF-IAOVAPTHSA-N	0	3	301.434	2.868	20	30		DFEDHN
Cc1ccc(F)c(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1	ZINC000359916624	428075285	/nfs/dbraw/zinc/07/52/85/428075285.db2.gz	IKBBXVXYAWWNDE-NSHDSACASA-N	0	3	314.276	2.683	20	30		DFEDHN
CCn1ccnc1CN1CCCN(CCCC(C)(C)C#N)CC1	ZINC000370002492	428105941	/nfs/dbraw/zinc/10/59/41/428105941.db2.gz	PQSLTGFJELOYLN-UHFFFAOYSA-N	0	3	317.481	2.741	20	30		DFEDHN
C[C@H](C(=O)NCCN(C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000360030995	428125768	/nfs/dbraw/zinc/12/57/68/428125768.db2.gz	BRVRVHOKUCWULE-INIZCTEOSA-N	0	3	321.424	2.910	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C	ZINC000341421046	428065626	/nfs/dbraw/zinc/06/56/26/428065626.db2.gz	TXNYIAVRWFWIRZ-LSDHHAIUSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@]2(CCCCO2)C1	ZINC000370091352	428131540	/nfs/dbraw/zinc/13/15/40/428131540.db2.gz	BLBBFPUWHQANFW-FUHWJXTLSA-N	0	3	306.450	2.611	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C)CC[C@@H]1C	ZINC000413830761	428142461	/nfs/dbraw/zinc/14/24/61/428142461.db2.gz	YDKNDXZTSZIRBM-WMZOPIPTSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC1	ZINC000413824582	428143650	/nfs/dbraw/zinc/14/36/50/428143650.db2.gz	DBGGLWLOYLNFIM-QGZVFWFLSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN2CCC[C@H]2C1	ZINC000413828372	428143713	/nfs/dbraw/zinc/14/37/13/428143713.db2.gz	UTNLVOYHDXELGT-MSOLQXFVSA-N	0	3	313.445	2.663	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1ccccc1	ZINC000370259753	428170558	/nfs/dbraw/zinc/17/05/58/428170558.db2.gz	DPEQLYLPKHFQSH-IAGOWNOFSA-N	0	3	311.429	2.880	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)CC(F)F)c(C(F)(F)F)c1	ZINC000356425152	428172727	/nfs/dbraw/zinc/17/27/27/428172727.db2.gz	MWEYKJRWXVRDAV-SNVBAGLBSA-N	0	3	308.250	2.683	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)C(C)C	ZINC000413970496	428175957	/nfs/dbraw/zinc/17/59/57/428175957.db2.gz	GLQITCIGQPCBHD-IKGGRYGDSA-N	0	3	302.418	2.671	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](C)c2ncc(C(=O)OC)s2)CC1	ZINC000414129219	428214968	/nfs/dbraw/zinc/21/49/68/428214968.db2.gz	UWDBZTOHXAWCOS-GFCCVEGCSA-N	0	3	323.462	2.621	20	30		DFEDHN
CN(CCC(C)(C)C#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000370486318	428222806	/nfs/dbraw/zinc/22/28/06/428222806.db2.gz	XEJUWTPAEQUNEN-KBPBESRZSA-N	0	3	324.469	2.927	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C	ZINC000346570332	428223021	/nfs/dbraw/zinc/22/30/21/428223021.db2.gz	JNUSKULRSMKGMD-QWRGUYRKSA-N	0	3	309.772	2.676	20	30		DFEDHN
CC(=O)NCCc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1	ZINC000414164941	428223156	/nfs/dbraw/zinc/22/31/56/428223156.db2.gz	KYEMODCUYRYONT-CQSZACIVSA-N	0	3	301.434	2.956	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000277411955	273477498	/nfs/dbraw/zinc/47/74/98/273477498.db2.gz	LSQOTZIAIZUPDS-LJQANCHMSA-N	0	3	308.425	2.603	20	30		DFEDHN
CN(Cc1noc(C2CC2)n1)C(=O)C(C#N)CCc1ccccc1	ZINC000414036552	428188525	/nfs/dbraw/zinc/18/85/25/428188525.db2.gz	ICZBAMSPJNYPAN-HNNXBMFYSA-N	0	3	324.384	2.678	20	30		DFEDHN
C[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)c1cccc(C#N)c1	ZINC000360185549	428195716	/nfs/dbraw/zinc/19/57/16/428195716.db2.gz	ZTBXSOIFKKHGLA-MAUKXSAKSA-N	0	3	311.429	2.749	20	30		DFEDHN
CCc1ccc([C@H](CNCc2nc(C#N)cs2)N(C)C)cc1	ZINC000352825014	428266153	/nfs/dbraw/zinc/26/61/53/428266153.db2.gz	SHXIKBNPDWJFPO-INIZCTEOSA-N	0	3	314.458	2.970	20	30		DFEDHN
CN(C)CCOc1cccc(NCc2nc(C#N)cs2)c1	ZINC000352838963	428274856	/nfs/dbraw/zinc/27/48/56/428274856.db2.gz	RIPCVZKILFAEED-UHFFFAOYSA-N	0	3	302.403	2.567	20	30		DFEDHN
Cc1ccnc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1C#N	ZINC000370709472	428281055	/nfs/dbraw/zinc/28/10/55/428281055.db2.gz	RKRLYJBBYKDRGO-WMZOPIPTSA-N	0	3	321.428	2.786	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCCC[C@@H]1CCO	ZINC000356727432	428285586	/nfs/dbraw/zinc/28/55/86/428285586.db2.gz	CRMHBZZNXVBKLP-QZTJIDSGSA-N	0	3	314.429	2.913	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(C#N)cc3F)C[C@@H]1CCCC2	ZINC000342181915	428337850	/nfs/dbraw/zinc/33/78/50/428337850.db2.gz	WCSACTIRXDABBL-YJBOKZPZSA-N	0	3	316.376	2.863	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(C(=O)c2ccoc2)CC1	ZINC000371412615	428388007	/nfs/dbraw/zinc/38/80/07/428388007.db2.gz	HQHLENIKXCSWFU-UHFFFAOYSA-N	0	3	303.406	2.757	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371590426	428398254	/nfs/dbraw/zinc/39/82/54/428398254.db2.gz	NHTRGTBCGGKROV-FUHWJXTLSA-N	0	3	316.445	2.558	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000356911010	428359775	/nfs/dbraw/zinc/35/97/75/428359775.db2.gz	YZDFQQFHXSXXSG-ONGXEEELSA-N	0	3	312.200	2.848	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCC(=O)N(C)CCC#N	ZINC000357005808	428368044	/nfs/dbraw/zinc/36/80/44/428368044.db2.gz	CGKFSJIZAHAZOA-ZIAGYGMSSA-N	0	3	317.408	2.895	20	30		DFEDHN
N#Cc1ncn(CCNCc2cccc(-c3ccccc3)c2)n1	ZINC000353051378	428370252	/nfs/dbraw/zinc/37/02/52/428370252.db2.gz	XSQAINHAZOKQGK-UHFFFAOYSA-N	0	3	303.369	2.607	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000347106515	428448033	/nfs/dbraw/zinc/44/80/33/428448033.db2.gz	LUSHDAKWTIVECC-STQMWFEESA-N	0	3	322.368	2.671	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000347111609	428450927	/nfs/dbraw/zinc/45/09/27/428450927.db2.gz	YQSRFEFJTCIGHQ-IBGZPJMESA-N	0	3	307.397	2.939	20	30		DFEDHN
C=CCN(C(=O)NCC1CC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372487571	428453130	/nfs/dbraw/zinc/45/31/30/428453130.db2.gz	QSQWABMZUMFWQB-SFHVURJKSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=CCOCCNC[C@@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000380412452	428454943	/nfs/dbraw/zinc/45/49/43/428454943.db2.gz	HQOIOYZZJIVLAG-LLVKDONJSA-N	0	3	320.216	2.525	20	30		DFEDHN
CCCCOCCOCCN[C@H]1CCc2ccc(C#N)cc21	ZINC000353258369	428456303	/nfs/dbraw/zinc/45/63/03/428456303.db2.gz	RGUQHZFZMDENNL-SFHVURJKSA-N	0	3	302.418	2.968	20	30		DFEDHN
CSCC[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1	ZINC000347131241	428460575	/nfs/dbraw/zinc/46/05/75/428460575.db2.gz	ITGDYGQHFDNLOV-GWCFXTLKSA-N	0	3	302.403	2.633	20	30		DFEDHN
CSCC[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1	ZINC000347131251	428460582	/nfs/dbraw/zinc/46/05/82/428460582.db2.gz	ITGDYGQHFDNLOV-MFKMUULPSA-N	0	3	302.403	2.633	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1	ZINC000389936171	428468610	/nfs/dbraw/zinc/46/86/10/428468610.db2.gz	NBJYVCJVWUMTCX-QZDWLRDRSA-N	0	3	311.429	2.563	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCOc2ccc(Br)cc21	ZINC000347033404	428414764	/nfs/dbraw/zinc/41/47/64/428414764.db2.gz	HDOKXSAWWAGOIO-LDYMZIIASA-N	0	3	309.163	2.549	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCOc2ccc(Br)cc21	ZINC000347033402	428414800	/nfs/dbraw/zinc/41/48/00/428414800.db2.gz	HDOKXSAWWAGOIO-KCJUWKMLSA-N	0	3	309.163	2.549	20	30		DFEDHN
COc1cc(CNC(=O)C(C)C#N)ccc1OC1CCCC1	ZINC000347043449	428420599	/nfs/dbraw/zinc/42/05/99/428420599.db2.gz	WIRMBLVPBVWSSL-GFCCVEGCSA-N	0	3	302.374	2.792	20	30		DFEDHN
CCOc1cc2c(cc1OCC)CN(C(=O)C(C)C#N)CC2	ZINC000347045149	428422994	/nfs/dbraw/zinc/42/29/94/428422994.db2.gz	ZIQPGRHMFOHLJW-LBPRGKRZSA-N	0	3	302.374	2.528	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCN1CCC	ZINC000342400244	428424042	/nfs/dbraw/zinc/42/40/42/428424042.db2.gz	VAHKOHIBMGSEOY-KRWDZBQOSA-N	0	3	320.433	2.551	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(c2ccc(N(C)C)cc2)CC1	ZINC000372273450	428427380	/nfs/dbraw/zinc/42/73/80/428427380.db2.gz	MHLRXKDZDXWEOE-OAHLLOKOSA-N	0	3	315.461	2.623	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(SCC#N)c1	ZINC000342463604	428429138	/nfs/dbraw/zinc/42/91/38/428429138.db2.gz	CRCNXQHUBQZZQX-LRDDRELGSA-N	0	3	315.442	2.515	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21	ZINC000342972472	428496912	/nfs/dbraw/zinc/49/69/12/428496912.db2.gz	QPGLGVBNOBFBBG-IAGOWNOFSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OCC)C1(CC)CC	ZINC000360947532	428503547	/nfs/dbraw/zinc/50/35/47/428503547.db2.gz	NUZSEUQUJGBIEV-HOTGVXAUSA-N	0	3	310.482	2.984	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C[C@H]21	ZINC000372980263	428509661	/nfs/dbraw/zinc/50/96/61/428509661.db2.gz	NJTAJKCAPNZPAU-WMLDXEAASA-N	0	3	311.429	2.654	20	30		DFEDHN
CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCCCC(C)(C)C#N	ZINC000373105541	428519177	/nfs/dbraw/zinc/51/91/77/428519177.db2.gz	AKWUOVTYJLSGFD-GJZGRUSLSA-N	0	3	310.438	2.749	20	30		DFEDHN
COCCn1ncc2c1[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCC2	ZINC000373204429	428524933	/nfs/dbraw/zinc/52/49/33/428524933.db2.gz	IAAVHTILKDGXEK-NUEKZKHPSA-N	0	3	302.422	2.579	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000361023055	428528695	/nfs/dbraw/zinc/52/86/95/428528695.db2.gz	KRZUNOAGNXPQQP-QWRGUYRKSA-N	0	3	311.307	2.560	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)OCC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372598300	428472034	/nfs/dbraw/zinc/47/20/34/428472034.db2.gz	DUQHEOWTMBEPAR-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000391055539	428478616	/nfs/dbraw/zinc/47/86/16/428478616.db2.gz	JCFBCJAUPRYZDZ-GBESFXJTSA-N	0	3	313.445	2.559	20	30		DFEDHN
CC(C)n1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000361673645	428589206	/nfs/dbraw/zinc/58/92/06/428589206.db2.gz	YLZRJHVOCZVHQT-GFCCVEGCSA-N	0	3	307.357	2.841	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccnc1)Cc1cccc(C#N)c1	ZINC000361711998	428590019	/nfs/dbraw/zinc/59/00/19/428590019.db2.gz	NNIFINNWFHWZLD-UHFFFAOYSA-N	0	3	320.396	2.970	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000361081398	428536529	/nfs/dbraw/zinc/53/65/29/428536529.db2.gz	YZGIKVQLHIZFSP-UHFFFAOYSA-N	0	3	316.445	2.946	20	30		DFEDHN
Cn1nccc1[C@H]1OCC[C@@H]1CN(CCC#N)CC(C)(C)C	ZINC000343232461	428537590	/nfs/dbraw/zinc/53/75/90/428537590.db2.gz	MXWUZBMHVJCUAI-ZBFHGGJFSA-N	0	3	304.438	2.759	20	30		DFEDHN
Cn1nccc1[C@@H]1OCC[C@@H]1CN(CCC#N)CC(C)(C)C	ZINC000343232233	428537685	/nfs/dbraw/zinc/53/76/85/428537685.db2.gz	MXWUZBMHVJCUAI-GDBMZVCRSA-N	0	3	304.438	2.759	20	30		DFEDHN
C[C@@H](Cc1ccccc1)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000347303674	428538278	/nfs/dbraw/zinc/53/82/78/428538278.db2.gz	HKZYNUXTASEZCP-KRWDZBQOSA-N	0	3	320.440	2.954	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc3ccccc3c2C)CC1	ZINC000361156056	428539556	/nfs/dbraw/zinc/53/95/56/428539556.db2.gz	QOFXFFXSTBYXCG-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
N#Cc1ccccc1Cn1cccc1CN1CC[C@](O)(C2CC2)C1	ZINC000373325362	428549856	/nfs/dbraw/zinc/54/98/56/428549856.db2.gz	SUJDLPBSYOCWNE-HXUWFJFHSA-N	0	3	321.424	2.755	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1OC	ZINC000373328510	428550000	/nfs/dbraw/zinc/55/00/00/428550000.db2.gz	ONJGGPWQPZXIOV-LJQANCHMSA-N	0	3	317.429	2.997	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C	ZINC000343590791	428564011	/nfs/dbraw/zinc/56/40/11/428564011.db2.gz	MLYFSBLGVPSGMP-HNNXBMFYSA-N	0	3	308.447	2.746	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(C#N)cn1C)N(C)C	ZINC000357873775	428569795	/nfs/dbraw/zinc/56/97/95/428569795.db2.gz	QNBTZZWXCQTRET-KDOFPFPSSA-N	0	3	324.428	2.626	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000361905175	428603680	/nfs/dbraw/zinc/60/36/80/428603680.db2.gz	CQJJCZRPCBBKNT-KRWDZBQOSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnnc1C)C(C)C	ZINC000362039870	428614361	/nfs/dbraw/zinc/61/43/61/428614361.db2.gz	UBTIJBKHLWCSJT-INIZCTEOSA-N	0	3	317.437	2.605	20	30		DFEDHN
C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000347587064	428615226	/nfs/dbraw/zinc/61/52/26/428615226.db2.gz	VVCZPDSOENXJMB-CVEARBPZSA-N	0	3	318.465	2.789	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1	ZINC000362088204	428616334	/nfs/dbraw/zinc/61/63/34/428616334.db2.gz	VCMIFZFWWHRVFN-QGZVFWFLSA-N	0	3	309.413	2.812	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1	ZINC000344101275	428623965	/nfs/dbraw/zinc/62/39/65/428623965.db2.gz	CVKZQBICBFLRQU-QGZVFWFLSA-N	0	3	302.418	2.964	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C	ZINC000347828859	428627667	/nfs/dbraw/zinc/62/76/67/428627667.db2.gz	QDMCZVMLTXTVRD-GWCFXTLKSA-N	0	3	313.323	2.584	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1	ZINC000347966859	428631519	/nfs/dbraw/zinc/63/15/19/428631519.db2.gz	WBFIXQCMLINYPV-INIZCTEOSA-N	0	3	302.418	2.854	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347953358	428632874	/nfs/dbraw/zinc/63/28/74/428632874.db2.gz	IOMRIAKETXOTDZ-GOSISDBHSA-N	0	3	303.365	2.899	20	30		DFEDHN
C=CCOCCCN1CCc2cc(OC)c(OC)cc2CC1	ZINC000347971607	428632992	/nfs/dbraw/zinc/63/29/92/428632992.db2.gz	OFTSQRLFYXPAJC-UHFFFAOYSA-N	0	3	305.418	2.697	20	30		DFEDHN
C=CCOCCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000347970052	428633382	/nfs/dbraw/zinc/63/33/82/428633382.db2.gz	VLSNYBRCSROQAQ-MRXNPFEDSA-N	0	3	318.465	2.777	20	30		DFEDHN
C=CCOCCCN1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000348024376	428636935	/nfs/dbraw/zinc/63/69/35/428636935.db2.gz	BLYACKSNSVYXLW-SFHVURJKSA-N	0	3	316.445	2.864	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2F)CC1	ZINC000348153228	428641428	/nfs/dbraw/zinc/64/14/28/428641428.db2.gz	WNWNVGZCUMIBDL-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000348149642	428642106	/nfs/dbraw/zinc/64/21/06/428642106.db2.gz	XAPLNDQOMWCIOH-HNNXBMFYSA-N	0	3	309.394	2.927	20	30		DFEDHN
C=CCOCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1	ZINC000348052840	428636309	/nfs/dbraw/zinc/63/63/09/428636309.db2.gz	UTLFJTURXVBYHA-KRWDZBQOSA-N	0	3	303.381	2.831	20	30		DFEDHN
C=CCCN1CC[C@@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1	ZINC000373767894	428647007	/nfs/dbraw/zinc/64/70/07/428647007.db2.gz	BZDOHCNGBGCEQR-OAHLLOKOSA-N	0	3	305.422	2.797	20	30		DFEDHN
Cc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348205113	428655221	/nfs/dbraw/zinc/65/52/21/428655221.db2.gz	IRURBZNFFZZNJS-NHYWBVRUSA-N	0	3	324.409	2.883	20	30		DFEDHN
C[C@]1(CNC(=O)NCCCC#N)CCN(Cc2ccccc2)C1	ZINC000373959643	428656358	/nfs/dbraw/zinc/65/63/58/428656358.db2.gz	UKLLCTVUXRCNLZ-GOSISDBHSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)C1=O	ZINC000374062711	428661618	/nfs/dbraw/zinc/66/16/18/428661618.db2.gz	SEMZJAJNUFAVHY-LESCRADOSA-N	0	3	314.429	2.660	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H]2CC[C@@H](CO)O2)cc1Cl	ZINC000353702074	428663467	/nfs/dbraw/zinc/66/34/67/428663467.db2.gz	HXBFLVVSRSIKRZ-KBPBESRZSA-N	0	3	311.809	2.534	20	30		DFEDHN
COC(=O)[C@]1(C)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C	ZINC000374379141	428676172	/nfs/dbraw/zinc/67/61/72/428676172.db2.gz	VBRBXMSEZNBNGG-QWQRMKEZSA-N	0	3	316.401	2.608	20	30		DFEDHN
C[C@@H]1[C@H](N[C@@H]2CCC[C@H](C#N)C2)CC(=O)N1Cc1ccccc1	ZINC000374230351	428670149	/nfs/dbraw/zinc/67/01/49/428670149.db2.gz	MQJNDZYMLGUQCP-BZZMCLGOSA-N	0	3	311.429	2.848	20	30		DFEDHN
C[C@@H]1CN(c2nc3c(cc2C#N)CCC3)CCN(C2CCC2)C1	ZINC000292201406	274368006	/nfs/dbraw/zinc/36/80/06/274368006.db2.gz	GSRKOOGWAWNWGZ-AWEZNQCLSA-N	0	3	310.445	2.753	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@](C)(OC)C1	ZINC000348239806	428674181	/nfs/dbraw/zinc/67/41/81/428674181.db2.gz	PLMYVCBGIKJEQU-HKUYNNGSSA-N	0	3	319.445	2.656	20	30		DFEDHN
CC(C)n1cc([C@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2CO)cn1	ZINC000344867602	428715848	/nfs/dbraw/zinc/71/58/48/428715848.db2.gz	SXHYSADZOBYDMV-RTBURBONSA-N	0	3	324.428	2.544	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@H](O)c3ccccc3C2)cc1	ZINC000374821224	428757992	/nfs/dbraw/zinc/75/79/92/428757992.db2.gz	RMFKBGASMIEGIA-LJQANCHMSA-N	0	3	308.381	2.876	20	30		DFEDHN
CCOCCN1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C	ZINC000411241771	428765216	/nfs/dbraw/zinc/76/52/16/428765216.db2.gz	QMNODAAOSQCXKI-KRWDZBQOSA-N	0	3	307.482	2.893	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnccc2C#N)C1	ZINC000345176832	428784499	/nfs/dbraw/zinc/78/44/99/428784499.db2.gz	WFLSQPTXNRLUOS-PBHICJAKSA-N	0	3	320.396	2.519	20	30		DFEDHN
CC[C@@](C)(NCc1ccc(-c2ccccc2C#N)cc1)C(N)=O	ZINC000411393336	428788563	/nfs/dbraw/zinc/78/85/63/428788563.db2.gz	RJQYUPCAOYMAJF-LJQANCHMSA-N	0	3	307.397	2.969	20	30		DFEDHN
C[C@H](N[C@@H](C)c1ccc2ncsc2c1)C(=O)N(C)CCC#N	ZINC000362560141	428789879	/nfs/dbraw/zinc/78/98/79/428789879.db2.gz	MPEPECZVHIEDHC-RYUDHWBXSA-N	0	3	316.430	2.707	20	30		DFEDHN
C[C@@H]1CN(CCCSCC#N)CCN1Cc1ccccc1	ZINC000411117558	428743159	/nfs/dbraw/zinc/74/31/59/428743159.db2.gz	HZUXSYBFJZDBGX-MRXNPFEDSA-N	0	3	303.475	2.840	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CCCN(CC)CC1	ZINC000358950284	428744045	/nfs/dbraw/zinc/74/40/45/428744045.db2.gz	IAXGUDFGNOZCOU-UHFFFAOYSA-N	0	3	305.470	2.729	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000358963157	428751868	/nfs/dbraw/zinc/75/18/68/428751868.db2.gz	ZJWNTUSUCSLBEP-MRXNPFEDSA-N	0	3	317.481	2.870	20	30		DFEDHN
C[C@H](c1cccnc1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000411421481	428795111	/nfs/dbraw/zinc/79/51/11/428795111.db2.gz	MRQBWCYAMPHKAB-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000359098022	428814264	/nfs/dbraw/zinc/81/42/64/428814264.db2.gz	BVWARZULXIQXOD-OAHLLOKOSA-N	0	3	303.454	2.651	20	30		DFEDHN
Cc1cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)ccc1C#N	ZINC000362935581	428814540	/nfs/dbraw/zinc/81/45/40/428814540.db2.gz	QKDCBCTVQLGFRH-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCC1(C#N)CCCCC1	ZINC000411562636	428817031	/nfs/dbraw/zinc/81/70/31/428817031.db2.gz	SSTOHWOWDVKOET-HOTGVXAUSA-N	0	3	322.449	2.893	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)cc1F	ZINC000411636861	428828835	/nfs/dbraw/zinc/82/88/35/428828835.db2.gz	DUPIIBBYNQTHRY-UHFFFAOYSA-N	0	3	308.397	2.552	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)cc1F	ZINC000411646161	428830586	/nfs/dbraw/zinc/83/05/86/428830586.db2.gz	VBIIGNMAWCELPO-UHFFFAOYSA-N	0	3	307.413	2.512	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCCC[C@@H]3n3cccn3)n2c1	ZINC000375324590	428857465	/nfs/dbraw/zinc/85/74/65/428857465.db2.gz	ULMDAEXIBYDWLN-IRXDYDNUSA-N	0	3	320.400	2.676	20	30		DFEDHN
Cc1n[nH]cc1C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000375382365	428870730	/nfs/dbraw/zinc/87/07/30/428870730.db2.gz	WEGQCMRNIQQKQX-GOSISDBHSA-N	0	3	310.401	2.503	20	30		DFEDHN
C=CCC[C@@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1	ZINC000417907179	428873165	/nfs/dbraw/zinc/87/31/65/428873165.db2.gz	DOQIWAQUKVVLNM-CABCVRRESA-N	0	3	323.387	2.990	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375431904	428884170	/nfs/dbraw/zinc/88/41/70/428884170.db2.gz	UMZRGYNMMJKJAN-OAHLLOKOSA-N	0	3	324.384	2.687	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000375444895	428886583	/nfs/dbraw/zinc/88/65/83/428886583.db2.gz	NOOAIHKCFVLJAE-OAHLLOKOSA-N	0	3	324.384	2.687	20	30		DFEDHN
CN(CC#Cc1ccc(Cl)cc1)C(C)(C)CN1CCOCC1	ZINC000412083899	428945516	/nfs/dbraw/zinc/94/55/16/428945516.db2.gz	BURVUFVHUKCYAD-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](CC)O[C@H](CC)C2)CC1	ZINC000420795601	428963149	/nfs/dbraw/zinc/96/31/49/428963149.db2.gz	SWLNCZHJYYLSOT-IAGOWNOFSA-N	0	3	323.481	2.626	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCCC[C@@H]1Cn1cccn1	ZINC000375784443	428970752	/nfs/dbraw/zinc/97/07/52/428970752.db2.gz	BNELLJVRFKISQX-QGZVFWFLSA-N	0	3	310.401	2.688	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412339537	429018552	/nfs/dbraw/zinc/01/85/52/429018552.db2.gz	PSJKANBITNXMJW-DQEVTTJGSA-N	0	3	323.440	2.747	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CCSC2)C1	ZINC000451969783	429030312	/nfs/dbraw/zinc/03/03/12/429030312.db2.gz	XBPZOXRFXBTQTI-DOTOQJQBSA-N	0	3	308.491	2.795	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1OCCCC#N	ZINC000349407594	428980602	/nfs/dbraw/zinc/98/06/02/428980602.db2.gz	OODXXMMMMGDEPE-GOEBONIOSA-N	0	3	318.417	2.580	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@@H](O)C2)cc1OCCCC#N	ZINC000349407595	428983733	/nfs/dbraw/zinc/98/37/33/428983733.db2.gz	OODXXMMMMGDEPE-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000354433215	428984383	/nfs/dbraw/zinc/98/43/83/428984383.db2.gz	NVFGIZOACATFDN-DNVCBOLYSA-N	0	3	316.445	2.655	20	30		DFEDHN
N#CC(C(=O)c1ccc(Br)cc1)c1ccncn1	ZINC000354467228	428987053	/nfs/dbraw/zinc/98/70/53/428987053.db2.gz	KXOIEEOFIINGFI-NSHDSACASA-N	0	3	302.131	2.729	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354467154	428987149	/nfs/dbraw/zinc/98/71/49/428987149.db2.gz	NVUKOJTUVKFXOU-AWEZNQCLSA-N	0	3	308.341	2.561	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)Cc1ccc(C#N)c(F)c1	ZINC000421354789	428990197	/nfs/dbraw/zinc/99/01/97/428990197.db2.gz	HUNWOQMZKVUPFV-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000354554654	428996232	/nfs/dbraw/zinc/99/62/32/428996232.db2.gz	ZLAUKHDCJWSAGT-GWCFXTLKSA-N	0	3	312.291	2.765	20	30		DFEDHN
C[C@H]1COCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000433142844	429001881	/nfs/dbraw/zinc/00/18/81/429001881.db2.gz	FUXWBUAFJRWRGW-IINYFYTJSA-N	0	3	309.207	2.835	20	30		DFEDHN
C=CCOCC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000354733258	429006752	/nfs/dbraw/zinc/00/67/52/429006752.db2.gz	OYXCUVHKIIOVBQ-AEFFLSMTSA-N	0	3	316.445	2.873	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000354748470	429008255	/nfs/dbraw/zinc/00/82/55/429008255.db2.gz	LBRLAIYVHBPXKN-XKQJLSEDSA-N	0	3	322.474	2.574	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000354748471	429008769	/nfs/dbraw/zinc/00/87/69/429008769.db2.gz	LBRLAIYVHBPXKN-XYPHTWIQSA-N	0	3	322.474	2.574	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(OC2CCCC2)c1	ZINC000424083237	429089288	/nfs/dbraw/zinc/08/92/88/429089288.db2.gz	ATEQIOTZWDJTNY-MRXNPFEDSA-N	0	3	301.390	2.968	20	30		DFEDHN
CC1(C)CN(C(=O)[C@@H](N)CCCC#N)c2cccc(Cl)c21	ZINC000424109392	429092265	/nfs/dbraw/zinc/09/22/65/429092265.db2.gz	ATVQCGYXSKWWGI-LBPRGKRZSA-N	0	3	305.809	2.985	20	30		DFEDHN
CCSc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424113614	429092664	/nfs/dbraw/zinc/09/26/64/429092664.db2.gz	NRZNESVPJRPTCD-IUODEOHRSA-N	0	3	305.447	2.997	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1ccccc1	ZINC000424117598	429093949	/nfs/dbraw/zinc/09/39/49/429093949.db2.gz	CQJUMRJNRCHGOB-CWRNSKLLSA-N	0	3	317.458	2.713	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)c1ccccc1	ZINC000424123507	429094088	/nfs/dbraw/zinc/09/40/88/429094088.db2.gz	KZAXMVSVTQDLQC-HOTGVXAUSA-N	0	3	301.434	2.880	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424124139	429094395	/nfs/dbraw/zinc/09/43/95/429094395.db2.gz	LMXQHAADSGYXPL-IAGOWNOFSA-N	0	3	319.424	2.872	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OC2CCC2)c(F)c1	ZINC000424127341	429095039	/nfs/dbraw/zinc/09/50/39/429095039.db2.gz	QLCFZQSFEMVSJI-AWEZNQCLSA-N	0	3	305.353	2.717	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000424123518	429095178	/nfs/dbraw/zinc/09/51/78/429095178.db2.gz	LAIMPXRBSXUNDN-CQSZACIVSA-N	0	3	305.809	2.509	20	30		DFEDHN
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](N)CCCC#N	ZINC000424119570	429095221	/nfs/dbraw/zinc/09/52/21/429095221.db2.gz	FURTUAUKQGCISZ-CQDKDKBSSA-N	0	3	323.824	2.553	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](OCCOCC)C1	ZINC000355222458	429035353	/nfs/dbraw/zinc/03/53/53/429035353.db2.gz	NEVDAOWKSWBXNL-QGZVFWFLSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000355324177	429039324	/nfs/dbraw/zinc/03/93/24/429039324.db2.gz	XFRADNGITVJBEG-SFHVURJKSA-N	0	3	314.429	2.960	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H]1CCCN(C(C)=O)C1	ZINC000355414204	429043385	/nfs/dbraw/zinc/04/33/85/429043385.db2.gz	NOCNDELXSTUCKM-MRXNPFEDSA-N	0	3	302.418	2.600	20	30		DFEDHN
C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CCN(C2CC2)C1	ZINC000452166770	429076020	/nfs/dbraw/zinc/07/60/20/429076020.db2.gz	AKOJBMQYSPADFI-HNNXBMFYSA-N	0	3	323.440	2.533	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1	ZINC000424060665	429085274	/nfs/dbraw/zinc/08/52/74/429085274.db2.gz	DAKQCRPDFIOOPG-HOTGVXAUSA-N	0	3	303.406	2.530	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC(c1ccccc1)c1ccccc1	ZINC000424068386	429086163	/nfs/dbraw/zinc/08/61/63/429086163.db2.gz	RUUIZYYEZSOJSA-IBGZPJMESA-N	0	3	321.424	2.956	20	30		DFEDHN
CCOc1ccc2nc(NC(=O)[C@@H](N)CCCC#N)sc2c1	ZINC000424075257	429087050	/nfs/dbraw/zinc/08/70/50/429087050.db2.gz	JAHWKVQSHBZADS-NSHDSACASA-N	0	3	318.402	2.655	20	30		DFEDHN
CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424482678	429144599	/nfs/dbraw/zinc/14/45/99/429144599.db2.gz	VASIPCKEFXJDHS-XKQJLSEDSA-N	0	3	314.433	2.801	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](N2CCCC2)C1	ZINC000301309597	274922229	/nfs/dbraw/zinc/92/22/29/274922229.db2.gz	XRXRCQDXUUJFGT-GFCCVEGCSA-N	0	3	310.323	2.647	20	30		DFEDHN
C=CCn1c(N(C)[C@@H]2CCN(C(C)C)C2)nnc1C(C)(C)C	ZINC000453446868	429149464	/nfs/dbraw/zinc/14/94/64/429149464.db2.gz	OPPQDJRFMFYXRY-CQSZACIVSA-N	0	3	305.470	2.681	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453457272	429149485	/nfs/dbraw/zinc/14/94/85/429149485.db2.gz	XPMGAIDHZMCCDD-OAHLLOKOSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCCN(C(C)C)CC1	ZINC000453452295	429149676	/nfs/dbraw/zinc/14/96/76/429149676.db2.gz	SWPUGTYXRQZSQY-UHFFFAOYSA-N	0	3	303.454	2.652	20	30		DFEDHN
COc1cc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)ccc1C#N	ZINC000453641765	429155491	/nfs/dbraw/zinc/15/54/91/429155491.db2.gz	YJHBKMGUGRBNLP-LJQANCHMSA-N	0	3	324.424	2.877	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cccc(OC)c1OC(F)F	ZINC000424169623	429104119	/nfs/dbraw/zinc/10/41/19/429104119.db2.gz	HZGXAXFKFCLCCO-AAEUAGOBSA-N	0	3	313.344	2.977	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(CC)CC1	ZINC000413054133	429129730	/nfs/dbraw/zinc/12/97/30/429129730.db2.gz	PKGZBIDZELSJOS-SFHVURJKSA-N	0	3	315.461	2.957	20	30		DFEDHN
CCCOc1ccc(C(=O)C(C#N)c2ccncn2)c(OC)c1	ZINC000453712728	429157246	/nfs/dbraw/zinc/15/72/46/429157246.db2.gz	BGPXVKOONYFYAL-AWEZNQCLSA-N	0	3	311.341	2.764	20	30		DFEDHN
C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C	ZINC000413094987	429135539	/nfs/dbraw/zinc/13/55/39/429135539.db2.gz	LYKMSRDPSMVZHU-RSUWNVLCSA-N	0	3	303.381	2.768	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000454336418	429164811	/nfs/dbraw/zinc/16/48/11/429164811.db2.gz	GUJODIUFYLTKEO-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C2CC2)C2CCC2)CC1	ZINC000454462859	429165881	/nfs/dbraw/zinc/16/58/81/429165881.db2.gz	LFAORMWXPPWVTN-QGZVFWFLSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000454788568	429172644	/nfs/dbraw/zinc/17/26/44/429172644.db2.gz	BEHWALYCFLSYEN-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(F)c(F)c1	ZINC000454826943	429173848	/nfs/dbraw/zinc/17/38/48/429173848.db2.gz	ZQFGXRFFMZXYSV-XHDPSFHLSA-N	0	3	311.376	2.831	20	30		DFEDHN
COCCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C	ZINC000487979269	429175519	/nfs/dbraw/zinc/17/55/19/429175519.db2.gz	ZQYCWBSIRUVSNZ-RHSMWYFYSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=C(C)CCNC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000455310180	429184540	/nfs/dbraw/zinc/18/45/40/429184540.db2.gz	MFXUMKOQIJANPX-UHFFFAOYSA-N	0	3	311.495	2.613	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488722048	429191112	/nfs/dbraw/zinc/19/11/12/429191112.db2.gz	NGBKVJSXHIAYBC-HEHGZKQESA-N	0	3	314.389	2.633	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000456011644	429232192	/nfs/dbraw/zinc/23/21/92/429232192.db2.gz	UYSZZTSYQFUZQN-XJKSGUPXSA-N	0	3	300.406	2.813	20	30		DFEDHN
Cc1nc(C(=O)NC[C@@H]2CCCCN2CC(C)C)ccc1C#N	ZINC000439682047	429220610	/nfs/dbraw/zinc/22/06/10/429220610.db2.gz	PBNJOLOPSIEBHU-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccccc2C#N)C1	ZINC000495555712	429221526	/nfs/dbraw/zinc/22/15/26/429221526.db2.gz	GPANVKQMQNAAJA-CZUORRHYSA-N	0	3	301.390	2.515	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H](Cc1ccccc1)CN(C)C)OCC	ZINC000270016690	275419685	/nfs/dbraw/zinc/41/96/85/275419685.db2.gz	HJYXGAMGGQKVFS-ROUUACIJSA-N	0	3	318.461	2.647	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]([C@H]2CCOC2)C1	ZINC000441275679	429229233	/nfs/dbraw/zinc/22/92/33/429229233.db2.gz	FSOVGNFYTAIUNL-CVEARBPZSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCCCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495281443	429196850	/nfs/dbraw/zinc/19/68/50/429196850.db2.gz	NEJIVESJAGWZEK-GJZGRUSLSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CCOCC1	ZINC000424834893	429197904	/nfs/dbraw/zinc/19/79/04/429197904.db2.gz	ARZUMMWIIDYFEP-IXDOHACOSA-N	0	3	320.477	2.548	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455702365	429200327	/nfs/dbraw/zinc/20/03/27/429200327.db2.gz	LFDMOKGNBADTOM-UHFFFAOYSA-N	0	3	318.808	2.789	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000442687547	429234951	/nfs/dbraw/zinc/23/49/51/429234951.db2.gz	YLOJEBIAIIPWRV-KBXCAEBGSA-N	0	3	300.402	2.889	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000442798280	429236514	/nfs/dbraw/zinc/23/65/14/429236514.db2.gz	YJUABHKVVWFSQO-GJYPPUQNSA-N	0	3	313.445	2.689	20	30		DFEDHN
CC(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)Nc1nccs1	ZINC000442829905	429237179	/nfs/dbraw/zinc/23/71/79/429237179.db2.gz	QNGYXRNPMMOZGU-AVGNSLFASA-N	0	3	306.435	2.778	20	30		DFEDHN
CCN1CCN(Cc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)CC1	ZINC000442870476	429239533	/nfs/dbraw/zinc/23/95/33/429239533.db2.gz	DAULZFRXKGCPGY-PKOBYXMFSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=C(C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000456122564	429244084	/nfs/dbraw/zinc/24/40/84/429244084.db2.gz	OIQHRVODAHZOCA-UHFFFAOYSA-N	0	3	315.461	2.590	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1ncc2c(c1C#N)CCC2	ZINC000425233266	429248814	/nfs/dbraw/zinc/24/88/14/429248814.db2.gz	GIERVVWNJRVOHK-UHFFFAOYSA-N	0	3	310.401	2.603	20	30		DFEDHN
CC(C)NC(=O)OC[C@H]1CCCCN1CCCSCC#N	ZINC000495750984	429259039	/nfs/dbraw/zinc/25/90/39/429259039.db2.gz	UXIJXMOROHMMEM-CQSZACIVSA-N	0	3	313.467	2.622	20	30		DFEDHN
Cc1cc(CNCCOCC(F)(F)C(F)F)ccc1C#N	ZINC000443981067	429259703	/nfs/dbraw/zinc/25/97/03/429259703.db2.gz	BYIZUDRWHMCUFJ-UHFFFAOYSA-N	0	3	304.287	2.873	20	30		DFEDHN
CC1CCC2(CCN(CC(=O)N(CCC#N)CCC#N)C2)CC1	ZINC000365261399	429289054	/nfs/dbraw/zinc/28/90/54/429289054.db2.gz	WWIBHMQVNHICBM-UHFFFAOYSA-N	0	3	316.449	2.545	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C	ZINC000444773641	429276591	/nfs/dbraw/zinc/27/65/91/429276591.db2.gz	FDWQDVQVDCHBDV-OWCLPIDISA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1(C)C	ZINC000444964019	429279454	/nfs/dbraw/zinc/27/94/54/429279454.db2.gz	HMXJAEIXHQXBNV-GDBMZVCRSA-N	0	3	305.466	2.999	20	30		DFEDHN
CCn1ccnc1[C@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000456344268	429282121	/nfs/dbraw/zinc/28/21/21/429282121.db2.gz	FQWVTVRPOZFZRY-GOEBONIOSA-N	0	3	310.401	2.853	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000448810945	429318641	/nfs/dbraw/zinc/31/86/41/429318641.db2.gz	OLBFHYWZUANPQG-SZVBFZGTSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000448810827	429319181	/nfs/dbraw/zinc/31/91/81/429319181.db2.gz	JMOCXTFPWHWKAD-QRWLVFNGSA-N	0	3	323.440	2.585	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCCCC1	ZINC000448975502	429321178	/nfs/dbraw/zinc/32/11/78/429321178.db2.gz	HWXFTRWHSOYLTP-QGZVFWFLSA-N	0	3	321.509	2.513	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)[nH]c1C)C(C)C	ZINC000448977401	429321609	/nfs/dbraw/zinc/32/16/09/429321609.db2.gz	YNAPJUBCACRUBM-KRWDZBQOSA-N	0	3	314.433	2.623	20	30		DFEDHN
C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN(C2CCC2)C1	ZINC000491140637	429328092	/nfs/dbraw/zinc/32/80/92/429328092.db2.gz	HGUZVCYGQXRDST-HNNXBMFYSA-N	0	3	320.481	2.832	20	30		DFEDHN
C#C[C@H](NC(=O)Cc1nc[nH]c1C)c1ccc(Cl)cc1F	ZINC000491127034	429328545	/nfs/dbraw/zinc/32/85/45/429328545.db2.gz	VFYKOMVRPWPCQE-ZDUSSCGKSA-N	0	3	305.740	2.544	20	30		DFEDHN
C=CCc1cc(CN2CC([C@@H]3CCOC3)C2)cc(OC)c1O	ZINC000365565230	429342899	/nfs/dbraw/zinc/34/28/99/429342899.db2.gz	YTYDUBNAQQMMTD-OAHLLOKOSA-N	0	3	303.402	2.598	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)/C=C\c2cccc(C#N)c2)CC1	ZINC000491290943	429344309	/nfs/dbraw/zinc/34/43/09/429344309.db2.gz	JXDNEDLURPCNLA-HJWRWDBZSA-N	0	3	311.429	2.904	20	30		DFEDHN
C#CCN(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000491308116	429345449	/nfs/dbraw/zinc/34/54/49/429345449.db2.gz	SSFOIUUEJABQTR-OAHLLOKOSA-N	0	3	319.474	2.796	20	30		DFEDHN
N#Cc1cccc(OCCN[C@H]2c3ccccc3CC[C@@H]2CO)c1	ZINC000365266168	429291888	/nfs/dbraw/zinc/29/18/88/429291888.db2.gz	LUFQQTIZKYHEQJ-YLJYHZDGSA-N	0	3	322.408	2.823	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000446056994	429298410	/nfs/dbraw/zinc/29/84/10/429298410.db2.gz	YGWHGJOSEVECDR-VXGBXAGGSA-N	0	3	321.371	2.829	20	30		DFEDHN
C[C@H](SCCN(C)C)C(=O)N(CCC#N)c1ccccc1	ZINC000446572297	429299322	/nfs/dbraw/zinc/29/93/22/429299322.db2.gz	JQPWPMWVNZCGEC-AWEZNQCLSA-N	0	3	305.447	2.617	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)CC1	ZINC000425448903	429300338	/nfs/dbraw/zinc/30/03/38/429300338.db2.gz	IZPCCNIIMRUSGP-FUHWJXTLSA-N	0	3	317.408	2.573	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425468938	429303935	/nfs/dbraw/zinc/30/39/35/429303935.db2.gz	DVZOOSNKYKBTNO-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
C#CCN(C[C@@H](O)CCOC(C)C)[C@@H]1CCc2ccccc21	ZINC000490740866	429304145	/nfs/dbraw/zinc/30/41/45/429304145.db2.gz	OFDQYIQMGZUQSB-PKOBYXMFSA-N	0	3	301.430	2.785	20	30		DFEDHN
C=CCN(CC=C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496053011	429304866	/nfs/dbraw/zinc/30/48/66/429304866.db2.gz	ZCRIBOBMAFDYLF-SFHVURJKSA-N	0	3	324.465	2.813	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)C1	ZINC000447529814	429305027	/nfs/dbraw/zinc/30/50/27/429305027.db2.gz	MTJRAZNEXCYISK-FXUDXRNXSA-N	0	3	308.372	2.896	20	30		DFEDHN
C#CCN(C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C1CCCCC1	ZINC000490779438	429305915	/nfs/dbraw/zinc/30/59/15/429305915.db2.gz	WDGGENIYKFPXHF-CABCVRRESA-N	0	3	303.450	2.589	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1Cl	ZINC000447981498	429308794	/nfs/dbraw/zinc/30/87/94/429308794.db2.gz	FTVAFVMUVDTKFZ-HOCLYGCPSA-N	0	3	311.809	2.534	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C[C@H]2C1	ZINC000496121029	429309559	/nfs/dbraw/zinc/30/95/59/429309559.db2.gz	IALYXWHUPUHVBD-YHUYYLMFSA-N	0	3	319.449	2.867	20	30		DFEDHN
CCOC(=O)N1CCC([C@H](C)NCC#Cc2ccccc2)CC1	ZINC000496128129	429309568	/nfs/dbraw/zinc/30/95/68/429309568.db2.gz	ZFMYHRMPJCTFAH-INIZCTEOSA-N	0	3	314.429	2.885	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](n2ccnn2)C1	ZINC000425497424	429309891	/nfs/dbraw/zinc/30/98/91/429309891.db2.gz	CPIRDRVJAUOHPD-MRXNPFEDSA-N	0	3	309.417	2.916	20	30		DFEDHN
C=CCCCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1	ZINC000448383464	429311839	/nfs/dbraw/zinc/31/18/39/429311839.db2.gz	IJXHDUIXZAYXDG-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C=CCCCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000448384678	429312349	/nfs/dbraw/zinc/31/23/49/429312349.db2.gz	RBODVFSJLUFQJT-IRXDYDNUSA-N	0	3	316.449	2.682	20	30		DFEDHN
C#CCCCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000365408774	429313212	/nfs/dbraw/zinc/31/32/12/429313212.db2.gz	ZGBWDQPTFIRFHA-UHFFFAOYSA-N	0	3	320.477	2.720	20	30		DFEDHN
C#CCN(C(=O)N[C@@H](C)C1=CCN(C)CC1)C1CCCCC1	ZINC000490948280	429314906	/nfs/dbraw/zinc/31/49/06/429314906.db2.gz	DGHMIOZITCGYEV-HNNXBMFYSA-N	0	3	303.450	2.614	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)CC1CCCCC1	ZINC000448776360	429317185	/nfs/dbraw/zinc/31/71/85/429317185.db2.gz	XDJSZMHNNUOOPI-UHFFFAOYSA-N	0	3	316.449	2.779	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000491707585	429393861	/nfs/dbraw/zinc/39/38/61/429393861.db2.gz	YKFJJOCYGLLFFF-IIAWOOMASA-N	0	3	319.474	2.842	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)Cc2ccc(C)cc2)CC1	ZINC000491717956	429397223	/nfs/dbraw/zinc/39/72/23/429397223.db2.gz	SFIHDJUOZYZMJR-UHFFFAOYSA-N	0	3	312.457	2.778	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000457100224	429401480	/nfs/dbraw/zinc/40/14/80/429401480.db2.gz	WGMZFYGQVSYKAA-ZWKOTPCHSA-N	0	3	313.445	2.700	20	30		DFEDHN
C#CCN1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000491773289	429406154	/nfs/dbraw/zinc/40/61/54/429406154.db2.gz	RJUUEUNGPOHMPS-QZTJIDSGSA-N	0	3	312.413	2.647	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000507267376	429348559	/nfs/dbraw/zinc/34/85/59/429348559.db2.gz	LURMONRLXMCJPF-BHDSKKPTSA-N	0	3	323.849	2.880	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000491350701	429350685	/nfs/dbraw/zinc/35/06/85/429350685.db2.gz	PMDQJEMYUFNYMW-DZGCQCFKSA-N	0	3	307.463	2.794	20	30		DFEDHN
C=C(CC)CNC(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000456832163	429353270	/nfs/dbraw/zinc/35/32/70/429353270.db2.gz	WFBLEMOWGJLLHA-UHFFFAOYSA-N	0	3	315.461	2.671	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000365636214	429357099	/nfs/dbraw/zinc/35/70/99/429357099.db2.gz	RHKCCDLBZWQGAR-UHFFFAOYSA-N	0	3	316.449	2.883	20	30		DFEDHN
C[C@@H]1[C@H](CO)CCN1Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000425990876	429357654	/nfs/dbraw/zinc/35/76/54/429357654.db2.gz	PREDJIUGSGOBIL-WBVHZDCISA-N	0	3	324.428	2.666	20	30		DFEDHN
C=CCN(Cc1n[nH]cc1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000365668585	429357976	/nfs/dbraw/zinc/35/79/76/429357976.db2.gz	QWDKMKYSMCBXAZ-GOSISDBHSA-N	0	3	310.445	2.981	20	30		DFEDHN
COc1ccccc1N1CC[C@H](CNC[C@H](C#N)CCC#N)C1	ZINC000516645300	429381617	/nfs/dbraw/zinc/38/16/17/429381617.db2.gz	SXNNOYXQXSWGML-JKSUJKDBSA-N	0	3	312.417	2.555	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(OC(C)C)cc1Cl	ZINC000491638265	429382840	/nfs/dbraw/zinc/38/28/40/429382840.db2.gz	XCSPVAFYHOTRRS-UHFFFAOYSA-N	0	3	322.836	2.812	20	30		DFEDHN
C#C[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)C(C)C	ZINC000491638763	429383656	/nfs/dbraw/zinc/38/36/56/429383656.db2.gz	WDSNQVXJENZBKY-UONOGXRCSA-N	0	3	314.198	2.869	20	30		DFEDHN
C#C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(F)cc1	ZINC000491669956	429387735	/nfs/dbraw/zinc/38/77/35/429387735.db2.gz	OHJSIQDCKGUSGH-SFHVURJKSA-N	0	3	310.372	2.992	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC)cc1OC	ZINC000449546793	429447765	/nfs/dbraw/zinc/44/77/65/429447765.db2.gz	DVPAOTREBWENGM-KGLIPLIRSA-N	0	3	307.390	2.536	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1C#N	ZINC000449553606	429448224	/nfs/dbraw/zinc/44/82/24/429448224.db2.gz	MEUPQBIMQSDJHH-HLLBOEOZSA-N	0	3	300.402	2.550	20	30		DFEDHN
CN(CCNC(=O)c1ccc(C#Cc2ccccc2)cc1)C1CC1	ZINC000519189748	429451557	/nfs/dbraw/zinc/45/15/57/429451557.db2.gz	USCSPSNLLRSOOG-UHFFFAOYSA-N	0	3	318.420	2.910	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1cccc(CN(C)C)c1	ZINC000457426005	429462514	/nfs/dbraw/zinc/46/25/14/429462514.db2.gz	FGWALPKBJWKHHY-QZTJIDSGSA-N	0	3	316.445	2.736	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)cc1C#N	ZINC000449633759	429467151	/nfs/dbraw/zinc/46/71/51/429467151.db2.gz	QAZIRYWWLJMKRQ-IAGOWNOFSA-N	0	3	300.402	2.956	20	30		DFEDHN
CO[C@](C)(CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000449484182	429432016	/nfs/dbraw/zinc/43/20/16/429432016.db2.gz	LMDZUBYFVGSRIA-LJQANCHMSA-N	0	3	320.396	2.857	20	30		DFEDHN
COc1cccnc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000449745603	429496550	/nfs/dbraw/zinc/49/65/50/429496550.db2.gz	CIHFSGXNIJFFSB-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C#N)o2)C[C@@H]1c1ccccc1	ZINC000449755269	429500438	/nfs/dbraw/zinc/50/04/38/429500438.db2.gz	NQOKZRWUOHTHLW-IAGOWNOFSA-N	0	3	310.353	2.540	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N(C)CC(C)(C)C#N	ZINC000520321613	429509523	/nfs/dbraw/zinc/50/95/23/429509523.db2.gz	LOCGIVSZCMWFHF-UHFFFAOYSA-N	0	3	318.421	2.770	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2c1	ZINC000366957666	429547663	/nfs/dbraw/zinc/54/76/63/429547663.db2.gz	DXFGBVLMNQEUTN-KURKYZTESA-N	0	3	324.428	2.721	20	30		DFEDHN
O=C1C[C@H]([C@H]2CCCCN2CC#Cc2cccc(Cl)c2)CN1	ZINC000367022754	429560648	/nfs/dbraw/zinc/56/06/48/429560648.db2.gz	URLDHBSKIRCTQH-DOTOQJQBSA-N	0	3	316.832	2.682	20	30		DFEDHN
CCOC1(C)CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000428714700	429546073	/nfs/dbraw/zinc/54/60/73/429546073.db2.gz	DEDYXBZONLOVTL-UHFFFAOYSA-N	0	3	321.446	2.839	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C2(C#N)CCCC2)cc1F	ZINC000458323668	429620444	/nfs/dbraw/zinc/62/04/44/429620444.db2.gz	RPJMPYSUQYSTER-UHFFFAOYSA-N	0	3	319.380	2.789	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)c1ccc(C#N)o1)N1CCC(C)CC1	ZINC000429866359	429637208	/nfs/dbraw/zinc/63/72/08/429637208.db2.gz	KVDNOBUDTHIVAP-OAHLLOKOSA-N	0	3	303.406	2.638	20	30		DFEDHN
C[C@H](O)CN(CCOc1ccccc1C#N)Cc1ccccc1	ZINC000524970876	429642686	/nfs/dbraw/zinc/64/26/86/429642686.db2.gz	CKTQYIHDGPTTJK-INIZCTEOSA-N	0	3	310.397	2.820	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)cc1	ZINC000458198224	429599229	/nfs/dbraw/zinc/59/92/29/429599229.db2.gz	GQBFKFYJPZHSLT-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C[C@@H]1CN(CC2CCN(CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000450342357	429604851	/nfs/dbraw/zinc/60/48/51/429604851.db2.gz	RYHKGXXMJQYMPS-IYBDPMFKSA-N	0	3	305.466	2.501	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)CSc1ccc(C#N)cc1	ZINC000110992499	276160076	/nfs/dbraw/zinc/16/00/76/276160076.db2.gz	DJOSSTFOKQGVAP-HNNXBMFYSA-N	0	3	317.458	2.641	20	30		DFEDHN
C=CCC1(C(=O)N[C@H](C)CCN2CCN(C)CC2)CCCCC1	ZINC000450717117	429684734	/nfs/dbraw/zinc/68/47/34/429684734.db2.gz	ZKUAEGCPECGHSY-QGZVFWFLSA-N	0	3	321.509	2.655	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCN1CCc1ccccc1	ZINC000367686614	429699073	/nfs/dbraw/zinc/69/90/73/429699073.db2.gz	JFHFOJZPMHKLIA-PKOBYXMFSA-N	0	3	313.445	2.750	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(CCOCC3CCCC3)C2)nc1	ZINC000459492479	429699762	/nfs/dbraw/zinc/69/97/62/429699762.db2.gz	NRUNIISGXNPDON-QGZVFWFLSA-N	0	3	315.417	2.613	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1	ZINC000367658940	429693557	/nfs/dbraw/zinc/69/35/57/429693557.db2.gz	RAABRHBQLPWWBE-INIZCTEOSA-N	0	3	324.428	3.003	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCN1CCc1ccccc1	ZINC000367686613	429700154	/nfs/dbraw/zinc/70/01/54/429700154.db2.gz	JFHFOJZPMHKLIA-MJGOQNOKSA-N	0	3	313.445	2.750	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1C#N	ZINC000459780470	429702159	/nfs/dbraw/zinc/70/21/59/429702159.db2.gz	VNFNYCWXFPLRSO-CYBMUJFWSA-N	0	3	318.417	2.976	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1	ZINC000367706275	429702350	/nfs/dbraw/zinc/70/23/50/429702350.db2.gz	RWUYAVKQLNWFMM-QGZVFWFLSA-N	0	3	309.413	2.812	20	30		DFEDHN
CC(C)[C@@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C	ZINC000431122872	429743365	/nfs/dbraw/zinc/74/33/65/429743365.db2.gz	VYFWYVYWMSKTMB-WBVHZDCISA-N	0	3	302.418	2.664	20	30		DFEDHN
COc1ccc(CN2CC[C@H]2CNCc2ccc(C#N)o2)cc1	ZINC000527775785	429796516	/nfs/dbraw/zinc/79/65/16/429796516.db2.gz	UPTPVRFLMXGFBQ-HNNXBMFYSA-N	0	3	311.385	2.524	20	30		DFEDHN
CN(C)C/C=C/C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000493588108	429791670	/nfs/dbraw/zinc/79/16/70/429791670.db2.gz	LNJGCFPAVNQOQV-ONEGZZNKSA-N	0	3	322.368	2.802	20	30		DFEDHN
C=CCOc1ccc(CN[C@]23C[C@H]2COC3(C)C)cc1OC	ZINC000527759098	429793400	/nfs/dbraw/zinc/79/34/00/429793400.db2.gz	MXFMKMSTCYKZDR-KBXCAEBGSA-N	0	3	303.402	2.917	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000451390461	429821150	/nfs/dbraw/zinc/82/11/50/429821150.db2.gz	DCFNJUUWNCFQOU-NXHRZFHOSA-N	0	3	320.477	2.881	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC(CF)CC1	ZINC000451386789	429821836	/nfs/dbraw/zinc/82/18/36/429821836.db2.gz	AYNQTEUHXGDMAM-KRWDZBQOSA-N	0	3	307.409	2.836	20	30		DFEDHN
Cc1ccnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1C#N	ZINC000368429867	429847551	/nfs/dbraw/zinc/84/75/51/429847551.db2.gz	QWGVQSHWBMJDLE-QGZVFWFLSA-N	0	3	306.413	2.972	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000494217234	429859940	/nfs/dbraw/zinc/85/99/40/429859940.db2.gz	ULYDEVONXBXNOA-MSOLQXFVSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](CC)c1ccc(Cl)cc1	ZINC000451604160	429860466	/nfs/dbraw/zinc/86/04/66/429860466.db2.gz	GOCPWKOTIVYLHV-OAGGEKHMSA-N	0	3	322.836	2.840	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1SC	ZINC000451603374	429860925	/nfs/dbraw/zinc/86/09/25/429860925.db2.gz	ZAGONKQCOHMNFI-SCRDCRAPSA-N	0	3	306.431	2.669	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC1=Nn1cnnc1	ZINC000494297649	429865611	/nfs/dbraw/zinc/86/56/11/429865611.db2.gz	DXRSKSOSEVKLEO-JSGCOSHPSA-N	0	3	319.409	2.682	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000451338102	429813784	/nfs/dbraw/zinc/81/37/84/429813784.db2.gz	GRALZYIHWMBWTO-WNRNVDISSA-N	0	3	322.493	2.815	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)n1	ZINC000528365355	429879929	/nfs/dbraw/zinc/87/99/29/429879929.db2.gz	XDSUWYOOTFYMOB-KBPBESRZSA-N	0	3	305.447	2.686	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](Cc2ccncc2)C1	ZINC000368652337	429882440	/nfs/dbraw/zinc/88/24/40/429882440.db2.gz	ZEYLOGANBGAHFC-WMZOPIPTSA-N	0	3	315.461	2.759	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccccc1C#N	ZINC000528382895	429882872	/nfs/dbraw/zinc/88/28/72/429882872.db2.gz	UKCVMERMIOQQGQ-QAPCUYQASA-N	0	3	322.408	2.917	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000528388084	429883781	/nfs/dbraw/zinc/88/37/81/429883781.db2.gz	GMKKUZFWJBJSMS-UHFFFAOYSA-N	0	3	317.433	2.573	20	30		DFEDHN
COCc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CC2)o1	ZINC000528452892	429890264	/nfs/dbraw/zinc/89/02/64/429890264.db2.gz	NKJNDUNRYSNKAB-UKRRQHHQSA-N	0	3	304.390	2.618	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@@H]1CCCN1CCc1ccccc1	ZINC000368786760	429893637	/nfs/dbraw/zinc/89/36/37/429893637.db2.gz	YNKOCXGXMCKESN-SFHVURJKSA-N	0	3	312.457	2.859	20	30		DFEDHN
N#CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1	ZINC000368823310	429896801	/nfs/dbraw/zinc/89/68/01/429896801.db2.gz	OEVALPFGRNBQGC-HNNXBMFYSA-N	0	3	315.392	2.600	20	30		DFEDHN
Cn1ccnc1[C@H](O)C1CCN(CCCCC(C)(C)C#N)CC1	ZINC000368998539	429906372	/nfs/dbraw/zinc/90/63/72/429906372.db2.gz	AUWOBURBSRKUTD-MRXNPFEDSA-N	0	3	318.465	2.886	20	30		DFEDHN
C=CCCCN1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1	ZINC000369255837	429921738	/nfs/dbraw/zinc/92/17/38/429921738.db2.gz	XCRUPXRUBZOKHE-CYBMUJFWSA-N	0	3	305.426	2.697	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)[nH]c1C	ZINC000451695993	429872585	/nfs/dbraw/zinc/87/25/85/429872585.db2.gz	OLTYAAOMTJUJCV-UHFFFAOYSA-N	0	3	302.422	2.533	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1	ZINC000451701444	429874835	/nfs/dbraw/zinc/87/48/35/429874835.db2.gz	QIKBRVZTZDLNGX-INMHGKMJSA-N	0	3	300.402	2.550	20	30		DFEDHN
C=CCCCCNC(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@@H](OC)C1	ZINC000637055562	429974512	/nfs/dbraw/zinc/97/45/12/429974512.db2.gz	IJNGCARPUGAUQN-IXDOHACOSA-N	0	3	323.481	2.626	20	30		DFEDHN
CCOc1ccc([C@H](C)NC(=O)CCCNCCC#N)cc1	ZINC000573712667	429976972	/nfs/dbraw/zinc/97/69/72/429976972.db2.gz	FNFBGXNYFHDCQC-AWEZNQCLSA-N	0	3	303.406	2.546	20	30		DFEDHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1	ZINC000528915329	429933709	/nfs/dbraw/zinc/93/37/09/429933709.db2.gz	CGMOTNIDIIFWDB-QLFBSQMISA-N	0	3	302.349	2.553	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1Cc2c1cccc2Cl	ZINC000528922928	429934193	/nfs/dbraw/zinc/93/41/93/429934193.db2.gz	CRJFKKSERTYLNN-UONOGXRCSA-N	0	3	316.788	2.747	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC12CC2	ZINC000528997349	429946155	/nfs/dbraw/zinc/94/61/55/429946155.db2.gz	UPFUCSHEWHKYCR-HZPDHXFCSA-N	0	3	310.397	2.934	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2ncccn2)CC1	ZINC000369449608	429947757	/nfs/dbraw/zinc/94/77/57/429947757.db2.gz	XLOAOJQUBNKSMJ-HNNXBMFYSA-N	0	3	307.401	2.622	20	30		DFEDHN
COC[C@]1(N[C@H]2CCC[C@@H](C#N)C2)COc2ccccc2C1	ZINC000529669990	430048978	/nfs/dbraw/zinc/04/89/78/430048978.db2.gz	ZGMQNOGJFUDRDC-HFTRVMKXSA-N	0	3	300.402	2.679	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1(C#N)CC1)N(C)C	ZINC000574355915	430034774	/nfs/dbraw/zinc/03/47/74/430034774.db2.gz	QSPACBNFLVCIIF-GDBMZVCRSA-N	0	3	314.433	2.589	20	30		DFEDHN
CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2COC[C@@H]21	ZINC000574377188	430034783	/nfs/dbraw/zinc/03/47/83/430034783.db2.gz	ISPRURUBSPBVGP-YESZJQIVSA-N	0	3	312.413	2.642	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H]1CCN1C1CCCCC1)[C@@H](C)COC	ZINC000637368004	430037358	/nfs/dbraw/zinc/03/73/58/430037358.db2.gz	NEOWWLHWZYQKFJ-RDJZCZTQSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	ZINC000639905112	430017427	/nfs/dbraw/zinc/01/74/27/430017427.db2.gz	RNZPMUPNGRNSAP-NXHRZFHOSA-N	0	3	316.445	2.919	20	30		DFEDHN
C=C(C)COc1cc(CNC2(CC(=O)OC)CC2)ccc1OC	ZINC000575994530	430101308	/nfs/dbraw/zinc/10/13/08/430101308.db2.gz	LIGXBSQGOIQOIU-UHFFFAOYSA-N	0	3	319.401	2.835	20	30		DFEDHN
C=CCCCCN1CCCN(c2nccc(OCC)n2)CC1	ZINC000575132379	430055222	/nfs/dbraw/zinc/05/52/22/430055222.db2.gz	BCMSAHMHGWQOIJ-UHFFFAOYSA-N	0	3	304.438	2.744	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncoc1CC)C(C)C	ZINC000265990272	276891882	/nfs/dbraw/zinc/89/18/82/276891882.db2.gz	MFHBDNJQEXKUMQ-CQSZACIVSA-N	0	3	305.422	2.665	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC12CCCC2	ZINC000529715314	430056437	/nfs/dbraw/zinc/05/64/37/430056437.db2.gz	DEDCOOIPOPJSDV-QFBILLFUSA-N	0	3	315.461	2.984	20	30		DFEDHN
COCc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1C#N	ZINC000529817500	430070323	/nfs/dbraw/zinc/07/03/23/430070323.db2.gz	XLGRZMHDABKEDV-MJBXVCDLSA-N	0	3	315.417	2.904	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Br)c(F)c1F	ZINC000529878799	430081323	/nfs/dbraw/zinc/08/13/23/430081323.db2.gz	WFUGRERGUOEURX-ZCFIWIBFSA-N	0	3	303.106	2.503	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1C1CCC1	ZINC000563197665	430180000	/nfs/dbraw/zinc/18/00/00/430180000.db2.gz	OCRJDYZEJPVNDJ-QZTJIDSGSA-N	0	3	312.413	2.786	20	30		DFEDHN
C=CCCC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000539196982	430176042	/nfs/dbraw/zinc/17/60/42/430176042.db2.gz	APHWFCDEALPFLA-MRXNPFEDSA-N	0	3	324.490	2.950	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000530648620	430120685	/nfs/dbraw/zinc/12/06/85/430120685.db2.gz	VZMQRGQXXNWIEG-UHFFFAOYSA-N	0	3	306.409	2.720	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1	ZINC000531145572	430132316	/nfs/dbraw/zinc/13/23/16/430132316.db2.gz	BZFCTRXDCYBCPP-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
Cn1cc([C@@H]2CN(CCOc3cccc(C#N)c3)CC2(C)C)cn1	ZINC000562478289	430136472	/nfs/dbraw/zinc/13/64/72/430136472.db2.gz	INEPXWVHIPWIRL-SFHVURJKSA-N	0	3	324.428	2.796	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000562569609	430149203	/nfs/dbraw/zinc/14/92/03/430149203.db2.gz	ZDNCNUPUBDMIEG-VUCTXSBTSA-N	0	3	315.417	2.965	20	30		DFEDHN
CC1(C)[C@H](O)C[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000565159751	430203994	/nfs/dbraw/zinc/20/39/94/430203994.db2.gz	AJOHYIARUIUMKF-UONOGXRCSA-N	0	3	313.319	2.686	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc3c(cn2)CCCC3)CC1	ZINC000565338799	430208386	/nfs/dbraw/zinc/20/83/86/430208386.db2.gz	YRVTYTACWCNDCN-UHFFFAOYSA-N	0	3	314.433	2.732	20	30		DFEDHN
Cc1cc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)ccc1C#N	ZINC000582010704	430260067	/nfs/dbraw/zinc/26/00/67/430260067.db2.gz	AIKAIRRLFBUIFM-KRWDZBQOSA-N	0	3	311.429	2.603	20	30		DFEDHN
CC(C)(CO)[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000566463803	430262675	/nfs/dbraw/zinc/26/26/75/430262675.db2.gz	KVDHNTJIPXKJHK-IRXDYDNUSA-N	0	3	314.429	2.672	20	30		DFEDHN
C[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)cc1F	ZINC000543762849	430264992	/nfs/dbraw/zinc/26/49/92/430264992.db2.gz	OYTCSKLTBPCEFA-ZDUSSCGKSA-N	0	3	310.372	2.878	20	30		DFEDHN
N#CCCn1cc(CN2C[C@@H]3CCC[C@@H]32)c(-c2ccncc2)n1	ZINC000567060499	430276637	/nfs/dbraw/zinc/27/66/37/430276637.db2.gz	BZDDSPABSFZPAR-RDJZCZTQSA-N	0	3	307.401	2.843	20	30		DFEDHN
CC(C)C[C@H](NC[C@H](O)CN(C)CCC#N)c1cccs1	ZINC000567227622	430281627	/nfs/dbraw/zinc/28/16/27/430281627.db2.gz	SYLOBVRJPAJTGP-GJZGRUSLSA-N	0	3	309.479	2.631	20	30		DFEDHN
CCC[C@H](C)[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000565722294	430225504	/nfs/dbraw/zinc/22/55/04/430225504.db2.gz	OWZVCVTXOVFQCB-USXIJHARSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)onc2C2CC2)CC1	ZINC000565755891	430227264	/nfs/dbraw/zinc/22/72/64/430227264.db2.gz	DCEAHKYHHSVXQH-UHFFFAOYSA-N	0	3	303.406	2.631	20	30		DFEDHN
C[C@H](NCCN1CCO[C@H](C)C1)c1ccc(C#N)cc1Cl	ZINC000582822903	430337432	/nfs/dbraw/zinc/33/74/32/430337432.db2.gz	IJSWPRIQEAHPAD-OLZOCXBDSA-N	0	3	307.825	2.583	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000547416497	430392325	/nfs/dbraw/zinc/39/23/25/430392325.db2.gz	CXHUGNRXQQFPBN-TZMCWYRMSA-N	0	3	316.405	2.513	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000547979501	430435336	/nfs/dbraw/zinc/43/53/36/430435336.db2.gz	AXTHDURFXGSNPI-AWEZNQCLSA-N	0	3	305.809	2.814	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1Cl	ZINC000548303901	430461640	/nfs/dbraw/zinc/46/16/40/430461640.db2.gz	DRYCGFTVPWFULJ-HNNXBMFYSA-N	0	3	317.820	2.912	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(Cl)cccc1N1CCOCC1	ZINC000641760871	430464676	/nfs/dbraw/zinc/46/46/76/430464676.db2.gz	YNSWVMJJNYTNHP-CQSZACIVSA-N	0	3	324.852	2.593	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccccc1OCc1cccnc1	ZINC000641768747	430466434	/nfs/dbraw/zinc/46/64/34/430466434.db2.gz	GZJZUHYMQJNQQN-SFHVURJKSA-N	0	3	310.397	2.525	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OCc2ccncc2)cc1	ZINC000641769276	430467241	/nfs/dbraw/zinc/46/72/41/430467241.db2.gz	RRECUNZYFYBRIF-SFHVURJKSA-N	0	3	310.397	2.525	20	30		DFEDHN
C[C@@H](c1ccccc1F)N(C)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000584232765	430470475	/nfs/dbraw/zinc/47/04/75/430470475.db2.gz	VLWHTCSZUMZKCS-STQMWFEESA-N	0	3	313.380	2.629	20	30		DFEDHN
CN(CCNc1nc(C#N)c(Cl)s1)Cc1ccccc1	ZINC000596088259	430506971	/nfs/dbraw/zinc/50/69/71/430506971.db2.gz	JRFCAIJSYSJHCS-UHFFFAOYSA-N	0	3	306.822	3.212	20	30		DFEDHN
C=CCN(CC=C)C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000642510507	430515875	/nfs/dbraw/zinc/51/58/75/430515875.db2.gz	RGRMJTNFZRRGON-UHFFFAOYSA-N	0	3	303.406	2.963	20	30		DFEDHN
CN(C)CCNc1ccc(-c2ccc(C#N)c(Cl)c2)cn1	ZINC000600774179	430533809	/nfs/dbraw/zinc/53/38/09/430533809.db2.gz	CYDSOQAIWKAPDE-UHFFFAOYSA-N	0	3	300.793	3.247	20	30		DFEDHN
COc1ccc(C[C@@H](C)NC[C@H](C#N)CCC#N)cc1OC	ZINC000570509629	430549483	/nfs/dbraw/zinc/54/94/83/430549483.db2.gz	IEWAQKPCYISCIA-HIFRSBDPSA-N	0	3	301.390	2.668	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCCNc2ccc(-c3ccccc3)nn2)C1	ZINC000618568653	430594503	/nfs/dbraw/zinc/59/45/03/430594503.db2.gz	SBFQILALRMHTDZ-RDJZCZTQSA-N	0	3	321.428	3.227	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCCNc2ccc(-c3ccccc3)nn2)C1	ZINC000618568655	430594562	/nfs/dbraw/zinc/59/45/62/430594562.db2.gz	SBFQILALRMHTDZ-WBVHZDCISA-N	0	3	321.428	3.227	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H](C2CC2)C2CCC2)cc1	ZINC000571022462	430596988	/nfs/dbraw/zinc/59/69/88/430596988.db2.gz	XOXYRROLKQZEJX-ZWKOTPCHSA-N	0	3	307.397	2.935	20	30		DFEDHN
N#CC1(CCN2CCC[C@H](c3nnc(N)o3)C2)CCCCC1	ZINC000602891236	430544204	/nfs/dbraw/zinc/54/42/04/430544204.db2.gz	GPEOIHKRNNEWOV-ZDUSSCGKSA-N	0	3	303.410	2.695	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](C(=O)N2CCCC2)C1	ZINC000554890570	430656023	/nfs/dbraw/zinc/65/60/23/430656023.db2.gz	QMZUOFJMUMJADU-KRWDZBQOSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC(C2CC2)C1)C(C)C	ZINC000643633147	430620706	/nfs/dbraw/zinc/62/07/06/430620706.db2.gz	LOFBNCUOEUGIJB-QGZVFWFLSA-N	0	3	305.466	2.736	20	30		DFEDHN
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000553774501	430622672	/nfs/dbraw/zinc/62/26/72/430622672.db2.gz	KHPGFOSQXJQOKB-BLLLJJGKSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCC[C@@H](O)CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	ZINC000554276551	430631633	/nfs/dbraw/zinc/63/16/33/430631633.db2.gz	WOPXHVLTPNZNRP-ARFHVFGLSA-N	0	3	307.459	2.814	20	30		DFEDHN
CN1CCC[C@@H](CNc2nccc(C#N)n2)[C@H]1c1cccs1	ZINC000571630432	430642032	/nfs/dbraw/zinc/64/20/32/430642032.db2.gz	TWGIPIAAEUBUPW-WFASDCNBSA-N	0	3	313.430	2.905	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000639461722	430646541	/nfs/dbraw/zinc/64/65/41/430646541.db2.gz	VAKGFACPSGOTDK-OALUTQOASA-N	0	3	303.446	2.629	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000572037538	430669110	/nfs/dbraw/zinc/66/91/10/430669110.db2.gz	ANLRCHUANWQLDZ-TXEJJXNPSA-N	0	3	317.355	2.602	20	30		DFEDHN
Cc1ccc(CCNCc2cnc3c(C#N)cnn3c2)c(C)c1	ZINC000556223958	430680862	/nfs/dbraw/zinc/68/08/62/430680862.db2.gz	PSGBBFCGPCGCAE-UHFFFAOYSA-N	0	3	305.385	2.550	20	30		DFEDHN
Cc1cccc(Cl)c1CN(C)CCCc1[nH]nc(N)c1C#N	ZINC000556249098	430682054	/nfs/dbraw/zinc/68/20/54/430682054.db2.gz	JGMVAUWHRREYPV-UHFFFAOYSA-N	0	3	317.824	2.890	20	30		DFEDHN
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@@H](N2CCCC2)C1	ZINC000556842707	430693916	/nfs/dbraw/zinc/69/39/16/430693916.db2.gz	OEKZUMYVQWNFFP-GFCCVEGCSA-N	0	3	310.323	2.647	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1	ZINC000573072874	430699674	/nfs/dbraw/zinc/69/96/74/430699674.db2.gz	LCEHDQSLOUULOL-YQQAZPJKSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1OC	ZINC000657703005	430712365	/nfs/dbraw/zinc/71/23/65/430712365.db2.gz	KHRYZAWTADHSRU-IAGOWNOFSA-N	0	3	303.402	2.653	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1	ZINC000661521270	430746025	/nfs/dbraw/zinc/74/60/25/430746025.db2.gz	CSYDFKONEITEIF-JENIJYKNSA-N	0	3	316.493	2.927	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000644573286	430756499	/nfs/dbraw/zinc/75/64/99/430756499.db2.gz	MLVPFTRJNHBBPL-UHFFFAOYSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=CCOCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000664866882	430766847	/nfs/dbraw/zinc/76/68/47/430766847.db2.gz	QQBQOCGQWXWGOV-DOTOQJQBSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=C(CNC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1	ZINC000644647402	430778946	/nfs/dbraw/zinc/77/89/46/430778946.db2.gz	WUDDBMDFHGOCPE-NRFANRHFSA-N	0	3	322.452	2.709	20	30		DFEDHN
C=CCN(CC(=O)N(C)Cc1ccccc1OC)C(C)(C)C	ZINC000661755094	430831108	/nfs/dbraw/zinc/83/11/08/430831108.db2.gz	JRCQOAJVTASELT-UHFFFAOYSA-N	0	3	304.434	2.940	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2OCc3ccccc32)CC1	ZINC000654748756	430805330	/nfs/dbraw/zinc/80/53/30/430805330.db2.gz	IKXOPEKBBWSGGT-SFHVURJKSA-N	0	3	314.429	2.805	20	30		DFEDHN
CN1C[C@H]2[C@@H](CCN2CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000644732439	430805514	/nfs/dbraw/zinc/80/55/14/430805514.db2.gz	UPNJILBWGFVNKC-HOCLYGCPSA-N	0	3	308.347	2.693	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NCc2cccc(N3CCOCC3)n2)C1	ZINC000651766393	430870932	/nfs/dbraw/zinc/87/09/32/430870932.db2.gz	FYPPKNRMZPYCAG-CVEARBPZSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCN(c2ccncc2)CC1	ZINC000644971547	430880073	/nfs/dbraw/zinc/88/00/73/430880073.db2.gz	APJUNWIVINQARK-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)[C@H]1CCN(C)C1	ZINC000665151014	430838201	/nfs/dbraw/zinc/83/82/01/430838201.db2.gz	NQFAIYWVLLAGMF-MSOLQXFVSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCOCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1	ZINC000658210581	430843609	/nfs/dbraw/zinc/84/36/09/430843609.db2.gz	USQADYLOFSCEDT-KRWDZBQOSA-N	0	3	303.381	2.831	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659043698	430949758	/nfs/dbraw/zinc/94/97/58/430949758.db2.gz	PWHZGPAHQKZJRD-IAGOWNOFSA-N	0	3	315.417	2.920	20	30		DFEDHN
C=CCC1(NC(=O)Nc2cccc(CNC)c2)CCOCC1	ZINC000659017832	430940161	/nfs/dbraw/zinc/94/01/61/430940161.db2.gz	CFFZPBKNXZFIFE-UHFFFAOYSA-N	0	3	303.406	2.653	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccccc1OC	ZINC000662080258	430952379	/nfs/dbraw/zinc/95/23/79/430952379.db2.gz	JRSDREPSBBGEME-BHYGNILZSA-N	0	3	314.429	2.883	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000662081888	430952713	/nfs/dbraw/zinc/95/27/13/430952713.db2.gz	SQTJAADYCLSTJL-FGTMMUONSA-N	0	3	315.413	2.812	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000655550666	431045512	/nfs/dbraw/zinc/04/55/12/431045512.db2.gz	ROGMQTHNIKEHBW-GOSISDBHSA-N	0	3	313.445	2.878	20	30		DFEDHN
C=CCCNC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC	ZINC000665945051	431072927	/nfs/dbraw/zinc/07/29/27/431072927.db2.gz	BKXWOYUHLJBXLR-QGZVFWFLSA-N	0	3	316.449	2.654	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1	ZINC000649375285	431079596	/nfs/dbraw/zinc/07/95/96/431079596.db2.gz	CBKPTCSKNWABKM-INIZCTEOSA-N	0	3	312.417	2.588	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC2(C[C@H]1C)CCOCC2	ZINC000646100796	431184181	/nfs/dbraw/zinc/18/41/81/431184181.db2.gz	OWMAUYOEANSNQO-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCC1(CNC(=O)NCCN2CCC(OC)CC2)CCCC1	ZINC000656210397	431311858	/nfs/dbraw/zinc/31/18/58/431311858.db2.gz	YIYFGYSSGLQAFY-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CCCNC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000660386352	431407978	/nfs/dbraw/zinc/40/79/78/431407978.db2.gz	ZEHCTBSXUWHOTM-UHFFFAOYSA-N	0	3	301.434	2.835	20	30		DFEDHN
C=CCOc1cccc(CN[C@H](C(=O)N2CCCC2)C(C)C)c1	ZINC000647242624	431525273	/nfs/dbraw/zinc/52/52/73/431525273.db2.gz	GLRMROHMNGMSHJ-SFHVURJKSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCCn1cc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)nn1	ZINC000653747818	431511502	/nfs/dbraw/zinc/51/15/02/431511502.db2.gz	MCLBPNHWYYAQOB-SJORKVTESA-N	0	3	316.449	2.635	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1CCOC	ZINC000660700915	431555911	/nfs/dbraw/zinc/55/59/11/431555911.db2.gz	NPTCBZVQWXYDRD-BRWVUGGUSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000660703470	431557752	/nfs/dbraw/zinc/55/77/52/431557752.db2.gz	UDYZIMAKRYIWKY-BRWVUGGUSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](OC)C2CCCCC2)CC1	ZINC000660704329	431558106	/nfs/dbraw/zinc/55/81/06/431558106.db2.gz	MBSGVHGTJNXVKL-QGZVFWFLSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000660667538	431542939	/nfs/dbraw/zinc/54/29/39/431542939.db2.gz	MHFMESGCFVWZFJ-AWEZNQCLSA-N	0	3	310.388	2.804	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000660887508	431644178	/nfs/dbraw/zinc/64/41/78/431644178.db2.gz	KNTCZPXHYAYRQB-FSDCSDTHSA-N	0	3	305.466	2.903	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)nn1	ZINC000657438497	431753965	/nfs/dbraw/zinc/75/39/65/431753965.db2.gz	MPEXIGVORQDFCE-MAUKXSAKSA-N	0	3	313.449	2.635	20	30		DFEDHN
C=CCN(Cc1cc2ccccc2n(C)c1=O)[C@@H](C)COC	ZINC000661240665	431789431	/nfs/dbraw/zinc/78/94/31/431789431.db2.gz	PSGTXGZHFPMFMV-AWEZNQCLSA-N	0	3	300.402	2.561	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc(OC)cc1)[C@H](C)COC	ZINC000661240634	431789998	/nfs/dbraw/zinc/78/99/98/431789998.db2.gz	PIMZQWDFKXNAPY-CQSZACIVSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CCN(CCc1nc(-c2ccccc2)no1)[C@@H](C)COC	ZINC000661243804	431792188	/nfs/dbraw/zinc/79/21/88/431792188.db2.gz	NQZYQODTBRMLCA-AWEZNQCLSA-N	0	3	301.390	2.802	20	30		DFEDHN
C=CCN(CCCOc1ccc2c(c1)OCO2)[C@@H](C)COC	ZINC000661243974	431793179	/nfs/dbraw/zinc/79/31/79/431793179.db2.gz	ORJJSNPMJWWJSX-AWEZNQCLSA-N	0	3	307.390	2.707	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccccc1Cl)[C@@H](C)COC	ZINC000661248133	431795614	/nfs/dbraw/zinc/79/56/14/431795614.db2.gz	SCWUBFUFHOIBJJ-KBPBESRZSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cnc2ccnn2c1)C(C)C	ZINC000648016047	431781288	/nfs/dbraw/zinc/78/12/88/431781288.db2.gz	YVDBOHUUOSRVAK-QGZVFWFLSA-N	0	3	313.449	2.518	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1	ZINC000661377533	431836737	/nfs/dbraw/zinc/83/67/37/431836737.db2.gz	PECXTZDMXYLEPS-AWEZNQCLSA-N	0	3	304.459	2.921	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2cccc(OC)c2)C1	ZINC000661376424	431836933	/nfs/dbraw/zinc/83/69/33/431836933.db2.gz	BWKCLFYVUHZHKQ-OAHLLOKOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2OC)C1	ZINC000661379051	431837717	/nfs/dbraw/zinc/83/77/17/431837717.db2.gz	RKUZZFIYAHJGIH-INIZCTEOSA-N	0	3	316.445	2.942	20	30		DFEDHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000153978879	281190403	/nfs/dbraw/zinc/19/04/03/281190403.db2.gz	JDNYWRLVGHDLGG-QWHCGFSZSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C#N)c(Cl)c1	ZINC000157884380	295354998	/nfs/dbraw/zinc/35/49/98/295354998.db2.gz	QFDVHVNCECANDG-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)o1	ZINC000371800183	295471245	/nfs/dbraw/zinc/47/12/45/295471245.db2.gz	ZNSPZDYJTSYQEQ-OAHLLOKOSA-N	0	3	306.369	2.782	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N(c3ccccc3)C1)CC2	ZINC000516896120	300367044	/nfs/dbraw/zinc/36/70/44/300367044.db2.gz	AWYPXRLTHMXREU-QFBILLFUSA-N	0	3	317.392	2.941	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)c(F)c1	ZINC000538613602	301325189	/nfs/dbraw/zinc/32/51/89/301325189.db2.gz	BPTGSYLBDFRIQM-LBPRGKRZSA-N	0	3	312.348	2.772	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000540887185	301372486	/nfs/dbraw/zinc/37/24/86/301372486.db2.gz	ZGXDEBXGHSKEMK-GFCCVEGCSA-N	0	3	305.809	2.816	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)cc1F	ZINC000540976456	301380047	/nfs/dbraw/zinc/38/00/47/301380047.db2.gz	FFZKCRDODKBHIB-CMPLNLGQSA-N	0	3	315.314	2.985	20	30		DFEDHN
C[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)cc1F	ZINC000541904807	301403883	/nfs/dbraw/zinc/40/38/83/301403883.db2.gz	PATHWMSCPSKBLP-JSGCOSHPSA-N	0	3	302.349	2.792	20	30		DFEDHN
CCc1ccc(CCN2CCN(c3cccc(C#N)n3)CC2)cc1	ZINC000546921586	301515764	/nfs/dbraw/zinc/51/57/64/301515764.db2.gz	PMDIAHDVMPTQGC-UHFFFAOYSA-N	0	3	320.440	2.880	20	30		DFEDHN
COc1ccc([C@@H](CNc2ccncc2C#N)N2CCCC2)cc1	ZINC000548479757	301593855	/nfs/dbraw/zinc/59/38/55/301593855.db2.gz	FECUEBMFSOPEFW-LJQANCHMSA-N	0	3	322.412	2.633	20	30		DFEDHN
N#Cc1cccnc1OC1CCC(N[C@H]2CCn3ccnc32)CC1	ZINC000560355618	301891200	/nfs/dbraw/zinc/89/12/00/301891200.db2.gz	GVQSIRYQDNDMOX-GPANFISMSA-N	0	3	323.400	2.574	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@@H](c3ccccc3)C3CC3)cnc12	ZINC000561043655	301920617	/nfs/dbraw/zinc/92/06/17/301920617.db2.gz	QBFJEEQGSQQHMO-KRWDZBQOSA-N	0	3	303.369	2.842	20	30		DFEDHN
C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccc(C#N)cc1	ZINC000562978633	302020489	/nfs/dbraw/zinc/02/04/89/302020489.db2.gz	XZKKZJUFPOZVIZ-AWEZNQCLSA-N	0	3	311.429	3.000	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H]3[C@H]3CCCOC3)n2c1	ZINC000563151546	302041934	/nfs/dbraw/zinc/04/19/34/302041934.db2.gz	YCLGFCKBPYIKCQ-RDJZCZTQSA-N	0	3	310.401	2.597	20	30		DFEDHN
CCS[C@H]1CCCC[C@@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000564986251	302179503	/nfs/dbraw/zinc/17/95/03/302179503.db2.gz	PIQGEHLNPBAIAU-GJZGRUSLSA-N	0	3	315.446	2.755	20	30		DFEDHN
N#Cc1ccc(CNC2(Cc3ccccc3)CCOCC2)nc1	ZINC000566745596	302309076	/nfs/dbraw/zinc/30/90/76/302309076.db2.gz	CYMFTWUGLYTAPD-UHFFFAOYSA-N	0	3	307.397	2.835	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2	ZINC000567654151	302376276	/nfs/dbraw/zinc/37/62/76/302376276.db2.gz	WLWWZVNRNBUPIE-DOTOQJQBSA-N	0	3	321.428	2.865	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)[nH]c1C	ZINC000573457605	302706056	/nfs/dbraw/zinc/70/60/56/302706056.db2.gz	XUJUQPKVMRSHEK-UHFFFAOYSA-N	0	3	311.389	2.865	20	30		DFEDHN
C[C@H](NC(=O)Nc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C	ZINC000573562786	302710243	/nfs/dbraw/zinc/71/02/43/302710243.db2.gz	ZBGWKMCPCMUNOH-GUYCJALGSA-N	0	3	323.400	2.766	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000181411860	316058698	/nfs/dbraw/zinc/05/86/98/316058698.db2.gz	HTWLYKNWFOQBJP-MAUKXSAKSA-N	0	3	301.434	2.566	20	30		DFEDHN
C[C@@H](NCCC(=O)NCc1ccccc1)c1cccc(C#N)c1	ZINC000181635055	316066118	/nfs/dbraw/zinc/06/61/18/316066118.db2.gz	ANPXPLHIWXZUEJ-OAHLLOKOSA-N	0	3	307.397	2.915	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320213261	316252465	/nfs/dbraw/zinc/25/24/65/316252465.db2.gz	SBRHMIQOBWLEHE-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H](c2ccccc2)C1	ZINC000324447995	316261436	/nfs/dbraw/zinc/26/14/36/316261436.db2.gz	UWZWFDYFOXTWPU-RBUKOAKNSA-N	0	3	322.408	2.787	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H](c2ccccc2)C1	ZINC000324447997	316261544	/nfs/dbraw/zinc/26/15/44/316261544.db2.gz	UWZWFDYFOXTWPU-RTBURBONSA-N	0	3	322.408	2.787	20	30		DFEDHN
CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000574760721	318038964	/nfs/dbraw/zinc/03/89/64/318038964.db2.gz	YOPDOCCVMQELGH-INIZCTEOSA-N	0	3	303.362	2.593	20	30		DFEDHN
CC1(C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21	ZINC000575049405	318059366	/nfs/dbraw/zinc/05/93/66/318059366.db2.gz	AOAIUOCEFPXSCG-FVQBIDKESA-N	0	3	315.373	2.760	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@@H](c2cccnc2)C1	ZINC000575284481	318072611	/nfs/dbraw/zinc/07/26/11/318072611.db2.gz	PTAPDMNABMMGHB-QGZVFWFLSA-N	0	3	320.396	2.771	20	30		DFEDHN
CC[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000577027962	318166372	/nfs/dbraw/zinc/16/63/72/318166372.db2.gz	MWTHQLIELAFJRC-IKGGRYGDSA-N	0	3	320.458	2.955	20	30		DFEDHN
Cc1cc(C#N)nc(N(CCN2CCCCCC2)C2CCC2)n1	ZINC000577926550	318226177	/nfs/dbraw/zinc/22/61/77/318226177.db2.gz	VUMIQLJFMZTEBP-UHFFFAOYSA-N	0	3	313.449	2.892	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O	ZINC000578326694	318253585	/nfs/dbraw/zinc/25/35/85/318253585.db2.gz	BPWXPINPTZTXCQ-MSOLQXFVSA-N	0	3	302.418	2.558	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CCCN(C)C1	ZINC000579466213	318332066	/nfs/dbraw/zinc/33/20/66/318332066.db2.gz	ZPZHLWWVBDLZRV-ZBFHGGJFSA-N	0	3	314.433	2.602	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCCN(C)C1	ZINC000579466210	318332087	/nfs/dbraw/zinc/33/20/87/318332087.db2.gz	ZPZHLWWVBDLZRV-GDBMZVCRSA-N	0	3	314.433	2.602	20	30		DFEDHN
CC(C)(CNCCS(=O)(=O)c1cccc(C#N)c1)C1CCC1	ZINC000384838458	323308535	/nfs/dbraw/zinc/30/85/35/323308535.db2.gz	HQQVYELUZLBNAZ-UHFFFAOYSA-N	0	3	320.458	2.748	20	30		DFEDHN
CC1(C)CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000387475306	323324118	/nfs/dbraw/zinc/32/41/18/323324118.db2.gz	GEILZMKIBXXTFJ-OAHLLOKOSA-N	0	3	320.458	2.890	20	30		DFEDHN
Cc1cc(C#N)ccc1-c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000580385300	323376161	/nfs/dbraw/zinc/37/61/61/323376161.db2.gz	GFDPOSUMULWQMF-GASCZTMLSA-N	0	3	321.384	2.772	20	30		DFEDHN
CCc1cccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c1	ZINC000582959650	323768346	/nfs/dbraw/zinc/76/83/46/323768346.db2.gz	IAXYQNIGXJJCCL-AWEZNQCLSA-N	0	3	316.426	2.712	20	30		DFEDHN
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000180682700	331576226	/nfs/dbraw/zinc/57/62/26/331576226.db2.gz	BHUMLODDTVGUOA-UHFFFAOYSA-N	0	3	317.433	2.501	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000188305892	331594626	/nfs/dbraw/zinc/59/46/26/331594626.db2.gz	YTTCHHRBTTXFTP-SFHVURJKSA-N	0	3	320.433	2.794	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1	ZINC000580070104	332925783	/nfs/dbraw/zinc/92/57/83/332925783.db2.gz	PJSBNBOXMZGZTR-SCRDCRAPSA-N	0	3	317.355	2.506	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000410544585	332150220	/nfs/dbraw/zinc/15/02/20/332150220.db2.gz	IXERVSWYAZYVPH-IIHSZXCVSA-N	0	3	311.429	2.563	20	30		DFEDHN
CC(C)(C)C(=O)NCCNCc1cccc(OCCCC#N)c1	ZINC000236792568	332202610	/nfs/dbraw/zinc/20/26/10/332202610.db2.gz	MINHDOLKCOCLIJ-UHFFFAOYSA-N	0	3	317.433	2.621	20	30		DFEDHN
CCOC(=O)c1c(NC(=O)C(C)C#N)sc2c1CCCC2	ZINC000044822691	332292938	/nfs/dbraw/zinc/29/29/38/332292938.db2.gz	LYAKAXLBVZPOCM-VIFPVBQESA-N	0	3	306.387	2.902	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000116309417	332309812	/nfs/dbraw/zinc/30/98/12/332309812.db2.gz	LVLTVCGDOJTRDM-MRXNPFEDSA-N	0	3	318.465	2.791	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cnc2ccc(Br)cn12	ZINC000449520116	332347721	/nfs/dbraw/zinc/34/77/21/332347721.db2.gz	OFTAYRUUEHQRRK-OLZOCXBDSA-N	0	3	322.206	2.530	20	30		DFEDHN
N#CC1(CCN2CCC[C@@H](N3CCCC3=O)C2)CCCCC1	ZINC000560701096	332379114	/nfs/dbraw/zinc/37/91/14/332379114.db2.gz	MRJIKIVBJQSUAI-MRXNPFEDSA-N	0	3	303.450	2.937	20	30		DFEDHN
C=C(C)CN(CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293362663	335107769	/nfs/dbraw/zinc/10/77/69/335107769.db2.gz	FEUOJRUPZVCMLQ-KRWDZBQOSA-N	0	3	307.434	2.513	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OCCCC)C1(C)C	ZINC000561945609	332519512	/nfs/dbraw/zinc/51/95/12/332519512.db2.gz	WXUZUQUZAWYRFB-CVEARBPZSA-N	0	3	310.482	2.984	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCO[C@H]2C)cc1OCCCC#N	ZINC000131961607	332563361	/nfs/dbraw/zinc/56/33/61/332563361.db2.gz	IPYWWSCFEUPSKA-DZGCQCFKSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=CCN(C)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000427953927	332571656	/nfs/dbraw/zinc/57/16/56/332571656.db2.gz	GNDIEPBTRGVKTM-INIZCTEOSA-N	0	3	300.446	2.974	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(CCC)nc3ncnn32)CC1	ZINC000106066281	332964426	/nfs/dbraw/zinc/96/44/26/332964426.db2.gz	RIOXFLSKHACWSN-UHFFFAOYSA-N	0	3	314.437	2.529	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](CCCC)c1ccc(OC)cc1	ZINC000293927513	335115648	/nfs/dbraw/zinc/11/56/48/335115648.db2.gz	YLZRTXHDFPQBSR-KRWDZBQOSA-N	0	3	302.418	2.656	20	30		DFEDHN
C#C[C@H](C)N(C)CCC(=O)Nc1ccccc1Br	ZINC000491340716	333024773	/nfs/dbraw/zinc/02/47/73/333024773.db2.gz	ZQPLJJZTSSUCOF-NSHDSACASA-N	0	3	309.207	2.731	20	30		DFEDHN
N=C(NCc1ccc(OC2CCCC2)nc1)Nc1ccccn1	ZINC000170911641	333042267	/nfs/dbraw/zinc/04/22/67/333042267.db2.gz	AAXCPJBSKRKGOD-UHFFFAOYSA-N	0	3	311.389	2.725	20	30		DFEDHN
CN(CCCNC(=O)NCCCCC#N)Cc1ccccc1	ZINC000171731251	333053320	/nfs/dbraw/zinc/05/33/20/333053320.db2.gz	MJPSLCPLCCTVDF-UHFFFAOYSA-N	0	3	302.422	2.502	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000177309298	333126960	/nfs/dbraw/zinc/12/69/60/333126960.db2.gz	KQHPLBVGHJRXAZ-SCTDSRPQSA-N	0	3	323.440	2.699	20	30		DFEDHN
C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000177555766	333130289	/nfs/dbraw/zinc/13/02/89/333130289.db2.gz	NBWRWJWBIGMDSJ-FUHWJXTLSA-N	0	3	324.428	2.520	20	30		DFEDHN
COC[C@@H](C)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000179366652	333149715	/nfs/dbraw/zinc/14/97/15/333149715.db2.gz	XCCQDLLWTUHDLT-OAHLLOKOSA-N	0	3	312.417	2.930	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180374668	333161427	/nfs/dbraw/zinc/16/14/27/333161427.db2.gz	KFKKDILZXSCSLF-KRWDZBQOSA-N	0	3	311.429	2.846	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180416062	333161578	/nfs/dbraw/zinc/16/15/78/333161578.db2.gz	DFBHRWJCENXRHR-OAHLLOKOSA-N	0	3	311.429	2.656	20	30		DFEDHN
CC(C)CNC(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000180514576	333162643	/nfs/dbraw/zinc/16/26/43/333162643.db2.gz	PVDGYFRANAIWMD-JTQLQIEISA-N	0	3	306.316	2.811	20	30		DFEDHN
COC[C@@H](Cc1ccccc1)NCc1ccc(OCC#N)cc1	ZINC000180555625	333163106	/nfs/dbraw/zinc/16/31/06/333163106.db2.gz	AIWKSPOTLZYROC-GOSISDBHSA-N	0	3	310.397	2.936	20	30		DFEDHN
CC(C)OCCON=C(N)c1ccccc1CN1CCCCC1	ZINC000181607915	333170712	/nfs/dbraw/zinc/17/07/12/333170712.db2.gz	XGNVDPFCFRLHFR-UHFFFAOYSA-N	0	3	319.449	2.734	20	30		DFEDHN
CCN1CCN(c2ccc(F)cc2[C@@H](C)NCCCC#N)CC1	ZINC000181642912	333170943	/nfs/dbraw/zinc/17/09/43/333170943.db2.gz	NAFMKCQVMUZBQL-OAHLLOKOSA-N	0	3	318.440	2.922	20	30		DFEDHN
C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(OCC#N)cc1	ZINC000183897797	333189218	/nfs/dbraw/zinc/18/92/18/333189218.db2.gz	WGRLAZPFLRVZCJ-CYBMUJFWSA-N	0	3	304.390	2.799	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000185786683	333213957	/nfs/dbraw/zinc/21/39/57/333213957.db2.gz	STJPTFHIQFDIND-GOEBONIOSA-N	0	3	317.408	2.834	20	30		DFEDHN
COc1cc(OC)c(OC)cc1CN[C@@H]1CCC[C@H](C#N)C1	ZINC000185812705	333214516	/nfs/dbraw/zinc/21/45/16/333214516.db2.gz	RTQZTGRWUINLTR-GXTWGEPZSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@H](O)[C@H]2C)ccc1OC	ZINC000294727026	335128911	/nfs/dbraw/zinc/12/89/11/335128911.db2.gz	DAHMPVRJIKGMRZ-GDBMZVCRSA-N	0	3	305.418	2.995	20	30		DFEDHN
COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)cc(OC)c1OC	ZINC000192616408	333290708	/nfs/dbraw/zinc/29/07/08/333290708.db2.gz	HMDRDMHFOPLLKI-GXTWGEPZSA-N	0	3	304.390	2.884	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1C[C@@H](C)S[C@@H](C)C1	ZINC000525785873	333311385	/nfs/dbraw/zinc/31/13/85/333311385.db2.gz	HGIOYFPTNBMOOW-UXLLHSPISA-N	0	3	321.486	2.981	20	30		DFEDHN
O=C1Nc2ccccc2[C@@]12CCN(CC#Cc1ccccc1)C2	ZINC000364590044	333325161	/nfs/dbraw/zinc/32/51/61/333325161.db2.gz	PKFVDAIPHLALLI-FQEVSTJZSA-N	0	3	302.377	2.634	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1)C1CCCC1	ZINC000109800785	333326393	/nfs/dbraw/zinc/32/63/93/333326393.db2.gz	YARZRLKKZWKUGK-QGZVFWFLSA-N	0	3	315.417	2.519	20	30		DFEDHN
C=CCCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000364676653	333326416	/nfs/dbraw/zinc/32/64/16/333326416.db2.gz	WGRVUYDGULFCIL-WMZOPIPTSA-N	0	3	301.434	2.889	20	30		DFEDHN
C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000119340284	333343323	/nfs/dbraw/zinc/34/33/23/333343323.db2.gz	UVRANXMESACQTA-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1	ZINC000296018554	335139675	/nfs/dbraw/zinc/13/96/75/335139675.db2.gz	YXQICBYYWXIGMO-WBVHZDCISA-N	0	3	314.429	2.643	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCC2	ZINC000296265773	335142759	/nfs/dbraw/zinc/14/27/59/335142759.db2.gz	OHHHSCRZKCWAMM-JYJNAYRXSA-N	0	3	306.450	2.513	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2c(F)cccc2F)CC1	ZINC000296570565	335146214	/nfs/dbraw/zinc/14/62/14/335146214.db2.gz	XSAQIPCJBBHDLY-UHFFFAOYSA-N	0	3	323.387	2.757	20	30		DFEDHN
CC#CCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000185919777	335154928	/nfs/dbraw/zinc/15/49/28/335154928.db2.gz	SPAAGOVFXCXPLF-INIZCTEOSA-N	0	3	313.445	2.917	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)c(F)c1	ZINC000185834438	335154057	/nfs/dbraw/zinc/15/40/57/335154057.db2.gz	DDNQXXUODFIPIL-CZUORRHYSA-N	0	3	323.387	2.928	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(C(C)(C)C)c2O)CC1	ZINC000185830481	335154143	/nfs/dbraw/zinc/15/41/43/335154143.db2.gz	QMBAHDIYWVKKPR-UHFFFAOYSA-N	0	3	314.429	2.973	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccccc1N)C(C)C	ZINC000571280887	333694830	/nfs/dbraw/zinc/69/48/30/333694830.db2.gz	XQIHPSZDFIJXLG-GOSISDBHSA-N	0	3	315.461	2.626	20	30		DFEDHN
C=CCCCC(=O)Nc1ccc(OCCN(C)C)cc1OC	ZINC000412567042	333764434	/nfs/dbraw/zinc/76/44/34/333764434.db2.gz	WNVONTVZTPRRCR-UHFFFAOYSA-N	0	3	306.406	2.930	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCCCCC#N)C(C)C	ZINC000264038230	333950379	/nfs/dbraw/zinc/95/03/79/333950379.db2.gz	FOGWQNBZIUTICN-INIZCTEOSA-N	0	3	306.454	2.678	20	30		DFEDHN
N#CCCn1cc(CN2CCC(CO)CC2)c(-c2ccccc2)n1	ZINC000271019966	334017426	/nfs/dbraw/zinc/01/74/26/334017426.db2.gz	ASUCGEQPXHUUTC-UHFFFAOYSA-N	0	3	324.428	2.668	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)c(C)c1	ZINC000271846239	334027757	/nfs/dbraw/zinc/02/77/57/334027757.db2.gz	ZDMDHQJYGCJZBW-BBRMVZONSA-N	0	3	301.434	2.962	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc2)CC1	ZINC000271952758	334028957	/nfs/dbraw/zinc/02/89/57/334028957.db2.gz	DYNOPYOCFHNEDJ-SFHVURJKSA-N	0	3	323.440	2.942	20	30		DFEDHN
CC1(C#N)CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000272561963	334037297	/nfs/dbraw/zinc/03/72/97/334037297.db2.gz	LTXTVZFSPQJASZ-INIZCTEOSA-N	0	3	322.836	2.843	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C1=CCN(C)CC1	ZINC000272675025	334038906	/nfs/dbraw/zinc/03/89/06/334038906.db2.gz	JSVKGSLKJFNDRU-CQSZACIVSA-N	0	3	309.413	2.622	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)NCCCC#N)CC1	ZINC000273134954	334043747	/nfs/dbraw/zinc/04/37/47/334043747.db2.gz	JFRAKRYUCAZHEF-UHFFFAOYSA-N	0	3	314.433	2.562	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)NCCCC#N)c1ccccc1	ZINC000273206395	334044185	/nfs/dbraw/zinc/04/41/85/334044185.db2.gz	JGZRACOSKSMAGZ-AWEZNQCLSA-N	0	3	302.422	2.719	20	30		DFEDHN
CC[C@H](C(=O)Nc1ncccc1OCCCC#N)N(CC)CC	ZINC000274032539	334054284	/nfs/dbraw/zinc/05/42/84/334054284.db2.gz	CWNJWGNJZAKBPY-CQSZACIVSA-N	0	3	318.421	2.823	20	30		DFEDHN
N#CCOc1ccc(CN2CCSC3(CCOCC3)C2)cc1	ZINC000274521675	334062364	/nfs/dbraw/zinc/06/23/64/334062364.db2.gz	YPZVDTPXVWPPIX-UHFFFAOYSA-N	0	3	318.442	2.687	20	30		DFEDHN
N#CCc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1	ZINC000343530639	335175328	/nfs/dbraw/zinc/17/53/28/335175328.db2.gz	CSPKTGMODLTSQS-SFHVURJKSA-N	0	3	300.402	2.523	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000276322634	334075702	/nfs/dbraw/zinc/07/57/02/334075702.db2.gz	PFGGXIDPSDDRDF-CQSZACIVSA-N	0	3	300.406	2.965	20	30		DFEDHN
C[C@@H](CCC#N)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000276357375	334076151	/nfs/dbraw/zinc/07/61/51/334076151.db2.gz	XRAAXWNWQVATFB-LSDHHAIUSA-N	0	3	307.463	2.745	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1	ZINC000276977009	334085826	/nfs/dbraw/zinc/08/58/26/334085826.db2.gz	DPYGPUILRMGPHJ-UHFFFAOYSA-N	0	3	322.412	2.695	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000278864976	334102480	/nfs/dbraw/zinc/10/24/80/334102480.db2.gz	WPBNBJZEQCVKSO-HOCLYGCPSA-N	0	3	315.417	2.811	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC(C)(C)C#N	ZINC000279070783	334105173	/nfs/dbraw/zinc/10/51/73/334105173.db2.gz	UBYLPHXGONSHLI-NVXWUHKLSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC(C)(C)SCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280174040	334114730	/nfs/dbraw/zinc/11/47/30/334114730.db2.gz	SQCKCHPAWKHEBA-OAHLLOKOSA-N	0	3	315.442	2.888	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280253216	334115846	/nfs/dbraw/zinc/11/58/46/334115846.db2.gz	UKWZGMHFEQSDNX-RHSMWYFYSA-N	0	3	313.445	2.900	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000353447378	334120725	/nfs/dbraw/zinc/12/07/25/334120725.db2.gz	KETOSMOYWCXPBB-LJQANCHMSA-N	0	3	321.509	2.606	20	30		DFEDHN
N#CC1(CCCN2CCN(c3cccs3)CC2)CCOCC1	ZINC000282076612	334131164	/nfs/dbraw/zinc/13/11/64/334131164.db2.gz	UAGNZVBLCQVWBC-UHFFFAOYSA-N	0	3	319.474	2.971	20	30		DFEDHN
N#CCOc1ccc(CN2CCC3(CCOCC3)CC2)cc1	ZINC000284802334	334144431	/nfs/dbraw/zinc/14/44/31/334144431.db2.gz	POROWYJQFCFYLO-UHFFFAOYSA-N	0	3	300.402	2.982	20	30		DFEDHN
Cn1nccc1C1=CCN(CCCC2(C#N)CCOCC2)CC1	ZINC000285539953	334148584	/nfs/dbraw/zinc/14/85/84/334148584.db2.gz	IAPCHFIAXNZVPM-UHFFFAOYSA-N	0	3	314.433	2.610	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000285625368	334148985	/nfs/dbraw/zinc/14/89/85/334148985.db2.gz	CRQOJEZSIXAESG-YJBOKZPZSA-N	0	3	323.440	2.941	20	30		DFEDHN
C[C@H](NC(=O)N1CCC(C#N)CC1)[C@@H](c1ccccc1)N(C)C	ZINC000287714179	334158439	/nfs/dbraw/zinc/15/84/39/334158439.db2.gz	ASGGEBFZWAMVJC-YOEHRIQHSA-N	0	3	314.433	2.623	20	30		DFEDHN
CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1	ZINC000289659041	334167069	/nfs/dbraw/zinc/16/70/69/334167069.db2.gz	NDCRDGPHFNPONZ-MRXNPFEDSA-N	0	3	300.450	2.562	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)Cc1ccc(F)cc1Br	ZINC000289738747	334167440	/nfs/dbraw/zinc/16/74/40/334167440.db2.gz	GRRYHEBHWNJPCH-BXKDBHETSA-N	0	3	302.187	2.656	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000343593972	335180237	/nfs/dbraw/zinc/18/02/37/335180237.db2.gz	GTXCLRRCYQIQJB-QZTJIDSGSA-N	0	3	313.445	2.750	20	30		DFEDHN
COc1ccc([C@@H](CNC(=O)CCCC#N)N2CCCC2)cc1	ZINC000291015954	334175675	/nfs/dbraw/zinc/17/56/75/334175675.db2.gz	VOSFOZKPSPXKKL-QGZVFWFLSA-N	0	3	315.417	2.642	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)CCCC#N	ZINC000291838389	334182305	/nfs/dbraw/zinc/18/23/05/334182305.db2.gz	BMVHZQLZSZYMIZ-UHFFFAOYSA-N	0	3	301.434	2.703	20	30		DFEDHN
N#CCCOCCN(Cc1ccccc1)C[C@H](O)c1ccco1	ZINC000292731249	334191347	/nfs/dbraw/zinc/19/13/47/334191347.db2.gz	GPPDQYPCBTYARY-KRWDZBQOSA-N	0	3	314.385	2.745	20	30		DFEDHN
COc1ccccc1CC1CCN(CCOCCC#N)CC1	ZINC000292973411	334194807	/nfs/dbraw/zinc/19/48/07/334194807.db2.gz	DQSWSMRKZNZCFT-UHFFFAOYSA-N	0	3	302.418	2.880	20	30		DFEDHN
N#CCCOCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000293696043	334201124	/nfs/dbraw/zinc/20/11/24/334201124.db2.gz	WTIBDAYPOLOVDX-CQSZACIVSA-N	0	3	317.216	2.937	20	30		DFEDHN
N#CCCOCCN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	ZINC000293828006	334202648	/nfs/dbraw/zinc/20/26/48/334202648.db2.gz	PNJXQFUHTOUVJH-IRXDYDNUSA-N	0	3	306.381	2.644	20	30		DFEDHN
N#CCCOCCNC1(c2ccc(Br)cc2)CC1	ZINC000293859731	334202763	/nfs/dbraw/zinc/20/27/63/334202763.db2.gz	RTZBWHNCDNUJMW-UHFFFAOYSA-N	0	3	309.207	2.958	20	30		DFEDHN
CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)N(CC)CC	ZINC000294010136	334204504	/nfs/dbraw/zinc/20/45/04/334204504.db2.gz	YCGAMTZVOUGQQJ-FGTMMUONSA-N	0	3	313.445	2.873	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)[C@@H]1CC[C@H](C#N)C1	ZINC000294171869	334206500	/nfs/dbraw/zinc/20/65/00/334206500.db2.gz	PZBNXHHOBUZTMH-NQYYFHDYSA-N	0	3	313.445	2.682	20	30		DFEDHN
C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CC[C@@H](CC#N)C1	ZINC000294931683	334214294	/nfs/dbraw/zinc/21/42/94/334214294.db2.gz	BOMYPPIOWVDOHD-KKUMJFAQSA-N	0	3	306.431	2.521	20	30		DFEDHN
C[C@@H](N[C@@H](C)CCC#N)c1ccc(N2CCCNC2=O)cc1	ZINC000298363120	334247952	/nfs/dbraw/zinc/24/79/52/334247952.db2.gz	NDONDMBVISGPKQ-UONOGXRCSA-N	0	3	300.406	2.949	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000298632308	334250216	/nfs/dbraw/zinc/25/02/16/334250216.db2.gz	OUCIPOJBUYCYBD-ZDUSSCGKSA-N	0	3	301.390	2.735	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000298786662	334251472	/nfs/dbraw/zinc/25/14/72/334251472.db2.gz	YEAHJSIOZUJTNK-CQSZACIVSA-N	0	3	317.408	2.846	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CNCCC2(F)F)cc1Cl	ZINC000415008823	334251813	/nfs/dbraw/zinc/25/18/13/334251813.db2.gz	WPILJUBIOFRCIZ-AWEZNQCLSA-N	0	3	316.779	2.992	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CNCCC2(F)F)cc1Cl	ZINC000415008826	334251817	/nfs/dbraw/zinc/25/18/17/334251817.db2.gz	WPILJUBIOFRCIZ-CQSZACIVSA-N	0	3	316.779	2.992	20	30		DFEDHN
C[C@H]1CCC[C@](C/N=C/c2ccc(O)c([O-])c2O)([NH+](C)C)C1	ZINC000299011783	334252191	/nfs/dbraw/zinc/25/21/91/334252191.db2.gz	DAAUUSMUGXTCCU-BXZUDYATSA-N	0	3	306.406	2.733	20	30		DFEDHN
C[C@H](C(=O)Nc1cccc(OCC#N)c1)N1[C@H](C)CC[C@@H]1C	ZINC000299660973	334257191	/nfs/dbraw/zinc/25/71/91/334257191.db2.gz	QHXAYVCIQRMINX-HZSPNIEDSA-N	0	3	301.390	2.789	20	30		DFEDHN
C#CCCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000119750264	334284889	/nfs/dbraw/zinc/28/48/89/334284889.db2.gz	GAXKAKXGNCDQPX-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1	ZINC000341602783	334460935	/nfs/dbraw/zinc/46/09/35/334460935.db2.gz	YCMSKMYMSXLSLG-HNNXBMFYSA-N	0	3	317.433	2.765	20	30		DFEDHN
C=CCN[C@@H](CC)c1ccccc1OCC(=O)N1CCCC1	ZINC000341654703	334469242	/nfs/dbraw/zinc/46/92/42/334469242.db2.gz	GCGNNOGRKBHGMK-INIZCTEOSA-N	0	3	302.418	2.915	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1cccs1)C1CC1	ZINC000342469247	334544398	/nfs/dbraw/zinc/54/43/98/334544398.db2.gz	FUDZBTPRGFWFPV-MLGOLLRUSA-N	0	3	305.447	2.797	20	30		DFEDHN
CC(C)N(C)C(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000342667955	334564990	/nfs/dbraw/zinc/56/49/90/334564990.db2.gz	ODDLQJGNEUMEIS-UHFFFAOYSA-N	0	3	313.445	2.831	20	30		DFEDHN
CCOC(=O)CC1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000342712389	334567964	/nfs/dbraw/zinc/56/79/64/334567964.db2.gz	RMDVVUMXRMFSBT-UHFFFAOYSA-N	0	3	300.402	2.918	20	30		DFEDHN
C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CNCCO1	ZINC000415587784	334615898	/nfs/dbraw/zinc/61/58/98/334615898.db2.gz	WWOGPQBHISHTFM-HNNXBMFYSA-N	0	3	317.433	2.648	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000328746389	334751232	/nfs/dbraw/zinc/75/12/32/334751232.db2.gz	OPKFLHTZSMNCDK-UHFFFAOYSA-N	0	3	319.405	2.524	20	30		DFEDHN
C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1nnc2n1CCCC2	ZINC000328751336	334751776	/nfs/dbraw/zinc/75/17/76/334751776.db2.gz	MZQRXEXYMPAKDM-LBPRGKRZSA-N	0	3	317.437	2.506	20	30		DFEDHN
CN1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000443926895	338463692	/nfs/dbraw/zinc/46/36/92/338463692.db2.gz	YBGWXYDSRUVTIF-UHFFFAOYSA-N	0	3	324.428	2.769	20	30		DFEDHN
CCC1(NC(=O)CC2(N3CCOCC3)CCCC2)CCOCC1	ZINC000328871752	334762672	/nfs/dbraw/zinc/76/26/72/334762672.db2.gz	DOBOGXHMCDXZDF-UHFFFAOYSA-N	0	3	324.465	2.937	20	30		DFEDHN
CCc1nn(C)cc1NC(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000330638495	334794479	/nfs/dbraw/zinc/79/44/79/334794479.db2.gz	CUTVRICQMLOEEU-UHFFFAOYSA-N	0	3	321.469	2.582	20	30		DFEDHN
CC(C)Cn1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cn1	ZINC000330693039	334800200	/nfs/dbraw/zinc/80/02/00/334800200.db2.gz	BYOYZGDBUDZCBY-AWEZNQCLSA-N	0	3	321.469	2.747	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@]1(N(C)C)CCSC1	ZINC000331279756	334848396	/nfs/dbraw/zinc/84/83/96/334848396.db2.gz	KGMFKFCJITXXRX-MRXNPFEDSA-N	0	3	318.446	2.630	20	30		DFEDHN
C=C(C)CN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000126949626	334864163	/nfs/dbraw/zinc/86/41/63/334864163.db2.gz	FZYDFAKBDISQGB-CQSZACIVSA-N	0	3	310.463	2.944	20	30		DFEDHN
Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(CCCC#N)C1	ZINC000343735653	335192765	/nfs/dbraw/zinc/19/27/65/335192765.db2.gz	KNBRHBUPRUPWIS-NSHDSACASA-N	0	3	300.328	2.922	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000343830333	335200115	/nfs/dbraw/zinc/20/01/15/335200115.db2.gz	MJOYBSZLNYOVDP-GOEBONIOSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C)(CC(C)C)CC1	ZINC000344021722	335209486	/nfs/dbraw/zinc/20/94/86/335209486.db2.gz	ZNEZGBCUXCROMY-AWEZNQCLSA-N	0	3	309.454	2.535	20	30		DFEDHN
Cc1noc([C@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)n1	ZINC000344011270	335212634	/nfs/dbraw/zinc/21/26/34/335212634.db2.gz	ITFWSHIOVBDKRZ-JKSUJKDBSA-N	0	3	324.384	2.814	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)C[C@H]1C[C@@H](OC)CN1C)c1ccccc1	ZINC000344522933	335255121	/nfs/dbraw/zinc/25/51/21/335255121.db2.gz	UAZSMIAHSFANTA-KBAYOESNSA-N	0	3	316.445	2.524	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)OCC	ZINC000344773734	335276654	/nfs/dbraw/zinc/27/66/54/335276654.db2.gz	LNNGDPJVHJOYLY-WBVHZDCISA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@@H](C)[C@H]1C	ZINC000345248211	335311930	/nfs/dbraw/zinc/31/19/30/335311930.db2.gz	SSBRWMPICBLYKO-HLLBOEOZSA-N	0	3	321.486	2.981	20	30		DFEDHN
C#CCCN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1	ZINC000366898056	335321010	/nfs/dbraw/zinc/32/10/10/335321010.db2.gz	YXXCOIYRIXHECQ-SFHVURJKSA-N	0	3	302.462	2.903	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(C(=O)NCc2ccccc2)CC1	ZINC000345718696	335345532	/nfs/dbraw/zinc/34/55/32/335345532.db2.gz	WMJLBMMNNZZSBZ-UHFFFAOYSA-N	0	3	313.445	2.955	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000345756446	335348441	/nfs/dbraw/zinc/34/84/41/335348441.db2.gz	SMEHRKPTUNFINW-GOEBONIOSA-N	0	3	305.422	2.502	20	30		DFEDHN
COc1cc(CNC(=O)C(C)C#N)ccc1OCCC(C)C	ZINC000345817000	335353299	/nfs/dbraw/zinc/35/32/99/335353299.db2.gz	OPMPOASUHQFOLI-ZDUSSCGKSA-N	0	3	304.390	2.896	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000345847520	335355454	/nfs/dbraw/zinc/35/54/54/335355454.db2.gz	BICMUARTVOVOJO-HNNXBMFYSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccc1C	ZINC000346183427	335378779	/nfs/dbraw/zinc/37/87/79/335378779.db2.gz	NGWJHQDECGIXOL-RDJZCZTQSA-N	0	3	302.418	2.976	20	30		DFEDHN
Cn1ncc2c1CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000346200535	335389574	/nfs/dbraw/zinc/38/95/74/335389574.db2.gz	RTZJDBQZDURGJB-DOTOQJQBSA-N	0	3	322.412	2.686	20	30		DFEDHN
C=CCOc1ccccc1CN1CCOCC2(CCOCC2)C1	ZINC000346248801	335394359	/nfs/dbraw/zinc/39/43/59/335394359.db2.gz	IFFIQTKRXGWMDV-UHFFFAOYSA-N	0	3	317.429	2.880	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)C(=O)NC1(C#N)CCC1	ZINC000346543291	335419834	/nfs/dbraw/zinc/41/98/34/335419834.db2.gz	NUNYZLQCDRTNAA-CABCVRRESA-N	0	3	313.445	2.893	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC(C)C)c1cccs1	ZINC000347621018	335511345	/nfs/dbraw/zinc/51/13/45/335511345.db2.gz	YTQLFQKYUAPQEZ-CHWSQXEVSA-N	0	3	323.462	2.825	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)CN(CC(C)C)C1=O)C(C)C	ZINC000348139556	335556394	/nfs/dbraw/zinc/55/63/94/335556394.db2.gz	DBBXGAQPQQLCEI-INIZCTEOSA-N	0	3	321.465	2.605	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@](C)(CCC)C1=O)C(C)C	ZINC000348143366	335556930	/nfs/dbraw/zinc/55/69/30/335556930.db2.gz	KLYKXOVIQFHALJ-YJBOKZPZSA-N	0	3	321.465	2.796	20	30		DFEDHN
C=CCOCCCN[C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000348164801	335559393	/nfs/dbraw/zinc/55/93/93/335559393.db2.gz	BPMXXSOJYBWQPP-INIZCTEOSA-N	0	3	301.390	2.844	20	30		DFEDHN
N#CCCCOc1cccc(CNCC[C@@H](O)C(F)(F)F)c1	ZINC000349298677	335661524	/nfs/dbraw/zinc/66/15/24/335661524.db2.gz	POEQJCQOQARBGV-CQSZACIVSA-N	0	3	316.323	2.772	20	30		DFEDHN
C[C@@H](C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCCCCC1	ZINC000329352072	335967281	/nfs/dbraw/zinc/96/72/81/335967281.db2.gz	ULQHQCKNGOFQNP-AWEZNQCLSA-N	0	3	321.465	2.608	20	30		DFEDHN
COCCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	ZINC000329622161	336014692	/nfs/dbraw/zinc/01/46/92/336014692.db2.gz	HCTFAXHUYJDMMW-YQQAZPJKSA-N	0	3	323.481	2.570	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC[C@H](c2ccccc2)C1	ZINC000329622193	336014868	/nfs/dbraw/zinc/01/48/68/336014868.db2.gz	RSFAVJNYNYNKLA-LSDHHAIUSA-N	0	3	310.401	2.671	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[C@H](c2ccccc2)C1	ZINC000329622193	336014870	/nfs/dbraw/zinc/01/48/70/336014870.db2.gz	RSFAVJNYNYNKLA-LSDHHAIUSA-N	0	3	310.401	2.671	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000351115201	336015154	/nfs/dbraw/zinc/01/51/54/336015154.db2.gz	LYHUCPHZKGVIPU-KGLIPLIRSA-N	0	3	315.421	2.643	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000351116207	336015335	/nfs/dbraw/zinc/01/53/35/336015335.db2.gz	NTZDFDKUOWTOMY-HUUCEWRRSA-N	0	3	305.470	2.726	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(C/C=C\c2ccccc2)CC1	ZINC000351543541	336042027	/nfs/dbraw/zinc/04/20/27/336042027.db2.gz	HUANHHIXOVWFLR-KWEPMOPPSA-N	0	3	300.446	2.645	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C	ZINC000351571993	336046151	/nfs/dbraw/zinc/04/61/51/336046151.db2.gz	BQTAMOGRLOUVRJ-HNNXBMFYSA-N	0	3	305.809	2.861	20	30		DFEDHN
C=CCC[C@H](O)CN(CCC)C[C@H]1COc2ccccc2O1	ZINC000351615615	336050561	/nfs/dbraw/zinc/05/05/61/336050561.db2.gz	NRYMAWYWHWBZFE-HOTGVXAUSA-N	0	3	305.418	2.866	20	30		DFEDHN
C[C@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCO1	ZINC000329690198	336051386	/nfs/dbraw/zinc/05/13/86/336051386.db2.gz	VYABAWDPNIWZEX-GXTWGEPZSA-N	0	3	320.389	2.593	20	30		DFEDHN
Cc1nnc(CNC(=O)[C@H]2CCCN2C2CCCC2)n1C1CC1	ZINC000329699476	336053038	/nfs/dbraw/zinc/05/30/38/336053038.db2.gz	ZCRKCCHEFDQVID-OAHLLOKOSA-N	0	3	317.437	2.785	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000351688583	336058411	/nfs/dbraw/zinc/05/84/11/336058411.db2.gz	XZJZYGAKEDUINY-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
CN(C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCc2ccccc21	ZINC000329751969	336078191	/nfs/dbraw/zinc/07/81/91/336078191.db2.gz	VZJSVIRUKNZQPW-CXAGYDPISA-N	0	3	310.401	2.800	20	30		DFEDHN
CN(C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCc2ccccc21	ZINC000329751969	336078192	/nfs/dbraw/zinc/07/81/92/336078192.db2.gz	VZJSVIRUKNZQPW-CXAGYDPISA-N	0	3	310.401	2.800	20	30		DFEDHN
Cn1c(CNC(=O)[C@@H]2CCCN2C2CCCC2)nnc1C1CC1	ZINC000329785502	336081606	/nfs/dbraw/zinc/08/16/06/336081606.db2.gz	PZYWJDOAHMDLEQ-AWEZNQCLSA-N	0	3	317.437	2.556	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(-c2ccncc2)on1	ZINC000329807417	336084555	/nfs/dbraw/zinc/08/45/55/336084555.db2.gz	ACILNWZCSLFSIR-IAQYHMDHSA-N	0	3	312.373	2.524	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000329822522	336086274	/nfs/dbraw/zinc/08/62/74/336086274.db2.gz	HIQFRJXHSUXQOQ-MRXNPFEDSA-N	0	3	315.417	2.878	20	30		DFEDHN
C[C@@H](NC(=O)CCc1cccc2c1OCO2)C1=CCN(C)CC1	ZINC000329993997	336103765	/nfs/dbraw/zinc/10/37/65/336103765.db2.gz	LVXGTZFNGIQENH-CYBMUJFWSA-N	0	3	316.401	2.955	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1C	ZINC000330127291	336116273	/nfs/dbraw/zinc/11/62/73/336116273.db2.gz	MTQROQVYNJWAFU-NOLJZWGESA-N	0	3	319.453	2.734	20	30		DFEDHN
Cc1nc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)sc1C	ZINC000330211667	336124746	/nfs/dbraw/zinc/12/47/46/336124746.db2.gz	DDSBTVJWCVOGEQ-BIMULSAOSA-N	0	3	309.435	2.894	20	30		DFEDHN
O=C(N[C@H]1CCN(C2CC2)C1)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330214206	336125093	/nfs/dbraw/zinc/12/50/93/336125093.db2.gz	GAGAZWURNQWIJF-CABCVRRESA-N	0	3	321.465	2.609	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000332252785	336165044	/nfs/dbraw/zinc/16/50/44/336165044.db2.gz	CNOVZVJBEBUFTA-ROUUACIJSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1	ZINC000332321206	336168413	/nfs/dbraw/zinc/16/84/13/336168413.db2.gz	QJTAJFBTJYUNSV-SUMWQHHRSA-N	0	3	315.392	2.712	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@H]2CCCCN2C2CC2)CC12CCCC2	ZINC000333404374	336203172	/nfs/dbraw/zinc/20/31/72/336203172.db2.gz	JDPVRQIGLKAMFF-QAPCUYQASA-N	0	3	301.434	2.594	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(C3CCCCC3)C2=O)C1	ZINC000333723491	336208868	/nfs/dbraw/zinc/20/88/68/336208868.db2.gz	OICCVRDRRKECML-VYDXJSESSA-N	0	3	303.450	2.982	20	30		DFEDHN
N#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccncn1	ZINC000352304877	336211194	/nfs/dbraw/zinc/21/11/94/336211194.db2.gz	IANBFOZQQDCBMD-GFCCVEGCSA-N	0	3	321.365	2.846	20	30		DFEDHN
C=C(C)CCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000352420833	336217596	/nfs/dbraw/zinc/21/75/96/336217596.db2.gz	HKARSPUQSMMPRQ-IAGOWNOFSA-N	0	3	312.413	2.602	20	30		DFEDHN
C=CCCCCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000352590221	336225965	/nfs/dbraw/zinc/22/59/65/336225965.db2.gz	XVRMDXBCWGCMTF-UHFFFAOYSA-N	0	3	319.453	2.936	20	30		DFEDHN
C[C@@H]1C[C@H](CN2CCN([C@H](C#N)c3ccccc3)CC2)CCO1	ZINC000352739705	336233251	/nfs/dbraw/zinc/23/32/51/336233251.db2.gz	NMGODVLYKPWEHD-ZHALLVOQSA-N	0	3	313.445	2.684	20	30		DFEDHN
Cc1cc([C@@H](NCC(=O)NC2(C#N)CCC2)C2CC2)ccc1F	ZINC000525893433	336376369	/nfs/dbraw/zinc/37/63/69/336376369.db2.gz	DPRJTMXSNNKVFO-KRWDZBQOSA-N	0	3	315.392	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc[nH]2)CC1	ZINC000114960505	336401597	/nfs/dbraw/zinc/40/15/97/336401597.db2.gz	NVVNJYMUYBEKAP-KRWDZBQOSA-N	0	3	316.449	2.902	20	30		DFEDHN
Cc1c(C#N)c(N2CC[C@]3(CCN(C)C3)C2)nc2ccccc12	ZINC000295693996	533715160	/nfs/dbraw/zinc/71/51/60/533715160.db2.gz	PAHXCLKIAWIJIR-IBGZPJMESA-N	0	3	306.413	2.947	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000356445507	336550218	/nfs/dbraw/zinc/55/02/18/336550218.db2.gz	DRRROPVQRXVRKY-UHFFFAOYSA-N	0	3	307.344	2.919	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@H](C)C#N)N(C)C	ZINC000357304889	336580116	/nfs/dbraw/zinc/58/01/16/336580116.db2.gz	KIBAXOQDTXCLBQ-KMFMINBZSA-N	0	3	316.449	2.787	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(COC)CCCCC2)CC1	ZINC000357968859	336604691	/nfs/dbraw/zinc/60/46/91/336604691.db2.gz	CWSJCJRBVUMKHF-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CCSCCN[C@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000358023898	336607143	/nfs/dbraw/zinc/60/71/43/336607143.db2.gz	LKZLWAZYTVYZRF-GFCCVEGCSA-N	0	3	314.476	2.628	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)C1(CC)CC	ZINC000360948746	336729064	/nfs/dbraw/zinc/72/90/64/336729064.db2.gz	VTWATPKIHMGTJM-BZUAXINKSA-N	0	3	323.481	2.568	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)C2CCN(CC)CC2)c1C	ZINC000362294338	336791034	/nfs/dbraw/zinc/79/10/34/336791034.db2.gz	FFBIXRKOZMSLPG-UHFFFAOYSA-N	0	3	317.477	2.890	20	30		DFEDHN
C=C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000362681101	336808867	/nfs/dbraw/zinc/80/88/67/336808867.db2.gz	ZLWONOUMIQPXDV-CQSZACIVSA-N	0	3	319.474	2.974	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@@]12CCCO2	ZINC000368002895	336834146	/nfs/dbraw/zinc/83/41/46/336834146.db2.gz	UDGXZRPHQPMMEB-CEXWTWQISA-N	0	3	315.413	2.515	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369824002	336872567	/nfs/dbraw/zinc/87/25/67/336872567.db2.gz	XNPPNMYMPXQUQF-IAGOWNOFSA-N	0	3	301.434	2.822	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC12CCOCC2)C(C)C	ZINC000370155629	336878796	/nfs/dbraw/zinc/87/87/96/336878796.db2.gz	HYFKWEGLZDKQAY-IAGOWNOFSA-N	0	3	320.477	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(Cc3ccccc3)C2)CC1	ZINC000370319843	336882393	/nfs/dbraw/zinc/88/23/93/336882393.db2.gz	RCLMXMDUWBBKCC-UHFFFAOYSA-N	0	3	313.445	2.521	20	30		DFEDHN
C[C@@H]1NCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1C	ZINC000418208274	336905832	/nfs/dbraw/zinc/90/58/32/336905832.db2.gz	CZNSIZZXXCHIDH-YQQAZPJKSA-N	0	3	314.433	2.813	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2CCCc3sccc32)CC1	ZINC000372109382	336922310	/nfs/dbraw/zinc/92/23/10/336922310.db2.gz	ZHVLVSQWWAZRAT-INIZCTEOSA-N	0	3	316.470	2.772	20	30		DFEDHN
N#CC1(c2ccccc2)CC(N[C@H](CO)Cc2ccc(F)cc2)C1	ZINC000372460059	336932066	/nfs/dbraw/zinc/93/20/66/336932066.db2.gz	LYSWNXQFXJOOFG-HDYDNRTBSA-N	0	3	324.399	2.943	20	30		DFEDHN
C=CCCCCCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000372578964	336934643	/nfs/dbraw/zinc/93/46/43/336934643.db2.gz	VBQKCBFFGWYXRQ-IIDMSEBBSA-N	0	3	308.466	2.724	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1	ZINC000372859376	336941239	/nfs/dbraw/zinc/94/12/39/336941239.db2.gz	RBNZLYMMBZOZHW-ZWKOTPCHSA-N	0	3	323.525	2.831	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2CC(=O)N3CCCC[C@H]23)cc1	ZINC000374513351	336991137	/nfs/dbraw/zinc/99/11/37/336991137.db2.gz	KDCMYUVRFQOKRJ-JCGIZDLHSA-N	0	3	312.413	2.503	20	30		DFEDHN
C=CCS(=O)(=O)CCNC1CC(c2cccc(Cl)c2)C1	ZINC000374699129	336995256	/nfs/dbraw/zinc/99/52/56/336995256.db2.gz	KXLLEGRMTDMCON-UHFFFAOYSA-N	0	3	313.850	2.776	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1	ZINC000375020227	337001622	/nfs/dbraw/zinc/00/16/22/337001622.db2.gz	MMZJUFJIKDHJFX-YOEHRIQHSA-N	0	3	315.417	2.809	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCOCC2)CC1	ZINC000375394328	337010368	/nfs/dbraw/zinc/01/03/68/337010368.db2.gz	UQNYSZNJQHPRMY-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000375568885	337013503	/nfs/dbraw/zinc/01/35/03/337013503.db2.gz	YDVCCONFLMGDLW-CGTJXYLNSA-N	0	3	313.445	2.781	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@@H]2CCc3n[nH]cc3C2)cc1	ZINC000375718206	337017632	/nfs/dbraw/zinc/01/76/32/337017632.db2.gz	HRBBYTUTILJJOL-NVXWUHKLSA-N	0	3	310.401	2.910	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000375761627	337018970	/nfs/dbraw/zinc/01/89/70/337018970.db2.gz	WDWXCRCQMGYNAU-MRXNPFEDSA-N	0	3	323.506	2.794	20	30		DFEDHN
COC(=O)[C@H]1CC[C@@H](NCc2cccc(OCCCC#N)c2)C1	ZINC000193497834	337020061	/nfs/dbraw/zinc/02/00/61/337020061.db2.gz	CYJWZGPDOMZRKN-JKSUJKDBSA-N	0	3	316.401	2.800	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC1CC1	ZINC000122863593	337027459	/nfs/dbraw/zinc/02/74/59/337027459.db2.gz	ABTOTYPKIQKEIC-UHFFFAOYSA-N	0	3	306.479	2.995	20	30		DFEDHN
CC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(C)c1	ZINC000122876083	337027598	/nfs/dbraw/zinc/02/75/98/337027598.db2.gz	BQZBZRAIIFRMSO-ZDUSSCGKSA-N	0	3	320.352	2.604	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000376446016	337033557	/nfs/dbraw/zinc/03/35/57/337033557.db2.gz	FCMGLQGNVHBBGP-QGZVFWFLSA-N	0	3	301.434	2.726	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C[C@@H](C#N)CCC#N)CC1	ZINC000377426402	337052467	/nfs/dbraw/zinc/05/24/67/337052467.db2.gz	RARWIJFPUINERF-GOSISDBHSA-N	0	3	310.445	2.946	20	30		DFEDHN
C=CCCCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377541395	337054618	/nfs/dbraw/zinc/05/46/18/337054618.db2.gz	FIVMQYPCCOLPQG-INIZCTEOSA-N	0	3	323.481	2.580	20	30		DFEDHN
C#Cc1ccc(CN2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)cc1	ZINC000377548080	337054882	/nfs/dbraw/zinc/05/48/82/337054882.db2.gz	FJRZJQNKFTXHNP-IBGZPJMESA-N	0	3	322.452	2.891	20	30		DFEDHN
C#Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)cc1	ZINC000377548081	337054891	/nfs/dbraw/zinc/05/48/91/337054891.db2.gz	FJRZJQNKFTXHNP-LJQANCHMSA-N	0	3	322.452	2.891	20	30		DFEDHN
C#Cc1ccc(CN2CCC(C(=O)Nc3cccnc3)CC2)cc1	ZINC000377694223	337058861	/nfs/dbraw/zinc/05/88/61/337058861.db2.gz	KVOJWJGNFUGCFF-UHFFFAOYSA-N	0	3	319.408	2.914	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000377709267	337059406	/nfs/dbraw/zinc/05/94/06/337059406.db2.gz	SYXHQXHCIAOZOJ-MSOLQXFVSA-N	0	3	313.445	2.988	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000377754860	337060114	/nfs/dbraw/zinc/06/01/14/337060114.db2.gz	YGCORMLJNNWPMT-UHFFFAOYSA-N	0	3	305.447	2.769	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@@H]2CCc3nc[nH]c3C2)cc1	ZINC000377756347	337060246	/nfs/dbraw/zinc/06/02/46/337060246.db2.gz	REAFTLZUCVUDTL-GDBMZVCRSA-N	0	3	310.401	2.910	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2cccs2)C[C@H]1C	ZINC000377804242	337061487	/nfs/dbraw/zinc/06/14/87/337061487.db2.gz	FGWAQXRWLFZQQZ-ZIAGYGMSSA-N	0	3	305.447	2.688	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2cccs2)C[C@@H]1C	ZINC000377804241	337061628	/nfs/dbraw/zinc/06/16/28/337061628.db2.gz	FGWAQXRWLFZQQZ-UONOGXRCSA-N	0	3	305.447	2.688	20	30		DFEDHN
C#CCOc1ccccc1CN(C)C[C@H]1CCn2ccnc2C1	ZINC000377861436	337062848	/nfs/dbraw/zinc/06/28/48/337062848.db2.gz	RDDLRGWGSQTELH-INIZCTEOSA-N	0	3	309.413	2.590	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)c2ccc(OC)cc2)CC1	ZINC000377916608	337063883	/nfs/dbraw/zinc/06/38/83/337063883.db2.gz	QVBRTNRVSSMQRT-UHFFFAOYSA-N	0	3	302.418	2.809	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)CC1	ZINC000378062782	337065864	/nfs/dbraw/zinc/06/58/64/337065864.db2.gz	VFGJBLPXIFNUPI-INIZCTEOSA-N	0	3	305.466	2.857	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1	ZINC000378251574	337068828	/nfs/dbraw/zinc/06/88/28/337068828.db2.gz	RTIWASZEJKSVOC-HZPDHXFCSA-N	0	3	316.470	2.764	20	30		DFEDHN
CN1C[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H](c2ccccc2)C1	ZINC000378318224	337069836	/nfs/dbraw/zinc/06/98/36/337069836.db2.gz	YYSOVRDGGLFYNW-RTBURBONSA-N	0	3	319.408	2.580	20	30		DFEDHN
CCCCCCCC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1	ZINC000378368339	337071082	/nfs/dbraw/zinc/07/10/82/337071082.db2.gz	GXQUMBXAHSQQKJ-KRWDZBQOSA-N	0	3	323.525	2.974	20	30		DFEDHN
C#CCCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21	ZINC000378394830	337071657	/nfs/dbraw/zinc/07/16/57/337071657.db2.gz	AEQVSSONGGFGFU-OAHLLOKOSA-N	0	3	300.402	2.536	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnc(C(C)(C)C)nc2)CC1	ZINC000171637033	337086942	/nfs/dbraw/zinc/08/69/42/337086942.db2.gz	OZJHGRLNYDRMIE-UHFFFAOYSA-N	0	3	317.437	2.546	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](O)C12CCCC2	ZINC000582684080	337122784	/nfs/dbraw/zinc/12/27/84/337122784.db2.gz	DEDWUYMBNMVRPC-SJORKVTESA-N	0	3	312.413	2.665	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1	ZINC000172908519	337132316	/nfs/dbraw/zinc/13/23/16/337132316.db2.gz	JEMFRHSYIATOCH-ZBFHGGJFSA-N	0	3	320.383	2.835	20	30		DFEDHN
CN1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000175713464	337147151	/nfs/dbraw/zinc/14/71/51/337147151.db2.gz	WSDQVYZCUBUJOU-UHFFFAOYSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=CCN(CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1	ZINC000176219618	337149610	/nfs/dbraw/zinc/14/96/10/337149610.db2.gz	MVVNSNKZKFEAFD-UHFFFAOYSA-N	0	3	300.362	2.522	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@]2(O)CCSC2)ccc1OC	ZINC000176758187	337151601	/nfs/dbraw/zinc/15/16/01/337151601.db2.gz	AMBFDONAWYOWRN-QGZVFWFLSA-N	0	3	323.458	2.608	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccc(N)c1)C(C)C	ZINC000178706758	337166254	/nfs/dbraw/zinc/16/62/54/337166254.db2.gz	CKTYKIPTZHCYLR-QGZVFWFLSA-N	0	3	301.434	2.697	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000183280194	337192703	/nfs/dbraw/zinc/19/27/03/337192703.db2.gz	LCMMMUBPVWSVPL-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1	ZINC000183677554	337193003	/nfs/dbraw/zinc/19/30/03/337193003.db2.gz	QVKCADCVRNWYGM-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN1CCN(Cc2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)CC1	ZINC000185728956	337250762	/nfs/dbraw/zinc/25/07/62/337250762.db2.gz	HOQFMXFHIFDIBK-FUHWJXTLSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccnn2C(C)(C)C)CC1	ZINC000186464163	337256375	/nfs/dbraw/zinc/25/63/75/337256375.db2.gz	DKLLKKRQOSMUHT-UHFFFAOYSA-N	0	3	319.453	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCC2CC(OCC)C2)CC1	ZINC000190559140	337288839	/nfs/dbraw/zinc/28/88/39/337288839.db2.gz	QJBLNHNERCTQIW-UHFFFAOYSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000191075321	337293580	/nfs/dbraw/zinc/29/35/80/337293580.db2.gz	AHHAAMGYRYGBQT-PKOBYXMFSA-N	0	3	319.445	2.576	20	30		DFEDHN
C=CCN(CCOC)CCC(=O)Nc1ccc(Cl)cc1F	ZINC000191117997	337294275	/nfs/dbraw/zinc/29/42/75/337294275.db2.gz	LYXZIIOECNGTMD-UHFFFAOYSA-N	0	3	314.788	2.942	20	30		DFEDHN
C#CCCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000192153527	337303313	/nfs/dbraw/zinc/30/33/13/337303313.db2.gz	DQDIDZXKNQIORN-IAGOWNOFSA-N	0	3	320.477	2.528	20	30		DFEDHN
C[C@@H](CC#N)Sc1ccccc1NC[C@H](O)CN(C)C1CC1	ZINC000583318184	337314809	/nfs/dbraw/zinc/31/48/09/337314809.db2.gz	WOXYLUNIKREORV-ZFWWWQNUSA-N	0	3	319.474	2.948	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1	ZINC000583760447	337330700	/nfs/dbraw/zinc/33/07/00/337330700.db2.gz	XKNRUNSUJZXANA-MRXNPFEDSA-N	0	3	317.820	2.977	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C2CC2)C1	ZINC000332899478	337396405	/nfs/dbraw/zinc/39/64/05/337396405.db2.gz	QJLQJKVIDWCNCO-GOEBONIOSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000128663879	337426292	/nfs/dbraw/zinc/42/62/92/337426292.db2.gz	VMPUPUWTNKIHCI-AWEZNQCLSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=C(CC)CN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419269797	337477021	/nfs/dbraw/zinc/47/70/21/337477021.db2.gz	PRQFZTYLIIVXPY-CYBMUJFWSA-N	0	3	300.324	2.658	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@H](C)c1ccccc1	ZINC000246041843	337506982	/nfs/dbraw/zinc/50/69/82/337506982.db2.gz	XDYGABYNDRQKSZ-PMPSAXMXSA-N	0	3	301.434	2.776	20	30		DFEDHN
CC1(C#N)CCN(Cc2cccc(CN3CCOCC3)c2)CC1	ZINC000420955560	337515045	/nfs/dbraw/zinc/51/50/45/337515045.db2.gz	XYDDAQLICAQZNJ-UHFFFAOYSA-N	0	3	313.445	2.644	20	30		DFEDHN
CN(c1ccc(NC(=O)C(C)(C)C#N)cc1)C1CCN(C)CC1	ZINC000079147545	337615601	/nfs/dbraw/zinc/61/56/01/337615601.db2.gz	YOTHZDXSMABXOQ-UHFFFAOYSA-N	0	3	314.433	2.705	20	30		DFEDHN
CCOc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1	ZINC000424063127	337730981	/nfs/dbraw/zinc/73/09/81/337730981.db2.gz	HPTQDSDUHVXWLW-DLBZAZTESA-N	0	3	315.417	2.770	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCC(F)(F)F	ZINC000424072735	337731138	/nfs/dbraw/zinc/73/11/38/337731138.db2.gz	YWTAIGIDZXZJCP-SNVBAGLBSA-N	0	3	315.295	2.587	20	30		DFEDHN
CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H](N)CCCC#N	ZINC000424072100	337731196	/nfs/dbraw/zinc/73/11/96/337731196.db2.gz	WXAVIMQVHZVTJN-ZDUSSCGKSA-N	0	3	313.323	2.685	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F	ZINC000424132607	337752074	/nfs/dbraw/zinc/75/20/74/337752074.db2.gz	WJNWRDIPNVIRLW-NWDGAFQWSA-N	0	3	317.286	2.566	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ncccc2F)CC1	ZINC000527730378	337759511	/nfs/dbraw/zinc/75/95/11/337759511.db2.gz	OGLQTFPGASMLHA-ZDUSSCGKSA-N	0	3	320.412	2.621	20	30		DFEDHN
CC(C)(C)c1ccccc1OCCNC(=O)[C@@H](N)CCCC#N	ZINC000424143279	337767499	/nfs/dbraw/zinc/76/74/99/337767499.db2.gz	QPEZHMFAAWFGTA-HNNXBMFYSA-N	0	3	317.433	2.500	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2ccccc2CC1	ZINC000532978581	337805042	/nfs/dbraw/zinc/80/50/42/337805042.db2.gz	HSKBLDJIEQDSQI-INIZCTEOSA-N	0	3	300.446	2.900	20	30		DFEDHN
COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1NC(C)=O	ZINC000424332320	337822440	/nfs/dbraw/zinc/82/24/40/337822440.db2.gz	STDTUNXINMVHAS-OSAQELSMSA-N	0	3	301.390	2.996	20	30		DFEDHN
CCCCc1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1	ZINC000108851158	337842599	/nfs/dbraw/zinc/84/25/99/337842599.db2.gz	JLIDARLYVLIJCN-GOSISDBHSA-N	0	3	301.434	2.956	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncccc1C)C(C)C	ZINC000426263422	338024126	/nfs/dbraw/zinc/02/41/26/338024126.db2.gz	MDQPREPPZLXJGN-INIZCTEOSA-N	0	3	301.434	2.818	20	30		DFEDHN
COCCN(Cc1cccc(OCCCC#N)c1)[C@H]1CCOC1	ZINC000426513127	338033795	/nfs/dbraw/zinc/03/37/95/338033795.db2.gz	FVDQCPCCYHTNOM-KRWDZBQOSA-N	0	3	318.417	2.606	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)NCC1CCCCC1	ZINC000429713023	338088030	/nfs/dbraw/zinc/08/80/30/338088030.db2.gz	UISSXBQZQQMXRO-MRXNPFEDSA-N	0	3	309.498	2.511	20	30		DFEDHN
CSc1cc2c(cc1CNCC1(CC#N)CC1)OCCO2	ZINC000430080936	338095092	/nfs/dbraw/zinc/09/50/92/338095092.db2.gz	YOBJLZLMRIMMNB-UHFFFAOYSA-N	0	3	304.415	2.963	20	30		DFEDHN
CC#CCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000430223017	338102010	/nfs/dbraw/zinc/10/20/10/338102010.db2.gz	VSXOMCDZWJSKIG-IBGZPJMESA-N	0	3	313.445	2.754	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000430223018	338102040	/nfs/dbraw/zinc/10/20/40/338102040.db2.gz	VSXOMCDZWJSKIG-LJQANCHMSA-N	0	3	313.445	2.754	20	30		DFEDHN
CC(C)(C)[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433365322	338193886	/nfs/dbraw/zinc/19/38/86/338193886.db2.gz	PEYGSOOVSMXYIR-JKSUJKDBSA-N	0	3	302.418	2.672	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccccc1	ZINC000433373147	338194136	/nfs/dbraw/zinc/19/41/36/338194136.db2.gz	JJTYEKLLEUIGTC-QZTJIDSGSA-N	0	3	308.381	2.609	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CCCC[C@H]1O	ZINC000433378171	338194270	/nfs/dbraw/zinc/19/42/70/338194270.db2.gz	PKIVWNOXOZLECF-YQVWRLOYSA-N	0	3	314.429	2.816	20	30		DFEDHN
CC(C)(C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433387000	338194455	/nfs/dbraw/zinc/19/44/55/338194455.db2.gz	PQNNFMBBLVWJCX-HZPDHXFCSA-N	0	3	302.418	2.672	20	30		DFEDHN
CC(C)(C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000433386998	338194483	/nfs/dbraw/zinc/19/44/83/338194483.db2.gz	PQNNFMBBLVWJCX-CVEARBPZSA-N	0	3	302.418	2.672	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(F)c2SC)CC1	ZINC000435698273	338245771	/nfs/dbraw/zinc/24/57/71/338245771.db2.gz	WAMWFQNDNIDAPX-UHFFFAOYSA-N	0	3	308.422	2.928	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(Br)cn1	ZINC000435728402	338246450	/nfs/dbraw/zinc/24/64/50/338246450.db2.gz	LJLPYPOLPUKNML-BXUZGUMPSA-N	0	3	311.223	2.915	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C	ZINC000437730897	338319669	/nfs/dbraw/zinc/31/96/69/338319669.db2.gz	SVQCQXNUTKFECO-NXOAAHMSSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CCN(C)C)CC(C)C)cc1	ZINC000448910391	338579534	/nfs/dbraw/zinc/57/95/34/338579534.db2.gz	LFTFEFYIWLATLZ-UHFFFAOYSA-N	0	3	318.461	2.840	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cccc(Br)c1F	ZINC000449205643	338602342	/nfs/dbraw/zinc/60/23/42/338602342.db2.gz	OGVJWEVXNZXZFG-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CCCCC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccs1	ZINC000449210662	338602616	/nfs/dbraw/zinc/60/26/16/338602616.db2.gz	QVANSWLOWHXDSU-ZDUSSCGKSA-N	0	3	316.492	2.751	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1	ZINC000451601581	338740085	/nfs/dbraw/zinc/74/00/85/338740085.db2.gz	AVIGFWABBVGCLB-NONVJHHQSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(SC)cc1	ZINC000451607049	338740227	/nfs/dbraw/zinc/74/02/27/338740227.db2.gz	OLCYREROAJBMDW-GLQYFDAESA-N	0	3	306.431	2.669	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1C=C	ZINC000451606717	338740263	/nfs/dbraw/zinc/74/02/63/338740263.db2.gz	NPFXLELCVZLAEE-IMJJTQAJSA-N	0	3	320.458	2.584	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000451607344	338740286	/nfs/dbraw/zinc/74/02/86/338740286.db2.gz	PQLXHXVPQMMMIY-TUVASFSCSA-N	0	3	320.458	2.733	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)OC)c1Cl	ZINC000451676460	338741697	/nfs/dbraw/zinc/74/16/97/338741697.db2.gz	ALIUFPFYNSVDOD-KGLIPLIRSA-N	0	3	309.793	2.950	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](c1ccccc1)C(C)C	ZINC000451681860	338741910	/nfs/dbraw/zinc/74/19/10/338741910.db2.gz	PFQFBAQXNWKJKI-AOIWGVFYSA-N	0	3	316.445	2.823	20	30		DFEDHN
C=CCOCCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1	ZINC000451908398	338747987	/nfs/dbraw/zinc/74/79/87/338747987.db2.gz	KEHOYPOSSSUDAR-CQSZACIVSA-N	0	3	304.217	2.993	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CCN1CCCCCC1)C(C)C	ZINC000451968601	338749466	/nfs/dbraw/zinc/74/94/66/338749466.db2.gz	IWZPEIOZHMGWMY-SJORKVTESA-N	0	3	308.466	2.691	20	30		DFEDHN
C=C(C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1	ZINC000452723908	338776739	/nfs/dbraw/zinc/77/67/39/338776739.db2.gz	OUIDMDGGNOIEJG-UHFFFAOYSA-N	0	3	315.461	2.671	20	30		DFEDHN
CC(C)(CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCCC1	ZINC000454191088	338856593	/nfs/dbraw/zinc/85/65/93/338856593.db2.gz	JSMRUSRVXJYANZ-GJZGRUSLSA-N	0	3	306.454	2.632	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2OCC)CC1	ZINC000454460352	338864241	/nfs/dbraw/zinc/86/42/41/338864241.db2.gz	ICLMGTRZAGPRHJ-IAGOWNOFSA-N	0	3	323.481	2.674	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000458660539	339002860	/nfs/dbraw/zinc/00/28/60/339002860.db2.gz	VUOCTAXJVNRIPM-HUUCEWRRSA-N	0	3	320.462	2.514	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C	ZINC000458779672	339005248	/nfs/dbraw/zinc/00/52/48/339005248.db2.gz	RRVQRHHJZAQPHO-HOCLYGCPSA-N	0	3	316.449	2.869	20	30		DFEDHN
C[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H](c1ccccc1)N(C)C	ZINC000458787634	339005356	/nfs/dbraw/zinc/00/53/56/339005356.db2.gz	XRNVFNYHCGRMCD-HOCLYGCPSA-N	0	3	316.449	2.917	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCCC1	ZINC000459044460	339012003	/nfs/dbraw/zinc/01/20/03/339012003.db2.gz	CWHMAPNUJDHFSB-HZPDHXFCSA-N	0	3	305.466	2.859	20	30		DFEDHN
COC(=O)[C@H](C)Oc1ccc(CNCC(C)(C)CC#N)cc1	ZINC000459731254	339044826	/nfs/dbraw/zinc/04/48/26/339044826.db2.gz	NBMKFALAYWZFID-ZDUSSCGKSA-N	0	3	304.390	2.656	20	30		DFEDHN
COC(=O)[C@@H](C)Oc1ccc(CNCC(C)(C)CC#N)cc1	ZINC000459731251	339044879	/nfs/dbraw/zinc/04/48/79/339044879.db2.gz	NBMKFALAYWZFID-CYBMUJFWSA-N	0	3	304.390	2.656	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C(F)(F)F)C(C)C	ZINC000463821265	339126044	/nfs/dbraw/zinc/12/60/44/339126044.db2.gz	XSKTZHHVUCDOQZ-STQMWFEESA-N	0	3	306.372	3.000	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1	ZINC000473618331	339389022	/nfs/dbraw/zinc/38/90/22/339389022.db2.gz	GWDIXHJVAKFLOM-QOSJWCAFSA-N	0	3	311.154	2.720	20	30		DFEDHN
CC#CCCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000483425285	339665156	/nfs/dbraw/zinc/66/51/56/339665156.db2.gz	HVEGHSMWHJKBBX-UHFFFAOYSA-N	0	3	319.493	2.942	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2c(C)cnc3c(C)cccc32)CC1	ZINC000491154678	339851172	/nfs/dbraw/zinc/85/11/72/339851172.db2.gz	LIVHUXNKOVPJIK-UHFFFAOYSA-N	0	3	321.424	2.817	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(CC)c(OC)c2)CC1	ZINC000491669038	339872614	/nfs/dbraw/zinc/87/26/14/339872614.db2.gz	KNVZOQGWUKAFGK-UHFFFAOYSA-N	0	3	300.402	2.541	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2(c3ccc(C)cc3C)CC2)CC1	ZINC000491700652	339874721	/nfs/dbraw/zinc/87/47/21/339874721.db2.gz	OVLIVBKZJQIZGL-UHFFFAOYSA-N	0	3	324.468	2.796	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCC#Cc2ccc(F)cc2)C1	ZINC000495481575	339985676	/nfs/dbraw/zinc/98/56/76/339985676.db2.gz	RJERGAAFYQARGY-HOCLYGCPSA-N	0	3	318.392	2.634	20	30		DFEDHN
C=C(Br)CN[C@H](C)[C@H]1CCCN(C(=O)OCC)C1	ZINC000495538610	339986949	/nfs/dbraw/zinc/98/69/49/339986949.db2.gz	DCFOPICTJAXMJX-NEPJUHHUSA-N	0	3	319.243	2.742	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(CNC[C@H](C#N)CCC#N)CC1	ZINC000495840404	339993114	/nfs/dbraw/zinc/99/31/14/339993114.db2.gz	CJHDOWWVPGBPSC-HNNXBMFYSA-N	0	3	320.437	2.667	20	30		DFEDHN
C=CCOCCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000496205927	340000495	/nfs/dbraw/zinc/00/04/95/340000495.db2.gz	LOGVXODXNFDHHV-LSDHHAIUSA-N	0	3	310.438	2.520	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](CCNC[C@@H](C#N)CCC#N)C1	ZINC000496290222	340002241	/nfs/dbraw/zinc/00/22/41/340002241.db2.gz	GGCULGPNFOUHHB-LSDHHAIUSA-N	0	3	320.437	2.667	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000496300022	340002460	/nfs/dbraw/zinc/00/24/60/340002460.db2.gz	DKLSOSBFNXLYPL-BVBHFADKSA-N	0	3	313.445	2.730	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCC(C)(C)C#N)[C@@H]2C1	ZINC000496451044	340005739	/nfs/dbraw/zinc/00/57/39/340005739.db2.gz	LMVLWXVUMVIHGE-UONOGXRCSA-N	0	3	307.438	2.867	20	30		DFEDHN
C=C1CCN(C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000496663521	340010059	/nfs/dbraw/zinc/01/00/59/340010059.db2.gz	OWLMMKFEWAMODM-INIZCTEOSA-N	0	3	324.465	2.646	20	30		DFEDHN
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCO[C@@H](C)C#N	ZINC000497108919	340020548	/nfs/dbraw/zinc/02/05/48/340020548.db2.gz	SQOXIZCRAVCDBX-UONOGXRCSA-N	0	3	317.389	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1	ZINC000176598253	340429037	/nfs/dbraw/zinc/42/90/37/340429037.db2.gz	LNJZXHVHMDRDLD-VYDXJSESSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCOc1ccccc1CNCC1(O)Cc2ccccc2C1	ZINC000538414613	340822220	/nfs/dbraw/zinc/82/22/20/340822220.db2.gz	OCKQIDYRUXXZOB-UHFFFAOYSA-N	0	3	309.409	2.871	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@]1(C)CCCc2ccccc21	ZINC000538707641	340838997	/nfs/dbraw/zinc/83/89/97/340838997.db2.gz	MZLXRMZRMJIFRU-RBUKOAKNSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NC[C@H]1CCCN1CC	ZINC000074170116	341132558	/nfs/dbraw/zinc/13/25/58/341132558.db2.gz	ZEWYTNGEHVGEJD-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](OC)C1)C(C)C	ZINC000076554058	341209505	/nfs/dbraw/zinc/20/95/05/341209505.db2.gz	VKIQUXTVVLJITD-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCOCCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000547767901	341231267	/nfs/dbraw/zinc/23/12/67/341231267.db2.gz	JRFVPVBKRPSTIT-AWEZNQCLSA-N	0	3	303.324	2.921	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1	ZINC000078324842	341240430	/nfs/dbraw/zinc/24/04/30/341240430.db2.gz	LMGZPUYTACVOQQ-HZPDHXFCSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@H](O)COC[C@H]1CCCO1	ZINC000548096842	341246792	/nfs/dbraw/zinc/24/67/92/341246792.db2.gz	NEMGJUXYGQBTGZ-RBUKOAKNSA-N	0	3	319.445	2.621	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C	ZINC000246340831	341342906	/nfs/dbraw/zinc/34/29/06/341342906.db2.gz	FFZHMDZJDXMFFX-JFIYKMOQSA-N	0	3	313.445	2.873	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)[C@H]1C	ZINC000246340843	341342932	/nfs/dbraw/zinc/34/29/32/341342932.db2.gz	FFZHMDZJDXMFFX-NUJGCVRESA-N	0	3	313.445	2.873	20	30		DFEDHN
CN(C)C[C@@H](CNC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1	ZINC000552027347	341362840	/nfs/dbraw/zinc/36/28/40/341362840.db2.gz	FOFVFKWPEJLGMF-CQSZACIVSA-N	0	3	319.836	2.795	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000565695820	341535385	/nfs/dbraw/zinc/53/53/85/341535385.db2.gz	KPWOLOIFVUIGQC-AGIUHOORSA-N	0	3	303.793	2.727	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1Oc1ccccc1	ZINC000568740374	341680213	/nfs/dbraw/zinc/68/02/13/341680213.db2.gz	QAXOHIRIEXUNOJ-QBBQCFRVSA-N	0	3	300.402	2.893	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000577726894	341932219	/nfs/dbraw/zinc/93/22/19/341932219.db2.gz	LTIRDOCLWCSXSW-RWMBFGLXSA-N	0	3	319.371	2.705	20	30		DFEDHN
CCc1ccc([C@@H](CO)NCCOc2cccc(C#N)c2)cc1	ZINC000359623780	500747451	/nfs/dbraw/zinc/74/74/51/500747451.db2.gz	FRGSQDZCPIBTJT-LJQANCHMSA-N	0	3	310.397	2.823	20	30		DFEDHN
COc1cccc2c1CCN(C[C@@H](O)c1ccc(C#N)cc1)CC2	ZINC000193711612	500861886	/nfs/dbraw/zinc/86/18/86/500861886.db2.gz	DPJSPNVTSOIIDL-LJQANCHMSA-N	0	3	322.408	2.701	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000355167152	517346198	/nfs/dbraw/zinc/34/61/98/517346198.db2.gz	RIOFBBGLLURMRF-DOTOQJQBSA-N	0	3	301.434	2.699	20	30		DFEDHN
CCN(CCC(=O)OC)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000356068811	520993323	/nfs/dbraw/zinc/99/33/23/520993323.db2.gz	UGRBCXQNEJJDNP-UHFFFAOYSA-N	0	3	314.307	2.962	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1cnccc1C#N	ZINC000364907433	522661745	/nfs/dbraw/zinc/66/17/45/522661745.db2.gz	XUQIWIKRAGXQJR-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1O	ZINC000330718507	526671225	/nfs/dbraw/zinc/67/12/25/526671225.db2.gz	VQVXXJYFOPOCRD-SJORKVTESA-N	0	3	302.418	2.666	20	30		DFEDHN
CO[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C	ZINC000251935629	536732910	/nfs/dbraw/zinc/73/29/10/536732910.db2.gz	UFZAJFFJVGBVFX-RDTXWAMCSA-N	0	3	324.428	2.816	20	30		DFEDHN
C=CC[C@@H](CO)NCc1c(C)nn(-c2ccc(F)cc2F)c1C	ZINC000680484871	545500948	/nfs/dbraw/zinc/50/09/48/545500948.db2.gz	PWAXGWCPCXFVLP-AWEZNQCLSA-N	0	3	321.371	2.794	20	30		DFEDHN
N#CC(C(=O)c1ccoc1C1CC1)c1nnc2n1CCCCC2	ZINC000684948594	546307259	/nfs/dbraw/zinc/30/72/59/546307259.db2.gz	YPWWYJWNPYPFMS-ZDUSSCGKSA-N	0	3	310.357	2.965	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1cc(CO)c(F)cn1)C(C)C	ZINC000685265732	546333486	/nfs/dbraw/zinc/33/34/86/546333486.db2.gz	QEWRTPUHRLAEGG-MRXNPFEDSA-N	0	3	307.413	2.824	20	30		DFEDHN
C=CC1CC[NH+](CCCOc2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000735409698	598704820	/nfs/dbraw/zinc/70/48/20/598704820.db2.gz	IWGPZVGTBAEITK-UHFFFAOYSA-N	0	3	313.405	2.534	20	30		DFEDHN
C=CC1CC[NH+](CCCOc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000735409698	598704821	/nfs/dbraw/zinc/70/48/21/598704821.db2.gz	IWGPZVGTBAEITK-UHFFFAOYSA-N	0	3	313.405	2.534	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1	ZINC000823894100	607684379	/nfs/dbraw/zinc/68/43/79/607684379.db2.gz	HJTGFSALVLJNMU-HNNXBMFYSA-N	0	3	301.369	2.840	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1	ZINC000823894100	607684381	/nfs/dbraw/zinc/68/43/81/607684381.db2.gz	HJTGFSALVLJNMU-HNNXBMFYSA-N	0	3	301.369	2.840	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824612016	608467439	/nfs/dbraw/zinc/46/74/39/608467439.db2.gz	ICLUIUZUKPPZFR-LLVKDONJSA-N	0	3	322.347	2.728	20	30		DFEDHN
C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000825966160	609515716	/nfs/dbraw/zinc/51/57/16/609515716.db2.gz	QOGYRMUSTFIXMC-UHFFFAOYSA-N	0	3	318.384	2.565	20	30		DFEDHN
C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(-c2nn[n-]n2)c1	ZINC000825966160	609515718	/nfs/dbraw/zinc/51/57/18/609515718.db2.gz	QOGYRMUSTFIXMC-UHFFFAOYSA-N	0	3	318.384	2.565	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1	ZINC000181280213	199274788	/nfs/dbraw/zinc/27/47/88/199274788.db2.gz	MGJRCECCVPPWAP-ZDUSSCGKSA-N	0	3	310.401	2.746	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1ccc(C#N)cc1	ZINC000268039338	299074463	/nfs/dbraw/zinc/07/44/63/299074463.db2.gz	XMODCKIKBHRYOF-JKIFEVAISA-N	0	3	314.433	2.601	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000278576800	214250797	/nfs/dbraw/zinc/25/07/97/214250797.db2.gz	XWCMXLYNGHOKQX-UHFFFAOYSA-N	0	3	315.377	2.924	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN(C)Cc1ccccc1	ZINC000278635219	214291159	/nfs/dbraw/zinc/29/11/59/214291159.db2.gz	YPSWMHLPXKHDCQ-QZTJIDSGSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=CC[C@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000081410841	398347954	/nfs/dbraw/zinc/34/79/54/398347954.db2.gz	ZEYBQRBSMNOMHR-KRWDZBQOSA-N	0	3	315.461	2.588	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1	ZINC000488802388	398349252	/nfs/dbraw/zinc/34/92/52/398349252.db2.gz	QVUMNRYLBVETJU-DLBZAZTESA-N	0	3	309.413	2.502	20	30		DFEDHN
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC(C)C	ZINC000065961563	398352842	/nfs/dbraw/zinc/35/28/42/398352842.db2.gz	UXTLFPYYWJLZMI-HNNXBMFYSA-N	0	3	317.433	2.918	20	30		DFEDHN
Cc1nn(C)c2ncc(CN[C@H](C)c3cccc(C#N)c3)cc12	ZINC000237481567	398370556	/nfs/dbraw/zinc/37/05/56/398370556.db2.gz	ZOLUNGCYTWEOSJ-GFCCVEGCSA-N	0	3	305.385	2.999	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1ncon1	ZINC000578400650	398372712	/nfs/dbraw/zinc/37/27/12/398372712.db2.gz	BUHGACBFKVAPIX-JKSUJKDBSA-N	0	3	324.384	2.896	20	30		DFEDHN
Cc1ccccc1CN1CCCN(Cc2ccncc2C#N)CC1	ZINC000592056063	398377509	/nfs/dbraw/zinc/37/75/09/398377509.db2.gz	SUYRTPHZMUCWPK-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C[C@@H](NCCCN1CCOC1=O)c1ccc(C#N)cc1Cl	ZINC000279016265	214573921	/nfs/dbraw/zinc/57/39/21/214573921.db2.gz	HICXGUVYPWCZCU-LLVKDONJSA-N	0	3	307.781	2.705	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(-n3cccc3)cc2)CC1	ZINC000592068748	398379484	/nfs/dbraw/zinc/37/94/84/398379484.db2.gz	XLJTZSAYXSETAH-UHFFFAOYSA-N	0	3	323.440	2.786	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1	ZINC000579971146	398384630	/nfs/dbraw/zinc/38/46/30/398384630.db2.gz	VKTDLBKADFFJFP-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000581255839	398389316	/nfs/dbraw/zinc/38/93/16/398389316.db2.gz	PHFUHEFFNFVYJW-SUYBPPKGSA-N	0	3	319.836	2.651	20	30		DFEDHN
Cc1cccc(C2(NCC(=O)N[C@](C)(C#N)C3CC3)CCC2)c1	ZINC000592146936	398391606	/nfs/dbraw/zinc/39/16/06/398391606.db2.gz	WUBFSZJOTUWBLW-GOSISDBHSA-N	0	3	311.429	2.772	20	30		DFEDHN
N#CC[C@]1(O)CCN(CCC(=O)Nc2cccc3ccccc32)C1	ZINC000592148734	398392676	/nfs/dbraw/zinc/39/26/76/398392676.db2.gz	AJPUCAPGODCWMA-IBGZPJMESA-N	0	3	323.396	2.519	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000581707987	398392684	/nfs/dbraw/zinc/39/26/84/398392684.db2.gz	CXYNQBZATZTOLW-KYNGSXCRSA-N	0	3	324.424	2.950	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]([C@H]2CCCC2(C)C)C1	ZINC000592154747	398393351	/nfs/dbraw/zinc/39/33/51/398393351.db2.gz	VHTRTVANIHDDHE-BZUAXINKSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@H](C(=O)NCc3ccccc3)C2)c1	ZINC000592156229	398393398	/nfs/dbraw/zinc/39/33/98/398393398.db2.gz	VELNXAHHPLHCHG-IBGZPJMESA-N	0	3	319.408	2.697	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]([C@@H]2CCCC2(C)C)C1	ZINC000592154753	398393410	/nfs/dbraw/zinc/39/34/10/398393410.db2.gz	VHTRTVANIHDDHE-PMPSAXMXSA-N	0	3	305.466	2.895	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCCC[C@H]1c1ccccc1	ZINC000272800370	210203371	/nfs/dbraw/zinc/20/33/71/210203371.db2.gz	BFFGSAJMFZLKCF-IRXDYDNUSA-N	0	3	307.459	2.903	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@@H]1CCN(C)C1	ZINC000592265342	398409451	/nfs/dbraw/zinc/40/94/51/398409451.db2.gz	ZKNXSXNHTMSZKZ-MRXNPFEDSA-N	0	3	300.406	2.815	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nc3c(s2)CCC3)CC1	ZINC000592291774	398411029	/nfs/dbraw/zinc/41/10/29/398411029.db2.gz	SLMJKMSQDQQPMG-UHFFFAOYSA-N	0	3	320.462	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc3ccn(C)c32)CC1	ZINC000190025809	334942649	/nfs/dbraw/zinc/94/26/49/334942649.db2.gz	QQASXVUJFRPWGU-UHFFFAOYSA-N	0	3	312.417	2.950	20	30		DFEDHN
CCS[C@H]1CCC[C@H](NCc2cnc3c(C#N)cnn3c2)C1	ZINC000592504211	398436470	/nfs/dbraw/zinc/43/64/70/398436470.db2.gz	QTSHZCWBIWTLPJ-GJZGRUSLSA-N	0	3	315.446	2.755	20	30		DFEDHN
Cc1ccc2c(c1)[C@@H](NCc1cnc3c(C#N)cnn3c1)[C@@H](C)C2	ZINC000592505413	398437309	/nfs/dbraw/zinc/43/73/09/398437309.db2.gz	SYAPOZCNZVVTKA-UGSOOPFHSA-N	0	3	317.396	2.933	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)C1	ZINC000592524574	398441962	/nfs/dbraw/zinc/44/19/62/398441962.db2.gz	YOHSHTSNWLOYOB-FXRXJOCMSA-N	0	3	322.412	2.984	20	30		DFEDHN
N#CCCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000417518488	334948887	/nfs/dbraw/zinc/94/88/87/334948887.db2.gz	SRKBDMHPDZTAJV-KRWDZBQOSA-N	0	3	310.401	2.833	20	30		DFEDHN
CN1CCC[C@H](CNc2cnc(C#N)cn2)[C@H]1c1cccs1	ZINC000302275831	530061131	/nfs/dbraw/zinc/06/11/31/530061131.db2.gz	ISMXATKCVKMVBQ-WBMJQRKESA-N	0	3	313.430	2.905	20	30		DFEDHN
C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)[C@@H](c1ccccc1)N(C)C	ZINC000596597676	398457369	/nfs/dbraw/zinc/45/73/69/398457369.db2.gz	XCMQEHDQOWHTMC-QILLFSRXSA-N	0	3	314.433	2.623	20	30		DFEDHN
C=CCCSCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000596717251	398484969	/nfs/dbraw/zinc/48/49/69/398484969.db2.gz	KYMSSLGAYAXFIT-CQSZACIVSA-N	0	3	313.511	2.667	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1F)C(C)C	ZINC000133513649	334959164	/nfs/dbraw/zinc/95/91/64/334959164.db2.gz	UYELBQUITUVRCJ-MRXNPFEDSA-N	0	3	305.397	2.649	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	ZINC000592826393	398491148	/nfs/dbraw/zinc/49/11/48/398491148.db2.gz	QMOJQCWMYXTYKF-ONGXEEELSA-N	0	3	301.777	2.954	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000068313419	398494588	/nfs/dbraw/zinc/49/45/88/398494588.db2.gz	LMFNDSXXRMMION-OAHLLOKOSA-N	0	3	322.424	2.697	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1F)c1ccc(C#N)cc1	ZINC000030532706	398503502	/nfs/dbraw/zinc/50/35/02/398503502.db2.gz	ZFBXXQGZZXYEJE-CJNGLKHVSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1F)c1ccc(C#N)cc1	ZINC000030532704	398503552	/nfs/dbraw/zinc/50/35/52/398503552.db2.gz	ZFBXXQGZZXYEJE-XJKSGUPXSA-N	0	3	314.360	2.788	20	30		DFEDHN
C=CCOc1ccc(CNCCN2CC=CCC2)cc1OC	ZINC000279617147	215009510	/nfs/dbraw/zinc/00/95/10/215009510.db2.gz	AKBPUOXMUBJPQL-UHFFFAOYSA-N	0	3	302.418	2.612	20	30		DFEDHN
Cc1cc(NC(=O)[C@]2(C#N)CCNC2)ccc1Oc1cccnc1	ZINC000592955722	398511460	/nfs/dbraw/zinc/51/14/60/398511460.db2.gz	BXYDFCJRGQKKKU-SFHVURJKSA-N	0	3	322.368	2.624	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC1CCN(CC)CC1	ZINC000068566304	398513683	/nfs/dbraw/zinc/51/36/83/398513683.db2.gz	FJINJAOMSACFGO-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000593024097	398523657	/nfs/dbraw/zinc/52/36/57/398523657.db2.gz	ACGXRBVIAVWFIR-CQSZACIVSA-N	0	3	303.362	2.715	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCN(CC)C1	ZINC000596910811	398527929	/nfs/dbraw/zinc/52/79/29/398527929.db2.gz	IAPIQGXSARACML-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](O)c2ccc(Cl)cc2)CC1	ZINC000091442748	398529736	/nfs/dbraw/zinc/52/97/36/398529736.db2.gz	HAORQUOKNXGLJF-INIZCTEOSA-N	0	3	322.836	2.530	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000596926345	398530467	/nfs/dbraw/zinc/53/04/67/398530467.db2.gz	TYVNRYSNSLXQME-OAHLLOKOSA-N	0	3	314.433	2.995	20	30		DFEDHN
CC(C)O[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000593054917	398533046	/nfs/dbraw/zinc/53/30/46/398533046.db2.gz	HRCRBSBCWLZDEK-CQSZACIVSA-N	0	3	321.446	2.838	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000091556023	398536275	/nfs/dbraw/zinc/53/62/75/398536275.db2.gz	FRQARKCFQIJOBI-IAGOWNOFSA-N	0	3	321.509	2.796	20	30		DFEDHN
COC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000593067030	398536760	/nfs/dbraw/zinc/53/67/60/398536760.db2.gz	RNIXDSJHPCUBOA-RTBURBONSA-N	0	3	322.408	2.807	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CC[C@@H](C(F)(F)F)C2)c1	ZINC000319112400	398540798	/nfs/dbraw/zinc/54/07/98/398540798.db2.gz	GXTSEAYFIQYKAX-GFCCVEGCSA-N	0	3	311.307	2.771	20	30		DFEDHN
COCCN1CCN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1	ZINC000593100890	398546214	/nfs/dbraw/zinc/54/62/14/398546214.db2.gz	LKBYNCLBSSSCHF-UHFFFAOYSA-N	0	3	321.852	2.754	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(c3ccccn3)C1)CC2	ZINC000589343599	398547486	/nfs/dbraw/zinc/54/74/86/398547486.db2.gz	FYRXGCAVESUUMZ-SJLPKXTDSA-N	0	3	304.397	2.809	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1	ZINC000069072110	398545515	/nfs/dbraw/zinc/54/55/15/398545515.db2.gz	LPBCNFRRVOIHKF-LJQANCHMSA-N	0	3	310.397	2.740	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1cccc(C#N)n1)c1ccccc1	ZINC000589387320	398549892	/nfs/dbraw/zinc/54/98/92/398549892.db2.gz	VXXJFGYSWSDUCT-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
C=CCc1cc(CN(C)C[C@H]2CCC[C@@H]2O)cc(OC)c1O	ZINC000091899163	398548785	/nfs/dbraw/zinc/54/87/85/398548785.db2.gz	WXRUJLWVQMBYIJ-CVEARBPZSA-N	0	3	305.418	2.722	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@]2(CC2(F)F)C1	ZINC000593118409	398550392	/nfs/dbraw/zinc/55/03/92/398550392.db2.gz	VZZOJDFGJUOFSB-OAHLLOKOSA-N	0	3	308.328	2.677	20	30		DFEDHN
Cc1cccc(CN(C)C[C@@H](O)COc2ccccc2C#N)c1	ZINC000321624628	398553865	/nfs/dbraw/zinc/55/38/65/398553865.db2.gz	UUWBRALPNVALAV-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000092069640	398557330	/nfs/dbraw/zinc/55/73/30/398557330.db2.gz	XJCXMRQCBDFLKC-QGZVFWFLSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NCCCN(C)Cc1ccccc1	ZINC000069330991	398564336	/nfs/dbraw/zinc/56/43/36/398564336.db2.gz	USUSJFNCJDNZTD-MRXNPFEDSA-N	0	3	304.434	2.606	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1cccc(C#N)n1	ZINC000589621601	398565216	/nfs/dbraw/zinc/56/52/16/398565216.db2.gz	KMIBCJYWDGDNGQ-UHFFFAOYSA-N	0	3	314.433	2.680	20	30		DFEDHN
Cc1nc(N2CCC[C@@H]2[C@H]2CCCN2C)c(Cl)cc1C#N	ZINC000589687317	398570694	/nfs/dbraw/zinc/57/06/94/398570694.db2.gz	QROSZZCYQCIKEF-HUUCEWRRSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1=O	ZINC000337178693	398575414	/nfs/dbraw/zinc/57/54/14/398575414.db2.gz	KNIZPOWJCIHARU-RDTXWAMCSA-N	0	3	324.428	2.618	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)c1cccc(C#N)n1	ZINC000589833448	398578115	/nfs/dbraw/zinc/57/81/15/398578115.db2.gz	HRWNCXDRBNYLIH-UHFFFAOYSA-N	0	3	314.433	2.537	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ncccc2C#N)CC1	ZINC000042104241	398582774	/nfs/dbraw/zinc/58/27/74/398582774.db2.gz	OMTYVAUXRHEYQK-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1cn(C)nc1C(=O)OCC	ZINC000597174542	398582190	/nfs/dbraw/zinc/58/21/90/398582190.db2.gz	XOLXDBQITZQNDH-ZFWWWQNUSA-N	0	3	305.422	2.821	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)C(C)(C)C#N)c1cccc(OC)c1	ZINC000042127803	398583694	/nfs/dbraw/zinc/58/36/94/398583694.db2.gz	VALRNKJUOLPLHH-INIZCTEOSA-N	0	3	317.433	2.744	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CN[C@@H]2CCCC[C@@H]2C#N)cn1	ZINC000597196937	398587876	/nfs/dbraw/zinc/58/78/76/398587876.db2.gz	VHASUDZUJFEBEV-YALNPMBYSA-N	0	3	302.422	2.560	20	30		DFEDHN
CN(C)CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000597198244	398588418	/nfs/dbraw/zinc/58/84/18/398588418.db2.gz	MFSJRMPUDCXAFR-SJLPKXTDSA-N	0	3	301.434	2.799	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN[C@H]2CCCC[C@H]2C#N)cn1	ZINC000597197762	398588705	/nfs/dbraw/zinc/58/87/05/398588705.db2.gz	YVRFOWQLNCQIIM-NXNVCVFFSA-N	0	3	302.422	2.653	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(c2n[nH]c(C)n2)CC1	ZINC000092736864	398597305	/nfs/dbraw/zinc/59/73/05/398597305.db2.gz	BLMWCABCGMNUDS-UHFFFAOYSA-N	0	3	310.401	2.505	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(c2nc(C)n[nH]2)CC1	ZINC000092736864	398597308	/nfs/dbraw/zinc/59/73/08/398597308.db2.gz	BLMWCABCGMNUDS-UHFFFAOYSA-N	0	3	310.401	2.505	20	30		DFEDHN
N#CCCCCCc1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000350207825	398599110	/nfs/dbraw/zinc/59/91/10/398599110.db2.gz	ZPJWOTZOZDWXIY-STQMWFEESA-N	0	3	301.394	2.551	20	30		DFEDHN
C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@]1(C)CO	ZINC000597236823	398601025	/nfs/dbraw/zinc/60/10/25/398601025.db2.gz	UHOKYGXUKHVFCI-YJBOKZPZSA-N	0	3	302.418	2.819	20	30		DFEDHN
COC[C@@H](NCCOCCC#N)c1cccc(C(F)(F)F)c1	ZINC000590171886	398602847	/nfs/dbraw/zinc/60/28/47/398602847.db2.gz	BKOBYZKTZUGCJI-CQSZACIVSA-N	0	3	316.323	2.913	20	30		DFEDHN
CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1OCC(=O)NC	ZINC000590169908	398603184	/nfs/dbraw/zinc/60/31/84/398603184.db2.gz	BJQBJAWZDXOJMR-YCPHGPKFSA-N	0	3	315.417	2.544	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1(C#N)CC1	ZINC000590188229	398604228	/nfs/dbraw/zinc/60/42/28/398604228.db2.gz	CSPIYSLZKMYCCS-UHFFFAOYSA-N	0	3	319.836	2.924	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)cc1Cl	ZINC000597243704	398604998	/nfs/dbraw/zinc/60/49/98/398604998.db2.gz	VCRUVIQGWXDULE-JOCQHMNTSA-N	0	3	309.793	2.946	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1	ZINC000593392395	398617308	/nfs/dbraw/zinc/61/73/08/398617308.db2.gz	IFYYOXGFAJCTJF-DZGCQCFKSA-N	0	3	302.374	2.735	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000593397175	398618091	/nfs/dbraw/zinc/61/80/91/398618091.db2.gz	TXGHNOGBKCJLCU-YOEHRIQHSA-N	0	3	317.433	2.744	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)CC#N	ZINC000597321684	398620087	/nfs/dbraw/zinc/62/00/87/398620087.db2.gz	NSJDBVRTKPNILQ-AEFFLSMTSA-N	0	3	313.445	2.907	20	30		DFEDHN
CC[C@H](C#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000593423700	398624130	/nfs/dbraw/zinc/62/41/30/398624130.db2.gz	PNTUYNWFFGOKPG-OAHLLOKOSA-N	0	3	311.429	2.585	20	30		DFEDHN
N#Cc1cc(Cl)c(C(=O)NCCN2CCCC2)c(Cl)c1	ZINC000590617237	398639440	/nfs/dbraw/zinc/63/94/40/398639440.db2.gz	YMLRXIBGQDJYDK-UHFFFAOYSA-N	0	3	312.200	2.691	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)n2c1	ZINC000590656892	398646590	/nfs/dbraw/zinc/64/65/90/398646590.db2.gz	HJRKPFYCJVGGGD-KSZLIROESA-N	0	3	324.428	2.721	20	30		DFEDHN
CCC(C#N)C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC	ZINC000593497475	398646939	/nfs/dbraw/zinc/64/69/39/398646939.db2.gz	YPXOYDDGZWMUIE-BPLDGKMQSA-N	0	3	306.406	2.507	20	30		DFEDHN
C=CCOc1cccc(NC(=O)C2(N)Cc3ccccc3C2)c1	ZINC000364867578	398647329	/nfs/dbraw/zinc/64/73/29/398647329.db2.gz	QDBDBCKWCDLOSM-UHFFFAOYSA-N	0	3	308.381	2.686	20	30		DFEDHN
C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cccc(C#N)c1	ZINC000171955456	198014942	/nfs/dbraw/zinc/01/49/42/198014942.db2.gz	XMBKTXWUKDBKOK-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc2ccccc2c1	ZINC000593594974	398659226	/nfs/dbraw/zinc/65/92/26/398659226.db2.gz	JGWCBANKIHWMDO-BLLLJJGKSA-N	0	3	310.353	2.720	20	30		DFEDHN
CC(C)(CNC(=O)Nc1ccc(C#N)cc1)N1CCCCC1	ZINC000045029149	398659482	/nfs/dbraw/zinc/65/94/82/398659482.db2.gz	QZBHMLFIYMKRMY-UHFFFAOYSA-N	0	3	300.406	2.944	20	30		DFEDHN
C[C@H](CNCC1(C#N)CCCC1)c1ccc(S(C)(=O)=O)cc1	ZINC000593654965	398666283	/nfs/dbraw/zinc/66/62/83/398666283.db2.gz	SJADYQVFGQWRRA-CQSZACIVSA-N	0	3	320.458	2.867	20	30		DFEDHN
CCc1nocc1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593693104	398672034	/nfs/dbraw/zinc/67/20/34/398672034.db2.gz	OZLXKDKMSANKTF-UHFFFAOYSA-N	0	3	324.428	2.863	20	30		DFEDHN
COC1([C@@H](C)NCc2ccc(C#N)c(Cl)c2)CCOCC1	ZINC000590778605	398672739	/nfs/dbraw/zinc/67/27/39/398672739.db2.gz	BTUHISYJTSLJFD-GFCCVEGCSA-N	0	3	308.809	2.885	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(C)CCCc1nccn1CCC	ZINC000277159400	213334966	/nfs/dbraw/zinc/33/49/66/213334966.db2.gz	KAXNJWZMNFLWMC-UHFFFAOYSA-N	0	3	320.481	2.582	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCn2ccnc2C(C)C)CC1	ZINC000073436833	398681399	/nfs/dbraw/zinc/68/13/99/398681399.db2.gz	HGWUQJRKXNDQHE-UHFFFAOYSA-N	0	3	318.465	2.553	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2cccc(N3CCCC3)c2)C1=O	ZINC000280974883	334974682	/nfs/dbraw/zinc/97/46/82/334974682.db2.gz	HZMRRLFLMCVUBO-CRAIPNDOSA-N	0	3	313.445	2.724	20	30		DFEDHN
C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN(C2CC2)C1	ZINC000597703739	398682687	/nfs/dbraw/zinc/68/26/87/398682687.db2.gz	IPDVEOFZFSPZKL-HNNXBMFYSA-N	0	3	303.450	2.793	20	30		DFEDHN
CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000597709733	398683518	/nfs/dbraw/zinc/68/35/18/398683518.db2.gz	APQBLIDBJZAHDL-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
CCN1CCC(n2nccc2NC(=O)c2ccc(C#N)cc2)CC1	ZINC000073024990	191270506	/nfs/dbraw/zinc/27/05/06/191270506.db2.gz	UXTBYIVJVNXDGV-UHFFFAOYSA-N	0	3	323.400	2.664	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2	ZINC000174029788	198283598	/nfs/dbraw/zinc/28/35/98/198283598.db2.gz	FCFMSUGXKULWEL-CJNGLKHVSA-N	0	3	309.417	2.939	20	30		DFEDHN
C[C@@H](CO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593831283	398695594	/nfs/dbraw/zinc/69/55/94/398695594.db2.gz	SYZNHCAFYBYHJT-MAUKXSAKSA-N	0	3	314.429	2.626	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2Cl)CCC1	ZINC000593912986	398703040	/nfs/dbraw/zinc/70/30/40/398703040.db2.gz	VHALHFDTKVBHKM-CQSZACIVSA-N	0	3	305.809	2.857	20	30		DFEDHN
COc1cc(OC)c(CCNCc2ccc(C#N)o2)c(OC)c1	ZINC000174371879	198327031	/nfs/dbraw/zinc/32/70/31/198327031.db2.gz	LAGPURJPAWXPKX-UHFFFAOYSA-N	0	3	316.357	2.509	20	30		DFEDHN
C[C@@](CO)(NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000597840858	398703513	/nfs/dbraw/zinc/70/35/13/398703513.db2.gz	BTHXFWOYLZMPHM-PXNSSMCTSA-N	0	3	322.408	2.783	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000046380743	398706168	/nfs/dbraw/zinc/70/61/68/398706168.db2.gz	MSEHCKASCCFRKW-GJZGRUSLSA-N	0	3	314.433	2.650	20	30		DFEDHN
C=C(C)CN1CCC(NCc2ccc(C(=O)OCC)o2)CC1	ZINC000182187950	199399932	/nfs/dbraw/zinc/39/99/32/199399932.db2.gz	YFLWQRWFHXZUAL-UHFFFAOYSA-N	0	3	306.406	2.586	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCCC#N	ZINC000593973203	398711637	/nfs/dbraw/zinc/71/16/37/398711637.db2.gz	NKAAAPKOIBCVAK-UHFFFAOYSA-N	0	3	312.417	2.532	20	30		DFEDHN
Cc1cc(C#N)ccc1CNC1(C(N)=O)C2CC3CC(C2)CC1C3	ZINC000590973064	398711964	/nfs/dbraw/zinc/71/19/64/398711964.db2.gz	WOUYHMUMSQSCRZ-UHFFFAOYSA-N	0	3	323.440	2.637	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000593990783	398715540	/nfs/dbraw/zinc/71/55/40/398715540.db2.gz	RDEBIMLJJWPVKI-IIDMSEBBSA-N	0	3	313.445	2.582	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000593989560	398715596	/nfs/dbraw/zinc/71/55/96/398715596.db2.gz	UIKVVFYTONGIOT-MAUKXSAKSA-N	0	3	313.445	2.680	20	30		DFEDHN
CC[C@H](N[C@H](C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000591024250	398716191	/nfs/dbraw/zinc/71/61/91/398716191.db2.gz	HQOOSDNMGWYKLQ-HIFRSBDPSA-N	0	3	303.406	2.544	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1	ZINC000597904264	398717317	/nfs/dbraw/zinc/71/73/17/398717317.db2.gz	GIPPSNQSSBNADV-INIZCTEOSA-N	0	3	311.429	2.587	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCSC[C@@H]1C1CC1	ZINC000591039262	398718497	/nfs/dbraw/zinc/71/84/97/398718497.db2.gz	YVASHIAKWMYZES-MRXNPFEDSA-N	0	3	315.442	2.714	20	30		DFEDHN
CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000277053918	213266005	/nfs/dbraw/zinc/26/60/05/213266005.db2.gz	VEQAWTMGRAOKFJ-BYCMXARLSA-N	0	3	319.405	2.642	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](N2CCCC2=O)CC1	ZINC000591053785	398719643	/nfs/dbraw/zinc/71/96/43/398719643.db2.gz	WJTMJSGNTWHVMS-SFHVURJKSA-N	0	3	311.429	2.844	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN(C)Cc2ccc(C#N)cc2)c1	ZINC000046835918	398720210	/nfs/dbraw/zinc/72/02/10/398720210.db2.gz	OCGXGUZEZRTZHD-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000597920900	398721335	/nfs/dbraw/zinc/72/13/35/398721335.db2.gz	CHNBDHIHFMEACG-IRXDYDNUSA-N	0	3	313.445	2.748	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)C(=O)CCCCC#N)c1	ZINC000594012765	398720943	/nfs/dbraw/zinc/72/09/43/398720943.db2.gz	NXBBQUKQWOGMLK-UHFFFAOYSA-N	0	3	317.433	2.669	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000597924474	398722032	/nfs/dbraw/zinc/72/20/32/398722032.db2.gz	SEHFNJWRDYSORQ-LBPRGKRZSA-N	0	3	305.809	2.814	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@@H](OC3CCC3)C2)c1	ZINC000594026269	398724656	/nfs/dbraw/zinc/72/46/56/398724656.db2.gz	HXXLVPPKBZOPQW-GOSISDBHSA-N	0	3	300.402	2.971	20	30		DFEDHN
C[C@H]1CCCN1C(=O)CCNC1(c2ccc(C#N)cc2)CCC1	ZINC000594031904	398726918	/nfs/dbraw/zinc/72/69/18/398726918.db2.gz	OBQZUJDVALOEGX-HNNXBMFYSA-N	0	3	311.429	2.928	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594044383	398729410	/nfs/dbraw/zinc/72/94/10/398729410.db2.gz	PIIUKUSHWNJIHO-CRAIPNDOSA-N	0	3	313.445	2.678	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN(CC3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000591146301	398731733	/nfs/dbraw/zinc/73/17/33/398731733.db2.gz	ZTBHOEWCBXPBSI-CQSZACIVSA-N	0	3	300.362	2.671	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000594058171	398734750	/nfs/dbraw/zinc/73/47/50/398734750.db2.gz	HYFMUHDCOMWHNS-UHFFFAOYSA-N	0	3	300.406	2.896	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2c(C)noc2C)CC1	ZINC000113974709	398743480	/nfs/dbraw/zinc/74/34/80/398743480.db2.gz	TYLZRWIMKKEHPM-GFCCVEGCSA-N	0	3	320.437	2.692	20	30		DFEDHN
Cn1cc(CN[C@H]2COC(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000591356381	398752088	/nfs/dbraw/zinc/75/20/88/398752088.db2.gz	MDPKPXDKLWRNEV-MRXNPFEDSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H](C#N)N(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1	ZINC000598131001	398759276	/nfs/dbraw/zinc/75/92/76/398759276.db2.gz	VXVQMXZMKLWJKO-DOTOQJQBSA-N	0	3	311.429	2.802	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1	ZINC000594195312	398763015	/nfs/dbraw/zinc/76/30/15/398763015.db2.gz	FFSMSXRAEXISDR-ZSYWTGECSA-N	0	3	323.440	2.795	20	30		DFEDHN
CC1(C)CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCN1	ZINC000591444553	398762297	/nfs/dbraw/zinc/76/22/97/398762297.db2.gz	QDLGBVQTGNTENK-UHFFFAOYSA-N	0	3	320.318	2.712	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl	ZINC000598189548	398766224	/nfs/dbraw/zinc/76/62/24/398766224.db2.gz	BFLBSKSNJNJIFF-KCJUWKMLSA-N	0	3	301.173	2.645	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@H](CNCc1cccc(C#N)c1)C1CC1	ZINC000133649899	283157597	/nfs/dbraw/zinc/15/75/97/283157597.db2.gz	WFAUVNGKVMWJGM-MRXNPFEDSA-N	0	3	315.417	2.951	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-]	ZINC000290551139	283164976	/nfs/dbraw/zinc/16/49/76/283164976.db2.gz	JLWGFPRHSICXDH-OAHLLOKOSA-N	0	3	300.362	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1	ZINC000594222645	398768550	/nfs/dbraw/zinc/76/85/50/398768550.db2.gz	YOPLFYZDFILKPM-UHFFFAOYSA-N	0	3	324.428	2.624	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC[C@H]1C	ZINC000594234371	398770403	/nfs/dbraw/zinc/77/04/03/398770403.db2.gz	LLTWBTDHJJUYAC-JKSUJKDBSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C2CCOCC2)CC1	ZINC000074877141	398773064	/nfs/dbraw/zinc/77/30/64/398773064.db2.gz	QCIDZOSGBFZPJC-KRWDZBQOSA-N	0	3	323.481	2.531	20	30		DFEDHN
N#Cc1csc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000598219390	398773651	/nfs/dbraw/zinc/77/36/51/398773651.db2.gz	LHQPRQJOGXWTEJ-ZDUSSCGKSA-N	0	3	303.431	2.757	20	30		DFEDHN
CCN(Cc1ccc2ccccc2c1)C(=O)[C@]1(C#N)CCNC1	ZINC000591598428	398775199	/nfs/dbraw/zinc/77/51/99/398775199.db2.gz	WSVUIBXBPJISJX-IBGZPJMESA-N	0	3	307.397	2.692	20	30		DFEDHN
CC(C)COc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1Cl	ZINC000591594408	398774723	/nfs/dbraw/zinc/77/47/23/398774723.db2.gz	WIYMEPWCVJFEKU-INIZCTEOSA-N	0	3	321.808	2.817	20	30		DFEDHN
C[C@H](NC(=O)[C@@]1(C#N)CCNC1)c1ccc(Cl)c(Cl)c1	ZINC000591592006	398774727	/nfs/dbraw/zinc/77/47/27/398774727.db2.gz	KTWNSJLWWKOWTK-LKFCYVNXSA-N	0	3	312.200	2.674	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1	ZINC000594249439	398774792	/nfs/dbraw/zinc/77/47/92/398774792.db2.gz	NFPDASVLMPRALV-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN(C(=O)[C@@]1(C#N)CCNC1)c1ccc(-c2ccccc2)cc1	ZINC000591617772	398776748	/nfs/dbraw/zinc/77/67/48/398776748.db2.gz	ALRSWFKNHKPMED-LJQANCHMSA-N	0	3	305.381	2.820	20	30		DFEDHN
N#CCSCCCN1CCC(NC(=O)CC2CCCC2)CC1	ZINC000074990577	398779138	/nfs/dbraw/zinc/77/91/38/398779138.db2.gz	ILSILCDKVCQGKV-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594289413	398779742	/nfs/dbraw/zinc/77/97/42/398779742.db2.gz	BDSTWKNGZYZVON-OAHLLOKOSA-N	0	3	311.429	2.503	20	30		DFEDHN
CCCCN(C)CCNC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594288609	398779751	/nfs/dbraw/zinc/77/97/51/398779751.db2.gz	CVVDXELTZGJQTB-OAHLLOKOSA-N	0	3	301.434	2.585	20	30		DFEDHN
Cc1ccc(-c2cccc(CNC(=O)[C@]3(C#N)CCNC3)c2)cc1	ZINC000591629849	398778020	/nfs/dbraw/zinc/77/80/20/398778020.db2.gz	MZROGUUBRUAHQR-FQEVSTJZSA-N	0	3	319.408	2.782	20	30		DFEDHN
N#CCC1(CNC[C@H](O)COc2ccc3ccccc3c2)CC1	ZINC000591764332	398785591	/nfs/dbraw/zinc/78/55/91/398785591.db2.gz	FAKORDHTAQWEHC-KRWDZBQOSA-N	0	3	310.397	2.863	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C)O1	ZINC000598297042	398786674	/nfs/dbraw/zinc/78/66/74/398786674.db2.gz	SWSLCZVCFYMGDC-HLLBOEOZSA-N	0	3	300.402	2.785	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000594390700	398791215	/nfs/dbraw/zinc/79/12/15/398791215.db2.gz	YQIJDTYNZADHAG-UHFFFAOYSA-N	0	3	317.408	2.573	20	30		DFEDHN
N#Cc1ccc(C2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC2)cc1	ZINC000594403780	398793839	/nfs/dbraw/zinc/79/38/39/398793839.db2.gz	OBIWMUOWPJQEJZ-SFHVURJKSA-N	0	3	323.440	2.928	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000598343401	398796124	/nfs/dbraw/zinc/79/61/24/398796124.db2.gz	UGXNKVZKQQIMEH-INIZCTEOSA-N	0	3	317.408	2.575	20	30		DFEDHN
CCOc1ccc(OCC)c(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594426793	398797753	/nfs/dbraw/zinc/79/77/53/398797753.db2.gz	RZJUXBKNNWQJAH-CQSZACIVSA-N	0	3	319.405	2.834	20	30		DFEDHN
CCOc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594426428	398798109	/nfs/dbraw/zinc/79/81/09/398798109.db2.gz	CUPFAUJXIGONKF-XJKSGUPXSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCSc2ccc(F)cc21	ZINC000594429495	398798690	/nfs/dbraw/zinc/79/86/90/398798690.db2.gz	QOENAYSCOTWDGW-KBPBESRZSA-N	0	3	321.421	2.890	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCCSc1ccc(F)cc1	ZINC000594428609	398798710	/nfs/dbraw/zinc/79/87/10/398798710.db2.gz	ZVTOECNAMZAPPO-OAHLLOKOSA-N	0	3	323.437	2.835	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1	ZINC000594428470	398798876	/nfs/dbraw/zinc/79/88/76/398798876.db2.gz	YSIMAMSRGZMFRM-SJORKVTESA-N	0	3	317.433	2.920	20	30		DFEDHN
CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H](C)C#N	ZINC000598356654	398799052	/nfs/dbraw/zinc/79/90/52/398799052.db2.gz	UBVYWNGMNYYREJ-ZBFHGGJFSA-N	0	3	317.408	2.798	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C(=O)[C@H](N)CCCCC#N	ZINC000594429476	398798737	/nfs/dbraw/zinc/79/87/37/398798737.db2.gz	QFOFSMULIYLMNR-OAHLLOKOSA-N	0	3	323.824	2.588	20	30		DFEDHN
CC(C)N(Cc1ccccc1F)C(=O)[C@H](N)CCCCC#N	ZINC000594429744	398799525	/nfs/dbraw/zinc/79/95/25/398799525.db2.gz	WCJOXDRFRHFBPU-MRXNPFEDSA-N	0	3	305.397	2.974	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1	ZINC000594433024	398800617	/nfs/dbraw/zinc/80/06/17/398800617.db2.gz	JODFTHQJSZQLFM-AWEZNQCLSA-N	0	3	319.380	2.964	20	30		DFEDHN
Cc1cccc(C(C)(C)CNC(=O)[C@H](N)CCCCC#N)c1	ZINC000594432183	398800759	/nfs/dbraw/zinc/80/07/59/398800759.db2.gz	ZHVMJOQOYIAJTG-MRXNPFEDSA-N	0	3	301.434	2.800	20	30		DFEDHN
Cc1cnc(-c2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)o1	ZINC000594433189	398800516	/nfs/dbraw/zinc/80/05/16/398800516.db2.gz	CYKGOAPOIVBYFS-HNNXBMFYSA-N	0	3	312.373	3.000	20	30		DFEDHN
COc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1Cl	ZINC000594432748	398800532	/nfs/dbraw/zinc/80/05/32/398800532.db2.gz	GGOVORKQDQCADY-ZDUSSCGKSA-N	0	3	309.797	2.723	20	30		DFEDHN
Cc1coc(-c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)n1	ZINC000594434213	398801134	/nfs/dbraw/zinc/80/11/34/398801134.db2.gz	XUTLMYVOQZRZOE-OAHLLOKOSA-N	0	3	312.373	3.000	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	ZINC000594435777	398801201	/nfs/dbraw/zinc/80/12/01/398801201.db2.gz	DELOJKXKCCLMJA-OIISXLGYSA-N	0	3	317.408	2.989	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C12CCCC2	ZINC000594434376	398801468	/nfs/dbraw/zinc/80/14/68/398801468.db2.gz	YLOPLCGNGFTKBQ-HRCADAONSA-N	0	3	321.465	2.594	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3nc(C)ccc3c2)CC1	ZINC000178525738	198883122	/nfs/dbraw/zinc/88/31/22/198883122.db2.gz	AAKISOBKBZDNRO-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
N#Cc1nccnc1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1	ZINC000378614671	283255351	/nfs/dbraw/zinc/25/53/51/283255351.db2.gz	HEAAVVDWGFRKLV-SJORKVTESA-N	0	3	319.412	2.592	20	30		DFEDHN
CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000594437505	398802081	/nfs/dbraw/zinc/80/20/81/398802081.db2.gz	LVFUKZIAUMTVDJ-IRXDYDNUSA-N	0	3	301.434	2.925	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1c(F)cccc1N1CCCC1	ZINC000594438908	398802101	/nfs/dbraw/zinc/80/21/01/398802101.db2.gz	QSGGBEDRFMWLKD-AWEZNQCLSA-N	0	3	318.396	2.776	20	30		DFEDHN
Cc1nc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)sc1C	ZINC000594437922	398802356	/nfs/dbraw/zinc/80/23/56/398802356.db2.gz	GATSWYJEUQZSKF-GFCCVEGCSA-N	0	3	308.451	2.523	20	30		DFEDHN
Cc1nc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)cs1	ZINC000594438786	398802400	/nfs/dbraw/zinc/80/24/00/398802400.db2.gz	XDARWHBEJUHKGH-GXTWGEPZSA-N	0	3	306.435	2.526	20	30		DFEDHN
CCn1c2ccc(F)cc2nc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594442419	398802874	/nfs/dbraw/zinc/80/28/74/398802874.db2.gz	FRXAASOGGMGKJU-LBPRGKRZSA-N	0	3	317.368	2.545	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H](N)CCCCC#N	ZINC000594439884	398803366	/nfs/dbraw/zinc/80/33/66/398803366.db2.gz	RVPDQCDKKHNAKZ-CVEARBPZSA-N	0	3	315.417	2.600	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000594444128	398804019	/nfs/dbraw/zinc/80/40/19/398804019.db2.gz	LDSHXDOLDVAEET-NVXWUHKLSA-N	0	3	317.408	2.628	20	30		DFEDHN
Cc1ccc(C[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594442921	398804167	/nfs/dbraw/zinc/80/41/67/398804167.db2.gz	CXWFOCPFJMDNOZ-DOTOQJQBSA-N	0	3	301.434	2.796	20	30		DFEDHN
CCCN(CCc1cccs1)C(=O)[C@@H](N)CCCCC#N	ZINC000594443506	398804190	/nfs/dbraw/zinc/80/41/90/398804190.db2.gz	PZPUOUJXGKPRRD-HNNXBMFYSA-N	0	3	307.463	2.940	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1	ZINC000594443541	398804263	/nfs/dbraw/zinc/80/42/63/398804263.db2.gz	RANAYOMEQZJKBD-OAHLLOKOSA-N	0	3	321.371	2.524	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(C)c1	ZINC000594446380	398804610	/nfs/dbraw/zinc/80/46/10/398804610.db2.gz	RZJKSFJJEWDCKJ-NVXWUHKLSA-N	0	3	317.433	2.680	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000594444132	398803769	/nfs/dbraw/zinc/80/37/69/398803769.db2.gz	LDSHXDOLDVAEET-WBVHZDCISA-N	0	3	317.408	2.628	20	30		DFEDHN
N#Cc1ccc(C2(NC(=O)c3ccc4c(c3)CNC4)CCC2)cc1	ZINC000594451193	398805451	/nfs/dbraw/zinc/80/54/51/398805451.db2.gz	YJJQMHFFEIKZDM-UHFFFAOYSA-N	0	3	317.392	2.971	20	30		DFEDHN
Cc1cc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)[nH]1	ZINC000150962099	283272476	/nfs/dbraw/zinc/27/24/76/283272476.db2.gz	QYBUIRVJWKVGKL-UHFFFAOYSA-N	0	3	324.428	2.707	20	30		DFEDHN
CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)CC[C@@H]1C(F)(F)F	ZINC000594456514	398806572	/nfs/dbraw/zinc/80/65/72/398806572.db2.gz	PLLISNYKOPWXMP-RYUDHWBXSA-N	0	3	319.371	2.835	20	30		DFEDHN
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594456384	398806581	/nfs/dbraw/zinc/80/65/81/398806581.db2.gz	OCEZTBRFAWZVMG-MNOVXSKESA-N	0	3	305.344	2.587	20	30		DFEDHN
C=CCOc1cccc(CNCC2(C(=O)NCC)CCC2)c1	ZINC000276768263	213097683	/nfs/dbraw/zinc/09/76/83/213097683.db2.gz	AXVUEKNKGVQSBJ-UHFFFAOYSA-N	0	3	302.418	2.647	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1	ZINC000179371578	199023027	/nfs/dbraw/zinc/02/30/27/199023027.db2.gz	ABIARCBPFLTILM-QGZVFWFLSA-N	0	3	315.413	2.674	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(CCCCC#N)n2)cc1	ZINC000594534432	398817437	/nfs/dbraw/zinc/81/74/37/398817437.db2.gz	YOMKWYPAEYKYJJ-UHFFFAOYSA-N	0	3	314.389	2.913	20	30		DFEDHN
CCCN(CCOC[C@H]1CCCO1)Cc1ccc(C#N)cc1	ZINC000152162881	283312011	/nfs/dbraw/zinc/31/20/11/283312011.db2.gz	HGCTVSGLWNAAJS-GOSISDBHSA-N	0	3	302.418	2.966	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1C[C@@H](C)S[C@H](C)C1	ZINC000075893135	398827947	/nfs/dbraw/zinc/82/79/47/398827947.db2.gz	LLVGTHNZENDJNL-CHWSQXEVSA-N	0	3	306.431	2.771	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC1CCN([C@H]2CCOC2)CC1	ZINC000594605392	398830459	/nfs/dbraw/zinc/83/04/59/398830459.db2.gz	LZAJMWBUGXBJBA-INIZCTEOSA-N	0	3	315.417	2.622	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000594612443	398833341	/nfs/dbraw/zinc/83/33/41/398833341.db2.gz	KYJBIBGJEJQNGZ-UHFFFAOYSA-N	0	3	311.433	2.512	20	30		DFEDHN
C[C@]1(C(F)F)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000598571376	398833366	/nfs/dbraw/zinc/83/33/66/398833366.db2.gz	GUTLTAQFODQQII-WMLDXEAASA-N	0	3	322.355	2.642	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H](C3CC3)[C@H]3CCCCO3)n2c1	ZINC000594614931	398834178	/nfs/dbraw/zinc/83/41/78/398834178.db2.gz	MRDQDXBDMPQFOF-AEFFLSMTSA-N	0	3	310.401	2.643	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1	ZINC000594607226	398830771	/nfs/dbraw/zinc/83/07/71/398830771.db2.gz	RJPUDIJHVZQPAW-QGZVFWFLSA-N	0	3	321.428	2.964	20	30		DFEDHN
CC1CCC(N(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)CC1	ZINC000052103967	398832137	/nfs/dbraw/zinc/83/21/37/398832137.db2.gz	KXSRFWBNHAULOU-LEHRNKBSSA-N	0	3	303.450	2.838	20	30		DFEDHN
CCN(Cc1ccc(OC)cc1OC)C[C@@H](O)CC(C)(C)C#N	ZINC000598586350	398835769	/nfs/dbraw/zinc/83/57/69/398835769.db2.gz	GLMTXGNVSSTFRW-HNNXBMFYSA-N	0	3	320.433	2.826	20	30		DFEDHN
COc1cc(C)c(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598584391	398835876	/nfs/dbraw/zinc/83/58/76/398835876.db2.gz	LHJNOMBLECHDCI-HNNXBMFYSA-N	0	3	320.433	2.745	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(OCc2ccccc2)CC1	ZINC000598585143	398835979	/nfs/dbraw/zinc/83/59/79/398835979.db2.gz	UHBQRDWQXGICQB-QGZVFWFLSA-N	0	3	316.445	2.968	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1	ZINC000598585467	398836149	/nfs/dbraw/zinc/83/61/49/398836149.db2.gz	DNMSXMAREPQLAK-ZWKOTPCHSA-N	0	3	316.445	2.968	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C[C@H](O)CC(C)(C)C#N	ZINC000598584051	398836163	/nfs/dbraw/zinc/83/61/63/398836163.db2.gz	AFAXUNFQKQBWMT-CYBMUJFWSA-N	0	3	310.825	2.951	20	30		DFEDHN
Cc1ccnc(OC2CCN(C[C@@H](O)CC(C)(C)C#N)CC2)c1	ZINC000598600944	398839346	/nfs/dbraw/zinc/83/93/46/398839346.db2.gz	CFFWQQSPGCILRL-HNNXBMFYSA-N	0	3	317.433	2.534	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](CCO)c1ccc(Cl)cc1	ZINC000598615790	398841193	/nfs/dbraw/zinc/84/11/93/398841193.db2.gz	FWAVQSANCVXVQY-GJZGRUSLSA-N	0	3	310.825	2.654	20	30		DFEDHN
C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1	ZINC000180064079	199114324	/nfs/dbraw/zinc/11/43/24/199114324.db2.gz	GQAVUXKAOMSLPL-CQSZACIVSA-N	0	3	310.401	2.570	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCCC1	ZINC000594688468	398842805	/nfs/dbraw/zinc/84/28/05/398842805.db2.gz	WDNIJCMRWUCNFQ-HNNXBMFYSA-N	0	3	306.454	2.634	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000598617795	398842167	/nfs/dbraw/zinc/84/21/67/398842167.db2.gz	VUNFPHHWRLKTSH-HNNXBMFYSA-N	0	3	319.424	2.639	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CCC(Cc2ccccc2)CC1	ZINC000052635420	398848478	/nfs/dbraw/zinc/84/84/78/398848478.db2.gz	ABJZFFSNEJVHCD-MRXNPFEDSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC[C@@H](C)Oc1cc(CNC[C@H](O)CC(C)(C)C#N)ccn1	ZINC000598725268	398862413	/nfs/dbraw/zinc/86/24/13/398862413.db2.gz	WUNFNFKHDXVVDN-UKRRQHHQSA-N	0	3	305.422	2.649	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1nc2ccccc2n1C1CC1	ZINC000598725659	398862912	/nfs/dbraw/zinc/86/29/12/398862912.db2.gz	YPZHRUGRQILQKS-CQSZACIVSA-N	0	3	312.417	2.762	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CN(C)CCO2)cc1	ZINC000180487124	199165267	/nfs/dbraw/zinc/16/52/67/199165267.db2.gz	ZZAZNFODFXJKIH-WMLDXEAASA-N	0	3	324.852	2.799	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598716197	398860427	/nfs/dbraw/zinc/86/04/27/398860427.db2.gz	ZYAGQTWSHYLOPK-INIZCTEOSA-N	0	3	317.433	2.671	20	30		DFEDHN
CCN(CC)[C@@H](CNC[C@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598719812	398861034	/nfs/dbraw/zinc/86/10/34/398861034.db2.gz	JEOUVUZEDRPSKY-CABCVRRESA-N	0	3	307.438	2.553	20	30		DFEDHN
CN(CCNC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000053349412	398868920	/nfs/dbraw/zinc/86/89/20/398868920.db2.gz	RFJJPAMIASEFSV-UHFFFAOYSA-N	0	3	321.424	2.739	20	30		DFEDHN
N#CC1(c2ccc(CN[C@@H]3c4ccccc4C[C@@H]3O)cc2)CC1	ZINC000594923253	398872543	/nfs/dbraw/zinc/87/25/43/398872543.db2.gz	HGIPUPQEFTXMNP-RBUKOAKNSA-N	0	3	304.393	2.990	20	30		DFEDHN
C[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NCc1ccco1	ZINC000594922491	398872579	/nfs/dbraw/zinc/87/25/79/398872579.db2.gz	GGOAYAGAJCLIPY-AWEZNQCLSA-N	0	3	323.396	2.629	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](CO)C(C)C	ZINC000180619112	199185753	/nfs/dbraw/zinc/18/57/53/199185753.db2.gz	QQYJQAHXMAEGBN-CQSZACIVSA-N	0	3	308.447	2.510	20	30		DFEDHN
CC[C@H](COC)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000594920901	398871646	/nfs/dbraw/zinc/87/16/46/398871646.db2.gz	ITFIKVWWBKLACH-QGZVFWFLSA-N	0	3	312.417	2.978	20	30		DFEDHN
CC(C)(CCNCc1ccc(C2(C#N)CC2)cc1)S(C)(=O)=O	ZINC000594946861	398878838	/nfs/dbraw/zinc/87/88/38/398878838.db2.gz	SZFRMZUQUAKFGG-UHFFFAOYSA-N	0	3	320.458	2.545	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NC(=O)C2Oc3ccccc3O[C@@H]2C)n1	ZINC000598854405	398884667	/nfs/dbraw/zinc/88/46/67/398884667.db2.gz	RNVBIPOQWDUDNM-MLGOLLRUSA-N	0	3	323.352	2.737	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc(C#N)cc2F)cn1	ZINC000594977918	398885858	/nfs/dbraw/zinc/88/58/58/398885858.db2.gz	CLSKVBLNZJOTJR-CRAIPNDOSA-N	0	3	312.392	2.932	20	30		DFEDHN
COc1ccccc1N1CCC(NCc2cccc(C#N)n2)CC1	ZINC000598912134	398892230	/nfs/dbraw/zinc/89/22/30/398892230.db2.gz	GBLDXBIJFPVOCV-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O	ZINC000281999181	334988635	/nfs/dbraw/zinc/98/86/35/334988635.db2.gz	NJGMRSHANZGYJQ-KRWDZBQOSA-N	0	3	324.428	2.529	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@@H]2CCC[C@@H]21	ZINC000077316998	398898199	/nfs/dbraw/zinc/89/81/99/398898199.db2.gz	YMEHSPPIZHCIGG-JKSUJKDBSA-N	0	3	316.401	2.589	20	30		DFEDHN
C[C@@H](NCCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1F	ZINC000595060732	398899601	/nfs/dbraw/zinc/89/96/01/398899601.db2.gz	OPFDJCWGVHPYRW-GFCCVEGCSA-N	0	3	324.421	2.563	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(C(=O)OC(C)(C)C)s1	ZINC000598974632	398901159	/nfs/dbraw/zinc/90/11/59/398901159.db2.gz	RUBDAFSXRKBORX-LBPRGKRZSA-N	0	3	311.447	2.978	20	30		DFEDHN
Cc1cccc2c1C[C@@H](NCc1cnc3ccc(C#N)cn13)CO2	ZINC000598987211	398903590	/nfs/dbraw/zinc/90/35/90/398903590.db2.gz	PSDARNCRWSFTLO-OAHLLOKOSA-N	0	3	318.380	2.608	20	30		DFEDHN
C[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)N(C)C	ZINC000187174371	200071458	/nfs/dbraw/zinc/07/14/58/200071458.db2.gz	CMOSHBXYHUSCKV-QRWLVFNGSA-N	0	3	321.424	2.908	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000054719247	398907752	/nfs/dbraw/zinc/90/77/52/398907752.db2.gz	YDRIXIZJEUFECK-HLLBOEOZSA-N	0	3	314.433	2.623	20	30		DFEDHN
CN(CCNCc1ccc(C#N)cc1C(F)(F)F)CC(F)F	ZINC000599023988	398909398	/nfs/dbraw/zinc/90/93/98/398909398.db2.gz	XACSAILKERPAQI-UHFFFAOYSA-N	0	3	321.293	2.864	20	30		DFEDHN
C=CCCSCCNC(=O)Nc1ccc2c(c1)CNCC2	ZINC000595232994	398911470	/nfs/dbraw/zinc/91/14/70/398911470.db2.gz	OMGSKWQLKYPPHN-UHFFFAOYSA-N	0	3	305.447	2.763	20	30		DFEDHN
N#CC1(CC(=O)N2CCc3ccccc3[C@H]2CN)CCCCC1	ZINC000595251705	398912546	/nfs/dbraw/zinc/91/25/46/398912546.db2.gz	WFUGBXMIDFMOQL-QGZVFWFLSA-N	0	3	311.429	2.935	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1	ZINC000599053370	398914091	/nfs/dbraw/zinc/91/40/91/398914091.db2.gz	GRZCAZBWFZXSDO-ROUUACIJSA-N	0	3	314.429	2.950	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000054981051	398915280	/nfs/dbraw/zinc/91/52/80/398915280.db2.gz	AREAXBQEODLOKJ-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@H](OCc3ccncc3)C2)c1	ZINC000281091554	216074005	/nfs/dbraw/zinc/07/40/05/216074005.db2.gz	VGEQKDCQUIOYCF-IBGZPJMESA-N	0	3	323.396	2.623	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)[C@@H]1CCOC1	ZINC000595297137	398919129	/nfs/dbraw/zinc/91/91/29/398919129.db2.gz	PRRWMUIYQLRXGG-QZTJIDSGSA-N	0	3	300.402	2.598	20	30		DFEDHN
COCCCOC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595325543	398922431	/nfs/dbraw/zinc/92/24/31/398922431.db2.gz	JCQXJUPZVWREEL-UHFFFAOYSA-N	0	3	302.418	2.618	20	30		DFEDHN
N#Cc1ccc(CCN2CCC([C@H](O)C(F)(F)F)CC2)cc1	ZINC000595345472	398925138	/nfs/dbraw/zinc/92/51/38/398925138.db2.gz	PZAIFFVSTGVUPV-HNNXBMFYSA-N	0	3	312.335	2.736	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)n2)CC1	ZINC000188891083	200317494	/nfs/dbraw/zinc/31/74/94/200317494.db2.gz	BOSVMJLYQHELJV-UHFFFAOYSA-N	0	3	312.200	2.672	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1	ZINC000599149720	398929581	/nfs/dbraw/zinc/92/95/81/398929581.db2.gz	UXKUQQNMBAJYGC-FUHWJXTLSA-N	0	3	318.465	2.729	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(COc3ccccc3)CC2)C1=O	ZINC000281930311	334991416	/nfs/dbraw/zinc/99/14/16/334991416.db2.gz	IACOKGBJDSXZPK-SFHVURJKSA-N	0	3	314.429	2.564	20	30		DFEDHN
CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1	ZINC000281177424	216132119	/nfs/dbraw/zinc/13/21/19/216132119.db2.gz	HIWBEFRZPVNGJY-SFHVURJKSA-N	0	3	324.428	2.960	20	30		DFEDHN
CC[C@@H](CC(F)F)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000595435617	398937717	/nfs/dbraw/zinc/93/77/17/398937717.db2.gz	RZFHKYGXSZNKDF-ZDUSSCGKSA-N	0	3	308.376	2.757	20	30		DFEDHN
CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1ccccc1Cl	ZINC000190683198	200574145	/nfs/dbraw/zinc/57/41/45/200574145.db2.gz	LXZQNLKTKMCYTK-QGZVFWFLSA-N	0	3	316.836	2.943	20	30		DFEDHN
CCCN(CCOC1CCOCC1)Cc1ccc(C#N)cc1	ZINC000599264271	398944745	/nfs/dbraw/zinc/94/47/45/398944745.db2.gz	RPQIJAVUHCWTMU-UHFFFAOYSA-N	0	3	302.418	2.966	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)CC1	ZINC000599270188	398945583	/nfs/dbraw/zinc/94/55/83/398945583.db2.gz	BXYQOMZICPNUHW-MSOLQXFVSA-N	0	3	314.429	2.722	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000595479062	398947060	/nfs/dbraw/zinc/94/70/60/398947060.db2.gz	JSQXQQGDUXMASW-GBESFXJTSA-N	0	3	314.429	2.617	20	30		DFEDHN
COc1cc(CN(C)C[C@H](O)CC2(C#N)CC2)ccc1SC	ZINC000599276107	398946578	/nfs/dbraw/zinc/94/65/78/398946578.db2.gz	ZVDQPFVSWIUGOT-CQSZACIVSA-N	0	3	320.458	2.904	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCC1(CN[C@@H]2CCC[C@@H]2C#N)CCC1	ZINC000595481439	398947091	/nfs/dbraw/zinc/94/70/91/398947091.db2.gz	HCOGHJSSOWKRKM-WNKDZCFJSA-N	0	3	300.450	2.720	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599300483	398950555	/nfs/dbraw/zinc/95/05/55/398950555.db2.gz	ZVMGTUIDEXBCNM-YJBOKZPZSA-N	0	3	314.429	2.505	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cc(F)ccc1F	ZINC000599346751	398957786	/nfs/dbraw/zinc/95/77/86/398957786.db2.gz	DNMKCUHNHHUETF-GXTWGEPZSA-N	0	3	324.371	2.687	20	30		DFEDHN
C=CCc1cc(CN[C@H](C)Cn2cccn2)cc(OC)c1O	ZINC000271927607	209330486	/nfs/dbraw/zinc/33/04/86/209330486.db2.gz	LQQJLLPTXDZDJX-CYBMUJFWSA-N	0	3	301.390	2.504	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(C#N)c1	ZINC000599349740	398958669	/nfs/dbraw/zinc/95/86/69/398958669.db2.gz	RKXYYUUKHBTXOO-KSSFIOAISA-N	0	3	321.380	2.520	20	30		DFEDHN
CC(=O)N(C[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1)C1CC1	ZINC000599373610	398966984	/nfs/dbraw/zinc/96/69/84/398966984.db2.gz	BWYLMSKJVFSESO-IBGZPJMESA-N	0	3	311.429	2.842	20	30		DFEDHN
COC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000599395371	398972465	/nfs/dbraw/zinc/97/24/65/398972465.db2.gz	HLMAHZICLUAIAN-LSDHHAIUSA-N	0	3	308.809	2.672	20	30		DFEDHN
Cc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C#N	ZINC000599410637	398975513	/nfs/dbraw/zinc/97/55/13/398975513.db2.gz	MZPXWHHLUJRRKI-KBPBESRZSA-N	0	3	300.324	2.904	20	30		DFEDHN
COC1CCN(CCNc2nc(C(C)(C)C)ccc2C#N)CC1	ZINC000613427229	398980616	/nfs/dbraw/zinc/98/06/16/398980616.db2.gz	XBAGWAUFQZCCGH-UHFFFAOYSA-N	0	3	316.449	2.773	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C#N	ZINC000599431791	398981029	/nfs/dbraw/zinc/98/10/29/398981029.db2.gz	FNZQHYJSINCOAK-MRXNPFEDSA-N	0	3	313.445	2.980	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CCCOC1	ZINC000600164573	398981891	/nfs/dbraw/zinc/98/18/91/398981891.db2.gz	IAPLRICGGHOFQT-IAGOWNOFSA-N	0	3	300.402	2.692	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000595609027	398996891	/nfs/dbraw/zinc/99/68/91/398996891.db2.gz	FGYKOFSNSODTPJ-DLBZAZTESA-N	0	3	302.418	2.669	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195303631	201374517	/nfs/dbraw/zinc/37/45/17/201374517.db2.gz	WBIUYXQFWROHRZ-XHSDSOJGSA-N	0	3	301.434	2.660	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1	ZINC000595609728	398997207	/nfs/dbraw/zinc/99/72/07/398997207.db2.gz	OHHOUTVBBHNMAW-UKRRQHHQSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(Oc3cccc(F)c3)CC2)CC1	ZINC000599507064	398997258	/nfs/dbraw/zinc/99/72/58/398997258.db2.gz	NHLCFAUCSOYTEF-HNNXBMFYSA-N	0	3	318.392	2.724	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1	ZINC000595609028	398997908	/nfs/dbraw/zinc/99/79/08/398997908.db2.gz	FGYKOFSNSODTPJ-IAGOWNOFSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000595615871	399002263	/nfs/dbraw/zinc/00/22/63/399002263.db2.gz	OHIZXGYKVFVKMW-CYBMUJFWSA-N	0	3	316.361	2.549	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000246243708	202575630	/nfs/dbraw/zinc/57/56/30/202575630.db2.gz	GJUIFKUIMIGVQW-JKIFEVAISA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CCc1nccs1)C(C)C	ZINC000056969095	399004240	/nfs/dbraw/zinc/00/42/40/399004240.db2.gz	WEODPGYSKWIGLD-OAHLLOKOSA-N	0	3	321.490	2.891	20	30		DFEDHN
N#Cc1ccc(Br)c(CN[C@H](CO)C2CCC2)c1	ZINC000595617327	399004704	/nfs/dbraw/zinc/00/47/04/399004704.db2.gz	RSGAIKIMDFCLBF-CQSZACIVSA-N	0	3	309.207	2.571	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)CCC#N	ZINC000595628311	399009500	/nfs/dbraw/zinc/00/95/00/399009500.db2.gz	JKQYPNUAZHPFAX-OAHLLOKOSA-N	0	3	308.470	2.736	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CC[C@H](c4ccc(O)cc4)C3)n2c1	ZINC000600214506	399010097	/nfs/dbraw/zinc/01/00/97/399010097.db2.gz	RRUZLJOGNVGYSY-INIZCTEOSA-N	0	3	318.380	2.901	20	30		DFEDHN
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)c(OC)c2)C1	ZINC000281740599	216512003	/nfs/dbraw/zinc/51/20/03/216512003.db2.gz	QJXKPWHPOVSSFL-WCJKSRRJSA-N	0	3	320.458	2.736	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NCC1(N(C)C)CCC1	ZINC000275447245	212338947	/nfs/dbraw/zinc/33/89/47/212338947.db2.gz	LDPKASQCXGSYDY-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000271802580	209228666	/nfs/dbraw/zinc/22/86/66/209228666.db2.gz	KJRMUKCSOLLFOZ-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000595655490	399022151	/nfs/dbraw/zinc/02/21/51/399022151.db2.gz	FFABFXLMFPGRGY-GJZGRUSLSA-N	0	3	311.495	2.612	20	30		DFEDHN
N#CCSCCCN1CCN(c2cccc3[nH]ccc32)CC1	ZINC000599626678	399033845	/nfs/dbraw/zinc/03/38/45/399033845.db2.gz	YOFCUOHZIGQWGT-UHFFFAOYSA-N	0	3	314.458	2.937	20	30		DFEDHN
C[C@@H]1COC2(CCC2)CN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000595679955	399032857	/nfs/dbraw/zinc/03/28/57/399032857.db2.gz	FQWWZFQKVNBJHB-CQSZACIVSA-N	0	3	313.401	2.530	20	30		DFEDHN
C[C@@H](CN(C)CC(=O)N(CCC#N)CCC#N)C1CCCCC1	ZINC000599633648	399036696	/nfs/dbraw/zinc/03/66/96/399036696.db2.gz	ZUEGGQLLRNUTDH-INIZCTEOSA-N	0	3	318.465	2.791	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1C#N	ZINC000618194608	399039773	/nfs/dbraw/zinc/03/97/73/399039773.db2.gz	HQZSLPBFXZPYOA-GOSISDBHSA-N	0	3	311.429	2.747	20	30		DFEDHN
C/C=C\C[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000599690273	399065300	/nfs/dbraw/zinc/06/53/00/399065300.db2.gz	MRVRTBUOIBBPFE-KVLZDYKBSA-N	0	3	311.429	2.853	20	30		DFEDHN
COC(=O)C1C[C@@H](C)N(CCOc2ccc(C#N)cc2)[C@H](C)C1	ZINC000599703469	399070329	/nfs/dbraw/zinc/07/03/29/399070329.db2.gz	BIGANERFKXEIGJ-ZIAGYGMSSA-N	0	3	316.401	2.599	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H](O)COCc3ccccc3)CC2)c1	ZINC000271761855	209192625	/nfs/dbraw/zinc/19/26/25/209192625.db2.gz	HWQYDLBSOSXUCE-IBGZPJMESA-N	0	3	322.408	2.715	20	30		DFEDHN
COC(=O)C1C[C@@H](C)N(CCOc2cccc(C#N)c2)[C@H](C)C1	ZINC000599709184	399072976	/nfs/dbraw/zinc/07/29/76/399072976.db2.gz	PYTAQTXPQXTFTK-ZIAGYGMSSA-N	0	3	316.401	2.599	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@@H]2NCc2cccc(F)c2C#N)cn1	ZINC000595767220	399077096	/nfs/dbraw/zinc/07/70/96/399077096.db2.gz	ANOXLDGYRUETGD-KDOFPFPSSA-N	0	3	312.392	2.932	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N2CCCC2)CC1	ZINC000172395230	399078186	/nfs/dbraw/zinc/07/81/86/399078186.db2.gz	VQMPNCUPHWAZGU-HNNXBMFYSA-N	0	3	311.429	2.954	20	30		DFEDHN
C=CCC1(NCCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000595780577	399081267	/nfs/dbraw/zinc/08/12/67/399081267.db2.gz	VRLOLAZPGQKSQX-UHFFFAOYSA-N	0	3	318.442	2.810	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3ccnc(C#N)c3)CC2)cc1	ZINC000299639643	284026962	/nfs/dbraw/zinc/02/69/62/284026962.db2.gz	KHHVQTHQODKKFH-UHFFFAOYSA-N	0	3	317.396	2.537	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595784264	399084175	/nfs/dbraw/zinc/08/41/75/399084175.db2.gz	JOJBMUODFHXZIL-INIZCTEOSA-N	0	3	320.481	2.880	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCc2ccc(C#N)cc2F)c1	ZINC000172621011	399086017	/nfs/dbraw/zinc/08/60/17/399086017.db2.gz	YGFWGDHDELQIFV-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
CC#CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1	ZINC000283176338	335001429	/nfs/dbraw/zinc/00/14/29/335001429.db2.gz	KYEBLMFXAGHQBK-UHFFFAOYSA-N	0	3	304.821	2.788	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1	ZINC000284339652	335011423	/nfs/dbraw/zinc/01/14/23/335011423.db2.gz	MRRHSCPDRRFGMM-LESCRADOSA-N	0	3	319.445	2.507	20	30		DFEDHN
CC(CCN1CC[C@@](C)(C#N)C1)CCN1CC[C@@](C)(C#N)C1	ZINC000595841834	399109621	/nfs/dbraw/zinc/10/96/21/399109621.db2.gz	ORNHLSKVVUPUOK-ROUUACIJSA-N	0	3	302.466	2.874	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N(C)CCCN(C)Cc1ccncc1	ZINC000599944145	399114854	/nfs/dbraw/zinc/11/48/54/399114854.db2.gz	NMYAKBXYMCXETJ-UHFFFAOYSA-N	0	3	316.449	2.692	20	30		DFEDHN
CC1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000595858857	399115562	/nfs/dbraw/zinc/11/55/62/399115562.db2.gz	ZEJASLDDBPJTAK-CHEQUFIKSA-N	0	3	315.442	2.988	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000275029425	212083296	/nfs/dbraw/zinc/08/32/96/212083296.db2.gz	RVYBMLYAJSUBQR-RDJZCZTQSA-N	0	3	301.434	2.724	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H](C3CCCCC3)C2)CCC1	ZINC000595875852	399118975	/nfs/dbraw/zinc/11/89/75/399118975.db2.gz	BPVDYDARVRSJKZ-MRXNPFEDSA-N	0	3	303.450	2.841	20	30		DFEDHN
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCN(C)CC1	ZINC000599986472	399119565	/nfs/dbraw/zinc/11/95/65/399119565.db2.gz	UMFBNCHYASWXPL-UHFFFAOYSA-N	0	3	311.429	2.798	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cc3ccccc3o2)CCOCC1	ZINC000600715098	399121927	/nfs/dbraw/zinc/12/19/27/399121927.db2.gz	DYBGNJDDFOLXDB-HNNXBMFYSA-N	0	3	314.385	2.594	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(Br)s2)CC1	ZINC000600717003	399123254	/nfs/dbraw/zinc/12/32/54/399123254.db2.gz	IFHUZKXJSGCAFT-SECBINFHSA-N	0	3	315.236	2.655	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2N2CCCCC2)CC1	ZINC000600730418	399127590	/nfs/dbraw/zinc/12/75/90/399127590.db2.gz	GPTFGKGIGZXNDI-KRWDZBQOSA-N	0	3	313.445	2.821	20	30		DFEDHN
N#Cc1ccccc1OCCN1C[C@]23COC[C@@]2(C1)CCCC3	ZINC000595905178	399129295	/nfs/dbraw/zinc/12/92/95/399129295.db2.gz	PXWLOSIOJNSRMW-KDURUIRLSA-N	0	3	312.413	2.830	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000600735188	399128917	/nfs/dbraw/zinc/12/89/17/399128917.db2.gz	ISNIOFAIZLNEDS-ZYHUDNBSSA-N	0	3	310.319	2.736	20	30		DFEDHN
Cc1ccc(Br)c(CNC[C@H](O)CC2(C#N)CC2)c1	ZINC000600736822	399130307	/nfs/dbraw/zinc/13/03/07/399130307.db2.gz	RKOXKYMSZBRXMK-CYBMUJFWSA-N	0	3	323.234	2.902	20	30		DFEDHN
CN(C[C@H]1CC1(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000595907616	399130351	/nfs/dbraw/zinc/13/03/51/399130351.db2.gz	CDNHFJKADOMXPP-CHWSQXEVSA-N	0	3	303.431	2.703	20	30		DFEDHN
C=CCOCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000080246959	399131519	/nfs/dbraw/zinc/13/15/19/399131519.db2.gz	XJOSXJPICCRFOB-UHFFFAOYSA-N	0	3	320.433	2.685	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(OC(F)F)c(F)c2)CC1	ZINC000600739519	399131581	/nfs/dbraw/zinc/13/15/81/399131581.db2.gz	QFXLCRYXUDSXLT-LLVKDONJSA-N	0	3	314.307	2.571	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1	ZINC000180046051	399131921	/nfs/dbraw/zinc/13/19/21/399131921.db2.gz	DERGRDVRWCLYAH-QGZVFWFLSA-N	0	3	302.418	2.579	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cc(F)ccc2OC(F)F)CC1	ZINC000600742551	399132747	/nfs/dbraw/zinc/13/27/47/399132747.db2.gz	DPDAAMRRYCBAFO-LBPRGKRZSA-N	0	3	314.307	2.571	20	30		DFEDHN
N#Cc1cc(-c2ccc(C3(C[NH3+])CCOCC3)cc2)ccc1[O-]	ZINC000600780335	399143226	/nfs/dbraw/zinc/14/32/26/399143226.db2.gz	QXTTXOKMXJWQGD-UHFFFAOYSA-N	0	3	308.381	2.938	20	30		DFEDHN
N#Cc1cc(-c2cccc(CN3CCC([NH3+])CC3)c2)ccc1[O-]	ZINC000600779578	399143690	/nfs/dbraw/zinc/14/36/90/399143690.db2.gz	GRPGYJPWORGXPI-UHFFFAOYSA-N	0	3	307.397	2.854	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nnc(CCC)s2)CC1	ZINC000264365477	203881340	/nfs/dbraw/zinc/88/13/40/203881340.db2.gz	IHUIMPFWWGFSJI-UHFFFAOYSA-N	0	3	323.466	2.653	20	30		DFEDHN
C[C@H]1CC[C@H](C)N1CC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600782020	399144643	/nfs/dbraw/zinc/14/46/43/399144643.db2.gz	HSTIFSOJHHAQSR-GJZGRUSLSA-N	0	3	311.429	2.510	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc2c(c1)CCCO2	ZINC000595992106	399144804	/nfs/dbraw/zinc/14/48/04/399144804.db2.gz	OAJBAGDASDCDOJ-CJNGLKHVSA-N	0	3	315.417	2.600	20	30		DFEDHN
C=CCOCCCNC(=O)c1oc2ccccc2c1CN(C)C	ZINC000618523447	399144829	/nfs/dbraw/zinc/14/48/29/399144829.db2.gz	IAEFKAURPHLABV-UHFFFAOYSA-N	0	3	316.401	2.817	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000134926783	335014374	/nfs/dbraw/zinc/01/43/74/335014374.db2.gz	VKHAIUGAASBWOC-AEFFLSMTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CNC1(c2ccccc2)CCCC1)C1CC1	ZINC000183536879	399154249	/nfs/dbraw/zinc/15/42/49/399154249.db2.gz	UEPXTWHSIVZOIE-SFHVURJKSA-N	0	3	311.429	2.854	20	30		DFEDHN
C#CCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000264947681	204295607	/nfs/dbraw/zinc/29/56/07/204295607.db2.gz	JKBPZTUULDSESJ-HNNXBMFYSA-N	0	3	319.474	2.844	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1	ZINC000264930230	204278712	/nfs/dbraw/zinc/27/87/12/204278712.db2.gz	AKYIWZUTMLCMOD-GOSISDBHSA-N	0	3	309.413	2.989	20	30		DFEDHN
CC(C)(C)N1CCCN(c2nc3ncccc3cc2C#N)CC1	ZINC000596094373	399171038	/nfs/dbraw/zinc/17/10/38/399171038.db2.gz	LJVOOBGMSSOZTE-UHFFFAOYSA-N	0	3	309.417	2.812	20	30		DFEDHN
CCN1CCC(NC(=O)NC(C)(C)c2cccc(C#N)c2)CC1	ZINC000596096770	399172039	/nfs/dbraw/zinc/17/20/39/399172039.db2.gz	ACYVNLQJTLGMQX-UHFFFAOYSA-N	0	3	314.433	2.577	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000194634438	399181523	/nfs/dbraw/zinc/18/15/23/399181523.db2.gz	KOOBHQYOLLXIIA-HNNXBMFYSA-N	0	3	307.463	2.508	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596133585	399184795	/nfs/dbraw/zinc/18/47/95/399184795.db2.gz	IKCNFJGOJSSYQI-QAPCUYQASA-N	0	3	321.428	2.838	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596133583	399184815	/nfs/dbraw/zinc/18/48/15/399184815.db2.gz	IKCNFJGOJSSYQI-MAUKXSAKSA-N	0	3	321.428	2.838	20	30		DFEDHN
CCc1nc(C#N)cc(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1	ZINC000596141294	399188150	/nfs/dbraw/zinc/18/81/50/399188150.db2.gz	XQAAWQKUPIWVMX-QGZVFWFLSA-N	0	3	321.428	2.621	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2C#N)c1	ZINC000596145572	399190299	/nfs/dbraw/zinc/19/02/99/399190299.db2.gz	QITVZBWCWTYTMR-DLBZAZTESA-N	0	3	314.433	2.630	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1C#N	ZINC000266238573	205208238	/nfs/dbraw/zinc/20/82/38/205208238.db2.gz	WNPQZPWBFZRIJR-OAHLLOKOSA-N	0	3	309.369	2.835	20	30		DFEDHN
C=CCOCCCC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000266318043	205263102	/nfs/dbraw/zinc/26/31/02/205263102.db2.gz	YRQRHCIYZJSWDF-UHFFFAOYSA-N	0	3	322.424	2.699	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2ccccc2CC#N)cc1	ZINC000601001303	399200297	/nfs/dbraw/zinc/20/02/97/399200297.db2.gz	GQBDGUMVIQYIMW-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
CN(C)[C@]1(CNc2nc(Cl)c(C#N)s2)CCSC1	ZINC000288446362	220148108	/nfs/dbraw/zinc/14/81/08/220148108.db2.gz	PCVNJNLYAHQORN-NSHDSACASA-N	0	3	302.856	2.517	20	30		DFEDHN
C#CCCCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000192217844	335023883	/nfs/dbraw/zinc/02/38/83/335023883.db2.gz	NWWVMEPWWWGFPQ-OAHLLOKOSA-N	0	3	319.474	2.535	20	30		DFEDHN
CC(C)[C@H]1OCC[C@H]1CN[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000267468438	206088500	/nfs/dbraw/zinc/08/85/00/206088500.db2.gz	XABKTSHCWMZVNO-JLJPHGGASA-N	0	3	315.417	2.536	20	30		DFEDHN
C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)s1	ZINC000601153948	399242436	/nfs/dbraw/zinc/24/24/36/399242436.db2.gz	VOJBETKKKHLZBB-INIZCTEOSA-N	0	3	304.390	2.842	20	30		DFEDHN
C#CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000192098663	335025588	/nfs/dbraw/zinc/02/55/88/335025588.db2.gz	QQNFVPUWXJKJDJ-HNNXBMFYSA-N	0	3	304.459	2.880	20	30		DFEDHN
C=CCCOCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000608254396	399246760	/nfs/dbraw/zinc/24/67/60/399246760.db2.gz	XTULDXZDLMGHGQ-KRWDZBQOSA-N	0	3	316.445	2.702	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000267651366	206197501	/nfs/dbraw/zinc/19/75/01/206197501.db2.gz	ROYUSZBGNPQGPQ-UHFFFAOYSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=C(C)CN1CCC(NCc2c(OC)cccc2OC)CC1	ZINC000286306022	335034713	/nfs/dbraw/zinc/03/47/13/335034713.db2.gz	CRHPZNWACCRRHY-UHFFFAOYSA-N	0	3	304.434	2.834	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CC1	ZINC000608438196	399263686	/nfs/dbraw/zinc/26/36/86/399263686.db2.gz	KPEMVKDHHIOHCY-IEBWSBKVSA-N	0	3	313.445	2.666	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000601256578	399264898	/nfs/dbraw/zinc/26/48/98/399264898.db2.gz	TVUSRGCNFFZFQP-KRWDZBQOSA-N	0	3	323.440	2.803	20	30		DFEDHN
CC[C@@H](N[C@H](CCSC)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000352519900	269675979	/nfs/dbraw/zinc/67/59/79/269675979.db2.gz	SNWRKANPOVMCED-HZPDHXFCSA-N	0	3	319.474	2.809	20	30		DFEDHN
CCn1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1=O	ZINC000618990184	399272793	/nfs/dbraw/zinc/27/27/93/399272793.db2.gz	ZONLBTMABCLAMF-GOSISDBHSA-N	0	3	307.397	2.907	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@@H]2CCc3nccn3C2)c1	ZINC000608861113	399298836	/nfs/dbraw/zinc/29/88/36/399298836.db2.gz	UHGPMBVNBAJXLK-MRXNPFEDSA-N	0	3	310.401	2.670	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H]3C3CC3)C2=O)cc1	ZINC000619157563	399304108	/nfs/dbraw/zinc/30/41/08/399304108.db2.gz	GAOMONSXASZMDU-ZWKOTPCHSA-N	0	3	309.413	2.928	20	30		DFEDHN
CCCCN(C)CCNC(=O)c1cc2ccccc2n1CC#N	ZINC000609570144	399323253	/nfs/dbraw/zinc/32/32/53/399323253.db2.gz	DWXQXYINLBGNNE-UHFFFAOYSA-N	0	3	312.417	2.627	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000609589151	399325167	/nfs/dbraw/zinc/32/51/67/399325167.db2.gz	ISDOUPNCMKWYNZ-JOYOIKCWSA-N	0	3	312.200	2.626	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000609589152	399325329	/nfs/dbraw/zinc/32/53/29/399325329.db2.gz	ISDOUPNCMKWYNZ-SKDRFNHKSA-N	0	3	312.200	2.626	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1	ZINC000619297697	399326314	/nfs/dbraw/zinc/32/63/14/399326314.db2.gz	DLKKATMETINEIP-KBXCAEBGSA-N	0	3	318.380	2.555	20	30		DFEDHN
N#Cc1cccc(CN2CCC(C(N)=O)(c3ccccc3)CC2)c1	ZINC000609672271	399329788	/nfs/dbraw/zinc/32/97/88/399329788.db2.gz	ALWMUCFIFQDXSI-UHFFFAOYSA-N	0	3	319.408	2.577	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)o2)cc1	ZINC000619356555	399332741	/nfs/dbraw/zinc/33/27/41/399332741.db2.gz	RVHOZKQSQWBZRS-CYBMUJFWSA-N	0	3	313.744	2.803	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(CC(F)(F)F)C2)cc1	ZINC000619381882	399335484	/nfs/dbraw/zinc/33/54/84/399335484.db2.gz	GXXRAFCTXKCNET-CQSZACIVSA-N	0	3	321.302	2.651	20	30		DFEDHN
N#Cc1ccc(C(=O)N(CCN2CCCC2)c2ccccc2)nc1	ZINC000610051549	399340458	/nfs/dbraw/zinc/34/04/58/399340458.db2.gz	UKUZJBVGFQIZKU-UHFFFAOYSA-N	0	3	320.396	2.696	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N1CC[C@H](N2CC=CC2)C1	ZINC000610281816	399353233	/nfs/dbraw/zinc/35/32/33/399353233.db2.gz	KKCOJUDCGRYMLU-INIZCTEOSA-N	0	3	304.397	2.865	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC2(CCOCC2)CC1	ZINC000284795461	218180786	/nfs/dbraw/zinc/18/07/86/218180786.db2.gz	OYYDQNOALQPEOF-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1CN(C)CCO1	ZINC000619508545	399355160	/nfs/dbraw/zinc/35/51/60/399355160.db2.gz	KPFOKPUHGGHXGT-GDIGMMSISA-N	0	3	313.445	2.634	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000619508566	399355271	/nfs/dbraw/zinc/35/52/71/399355271.db2.gz	LQLKNUQTOJRMEC-PKOBYXMFSA-N	0	3	313.445	2.636	20	30		DFEDHN
COC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000610340552	399358131	/nfs/dbraw/zinc/35/81/31/399358131.db2.gz	OZKLQRXFKZDUKN-SKDRFNHKSA-N	0	3	300.280	2.669	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@@H](C)NCC2(CC#N)CC2)cc1	ZINC000619535111	399358654	/nfs/dbraw/zinc/35/86/54/399358654.db2.gz	NFVIDTGQUNYCTQ-CYBMUJFWSA-N	0	3	306.431	2.825	20	30		DFEDHN
Cc1scc(CNC[C@@H](O)CC2(C#N)CCOCC2)c1C	ZINC000601965908	399370950	/nfs/dbraw/zinc/37/09/50/399370950.db2.gz	BQUKZIPJZFUTHH-HNNXBMFYSA-N	0	3	308.447	2.526	20	30		DFEDHN
COc1cc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)ccc1C#N	ZINC000619653812	399371495	/nfs/dbraw/zinc/37/14/95/399371495.db2.gz	LPYJXSRTEOQYJL-LLVKDONJSA-N	0	3	322.368	3.000	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](c3cnn(C)c3)C2)ccc1C#N	ZINC000619674423	399374829	/nfs/dbraw/zinc/37/48/29/399374829.db2.gz	LPRUDYVLMIRCCN-MRXNPFEDSA-N	0	3	310.401	2.680	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(NCc2cccc(F)c2C#N)CC1	ZINC000602005153	399381114	/nfs/dbraw/zinc/38/11/14/399381114.db2.gz	MYHIHBZCWJUUMQ-UHFFFAOYSA-N	0	3	317.408	2.824	20	30		DFEDHN
N#Cc1c(F)cccc1CNC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602006980	399381709	/nfs/dbraw/zinc/38/17/09/399381709.db2.gz	UAYXBAWHUPSYAC-NSHDSACASA-N	0	3	315.314	2.671	20	30		DFEDHN
N#CCC[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccccc1	ZINC000602012339	399383915	/nfs/dbraw/zinc/38/39/15/399383915.db2.gz	OOHHSQBMLIUPQL-CVEARBPZSA-N	0	3	306.431	2.588	20	30		DFEDHN
CN1CC=C(CNc2ccc(Br)cc2C#N)CC1	ZINC000273716203	211000879	/nfs/dbraw/zinc/00/08/79/211000879.db2.gz	GDFCMNONPQJGQM-UHFFFAOYSA-N	0	3	306.207	2.995	20	30		DFEDHN
N#C[C@H](c1ccc(Cl)cc1)N1CCN(C2CCOCC2)CC1	ZINC000619784596	399391402	/nfs/dbraw/zinc/39/14/02/399391402.db2.gz	DKZKFEWGHORKMM-QGZVFWFLSA-N	0	3	319.836	2.701	20	30		DFEDHN
C[C@@H](CNC(=O)c1sccc1C#N)N(C)Cc1ccccc1	ZINC000110352968	194325310	/nfs/dbraw/zinc/32/53/10/194325310.db2.gz	PCNGOONCEDCWDF-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
C[C@@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C	ZINC000619844437	399396150	/nfs/dbraw/zinc/39/61/50/399396150.db2.gz	RCZOEMIBMPEIHR-KBPBESRZSA-N	0	3	301.438	2.541	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000610717906	399397364	/nfs/dbraw/zinc/39/73/64/399397364.db2.gz	XUALQQLPVATEQC-WMLDXEAASA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@@](CO)(NCCCOc1cccc(C#N)c1)c1ccccc1	ZINC000610786272	399405969	/nfs/dbraw/zinc/40/59/69/399405969.db2.gz	MXMLQMOYTBKJCU-IBGZPJMESA-N	0	3	310.397	2.824	20	30		DFEDHN
COc1ccc(Cl)cc1[C@@H](C)NC1CCN(CC#N)CC1	ZINC000610813405	399409504	/nfs/dbraw/zinc/40/95/04/399409504.db2.gz	GDLKJOYLHCZNBP-GFCCVEGCSA-N	0	3	307.825	2.987	20	30		DFEDHN
C=CCC1(NCc2cn(-c3ccc(F)cc3)nn2)CCOCC1	ZINC000623564780	399417662	/nfs/dbraw/zinc/41/76/62/399417662.db2.gz	QQYOMFVGHBOYHD-UHFFFAOYSA-N	0	3	316.380	2.621	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000610877657	399415478	/nfs/dbraw/zinc/41/54/78/399415478.db2.gz	HCWWYJUMEVQTEZ-LBPRGKRZSA-N	0	3	306.797	2.675	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@@H](CCO)COC)cc1	ZINC000268993192	207148950	/nfs/dbraw/zinc/14/89/50/207148950.db2.gz	HKAZPQFPYLOHER-ZFWWWQNUSA-N	0	3	313.825	2.866	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1	ZINC000623634863	399432378	/nfs/dbraw/zinc/43/23/78/399432378.db2.gz	CDKDNMIZSQYNMA-BETUJISGSA-N	0	3	315.408	2.570	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(F)cc2C#N)C[C@H](C)O1	ZINC000269038410	207187931	/nfs/dbraw/zinc/18/79/31/207187931.db2.gz	LJSLHTVNVKZHDK-OKILXGFUSA-N	0	3	305.397	2.999	20	30		DFEDHN
C[C@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000602467661	399452203	/nfs/dbraw/zinc/45/22/03/399452203.db2.gz	HURXWUXHDMSQCI-CJNGLKHVSA-N	0	3	303.381	2.803	20	30		DFEDHN
Cc1ccc(NCc2cccc(C#N)n2)c(OCCN(C)C)c1	ZINC000602497833	399461184	/nfs/dbraw/zinc/46/11/84/399461184.db2.gz	KYGRJTXRWNQREM-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@H]1COc2ccccc2O1	ZINC000602502020	399461745	/nfs/dbraw/zinc/46/17/45/399461745.db2.gz	JPGGKFYOAIJKLR-GJZGRUSLSA-N	0	3	316.401	2.515	20	30		DFEDHN
CC(=O)Nc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602505557	399462545	/nfs/dbraw/zinc/46/25/45/399462545.db2.gz	FEKWDKVRAPXZKU-CQSZACIVSA-N	0	3	315.417	2.834	20	30		DFEDHN
C[C@@H](NC[C@H](O)COCc1cccs1)c1cccc(C#N)c1	ZINC000611389039	399468694	/nfs/dbraw/zinc/46/86/94/399468694.db2.gz	PMCLBGBNTKSOBQ-CJNGLKHVSA-N	0	3	316.426	2.848	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1F)c1cccc(C#N)c1	ZINC000611386293	399468840	/nfs/dbraw/zinc/46/88/40/399468840.db2.gz	KONQVVLDZYSPFV-XJKSGUPXSA-N	0	3	314.360	2.788	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1	ZINC000287668387	335046433	/nfs/dbraw/zinc/04/64/33/335046433.db2.gz	VRQJZWGJZCZYLH-SJORKVTESA-N	0	3	323.458	2.697	20	30		DFEDHN
CC[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCCCC#N	ZINC000602533733	399469483	/nfs/dbraw/zinc/46/94/83/399469483.db2.gz	AZSGMVIQZDCVOH-IAGOWNOFSA-N	0	3	301.434	2.925	20	30		DFEDHN
C[C@@H](CCC#N)CNCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000602536263	399470170	/nfs/dbraw/zinc/47/01/70/399470170.db2.gz	SMNPXKHBDPYWOT-LBPRGKRZSA-N	0	3	314.838	2.643	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)n1	ZINC000602537221	399470020	/nfs/dbraw/zinc/47/00/20/399470020.db2.gz	AWJXVKRHXVNKIW-OAHLLOKOSA-N	0	3	314.339	2.600	20	30		DFEDHN
C[C@H](NCc1ccnc(C#N)c1)c1ccc(-n2cccn2)cc1	ZINC000611402022	399471158	/nfs/dbraw/zinc/47/11/58/399471158.db2.gz	FBFBORPMHZGTIM-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccc(Cl)cn1	ZINC000602569769	399478674	/nfs/dbraw/zinc/47/86/74/399478674.db2.gz	SCGYDRHWRKOEEH-ZDUSSCGKSA-N	0	3	323.824	2.802	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)COC2	ZINC000602576773	399480761	/nfs/dbraw/zinc/48/07/61/399480761.db2.gz	PBNNQGXBHTZNSI-CQSZACIVSA-N	0	3	300.402	2.905	20	30		DFEDHN
CCOc1ccc(N(CC2CC2)C(=O)[C@@H](N)CCCC#N)cc1	ZINC000602578598	399481626	/nfs/dbraw/zinc/48/16/26/399481626.db2.gz	OHSVHQKOJQOQSR-KRWDZBQOSA-N	0	3	315.417	2.849	20	30		DFEDHN
CN(C(=O)[C@H](N)CCCC#N)[C@H](CCc1ccccc1)C(F)F	ZINC000602582596	399482174	/nfs/dbraw/zinc/48/21/74/399482174.db2.gz	NZTSQVWIUQZTKM-HUUCEWRRSA-N	0	3	323.387	2.732	20	30		DFEDHN
CN(C(=O)[C@@H](N)CCCC#N)[C@@H](CCc1ccccc1)C(F)F	ZINC000602582595	399482478	/nfs/dbraw/zinc/48/24/78/399482478.db2.gz	NZTSQVWIUQZTKM-GJZGRUSLSA-N	0	3	323.387	2.732	20	30		DFEDHN
COc1ccc(N(CC2CC2)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000602591252	399485572	/nfs/dbraw/zinc/48/55/72/399485572.db2.gz	FVKGWGDSKSUQGQ-QGZVFWFLSA-N	0	3	315.417	2.849	20	30		DFEDHN
CSc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccn1	ZINC000602601390	399487475	/nfs/dbraw/zinc/48/74/75/399487475.db2.gz	LHHBSKRTGQKNMS-CYBMUJFWSA-N	0	3	305.447	2.992	20	30		DFEDHN
Cc1ccnc(-c2nnc([C@H](C)[NH2+]C3CCC(C#N)CC3)[n-]2)c1	ZINC000602638683	399499125	/nfs/dbraw/zinc/49/91/25/399499125.db2.gz	FOLHSEGXDOVSPT-HSBZDZAISA-N	0	3	310.405	2.908	20	30		DFEDHN
COC(=O)c1[nH]c(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C	ZINC000602639548	399499168	/nfs/dbraw/zinc/49/91/68/399499168.db2.gz	KEIWYJHIMKHVRD-MRXNPFEDSA-N	0	3	309.369	2.759	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@H]1COCc2ccccc21	ZINC000602694807	399524106	/nfs/dbraw/zinc/52/41/06/399524106.db2.gz	KAEITXPMBKGKQY-PBHICJAKSA-N	0	3	300.402	2.946	20	30		DFEDHN
C#CCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1	ZINC000270070033	208128911	/nfs/dbraw/zinc/12/89/11/208128911.db2.gz	HWLSXSSYDYMDPG-UHFFFAOYSA-N	0	3	306.772	2.953	20	30		DFEDHN
C[C@@]1(NCc2cccc(C#N)n2)CCN(Cc2ccccc2)C1	ZINC000602712892	399533647	/nfs/dbraw/zinc/53/36/47/399533647.db2.gz	PTENYQKSAMRWDZ-LJQANCHMSA-N	0	3	306.413	2.707	20	30		DFEDHN
C[C@@H]1CCSCCN1CC#CCN1CCSCC[C@H]1C	ZINC000625368549	399536462	/nfs/dbraw/zinc/53/64/62/399536462.db2.gz	BJCMZTPIBOKVML-HZPDHXFCSA-N	0	3	312.548	2.645	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1c(C2CCC2)cnn1C	ZINC000602718718	399537888	/nfs/dbraw/zinc/53/78/88/399537888.db2.gz	KBBNTXAAICYNLY-AWEZNQCLSA-N	0	3	316.449	2.876	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H]1CCO[C@H](C(F)(F)F)C1	ZINC000287631266	335048818	/nfs/dbraw/zinc/04/88/18/335048818.db2.gz	KJGBDWOSXUQDIG-ZFWWWQNUSA-N	0	3	313.319	2.898	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1ccccc1	ZINC000270323240	208395015	/nfs/dbraw/zinc/39/50/15/208395015.db2.gz	KZPWRAHSHTUNFI-NJAFHUGGSA-N	0	3	313.445	2.733	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000159158715	197331864	/nfs/dbraw/zinc/33/18/64/197331864.db2.gz	LOZZMTWZVFPGMT-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000272896796	210285482	/nfs/dbraw/zinc/28/54/82/210285482.db2.gz	UJOHZVFJFPCLNG-HOTGVXAUSA-N	0	3	311.422	2.652	20	30		DFEDHN
COC(=O)[C@H](C)CN(Cc1ccccc1)CC1(CC#N)CC1	ZINC000602773012	399567264	/nfs/dbraw/zinc/56/72/64/399567264.db2.gz	YGRXOKOOCPWAOL-OAHLLOKOSA-N	0	3	300.402	2.992	20	30		DFEDHN
COC(=O)[C@@H](C)CN(Cc1ccccc1)CC1(CC#N)CC1	ZINC000602773011	399567411	/nfs/dbraw/zinc/56/74/11/399567411.db2.gz	YGRXOKOOCPWAOL-HNNXBMFYSA-N	0	3	300.402	2.992	20	30		DFEDHN
Cc1ccccc1C(=O)NC1CCN(CC2(CC#N)CC2)CC1	ZINC000602781773	399570597	/nfs/dbraw/zinc/57/05/97/399570597.db2.gz	FIVKLNFVZKVWPY-UHFFFAOYSA-N	0	3	311.429	2.883	20	30		DFEDHN
C=C(CNC(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1	ZINC000288110447	335052704	/nfs/dbraw/zinc/05/27/04/335052704.db2.gz	VLJRFLWWDVLLOU-UHFFFAOYSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=CCC[C@H](NS(=O)(=O)CCCN(C)C)c1ccccc1	ZINC000632126405	399577397	/nfs/dbraw/zinc/57/73/97/399577397.db2.gz	QKEGFHIDKNZMSM-INIZCTEOSA-N	0	3	310.463	2.565	20	30		DFEDHN
COCC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccco1	ZINC000273203165	285171901	/nfs/dbraw/zinc/17/19/01/285171901.db2.gz	AFYINRWBGIQVHS-JKSUJKDBSA-N	0	3	300.358	2.552	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@@H]1CCN(CC2(CC#N)CC2)C1	ZINC000602823020	399589936	/nfs/dbraw/zinc/58/99/36/399589936.db2.gz	UBNLWKGECAFYJA-HNNXBMFYSA-N	0	3	318.490	2.899	20	30		DFEDHN
C[C@](CO)(NCC1(CC#N)CC1)c1ccc(Br)cc1	ZINC000602831431	399592094	/nfs/dbraw/zinc/59/20/94/399592094.db2.gz	OYVBICRLXLLEAG-CQSZACIVSA-N	0	3	323.234	2.940	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC1(CC#N)CC1	ZINC000602829675	399593047	/nfs/dbraw/zinc/59/30/47/399593047.db2.gz	XDRUIIRCTICZOR-HOCLYGCPSA-N	0	3	300.402	2.690	20	30		DFEDHN
C[C@@](CO)(NCC1(CC#N)CC1)c1ccc(Br)cc1	ZINC000602831429	399593100	/nfs/dbraw/zinc/59/31/00/399593100.db2.gz	OYVBICRLXLLEAG-AWEZNQCLSA-N	0	3	323.234	2.940	20	30		DFEDHN
C=C(C)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000156773784	197139381	/nfs/dbraw/zinc/13/93/81/197139381.db2.gz	OTOUIMPKEIZTEK-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cn1cc([C@H]2CCCN2CCCOc2cccc(C#N)c2)cn1	ZINC000156097203	197085807	/nfs/dbraw/zinc/08/58/07/197085807.db2.gz	VRCXGYAJQSLOLZ-GOSISDBHSA-N	0	3	310.401	2.898	20	30		DFEDHN
C[C@@H]1CN(CCSCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602847759	399600671	/nfs/dbraw/zinc/60/06/71/399600671.db2.gz	CUVQIWVLRXNUQQ-IYBDPMFKSA-N	0	3	303.475	2.838	20	30		DFEDHN
Cc1cc(C)cc(OCCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602855330	399604526	/nfs/dbraw/zinc/60/45/26/399604526.db2.gz	GUDPCONQLJXHFQ-HDICACEKSA-N	0	3	315.461	2.991	20	30		DFEDHN
C#CCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000155004033	197012491	/nfs/dbraw/zinc/01/24/91/197012491.db2.gz	OZWUMQZOXIGNNS-UHFFFAOYSA-N	0	3	317.433	2.689	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)c2ccc(Cl)cc2)cc1	ZINC000065978987	542457005	/nfs/dbraw/zinc/45/70/05/542457005.db2.gz	RCLOYLMTAFOGIN-UHFFFAOYSA-N	0	3	313.788	2.731	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602881333	399613597	/nfs/dbraw/zinc/61/35/97/399613597.db2.gz	HHKOLZMYDZUKFA-HZPDHXFCSA-N	0	3	324.428	2.720	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(F)c(F)c1	ZINC000288168560	335053558	/nfs/dbraw/zinc/05/35/58/335053558.db2.gz	MNIOVMDZVRXMES-XHDPSFHLSA-N	0	3	311.376	2.831	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1	ZINC000625700555	399616101	/nfs/dbraw/zinc/61/61/01/399616101.db2.gz	KEXVIASFCAJCOI-ZIAGYGMSSA-N	0	3	322.399	2.910	20	30		DFEDHN
COc1cccc([C@@H](CNc2cnc(C#N)cn2)N2CCCC2)c1	ZINC000120594482	195197313	/nfs/dbraw/zinc/19/73/13/195197313.db2.gz	SPFDQHNAWBYKDD-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
Cc1csc(CC2(O)CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1	ZINC000602891934	399617266	/nfs/dbraw/zinc/61/72/66/399617266.db2.gz	DTFMHJDKLRYGIO-KGLIPLIRSA-N	0	3	305.447	2.513	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3ccc(C#N)cc3)CC2)n[nH]1	ZINC000271572698	209023591	/nfs/dbraw/zinc/02/35/91/209023591.db2.gz	AFGSJZUENQPIHD-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3ccc(C#N)cc3)CC2)[nH]n1	ZINC000271572698	209023593	/nfs/dbraw/zinc/02/35/93/209023593.db2.gz	AFGSJZUENQPIHD-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cccc(N(CC)CCOC)n2)C1	ZINC000625704654	399618720	/nfs/dbraw/zinc/61/87/20/399618720.db2.gz	ZKIUTTJVSWXKPK-MRXNPFEDSA-N	0	3	303.450	2.952	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000288630080	335054510	/nfs/dbraw/zinc/05/45/10/335054510.db2.gz	SLMMHPTYSNLZFS-FQEVSTJZSA-N	0	3	322.452	2.676	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1	ZINC000288504557	335055843	/nfs/dbraw/zinc/05/58/43/335055843.db2.gz	IGBWATNUIMVHJO-UYAOXDASSA-N	0	3	323.392	2.673	20	30		DFEDHN
N#Cc1ccc(C2CCN(CCO[C@H]3CCCCO3)CC2)nc1	ZINC000602906374	399622349	/nfs/dbraw/zinc/62/23/49/399622349.db2.gz	GSUZVADMBCLVSZ-SFHVURJKSA-N	0	3	315.417	2.676	20	30		DFEDHN
CN(CCCC#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000602924617	399629404	/nfs/dbraw/zinc/62/94/04/399629404.db2.gz	GSSVYQPWJRWKQK-CYBMUJFWSA-N	0	3	317.216	2.969	20	30		DFEDHN
C#C[C@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000289343831	335058214	/nfs/dbraw/zinc/05/82/14/335058214.db2.gz	IERZHQYGCAGFDX-INIZCTEOSA-N	0	3	312.373	2.743	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c(F)c1	ZINC000289951598	221338041	/nfs/dbraw/zinc/33/80/41/221338041.db2.gz	UVYMWOYNAPXRAV-MJGOQNOKSA-N	0	3	310.372	2.953	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCCC#N	ZINC000612380464	399638408	/nfs/dbraw/zinc/63/84/08/399638408.db2.gz	RCVAJWSGKGVSLD-MRXNPFEDSA-N	0	3	314.433	2.596	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1(C)COC1	ZINC000625790823	399644127	/nfs/dbraw/zinc/64/41/27/399644127.db2.gz	LBZAFFYGHLOGRN-CQSZACIVSA-N	0	3	322.474	2.620	20	30		DFEDHN
CN(CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCC[C@H]1C#N	ZINC000602981061	399648224	/nfs/dbraw/zinc/64/82/24/399648224.db2.gz	ZDDSPCQTTXFLLQ-HOTGVXAUSA-N	0	3	305.466	2.895	20	30		DFEDHN
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H]1CCC[C@H]1C#N	ZINC000602982149	399649768	/nfs/dbraw/zinc/64/97/68/399649768.db2.gz	ODUUFZHOFVBTSQ-JYJNAYRXSA-N	0	3	305.466	2.895	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1	ZINC000617353358	399676978	/nfs/dbraw/zinc/67/69/78/399676978.db2.gz	JIZSPYSDEVZLPQ-OAHLLOKOSA-N	0	3	302.418	2.854	20	30		DFEDHN
CN1CC[C@H](NC(=O)Nc2ccnc(C#N)c2)[C@H]1c1ccccc1	ZINC000603128620	399689555	/nfs/dbraw/zinc/68/95/55/399689555.db2.gz	XZBUYLMVKSKIRF-DLBZAZTESA-N	0	3	321.384	2.520	20	30		DFEDHN
C=CCCC1(CNC(=O)CCN2CCN(CC)CC2)CCCC1	ZINC000617417162	399696373	/nfs/dbraw/zinc/69/63/73/399696373.db2.gz	OAGKVKVOXSNQSA-UHFFFAOYSA-N	0	3	321.509	2.657	20	30		DFEDHN
N#CCCCCCC(=O)N1CCCN(c2ccncc2)CC1	ZINC000603082602	399676042	/nfs/dbraw/zinc/67/60/42/399676042.db2.gz	GQMWVTXHELSSQZ-UHFFFAOYSA-N	0	3	300.406	2.594	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1	ZINC000617353357	399676636	/nfs/dbraw/zinc/67/66/36/399676636.db2.gz	JIZSPYSDEVZLPQ-HNNXBMFYSA-N	0	3	302.418	2.854	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(Cc2nc(C3CCC3)no2)CC1	ZINC000625998234	399714173	/nfs/dbraw/zinc/71/41/73/399714173.db2.gz	BYOTZKLZSGHYQU-HNNXBMFYSA-N	0	3	305.422	2.529	20	30		DFEDHN
CC(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603251405	399723757	/nfs/dbraw/zinc/72/37/57/399723757.db2.gz	PJUZQFHUSAESQP-AWEZNQCLSA-N	0	3	323.322	2.873	20	30		DFEDHN
C#Cc1ccc(CN(C)C[C@@H]2CCCN2c2cccnn2)cc1	ZINC000289267402	335061163	/nfs/dbraw/zinc/06/11/63/335061163.db2.gz	DRUZBOWJBNCPSA-SFHVURJKSA-N	0	3	306.413	2.559	20	30		DFEDHN
CCO[C@@H]1COCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000612829069	399732602	/nfs/dbraw/zinc/73/26/02/399732602.db2.gz	MAWYPQXIWMBCRK-KZNAEPCWSA-N	0	3	300.402	2.719	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cnc([C@H](C)O)s1)C(C)C	ZINC000289251908	335061280	/nfs/dbraw/zinc/06/12/80/335061280.db2.gz	LXKYEKRFVSNNIZ-HOCLYGCPSA-N	0	3	323.506	2.985	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)c2nc3ccccc3c(C)c2C#N)N(C)C1	ZINC000295666636	533286373	/nfs/dbraw/zinc/28/63/73/533286373.db2.gz	JEQKSMBCCKMBMA-GJZGRUSLSA-N	0	3	324.428	2.570	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(CC#Cc2ccccc2)CC1	ZINC000626089165	399750552	/nfs/dbraw/zinc/75/05/52/399750552.db2.gz	DCRORJZIQIDLNT-UHFFFAOYSA-N	0	3	312.457	2.615	20	30		DFEDHN
Cc1nsc(N(C)CCCN(C)Cc2ccncc2)c1C#N	ZINC000603398891	399765404	/nfs/dbraw/zinc/76/54/04/399765404.db2.gz	CZDPHSZXKDDORH-UHFFFAOYSA-N	0	3	315.446	2.677	20	30		DFEDHN
CCN(CCC#N)C(=O)CNC(C)(C)CCc1ccccc1	ZINC000151953031	542672185	/nfs/dbraw/zinc/67/21/85/542672185.db2.gz	LAQBNOHDMGBWST-UHFFFAOYSA-N	0	3	301.434	2.750	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(C(=O)N(C)C)CC2)c1	ZINC000162594049	542737486	/nfs/dbraw/zinc/73/74/86/542737486.db2.gz	FNWKMBLOOJRNEJ-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c1	ZINC000289762114	335065147	/nfs/dbraw/zinc/06/51/47/335065147.db2.gz	RASNMJNXQOAJHW-AEFFLSMTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@H]12	ZINC000603847286	399808476	/nfs/dbraw/zinc/80/84/76/399808476.db2.gz	NSGXZMVBBBZYFR-NYCLONFESA-N	0	3	303.450	2.695	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)CC1	ZINC000613166009	399809078	/nfs/dbraw/zinc/80/90/78/399809078.db2.gz	SYALUXXWOXDGOX-XGHPGWEVSA-N	0	3	318.465	2.585	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccn(C)c1C)C(C)C	ZINC000195259875	542864546	/nfs/dbraw/zinc/86/45/46/542864546.db2.gz	BXBDOILHIWZNSA-QGZVFWFLSA-N	0	3	303.450	2.762	20	30		DFEDHN
C=C[C@@](C)(CC)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000290078633	335068231	/nfs/dbraw/zinc/06/82/31/335068231.db2.gz	LSDWIZDJFIJGBY-KRWDZBQOSA-N	0	3	316.405	2.926	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)Cc2cc(F)cc3c2OCOC3)C1	ZINC000328929251	543098811	/nfs/dbraw/zinc/09/88/11/543098811.db2.gz	YKDNFVSFZPHCRF-HNNXBMFYSA-N	0	3	322.380	2.676	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)CCN1C	ZINC000329590658	543106635	/nfs/dbraw/zinc/10/66/35/543106635.db2.gz	YPGAOUGOGOODAS-BXUZGUMPSA-N	0	3	301.390	2.812	20	30		DFEDHN
CCc1nc([C@H](C)NC(=O)N[C@H]2CCN(C3CC3)C2)cs1	ZINC000329310265	543102811	/nfs/dbraw/zinc/10/28/11/543102811.db2.gz	QTNMTYSAYXFLGW-QWRGUYRKSA-N	0	3	308.451	2.507	20	30		DFEDHN
C=CCCCCCN(C)C(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1	ZINC000345203437	543175479	/nfs/dbraw/zinc/17/54/79/543175479.db2.gz	ALAYWGIAAWJYGX-MSOLQXFVSA-N	0	3	322.493	2.938	20	30		DFEDHN
Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)n1	ZINC000109078012	145198334	/nfs/dbraw/zinc/19/83/34/145198334.db2.gz	QKPOJQDUFGWMKG-MRXNPFEDSA-N	0	3	322.412	2.726	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000633372127	399893980	/nfs/dbraw/zinc/89/39/80/399893980.db2.gz	JPKFLNHOGOQBQC-INIZCTEOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000633372128	399894011	/nfs/dbraw/zinc/89/40/11/399894011.db2.gz	JPKFLNHOGOQBQC-MRXNPFEDSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1	ZINC000628486862	400036230	/nfs/dbraw/zinc/03/62/30/400036230.db2.gz	RXHODALJYIHNTL-FUHWJXTLSA-N	0	3	313.445	2.718	20	30		DFEDHN
CC1(C)CC(=O)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000628681770	400046812	/nfs/dbraw/zinc/04/68/12/400046812.db2.gz	FFGCYBAVDJYCMU-MRXNPFEDSA-N	0	3	312.413	2.977	20	30		DFEDHN
C=CCCCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000631168643	399994475	/nfs/dbraw/zinc/99/44/75/399994475.db2.gz	IUZIMWRZRYYGCJ-UHFFFAOYSA-N	0	3	316.854	2.823	20	30		DFEDHN
C=CCCC1(CNCc2cn(C[C@@H]3CCOC3)nn2)CCCC1	ZINC000631169559	399994870	/nfs/dbraw/zinc/99/48/70/399994870.db2.gz	HFZOPPONOGBKRI-INIZCTEOSA-N	0	3	318.465	2.931	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634274107	400008724	/nfs/dbraw/zinc/00/87/24/400008724.db2.gz	LYLFEGFXHDSEII-FUHWJXTLSA-N	0	3	316.445	2.667	20	30		DFEDHN
CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H](N)CCCC#N	ZINC000424094633	543342171	/nfs/dbraw/zinc/34/21/71/543342171.db2.gz	UYYJJLPIBMFTFZ-ZDUSSCGKSA-N	0	3	314.216	2.973	20	30		DFEDHN
CN1CC[C@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1	ZINC000245682799	146093434	/nfs/dbraw/zinc/09/34/34/146093434.db2.gz	MZBXYCQMQBNTAT-DLBZAZTESA-N	0	3	317.339	2.964	20	30		DFEDHN
C#CCN1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1	ZINC000491674533	543407693	/nfs/dbraw/zinc/40/76/93/543407693.db2.gz	KLTZCXASRNJKAR-UKRRQHHQSA-N	0	3	308.219	2.828	20	30		DFEDHN
C[C@H](NC(=O)c1cc(C#N)ccc1Cl)C1=CCN(C)CC1	ZINC000354687719	147115327	/nfs/dbraw/zinc/11/53/27/147115327.db2.gz	UBLADUYLERNTCD-NSHDSACASA-N	0	3	303.793	2.592	20	30		DFEDHN
N#Cc1cccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)n1	ZINC000355439846	147317558	/nfs/dbraw/zinc/31/75/58/147317558.db2.gz	HHHIBAFDMWHSBU-UHFFFAOYSA-N	0	3	317.396	2.757	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000575489723	543452241	/nfs/dbraw/zinc/45/22/41/543452241.db2.gz	NOOHFDUIJAGQMG-RPCCPQHDSA-N	0	3	317.458	2.797	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C	ZINC000357680315	148081720	/nfs/dbraw/zinc/08/17/20/148081720.db2.gz	LZCHDCFQYUXSEV-GWCFXTLKSA-N	0	3	306.797	2.816	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[nH]c(C#N)c1)N(C)C	ZINC000357870218	148156898	/nfs/dbraw/zinc/15/68/98/148156898.db2.gz	NGFSERLZSFJXOL-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
Cc1nn(C)c(C)c1CCN[C@H](C)c1ccc(C#N)cc1F	ZINC000358571741	148387990	/nfs/dbraw/zinc/38/79/90/148387990.db2.gz	PRTALTTWFHCJSY-LLVKDONJSA-N	0	3	300.381	2.941	20	30		DFEDHN
Cc1cc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)ccc1C#N	ZINC000361235572	149061243	/nfs/dbraw/zinc/06/12/43/149061243.db2.gz	CQHAVJAKWHOMFD-INIZCTEOSA-N	0	3	323.371	2.901	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1	ZINC000361463119	149122144	/nfs/dbraw/zinc/12/21/44/149122144.db2.gz	NXLMWGVSWFYYHN-CQSZACIVSA-N	0	3	324.359	2.921	20	30		DFEDHN
COCCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[C@@H](C)C1	ZINC000361637676	149176108	/nfs/dbraw/zinc/17/61/08/149176108.db2.gz	ANCGPVAOVBLFGK-GDBMZVCRSA-N	0	3	312.417	2.843	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1CCN(C)C	ZINC000667152224	543554571	/nfs/dbraw/zinc/55/45/71/543554571.db2.gz	HRDBBHQCYIMMLV-CABCVRRESA-N	0	3	319.453	2.701	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(C#N)c1	ZINC000362032666	149280775	/nfs/dbraw/zinc/28/07/75/149280775.db2.gz	OYWVSPDKIMMONJ-RDTXWAMCSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H](NCc1ccnc(-n2ccnc2)c1)c1ccc(C#N)cc1	ZINC000373228123	150250287	/nfs/dbraw/zinc/25/02/87/150250287.db2.gz	MSUQRZYORZFRSF-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#Cc1ccc(OCCN[C@@H]2c3ccccc3CC[C@H]2CO)cc1	ZINC000373815215	150261328	/nfs/dbraw/zinc/26/13/28/150261328.db2.gz	MOLAJMIFNVTXJB-PXNSSMCTSA-N	0	3	322.408	2.823	20	30		DFEDHN
COc1ccc([C@@H](O)[C@@H]2CCCN2Cc2ccc(C#N)o2)cc1	ZINC000374256240	150330961	/nfs/dbraw/zinc/33/09/61/150330961.db2.gz	NAWUHNYUMPVXBZ-ZWKOTPCHSA-N	0	3	312.369	2.858	20	30		DFEDHN
C[C@@H]1[C@@H](NCc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1	ZINC000374265684	150333359	/nfs/dbraw/zinc/33/33/59/150333359.db2.gz	OOEUEUQKEUFBFZ-BEFAXECRSA-N	0	3	319.408	2.837	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C12CCOCC2	ZINC000185650372	158067311	/nfs/dbraw/zinc/06/73/11/158067311.db2.gz	AOOZEFKAMAAFMR-GJZGRUSLSA-N	0	3	306.431	2.684	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000246387502	158089888	/nfs/dbraw/zinc/08/98/88/158089888.db2.gz	VGWRPQNWPHCFQE-MAUKXSAKSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#Cc1ccccc1Cn1cccc1CN1CC([C@@H]2CCOC2)C1	ZINC000368441502	158642851	/nfs/dbraw/zinc/64/28/51/158642851.db2.gz	LMMCXAFNQCNZGH-GOSISDBHSA-N	0	3	321.424	2.876	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O	ZINC000295421989	287142427	/nfs/dbraw/zinc/14/24/27/287142427.db2.gz	CMSQAUNXAYZHTM-QILLFSRXSA-N	0	3	319.408	2.900	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1	ZINC000129505087	196054045	/nfs/dbraw/zinc/05/40/45/196054045.db2.gz	DAJJUKZNTPTYAP-UHFFFAOYSA-N	0	3	313.445	2.653	20	30		DFEDHN
C=CCc1cc(CN(C)CCCn2ccnc2)cc(OC)c1O	ZINC000290293324	335070844	/nfs/dbraw/zinc/07/08/44/335070844.db2.gz	AOWHXWIHDFSAEP-UHFFFAOYSA-N	0	3	315.417	2.848	20	30		DFEDHN
C=CCc1cc(CN(C)CCN(C)C2CC2)cc(OC)c1O	ZINC000290508463	335072397	/nfs/dbraw/zinc/07/23/97/335072397.db2.gz	PLJJHKMHXOBCNM-UHFFFAOYSA-N	0	3	304.434	2.655	20	30		DFEDHN
C=CC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1	ZINC000668492416	543814697	/nfs/dbraw/zinc/81/46/97/543814697.db2.gz	ABYYHWVAXTUPJK-AWEZNQCLSA-N	0	3	307.463	2.768	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ncccc1F)C(C)C	ZINC000668683377	543845227	/nfs/dbraw/zinc/84/52/27/543845227.db2.gz	VYKLJTWARHMWMY-OAHLLOKOSA-N	0	3	305.397	2.649	20	30		DFEDHN
CCC#C[C@@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000671562745	544086189	/nfs/dbraw/zinc/08/61/89/544086189.db2.gz	QLCDPPFRSUYXEP-SOLBZPMBSA-N	0	3	302.466	2.537	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCCn2ccnc2)cc1OC	ZINC000290405977	335073438	/nfs/dbraw/zinc/07/34/38/335073438.db2.gz	JSHWMEXHTZMAME-UHFFFAOYSA-N	0	3	315.417	2.979	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000290689782	335074528	/nfs/dbraw/zinc/07/45/28/335074528.db2.gz	INBIKODGRPODIN-PKOBYXMFSA-N	0	3	318.461	2.586	20	30		DFEDHN
CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1C#N	ZINC000291343031	222327007	/nfs/dbraw/zinc/32/70/07/222327007.db2.gz	NAIVUOZPFUODEC-QGZVFWFLSA-N	0	3	303.381	2.734	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000674933943	544278129	/nfs/dbraw/zinc/27/81/29/544278129.db2.gz	MRAXUEPQAVEIOK-MRXNPFEDSA-N	0	3	301.434	2.787	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCc3cn[nH]c3)CC2)c(F)c1	ZINC000297598855	227352682	/nfs/dbraw/zinc/35/26/82/227352682.db2.gz	JVGCPUNLPLPKGT-UHFFFAOYSA-N	0	3	314.364	2.506	20	30		DFEDHN
C=CCN(CCc1ccccc1)CC[C@@H]1CCS(=O)(=O)C1	ZINC000677679372	544520399	/nfs/dbraw/zinc/52/03/99/544520399.db2.gz	UPXUMKFJQBKVGZ-QGZVFWFLSA-N	0	3	307.459	2.542	20	30		DFEDHN
COCC#CCOc1ccc(OCCN2CCCCC2)cc1	ZINC000678822819	544729441	/nfs/dbraw/zinc/72/94/41/544729441.db2.gz	HYEMEALDFHYHST-UHFFFAOYSA-N	0	3	303.402	2.580	20	30		DFEDHN
C=C(CC)CN1CC[C@@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000678624448	544704553	/nfs/dbraw/zinc/70/45/53/544704553.db2.gz	BRTKAKXSIWNHMM-OAHLLOKOSA-N	0	3	320.437	2.582	20	30		DFEDHN
COCC#CCN[C@H](C)c1cccc(OCc2ccccn2)c1	ZINC000678742990	544714381	/nfs/dbraw/zinc/71/43/81/544714381.db2.gz	BNPILRDSPSFHJD-MRXNPFEDSA-N	0	3	310.397	2.961	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@H](CCC)C1	ZINC000678903653	544747137	/nfs/dbraw/zinc/74/71/37/544747137.db2.gz	BIWORCDTTLBNJQ-MOPGFXCFSA-N	0	3	302.462	2.910	20	30		DFEDHN
N#Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)ccn1	ZINC000299681076	229327172	/nfs/dbraw/zinc/32/71/72/229327172.db2.gz	RLQLUVUXKWKDHK-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nn1	ZINC000301962130	230005296	/nfs/dbraw/zinc/00/52/96/230005296.db2.gz	MXMHZWWOSZMAGR-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000302007642	230031629	/nfs/dbraw/zinc/03/16/29/230031629.db2.gz	UVWYASHJCLAWFW-MAUKXSAKSA-N	0	3	321.428	2.838	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C	ZINC000056495323	425895473	/nfs/dbraw/zinc/89/54/73/425895473.db2.gz	FBGJFZNWGURISO-INIZCTEOSA-N	0	3	307.434	2.859	20	30		DFEDHN
COc1ccc(Cl)cc1NC(=O)CCN1CCC(C#N)CC1	ZINC000057879105	425896953	/nfs/dbraw/zinc/89/69/53/425896953.db2.gz	POYWWOAJMYMVEG-UHFFFAOYSA-N	0	3	321.808	2.913	20	30		DFEDHN
CS[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1N(C)C	ZINC000340736232	269809169	/nfs/dbraw/zinc/80/91/69/269809169.db2.gz	GBKMTDCCLFTCDQ-JKSUJKDBSA-N	0	3	312.442	2.588	20	30		DFEDHN
Cn1cc(CNCc2cccc(C#N)c2)c(-c2ccncc2)n1	ZINC000066971911	425907834	/nfs/dbraw/zinc/90/78/34/425907834.db2.gz	XTRRYWNXRQCMSR-UHFFFAOYSA-N	0	3	303.369	2.644	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cscc1C#N	ZINC000432877905	269871751	/nfs/dbraw/zinc/87/17/51/269871751.db2.gz	OFPLUCSVSRZRNI-JHJVBQTASA-N	0	3	305.447	2.716	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1	ZINC000155689115	425923866	/nfs/dbraw/zinc/92/38/66/425923866.db2.gz	ZZNLGPBBKLTBLK-UHFFFAOYSA-N	0	3	307.397	2.892	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)[nH]1)c1ccccc1	ZINC000124582682	425927852	/nfs/dbraw/zinc/92/78/52/425927852.db2.gz	FGEIBHILAHFSEV-ZDUSSCGKSA-N	0	3	310.401	2.746	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H](CO)CC3CCCCC3)n2c1	ZINC000418129473	270000339	/nfs/dbraw/zinc/00/03/39/270000339.db2.gz	SGQUWDNWFOKGEU-MRXNPFEDSA-N	0	3	312.417	2.627	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@@H]3CCC(F)(F)C3)CC2)n1	ZINC000450748482	270001379	/nfs/dbraw/zinc/00/13/79/270001379.db2.gz	UBCPZNDBXUYNHG-CYBMUJFWSA-N	0	3	306.360	2.511	20	30		DFEDHN
CC#CCCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000156766099	425935461	/nfs/dbraw/zinc/93/54/61/425935461.db2.gz	JHQIRIHXGJWZHU-HNNXBMFYSA-N	0	3	302.418	2.994	20	30		DFEDHN
CCN1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1	ZINC000347138198	266151124	/nfs/dbraw/zinc/15/11/24/266151124.db2.gz	RPONNNVDYCICMV-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCN1C[C@@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1C	ZINC000337005895	266158244	/nfs/dbraw/zinc/15/82/44/266158244.db2.gz	AUCGEABCYDLROS-GHMZBOCLSA-N	0	3	312.339	2.891	20	30		DFEDHN
CCOC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C	ZINC000348478301	266284480	/nfs/dbraw/zinc/28/44/80/266284480.db2.gz	MFBDMPCCKXDOLR-AWEZNQCLSA-N	0	3	323.462	2.826	20	30		DFEDHN
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)o1	ZINC000341408046	266554384	/nfs/dbraw/zinc/55/43/84/266554384.db2.gz	QLELLSTXRFPFQV-INIZCTEOSA-N	0	3	323.396	2.745	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)CSc2ccc(C#N)cc2)C1	ZINC000457130011	266919909	/nfs/dbraw/zinc/91/99/09/266919909.db2.gz	SVFYRUHSGUISNU-OAHLLOKOSA-N	0	3	317.458	2.591	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC)C1	ZINC000413815834	267016017	/nfs/dbraw/zinc/01/60/17/267016017.db2.gz	HVXMFJZHKJPFBQ-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cncc(C#N)n1	ZINC000420605003	267068751	/nfs/dbraw/zinc/06/87/51/267068751.db2.gz	TZZPQVWFNXDFTD-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCCN1C	ZINC000344918833	267110498	/nfs/dbraw/zinc/11/04/98/267110498.db2.gz	PHTORDHMFZGBMU-QMTHXVAHSA-N	0	3	306.797	2.816	20	30		DFEDHN
C[C@H](CCc1ccc2c(c1)OCO2)NCc1nc(C#N)cs1	ZINC000352836663	267154168	/nfs/dbraw/zinc/15/41/68/267154168.db2.gz	WFLOPNQRGGWLDA-LLVKDONJSA-N	0	3	315.398	2.854	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)N1CCC[C@H](C)C1	ZINC000353519731	267158881	/nfs/dbraw/zinc/15/88/81/267158881.db2.gz	GJJUCGAKXFZHPB-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
CCS[C@@H]1CC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1	ZINC000515384202	267181063	/nfs/dbraw/zinc/18/10/63/267181063.db2.gz	DGNDIJJUFIWZKP-HUUCEWRRSA-N	0	3	315.446	2.707	20	30		DFEDHN
CCS[C@H]1CC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1	ZINC000515384201	267181441	/nfs/dbraw/zinc/18/14/41/267181441.db2.gz	DGNDIJJUFIWZKP-GJZGRUSLSA-N	0	3	315.446	2.707	20	30		DFEDHN
CC[C@@H](NCc1ccc(C#N)c(F)c1)C1(C(=O)OC)CCC1	ZINC000453362493	267195813	/nfs/dbraw/zinc/19/58/13/267195813.db2.gz	BELKIOPKNVVRNG-OAHLLOKOSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(C#N)ncn1	ZINC000398191388	267234592	/nfs/dbraw/zinc/23/45/92/267234592.db2.gz	ZNLSNIUPJBEXKZ-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cncc(C#N)n1	ZINC000401179430	267234802	/nfs/dbraw/zinc/23/48/02/267234802.db2.gz	AGHRWQJDNQNMMU-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)CN1C	ZINC000351945730	267235149	/nfs/dbraw/zinc/23/51/49/267235149.db2.gz	UAGRPGWQVVBQKB-RYUDHWBXSA-N	0	3	309.360	2.684	20	30		DFEDHN
CN(C)CCOc1ccc(CNc2ncc(C#N)cc2F)cc1	ZINC000413077477	267281466	/nfs/dbraw/zinc/28/14/66/267281466.db2.gz	MERPZCVPFVWXDY-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
CN(Cc1cccc(O)c1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000527166725	267319071	/nfs/dbraw/zinc/31/90/71/267319071.db2.gz	HHCLZXHJAXJSEQ-QGZVFWFLSA-N	0	3	319.364	2.605	20	30		DFEDHN
CN1CCC[C@@H](CNc2cncc(C#N)n2)[C@@H]1c1cccs1	ZINC000420606641	267336072	/nfs/dbraw/zinc/33/60/72/267336072.db2.gz	XWPNKVBEOZIWGB-BLLLJJGKSA-N	0	3	313.430	2.905	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)/C=C\c3ccc(C#N)cc3)C2)C1	ZINC000493763300	267338222	/nfs/dbraw/zinc/33/82/22/267338222.db2.gz	YRQDOZNANCHYHU-FQQSSWHASA-N	0	3	309.413	2.516	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1	ZINC000342511371	267347383	/nfs/dbraw/zinc/34/73/83/267347383.db2.gz	MVEZOQSJDLPVGQ-GASCZTMLSA-N	0	3	302.422	2.563	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)[C@H]1C(C)C	ZINC000429366617	267388227	/nfs/dbraw/zinc/38/82/27/267388227.db2.gz	ZBNYXUQWRXQRAC-RDJZCZTQSA-N	0	3	316.401	2.586	20	30		DFEDHN
CCCN(CCNCc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C	ZINC000191479623	268002333	/nfs/dbraw/zinc/00/23/33/268002333.db2.gz	LQXHNGHYIGDSPX-UHFFFAOYSA-N	0	3	320.437	2.633	20	30		DFEDHN
C[C@@H](NCCSCc1ccccc1C#N)c1ccnn1C	ZINC000192749097	268046747	/nfs/dbraw/zinc/04/67/47/268046747.db2.gz	NMUJFYXLGVGJNZ-CYBMUJFWSA-N	0	3	300.431	2.876	20	30		DFEDHN
N#Cc1ccc(CNCCSCCCO)c(C(F)(F)F)c1	ZINC000352843137	268074494	/nfs/dbraw/zinc/07/44/94/268074494.db2.gz	XUEJVGZESBICSE-UHFFFAOYSA-N	0	3	318.364	2.782	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCOC3(CCOCC3)C2)c(F)c1	ZINC000344833251	268076323	/nfs/dbraw/zinc/07/63/23/268076323.db2.gz	FEQZOFYEAGBVGN-HNNXBMFYSA-N	0	3	304.365	2.515	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccccc3C2)cc1	ZINC000279365261	268084454	/nfs/dbraw/zinc/08/44/54/268084454.db2.gz	KWBKJLBXUSFXOZ-IBGZPJMESA-N	0	3	315.376	2.825	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2Cc3ccccc3CO2)cc1	ZINC000377145591	268089322	/nfs/dbraw/zinc/08/93/22/268089322.db2.gz	AYRFKUYVZHJABP-GOSISDBHSA-N	0	3	317.348	2.715	20	30		DFEDHN
Cc1oc([N-]C(=O)C[NH2+][C@@H]2CC3CCC2CC3)c(C#N)c1C	ZINC000433063119	268105138	/nfs/dbraw/zinc/10/51/38/268105138.db2.gz	RAGDDUPQPKTKRB-SSDMNJCBSA-N	0	3	301.390	2.875	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H](C4CC4)C3)C2=O)cc1	ZINC000352778600	268110383	/nfs/dbraw/zinc/11/03/83/268110383.db2.gz	LDGCRWJIVCVOIT-SJLPKXTDSA-N	0	3	309.413	2.786	20	30		DFEDHN
CN(C)C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000194720553	268113179	/nfs/dbraw/zinc/11/31/79/268113179.db2.gz	XFTAMHXRVIDAQB-SFHVURJKSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2=O)cc1	ZINC000274233127	268115554	/nfs/dbraw/zinc/11/55/54/268115554.db2.gz	TUTZLPZZCJWAOM-NUJGCVRESA-N	0	3	322.412	2.726	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@@H]3CCCC(F)(F)C3)CC2)nc1	ZINC000338238162	268116839	/nfs/dbraw/zinc/11/68/39/268116839.db2.gz	ZFGSITOKEYIHIZ-CQSZACIVSA-N	0	3	320.387	2.901	20	30		DFEDHN
Cn1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1C#N	ZINC000449764923	268129057	/nfs/dbraw/zinc/12/90/57/268129057.db2.gz	FJCBGNDQSQWKGW-INIZCTEOSA-N	0	3	315.442	2.952	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1F	ZINC000530021792	268159712	/nfs/dbraw/zinc/15/97/12/268159712.db2.gz	DLJXSSZQOAOQFQ-CYBMUJFWSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)cc1	ZINC000530028860	268208286	/nfs/dbraw/zinc/20/82/86/268208286.db2.gz	RSXXGVGLYKKJIZ-SFHVURJKSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1F	ZINC000421359485	268233485	/nfs/dbraw/zinc/23/34/85/268233485.db2.gz	WXWBSZRYJCGPSY-PKOBYXMFSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)o1	ZINC000428536015	268233538	/nfs/dbraw/zinc/23/35/38/268233538.db2.gz	LVLWCWWQYVNIGG-IAGOWNOFSA-N	0	3	300.333	2.546	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1	ZINC000433795743	268250052	/nfs/dbraw/zinc/25/00/52/268250052.db2.gz	ZPBAKRNQNRARGQ-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc([C@@H](NCC(C2CCC2)C2CCC2)C(N)=O)cc1	ZINC000530126035	268261984	/nfs/dbraw/zinc/26/19/84/268261984.db2.gz	NTZURISSCQEJLL-GOSISDBHSA-N	0	3	311.429	2.891	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCN2C2CCCC2)c1	ZINC000530023018	268288358	/nfs/dbraw/zinc/28/83/58/268288358.db2.gz	QYVXWSUYLHDUQD-CEXWTWQISA-N	0	3	323.440	2.795	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)c1	ZINC000349967325	268294077	/nfs/dbraw/zinc/29/40/77/268294077.db2.gz	SSLWCZMARPQJHD-MOPGFXCFSA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1ccnc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1	ZINC000367517681	268295888	/nfs/dbraw/zinc/29/58/88/268295888.db2.gz	DBGNUAKMWPQUSY-MSOLQXFVSA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1cscc1C(=O)N[C@@H]1CCN(CC2CCCC2)C1	ZINC000341124698	268321621	/nfs/dbraw/zinc/32/16/21/268321621.db2.gz	PPBJUDODITXZON-CQSZACIVSA-N	0	3	303.431	2.614	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2cccnc2C#N)C1	ZINC000323840611	268350025	/nfs/dbraw/zinc/35/00/25/268350025.db2.gz	VWTPWYRHZFQTPV-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000125613093	425981644	/nfs/dbraw/zinc/98/16/44/425981644.db2.gz	SCWCBLDAIQUYFQ-OIISXLGYSA-N	0	3	300.402	2.812	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1	ZINC000107487596	425992867	/nfs/dbraw/zinc/99/28/67/425992867.db2.gz	KYUGFTKYYXTMKU-DLBZAZTESA-N	0	3	316.832	2.657	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(O)cc2)CC1	ZINC000124892702	425942895	/nfs/dbraw/zinc/94/28/95/425942895.db2.gz	FBCJKIKFBGPYNT-VMPITWQZSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2noc3ccccc32)CC1	ZINC000106038810	425970302	/nfs/dbraw/zinc/97/03/02/425970302.db2.gz	FYNYNWYXJWVGSR-UHFFFAOYSA-N	0	3	313.401	2.527	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(C(C)(C)C)c2C)CC1	ZINC000106036261	425970387	/nfs/dbraw/zinc/97/03/87/425970387.db2.gz	AXYOQNLMVPHPKM-UHFFFAOYSA-N	0	3	318.465	2.717	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OCC)cc2)CC1	ZINC000106039433	425970713	/nfs/dbraw/zinc/97/07/13/425970713.db2.gz	YREQQIKKSOGEOG-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1	ZINC000106039897	425970761	/nfs/dbraw/zinc/97/07/61/425970761.db2.gz	YZFKZPZWMUDYQM-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)S1	ZINC000070383271	425971446	/nfs/dbraw/zinc/97/14/46/425971446.db2.gz	GUAYWRSMBAEVOS-STQMWFEESA-N	0	3	303.431	2.713	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1	ZINC000111259100	426042045	/nfs/dbraw/zinc/04/20/45/426042045.db2.gz	OXYYSYRJHXPINM-ZDUSSCGKSA-N	0	3	304.459	2.919	20	30		DFEDHN
N#Cc1cccc(OCCN(CCO)[C@@H]2CCc3ccccc32)c1	ZINC000074311702	426044991	/nfs/dbraw/zinc/04/49/91/426044991.db2.gz	SADAADUWCZELRH-HXUWFJFHSA-N	0	3	322.408	2.919	20	30		DFEDHN
C=CCc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1O	ZINC000127014449	426047974	/nfs/dbraw/zinc/04/79/74/426047974.db2.gz	LEWUKUXBNADWRT-UHFFFAOYSA-N	0	3	304.434	2.655	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(F)c(C#N)c1	ZINC000162423246	426063452	/nfs/dbraw/zinc/06/34/52/426063452.db2.gz	XKMLZNCOJQANON-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCC[C@@H]1CN1CCOCC1	ZINC000075968718	426091876	/nfs/dbraw/zinc/09/18/76/426091876.db2.gz	HRXWFYFUSQHNGA-QFBILLFUSA-N	0	3	313.445	2.806	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C	ZINC000076389748	426111312	/nfs/dbraw/zinc/11/13/12/426111312.db2.gz	MRFVZUYDTGTQFD-DZKIICNBSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000128424546	426116697	/nfs/dbraw/zinc/11/66/97/426116697.db2.gz	GRWHPCAHBOQZQL-SJORKVTESA-N	0	3	305.418	2.700	20	30		DFEDHN
C=CCC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1	ZINC000128424546	426116700	/nfs/dbraw/zinc/11/67/00/426116700.db2.gz	GRWHPCAHBOQZQL-SJORKVTESA-N	0	3	305.418	2.700	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000164688424	426116915	/nfs/dbraw/zinc/11/69/15/426116915.db2.gz	LZMBEGASEGQHEA-OAHLLOKOSA-N	0	3	316.445	2.585	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000114188460	426129604	/nfs/dbraw/zinc/12/96/04/426129604.db2.gz	OQFGOFJFRHHEFF-CYBMUJFWSA-N	0	3	303.324	2.953	20	30		DFEDHN
CN(CCCC#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000114461310	426135830	/nfs/dbraw/zinc/13/58/30/426135830.db2.gz	JIEIFEWRYJVYGL-CYBMUJFWSA-N	0	3	316.323	2.681	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C	ZINC000112644365	426086654	/nfs/dbraw/zinc/08/66/54/426086654.db2.gz	MECDLJKVVHSUMF-QWHCGFSZSA-N	0	3	303.431	2.713	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000112644357	426086729	/nfs/dbraw/zinc/08/67/29/426086729.db2.gz	MECDLJKVVHSUMF-OLZOCXBDSA-N	0	3	303.431	2.713	20	30		DFEDHN
CNC(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000171633347	426201418	/nfs/dbraw/zinc/20/14/18/426201418.db2.gz	ZKAHFDPCTXXGQW-LJQANCHMSA-N	0	3	319.408	2.936	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)NCc1ccccc1OCCN(C)C	ZINC000134993035	426202580	/nfs/dbraw/zinc/20/25/80/426202580.db2.gz	ZEVHNEUHLIEIJT-GOSISDBHSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C3CCOCC3)CC2)cc1	ZINC000129721896	426140377	/nfs/dbraw/zinc/14/03/77/426140377.db2.gz	DFHJELMSEYBAAN-UHFFFAOYSA-N	0	3	316.445	2.548	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000129462139	426140635	/nfs/dbraw/zinc/14/06/35/426140635.db2.gz	WEZMJQUZQZDTJX-YESZJQIVSA-N	0	3	318.465	2.579	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccs1	ZINC000129830943	426141141	/nfs/dbraw/zinc/14/11/41/426141141.db2.gz	PNASPNRPOSKTRB-UKRRQHHQSA-N	0	3	317.458	2.941	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cn1	ZINC000115322027	426161373	/nfs/dbraw/zinc/16/13/73/426161373.db2.gz	BINMIIFYCPPKLA-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
C=CCCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000132732334	426171612	/nfs/dbraw/zinc/17/16/12/426171612.db2.gz	XEWPZJRXDDEJJI-INIZCTEOSA-N	0	3	322.474	2.561	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(O)cc1)C(C)C	ZINC000132909389	426171959	/nfs/dbraw/zinc/17/19/59/426171959.db2.gz	UEWSGXBNTGVAHQ-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccc(C#N)cc1	ZINC000115802868	426174386	/nfs/dbraw/zinc/17/43/86/426174386.db2.gz	NRQCQHZGZDOPIO-ZBFHGGJFSA-N	0	3	314.433	2.602	20	30		DFEDHN
C=CCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)CC1CCCCC1	ZINC000078652329	426179095	/nfs/dbraw/zinc/17/90/95/426179095.db2.gz	SYYMXXHEYBOOHO-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3nc(OC)ccc3c2)CC1	ZINC000171310145	426183295	/nfs/dbraw/zinc/18/32/95/426183295.db2.gz	PBLOQEAAFOIYOZ-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCCO[C@@H](C)C1)C(C)C	ZINC000171308150	426183711	/nfs/dbraw/zinc/18/37/11/426183711.db2.gz	OAOFMARPJIGJLW-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2ccccc2)CC1	ZINC000171724698	426206275	/nfs/dbraw/zinc/20/62/75/426206275.db2.gz	BNTRRRIYSCIYSX-UHFFFAOYSA-N	0	3	302.418	2.612	20	30		DFEDHN
CC[C@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000134500530	426186496	/nfs/dbraw/zinc/18/64/96/426186496.db2.gz	WOTQHUOASNJFJW-PMACEKPBSA-N	0	3	324.424	2.865	20	30		DFEDHN
CC(C)(C)OC(=O)NCC(C)(C)NCc1cccc(C#N)c1	ZINC000171440251	426190232	/nfs/dbraw/zinc/19/02/32/426190232.db2.gz	CAOHIMIBXYYFRZ-UHFFFAOYSA-N	0	3	303.406	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cc3ccccc3o2)CC1	ZINC000171717330	426206414	/nfs/dbraw/zinc/20/64/14/426206414.db2.gz	IYYWDYXSZQWCRS-UHFFFAOYSA-N	0	3	313.401	2.882	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccn1)C(C)C	ZINC000079440387	426194025	/nfs/dbraw/zinc/19/40/25/426194025.db2.gz	VIFXIYTZVBYXAD-OAHLLOKOSA-N	0	3	302.422	2.902	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000079495719	426194667	/nfs/dbraw/zinc/19/46/67/426194667.db2.gz	IRVCKVHPQSLCPA-KRWDZBQOSA-N	0	3	316.449	2.676	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2cnc(C)s2)CC1	ZINC000171560852	426194827	/nfs/dbraw/zinc/19/48/27/426194827.db2.gz	QUUJFDQZPYWCSV-UHFFFAOYSA-N	0	3	322.478	2.633	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2)CN1Cc1ccccc1	ZINC000134874146	426197858	/nfs/dbraw/zinc/19/78/58/426197858.db2.gz	IFXZUJDJZDZQIK-KXBFYZLASA-N	0	3	319.408	2.951	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1	ZINC000117793419	426222845	/nfs/dbraw/zinc/22/28/45/426222845.db2.gz	VVWJMYYCRYMVIT-KDOFPFPSSA-N	0	3	314.429	2.708	20	30		DFEDHN
Cc1ccc(N2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)nn1	ZINC000118397906	426235809	/nfs/dbraw/zinc/23/58/09/426235809.db2.gz	AMKQQWCKFHJRLH-INIZCTEOSA-N	0	3	321.428	2.930	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCN(c2cccnn2)CC1	ZINC000118397891	426235900	/nfs/dbraw/zinc/23/59/00/426235900.db2.gz	SYODJNHBTRFMOV-OAHLLOKOSA-N	0	3	307.401	2.622	20	30		DFEDHN
C=CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000173723812	426245818	/nfs/dbraw/zinc/24/58/18/426245818.db2.gz	QLOSSXWMPIZKFH-UHFFFAOYSA-N	0	3	306.362	2.880	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccc(-n3cccn3)cc2)cc1	ZINC000174560837	426259705	/nfs/dbraw/zinc/25/97/05/426259705.db2.gz	AHFMIGRQXCBDSK-UHFFFAOYSA-N	0	3	318.380	2.913	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCO[C@H](C)CC(C)C)CC1	ZINC000087318118	426270158	/nfs/dbraw/zinc/27/01/58/426270158.db2.gz	SQGXDSDITAPBNZ-MRXNPFEDSA-N	0	3	310.482	2.984	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3ncsc3c2)CC1	ZINC000171724705	426207012	/nfs/dbraw/zinc/20/70/12/426207012.db2.gz	MLFSMGRKGVFMKD-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sc(CCC)nc2C)CC1	ZINC000171718658	426207157	/nfs/dbraw/zinc/20/71/57/426207157.db2.gz	VMHLQHDAKNVFMZ-UHFFFAOYSA-N	0	3	307.463	2.784	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC)Cc2ccccc2)CC1	ZINC000171733525	426207588	/nfs/dbraw/zinc/20/75/88/426207588.db2.gz	OYHHWMIIROUMFZ-QGZVFWFLSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000171739423	426208235	/nfs/dbraw/zinc/20/82/35/426208235.db2.gz	GRJGMLPELRNTQW-UHFFFAOYSA-N	0	3	318.377	2.675	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCCc3ccccc3C2)CC1	ZINC000171741296	426209235	/nfs/dbraw/zinc/20/92/35/426209235.db2.gz	CPMYWRRQYCOIJY-UHFFFAOYSA-N	0	3	313.445	2.795	20	30		DFEDHN
CCn1cc(CNCCSCc2ccccc2C#N)cn1	ZINC000171835131	426214484	/nfs/dbraw/zinc/21/44/84/426214484.db2.gz	GRPPCZXPLHJKLL-UHFFFAOYSA-N	0	3	300.431	2.798	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](C)c1ccc2ccccc2c1	ZINC000120446000	426311097	/nfs/dbraw/zinc/31/10/97/426311097.db2.gz	NNZNSSVKZMPEHI-CYBMUJFWSA-N	0	3	311.385	2.502	20	30		DFEDHN
C=CCCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1	ZINC000175578826	426315244	/nfs/dbraw/zinc/31/52/44/426315244.db2.gz	TZUMNAHGDCMMMC-UHFFFAOYSA-N	0	3	316.445	2.616	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2OCC(F)F)CC1	ZINC000151870698	426317053	/nfs/dbraw/zinc/31/70/53/426317053.db2.gz	BMAZDNSDSWPEEV-UHFFFAOYSA-N	0	3	322.355	2.614	20	30		DFEDHN
CCNC(=O)C(C)(C)CNCc1cccc(OCCCC#N)c1	ZINC000121009359	426319682	/nfs/dbraw/zinc/31/96/82/426319682.db2.gz	MLGAMCBKHPRWQO-UHFFFAOYSA-N	0	3	317.433	2.621	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1	ZINC000121192679	426323832	/nfs/dbraw/zinc/32/38/32/426323832.db2.gz	YGBCJASUVFJXTF-PBHICJAKSA-N	0	3	302.418	2.664	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCCN(CC(F)F)CC2)c1	ZINC000091083691	426338786	/nfs/dbraw/zinc/33/87/86/426338786.db2.gz	FOBLMHQSAIYECW-UHFFFAOYSA-N	0	3	323.387	2.600	20	30		DFEDHN
Cc1cccc([C@H](C)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000153622904	426395314	/nfs/dbraw/zinc/39/53/14/426395314.db2.gz	SZKOGGNGOYGXKH-RDTXWAMCSA-N	0	3	307.397	2.786	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1	ZINC000091855952	426345301	/nfs/dbraw/zinc/34/53/01/426345301.db2.gz	LPIXDHRISDUCOD-COXVUDFISA-N	0	3	318.442	2.684	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)CCN1C	ZINC000176088657	426350847	/nfs/dbraw/zinc/35/08/47/426350847.db2.gz	HMNRKIRCMRSPMY-RISCZKNCSA-N	0	3	304.369	2.644	20	30		DFEDHN
C=CCOc1ccc(CN2CCCN(c3cccnn3)CC2)cc1	ZINC000093149862	426354099	/nfs/dbraw/zinc/35/40/99/426354099.db2.gz	CSUYQWOZEVGWPW-UHFFFAOYSA-N	0	3	324.428	2.754	20	30		DFEDHN
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1	ZINC000093819784	426357802	/nfs/dbraw/zinc/35/78/02/426357802.db2.gz	QOMJXQFUCBVWQY-UHFFFAOYSA-N	0	3	314.429	2.531	20	30		DFEDHN
CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C#N)cc1	ZINC000176220177	426361741	/nfs/dbraw/zinc/36/17/41/426361741.db2.gz	PUOIRBMSTVICBI-UHFFFAOYSA-N	0	3	313.361	2.574	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1	ZINC000153116606	426371555	/nfs/dbraw/zinc/37/15/55/426371555.db2.gz	ZEFARLVAVZTRMA-ZDUSSCGKSA-N	0	3	318.465	2.677	20	30		DFEDHN
CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000153827294	426408707	/nfs/dbraw/zinc/40/87/07/426408707.db2.gz	NVZGIGOPSSWBGK-OAHLLOKOSA-N	0	3	313.445	2.931	20	30		DFEDHN
COCc1ccccc1CNCc1cnc2ccc(C#N)cn12	ZINC000123220819	426421404	/nfs/dbraw/zinc/42/14/04/426421404.db2.gz	BYNITBYNLNGYHL-UHFFFAOYSA-N	0	3	306.369	2.642	20	30		DFEDHN
N#Cc1ccc(CNCCCNC(=O)c2cccs2)s1	ZINC000176969331	426429269	/nfs/dbraw/zinc/42/92/69/426429269.db2.gz	TXUCWVGGGTYLLL-UHFFFAOYSA-N	0	3	305.428	2.591	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1c(F)cc(C#N)cc1F	ZINC000154763829	426453873	/nfs/dbraw/zinc/45/38/73/426453873.db2.gz	HTATUIQJFMLSOH-ZDUSSCGKSA-N	0	3	321.371	2.831	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1C1CCCCC1	ZINC000097259100	426461680	/nfs/dbraw/zinc/46/16/80/426461680.db2.gz	UOOHZYCBJSANJH-KRWDZBQOSA-N	0	3	316.449	2.687	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(C)cccc2OC(F)F)CC1	ZINC000102257165	426488297	/nfs/dbraw/zinc/48/82/97/426488297.db2.gz	CCPUSLYTZJJDRY-UHFFFAOYSA-N	0	3	322.355	2.880	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2c(C)onc2CC)CC1	ZINC000155419659	426471247	/nfs/dbraw/zinc/47/12/47/426471247.db2.gz	JBXILLKEZQATNP-UHFFFAOYSA-N	0	3	306.410	2.707	20	30		DFEDHN
C=CCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177379510	426474542	/nfs/dbraw/zinc/47/45/42/426474542.db2.gz	NEMSLEBIJRMGIS-CQSZACIVSA-N	0	3	300.324	2.962	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000098024866	426476063	/nfs/dbraw/zinc/47/60/63/426476063.db2.gz	DSCLLSQDUOONSN-HUUCEWRRSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccc(F)cc2)CC1	ZINC000264377238	426544008	/nfs/dbraw/zinc/54/40/08/426544008.db2.gz	KNJANDZJNUBURP-UHFFFAOYSA-N	0	3	319.424	2.708	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NCCN1CCC[C@H](C)C1	ZINC000272525025	426548575	/nfs/dbraw/zinc/54/85/75/426548575.db2.gz	ZYYZRABFDJWIKX-INIZCTEOSA-N	0	3	319.449	2.752	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000264415144	426548824	/nfs/dbraw/zinc/54/88/24/426548824.db2.gz	PTZQCTYQJONYBR-CQSZACIVSA-N	0	3	312.417	2.569	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(F)cc2F)CC1	ZINC000264415524	426549070	/nfs/dbraw/zinc/54/90/70/426549070.db2.gz	VGABHPYUFZNBJM-UHFFFAOYSA-N	0	3	323.387	2.805	20	30		DFEDHN
CN(C)c1noc([C@H]2CCCN(CC(C)(C)CCC#N)C2)n1	ZINC000194939090	426496155	/nfs/dbraw/zinc/49/61/55/426496155.db2.gz	MEBHXORXFQYZCH-ZDUSSCGKSA-N	0	3	305.426	2.645	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280426574	426574347	/nfs/dbraw/zinc/57/43/47/426574347.db2.gz	PUZHEYVRIBKLCY-HOTGVXAUSA-N	0	3	313.426	2.595	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](O)C(C)(C)C2)ccc1OC	ZINC000280494473	426587478	/nfs/dbraw/zinc/58/74/78/426587478.db2.gz	PBDCWDLECAKLQU-QGZVFWFLSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1	ZINC000264462603	426558459	/nfs/dbraw/zinc/55/84/59/426558459.db2.gz	GSLUGTYBFPKFAL-UHFFFAOYSA-N	0	3	321.406	2.756	20	30		DFEDHN
N#Cc1cccc(/C=C/C(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000264474280	426559417	/nfs/dbraw/zinc/55/94/17/426559417.db2.gz	GWWCXEBBGAQJFY-DVBCCOPCSA-N	0	3	309.413	2.658	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000187231244	426641317	/nfs/dbraw/zinc/64/13/17/426641317.db2.gz	ULZAZCDBECBAKY-CRAIPNDOSA-N	0	3	304.434	2.777	20	30		DFEDHN
C[C@H](CO)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000289428244	426654210	/nfs/dbraw/zinc/65/42/10/426654210.db2.gz	KIEKBJQZBKGHPB-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@@]2(N(C)C)CCSC2)c1C#N	ZINC000273396076	426655836	/nfs/dbraw/zinc/65/58/36/426655836.db2.gz	VRLOQPLXZHEDJF-AWEZNQCLSA-N	0	3	310.854	2.764	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1	ZINC000273465383	426669986	/nfs/dbraw/zinc/66/99/86/426669986.db2.gz	NROPBNFWTLZNMH-UHFFFAOYSA-N	0	3	322.340	2.506	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCCOC2)cc1OCCCC#N	ZINC000237148637	426689995	/nfs/dbraw/zinc/68/99/95/426689995.db2.gz	SFTWEXQMNZEXJM-OAHLLOKOSA-N	0	3	304.390	2.646	20	30		DFEDHN
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CCOC1	ZINC000178764567	426690071	/nfs/dbraw/zinc/69/00/71/426690071.db2.gz	ABEBLQYLIRSTJU-NEPJUHHUSA-N	0	3	321.808	2.507	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)C1=O	ZINC000281134851	426703306	/nfs/dbraw/zinc/70/33/06/426703306.db2.gz	ABCKUQIBRHBJPI-GOEBONIOSA-N	0	3	304.821	2.916	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290180406	426709849	/nfs/dbraw/zinc/70/98/49/426709849.db2.gz	NMYMWVSSOBVAJN-LBPRGKRZSA-N	0	3	318.396	2.891	20	30		DFEDHN
C#CCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)C1CC1	ZINC000274177429	426721093	/nfs/dbraw/zinc/72/10/93/426721093.db2.gz	OKQQQIKZTSQTMX-UHFFFAOYSA-N	0	3	306.793	2.775	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H]1CCOC1	ZINC000178777467	426693595	/nfs/dbraw/zinc/69/35/95/426693595.db2.gz	FJIISCQSUHYYLN-CABCVRRESA-N	0	3	322.474	2.620	20	30		DFEDHN
C=C(C)CNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000187831482	426696776	/nfs/dbraw/zinc/69/67/76/426696776.db2.gz	FRGUOMIGTSNGKB-UHFFFAOYSA-N	0	3	301.434	2.569	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CN1C1CC1	ZINC000290503688	426780036	/nfs/dbraw/zinc/78/00/36/426780036.db2.gz	AWYXREDRBAWANH-PWSUYJOCSA-N	0	3	315.808	2.896	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1F	ZINC000290259840	426726200	/nfs/dbraw/zinc/72/62/00/426726200.db2.gz	VAXNFAVQGQEKHG-UHFFFAOYSA-N	0	3	314.364	2.565	20	30		DFEDHN
CCNC(=O)c1ccc(CNCc2ccc(C#N)c(OC)c2)cc1	ZINC000281617690	426730559	/nfs/dbraw/zinc/73/05/59/426730559.db2.gz	HFCLZUHOFVAXNO-UHFFFAOYSA-N	0	3	323.396	2.606	20	30		DFEDHN
CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000245446293	426740088	/nfs/dbraw/zinc/74/00/88/426740088.db2.gz	LALHOVVXEXPVBI-SOUVJXGZSA-N	0	3	311.495	2.601	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)c1	ZINC000274345223	426748090	/nfs/dbraw/zinc/74/80/90/426748090.db2.gz	QOIYAHWLLAMXLW-UHFFFAOYSA-N	0	3	300.362	2.531	20	30		DFEDHN
COc1cc(CN[C@@H](C)CNC(=O)OC(C)(C)C)ccc1C#N	ZINC000281724862	426752338	/nfs/dbraw/zinc/75/23/38/426752338.db2.gz	PJOGOKGOMWUTAI-LBPRGKRZSA-N	0	3	319.405	2.570	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCOCC2	ZINC000274388878	426758851	/nfs/dbraw/zinc/75/88/51/426758851.db2.gz	BOOFMWGHSJYXQX-IRXDYDNUSA-N	0	3	318.392	2.761	20	30		DFEDHN
CC(C)(C)CC(C)(C)NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290430165	426761706	/nfs/dbraw/zinc/76/17/06/426761706.db2.gz	VAFNGEWBVARKLF-UHFFFAOYSA-N	0	3	323.462	2.531	20	30		DFEDHN
C=CCN1CC[C@@H](N(CCCCOC)Cc2ccccc2)C1=O	ZINC000281907876	426789470	/nfs/dbraw/zinc/78/94/70/426789470.db2.gz	GFFIWWZJIWLWSU-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
COc1cc(CNC[C@](C)(O)C2CCCCC2)ccc1C#N	ZINC000281781180	426764709	/nfs/dbraw/zinc/76/47/09/426764709.db2.gz	SYSZUQXRVUEPQB-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
CC1CCC(CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1	ZINC000246080138	426797836	/nfs/dbraw/zinc/79/78/36/426797836.db2.gz	HVBFGTWEDMDSJI-HWOWSKLDSA-N	0	3	313.449	2.685	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCS[C@@H]3CCCC[C@@H]32)cc1	ZINC000246081438	426798033	/nfs/dbraw/zinc/79/80/33/426798033.db2.gz	TYMGDAVIRUJZID-GVDBMIGSSA-N	0	3	302.443	2.952	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1	ZINC000246196535	426809146	/nfs/dbraw/zinc/80/91/46/426809146.db2.gz	LPIXDHRISDUCOD-XOKHGSTOSA-N	0	3	318.442	2.684	20	30		DFEDHN
CCOC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000179938055	426825674	/nfs/dbraw/zinc/82/56/74/426825674.db2.gz	NUROZWQSIABUJS-UHFFFAOYSA-N	0	3	324.428	2.960	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cnc(C#N)cn1	ZINC000274726487	426826174	/nfs/dbraw/zinc/82/61/74/426826174.db2.gz	YYZJGDXCWNPOFU-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=C(C)CN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000180433978	426858021	/nfs/dbraw/zinc/85/80/21/426858021.db2.gz	ZZAMSPYIEGINOK-UHFFFAOYSA-N	0	3	315.461	2.865	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1nccnc1C#N	ZINC000267162041	426834694	/nfs/dbraw/zinc/83/46/94/426834694.db2.gz	ADQGKKUEQCKOTI-ZBFHGGJFSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1	ZINC000246491049	426838269	/nfs/dbraw/zinc/83/82/69/426838269.db2.gz	ANPFPALKRWUERM-FUHWJXTLSA-N	0	3	313.445	2.874	20	30		DFEDHN
COc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1C#N	ZINC000282178785	426845769	/nfs/dbraw/zinc/84/57/69/426845769.db2.gz	FMOMVZJDQLVPAL-QGZVFWFLSA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)C	ZINC000246025359	426790496	/nfs/dbraw/zinc/79/04/96/426790496.db2.gz	VJUOFVOEEZQKFZ-GVDBMIGSSA-N	0	3	323.481	2.504	20	30		DFEDHN
C#C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282721933	426921061	/nfs/dbraw/zinc/92/10/61/426921061.db2.gz	KTCNHLROFSLZEI-NVXWUHKLSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCSCCNCc1c(C)nn(-c2ccccn2)c1C	ZINC000282699998	426922092	/nfs/dbraw/zinc/92/20/92/426922092.db2.gz	QAPQMEHGQJYYBD-UHFFFAOYSA-N	0	3	302.447	2.893	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1(F)F	ZINC000290908633	426864964	/nfs/dbraw/zinc/86/49/64/426864964.db2.gz	LKYCLERZGOGKFF-SWLSCSKDSA-N	0	3	317.339	2.744	20	30		DFEDHN
COc1cc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1C#N	ZINC000282276980	426868412	/nfs/dbraw/zinc/86/84/12/426868412.db2.gz	KUAKXAGNWNPELU-JKSUJKDBSA-N	0	3	302.418	2.796	20	30		DFEDHN
Cc1ccc(C#N)cc1OC[C@@H](O)CN1CCc2ccccc2C1	ZINC000305314555	426909543	/nfs/dbraw/zinc/90/95/43/426909543.db2.gz	MNLYRVQUQKCXHZ-IBGZPJMESA-N	0	3	322.408	2.665	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(SCC#N)c2)C1	ZINC000247527957	426947033	/nfs/dbraw/zinc/94/70/33/426947033.db2.gz	ZNXNFFHKBYKNKT-XJKSGUPXSA-N	0	3	317.458	2.761	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)s1	ZINC000247638418	426955800	/nfs/dbraw/zinc/95/58/00/426955800.db2.gz	VJVQJFISYASWOM-OLZOCXBDSA-N	0	3	322.478	2.591	20	30		DFEDHN
COc1cc(OC)cc(N2CCCN(CCCC#N)CC2)c1	ZINC000268240429	426962709	/nfs/dbraw/zinc/96/27/09/426962709.db2.gz	GRGOLDKXNRAPLF-UHFFFAOYSA-N	0	3	303.406	2.520	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)NC12CCC2)c1ccc(C#N)c(F)c1	ZINC000283145955	426963084	/nfs/dbraw/zinc/96/30/84/426963084.db2.gz	HQDRJZCFOUGNKT-NHYWBVRUSA-N	0	3	301.365	2.549	20	30		DFEDHN
CC(C)N1CC[C@@H](Nc2ncc(Br)cc2C#N)C1	ZINC000295480803	426977627	/nfs/dbraw/zinc/97/76/27/426977627.db2.gz	JFNHHWQMYBNXNK-GFCCVEGCSA-N	0	3	309.211	2.610	20	30		DFEDHN
CN(C)c1ncc(NC(=O)[C@H]2CCCN2C2CCCC2)cn1	ZINC000328642646	426985787	/nfs/dbraw/zinc/98/57/87/426985787.db2.gz	DYMNOFVSVVQAMC-CQSZACIVSA-N	0	3	303.410	2.538	20	30		DFEDHN
C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)Nc1nccs1	ZINC000328671730	426987066	/nfs/dbraw/zinc/98/70/66/426987066.db2.gz	HMOANFUFAJWIEO-YFKTTZPYSA-N	0	3	307.419	2.667	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1coc(C2CCOCC2)n1	ZINC000328754286	426993182	/nfs/dbraw/zinc/99/31/82/426993182.db2.gz	SFLMDUXHMDKPRK-CQSZACIVSA-N	0	3	321.421	2.748	20	30		DFEDHN
CC(C(=O)NC1CCCCCC1)S(=O)(=O)C1CCOCC1	ZINC000328789125	426998351	/nfs/dbraw/zinc/99/83/51/426998351.db2.gz	PRUKEIUPMXFEBP-GFCCVEGCSA-N	0	3	317.451	2.648	20	30		DFEDHN
Cc1ccc(CN(CCO)CCOc2ccc(C#N)cc2)cc1	ZINC000181963156	426999726	/nfs/dbraw/zinc/99/97/26/426999726.db2.gz	DDADUSSKXCBLAE-UHFFFAOYSA-N	0	3	310.397	2.740	20	30		DFEDHN
COc1ccccc1CON=C(N)c1ccc(CN(C)C)cc1	ZINC000268414449	427011301	/nfs/dbraw/zinc/01/13/01/427011301.db2.gz	PGIBGKDSNBBLGX-UHFFFAOYSA-N	0	3	313.401	2.594	20	30		DFEDHN
O=C(CCc1ccc2c(c1)OCCO2)N[C@H]1CCN(C2CC2)C1	ZINC000328973861	427019773	/nfs/dbraw/zinc/01/97/73/427019773.db2.gz	CFGARJDXZYREBU-AWEZNQCLSA-N	0	3	316.401	2.584	20	30		DFEDHN
CN1C[C@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](c2ccccc2)C1	ZINC000329025843	427027001	/nfs/dbraw/zinc/02/70/01/427027001.db2.gz	NWCCKFRHGPXEEV-RYRKJORJSA-N	0	3	302.418	2.592	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CC1	ZINC000182212567	427029214	/nfs/dbraw/zinc/02/92/14/427029214.db2.gz	LCJKBTGMCPWQPX-BEFAXECRSA-N	0	3	310.441	2.690	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337914827	427035353	/nfs/dbraw/zinc/03/53/53/427035353.db2.gz	SQKOBABQAMVHKR-CABCVRRESA-N	0	3	305.470	2.754	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268523323	427042238	/nfs/dbraw/zinc/04/22/38/427042238.db2.gz	VJSVEYSFOVYHMA-FRRDWIJNSA-N	0	3	317.393	2.640	20	30		DFEDHN
CCC1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCOCC1	ZINC000329096053	427043848	/nfs/dbraw/zinc/04/38/48/427043848.db2.gz	LCDNWKYBCWXMBX-MRXNPFEDSA-N	0	3	324.465	2.793	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268530050	427045617	/nfs/dbraw/zinc/04/56/17/427045617.db2.gz	INWOJBIVGHVTSV-LJQANCHMSA-N	0	3	319.408	2.905	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000248853865	427053974	/nfs/dbraw/zinc/05/39/74/427053974.db2.gz	PDCGAYYAVUFQHX-FGTMMUONSA-N	0	3	311.429	2.850	20	30		DFEDHN
CN1CC=C(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CC1	ZINC000329221296	427067263	/nfs/dbraw/zinc/06/72/63/427067263.db2.gz	UPGBLCBVXYECHW-LBPRGKRZSA-N	0	3	307.419	2.561	20	30		DFEDHN
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329504495	427128547	/nfs/dbraw/zinc/12/85/47/427128547.db2.gz	ACTXEAXQTYETNG-UMVBOHGHSA-N	0	3	302.422	2.739	20	30		DFEDHN
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329504495	427128552	/nfs/dbraw/zinc/12/85/52/427128552.db2.gz	ACTXEAXQTYETNG-UMVBOHGHSA-N	0	3	302.422	2.739	20	30		DFEDHN
COCCN(Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268644435	427078025	/nfs/dbraw/zinc/07/80/25/427078025.db2.gz	UARVTJLAGMOABH-LJQANCHMSA-N	0	3	310.397	2.740	20	30		DFEDHN
CCOC(=O)c1csc(CCNCc2cc(C#N)cs2)n1	ZINC000190343785	427078534	/nfs/dbraw/zinc/07/85/34/427078534.db2.gz	OVMQNCREJFIRRQ-UHFFFAOYSA-N	0	3	321.427	2.585	20	30		DFEDHN
CCOC(=O)c1csc(CCNCc2ccc(C#N)cc2)n1	ZINC000190338982	427078810	/nfs/dbraw/zinc/07/88/10/427078810.db2.gz	SZGNFQQTTHFFIZ-UHFFFAOYSA-N	0	3	315.398	2.524	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)NCc2cccc(C#N)c2)cc1	ZINC000283804488	427079248	/nfs/dbraw/zinc/07/92/48/427079248.db2.gz	AVRDPNDRYSSBTL-IBGZPJMESA-N	0	3	309.413	2.959	20	30		DFEDHN
CCOC(=O)c1csc(CCNCc2cccc(C#N)c2)n1	ZINC000190340287	427080919	/nfs/dbraw/zinc/08/09/19/427080919.db2.gz	UQRXLFVZLFLBMI-UHFFFAOYSA-N	0	3	315.398	2.524	20	30		DFEDHN
COCCN1CC[C@@H](NC(=O)NCC2(C)CCCCCC2)C1	ZINC000329305840	427086482	/nfs/dbraw/zinc/08/64/82/427086482.db2.gz	XRMCDEARNMLXEG-OAHLLOKOSA-N	0	3	311.470	2.571	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1C1CC1)C(C)C	ZINC000190412048	427100856	/nfs/dbraw/zinc/10/08/56/427100856.db2.gz	UDLYYNUSCFXDLC-INIZCTEOSA-N	0	3	316.449	2.716	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000249275854	427101802	/nfs/dbraw/zinc/10/18/02/427101802.db2.gz	LVPNARHYSRMOPZ-APWZRJJASA-N	0	3	318.461	2.852	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H](CO)Cc1ccc(F)cc1	ZINC000276611413	427116155	/nfs/dbraw/zinc/11/61/55/427116155.db2.gz	FMQFSMVPNQIFMO-GOSISDBHSA-N	0	3	313.372	2.531	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000249461642	427117039	/nfs/dbraw/zinc/11/70/39/427117039.db2.gz	PCHXDDZCTYRMRQ-KBXCAEBGSA-N	0	3	311.429	2.857	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1cc[nH]n1	ZINC000329459499	427119068	/nfs/dbraw/zinc/11/90/68/427119068.db2.gz	RQMKGROPBRVTIF-GDBMZVCRSA-N	0	3	319.453	2.725	20	30		DFEDHN
CC(=O)Nc1nc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cs1	ZINC000329473311	427121616	/nfs/dbraw/zinc/12/16/16/427121616.db2.gz	AOAAVQSQHLMCHJ-VIFPVBQESA-N	0	3	308.407	2.706	20	30		DFEDHN
CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000190484843	427122012	/nfs/dbraw/zinc/12/20/12/427122012.db2.gz	XSBJQQYQLLUBFR-HXUWFJFHSA-N	0	3	320.440	2.907	20	30		DFEDHN
Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000329467244	427122887	/nfs/dbraw/zinc/12/28/87/427122887.db2.gz	WLISWRSLRDWYIE-QMTHXVAHSA-N	0	3	320.437	2.513	20	30		DFEDHN
COc1cccc2c1CCN(C[C@H](O)c1ccc(C#N)cc1)C2	ZINC000182681629	427125037	/nfs/dbraw/zinc/12/50/37/427125037.db2.gz	VCTWADMEEJXXET-SFHVURJKSA-N	0	3	308.381	2.659	20	30		DFEDHN
O=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329504496	427126883	/nfs/dbraw/zinc/12/68/83/427126883.db2.gz	ACTXEAXQTYETNG-VNHYZAJKSA-N	0	3	302.422	2.739	20	30		DFEDHN
O=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329504496	427126898	/nfs/dbraw/zinc/12/68/98/427126898.db2.gz	ACTXEAXQTYETNG-VNHYZAJKSA-N	0	3	302.422	2.739	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)C[C@@H](C)c2nccs2)CC1	ZINC000182727735	427131336	/nfs/dbraw/zinc/13/13/36/427131336.db2.gz	CYRNJEVWBICISI-CYBMUJFWSA-N	0	3	322.478	2.538	20	30		DFEDHN
C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)C1=CCN(C)CC1	ZINC000329529810	427135088	/nfs/dbraw/zinc/13/50/88/427135088.db2.gz	VJVUJFSETDEOKT-BBRMVZONSA-N	0	3	315.417	2.664	20	30		DFEDHN
N#Cc1ccc(OCCN2CCOC[C@@H](C3CCC3)C2)cc1	ZINC000292225763	427138581	/nfs/dbraw/zinc/13/85/81/427138581.db2.gz	VJLLOMLMSLDVFD-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
CCNC(=O)N1CC[C@H](N[C@H]2CCC(=O)Nc3ccccc32)C1	ZINC000329584309	427145628	/nfs/dbraw/zinc/14/56/28/427145628.db2.gz	LXFFDYHDUNKJHD-WFASDCNBSA-N	0	3	316.405	2.707	20	30		DFEDHN
CCN(CCNC(=O)Nc1ccc(C#N)cc1Cl)C1CC1	ZINC000269170363	427153224	/nfs/dbraw/zinc/15/32/24/427153224.db2.gz	XJVZPHBSTUOZAR-UHFFFAOYSA-N	0	3	306.797	2.817	20	30		DFEDHN
Cn1cc(CNC[C@H](c2ccco2)N2CCCCC2)cc1C#N	ZINC000190680341	427158506	/nfs/dbraw/zinc/15/85/06/427158506.db2.gz	TZBBRWSHBCVPCR-QGZVFWFLSA-N	0	3	312.417	2.807	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000277307665	427160037	/nfs/dbraw/zinc/16/00/37/427160037.db2.gz	DWVWTUMBEHSLCW-INIZCTEOSA-N	0	3	314.454	2.664	20	30		DFEDHN
N#Cc1cc(Cl)ccc1N1CCN(CC2CCOCC2)CC1	ZINC000265476580	271281632	/nfs/dbraw/zinc/28/16/32/271281632.db2.gz	FMYFBIWBFKBXBZ-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)cc1	ZINC000284890402	271341075	/nfs/dbraw/zinc/34/10/75/271341075.db2.gz	ZYYUVENMRFHNRW-WMZOPIPTSA-N	0	3	310.401	2.955	20	30		DFEDHN
CC[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)cc1	ZINC000284281710	427170850	/nfs/dbraw/zinc/17/08/50/427170850.db2.gz	JVTHYMNTWURRMH-ULQDDVLXSA-N	0	3	304.434	2.757	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H](C)[C@H](C)C(=O)OCC)cc1	ZINC000190958472	427216085	/nfs/dbraw/zinc/21/60/85/427216085.db2.gz	RKBICOVHDGSZBN-GJZGRUSLSA-N	0	3	303.402	2.766	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)NC[C@H]2CCCN2C)cc1C#N	ZINC000269370011	427182611	/nfs/dbraw/zinc/18/26/11/427182611.db2.gz	HIMYYXVZGYJSEU-OAHLLOKOSA-N	0	3	316.405	2.561	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@H]2CCN(C)[C@@H](C)C2)c1C	ZINC000252645913	427190140	/nfs/dbraw/zinc/19/01/40/427190140.db2.gz	CKCURYAEVMJXDV-YOEHRIQHSA-N	0	3	317.477	2.888	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000296502571	427201847	/nfs/dbraw/zinc/20/18/47/427201847.db2.gz	ZFTFSSOPOISNDF-CVEARBPZSA-N	0	3	315.417	2.678	20	30		DFEDHN
CC(C)[C@H](CNc1cccc(Cl)c1C#N)N1CCN(C)CC1	ZINC000296513604	427205266	/nfs/dbraw/zinc/20/52/66/427205266.db2.gz	MGBYWGZIRONMRF-KRWDZBQOSA-N	0	3	320.868	2.896	20	30		DFEDHN
Cc1scc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1C	ZINC000330652575	427284910	/nfs/dbraw/zinc/28/49/10/427284910.db2.gz	LIKIYRUCJJKVCO-AWEZNQCLSA-N	0	3	310.463	2.762	20	30		DFEDHN
C#CCOc1ccc(CNCCOCC(F)(F)C(F)F)cc1	ZINC000277519900	427229260	/nfs/dbraw/zinc/22/92/60/427229260.db2.gz	SMTXJFYCHXGMRZ-UHFFFAOYSA-N	0	3	319.298	2.705	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)c1	ZINC000338345988	427269225	/nfs/dbraw/zinc/26/92/25/427269225.db2.gz	GHHPRNQNUVRPLS-KRWDZBQOSA-N	0	3	323.396	2.793	20	30		DFEDHN
CCCCn1ncc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C	ZINC000330779392	427301547	/nfs/dbraw/zinc/30/15/47/427301547.db2.gz	WGSZDEAXBLGFMD-ZDUSSCGKSA-N	0	3	304.438	2.947	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1	ZINC000330796380	427304021	/nfs/dbraw/zinc/30/40/21/427304021.db2.gz	XOZACLIPHUHUDD-GFCCVEGCSA-N	0	3	301.390	2.600	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cnn(C(C)(C)C)c1	ZINC000330905825	427314641	/nfs/dbraw/zinc/31/46/41/427314641.db2.gz	ZSJXNNPKHDBSIO-ZDUSSCGKSA-N	0	3	321.469	2.846	20	30		DFEDHN
COCC(C)(C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000330934301	427316277	/nfs/dbraw/zinc/31/62/77/427316277.db2.gz	HZLCBFKQLIWVDG-GOEBONIOSA-N	0	3	319.449	2.751	20	30		DFEDHN
C[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)CN1Cc1ccccc1	ZINC000191316142	427316428	/nfs/dbraw/zinc/31/64/28/427316428.db2.gz	ZAERIUIKLAXMFN-MAUKXSAKSA-N	0	3	308.429	2.649	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1-n1cccn1	ZINC000191321231	427320082	/nfs/dbraw/zinc/32/00/82/427320082.db2.gz	PVFZLWKFYOFVOR-AWEZNQCLSA-N	0	3	305.385	2.933	20	30		DFEDHN
Cc1nc(C)c(C(=O)NCCN2CCCC(C)(C)C2)nc1C	ZINC000330972824	427320647	/nfs/dbraw/zinc/32/06/47/427320647.db2.gz	NKEUVXRUUSKJCS-UHFFFAOYSA-N	0	3	304.438	2.828	20	30		DFEDHN
C#CC[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccccc1	ZINC000270334383	427325031	/nfs/dbraw/zinc/32/50/31/427325031.db2.gz	MPAKHXPJAIGLRT-KRWDZBQOSA-N	0	3	301.434	2.733	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2cccc(C(N)=O)c2)C1	ZINC000330987532	427325268	/nfs/dbraw/zinc/32/52/68/427325268.db2.gz	REUIMPQNSQHKGM-UHFFFAOYSA-N	0	3	303.406	2.997	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000277811745	427327629	/nfs/dbraw/zinc/32/76/29/427327629.db2.gz	PNDAPVMZXBVYBA-RYUDHWBXSA-N	0	3	317.355	2.935	20	30		DFEDHN
Cn1cc(CN(CCO)[C@H]2CCCc3ccccc32)cc1C#N	ZINC000191360449	427328419	/nfs/dbraw/zinc/32/84/19/427328419.db2.gz	KCLKNTRLQYOMGM-IBGZPJMESA-N	0	3	309.413	2.769	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1ccccc1	ZINC000270368784	427335278	/nfs/dbraw/zinc/33/52/78/427335278.db2.gz	SVUSCJXONPFWBQ-FUHWJXTLSA-N	0	3	313.445	2.734	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)NC2CCN(C3CCC3)CC2)c(F)c1	ZINC000297143123	427339279	/nfs/dbraw/zinc/33/92/79/427339279.db2.gz	LIKJLAMJQRKEFE-UHFFFAOYSA-N	0	3	319.355	2.583	20	30		DFEDHN
C=CCN1CCC(Nc2ncc(Br)cc2C#N)CC1	ZINC000297160758	427344685	/nfs/dbraw/zinc/34/46/85/427344685.db2.gz	OXGIISVFTUKEJB-UHFFFAOYSA-N	0	3	321.222	2.778	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)ccc2Cl)CCN1C	ZINC000285838935	427351571	/nfs/dbraw/zinc/35/15/71/427351571.db2.gz	WISIBOVUKBINCT-WCQYABFASA-N	0	3	305.809	2.766	20	30		DFEDHN
CCCCn1ncc(NC(=O)NCC2=CCN(C)CC2)c1C	ZINC000330677335	427291449	/nfs/dbraw/zinc/29/14/49/427291449.db2.gz	BHHADYCJUNQWTH-UHFFFAOYSA-N	0	3	305.426	2.579	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1	ZINC000183568754	427293785	/nfs/dbraw/zinc/29/37/85/427293785.db2.gz	JROAZRBFQAUYRY-INIZCTEOSA-N	0	3	324.428	2.724	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H](C)Cc2cccc(OC)c2)CC1	ZINC000330708115	427296801	/nfs/dbraw/zinc/29/68/01/427296801.db2.gz	NETCIXXNCZOICY-AWEZNQCLSA-N	0	3	319.449	2.614	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N	ZINC000191562514	427379289	/nfs/dbraw/zinc/37/92/89/427379289.db2.gz	OFNHDQJQPARWNO-OAHLLOKOSA-N	0	3	314.820	2.919	20	30		DFEDHN
COCc1nc(C(=O)NCCN2CCCC(C)(C)C2)cs1	ZINC000331293931	427392776	/nfs/dbraw/zinc/39/27/76/427392776.db2.gz	MAMDJBHAOGCJLP-UHFFFAOYSA-N	0	3	311.451	2.716	20	30		DFEDHN
C#CCCCN1CCN(Cc2csc(C(C)(C)C)n2)CC1	ZINC000271065882	427393929	/nfs/dbraw/zinc/39/39/29/427393929.db2.gz	UHCGDCAQDIZNKL-UHFFFAOYSA-N	0	3	305.491	2.972	20	30		DFEDHN
COc1ccc(O)cc1C(=O)NCCN1CCCC(C)(C)C1	ZINC000331306089	427395821	/nfs/dbraw/zinc/39/58/21/427395821.db2.gz	VKMKJUBLBXRJDO-UHFFFAOYSA-N	0	3	306.406	2.827	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000285989619	427395826	/nfs/dbraw/zinc/39/58/26/427395826.db2.gz	FSMRRKOYIHDBHV-NWDGAFQWSA-N	0	3	309.460	2.822	20	30		DFEDHN
CC[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1	ZINC000191493831	427361089	/nfs/dbraw/zinc/36/10/89/427361089.db2.gz	FCYJLMSMRAKYKA-LJQANCHMSA-N	0	3	322.456	2.993	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(Cl)nc2C)CC1	ZINC000270780118	427366687	/nfs/dbraw/zinc/36/66/87/427366687.db2.gz	OMKOYOXFPZHICP-UHFFFAOYSA-N	0	3	321.852	2.743	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)cc1F)C2	ZINC000271208273	427449219	/nfs/dbraw/zinc/44/92/19/427449219.db2.gz	GYHAKQZSYFZGSQ-HNNXBMFYSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1OC	ZINC000271242671	427465078	/nfs/dbraw/zinc/46/50/78/427465078.db2.gz	GJRYIONVQBDXPQ-HZPDHXFCSA-N	0	3	305.418	2.853	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2n[nH]c(C)n2)C1	ZINC000271253163	427467360	/nfs/dbraw/zinc/46/73/60/427467360.db2.gz	FDTXLDVKAJKZDT-INIZCTEOSA-N	0	3	310.401	2.505	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2nc(C)n[nH]2)C1	ZINC000271253163	427467362	/nfs/dbraw/zinc/46/73/62/427467362.db2.gz	FDTXLDVKAJKZDT-INIZCTEOSA-N	0	3	310.401	2.505	20	30		DFEDHN
C=CCCCCC[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1	ZINC000278845724	427473360	/nfs/dbraw/zinc/47/33/60/427473360.db2.gz	LKTHKTDRGYZDCR-UHFFFAOYSA-N	0	3	320.437	2.907	20	30		DFEDHN
C=CCCCCC[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1	ZINC000278845724	427473366	/nfs/dbraw/zinc/47/33/66/427473366.db2.gz	LKTHKTDRGYZDCR-UHFFFAOYSA-N	0	3	320.437	2.907	20	30		DFEDHN
CC(C)CC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1	ZINC000331561238	427445152	/nfs/dbraw/zinc/44/51/52/427445152.db2.gz	QNZHPNTYZFCMNI-GOSISDBHSA-N	0	3	315.461	2.867	20	30		DFEDHN
C=C(C)Cn1c(C)nnc1N1CCN(C2CCCCC2)CC1	ZINC000338800421	427497326	/nfs/dbraw/zinc/49/73/26/427497326.db2.gz	PYDTXIWTXLKHJK-UHFFFAOYSA-N	0	3	303.454	2.617	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)cc1F	ZINC000192179315	427500224	/nfs/dbraw/zinc/50/02/24/427500224.db2.gz	PHRHJLWYTHPXAK-INIZCTEOSA-N	0	3	303.381	2.611	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000286355810	427501976	/nfs/dbraw/zinc/50/19/76/427501976.db2.gz	MVJRGQOBEUZURQ-WFASDCNBSA-N	0	3	300.362	2.529	20	30		DFEDHN
Cc1ccccc1CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000192244001	427509138	/nfs/dbraw/zinc/50/91/38/427509138.db2.gz	IKWWAYBKAICLLK-LJQANCHMSA-N	0	3	319.408	2.757	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1	ZINC000271415872	427529622	/nfs/dbraw/zinc/52/96/22/427529622.db2.gz	YLDKUHDNLGGHOE-LBPRGKRZSA-N	0	3	313.430	2.995	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)s1	ZINC000271415872	427529628	/nfs/dbraw/zinc/52/96/28/427529628.db2.gz	YLDKUHDNLGGHOE-LBPRGKRZSA-N	0	3	313.430	2.995	20	30		DFEDHN
C[C@H]1CN(CC2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000263688748	427542980	/nfs/dbraw/zinc/54/29/80/427542980.db2.gz	BXECFFPPMKZYHT-HOTGVXAUSA-N	0	3	313.445	2.884	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCCN(C(=O)CC3CCCC3)CC2)C1	ZINC000338905293	427549227	/nfs/dbraw/zinc/54/92/27/427549227.db2.gz	QGGSSLOHGYBGLQ-DLBZAZTESA-N	0	3	303.450	2.793	20	30		DFEDHN
C#CCOc1ccccc1CNC1CCN(c2ccccn2)CC1	ZINC000271468723	427550580	/nfs/dbraw/zinc/55/05/80/427550580.db2.gz	LKJUHVKQSFKEDW-UHFFFAOYSA-N	0	3	321.424	2.852	20	30		DFEDHN
C=C(C)[C@@H](NCCN1CCOC[C@@H]1C)c1ccc(F)c(F)c1	ZINC000192806430	427616317	/nfs/dbraw/zinc/61/63/17/427616317.db2.gz	AEWCVAFVNANGML-SUMWQHHRSA-N	0	3	310.388	2.892	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)CN1C1CC1	ZINC000287470379	427618775	/nfs/dbraw/zinc/61/87/75/427618775.db2.gz	MIOGMNIFWZXZIL-JQWIXIFHSA-N	0	3	303.793	2.567	20	30		DFEDHN
C=CCN(C(=O)NCCCN(C)Cc1ccccc1)C1CC1	ZINC000271489624	427558989	/nfs/dbraw/zinc/55/89/89/427558989.db2.gz	UIGJWGVMTRJSSZ-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C#Cc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1	ZINC000279104433	427559434	/nfs/dbraw/zinc/55/94/34/427559434.db2.gz	VQYYOOSBKOXXRN-UHFFFAOYSA-N	0	3	310.441	2.892	20	30		DFEDHN
N#Cc1nccnc1NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000263756016	427560346	/nfs/dbraw/zinc/56/03/46/427560346.db2.gz	FVAMGRCNUGVMFN-INIZCTEOSA-N	0	3	307.401	2.815	20	30		DFEDHN
C=CCSCCNCc1ccccc1N1CCO[C@@H](C)C1	ZINC000298299609	427563666	/nfs/dbraw/zinc/56/36/66/427563666.db2.gz	HNAAJKHKXDBWMN-HNNXBMFYSA-N	0	3	306.475	2.921	20	30		DFEDHN
C=CCOCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1	ZINC000338926768	427564198	/nfs/dbraw/zinc/56/41/98/427564198.db2.gz	VDGHKJLQEALZKC-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
C=CCOCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1	ZINC000338926769	427564359	/nfs/dbraw/zinc/56/43/59/427564359.db2.gz	VDGHKJLQEALZKC-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@H](O)COCc1cccs1	ZINC000298320313	427569255	/nfs/dbraw/zinc/56/92/55/427569255.db2.gz	LGWZFLBQBALXFJ-INIZCTEOSA-N	0	3	316.426	2.629	20	30		DFEDHN
C[C@@H](O)CN(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1	ZINC000263784343	427569745	/nfs/dbraw/zinc/56/97/45/427569745.db2.gz	OVLDTTWPVGWHLM-CQSZACIVSA-N	0	3	315.417	2.512	20	30		DFEDHN
CC(C)[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000185006449	427578304	/nfs/dbraw/zinc/57/83/04/427578304.db2.gz	DXOUWVGDRXZDKU-MSOLQXFVSA-N	0	3	313.445	2.741	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSCC[C@H]1C	ZINC000279169460	427583867	/nfs/dbraw/zinc/58/38/67/427583867.db2.gz	BUPPUDKACSSVCW-CYBMUJFWSA-N	0	3	306.431	2.773	20	30		DFEDHN
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000287384748	427594994	/nfs/dbraw/zinc/59/49/94/427594994.db2.gz	XYVGFKYIUBHBTA-MLGOLLRUSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000287384721	427595109	/nfs/dbraw/zinc/59/51/09/427595109.db2.gz	XYVGFKYIUBHBTA-BLLLJJGKSA-N	0	3	317.820	2.910	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1	ZINC000339011862	427625762	/nfs/dbraw/zinc/62/57/62/427625762.db2.gz	UVJMBQZYYURQMP-JFIYKMOQSA-N	0	3	311.429	2.821	20	30		DFEDHN
C[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@@H]1C	ZINC000298533892	427642242	/nfs/dbraw/zinc/64/22/42/427642242.db2.gz	VVPSIAJGESKQJL-QLFBSQMISA-N	0	3	311.429	2.925	20	30		DFEDHN
C[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1C#N	ZINC000287577939	427644306	/nfs/dbraw/zinc/64/43/06/427644306.db2.gz	CBUFQSBGKWTGJL-HZMBPMFUSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@H](NCc1ccc(Br)cc1C#N)[C@H]1CCOC1	ZINC000287613245	427653905	/nfs/dbraw/zinc/65/39/05/427653905.db2.gz	DVQQEONYHOTUAP-JQWIXIFHSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000193144858	427672300	/nfs/dbraw/zinc/67/23/00/427672300.db2.gz	CYPTUXZYNGJNQZ-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
CCc1nn(C[C@@H]2CCCCN2C(C)C)c(=O)c(C#N)c1CC	ZINC000339113819	427678811	/nfs/dbraw/zinc/67/88/11/427678811.db2.gz	IAYPLWFPKCVXGE-AWEZNQCLSA-N	0	3	316.449	2.503	20	30		DFEDHN
CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@@H]1CC[C@H](C#N)C1	ZINC000339111583	427680168	/nfs/dbraw/zinc/68/01/68/427680168.db2.gz	UOBFHCFJUNARGJ-XQLPTFJDSA-N	0	3	322.453	2.680	20	30		DFEDHN
N#CC(C(=O)c1cncn1-c1ccc(F)cc1)c1ccccn1	ZINC000193255510	427681078	/nfs/dbraw/zinc/68/10/78/427681078.db2.gz	CRQCZXNIEQMYMY-CQSZACIVSA-N	0	3	306.300	2.896	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2ccc(C#N)cc2F)CC1	ZINC000344095186	272262587	/nfs/dbraw/zinc/26/25/87/272262587.db2.gz	LPZLHRKSYQBGSV-UHFFFAOYSA-N	0	3	303.381	2.576	20	30		DFEDHN
COC1CCN(C(C)(C)CNCc2ccc(C#N)s2)CC1	ZINC000344526959	272333597	/nfs/dbraw/zinc/33/35/97/272333597.db2.gz	PEFSSYCTKHYGCH-UHFFFAOYSA-N	0	3	307.463	2.599	20	30		DFEDHN
Cc1occc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279506522	427689463	/nfs/dbraw/zinc/68/94/63/427689463.db2.gz	KOEVSQLWNOUZRC-QGZVFWFLSA-N	0	3	307.353	2.801	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1C(C)C)C(C)C	ZINC000193407879	427690113	/nfs/dbraw/zinc/69/01/13/427690113.db2.gz	LLEIAYHYYRTLLF-MRXNPFEDSA-N	0	3	318.465	2.962	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)COc1ccccc1F	ZINC000272330170	427712237	/nfs/dbraw/zinc/71/22/37/427712237.db2.gz	WEMKWELJJNABCZ-HNNXBMFYSA-N	0	3	319.376	2.889	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C2CCCC2)cc1	ZINC000298839833	427714912	/nfs/dbraw/zinc/71/49/12/427714912.db2.gz	GXMCHQIKRCVQFE-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
CN(CCCCC(C)(C)C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000336845341	427756770	/nfs/dbraw/zinc/75/67/70/427756770.db2.gz	LANSGYRMVJWQEV-GJZGRUSLSA-N	0	3	314.495	2.994	20	30		DFEDHN
CCN1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3C#N)[C@@H]2C1	ZINC000339394211	427767081	/nfs/dbraw/zinc/76/70/81/427767081.db2.gz	NSXFLVWWTMWREU-SJORKVTESA-N	0	3	319.836	2.507	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1	ZINC000299734056	427767305	/nfs/dbraw/zinc/76/73/05/427767305.db2.gz	ZGWMUGCJMHMMHE-UHFFFAOYSA-N	0	3	319.361	2.582	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2nccnc2C#N)CC1	ZINC000301204149	427781645	/nfs/dbraw/zinc/78/16/45/427781645.db2.gz	YDXFYRJBZNYYCG-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CCCCOCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280016249	427726060	/nfs/dbraw/zinc/72/60/60/427726060.db2.gz	QNADKFUOUIPUTB-QGZVFWFLSA-N	0	3	313.401	2.564	20	30		DFEDHN
CC(C)CSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279974207	427727337	/nfs/dbraw/zinc/72/73/37/427727337.db2.gz	HUHWYUVUDDSJRO-MRXNPFEDSA-N	0	3	315.442	2.746	20	30		DFEDHN
CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)[C@@H]2C1	ZINC000337030287	427790152	/nfs/dbraw/zinc/79/01/52/427790152.db2.gz	XXYFNVOFKPFSRA-GXFFZTMASA-N	0	3	310.323	2.502	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC[C@H]1CCCO1)c1ccccc1	ZINC000299079218	427749009	/nfs/dbraw/zinc/74/90/09/427749009.db2.gz	UALXQRTUCCYLBO-SJORKVTESA-N	0	3	302.418	2.579	20	30		DFEDHN
C=CCN1CC[C@@H](N(C[C@@H]2CCCO2)C2CCC(C)CC2)C1=O	ZINC000337189127	427812122	/nfs/dbraw/zinc/81/21/22/427812122.db2.gz	QWZVAMCWOQIJAG-ZGUYJTEBSA-N	0	3	320.477	2.833	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)C1=O	ZINC000337206633	427815345	/nfs/dbraw/zinc/81/53/45/427815345.db2.gz	MXTCNJAYEZKGPG-JCGIZDLHSA-N	0	3	314.429	2.865	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)NCCc2cccc(C#N)c2)c1	ZINC000337223874	427818451	/nfs/dbraw/zinc/81/84/51/427818451.db2.gz	OLJSKLHZZJARSM-UHFFFAOYSA-N	0	3	322.412	2.984	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1ccc(C#N)nn1	ZINC000301923623	427841363	/nfs/dbraw/zinc/84/13/63/427841363.db2.gz	GJVRJDWDPMEUQL-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N2CCc3ccc(C#N)cc32)c1	ZINC000339825210	427841479	/nfs/dbraw/zinc/84/14/79/427841479.db2.gz	XVFKAFDLJWXKSU-UHFFFAOYSA-N	0	3	305.381	2.823	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1	ZINC000355670791	427843046	/nfs/dbraw/zinc/84/30/46/427843046.db2.gz	GJIXUVBYMZHZGG-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1C#N	ZINC000302715282	427856349	/nfs/dbraw/zinc/85/63/49/427856349.db2.gz	MWQLVCHSYCWKQL-UHFFFAOYSA-N	0	3	306.413	2.626	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000337360336	427863593	/nfs/dbraw/zinc/86/35/93/427863593.db2.gz	GWUIBVPLRQXQRW-WDEREUQCSA-N	0	3	301.321	2.833	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@@]2(CCCOC2)C1	ZINC000355734472	427865281	/nfs/dbraw/zinc/86/52/81/427865281.db2.gz	BPJXPGUCLLJXKN-GOSISDBHSA-N	0	3	300.402	2.830	20	30		DFEDHN
CCOc1c(OC)cc(CN[C@H]2CC[C@H](C#N)C2)cc1OC	ZINC000349788006	427865312	/nfs/dbraw/zinc/86/53/12/427865312.db2.gz	KGMPSUUWQFIOES-JSGCOSHPSA-N	0	3	304.390	2.884	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CN2CC[C@@H](O)C2)c1	ZINC000349801398	427866439	/nfs/dbraw/zinc/86/64/39/427866439.db2.gz	GCQQPVRHSPALNY-GOSISDBHSA-N	0	3	308.381	2.704	20	30		DFEDHN
CC(C)[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1	ZINC000337383115	427877062	/nfs/dbraw/zinc/87/70/62/427877062.db2.gz	DVKGMBZXIDXKPV-CZUORRHYSA-N	0	3	305.397	2.873	20	30		DFEDHN
C[C@H](CC#N)N(C)C(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000339932353	427877390	/nfs/dbraw/zinc/87/73/90/427877390.db2.gz	UXHRUAUKRHPZDX-WOPDTQHZSA-N	0	3	319.371	2.656	20	30		DFEDHN
C=CCOCCCN[C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000337418913	427896163	/nfs/dbraw/zinc/89/61/63/427896163.db2.gz	AMLAFGRCVBKICE-SFHVURJKSA-N	0	3	312.413	2.772	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)N1CCCC[C@H]1C	ZINC000355794954	427896339	/nfs/dbraw/zinc/89/63/39/427896339.db2.gz	ZUBGAYMSMIWMQR-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1OC(F)F	ZINC000337430504	427901791	/nfs/dbraw/zinc/90/17/91/427901791.db2.gz	UVWGVWSIOZJTIK-BFHYXJOUSA-N	0	3	318.408	2.940	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ncc(C)o1)C(C)C	ZINC000355826382	427911405	/nfs/dbraw/zinc/91/14/05/427911405.db2.gz	JJKFXPOKRKSFOJ-CQSZACIVSA-N	0	3	306.410	2.803	20	30		DFEDHN
C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000337452373	427912911	/nfs/dbraw/zinc/91/29/11/427912911.db2.gz	GBXFECDDHBQYNB-ZDUSSCGKSA-N	0	3	303.362	2.964	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H](CCCO)c3ccccc3)n2c1	ZINC000304284733	427924893	/nfs/dbraw/zinc/92/48/93/427924893.db2.gz	KRJBOKOXXWWVIS-GOSISDBHSA-N	0	3	320.396	2.809	20	30		DFEDHN
C=CCn1c(-c2ccccc2)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000350623471	427958134	/nfs/dbraw/zinc/95/81/34/427958134.db2.gz	PLTJNFTWZPHOBX-KRWDZBQOSA-N	0	3	323.444	2.804	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413182854	427982359	/nfs/dbraw/zinc/98/23/59/427982359.db2.gz	HMWXHOAFHGEINZ-WCQYABFASA-N	0	3	300.362	2.812	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413183155	427982494	/nfs/dbraw/zinc/98/24/94/427982494.db2.gz	HMWXHOAFHGEINZ-YPMHNXCESA-N	0	3	300.362	2.812	20	30		DFEDHN
Cc1nc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)sc1C	ZINC000350037210	427927251	/nfs/dbraw/zinc/92/72/51/427927251.db2.gz	WXQNVVIPPIWFSC-OAHLLOKOSA-N	0	3	324.409	2.630	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000369639188	428022973	/nfs/dbraw/zinc/02/29/73/428022973.db2.gz	NXSOFHBEHVOJPA-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
COC[C@H](O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359854651	428046420	/nfs/dbraw/zinc/04/64/20/428046420.db2.gz	YVPSACXQBRBSBK-AUUYWEPGSA-N	0	3	310.397	2.883	20	30		DFEDHN
C[C@H](N[C@@H]1CCNC1=O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000359762305	428008049	/nfs/dbraw/zinc/00/80/49/428008049.db2.gz	GEWRGKJLJYNIEA-SCLBCKFNSA-N	0	3	305.381	2.764	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000359762049	428008610	/nfs/dbraw/zinc/00/86/10/428008610.db2.gz	GFYRSIQMSRPMMD-MRXNPFEDSA-N	0	3	308.385	2.687	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000413278345	428009911	/nfs/dbraw/zinc/00/99/11/428009911.db2.gz	FJMOPBUTDDHDDV-IRXDYDNUSA-N	0	3	313.445	2.710	20	30		DFEDHN
C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1Cl	ZINC000369614673	428015112	/nfs/dbraw/zinc/01/51/12/428015112.db2.gz	GXJSWSKXZJXVAZ-NWANDNLSSA-N	0	3	319.836	2.725	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1C	ZINC000359906146	428071103	/nfs/dbraw/zinc/07/11/03/428071103.db2.gz	FFWQEBSNGBCGFN-CYBMUJFWSA-N	0	3	310.313	2.853	20	30		DFEDHN
CN(C)CCOC1CCN(c2cc(Cl)ccc2C#N)CC1	ZINC000356216091	428073210	/nfs/dbraw/zinc/07/32/10/428073210.db2.gz	IPILCWXXHNDMRU-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000356223818	428075894	/nfs/dbraw/zinc/07/58/94/428075894.db2.gz	UFMZRTVAYPKGNF-BPQIPLTHSA-N	0	3	313.445	2.873	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)C1	ZINC000356258568	428090702	/nfs/dbraw/zinc/09/07/02/428090702.db2.gz	PPNNLLMCLKKQOJ-LJQANCHMSA-N	0	3	323.440	2.534	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360025566	428122321	/nfs/dbraw/zinc/12/23/21/428122321.db2.gz	RFNXIXZDRJCTBE-PMPSAXMXSA-N	0	3	313.445	2.898	20	30		DFEDHN
C#CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000370132096	428141147	/nfs/dbraw/zinc/14/11/47/428141147.db2.gz	VGRFTNVYEJEDDK-AEFFLSMTSA-N	0	3	313.445	2.610	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC[C@@H](c3ncc[nH]3)C2)cc1	ZINC000370167669	428150044	/nfs/dbraw/zinc/15/00/44/428150044.db2.gz	SOWHINIXFHSMLU-MRXNPFEDSA-N	0	3	310.401	2.930	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NCC1=CCN(C)CC1	ZINC000413837884	428150217	/nfs/dbraw/zinc/15/02/17/428150217.db2.gz	RSXANOMKGPGUDH-GOSISDBHSA-N	0	3	313.445	2.735	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(CC)C1	ZINC000413845435	428151669	/nfs/dbraw/zinc/15/16/69/428151669.db2.gz	RZTUGELXCTULAB-KRWDZBQOSA-N	0	3	301.434	2.521	20	30		DFEDHN
CC[C@H](C(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1)N(CC)CC	ZINC000346397377	428155778	/nfs/dbraw/zinc/15/57/78/428155778.db2.gz	YCGAMTZVOUGQQJ-RCCFBDPRSA-N	0	3	313.445	2.873	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000370433444	428208846	/nfs/dbraw/zinc/20/88/46/428208846.db2.gz	KTQXPXIFERSHIZ-GDBMZVCRSA-N	0	3	319.474	2.844	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1	ZINC000346543301	428211115	/nfs/dbraw/zinc/21/11/15/428211115.db2.gz	NUNYZLQCDRTNAA-LSDHHAIUSA-N	0	3	313.445	2.893	20	30		DFEDHN
C=CCOc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1OC	ZINC000370478353	428220878	/nfs/dbraw/zinc/22/08/78/428220878.db2.gz	UFMHPBYPUSLXKR-OAHLLOKOSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000360176293	428191629	/nfs/dbraw/zinc/19/16/29/428191629.db2.gz	UQRSBUOIJRPJDY-HNNXBMFYSA-N	0	3	311.429	2.818	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CC3=CCCOC3)CC2)c(F)c1	ZINC000377696334	428199142	/nfs/dbraw/zinc/19/91/42/428199142.db2.gz	HILIZKMBVRVHNT-UHFFFAOYSA-N	0	3	316.376	2.887	20	30		DFEDHN
Cn1cc([C@H]2[C@H](CNc3ccc(C#N)cc3)CCCN2C)cn1	ZINC000377710089	428204683	/nfs/dbraw/zinc/20/46/83/428204683.db2.gz	WMXUEBWIMFWKOZ-MAUKXSAKSA-N	0	3	309.417	2.787	20	30		DFEDHN
Cn1cc([C@@H]2[C@H](CNc3ccc(C#N)cc3)CCCN2C)cn1	ZINC000377710091	428204813	/nfs/dbraw/zinc/20/48/13/428204813.db2.gz	WMXUEBWIMFWKOZ-YJBOKZPZSA-N	0	3	309.417	2.787	20	30		DFEDHN
C[C@@H](NCc1nc(C#N)cs1)[C@@H](c1ccccc1)N(C)C	ZINC000352861378	428284301	/nfs/dbraw/zinc/28/43/01/428284301.db2.gz	HNRDWVAHFVCTPO-WBMJQRKESA-N	0	3	300.431	2.796	20	30		DFEDHN
C=CCN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000341903325	428246279	/nfs/dbraw/zinc/24/62/79/428246279.db2.gz	BGAABBZVRKGPIH-LJQANCHMSA-N	0	3	300.446	2.928	20	30		DFEDHN
CC(C)(C#N)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	ZINC000370601696	428249011	/nfs/dbraw/zinc/24/90/11/428249011.db2.gz	KQVSKVKQCJKYIG-SJORKVTESA-N	0	3	311.429	2.659	20	30		DFEDHN
CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCN(C2CC2)C1	ZINC000352956327	428326695	/nfs/dbraw/zinc/32/66/95/428326695.db2.gz	LHJZEVZFJNECSC-CYBMUJFWSA-N	0	3	303.793	2.520	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(F)c(C#N)c3)C[C@H]1CCCC2	ZINC000342178636	428338479	/nfs/dbraw/zinc/33/84/79/428338479.db2.gz	SGSOJMMBCMMWET-CRAIPNDOSA-N	0	3	316.376	2.863	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1	ZINC000371946137	428408966	/nfs/dbraw/zinc/40/89/66/428408966.db2.gz	FOHZDSKYABLCCA-JYJNAYRXSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1	ZINC000347029766	428412962	/nfs/dbraw/zinc/41/29/62/428412962.db2.gz	BJAOFALUBHCJFJ-CQSZACIVSA-N	0	3	318.380	2.860	20	30		DFEDHN
C[C@H](CCS(C)(=O)=O)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360656377	428385116	/nfs/dbraw/zinc/38/51/16/428385116.db2.gz	HVYLSIBYYJGSCQ-CXAGYDPISA-N	0	3	320.458	2.739	20	30		DFEDHN
C=CCN(Cc1csnn1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371373154	428385991	/nfs/dbraw/zinc/38/59/91/428385991.db2.gz	JWYCNBHHTRDHOE-QGZVFWFLSA-N	0	3	314.458	2.801	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000346967644	428386950	/nfs/dbraw/zinc/38/69/50/428386950.db2.gz	NQQQZVWZTCRXNC-INIZCTEOSA-N	0	3	304.434	2.777	20	30		DFEDHN
COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000342562482	428434224	/nfs/dbraw/zinc/43/42/24/428434224.db2.gz	CXYJFHUCDWKSRI-GOEBONIOSA-N	0	3	315.417	2.634	20	30		DFEDHN
N#CCc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1	ZINC000342669261	428437320	/nfs/dbraw/zinc/43/73/20/428437320.db2.gz	RLQXFRWWQVAWNL-UHFFFAOYSA-N	0	3	311.429	2.587	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000342734328	428439779	/nfs/dbraw/zinc/43/97/79/428439779.db2.gz	JSGVBEKEKFFMAO-UONOGXRCSA-N	0	3	318.417	2.531	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1	ZINC000347092542	428442210	/nfs/dbraw/zinc/44/22/10/428442210.db2.gz	ACMNMPIHTAQMAU-BBRMVZONSA-N	0	3	319.836	2.970	20	30		DFEDHN
N#CC1(c2ccccc2)CC(N[C@@H](CO)Cc2ccc(F)cc2)C1	ZINC000372460060	428449348	/nfs/dbraw/zinc/44/93/48/428449348.db2.gz	LYSWNXQFXJOOFG-XEVCZEQESA-N	0	3	324.399	2.943	20	30		DFEDHN
C=CCOCCNC[C@@H](O)COc1ccc(Cl)cc1Cl	ZINC000380241279	428453627	/nfs/dbraw/zinc/45/36/27/428453627.db2.gz	NJWZEOWWDQVRIT-GFCCVEGCSA-N	0	3	320.216	2.525	20	30		DFEDHN
COC[C@@H](Cc1ccccc1)NCc1cnc2ccc(C#N)cn12	ZINC000342780533	428454604	/nfs/dbraw/zinc/45/46/04/428454604.db2.gz	QETNIWSTDQIVGO-QGZVFWFLSA-N	0	3	320.396	2.553	20	30		DFEDHN
COCC[C@@H](Cc1ccco1)NCc1cnc2ccc(C#N)cn12	ZINC000342785844	428455214	/nfs/dbraw/zinc/45/52/14/428455214.db2.gz	WVLSZJNHUYMOJU-HNNXBMFYSA-N	0	3	324.384	2.536	20	30		DFEDHN
CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C(C)C#N)O[C@H](C)C2	ZINC000347121942	428456817	/nfs/dbraw/zinc/45/68/17/428456817.db2.gz	ZSLWSFWAAGQQIX-ZSEWYUTFSA-N	0	3	314.385	2.540	20	30		DFEDHN
CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C(C)C#N)O[C@H](C)C2	ZINC000347121941	428456871	/nfs/dbraw/zinc/45/68/71/428456871.db2.gz	ZSLWSFWAAGQQIX-WJNVRWDZSA-N	0	3	314.385	2.540	20	30		DFEDHN
C[C@@H]1[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CCCN1C	ZINC000342837071	428466369	/nfs/dbraw/zinc/46/63/69/428466369.db2.gz	VTXQIRPZTGBIKP-PWSUYJOCSA-N	0	3	303.797	2.754	20	30		DFEDHN
Cc1nc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1C#N	ZINC000389846543	428468887	/nfs/dbraw/zinc/46/88/87/428468887.db2.gz	OIWAGVCFRBPNRM-KBXCAEBGSA-N	0	3	306.413	3.194	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)s1	ZINC000342393429	428424324	/nfs/dbraw/zinc/42/43/24/428424324.db2.gz	XNXLFNYMVXUAIC-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C	ZINC000347050597	428424544	/nfs/dbraw/zinc/42/45/44/428424544.db2.gz	QXBXQRXWDOMEAS-GASCZTMLSA-N	0	3	302.418	2.740	20	30		DFEDHN
CC(C#N)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC000347058859	428429253	/nfs/dbraw/zinc/42/92/53/428429253.db2.gz	BXLZAULZGQVEBO-LLVKDONJSA-N	0	3	315.760	2.648	20	30		DFEDHN
Cc1cc(NC(=O)[C@H](C)C#N)cc(N2CCN(C(C)C)CC2)c1	ZINC000360895408	428483602	/nfs/dbraw/zinc/48/36/02/428483602.db2.gz	VWFRNEMIKVIVNL-OAHLLOKOSA-N	0	3	314.433	2.624	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CC2(C(F)(F)F)CC2)CC1	ZINC000353328171	428487678	/nfs/dbraw/zinc/48/76/78/428487678.db2.gz	OWCVWEXSBYNYJE-UHFFFAOYSA-N	0	3	304.356	2.876	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000342995680	428501514	/nfs/dbraw/zinc/50/15/14/428501514.db2.gz	CXJIBAHQWXWLKV-IFUGULHKSA-N	0	3	323.799	2.748	20	30		DFEDHN
CC(C)(C)OC(=O)NCCC(C)(C)NCc1ccc(C#N)o1	ZINC000397438513	428508277	/nfs/dbraw/zinc/50/82/77/428508277.db2.gz	DWHUYKXWGCYCDE-UHFFFAOYSA-N	0	3	307.394	2.934	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)n1	ZINC000398036927	428519130	/nfs/dbraw/zinc/51/91/30/428519130.db2.gz	QGUGCXRFYZIVKD-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
CC(C)C[C@@H](CNCc1ccc(C#N)cc1F)N1CCOCC1	ZINC000342848704	428471547	/nfs/dbraw/zinc/47/15/47/428471547.db2.gz	JNVAWSRMNKAZRV-KRWDZBQOSA-N	0	3	319.424	2.534	20	30		DFEDHN
C=CCN(C(=O)CCOCC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372602835	428474095	/nfs/dbraw/zinc/47/40/95/428474095.db2.gz	WYHOKWFLAUPLES-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000358359093	428594957	/nfs/dbraw/zinc/59/49/57/428594957.db2.gz	AAUIGTURVDFZLI-ZDUSSCGKSA-N	0	3	306.406	2.897	20	30		DFEDHN
COc1cc(CN[C@H]2CCO[C@H]2c2cccnc2)ccc1C#N	ZINC000343388502	428546383	/nfs/dbraw/zinc/54/63/83/428546383.db2.gz	AEJDVLDBBUENBD-WMZOPIPTSA-N	0	3	309.369	2.582	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@H](C)N2CCC[C@@H](C)C2)c1C#N	ZINC000343481122	428549384	/nfs/dbraw/zinc/54/93/84/428549384.db2.gz	SVRIXKPTCLCWJJ-NEPJUHHUSA-N	0	3	306.841	3.447	20	30		DFEDHN
Cc1ccnc(NCCCN2CCc3ccccc3C2)c1C#N	ZINC000343516422	428552292	/nfs/dbraw/zinc/55/22/92/428552292.db2.gz	WFMXGLATMLEWFJ-UHFFFAOYSA-N	0	3	306.413	3.122	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(N2CCN(CCC)CC2)CC1	ZINC000373346042	428554565	/nfs/dbraw/zinc/55/45/65/428554565.db2.gz	PGKSJYQIVWPRNH-KRWDZBQOSA-N	0	3	321.509	2.607	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1	ZINC000373375749	428560947	/nfs/dbraw/zinc/56/09/47/428560947.db2.gz	FVFTYDODTXSAAE-WFASDCNBSA-N	0	3	305.447	2.797	20	30		DFEDHN
CCN(CCc1ccccc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000343585659	428564039	/nfs/dbraw/zinc/56/40/39/428564039.db2.gz	COYBPRTYDIMUAS-QFBILLFUSA-N	0	3	315.461	2.994	20	30		DFEDHN
CN(Cc1ccc(CC#N)cc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000361472531	428571183	/nfs/dbraw/zinc/57/11/83/428571183.db2.gz	YMUFVHFOZRUOFX-SFHVURJKSA-N	0	3	307.397	2.801	20	30		DFEDHN
COc1cc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)ccn1	ZINC000347546504	428601015	/nfs/dbraw/zinc/60/10/15/428601015.db2.gz	XDTGTCKZHMVGKC-ZDUSSCGKSA-N	0	3	324.384	2.641	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)Cc1ccc(Br)c(F)c1	ZINC000353580868	428604364	/nfs/dbraw/zinc/60/43/64/428604364.db2.gz	YGCUIXYWCRONGZ-ONGXEEELSA-N	0	3	302.187	2.656	20	30		DFEDHN
C[C@@H]1C[C@H](C(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000347587079	428614608	/nfs/dbraw/zinc/61/46/08/428614608.db2.gz	VVCZPDSOENXJMB-HZPDHXFCSA-N	0	3	318.465	2.789	20	30		DFEDHN
COc1cc(CN[C@H](C)CC(=O)OC(C)(C)C)ccc1C#N	ZINC000353609255	428619349	/nfs/dbraw/zinc/61/93/49/428619349.db2.gz	JXBFLANZVFYBMY-GFCCVEGCSA-N	0	3	304.390	2.777	20	30		DFEDHN
C=CCOCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1	ZINC000348040526	428634683	/nfs/dbraw/zinc/63/46/83/428634683.db2.gz	VUZGYUOLVJVAGR-QGZVFWFLSA-N	0	3	318.461	2.967	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@H](O)C1CCCCC1	ZINC000344111257	428623700	/nfs/dbraw/zinc/62/37/00/428623700.db2.gz	KMJDHRDZLUTHLY-IBGZPJMESA-N	0	3	316.445	2.948	20	30		DFEDHN
C=CCC[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccco1	ZINC000353621010	428625151	/nfs/dbraw/zinc/62/51/51/428625151.db2.gz	KYWQCKRSOBOSJI-IJEWVQPXSA-N	0	3	306.406	2.512	20	30		DFEDHN
CO[C@H]1C[C@@H](CN2CCCC2)N(c2c(F)cc(C#N)cc2F)C1	ZINC000347872448	428627891	/nfs/dbraw/zinc/62/78/91/428627891.db2.gz	XDVGGIUZWMDWSN-KBPBESRZSA-N	0	3	321.371	2.526	20	30		DFEDHN
CO[C@@H]1C[C@H](CN2CCCC2)N(c2c(F)cc(C#N)cc2F)C1	ZINC000347872456	428628312	/nfs/dbraw/zinc/62/83/12/428628312.db2.gz	XDVGGIUZWMDWSN-ZIAGYGMSSA-N	0	3	321.371	2.526	20	30		DFEDHN
N#Cc1csc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c1	ZINC000344338665	428629971	/nfs/dbraw/zinc/62/99/71/428629971.db2.gz	GEOKZDAUWVPQPB-HUUCEWRRSA-N	0	3	322.380	2.947	20	30		DFEDHN
CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1	ZINC000344392455	428633328	/nfs/dbraw/zinc/63/33/28/428633328.db2.gz	QUFQLYBEHRZXPT-ZBFHGGJFSA-N	0	3	317.408	2.870	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000348149643	428640372	/nfs/dbraw/zinc/64/03/72/428640372.db2.gz	XAPLNDQOMWCIOH-OAHLLOKOSA-N	0	3	309.394	2.927	20	30		DFEDHN
Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000348067081	428635028	/nfs/dbraw/zinc/63/50/28/428635028.db2.gz	IHSOJOOBSXXKGI-SFHVURJKSA-N	0	3	303.365	2.865	20	30		DFEDHN
C=CCOCCCN1CCC(NC(=O)C2CCCCC2)CC1	ZINC000348046986	428636364	/nfs/dbraw/zinc/63/63/64/428636364.db2.gz	KJNXZUULCQEQQW-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
CS[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1N1CCCC1	ZINC000275903388	274186836	/nfs/dbraw/zinc/18/68/36/274186836.db2.gz	ZYRMPJQOMODRKQ-KBPBESRZSA-N	0	3	322.865	2.623	20	30		DFEDHN
C[C@@H](NC(=O)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C	ZINC000187174408	274241576	/nfs/dbraw/zinc/24/15/76/274241576.db2.gz	CMOSHBXYHUSCKV-FOIQADDNSA-N	0	3	321.424	2.908	20	30		DFEDHN
CN(C)[C@@H](CC(=O)N1CCC(F)(C#N)CC1)c1ccccc1	ZINC000416240735	428697203	/nfs/dbraw/zinc/69/72/03/428697203.db2.gz	KDVKOUYAXPLUOX-HNNXBMFYSA-N	0	3	303.381	2.534	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCC#Cc1cccc(F)c1)c1ccccc1	ZINC000416243614	428698297	/nfs/dbraw/zinc/69/82/97/428698297.db2.gz	PDBRJZYCHSDYFM-IBGZPJMESA-N	0	3	324.399	2.986	20	30		DFEDHN
C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CCC1	ZINC000358842195	428702446	/nfs/dbraw/zinc/70/24/46/428702446.db2.gz	QKPVNWUVOJNUHE-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
Cc1ccc(N2CCN(Cc3ccccc3)C[C@@H]2C)nc1C#N	ZINC000344964682	428730626	/nfs/dbraw/zinc/73/06/26/428730626.db2.gz	IUDWXYJCEJDUQJ-INIZCTEOSA-N	0	3	306.413	2.972	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000348291004	428695838	/nfs/dbraw/zinc/69/58/38/428695838.db2.gz	QMMIRUMCVSEALS-OAHLLOKOSA-N	0	3	324.428	3.003	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](OC)C2)cc1OCCCC#N	ZINC000353865168	428754715	/nfs/dbraw/zinc/75/47/15/428754715.db2.gz	KDTIJCOXKFCXKW-OAHLLOKOSA-N	0	3	304.390	2.598	20	30		DFEDHN
COc1cc(CNC(=O)c2cccc(CN(C)C)c2)ccc1C#N	ZINC000358995882	428765416	/nfs/dbraw/zinc/76/54/16/428765416.db2.gz	UTEZXCXFJJDZOW-UHFFFAOYSA-N	0	3	323.396	2.558	20	30		DFEDHN
CC(=O)N1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000359015358	428772928	/nfs/dbraw/zinc/77/29/28/428772928.db2.gz	MYKYFDADOBSMQF-IUODEOHRSA-N	0	3	303.381	2.606	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)CCC#N)C1	ZINC000411302823	428775435	/nfs/dbraw/zinc/77/54/35/428775435.db2.gz	ZXFOSOKKHFACKM-QWHCGFSZSA-N	0	3	319.371	2.801	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc2ncsc2c1)C(=O)N(C)CCC#N	ZINC000362560140	428790454	/nfs/dbraw/zinc/79/04/54/428790454.db2.gz	MPEPECZVHIEDHC-NWDGAFQWSA-N	0	3	316.430	2.707	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H]1c1ccc(C)cc1	ZINC000374712565	428736044	/nfs/dbraw/zinc/73/60/44/428736044.db2.gz	IWTAPIVQCREFNV-IAGOWNOFSA-N	0	3	307.459	2.822	20	30		DFEDHN
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1C[C@H](C)[C@H](C)C1	ZINC000362429097	428737851	/nfs/dbraw/zinc/73/78/51/428737851.db2.gz	FZCJKSLHXQQUHV-SYGRHNPNSA-N	0	3	305.466	2.894	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1ccccc1C#N	ZINC000348462135	428751968	/nfs/dbraw/zinc/75/19/68/428751968.db2.gz	VZEJOHGSGWBMGE-GDLCADMTSA-N	0	3	323.343	2.635	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000363047425	428848792	/nfs/dbraw/zinc/84/87/92/428848792.db2.gz	SQDQVZFMSIVWEY-CABCVRRESA-N	0	3	319.474	2.671	20	30		DFEDHN
COc1ccc(CN(C)C2CC(OC)C2)cc1OCCCC#N	ZINC000348712149	428817775	/nfs/dbraw/zinc/81/77/75/428817775.db2.gz	TWEZWZDXSSWPST-UHFFFAOYSA-N	0	3	318.417	2.987	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCCC[C@H]1CC	ZINC000411642898	428830472	/nfs/dbraw/zinc/83/04/72/428830472.db2.gz	NVVUYHJFJQDUFD-DLBZAZTESA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)c1nnnn1C1CCCCC1	ZINC000411643501	428830855	/nfs/dbraw/zinc/83/08/55/428830855.db2.gz	IEIIIWYWFYRPPM-OAHLLOKOSA-N	0	3	320.485	2.679	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cnc2c(cnn2C(C)C)c1	ZINC000411643679	428832377	/nfs/dbraw/zinc/83/23/77/428832377.db2.gz	PQDDDALRROLATE-UHFFFAOYSA-N	0	3	315.465	2.952	20	30		DFEDHN
CCCN(CCCC1(C#N)CCOCC1)[C@H](C)C(=O)OCC	ZINC000411653469	428834200	/nfs/dbraw/zinc/83/42/00/428834200.db2.gz	WKPZVWIUABMEEV-OAHLLOKOSA-N	0	3	310.438	2.751	20	30		DFEDHN
CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1	ZINC000363141748	428866497	/nfs/dbraw/zinc/86/64/97/428866497.db2.gz	ATZLKHAZDNTXSP-ROUUACIJSA-N	0	3	311.429	2.924	20	30		DFEDHN
CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1	ZINC000363141749	428866657	/nfs/dbraw/zinc/86/66/57/428866657.db2.gz	ATZLKHAZDNTXSP-ZWKOTPCHSA-N	0	3	311.429	2.924	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000359215509	428870380	/nfs/dbraw/zinc/87/03/80/428870380.db2.gz	BKFNRJUWCZQKIK-CYBMUJFWSA-N	0	3	305.447	2.682	20	30		DFEDHN
C=CCC[C@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1	ZINC000417907180	428872840	/nfs/dbraw/zinc/87/28/40/428872840.db2.gz	DOQIWAQUKVVLNM-GJZGRUSLSA-N	0	3	323.387	2.990	20	30		DFEDHN
C=CCOc1ccccc1CN1CCO[C@@H]2CCN(CC)C[C@H]21	ZINC000354132566	428877377	/nfs/dbraw/zinc/87/73/77/428877377.db2.gz	XXYCJCUUSPHCHS-IEBWSBKVSA-N	0	3	316.445	2.546	20	30		DFEDHN
COC(=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)[nH]1	ZINC000418144210	428887859	/nfs/dbraw/zinc/88/78/59/428887859.db2.gz	KAZKXDDSJIPRIJ-MRXNPFEDSA-N	0	3	309.369	2.840	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@H](c3nc(C4CC4)no3)C2)c1	ZINC000375472372	428894369	/nfs/dbraw/zinc/89/43/69/428894369.db2.gz	SXUWDVNESPDHEK-HNNXBMFYSA-N	0	3	324.384	2.687	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(-c3nc(C)no3)cn2)CC1	ZINC000363262675	428895983	/nfs/dbraw/zinc/89/59/83/428895983.db2.gz	HOKNJZZDKWLJQL-UHFFFAOYSA-N	0	3	313.405	2.892	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1c(C#N)cccc1C#N	ZINC000375518968	428905308	/nfs/dbraw/zinc/90/53/08/428905308.db2.gz	GZEAURJVGVGKHO-JLSDUUJJSA-N	0	3	324.428	2.731	20	30		DFEDHN
COCCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1	ZINC000419379600	428930470	/nfs/dbraw/zinc/93/04/70/428930470.db2.gz	FMUJEUKOSRKHOR-MRXNPFEDSA-N	0	3	317.433	2.680	20	30		DFEDHN
C[C@@H](NC(=O)NCC1(C#N)CCC1)[C@@H](c1ccccc1)N(C)C	ZINC000419511843	428936453	/nfs/dbraw/zinc/93/64/53/428936453.db2.gz	WHMDJXKIWUEEIB-ZBFHGGJFSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@H](CO)N(C)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000349295870	428956619	/nfs/dbraw/zinc/95/66/19/428956619.db2.gz	KPWNCPLZNQFCKC-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C	ZINC000412120619	428960615	/nfs/dbraw/zinc/96/06/15/428960615.db2.gz	DRDPJYDJEUKACO-XFKAJCMBSA-N	0	3	311.429	2.603	20	30		DFEDHN
Cn1nccc1[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000375771630	428968066	/nfs/dbraw/zinc/96/80/66/428968066.db2.gz	IJSWOJTWHUQYLD-KRWDZBQOSA-N	0	3	324.428	2.940	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412168263	428970700	/nfs/dbraw/zinc/97/07/00/428970700.db2.gz	BOGHYNNOUKDHBD-YDZRNGNQSA-N	0	3	323.440	2.747	20	30		DFEDHN
CCc1noc(C)c1CNC(=O)C(C#N)CCc1ccccc1	ZINC000354905895	429019148	/nfs/dbraw/zinc/01/91/48/429019148.db2.gz	ZXEFMNMPEGYUHL-HNNXBMFYSA-N	0	3	311.385	2.934	20	30		DFEDHN
CN(CC#Cc1ccc(Cl)cc1)C1(CCO)CCOCC1	ZINC000355009292	429024993	/nfs/dbraw/zinc/02/49/93/429024993.db2.gz	XFUOXYNZEKINBK-UHFFFAOYSA-N	0	3	307.821	2.555	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000355167161	429032720	/nfs/dbraw/zinc/03/27/20/429032720.db2.gz	RIOFBBGLLURMRF-RDJZCZTQSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=CCC[C@H](O)CN1Cc2ccc(OC)cc2OC(C)(C)C1	ZINC000421044263	428978165	/nfs/dbraw/zinc/97/81/65/428978165.db2.gz	SHSZDNCFKJERLA-HNNXBMFYSA-N	0	3	305.418	2.995	20	30		DFEDHN
COC1([C@@H](C)NCC#Cc2ccc(Cl)cc2)CCOCC1	ZINC000421023128	428978315	/nfs/dbraw/zinc/97/83/15/428978315.db2.gz	AVSXWGYGOVYTMY-CQSZACIVSA-N	0	3	307.821	2.865	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc1OC	ZINC000354436938	428984269	/nfs/dbraw/zinc/98/42/69/428984269.db2.gz	DJMXXDNYZYYTNB-HUUCEWRRSA-N	0	3	304.434	2.784	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccncn1	ZINC000354469555	428988477	/nfs/dbraw/zinc/98/84/77/428988477.db2.gz	RDDFJGWUUBFMEK-JKSUJKDBSA-N	0	3	323.352	2.524	20	30		DFEDHN
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354471802	428990092	/nfs/dbraw/zinc/99/00/92/428990092.db2.gz	UFPMMALJJWLKQH-KCPJHIHWSA-N	0	3	320.352	2.561	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)C[C@H](CO)C2)cc(OC)c1O	ZINC000421363351	428990364	/nfs/dbraw/zinc/99/03/64/428990364.db2.gz	PNJDPBNSSFWVKS-ZFWWWQNUSA-N	0	3	305.418	2.580	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@H]1C[C@@H](OC)C12CCC2	ZINC000451850328	428995938	/nfs/dbraw/zinc/99/59/38/428995938.db2.gz	LNJJCQGICFZYPX-DLBZAZTESA-N	0	3	300.402	2.956	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@]12C[C@H]1CCC2	ZINC000421430842	428997658	/nfs/dbraw/zinc/99/76/58/428997658.db2.gz	JLOXELWDWXNKDT-IEBWSBKVSA-N	0	3	311.429	2.639	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCC#Cc1ccccc1	ZINC000354782427	429008058	/nfs/dbraw/zinc/00/80/58/429008058.db2.gz	AGNGWAACPRPJJZ-GOSISDBHSA-N	0	3	313.445	2.602	20	30		DFEDHN
CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCc2ccccc2C1	ZINC000424106374	429090888	/nfs/dbraw/zinc/09/08/88/429090888.db2.gz	SIATVVDIAYJWDW-MSOLQXFVSA-N	0	3	313.445	2.804	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000424103700	429090929	/nfs/dbraw/zinc/09/09/29/429090929.db2.gz	STZBGWNEOLABIV-INIZCTEOSA-N	0	3	301.390	2.968	20	30		DFEDHN
CCCOc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424097944	429091244	/nfs/dbraw/zinc/09/12/44/429091244.db2.gz	KGALFDWKJSNOOE-CZUORRHYSA-N	0	3	303.406	2.674	20	30		DFEDHN
COc1ccc(N(C(=O)[C@H](N)CCCC#N)[C@H](C)C2CC2)cc1	ZINC000424115150	429093155	/nfs/dbraw/zinc/09/31/55/429093155.db2.gz	UIAABBDPDDRLOD-CXAGYDPISA-N	0	3	315.417	2.848	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCCC1	ZINC000424110829	429093381	/nfs/dbraw/zinc/09/33/81/429093381.db2.gz	ZYMIRKHYAODSFI-HNNXBMFYSA-N	0	3	303.381	2.732	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@@H](C(=O)N(CC)CC)c1ccccc1	ZINC000424119000	429093868	/nfs/dbraw/zinc/09/38/68/429093868.db2.gz	CKUYLNPTFSQEGK-OKZBNKHCSA-N	0	3	316.445	2.777	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCC#N)Oc1ccccc1Cl	ZINC000424119794	429093913	/nfs/dbraw/zinc/09/39/13/429093913.db2.gz	GFOMBPNOMAQOLX-OCCSQVGLSA-N	0	3	323.824	2.635	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H](N)CCCC#N	ZINC000424125994	429095281	/nfs/dbraw/zinc/09/52/81/429095281.db2.gz	OKASZPHUSXUOIB-RLCCDNCMSA-N	0	3	303.381	2.586	20	30		DFEDHN
COC(=O)[C@@H]1CN(CCC(C)(C)C#N)C[C@H]1c1ccccc1	ZINC000451998811	429035298	/nfs/dbraw/zinc/03/52/98/429035298.db2.gz	BWACITUHPGPIKT-JKSUJKDBSA-N	0	3	300.402	2.815	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3nccnc3c2)nc(C)n1	ZINC000355300224	429038524	/nfs/dbraw/zinc/03/85/24/429038524.db2.gz	RXBQSDYVPPPJOX-CYBMUJFWSA-N	0	3	303.325	2.527	20	30		DFEDHN
CC(=O)CN(CC(C)C)C(=O)C(C#N)CCc1ccccc1	ZINC000421915756	429045419	/nfs/dbraw/zinc/04/54/19/429045419.db2.gz	IDTMIRNYNHAWGK-QGZVFWFLSA-N	0	3	300.402	2.833	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OC(F)F)c1	ZINC000355550827	429052175	/nfs/dbraw/zinc/05/21/75/429052175.db2.gz	RMJLGZCEIPYMDY-NSHDSACASA-N	0	3	319.267	2.577	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN[C@H](C)c1cnccc1N)C(C)C	ZINC000422826235	429052663	/nfs/dbraw/zinc/05/26/63/429052663.db2.gz	BYLPNTJWPTYZGJ-QAPCUYQASA-N	0	3	302.466	2.843	20	30		DFEDHN
CC(C)(C)C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000452086035	429054274	/nfs/dbraw/zinc/05/42/74/429054274.db2.gz	WVYDJYHEAWWHDN-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H](C)C1	ZINC000452127536	429065931	/nfs/dbraw/zinc/06/59/31/429065931.db2.gz	SPWCRNPUDDLRMM-WFXMFSGNSA-N	0	3	315.461	2.649	20	30		DFEDHN
Cc1nsc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1C#N	ZINC000376172758	429069640	/nfs/dbraw/zinc/06/96/40/429069640.db2.gz	NOOBJLGNCUYWAX-NJZAAPMLSA-N	0	3	320.462	2.625	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000424065920	429085782	/nfs/dbraw/zinc/08/57/82/429085782.db2.gz	MHAAQLUXOLMVFT-GWCFXTLKSA-N	0	3	313.323	2.904	20	30		DFEDHN
Cc1cc(Br)ccc1NC(=O)[C@H](N)CCCC#N	ZINC000424080933	429088979	/nfs/dbraw/zinc/08/89/79/429088979.db2.gz	UKXYEAIBDPAJSS-LLVKDONJSA-N	0	3	310.195	2.717	20	30		DFEDHN
N#Cc1cc2c(nc1N1CCN(C3CCCC3)CC1)CCCC2	ZINC000301122365	274921438	/nfs/dbraw/zinc/92/14/38/274921438.db2.gz	MTHQYHGNUODOHP-UHFFFAOYSA-N	0	3	310.445	2.897	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)c(F)c1)C2	ZINC000453363803	429148101	/nfs/dbraw/zinc/14/81/01/429148101.db2.gz	BZXWBAPBGWGPAV-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000424510896	429149007	/nfs/dbraw/zinc/14/90/07/429149007.db2.gz	UPLUITKDUUQHIQ-ZJPYXAASSA-N	0	3	314.429	2.529	20	30		DFEDHN
C=CCOc1ccc(CNCCc2cnc(C)cn2)cc1OC	ZINC000453600174	429153315	/nfs/dbraw/zinc/15/33/15/429153315.db2.gz	RRBPCELZYUVRSE-UHFFFAOYSA-N	0	3	313.401	2.691	20	30		DFEDHN
C[C@H]1CC[C@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)O1	ZINC000453638126	429155821	/nfs/dbraw/zinc/15/58/21/429155821.db2.gz	ZFAHDQCHENXGCE-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc2cccc(F)c2o1	ZINC000424168229	429103873	/nfs/dbraw/zinc/10/38/73/429103873.db2.gz	IBODOCVENPEBQO-MFKMUULPSA-N	0	3	303.337	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	ZINC000424167399	429104810	/nfs/dbraw/zinc/10/48/10/429104810.db2.gz	DUPXCYRMMWTKIX-BMFZPTHFSA-N	0	3	303.381	2.599	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc(Cc2ccccc2)cs1	ZINC000424193704	429108486	/nfs/dbraw/zinc/10/84/86/429108486.db2.gz	RCOIMMTXMYRIDA-AWEZNQCLSA-N	0	3	314.414	2.694	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccccc1	ZINC000424194377	429108887	/nfs/dbraw/zinc/10/88/87/429108887.db2.gz	XFVKMYMOVCACQS-IAGOWNOFSA-N	0	3	301.434	2.639	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434843884	429113779	/nfs/dbraw/zinc/11/37/79/429113779.db2.gz	RIIARTPKRMDQRN-KRWDZBQOSA-N	0	3	311.429	2.533	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376455429	429116144	/nfs/dbraw/zinc/11/61/44/429116144.db2.gz	QGYRJIRJQJMTDL-CRAIPNDOSA-N	0	3	323.440	2.675	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376455431	429116276	/nfs/dbraw/zinc/11/62/76/429116276.db2.gz	QGYRJIRJQJMTDL-QAPCUYQASA-N	0	3	323.440	2.675	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)c1	ZINC000435012003	429118687	/nfs/dbraw/zinc/11/86/87/429118687.db2.gz	NIDCUPNVJHFGHN-GOSISDBHSA-N	0	3	323.440	2.677	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000435053231	429120801	/nfs/dbraw/zinc/12/08/01/429120801.db2.gz	OCDYOGYMJMXMAT-HNNXBMFYSA-N	0	3	311.429	2.580	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000435048891	429121134	/nfs/dbraw/zinc/12/11/34/429121134.db2.gz	KQPRPJNOCNCPPE-OAHLLOKOSA-N	0	3	311.429	2.580	20	30		DFEDHN
C=CCn1cc(CN[C@@H](Cc2ccccc2OC)C(C)C)nn1	ZINC000424297693	429121154	/nfs/dbraw/zinc/12/11/54/429121154.db2.gz	RCWWZBOUBLASFL-KRWDZBQOSA-N	0	3	314.433	2.830	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)CCc2ccc(F)cc2F)nn1	ZINC000424300997	429122232	/nfs/dbraw/zinc/12/22/32/429122232.db2.gz	YYXUUDZHPYOJNZ-GFCCVEGCSA-N	0	3	306.360	2.853	20	30		DFEDHN
COC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1	ZINC000452569117	429128635	/nfs/dbraw/zinc/12/86/35/429128635.db2.gz	DMFFWGNUBFCKJE-MRXNPFEDSA-N	0	3	300.402	2.834	20	30		DFEDHN
Cc1cc(NCCN2CCC(C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413054841	429130027	/nfs/dbraw/zinc/13/00/27/429130027.db2.gz	OXVNUKFVPZEULV-UHFFFAOYSA-N	0	3	302.378	2.919	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C	ZINC000413094989	429135035	/nfs/dbraw/zinc/13/50/35/429135035.db2.gz	LYKMSRDPSMVZHU-ZWUHOBOKSA-N	0	3	303.381	2.768	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCc2cc(Br)cc(C)c21	ZINC000494644017	429136799	/nfs/dbraw/zinc/13/67/99/429136799.db2.gz	XIKLFEIHLBAREJ-CYBMUJFWSA-N	0	3	323.234	2.637	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCc1ccccc1OCCN(C)C	ZINC000454412154	429165593	/nfs/dbraw/zinc/16/55/93/429165593.db2.gz	UTSSRUJSMPXTFX-UHFFFAOYSA-N	0	3	319.449	2.638	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)NC(C)(C)CN(C)C	ZINC000454604048	429168058	/nfs/dbraw/zinc/16/80/58/429168058.db2.gz	XPXLYFRMAWKSJI-UHFFFAOYSA-N	0	3	318.421	2.807	20	30		DFEDHN
C=CCC1(C(=O)NCCN2CCCC[C@H]2CC)CCOCC1	ZINC000424673314	429172755	/nfs/dbraw/zinc/17/27/55/429172755.db2.gz	YPBRTWPYLYWOKA-MRXNPFEDSA-N	0	3	308.466	2.740	20	30		DFEDHN
COCCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@H]1C	ZINC000487982239	429174259	/nfs/dbraw/zinc/17/42/59/429174259.db2.gz	QOWWEFCLRYQDIV-PBHICJAKSA-N	0	3	315.417	2.634	20	30		DFEDHN
Cc1nc(NC[C@H](c2ccco2)N2CCCCC2)ccc1C#N	ZINC000487935693	429174785	/nfs/dbraw/zinc/17/47/85/429174785.db2.gz	RWWNGBMVXMDGAP-MRXNPFEDSA-N	0	3	310.401	3.494	20	30		DFEDHN
Cc1nc(N[C@@H](CN2CCCC2)c2ccccc2)ccc1C#N	ZINC000487927532	429175432	/nfs/dbraw/zinc/17/54/32/429175432.db2.gz	SZODZJIHRUWELN-SFHVURJKSA-N	0	3	306.413	3.511	20	30		DFEDHN
Cc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)N2CCCC2)o1	ZINC000488066960	429177279	/nfs/dbraw/zinc/17/72/79/429177279.db2.gz	IEHSTONFSGSZAX-MRXNPFEDSA-N	0	3	310.401	3.412	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000424707623	429178982	/nfs/dbraw/zinc/17/89/82/429178982.db2.gz	CQKOMBURHXYHKB-HNNXBMFYSA-N	0	3	320.433	2.529	20	30		DFEDHN
C=CCC1(C(=O)N2CCN(C3CCCCC3)CC2)CCOCC1	ZINC000424742750	429183684	/nfs/dbraw/zinc/18/36/84/429183684.db2.gz	UYNQWQGRCJYJRB-UHFFFAOYSA-N	0	3	320.477	2.836	20	30		DFEDHN
C=C(C)CNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000488590358	429185596	/nfs/dbraw/zinc/18/55/96/429185596.db2.gz	DRUNTLABHJPSMI-UHFFFAOYSA-N	0	3	317.433	2.537	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000455371902	429185792	/nfs/dbraw/zinc/18/57/92/429185792.db2.gz	UAFLYESDQMTYCF-MRXNPFEDSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000488579905	429185898	/nfs/dbraw/zinc/18/58/98/429185898.db2.gz	JFMLICMOAJBRKS-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000455376244	429186248	/nfs/dbraw/zinc/18/62/48/429186248.db2.gz	AWTYOHAMQMOEDS-UHFFFAOYSA-N	0	3	316.449	2.809	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCCC[C@@H]1C	ZINC000488627305	429187881	/nfs/dbraw/zinc/18/78/81/429187881.db2.gz	QXWLNTTWLSMSMW-QWHCGFSZSA-N	0	3	303.381	2.690	20	30		DFEDHN
C=C(CC)CNC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000455523180	429190130	/nfs/dbraw/zinc/19/01/30/429190130.db2.gz	NSUHWTPPVRFLCV-UHFFFAOYSA-N	0	3	301.434	2.870	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccccc2C#N)C1	ZINC000495555691	429222310	/nfs/dbraw/zinc/22/23/10/429222310.db2.gz	GPANVKQMQNAAJA-BBRMVZONSA-N	0	3	301.390	2.515	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2cccc(CC#N)c2)C1	ZINC000455906915	429223688	/nfs/dbraw/zinc/22/36/88/429223688.db2.gz	ONBOIGMCARPSMT-UHFFFAOYSA-N	0	3	314.433	2.996	20	30		DFEDHN
CN1C[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@@H]2C1	ZINC000425065312	429229630	/nfs/dbraw/zinc/22/96/30/429229630.db2.gz	KTURMLXQUXOXHM-DOTOQJQBSA-N	0	3	311.429	2.654	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000456012576	429231885	/nfs/dbraw/zinc/23/18/85/429231885.db2.gz	VTPPGHSAGNMAIR-INIZCTEOSA-N	0	3	300.406	2.815	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCOCC1	ZINC000424863055	429200421	/nfs/dbraw/zinc/20/04/21/429200421.db2.gz	ZUSIEDCGHAGEBP-HNNXBMFYSA-N	0	3	308.466	2.596	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@]2(CCCOC2)C1	ZINC000437567475	429204915	/nfs/dbraw/zinc/20/49/15/429204915.db2.gz	IUHPVSVHFCCVFN-SFHVURJKSA-N	0	3	300.402	2.959	20	30		DFEDHN
COCc1nc(CNC(=O)C(C)C#N)c(-c2ccccc2)s1	ZINC000442842589	429238085	/nfs/dbraw/zinc/23/80/85/429238085.db2.gz	QJKMQTBFWDRNQP-NSHDSACASA-N	0	3	315.398	2.732	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(OCC)cc1	ZINC000489431149	429239556	/nfs/dbraw/zinc/23/95/56/429239556.db2.gz	PRFDCOLGJCGLQF-HZPDHXFCSA-N	0	3	305.418	2.866	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H](CNC[C@H](C#N)CCC#N)C1	ZINC000495709897	429250363	/nfs/dbraw/zinc/25/03/63/429250363.db2.gz	CODBDYQUWXRZOB-LSDHHAIUSA-N	0	3	320.437	2.667	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H](CNC[C@@H](C#N)CCC#N)C1	ZINC000495709896	429251316	/nfs/dbraw/zinc/25/13/16/429251316.db2.gz	CODBDYQUWXRZOB-HUUCEWRRSA-N	0	3	320.437	2.667	20	30		DFEDHN
CN(C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1)C(=O)OC(C)(C)C	ZINC000495728269	429254123	/nfs/dbraw/zinc/25/41/23/429254123.db2.gz	KVXJGRNQXSVYCA-QLFBSQMISA-N	0	3	307.438	2.867	20	30		DFEDHN
C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CCN(C2CCC2)C1	ZINC000425271640	429255936	/nfs/dbraw/zinc/25/59/36/429255936.db2.gz	VRLCIGUTEHJGJY-AWEZNQCLSA-N	0	3	310.445	2.753	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CNCc2ccc(C#N)c(C)c2)c1	ZINC000443978735	429259337	/nfs/dbraw/zinc/25/93/37/429259337.db2.gz	LMECONPRGPPKPS-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
Cc1ccc(NC2CCN(Cc3ccsc3)CC2)nc1C#N	ZINC000365045707	429272890	/nfs/dbraw/zinc/27/28/90/429272890.db2.gz	PIGSIKYVIOMDEC-UHFFFAOYSA-N	0	3	312.442	3.400	20	30		DFEDHN
COCCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC1	ZINC000490027627	429274817	/nfs/dbraw/zinc/27/48/17/429274817.db2.gz	BDRFSFULIFZOMA-INIZCTEOSA-N	0	3	302.418	2.725	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@H]2CCN(C3CC3)C2)CCCC1(C)C	ZINC000444964020	429278551	/nfs/dbraw/zinc/27/85/51/429278551.db2.gz	HMXJAEIXHQXBNV-GOEBONIOSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000448875023	429319988	/nfs/dbraw/zinc/31/99/88/429319988.db2.gz	QAEMALOBEGCGMG-GJZGRUSLSA-N	0	3	308.466	2.546	20	30		DFEDHN
CO[C@@H]([C@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000456560330	429324469	/nfs/dbraw/zinc/32/44/69/429324469.db2.gz	LGJBSJYSJRKKAA-JQFCIGGWSA-N	0	3	300.402	2.689	20	30		DFEDHN
C#CCNC(=O)CCN1CC=C(c2ccc(Cl)cc2)CC1	ZINC000491120820	429326098	/nfs/dbraw/zinc/32/60/98/429326098.db2.gz	NXWNCJFOYNGGLU-UHFFFAOYSA-N	0	3	302.805	2.569	20	30		DFEDHN
C#C[C@H](NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F)C(C)C	ZINC000491127964	429327597	/nfs/dbraw/zinc/32/75/97/429327597.db2.gz	YJRVZYAAOBIRNM-UPJWGTAASA-N	0	3	318.383	2.669	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl	ZINC000491265936	429341302	/nfs/dbraw/zinc/34/13/02/429341302.db2.gz	NGBVXZNMOVHYGA-HUUCEWRRSA-N	0	3	304.821	2.515	20	30		DFEDHN
C#C[C@H](C)N(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000491286925	429344264	/nfs/dbraw/zinc/34/42/64/429344264.db2.gz	JZRLIGSBQRGVGY-AWEZNQCLSA-N	0	3	324.428	2.771	20	30		DFEDHN
C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@@H]1C	ZINC000445822321	429290438	/nfs/dbraw/zinc/29/04/38/429290438.db2.gz	QQWOHXGJJZNWON-RYUDHWBXSA-N	0	3	321.371	2.829	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000425471048	429303093	/nfs/dbraw/zinc/30/30/93/429303093.db2.gz	VBZKFWVFIHRAEA-JKIFEVAISA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000425471046	429303339	/nfs/dbraw/zinc/30/33/39/429303339.db2.gz	VBZKFWVFIHRAEA-CKEIUWERSA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@H]1C[C@H](CNCC2(C#N)CC2)CCN1C(=O)OC(C)(C)C	ZINC000496133361	429309401	/nfs/dbraw/zinc/30/94/01/429309401.db2.gz	LSARZPQQRUMRGJ-UONOGXRCSA-N	0	3	307.438	2.915	20	30		DFEDHN
CCOC(=O)N[C@H](CNCc1ccc(C#N)c(F)c1)CC(C)C	ZINC000496573924	429314479	/nfs/dbraw/zinc/31/44/79/429314479.db2.gz	VVWLXJOKFWRASW-HNNXBMFYSA-N	0	3	321.396	2.948	20	30		DFEDHN
C=CCC1(C(=O)NCCCN2CCN(CC)CC2)CCCCC1	ZINC000448694755	429316572	/nfs/dbraw/zinc/31/65/72/429316572.db2.gz	PTGRMHGINCXCBT-UHFFFAOYSA-N	0	3	321.509	2.657	20	30		DFEDHN
CC(C)(C)OC(=O)NCCN[C@@H]1CCc2ccc(C#N)cc21	ZINC000496857756	429316922	/nfs/dbraw/zinc/31/69/22/429316922.db2.gz	VHZFUHYXSLUJID-OAHLLOKOSA-N	0	3	301.390	2.660	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)C/C(C)=C\c1ccccc1	ZINC000491694254	429392702	/nfs/dbraw/zinc/39/27/02/429392702.db2.gz	VRIVDYWFSNJKJA-ICFOKQHNSA-N	0	3	313.445	2.686	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc3ccccc3s2)CC1	ZINC000491744421	429400043	/nfs/dbraw/zinc/40/00/43/429400043.db2.gz	XLFWXYLKMXGICP-UHFFFAOYSA-N	0	3	312.438	2.863	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491742447	429400112	/nfs/dbraw/zinc/40/01/12/429400112.db2.gz	QDQJXOZXBSCWGP-HOCLYGCPSA-N	0	3	302.393	2.518	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccccc1)c1ccc(F)cc1	ZINC000491745078	429402516	/nfs/dbraw/zinc/40/25/16/429402516.db2.gz	MVHMGYBTPJJCDO-LJQANCHMSA-N	0	3	310.372	2.644	20	30		DFEDHN
C#C[C@@H](NC(=O)Nc1cc(CN(C)C)ccc1OC)C(C)C	ZINC000491750267	429402590	/nfs/dbraw/zinc/40/25/90/429402590.db2.gz	HZXRKKNRPYPRMH-CQSZACIVSA-N	0	3	303.406	2.536	20	30		DFEDHN
CO[C@@H](CNCc1cnc2ccc(C#N)cn12)Cc1ccccc1	ZINC000449395787	429404581	/nfs/dbraw/zinc/40/45/81/429404581.db2.gz	VSYRADOFWNSYDO-GOSISDBHSA-N	0	3	320.396	2.553	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(F)c(Cl)cc1Cl	ZINC000491774640	429407589	/nfs/dbraw/zinc/40/75/89/429407589.db2.gz	CKSKRLGRUBRMHD-UHFFFAOYSA-N	0	3	317.191	2.817	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc(Cl)cc1	ZINC000491787448	429408570	/nfs/dbraw/zinc/40/85/70/429408570.db2.gz	VRVWEGGOQULMID-CJNGLKHVSA-N	0	3	319.836	2.655	20	30		DFEDHN
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc(Cl)cc1	ZINC000491787452	429409341	/nfs/dbraw/zinc/40/93/41/429409341.db2.gz	VRVWEGGOQULMID-XJKSGUPXSA-N	0	3	319.836	2.655	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1c(F)cccc1F	ZINC000491372989	429353394	/nfs/dbraw/zinc/35/33/94/429353394.db2.gz	LLIHJRKLNQRACE-ZDUSSCGKSA-N	0	3	323.387	2.622	20	30		DFEDHN
Cc1cc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1	ZINC000456827300	429353731	/nfs/dbraw/zinc/35/37/31/429353731.db2.gz	AXQOKAUJGNXPRZ-QGZVFWFLSA-N	0	3	318.380	2.569	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1	ZINC000491407877	429358382	/nfs/dbraw/zinc/35/83/82/429358382.db2.gz	WVXGDXRMRUNGSK-JSGCOSHPSA-N	0	3	323.437	2.736	20	30		DFEDHN
C#CCNC(=O)C1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1	ZINC000491438373	429360695	/nfs/dbraw/zinc/36/06/95/429360695.db2.gz	BYFFDYMWBUKFTF-CQSZACIVSA-N	0	3	318.848	2.905	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)CC1	ZINC000491454351	429362509	/nfs/dbraw/zinc/36/25/09/429362509.db2.gz	YFIMBPNSSOOZBP-IDMDMSBLSA-N	0	3	302.462	2.663	20	30		DFEDHN
COC[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456973219	429370251	/nfs/dbraw/zinc/37/02/51/429370251.db2.gz	VNDSULKXQAFJKO-IAGOWNOFSA-N	0	3	300.402	2.786	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000514798066	429371634	/nfs/dbraw/zinc/37/16/34/429371634.db2.gz	GRVABMXNRHMIPS-RDJZCZTQSA-N	0	3	321.428	2.838	20	30		DFEDHN
CO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000514911408	429373667	/nfs/dbraw/zinc/37/36/67/429373667.db2.gz	OFOIZPZWSFEDGV-JKSUJKDBSA-N	0	3	310.401	2.595	20	30		DFEDHN
CS[C@@H]1CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000515348321	429375855	/nfs/dbraw/zinc/37/58/55/429375855.db2.gz	AUEMSZVLOZCARB-BZUAXINKSA-N	0	3	315.442	2.537	20	30		DFEDHN
CS[C@@H]1CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000515348322	429376043	/nfs/dbraw/zinc/37/60/43/429376043.db2.gz	AUEMSZVLOZCARB-HRCADAONSA-N	0	3	315.442	2.537	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1	ZINC000365838708	429383565	/nfs/dbraw/zinc/38/35/65/429383565.db2.gz	LRXCTOMXYCABAK-CYBMUJFWSA-N	0	3	310.335	2.776	20	30		DFEDHN
C#CCN(C(=O)NC[C@H]1CCCCN1C1CC1)C1CCCC1	ZINC000491656314	429386011	/nfs/dbraw/zinc/38/60/11/429386011.db2.gz	BGKCBKWCHVPLPI-QGZVFWFLSA-N	0	3	303.450	2.591	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OCC)c(OC)c1	ZINC000449546890	429447649	/nfs/dbraw/zinc/44/76/49/429447649.db2.gz	FEVNLUDVANAJHZ-CABCVRRESA-N	0	3	321.417	2.926	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2nnc[nH]2)C1	ZINC000366352831	429448425	/nfs/dbraw/zinc/44/84/25/429448425.db2.gz	GNGPHVQFJLTUDR-HNNXBMFYSA-N	0	3	309.417	2.985	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCC[C@@H]1CCS(C)(=O)=O	ZINC000366372390	429449621	/nfs/dbraw/zinc/44/96/21/429449621.db2.gz	CIFSBUCVCINXAF-CQSZACIVSA-N	0	3	300.468	2.606	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C#N	ZINC000427651031	429462647	/nfs/dbraw/zinc/46/26/47/429462647.db2.gz	MSPHNOQCTOWZRF-CQSZACIVSA-N	0	3	317.408	2.938	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)cc1C#N	ZINC000449633754	429465861	/nfs/dbraw/zinc/46/58/61/429465861.db2.gz	QAZIRYWWLJMKRQ-DLBZAZTESA-N	0	3	300.402	2.956	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2C[C@H](OC)C23CCC3)cc1C#N	ZINC000449633761	429466386	/nfs/dbraw/zinc/46/63/86/429466386.db2.gz	QAZIRYWWLJMKRQ-IRXDYDNUSA-N	0	3	300.402	2.956	20	30		DFEDHN
C=CCN(C(=O)/C=C/CN(C)C)c1nc2c(s1)CCCC2	ZINC000492107301	429468295	/nfs/dbraw/zinc/46/82/95/429468295.db2.gz	HTBQMOQXERGVLZ-JXMROGBWSA-N	0	3	305.447	2.659	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C/C1CCOCC1)C(C)C	ZINC000491846902	429418774	/nfs/dbraw/zinc/41/87/74/429418774.db2.gz	PFJMXZBRDQLJLU-LKGOPFMKSA-N	0	3	320.477	2.784	20	30		DFEDHN
N#Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc1	ZINC000366858117	429527185	/nfs/dbraw/zinc/52/71/85/429527185.db2.gz	NINJSZIQFLBCOG-UHFFFAOYSA-N	0	3	324.350	3.170	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cnc2ccc(Br)cn12	ZINC000449694189	429481106	/nfs/dbraw/zinc/48/11/06/429481106.db2.gz	APUNCSSKCYZHFE-GFCCVEGCSA-N	0	3	324.222	2.514	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449694743	429483836	/nfs/dbraw/zinc/48/38/36/429483836.db2.gz	CHILFSSRWLIMJZ-SWLSCSKDSA-N	0	3	306.406	2.631	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449694742	429483890	/nfs/dbraw/zinc/48/38/90/429483890.db2.gz	CHILFSSRWLIMJZ-IUODEOHRSA-N	0	3	306.406	2.631	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCCC[C@H]1CC	ZINC000457580575	429491153	/nfs/dbraw/zinc/49/11/53/429491153.db2.gz	OICPETOBQJSHAN-BRWVUGGUSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](CCCO)C2)cc(OC)c1O	ZINC000449794053	429513601	/nfs/dbraw/zinc/51/36/01/429513601.db2.gz	ZESRHYCYPWVCQX-CQSZACIVSA-N	0	3	305.418	2.724	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc3c2O[C@H](C)C3)CC1	ZINC000449846147	429523609	/nfs/dbraw/zinc/52/36/09/429523609.db2.gz	VXIURTRMGCSCNB-CQSZACIVSA-N	0	3	314.429	2.780	20	30		DFEDHN
CCn1nccc1CCN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000366999120	429556542	/nfs/dbraw/zinc/55/65/42/429556542.db2.gz	ZSLHPNVWNXOELF-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
Cc1cc(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1C#N	ZINC000428853900	429556676	/nfs/dbraw/zinc/55/66/76/429556676.db2.gz	YROSUOQIGWTGDN-KBXCAEBGSA-N	0	3	307.397	2.614	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccsc2)CC1	ZINC000521600308	429559071	/nfs/dbraw/zinc/55/90/71/429559071.db2.gz	BMTJCKWTBCFFDP-CYBMUJFWSA-N	0	3	307.463	2.629	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000521645989	429560014	/nfs/dbraw/zinc/56/00/14/429560014.db2.gz	SFPYAVRLWOHRBL-HUUCEWRRSA-N	0	3	323.481	2.530	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1Cl)c1cccc(F)c1	ZINC000429201944	429586582	/nfs/dbraw/zinc/58/65/82/429586582.db2.gz	JXKXQFGQEGPFKY-AWEZNQCLSA-N	0	3	318.783	3.461	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000520996704	429534490	/nfs/dbraw/zinc/53/44/90/429534490.db2.gz	PCEZYEXTCXAKHT-DLBZAZTESA-N	0	3	321.852	2.587	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450391528	429615631	/nfs/dbraw/zinc/61/56/31/429615631.db2.gz	NEEGGSVQDZVCAC-CQSZACIVSA-N	0	3	317.393	2.784	20	30		DFEDHN
CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N	ZINC000492821478	429622704	/nfs/dbraw/zinc/62/27/04/429622704.db2.gz	YFVRJNHXPJNVKA-WBMJQRKESA-N	0	3	311.426	2.592	20	30		DFEDHN
C[C@H]1[C@H](Nc2ncc(Br)cc2C#N)CCCN1C	ZINC000450440920	429627077	/nfs/dbraw/zinc/62/70/77/429627077.db2.gz	PXLPTTZUZMEUFR-JOYOIKCWSA-N	0	3	309.211	2.610	20	30		DFEDHN
C[C@@H]1[C@H](Nc2ncc(Br)cc2C#N)CCCN1C	ZINC000450440918	429628406	/nfs/dbraw/zinc/62/84/06/429628406.db2.gz	PXLPTTZUZMEUFR-BXKDBHETSA-N	0	3	309.211	2.610	20	30		DFEDHN
C#Cc1ccc(CN[C@H]2CCCc3cnn(CCOC)c32)cc1	ZINC000367376832	429635269	/nfs/dbraw/zinc/63/52/69/429635269.db2.gz	DFEKFRGBGNCWRL-SFHVURJKSA-N	0	3	309.413	2.678	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1	ZINC000450317144	429597368	/nfs/dbraw/zinc/59/73/68/429597368.db2.gz	JJUCSBDPSYXOKL-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
C=CCNc1nnc(SCCN(C)Cc2ccccc2)s1	ZINC000450616281	429663237	/nfs/dbraw/zinc/66/32/37/429663237.db2.gz	ZXRXRZRBTVXFPM-UHFFFAOYSA-N	0	3	320.487	3.360	20	30		DFEDHN
C[C@H]1CCOCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000367661768	429694173	/nfs/dbraw/zinc/69/41/73/429694173.db2.gz	MTRXTPPTGXIQHB-LBPRGKRZSA-N	0	3	321.808	2.651	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459336166	429696057	/nfs/dbraw/zinc/69/60/57/429696057.db2.gz	AEXURUWPZDQDFD-HIFRSBDPSA-N	0	3	314.389	2.525	20	30		DFEDHN
CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1F	ZINC000526056519	429697728	/nfs/dbraw/zinc/69/77/28/429697728.db2.gz	SFFVGIMDCGXZDH-UHFFFAOYSA-N	0	3	321.787	2.721	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000450789478	429700128	/nfs/dbraw/zinc/70/01/28/429700128.db2.gz	FZLGRMUHKMSBCD-AYOQOUSVSA-N	0	3	311.429	2.707	20	30		DFEDHN
Cn1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1=O	ZINC000430641610	429705274	/nfs/dbraw/zinc/70/52/74/429705274.db2.gz	MLISHQXLIFIGJA-LLVKDONJSA-N	0	3	315.398	2.629	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@@H]3CCC[C@H](C)C3)CC2)c1C#N	ZINC000471825428	429712750	/nfs/dbraw/zinc/71/27/50/429712750.db2.gz	VXTZYFFPJNQXMY-GOEBONIOSA-N	0	3	315.465	2.549	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H]1CCCCCC[C@@H]1C(=O)OC	ZINC000481440479	429722974	/nfs/dbraw/zinc/72/29/74/429722974.db2.gz	UVLWMQSRZXOWEX-HOTGVXAUSA-N	0	3	324.465	2.513	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)CC12CCCCC2	ZINC000527128522	429725630	/nfs/dbraw/zinc/72/56/30/429725630.db2.gz	OCMCYQCJVYMEDZ-OAHLLOKOSA-N	0	3	303.450	2.841	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CCC(F)(F)C3)C2)nc1	ZINC000451053536	429758560	/nfs/dbraw/zinc/75/85/60/429758560.db2.gz	DTOIBGIAIOURMD-GXTWGEPZSA-N	0	3	307.344	2.842	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3ccc(F)cc3n2C)CC1	ZINC000431410282	429760076	/nfs/dbraw/zinc/76/00/76/429760076.db2.gz	NUILVOCIFULSLC-UHFFFAOYSA-N	0	3	302.397	3.165	20	30		DFEDHN
O[C@@H]1C[C@@H]([C@@H]2CCCOC2)N(CC#Cc2cccc(Cl)c2)C1	ZINC000451303746	429808144	/nfs/dbraw/zinc/80/81/44/429808144.db2.gz	NDQYYKBTIISNMM-NXHRZFHOSA-N	0	3	319.832	2.553	20	30		DFEDHN
CO[C@@H]1C[C@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C	ZINC000451504586	429837754	/nfs/dbraw/zinc/83/77/54/429837754.db2.gz	RBFXEVUTLZUFJS-UONOGXRCSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000451521485	429839758	/nfs/dbraw/zinc/83/97/58/429839758.db2.gz	ZPELJYCFIOEIQB-RYQLBKOJSA-N	0	3	314.429	2.911	20	30		DFEDHN
CC(C)[C@H]1CN(c2ncncc2C#N)CCN1Cc1ccccc1	ZINC000528123891	429850475	/nfs/dbraw/zinc/85/04/75/429850475.db2.gz	BEARAULAYDMJFN-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCCO[C@@H]3CCC[C@@H]32)c1	ZINC000368452272	429850762	/nfs/dbraw/zinc/85/07/62/429850762.db2.gz	ZIFCCKFAIADTCE-ZWKOTPCHSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(C)[C@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000528127934	429851989	/nfs/dbraw/zinc/85/19/89/429851989.db2.gz	UDOBAJFYZGESSD-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(Cc1ccccc1)C(C)(C)C	ZINC000451602087	429860580	/nfs/dbraw/zinc/86/05/80/429860580.db2.gz	WFRWUIWVORPNPR-SJORKVTESA-N	0	3	316.445	2.747	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1	ZINC000451601582	429860790	/nfs/dbraw/zinc/86/07/90/429860790.db2.gz	AVIGFWABBVGCLB-ZZCKCESHSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000494237922	429861279	/nfs/dbraw/zinc/86/12/79/429861279.db2.gz	NWNRGPRUUNNYCZ-USBNGQNGSA-N	0	3	321.808	2.696	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1	ZINC000368213809	429809645	/nfs/dbraw/zinc/80/96/45/429809645.db2.gz	CPICATOBVISABU-DOTOQJQBSA-N	0	3	310.401	2.929	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](Cc2ccncc2)C1	ZINC000368628014	429880781	/nfs/dbraw/zinc/88/07/81/429880781.db2.gz	ZBKVJGKIIRHNPE-SJLPKXTDSA-N	0	3	313.445	2.535	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528430089	429887876	/nfs/dbraw/zinc/88/78/76/429887876.db2.gz	VVDICIRTERJTRB-QGZVFWFLSA-N	0	3	314.429	2.976	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1	ZINC000528512489	429894948	/nfs/dbraw/zinc/89/49/48/429894948.db2.gz	LVNFPGHWVQTXCP-GOEBONIOSA-N	0	3	320.820	2.848	20	30		DFEDHN
C[C@]1(CNC(=O)NCCCC#N)CCCN1Cc1ccccc1	ZINC000368800842	429895203	/nfs/dbraw/zinc/89/52/03/429895203.db2.gz	SNULUXABKVAHCA-GOSISDBHSA-N	0	3	314.433	2.644	20	30		DFEDHN
COCCC1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000528572813	429899489	/nfs/dbraw/zinc/89/94/89/429899489.db2.gz	IIRNWRWSGUDHCA-UHFFFAOYSA-N	0	3	321.446	2.697	20	30		DFEDHN
COc1cc(CN2CCC([C@H]3CCOC3)CC2)ccc1C#N	ZINC000369117155	429914303	/nfs/dbraw/zinc/91/43/03/429914303.db2.gz	PKPZLTFEBNPDRK-KRWDZBQOSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#CC[C@@H](CC(=O)N1CCCN(C2CC2)CC1)c1ccccc1	ZINC000369129050	429914563	/nfs/dbraw/zinc/91/45/63/429914563.db2.gz	ALPRIJGKCBXDNV-KRWDZBQOSA-N	0	3	311.429	2.771	20	30		DFEDHN
CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000573492975	429956006	/nfs/dbraw/zinc/95/60/06/429956006.db2.gz	ALUNZKUJLLPEFY-INIZCTEOSA-N	0	3	303.362	2.857	20	30		DFEDHN
CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000573492976	429956020	/nfs/dbraw/zinc/95/60/20/429956020.db2.gz	ALUNZKUJLLPEFY-MRXNPFEDSA-N	0	3	303.362	2.857	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccc(Cl)c1	ZINC000369363966	429931009	/nfs/dbraw/zinc/93/10/09/429931009.db2.gz	OYNDOVPAIWCQNM-ZFWWWQNUSA-N	0	3	319.836	2.999	20	30		DFEDHN
C=CCNC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000573247999	429936707	/nfs/dbraw/zinc/93/67/07/429936707.db2.gz	XXZGKEGHOLIIIL-MRXNPFEDSA-N	0	3	304.459	2.686	20	30		DFEDHN
N#CC(C(=O)c1ccc(O[C@H]2CC2(F)F)cc1)c1ccncn1	ZINC000528988287	429946553	/nfs/dbraw/zinc/94/65/53/429946553.db2.gz	VCHHBZDLXLOGJS-JSGCOSHPSA-N	0	3	315.279	2.753	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC12CC2	ZINC000528997347	429946868	/nfs/dbraw/zinc/94/68/68/429946868.db2.gz	UPFUCSHEWHKYCR-CVEARBPZSA-N	0	3	310.397	2.934	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000369450721	429947854	/nfs/dbraw/zinc/94/78/54/429947854.db2.gz	FXPAOCKVPWGVAB-QZTJIDSGSA-N	0	3	323.440	2.941	20	30		DFEDHN
CN(Cc1cc2ccccc2o1)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000574277994	430028724	/nfs/dbraw/zinc/02/87/24/430028724.db2.gz	YFCPRBJNIHJENO-ZDUSSCGKSA-N	0	3	321.384	2.675	20	30		DFEDHN
C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N1CCCC1	ZINC000560479455	430047282	/nfs/dbraw/zinc/04/72/82/430047282.db2.gz	XLRLTRJXFMKRGZ-ZDUSSCGKSA-N	0	3	317.408	2.575	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccccc1	ZINC000574135965	430013471	/nfs/dbraw/zinc/01/34/71/430013471.db2.gz	GRCPBCGLCZAKAY-DLBZAZTESA-N	0	3	311.429	2.817	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1ccco1	ZINC000637321268	430023405	/nfs/dbraw/zinc/02/34/05/430023405.db2.gz	GJBQAMKVSKAMQI-UHFFFAOYSA-N	0	3	307.438	2.955	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1	ZINC000530030381	430096171	/nfs/dbraw/zinc/09/61/71/430096171.db2.gz	YBTISVFPNBBBMT-AWEZNQCLSA-N	0	3	317.820	2.958	20	30		DFEDHN
COc1ccc(CN2CCC[C@]2(C)CO)cc1OCCCC#N	ZINC000530389081	430114673	/nfs/dbraw/zinc/11/46/73/430114673.db2.gz	WYQUDGDOTKHEET-GOSISDBHSA-N	0	3	318.417	2.725	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@@H]2C2CC2)c(-c2ccncc2)n1	ZINC000577261009	430112332	/nfs/dbraw/zinc/11/23/32/430112332.db2.gz	ULTWDMBNLAGQQY-QGZVFWFLSA-N	0	3	307.401	2.843	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1ccnc(C)c1	ZINC000574912241	430052770	/nfs/dbraw/zinc/05/27/70/430052770.db2.gz	VSXGCPGYLOTCGL-GOSISDBHSA-N	0	3	312.413	2.648	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1scnc1C	ZINC000575052541	430054070	/nfs/dbraw/zinc/05/40/70/430054070.db2.gz	BBUTZGWAHYJLDA-HNNXBMFYSA-N	0	3	318.442	2.710	20	30		DFEDHN
CC(C)(CNC[C@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000561076006	430075610	/nfs/dbraw/zinc/07/56/10/430075610.db2.gz	LNEIDTPXPGVIRJ-INIZCTEOSA-N	0	3	310.445	2.856	20	30		DFEDHN
N#Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]32)sc2c1CCC2	ZINC000533081602	430156678	/nfs/dbraw/zinc/15/66/78/430156678.db2.gz	MMPRZSSPGMJYLE-FZMZJTMJSA-N	0	3	315.442	2.921	20	30		DFEDHN
COC(C)(C)CN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000533482328	430160441	/nfs/dbraw/zinc/16/04/41/430160441.db2.gz	PSHWFEQOWLMIJX-CSLYMUCUSA-N	0	3	323.481	2.663	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1C1CCC1	ZINC000563197666	430179892	/nfs/dbraw/zinc/17/98/92/430179892.db2.gz	OCRJDYZEJPVNDJ-ROUUACIJSA-N	0	3	312.413	2.786	20	30		DFEDHN
N#CC1(CCN2CCC[C@H](c3ccnc(N)n3)C2)CCCCC1	ZINC000579565193	430126961	/nfs/dbraw/zinc/12/69/61/430126961.db2.gz	RMGQESBDGWGRMZ-HNNXBMFYSA-N	0	3	313.449	3.102	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(C#N)ncn1	ZINC000562420051	430129429	/nfs/dbraw/zinc/12/94/29/430129429.db2.gz	PZIAIIRLBWVZMV-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
CC[C@](C)(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1	ZINC000580675268	430144485	/nfs/dbraw/zinc/14/44/85/430144485.db2.gz	IQUDZWOJWQYXDA-QGZVFWFLSA-N	0	3	314.389	2.868	20	30		DFEDHN
CCO[C@H]1C[C@@H]1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000563592119	430189823	/nfs/dbraw/zinc/18/98/23/430189823.db2.gz	CDJOGSVEDROPIB-HOCLYGCPSA-N	0	3	304.390	2.645	20	30		DFEDHN
N#CCC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1	ZINC000541979905	430199365	/nfs/dbraw/zinc/19/93/65/430199365.db2.gz	PBDPSOFFYKIWCW-SFHVURJKSA-N	0	3	311.429	2.803	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(c2cccc(F)c2F)CC1	ZINC000565001184	430203313	/nfs/dbraw/zinc/20/33/13/430203313.db2.gz	MHPKVJYWGDADCK-OAHLLOKOSA-N	0	3	321.371	2.692	20	30		DFEDHN
N#Cc1ccc(CCC(=O)NC[C@@H]2CCCCN2C2CC2)cc1	ZINC000581404119	430204554	/nfs/dbraw/zinc/20/45/54/430204554.db2.gz	VCADUEYDUKARCI-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1F	ZINC000543762662	430263233	/nfs/dbraw/zinc/26/32/33/430263233.db2.gz	DGFOKPFZLDJFFC-UBHSHLNASA-N	0	3	324.421	2.704	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)CCN(C)c1ccncc1	ZINC000542785688	430225029	/nfs/dbraw/zinc/22/50/29/430225029.db2.gz	FCFCXNGEHKCGIE-UHFFFAOYSA-N	0	3	324.384	2.817	20	30		DFEDHN
CC(C)[C@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Cl	ZINC000567377877	430284357	/nfs/dbraw/zinc/28/43/57/430284357.db2.gz	GUVMNQGFUVOXHU-YOEHRIQHSA-N	0	3	323.868	2.833	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CC2(CCC2)[C@@H]1C1CCOCC1	ZINC000567727770	430286467	/nfs/dbraw/zinc/28/64/67/430286467.db2.gz	ZRGIXBZCNWCHDN-SFHVURJKSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCCC(F)(F)F	ZINC000567683037	430286823	/nfs/dbraw/zinc/28/68/23/430286823.db2.gz	FRSKKZOCTUCWMY-ZDUSSCGKSA-N	0	3	303.324	2.697	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(NCC3=CCN(C)CC3)c2c1	ZINC000546180642	430348039	/nfs/dbraw/zinc/34/80/39/430348039.db2.gz	JHCPCTMUMFPBQB-UHFFFAOYSA-N	0	3	306.413	2.819	20	30		DFEDHN
Cc1csc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C#N	ZINC000583031776	430357332	/nfs/dbraw/zinc/35/73/32/430357332.db2.gz	BXOVWWAYXUXGMM-NWDGAFQWSA-N	0	3	306.435	2.875	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3ncncc3C#N)c(C)c2)CC1	ZINC000568744461	430388751	/nfs/dbraw/zinc/38/87/51/430388751.db2.gz	FENRUIMTIOHMIM-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000638873646	430464157	/nfs/dbraw/zinc/46/41/57/430464157.db2.gz	CQJSZHKXGQPHEI-QWQRMKEZSA-N	0	3	308.466	2.628	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](CO)CC#CC)ccc1OC	ZINC000641768964	430466580	/nfs/dbraw/zinc/46/65/80/430466580.db2.gz	MUNCANVPSPKDRW-INIZCTEOSA-N	0	3	303.402	2.514	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cnc(-c2ccccc2F)s1	ZINC000641767722	430466794	/nfs/dbraw/zinc/46/67/94/430466794.db2.gz	PTAHLPCLNCYJEM-GFCCVEGCSA-N	0	3	304.390	2.813	20	30		DFEDHN
Cc1ccc(NC2CCN([C@@H](C)c3ccncc3)CC2)nc1C#N	ZINC000584835060	430477754	/nfs/dbraw/zinc/47/77/54/430477754.db2.gz	HSLWFIQPQNLERW-HNNXBMFYSA-N	0	3	321.428	3.294	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21	ZINC000569100820	430422557	/nfs/dbraw/zinc/42/25/57/430422557.db2.gz	RLUVHJDKMRTTFQ-SFHVURJKSA-N	0	3	322.408	2.755	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2cccc(C#N)c2)[C@H]2CCC[C@H]21	ZINC000569855962	430492357	/nfs/dbraw/zinc/49/23/57/430492357.db2.gz	CVNCEMLNJJZYNR-SJORKVTESA-N	0	3	311.429	2.685	20	30		DFEDHN
CN1CC[C@H](Nc2cc(C#N)nc(C3CC3)n2)[C@@H]1c1ccccc1	ZINC000601134397	430538061	/nfs/dbraw/zinc/53/80/61/430538061.db2.gz	BLBGNVXLCOTRPE-WMZOPIPTSA-N	0	3	319.412	3.083	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@H]1n1cccn1	ZINC000551320154	430554948	/nfs/dbraw/zinc/55/49/48/430554948.db2.gz	CELXIOYUDBGEOT-VIBAHUMZSA-N	0	3	310.401	2.824	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)C(C)C	ZINC000174830067	277849079	/nfs/dbraw/zinc/84/90/79/277849079.db2.gz	AUVLCJYOJDOPEO-WMZOPIPTSA-N	0	3	315.461	3.000	20	30		DFEDHN
CC1CCN([C@@H](CNc2cc(C#N)ncn2)c2ccccc2)CC1	ZINC000617941683	430592158	/nfs/dbraw/zinc/59/21/58/430592158.db2.gz	LFEYXFVCFOLXNQ-SFHVURJKSA-N	0	3	321.428	3.233	20	30		DFEDHN
N#CC1(CCN2CCC[C@@H](c3nnc(N)o3)C2)CCCCC1	ZINC000602891235	430544191	/nfs/dbraw/zinc/54/41/91/430544191.db2.gz	GPEOIHKRNNEWOV-CYBMUJFWSA-N	0	3	303.410	2.695	20	30		DFEDHN
COc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1C#N	ZINC000266238571	277899556	/nfs/dbraw/zinc/89/95/56/277899556.db2.gz	WNPQZPWBFZRIJR-HNNXBMFYSA-N	0	3	309.369	2.835	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1	ZINC000571863029	430657584	/nfs/dbraw/zinc/65/75/84/430657584.db2.gz	NIRUSRMROFSLQX-ZDUSSCGKSA-N	0	3	314.433	2.502	20	30		DFEDHN
CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000571169383	430609007	/nfs/dbraw/zinc/60/90/07/430609007.db2.gz	IWFLHXPCSYOJKE-LSDHHAIUSA-N	0	3	301.346	2.514	20	30		DFEDHN
CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000571169382	430609236	/nfs/dbraw/zinc/60/92/36/430609236.db2.gz	IWFLHXPCSYOJKE-HUUCEWRRSA-N	0	3	301.346	2.514	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2cnn3cc(Br)cnc23)C1	ZINC000639346929	430616705	/nfs/dbraw/zinc/61/67/05/430616705.db2.gz	GDDJSBHZGSAWFG-NSHDSACASA-N	0	3	321.222	2.890	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(CCO)(CCO)CC1	ZINC000639393753	430633880	/nfs/dbraw/zinc/63/38/80/430633880.db2.gz	BEAYIUSMSOQDBF-UHFFFAOYSA-N	0	3	319.445	2.598	20	30		DFEDHN
COc1ccccc1N1CCC(NC[C@H](C#N)CCC#N)CC1	ZINC000554487849	430638478	/nfs/dbraw/zinc/63/84/78/430638478.db2.gz	VILBYWHUISUVEI-HNNXBMFYSA-N	0	3	312.417	2.697	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCC1(N2CCSCC2)CCCCC1	ZINC000554551558	430642196	/nfs/dbraw/zinc/64/21/96/430642196.db2.gz	ZDBOVTBTMDEEAX-INIZCTEOSA-N	0	3	320.506	2.771	20	30		DFEDHN
Cc1c(C#N)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)nc2ccccc12	ZINC000571987336	430665840	/nfs/dbraw/zinc/66/58/40/430665840.db2.gz	QWBIBHIOFLVJAY-OCCSQVGLSA-N	0	3	306.413	3.452	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(N2CCOC[C@@H]2C)CC1	ZINC000555879157	430675304	/nfs/dbraw/zinc/67/53/04/430675304.db2.gz	VPKFVKZXXUYRAY-JKSUJKDBSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=C(C)[C@@H](NC[C@@H]1CCc2ncnn21)c1ccc(F)c(F)c1	ZINC000639594111	430678772	/nfs/dbraw/zinc/67/87/72/430678772.db2.gz	NJAHCQSVPBNCQB-BLLLJJGKSA-N	0	3	304.344	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000572289901	430680043	/nfs/dbraw/zinc/68/00/43/430680043.db2.gz	WYTJZAQOYLXRDZ-UHFFFAOYSA-N	0	3	303.793	2.592	20	30		DFEDHN
C[C@H](O)CN(CCOc1cccc(C#N)c1)Cc1ccccc1	ZINC000572449096	430687426	/nfs/dbraw/zinc/68/74/26/430687426.db2.gz	DXPBUZKAPFKWFM-INIZCTEOSA-N	0	3	310.397	2.820	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@@H](O)COCC(F)(F)F	ZINC000292351160	335088871	/nfs/dbraw/zinc/08/88/71/335088871.db2.gz	FAIMFWBIKVDRJG-CQSZACIVSA-N	0	3	303.324	2.614	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000246021898	278257186	/nfs/dbraw/zinc/25/71/86/278257186.db2.gz	OYIXUUMUINVIQJ-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(CN2CCOCC2)CC1	ZINC000118397191	278305728	/nfs/dbraw/zinc/30/57/28/278305728.db2.gz	FOVUNNFJOOUNMV-MRXNPFEDSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=CCNC(=O)CN[C@H](CC)Cc1ccc(C(F)(F)F)cc1	ZINC000657954428	430774917	/nfs/dbraw/zinc/77/49/17/430774917.db2.gz	ZFJQQNJITLKFDA-CQSZACIVSA-N	0	3	314.351	2.918	20	30		DFEDHN
C=CCN(CC(=O)NCc1ccccc1COC)C(C)(C)C	ZINC000661756927	430832033	/nfs/dbraw/zinc/83/20/33/430832033.db2.gz	XSVNDWPQEWVREP-UHFFFAOYSA-N	0	3	304.434	2.736	20	30		DFEDHN
CN1C[C@H]2[C@@H](CCN2CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000644732866	430805167	/nfs/dbraw/zinc/80/51/67/430805167.db2.gz	HCGOHGBNHCWAQU-HOCLYGCPSA-N	0	3	324.346	2.573	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C(F)F)nc2)nc(C)n1	ZINC000654969716	430852433	/nfs/dbraw/zinc/85/24/33/430852433.db2.gz	DMUZLUHNFXXGSQ-LLVKDONJSA-N	0	3	302.284	2.916	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000658335207	430878500	/nfs/dbraw/zinc/87/85/00/430878500.db2.gz	NFOQKYQDBPBTRI-ZYHUDNBSSA-N	0	3	316.323	2.559	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000661878816	430880560	/nfs/dbraw/zinc/88/05/60/430880560.db2.gz	GKYSJRMRIWHDLB-RCCFBDPRSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=CCOCCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1	ZINC000645087278	430899121	/nfs/dbraw/zinc/89/91/21/430899121.db2.gz	SBMTYUCAEYWZQH-SFHVURJKSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]3C[C@@H]3C2)c(OC)c1	ZINC000661975267	430909945	/nfs/dbraw/zinc/90/99/45/430909945.db2.gz	KONGWMGSRZEOOW-BRWVUGGUSA-N	0	3	317.429	2.505	20	30		DFEDHN
C=CCCCCCN(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000661980922	430911542	/nfs/dbraw/zinc/91/15/42/430911542.db2.gz	LGVRADXYJLVCHH-QGZVFWFLSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659042337	430949629	/nfs/dbraw/zinc/94/96/29/430949629.db2.gz	KRFCLMXSZOYVDX-ZBFHGGJFSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000665392389	430921372	/nfs/dbraw/zinc/92/13/72/430921372.db2.gz	ZFNOPKIDZYFWQZ-NCOADZHNSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H]1CCN(C2CC2)C1	ZINC000665393085	430921470	/nfs/dbraw/zinc/92/14/70/430921470.db2.gz	NAGUVOMXDAYQOC-HYVNUMGLSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC(C)(C)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659045355	430951695	/nfs/dbraw/zinc/95/16/95/430951695.db2.gz	VRVDIKXBWHZSAC-HNNXBMFYSA-N	0	3	303.406	2.681	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2	ZINC000655479864	431023634	/nfs/dbraw/zinc/02/36/34/431023634.db2.gz	KAQGPHSYGSNAEH-INIZCTEOSA-N	0	3	313.401	2.945	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000662322391	431047892	/nfs/dbraw/zinc/04/78/92/431047892.db2.gz	QEDWJHUBAYCMHE-QGZVFWFLSA-N	0	3	308.853	2.785	20	30		DFEDHN
C=CCN1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1	ZINC000662376933	431063819	/nfs/dbraw/zinc/06/38/19/431063819.db2.gz	IORSHOJEEZYURG-UHFFFAOYSA-N	0	3	305.422	2.926	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CCN(C(C)(C)CC)CC1	ZINC000655616016	431064679	/nfs/dbraw/zinc/06/46/79/431064679.db2.gz	SVAOVPXYPBAQFG-UHFFFAOYSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N(C)CCN1CCCCC1	ZINC000652567928	431088064	/nfs/dbraw/zinc/08/80/64/431088064.db2.gz	IZIBNZKBANRVAH-UHFFFAOYSA-N	0	3	303.454	2.654	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N(C)CCN1CCCCC1	ZINC000652566044	431088850	/nfs/dbraw/zinc/08/88/50/431088850.db2.gz	USSRKSKQNHJTKS-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
C=CCC[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1	ZINC000655922326	431221064	/nfs/dbraw/zinc/22/10/64/431221064.db2.gz	UDALVJFBKZTAHD-OLZOCXBDSA-N	0	3	315.339	2.883	20	30		DFEDHN
C=CCCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649750238	431275016	/nfs/dbraw/zinc/27/50/16/431275016.db2.gz	IKXUHOLREZOKFG-MOPGFXCFSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1CCOC	ZINC000660700917	431555276	/nfs/dbraw/zinc/55/52/76/431555276.db2.gz	NPTCBZVQWXYDRD-IXDOHACOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCCOCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000653969778	431602063	/nfs/dbraw/zinc/60/20/63/431602063.db2.gz	ANKIHZMZVJXSFH-KRWDZBQOSA-N	0	3	316.445	2.560	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC)CC1	ZINC000660836608	431619064	/nfs/dbraw/zinc/61/90/64/431619064.db2.gz	CHUUDCITJFFKPO-WBVHZDCISA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1nn2c(nc(C)cc2=O)s1	ZINC000661120155	431739507	/nfs/dbraw/zinc/73/95/07/431739507.db2.gz	ZXHCWMUPDMNZJK-STQMWFEESA-N	0	3	318.446	2.684	20	30		DFEDHN
COC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCOCC1	ZINC000661158236	431755777	/nfs/dbraw/zinc/75/57/77/431755777.db2.gz	MRFJSVIYPOSAEU-QGZVFWFLSA-N	0	3	307.821	2.723	20	30		DFEDHN
C=CCOCCCNCc1cnc(-c2ccccc2OC)nc1	ZINC000657659459	431833321	/nfs/dbraw/zinc/83/33/21/431833321.db2.gz	YBHDSSNQPGOVFR-UHFFFAOYSA-N	0	3	313.401	2.835	20	30		DFEDHN
C=CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2OC)C1	ZINC000661379561	431836365	/nfs/dbraw/zinc/83/63/65/431836365.db2.gz	ZRDPTZCSTBKSRH-CVEARBPZSA-N	0	3	316.445	2.988	20	30		DFEDHN
C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCN(C2CC2)C1	ZINC000294931536	288272811	/nfs/dbraw/zinc/27/28/11/288272811.db2.gz	KPSMHKGCDBDDLZ-NSHDSACASA-N	0	3	324.350	2.893	20	30		DFEDHN
C[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1cccc(C#N)c1	ZINC000361933422	298042547	/nfs/dbraw/zinc/04/25/47/298042547.db2.gz	ZYLIIMQBVASZRM-JCGIZDLHSA-N	0	3	311.429	2.604	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(C#N)c1	ZINC000537307195	301297866	/nfs/dbraw/zinc/29/78/66/301297866.db2.gz	MHNCKODDPYUPLN-APHBMKBZSA-N	0	3	306.431	2.565	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1	ZINC000538096394	301316535	/nfs/dbraw/zinc/31/65/35/301316535.db2.gz	KSWCZJIIZPYASM-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1	ZINC000292602711	335091952	/nfs/dbraw/zinc/09/19/52/335091952.db2.gz	LJZRIQSNMPIVBX-SFHVURJKSA-N	0	3	315.417	2.811	20	30		DFEDHN
N#Cc1cnn2cc(CNCC3(c4ccc(F)cc4)CC3)cnc12	ZINC000549761533	301640887	/nfs/dbraw/zinc/64/08/87/301640887.db2.gz	NYFCYFQUARSPFG-UHFFFAOYSA-N	0	3	321.359	2.561	20	30		DFEDHN
CN(CCC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccncc1	ZINC000552817531	301698285	/nfs/dbraw/zinc/69/82/85/301698285.db2.gz	RJVHYELJKUTQQE-UHFFFAOYSA-N	0	3	320.396	2.585	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2CSC[C@H]2C)c(C#N)c1C	ZINC000556831666	301814131	/nfs/dbraw/zinc/81/41/31/301814131.db2.gz	IMGKOMNAOKUQTO-PRHODGIISA-N	0	3	309.460	2.516	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2CSC[C@@H]2C)c(C#N)c1C	ZINC000556831667	301814142	/nfs/dbraw/zinc/81/41/42/301814142.db2.gz	IMGKOMNAOKUQTO-QPUJVOFHSA-N	0	3	309.460	2.516	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCC(=O)NC1CCCCC1)CC2	ZINC000562096851	301951391	/nfs/dbraw/zinc/95/13/91/301951391.db2.gz	WWBIOFPWUXEZAS-GOSISDBHSA-N	0	3	311.429	2.974	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000564855786	302164992	/nfs/dbraw/zinc/16/49/92/302164992.db2.gz	HITAHIZMMRVUHC-WIBUTAKZSA-N	0	3	322.408	2.821	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1cccs1	ZINC000564988582	302179964	/nfs/dbraw/zinc/17/99/64/302179964.db2.gz	CJAUJQLBRPUWBS-UHFFFAOYSA-N	0	3	311.414	2.730	20	30		DFEDHN
N#Cc1ccccc1OC1CCC(NCc2cnccn2)CC1	ZINC000565702572	302238846	/nfs/dbraw/zinc/23/88/46/302238846.db2.gz	AINCIEMOHNZGBC-UHFFFAOYSA-N	0	3	308.385	2.828	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(C#N)c1)Cc1ccccn1	ZINC000566017939	302254194	/nfs/dbraw/zinc/25/41/94/302254194.db2.gz	PIVUBQSLONCDNQ-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
CCSCC[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000566245283	302270129	/nfs/dbraw/zinc/27/01/29/302270129.db2.gz	HDPLHMFXDODOLO-LBPRGKRZSA-N	0	3	303.435	2.564	20	30		DFEDHN
Cc1cc(Nc2cccc(CN3CCSCC3)c2)c(C#N)cn1	ZINC000567719070	302384327	/nfs/dbraw/zinc/38/43/27/302384327.db2.gz	VTAKABUTIVEXIL-UHFFFAOYSA-N	0	3	324.453	2.976	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c[nH]c(C(F)(F)F)c2)CC1	ZINC000292602179	335092046	/nfs/dbraw/zinc/09/20/46/335092046.db2.gz	ARVNNJWIHWOJLV-UHFFFAOYSA-N	0	3	315.339	2.804	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1CN1CCCC1	ZINC000189079247	303186203	/nfs/dbraw/zinc/18/62/03/303186203.db2.gz	ZCKDHOFENFNPKF-OAHLLOKOSA-N	0	3	300.362	2.531	20	30		DFEDHN
C[C@@H](NCCNC(=O)c1ccccc1F)c1ccc(C#N)cc1	ZINC000173985728	315960168	/nfs/dbraw/zinc/96/01/68/315960168.db2.gz	RVTSNXYAKLJUGN-CYBMUJFWSA-N	0	3	311.360	2.778	20	30		DFEDHN
Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1[N+](=O)[O-]	ZINC000174558732	315964160	/nfs/dbraw/zinc/96/41/60/315964160.db2.gz	WGJIRDMSPHPQCW-UHFFFAOYSA-N	0	3	311.341	2.944	20	30		DFEDHN
Cn1c(CCNCc2cc(C#N)cs2)nc2c1cccc2F	ZINC000177701447	315984743	/nfs/dbraw/zinc/98/47/43/315984743.db2.gz	ICRWAYXBAUWBPV-UHFFFAOYSA-N	0	3	314.389	2.978	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCO1	ZINC000182333850	316097557	/nfs/dbraw/zinc/09/75/57/316097557.db2.gz	COAZRARYLHBSDY-DZGCQCFKSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000576561444	318134228	/nfs/dbraw/zinc/13/42/28/318134228.db2.gz	PFTJLEBHRHCGIY-CQSZACIVSA-N	0	3	305.809	2.766	20	30		DFEDHN
Cc1ccccc1CCN(C)Cc1cnc2c(C#N)cnn2c1	ZINC000576823825	318153012	/nfs/dbraw/zinc/15/30/12/318153012.db2.gz	SCXWLWYZSWZVLM-UHFFFAOYSA-N	0	3	305.385	2.584	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577180410	318176287	/nfs/dbraw/zinc/17/62/87/318176287.db2.gz	FOLGSKKQTIQSOY-BBRMVZONSA-N	0	3	317.389	2.982	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577180413	318176390	/nfs/dbraw/zinc/17/63/90/318176390.db2.gz	FOLGSKKQTIQSOY-XJKSGUPXSA-N	0	3	317.389	2.982	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)c(C)n1	ZINC000577528855	318199597	/nfs/dbraw/zinc/19/95/97/318199597.db2.gz	RPUQQSJCVADKPH-UHFFFAOYSA-N	0	3	324.384	2.584	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CCN(C2CC2)C1	ZINC000579675820	318346314	/nfs/dbraw/zinc/34/63/14/318346314.db2.gz	ORBFLZWZANNKSC-GFCCVEGCSA-N	0	3	317.820	2.768	20	30		DFEDHN
Cc1csc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1C#N	ZINC000580031808	318369549	/nfs/dbraw/zinc/36/95/49/318369549.db2.gz	YZMAIBRVUHTIIY-NEPJUHHUSA-N	0	3	304.419	2.629	20	30		DFEDHN
CC1(C)CCC[C@@H]1CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000388935585	323333361	/nfs/dbraw/zinc/33/33/61/323333361.db2.gz	CJORSHSBDKKFIL-OAHLLOKOSA-N	0	3	320.458	2.748	20	30		DFEDHN
CC1(C)CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000389149686	323333880	/nfs/dbraw/zinc/33/38/80/323333880.db2.gz	UQOKUMXRXODQGF-HNNXBMFYSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H](CCC1CC1)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000398080126	323356377	/nfs/dbraw/zinc/35/63/77/323356377.db2.gz	LXUJBMVWXTXQDL-CYBMUJFWSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000558989908	331964794	/nfs/dbraw/zinc/96/47/94/331964794.db2.gz	CSTJYUZNYIEJJB-MRXNPFEDSA-N	0	3	317.481	2.871	20	30		DFEDHN
Cc1csc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000566121911	331976881	/nfs/dbraw/zinc/97/68/81/331976881.db2.gz	SMJCUACSZOBGSK-OAHLLOKOSA-N	0	3	316.426	2.652	20	30		DFEDHN
C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000132417916	332129805	/nfs/dbraw/zinc/12/98/05/332129805.db2.gz	FPXVOBSTCXYQER-KGLIPLIRSA-N	0	3	321.465	2.653	20	30		DFEDHN
Cc1ccc([C@H]2CCCCN2CCC(=O)N(C)CCC#N)o1	ZINC000092797745	332131076	/nfs/dbraw/zinc/13/10/76/332131076.db2.gz	MERWHYMYSLKRIF-OAHLLOKOSA-N	0	3	303.406	2.877	20	30		DFEDHN
CC(C)(CCC#N)CN1CCCN(Cc2cscn2)CC1	ZINC000093016504	332133358	/nfs/dbraw/zinc/13/33/58/332133358.db2.gz	KCPBEKGWDZIIPQ-UHFFFAOYSA-N	0	3	306.479	2.981	20	30		DFEDHN
C[C@@H](O)CCN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000093481171	332139403	/nfs/dbraw/zinc/13/94/03/332139403.db2.gz	CDLDIDIWFGFUAW-OAHLLOKOSA-N	0	3	312.417	2.666	20	30		DFEDHN
C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000292757912	335094070	/nfs/dbraw/zinc/09/40/70/335094070.db2.gz	BREPTSUHCARXRC-UHFFFAOYSA-N	0	3	314.351	2.927	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000236758016	332202038	/nfs/dbraw/zinc/20/20/38/332202038.db2.gz	FDTZXSLNUXQCCS-QGZVFWFLSA-N	0	3	304.434	2.909	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2CCOC2)CC1	ZINC000374611041	332242225	/nfs/dbraw/zinc/24/22/25/332242225.db2.gz	LBKMMXSJPFMPKA-NVXWUHKLSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCCC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2	ZINC000363768561	332244626	/nfs/dbraw/zinc/24/46/26/332244626.db2.gz	RDPKHNPMJUFUDO-UHFFFAOYSA-N	0	3	302.418	2.720	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CCC1)C1CC1	ZINC000104701520	332247649	/nfs/dbraw/zinc/24/76/49/332247649.db2.gz	FHDOEKJXVWXEMW-RTBURBONSA-N	0	3	311.429	2.926	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C1(C#N)CCCC1	ZINC000370916199	332300029	/nfs/dbraw/zinc/30/00/29/332300029.db2.gz	GNSGEINWJDNRPR-IRXDYDNUSA-N	0	3	311.429	2.804	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000370916197	332300046	/nfs/dbraw/zinc/30/00/46/332300046.db2.gz	GNSGEINWJDNRPR-DLBZAZTESA-N	0	3	311.429	2.804	20	30		DFEDHN
C[C@H](NCC1(c2ccccc2)CCCC1)C(=O)N(C)CCC#N	ZINC000112519179	332314070	/nfs/dbraw/zinc/31/40/70/332314070.db2.gz	WFIWEGUHAGGTNA-INIZCTEOSA-N	0	3	313.445	2.849	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(CC)C[C@H]2C)cc1	ZINC000293127242	335100811	/nfs/dbraw/zinc/10/08/11/335100811.db2.gz	IPNLBIHJPRQLIT-VQIMIIECSA-N	0	3	312.457	2.789	20	30		DFEDHN
C=CCC(F)(F)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000293142908	335101100	/nfs/dbraw/zinc/10/11/00/335101100.db2.gz	KBPKLKPNSUQLJR-UHFFFAOYSA-N	0	3	324.331	2.740	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](CN(C)C(=O)C(C)(C)C#N)C2)s1	ZINC000560482902	332344907	/nfs/dbraw/zinc/34/49/07/332344907.db2.gz	CTEKMMPPIKTEKR-AWEZNQCLSA-N	0	3	319.474	2.887	20	30		DFEDHN
CC[C@@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1	ZINC000560618736	332370558	/nfs/dbraw/zinc/37/05/58/332370558.db2.gz	GTXGIIKJEVUVLN-QGZVFWFLSA-N	0	3	301.434	2.895	20	30		DFEDHN
N#CC1(CCN2CCC[C@H](N3CCCC3=O)C2)CCCCC1	ZINC000560701094	332379216	/nfs/dbraw/zinc/37/92/16/332379216.db2.gz	MRJIKIVBJQSUAI-INIZCTEOSA-N	0	3	303.450	2.937	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c(C)o1	ZINC000408381667	332503502	/nfs/dbraw/zinc/50/35/02/332503502.db2.gz	MVOUQLNHALIJCY-GDBMZVCRSA-N	0	3	315.417	2.783	20	30		DFEDHN
C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(=O)NC(C)(C)C	ZINC000170715132	332635671	/nfs/dbraw/zinc/63/56/71/332635671.db2.gz	LMNAEDZCTKNLEE-CHWSQXEVSA-N	0	3	303.406	2.543	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@@H](C)c1sc(C(C)C)nc1C	ZINC000293937642	335115821	/nfs/dbraw/zinc/11/58/21/335115821.db2.gz	ZLFXNBITYBXILK-ZDUSSCGKSA-N	0	3	307.463	2.707	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000171413865	333048254	/nfs/dbraw/zinc/04/82/54/333048254.db2.gz	JVURDXPYZKZKTI-CQSZACIVSA-N	0	3	320.462	2.878	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@H](C)c1c[nH]c2ccccc21	ZINC000294077711	335119868	/nfs/dbraw/zinc/11/98/68/335119868.db2.gz	WJBPHIHJBVTIGF-HNNXBMFYSA-N	0	3	311.429	2.733	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H]2CC(=Nn3cnnc3)CC[C@@H]21	ZINC000497148536	333087017	/nfs/dbraw/zinc/08/70/17/333087017.db2.gz	HVRLJMOKJZZZKS-JSGCOSHPSA-N	0	3	319.409	2.682	20	30		DFEDHN
C#CCCCC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000294292894	335120766	/nfs/dbraw/zinc/12/07/66/335120766.db2.gz	HLKKXLXGXDJCBO-INIZCTEOSA-N	0	3	304.459	2.931	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCn3ncnc32)c([O-])c1	ZINC000176448885	333113346	/nfs/dbraw/zinc/11/33/46/333113346.db2.gz	ULYGBOIQQWNNQM-LZNAANCOSA-N	0	3	313.405	2.784	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2cccc(Cl)c2)CC1	ZINC000179677821	333154456	/nfs/dbraw/zinc/15/44/56/333154456.db2.gz	KGBGNEQFCBFGKP-UHFFFAOYSA-N	0	3	305.809	2.681	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000179880991	333156213	/nfs/dbraw/zinc/15/62/13/333156213.db2.gz	TYDIBLXPTWSHPZ-HNNXBMFYSA-N	0	3	311.429	2.846	20	30		DFEDHN
C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)c1ccccc1	ZINC000181773079	333172294	/nfs/dbraw/zinc/17/22/94/333172294.db2.gz	NEPVTYZPYGDEIS-KUHUBIRLSA-N	0	3	313.445	2.751	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)C(C)(C)c1ccccc1	ZINC000181777423	333172373	/nfs/dbraw/zinc/17/23/73/333172373.db2.gz	STCITISJTNPBCB-KXBFYZLASA-N	0	3	315.461	2.997	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](C)C(C)(C)c1ccccc1	ZINC000181770874	333172402	/nfs/dbraw/zinc/17/24/02/333172402.db2.gz	STYRYCJONZKDLV-HNNXBMFYSA-N	0	3	301.434	2.704	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](c1ccc(OC)cc1)C(C)C	ZINC000182048063	333175200	/nfs/dbraw/zinc/17/52/00/333175200.db2.gz	QXRHGUHKVOIPDG-SFHVURJKSA-N	0	3	317.433	2.744	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000185712446	333212608	/nfs/dbraw/zinc/21/26/08/333212608.db2.gz	TUVXOLXJPIKWOZ-MSOLQXFVSA-N	0	3	311.429	2.981	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1	ZINC000185824289	333214552	/nfs/dbraw/zinc/21/45/52/333214552.db2.gz	GYHSQWCEFMBDJU-YDHLFZDLSA-N	0	3	301.365	2.603	20	30		DFEDHN
COc1cc(OC)cc(OCCN[C@@H]2CCC[C@@H](C#N)C2)c1	ZINC000185863241	333215290	/nfs/dbraw/zinc/21/52/90/333215290.db2.gz	HGGBEVQLWGDEQF-ZIAGYGMSSA-N	0	3	304.390	2.755	20	30		DFEDHN
CCOc1ccc(NC(=O)CN[C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185882335	333215434	/nfs/dbraw/zinc/21/54/34/333215434.db2.gz	SGEVFRYDEJRKDV-UKRRQHHQSA-N	0	3	301.390	2.696	20	30		DFEDHN
CCOc1ccc(NC(=O)CN[C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000185882356	333215454	/nfs/dbraw/zinc/21/54/54/333215454.db2.gz	SGEVFRYDEJRKDV-HIFRSBDPSA-N	0	3	301.390	2.696	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCOCC(F)F)c([O-])c1	ZINC000189559785	333259140	/nfs/dbraw/zinc/25/91/40/333259140.db2.gz	STCHHPWJTKWODT-VCHYOVAHSA-N	0	3	300.349	2.939	20	30		DFEDHN
C=CCC[C@@H](O)CN(CCOC)[C@@H]1CCCc2cccnc21	ZINC000364329080	333289272	/nfs/dbraw/zinc/28/92/72/333289272.db2.gz	PNVOGSRMPMIMMH-IAGOWNOFSA-N	0	3	304.434	2.735	20	30		DFEDHN
C=CCOCCN(C)C[C@H](O)c1ccccc1Br	ZINC000295377430	335133758	/nfs/dbraw/zinc/13/37/58/335133758.db2.gz	QGMNNXKYZLFSCG-AWEZNQCLSA-N	0	3	314.223	2.617	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)COc1ccc(Cl)c(Cl)c1	ZINC000295409766	335134050	/nfs/dbraw/zinc/13/40/50/335134050.db2.gz	MXLHLSCLHVGPTM-JTQLQIEISA-N	0	3	317.216	2.653	20	30		DFEDHN
COC(=O)COc1ccccc1[C@H](C)NCC1(CC#N)CC1	ZINC000430740618	335134101	/nfs/dbraw/zinc/13/41/01/335134101.db2.gz	GTRDZOJTSGRMAC-ZDUSSCGKSA-N	0	3	302.374	2.583	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC000364952512	333333376	/nfs/dbraw/zinc/33/33/76/333333376.db2.gz	CYFLYWISKPPQBK-QRTARXTBSA-N	0	3	311.429	2.574	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000295486359	335135237	/nfs/dbraw/zinc/13/52/37/335135237.db2.gz	YZHGYDGTMQOOJF-MRXNPFEDSA-N	0	3	301.434	2.574	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)O	ZINC000119414196	333351878	/nfs/dbraw/zinc/35/18/78/333351878.db2.gz	LERKPJAMSOLFKB-UHFFFAOYSA-N	0	3	301.308	2.639	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000365637483	333415344	/nfs/dbraw/zinc/41/53/44/333415344.db2.gz	UUPXAPYFZYSMKB-UHFFFAOYSA-N	0	3	316.449	2.929	20	30		DFEDHN
C[C@@H](C(=O)NCC#Cc1cccc(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000338239300	333477593	/nfs/dbraw/zinc/47/75/93/333477593.db2.gz	FGGXHTKYXGFNHF-KFWWJZLASA-N	0	3	302.393	2.555	20	30		DFEDHN
C[C@@H](C(=O)NCC#Cc1cccc(F)c1)N1CCCCCC1	ZINC000338242845	333477767	/nfs/dbraw/zinc/47/77/67/333477767.db2.gz	JNQMTMPUDOERME-HNNXBMFYSA-N	0	3	302.393	2.558	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1	ZINC000339027199	333506506	/nfs/dbraw/zinc/50/65/06/333506506.db2.gz	BHKMMFXFCXSMHS-YJBOKZPZSA-N	0	3	323.440	2.980	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)cc(F)c2F)CC1	ZINC000297165257	335150989	/nfs/dbraw/zinc/15/09/89/335150989.db2.gz	VAKQMOUDDXOHNF-UHFFFAOYSA-N	0	3	313.323	2.876	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCCCC[C@@H]1c1ccco1	ZINC000297294643	335152915	/nfs/dbraw/zinc/15/29/15/335152915.db2.gz	HFSHUKKQHJNBEO-MRXNPFEDSA-N	0	3	317.433	2.861	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccccc1N)C(C)C	ZINC000571280888	333694722	/nfs/dbraw/zinc/69/47/22/333694722.db2.gz	XQIHPSZDFIJXLG-SFHVURJKSA-N	0	3	315.461	2.626	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cncc(Cl)c2C)CC1	ZINC000297003868	335150934	/nfs/dbraw/zinc/15/09/34/335150934.db2.gz	LXDPDJDYNDPWLB-UHFFFAOYSA-N	0	3	308.813	2.815	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3c(c2O)CCCC3)CC1	ZINC000186069417	335158877	/nfs/dbraw/zinc/15/88/77/335158877.db2.gz	JYMFBTSNGNTXMC-UHFFFAOYSA-N	0	3	314.429	2.651	20	30		DFEDHN
CC1(C#N)CCC(NCc2ccccc2S(C)(=O)=O)CC1	ZINC000414271642	333931454	/nfs/dbraw/zinc/93/14/54/333931454.db2.gz	ZTCYSEFLRDAVPL-UHFFFAOYSA-N	0	3	306.431	2.652	20	30		DFEDHN
C=CCOc1cccc(CNCCC(C)(C)S(C)(=O)=O)c1	ZINC000414524005	334006800	/nfs/dbraw/zinc/00/68/00/334006800.db2.gz	YZHUEWYQNJNWCN-UHFFFAOYSA-N	0	3	311.447	2.554	20	30		DFEDHN
CN1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1ccccc1	ZINC000270659303	334015300	/nfs/dbraw/zinc/01/53/00/334015300.db2.gz	OBZDZGVGSAHYLS-RTBURBONSA-N	0	3	319.408	2.928	20	30		DFEDHN
Cc1nccn1CCCON=C(N)CCCc1ccccc1	ZINC000271228216	334020359	/nfs/dbraw/zinc/02/03/59/334020359.db2.gz	SFAVGGSVKYVYBG-UHFFFAOYSA-N	0	3	300.406	2.893	20	30		DFEDHN
CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1O	ZINC000271263141	334020593	/nfs/dbraw/zinc/02/05/93/334020593.db2.gz	HTFJDGDPYIJJAR-MAUKXSAKSA-N	0	3	324.428	2.666	20	30		DFEDHN
Oc1cccc(/C=N/CC2CCN(c3ccncc3)CC2)c1O	ZINC000271355403	334021347	/nfs/dbraw/zinc/02/13/47/334021347.db2.gz	WXYZONMFHIYTMF-DEDYPNTBSA-N	0	3	311.385	2.828	20	30		DFEDHN
Cc1cc([C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000271773595	334026745	/nfs/dbraw/zinc/02/67/45/334026745.db2.gz	AHXDFZROPIARLE-GUYCJALGSA-N	0	3	317.408	2.935	20	30		DFEDHN
C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC#N)cc1	ZINC000271887236	334028182	/nfs/dbraw/zinc/02/81/82/334028182.db2.gz	QZFHXFGFQWXULR-FASAQXTFSA-N	0	3	308.381	2.898	20	30		DFEDHN
COCCCOCCN(C)Cc1ccc(N(C)CCC#N)cc1	ZINC000272389273	334034205	/nfs/dbraw/zinc/03/42/05/334034205.db2.gz	ULLMRQGHZGSQPJ-UHFFFAOYSA-N	0	3	319.449	2.521	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccccc1	ZINC000272538696	334036965	/nfs/dbraw/zinc/03/69/65/334036965.db2.gz	CCUKCGWEVWZPFM-INIZCTEOSA-N	0	3	314.433	2.625	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000272607186	334038127	/nfs/dbraw/zinc/03/81/27/334038127.db2.gz	RPQJTMQAXXXGEQ-UHFFFAOYSA-N	0	3	316.361	2.549	20	30		DFEDHN
COc1cccc(NC(=O)CCN2CCC(C)(C#N)CC2)c1	ZINC000272654048	334038667	/nfs/dbraw/zinc/03/86/67/334038667.db2.gz	ZYWHDOLWZCGNQU-UHFFFAOYSA-N	0	3	301.390	2.649	20	30		DFEDHN
COC(=O)CCCN1CCC(Nc2ccc(CC#N)cc2)CC1	ZINC000274174810	334055990	/nfs/dbraw/zinc/05/59/90/334055990.db2.gz	CTHWRNKUEFYULT-UHFFFAOYSA-N	0	3	315.417	2.582	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)nc1	ZINC000278537981	334097610	/nfs/dbraw/zinc/09/76/10/334097610.db2.gz	FXUDDINLZTZPMU-BZUAXINKSA-N	0	3	312.417	2.733	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000278613347	334098745	/nfs/dbraw/zinc/09/87/45/334098745.db2.gz	WHDIXSYKHNLYHB-UHFFFAOYSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)cc1	ZINC000414823923	334108721	/nfs/dbraw/zinc/10/87/21/334108721.db2.gz	JEJATCIFRNJGJM-CYBMUJFWSA-N	0	3	322.359	2.606	20	30		DFEDHN
Cc1ccc([C@@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)c(C)c1	ZINC000280469393	334117604	/nfs/dbraw/zinc/11/76/04/334117604.db2.gz	OXEBOIDPDGZLSZ-IAGOWNOFSA-N	0	3	313.445	2.853	20	30		DFEDHN
COC[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(C)o1	ZINC000281191594	334123857	/nfs/dbraw/zinc/12/38/57/334123857.db2.gz	BUBWMYIHDOSMKM-OAHLLOKOSA-N	0	3	306.406	2.966	20	30		DFEDHN
CSc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1	ZINC000281509877	334126627	/nfs/dbraw/zinc/12/66/27/334126627.db2.gz	YSCJKFMBZKGAQG-ZDUSSCGKSA-N	0	3	305.447	2.821	20	30		DFEDHN
COc1cc(C[NH2+]CC2CCC(C#N)CC2)c([N+](=O)[O-])cc1[O-]	ZINC000281830141	334128696	/nfs/dbraw/zinc/12/86/96/334128696.db2.gz	XRJPUDPZOQASJG-UHFFFAOYSA-N	0	3	319.361	2.729	20	30		DFEDHN
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(CN(C)C)CCC1	ZINC000282050886	334130925	/nfs/dbraw/zinc/13/09/25/334130925.db2.gz	VGKCMMVNCMPENM-ZDUSSCGKSA-N	0	3	316.405	2.583	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2ccc(CC#N)cc2)c1	ZINC000340136227	334132734	/nfs/dbraw/zinc/13/27/34/334132734.db2.gz	YJPIIRIWTRJSLM-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
CN(Cc1nccs1)[C@H]1CC12CCN(CCCC#N)CC2	ZINC000282723007	334136504	/nfs/dbraw/zinc/13/65/04/334136504.db2.gz	BYZRVWVOEXPEOL-AWEZNQCLSA-N	0	3	304.463	2.733	20	30		DFEDHN
C=CCOc1ccc(CN(CC)CCOCCO)cc1Cl	ZINC000282832257	334137521	/nfs/dbraw/zinc/13/75/21/334137521.db2.gz	UVOKXIZHKCOVJG-UHFFFAOYSA-N	0	3	313.825	2.736	20	30		DFEDHN
CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(C)c1	ZINC000285924305	334150751	/nfs/dbraw/zinc/15/07/51/334150751.db2.gz	COKCGMLNMPVALK-DVEDPGPFSA-N	0	3	313.401	2.562	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000286050192	334151055	/nfs/dbraw/zinc/15/10/55/334151055.db2.gz	LFESBGZHHMWIMC-PKOBYXMFSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1C1CC1	ZINC000290777050	334174721	/nfs/dbraw/zinc/17/47/21/334174721.db2.gz	MICVUCPMTYZYKB-AEFFLSMTSA-N	0	3	314.429	2.613	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)N(CCC#N)Cc2ccco2)C1	ZINC000291573267	334179967	/nfs/dbraw/zinc/17/99/67/334179967.db2.gz	TVPSQLQGSDQESB-QGZVFWFLSA-N	0	3	321.396	2.734	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1	ZINC000292750516	334191586	/nfs/dbraw/zinc/19/15/86/334191586.db2.gz	ICXMCSNLRFTAND-BBRMVZONSA-N	0	3	313.401	2.735	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1	ZINC000292750530	334191720	/nfs/dbraw/zinc/19/17/20/334191720.db2.gz	ICXMCSNLRFTAND-XJKSGUPXSA-N	0	3	313.401	2.735	20	30		DFEDHN
Cc1cc(CNCC(C)(C)CCC#N)nc(N2CCCC2)n1	ZINC000292879045	334193658	/nfs/dbraw/zinc/19/36/58/334193658.db2.gz	XJQOMYHLRGDKLG-UHFFFAOYSA-N	0	3	301.438	2.805	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCNC(=O)[C@@H]1Cc1ccccc1	ZINC000292932007	334194356	/nfs/dbraw/zinc/19/43/56/334194356.db2.gz	JAVUQZXTZAMJID-KRWDZBQOSA-N	0	3	313.445	2.750	20	30		DFEDHN
N#CCCOCCN1CCC(Oc2ccc(F)cc2F)CC1	ZINC000293491431	334198307	/nfs/dbraw/zinc/19/83/07/334198307.db2.gz	NBYVEFSAVMZYKN-UHFFFAOYSA-N	0	3	310.344	2.738	20	30		DFEDHN
C=CC[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000340440207	334201962	/nfs/dbraw/zinc/20/19/62/334201962.db2.gz	HYGFWEDDSXNNLX-QJPTWQEYSA-N	0	3	306.372	2.976	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000293828004	334202552	/nfs/dbraw/zinc/20/25/52/334202552.db2.gz	PNJXQFUHTOUVJH-IAGOWNOFSA-N	0	3	306.381	2.644	20	30		DFEDHN
N#CCCC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1	ZINC000340444720	334203697	/nfs/dbraw/zinc/20/36/97/334203697.db2.gz	ISPWSPODSSPQCO-HZPDHXFCSA-N	0	3	306.431	2.588	20	30		DFEDHN
N#CCCOCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1	ZINC000294106540	334205723	/nfs/dbraw/zinc/20/57/23/334205723.db2.gz	MTDFIXHGSTZKHB-LSDHHAIUSA-N	0	3	312.772	2.829	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)C1	ZINC000294375593	334208709	/nfs/dbraw/zinc/20/87/09/334208709.db2.gz	ZQXSAQWSICBUCF-IBGZPJMESA-N	0	3	323.440	2.800	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc(CC#N)c1	ZINC000295552765	334225023	/nfs/dbraw/zinc/22/50/23/334225023.db2.gz	TUCFKLYVDZFSIU-SFHVURJKSA-N	0	3	313.445	2.993	20	30		DFEDHN
CCc1nnc(CNC2CCC(C#N)(c3ccccc3)CC2)[nH]1	ZINC000295940474	334228697	/nfs/dbraw/zinc/22/86/97/334228697.db2.gz	GGXMUGIOFTZRCW-UHFFFAOYSA-N	0	3	309.417	2.861	20	30		DFEDHN
CCc1nnc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)[n-]1	ZINC000295940474	334228698	/nfs/dbraw/zinc/22/86/98/334228698.db2.gz	GGXMUGIOFTZRCW-UHFFFAOYSA-N	0	3	309.417	2.861	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000297944985	334244983	/nfs/dbraw/zinc/24/49/83/334244983.db2.gz	WNTBLQDOLOIFGW-HOCLYGCPSA-N	0	3	314.433	2.995	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)[C@H]1SC	ZINC000298231668	334247327	/nfs/dbraw/zinc/24/73/27/334247327.db2.gz	BHRLJYANKSKMRI-BZUAXINKSA-N	0	3	306.431	2.588	20	30		DFEDHN
Cc1ncc(CO)c(/C=N/C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[O-]	ZINC000299077639	334252842	/nfs/dbraw/zinc/25/28/42/334252842.db2.gz	QTUVUPVXBZCTDN-JIHKLXRNSA-N	0	3	319.449	2.517	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CNCCCOC	ZINC000041635066	334334179	/nfs/dbraw/zinc/33/41/79/334334179.db2.gz	KLRROGCMUICYKT-UHFFFAOYSA-N	0	3	312.207	2.587	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC1(CCO)CCCC1	ZINC000340747585	334384480	/nfs/dbraw/zinc/38/44/80/334384480.db2.gz	QRQOWILUVQWCTQ-INIZCTEOSA-N	0	3	300.402	2.570	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000340850657	334390140	/nfs/dbraw/zinc/39/01/40/334390140.db2.gz	NONHGEQCEHEKQJ-JKIFEVAISA-N	0	3	321.465	2.511	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000340933885	334394810	/nfs/dbraw/zinc/39/48/10/334394810.db2.gz	ZWVCNBIUIGWHFW-OAHLLOKOSA-N	0	3	304.482	2.899	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCC(F)(F)F)CC1	ZINC000341106012	334409468	/nfs/dbraw/zinc/40/94/68/334409468.db2.gz	OWBUDLQSSHJWCQ-UHFFFAOYSA-N	0	3	307.360	2.669	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(Br)c(OC)s1	ZINC000341320725	334429557	/nfs/dbraw/zinc/42/95/57/334429557.db2.gz	ZYNNHBUMISJVJS-VIFPVBQESA-N	0	3	320.252	2.793	20	30		DFEDHN
C=CCNC(=O)CN[C@H](CC)c1ccc(OC(F)(F)F)cc1	ZINC000353659622	334435248	/nfs/dbraw/zinc/43/52/48/334435248.db2.gz	ZNXDECMHVKQFEE-CYBMUJFWSA-N	0	3	316.323	2.928	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)C(=O)CC(C)(C)C#N	ZINC000366760622	334513571	/nfs/dbraw/zinc/51/35/71/334513571.db2.gz	AVQCAMYAKAQGKY-UHFFFAOYSA-N	0	3	314.433	2.696	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCCC12CCOCC2	ZINC000328768277	334753123	/nfs/dbraw/zinc/75/31/23/334753123.db2.gz	FYSQKOYZNIEOQF-CVEARBPZSA-N	0	3	323.481	2.714	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccn2)CC1	ZINC000330800847	334812270	/nfs/dbraw/zinc/81/22/70/334812270.db2.gz	ACSBDPOMDGCIOF-UHFFFAOYSA-N	0	3	316.327	2.911	20	30		DFEDHN
CC(C)(C)[NH2+]CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2	ZINC000331266414	334847417	/nfs/dbraw/zinc/84/74/17/334847417.db2.gz	QHCRHEWWEGWESX-UHFFFAOYSA-N	0	3	306.406	2.798	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](SC)C(C)(C)C)CC1	ZINC000343766478	335191533	/nfs/dbraw/zinc/19/15/33/335191533.db2.gz	NJZGXZXJGZRCII-CQSZACIVSA-N	0	3	313.511	2.714	20	30		DFEDHN
O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]12	ZINC000344062187	335214292	/nfs/dbraw/zinc/21/42/92/335214292.db2.gz	MTPKHLVSYDINAL-CWRNSKLLSA-N	0	3	309.331	2.760	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000344779122	335276793	/nfs/dbraw/zinc/27/67/93/335276793.db2.gz	UBVRFKPGDGPXBL-OAHLLOKOSA-N	0	3	301.434	2.621	20	30		DFEDHN
C[C@H](C#N)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C	ZINC000344801305	335278047	/nfs/dbraw/zinc/27/80/47/335278047.db2.gz	JQOXMNIRWSHYSI-PBHICJAKSA-N	0	3	313.445	2.735	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1)OCC	ZINC000345073550	335296579	/nfs/dbraw/zinc/29/65/79/335296579.db2.gz	YDDAZYSCZCQPND-SQNIBIBYSA-N	0	3	316.445	2.572	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(CC)CC	ZINC000345152554	335301890	/nfs/dbraw/zinc/30/18/90/335301890.db2.gz	YIYYXCKVTOIKPQ-RBSFLKMASA-N	0	3	321.465	2.511	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000345217433	335309215	/nfs/dbraw/zinc/30/92/15/335309215.db2.gz	FMVGSSYSSKXBAL-LPHOPBHVSA-N	0	3	313.445	2.869	20	30		DFEDHN
CC(C)N1C(=O)N[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21	ZINC000345557071	335334578	/nfs/dbraw/zinc/33/45/78/335334578.db2.gz	ODASOMCDPKCFCN-CABCVRRESA-N	0	3	306.454	2.583	20	30		DFEDHN
CC(C)c1nc(CN(C)[C@@H]2CCN(CCC(C)(C)C#N)C2)no1	ZINC000345710706	335349410	/nfs/dbraw/zinc/34/94/10/335349410.db2.gz	KZDQMLAQQNOLBM-CQSZACIVSA-N	0	3	319.453	2.639	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)NC)cc1Cl	ZINC000345814156	335353066	/nfs/dbraw/zinc/35/30/66/335353066.db2.gz	GGBYANYTNAABAV-HIFRSBDPSA-N	0	3	322.836	2.909	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H](C)C1	ZINC000346181068	335378677	/nfs/dbraw/zinc/37/86/77/335378677.db2.gz	HMNVOGKUADHPFR-ARFHVFGLSA-N	0	3	303.450	2.649	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H](C)C1	ZINC000346181073	335378704	/nfs/dbraw/zinc/37/87/04/335378704.db2.gz	HMNVOGKUADHPFR-JYJNAYRXSA-N	0	3	303.450	2.649	20	30		DFEDHN
Cn1ncc2c1CCC[C@@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000346200537	335389605	/nfs/dbraw/zinc/38/96/05/335389605.db2.gz	RTZJDBQZDURGJB-RDJZCZTQSA-N	0	3	322.412	2.686	20	30		DFEDHN
CCS[C@@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000346285591	335392409	/nfs/dbraw/zinc/39/24/09/335392409.db2.gz	UDNZKXCHRIGEIJ-UONOGXRCSA-N	0	3	309.479	2.545	20	30		DFEDHN
C[C@H](CCCOc1ccccc1C(N)=O)N[C@@H]1CCC[C@H]1C#N	ZINC000347436165	335496273	/nfs/dbraw/zinc/49/62/73/335496273.db2.gz	LPVMAHJJRXXWLS-IJEWVQPXSA-N	0	3	315.417	2.615	20	30		DFEDHN
C[C@H](CS(=O)(=O)c1ccccc1)NCC(C)(C)CCC#N	ZINC000348203429	335565536	/nfs/dbraw/zinc/56/55/36/335565536.db2.gz	DHGOSPMWQFELDO-CQSZACIVSA-N	0	3	308.447	2.768	20	30		DFEDHN
N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000348326579	335577745	/nfs/dbraw/zinc/57/77/45/335577745.db2.gz	IYNFPZVLEMCJIG-PBHICJAKSA-N	0	3	319.836	2.559	20	30		DFEDHN
N#CCCC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1	ZINC000519770135	335895523	/nfs/dbraw/zinc/89/55/23/335895523.db2.gz	JXBFFOXROCCNRS-UHFFFAOYSA-N	0	3	312.417	2.880	20	30		DFEDHN
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CN1[C@H](C)CC[C@H]1C	ZINC000329179850	335948734	/nfs/dbraw/zinc/94/87/34/335948734.db2.gz	MUVOFNGQWMWSLZ-NYTXWWLZSA-N	0	3	320.437	2.562	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1C	ZINC000329258033	335956578	/nfs/dbraw/zinc/95/65/78/335956578.db2.gz	YGCAHTCYYJPTGL-SWLSCSKDSA-N	0	3	319.453	2.624	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cccc2c1OCO2	ZINC000329465657	335979599	/nfs/dbraw/zinc/97/95/99/335979599.db2.gz	RNEKSOODHRDPDE-GFCCVEGCSA-N	0	3	305.378	2.616	20	30		DFEDHN
C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C(=O)N1CCCC[C@@H]1C	ZINC000329500778	335985490	/nfs/dbraw/zinc/98/54/90/335985490.db2.gz	HJTVLHYUCYJYMQ-DZKIICNBSA-N	0	3	321.465	2.607	20	30		DFEDHN
C=CCn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)C	ZINC000351077878	336012243	/nfs/dbraw/zinc/01/22/43/336012243.db2.gz	XELAWCLYXIPTCB-KBPBESRZSA-N	0	3	305.470	2.681	20	30		DFEDHN
C=CC1CCN(Cc2cccc(N(CC)CCOC)n2)CC1	ZINC000351472652	336036356	/nfs/dbraw/zinc/03/63/56/336036356.db2.gz	BGDYWCCGBMOGJG-UHFFFAOYSA-N	0	3	303.450	2.952	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC(F)(C#N)CC1	ZINC000351550195	336042669	/nfs/dbraw/zinc/04/26/69/336042669.db2.gz	GIUXHYIVKKIVDF-UHFFFAOYSA-N	0	3	318.396	2.650	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2nc3ccccc3o2)[C@@H](C)C1	ZINC000351592795	336048250	/nfs/dbraw/zinc/04/82/50/336048250.db2.gz	AMWZTBCWIVMBTH-GJZGRUSLSA-N	0	3	315.417	2.665	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2nc3ccccc3o2)[C@H](C)C1	ZINC000351592796	336048302	/nfs/dbraw/zinc/04/83/02/336048302.db2.gz	AMWZTBCWIVMBTH-HUUCEWRRSA-N	0	3	315.417	2.665	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC(C)(C)C#N)C1	ZINC000351856906	336074051	/nfs/dbraw/zinc/07/40/51/336074051.db2.gz	YNZZLDIJTZGZDG-ZBFHGGJFSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@]1(C)CCO[C@H]1C1CC1	ZINC000329762204	336078955	/nfs/dbraw/zinc/07/89/55/336078955.db2.gz	SITOSEJLFRTQJL-SOLBZPMBSA-N	0	3	323.481	2.712	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000329770373	336079937	/nfs/dbraw/zinc/07/99/37/336079937.db2.gz	ISNQMPZTTQSPPF-ARFHVFGLSA-N	0	3	323.481	2.709	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccn(C3CCCCC3)n2)CC1	ZINC000329924003	336095894	/nfs/dbraw/zinc/09/58/94/336095894.db2.gz	HJMGJJMKMHBZQS-UHFFFAOYSA-N	0	3	316.449	2.769	20	30		DFEDHN
[O-]C(NC[C@H]1CCc2ccccc21)=[NH+]C[C@@H]1CCc2nccn2C1	ZINC000329940931	336097835	/nfs/dbraw/zinc/09/78/35/336097835.db2.gz	GNBDMORTXWCEML-GOEBONIOSA-N	0	3	324.428	2.679	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C[C@H]1CCc2ccccc21	ZINC000329940931	336097836	/nfs/dbraw/zinc/09/78/36/336097836.db2.gz	GNBDMORTXWCEML-GOEBONIOSA-N	0	3	324.428	2.679	20	30		DFEDHN
CC(C)[C@H](C(=O)NC[C@H]1CCCCN1C1CC1)N1CCCC1=O	ZINC000329948589	336098627	/nfs/dbraw/zinc/09/86/27/336098627.db2.gz	KVHIFDTXTMDPRT-NVXWUHKLSA-N	0	3	321.465	2.607	20	30		DFEDHN
CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)CC1=O	ZINC000329951292	336099130	/nfs/dbraw/zinc/09/91/30/336099130.db2.gz	MIRMRYBVIQUBPY-HIFRSBDPSA-N	0	3	321.465	2.607	20	30		DFEDHN
C[C@H](NC(=O)c1csc(=O)[n-]1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000329980490	336102312	/nfs/dbraw/zinc/10/23/12/336102312.db2.gz	LMCANUVQUHLLNH-WDEREUQCSA-N	0	3	309.435	2.806	20	30		DFEDHN
C[C@H](NC(=O)c1csc(=O)[n-]1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329980490	336102313	/nfs/dbraw/zinc/10/23/13/336102313.db2.gz	LMCANUVQUHLLNH-WDEREUQCSA-N	0	3	309.435	2.806	20	30		DFEDHN
COC1(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCC(C)CC1	ZINC000329996697	336104135	/nfs/dbraw/zinc/10/41/35/336104135.db2.gz	PHAXUXHIJMOXPR-QRHJNKNDSA-N	0	3	323.481	2.711	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H](O)Cc1ccccc1	ZINC000330030295	336107472	/nfs/dbraw/zinc/10/74/72/336107472.db2.gz	RJEDSAGLTMLNCB-WBVHZDCISA-N	0	3	302.418	2.563	20	30		DFEDHN
CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1	ZINC000330097863	336113230	/nfs/dbraw/zinc/11/32/30/336113230.db2.gz	YQNQQZIWNMCFQG-WBVHZDCISA-N	0	3	321.465	2.608	20	30		DFEDHN
Cn1ncc(NC(=O)C2CCN(C3CC3)CC2)c1C(F)(F)F	ZINC000330136643	336116839	/nfs/dbraw/zinc/11/68/39/336116839.db2.gz	NKEXTBPNIDZFNB-UHFFFAOYSA-N	0	3	316.327	2.901	20	30		DFEDHN
[O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1C[C@H]1C1CCCCC1	ZINC000330177894	336121116	/nfs/dbraw/zinc/12/11/16/336121116.db2.gz	DHPMFEMKDYTOCV-QLFBSQMISA-N	0	3	302.422	2.670	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)NCC3(CC#N)CC3)CC2)CC1	ZINC000330243638	336129116	/nfs/dbraw/zinc/12/91/16/336129116.db2.gz	CTCGXNNLTYJEAA-UHFFFAOYSA-N	0	3	318.465	2.791	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cn1	ZINC000330272334	336132226	/nfs/dbraw/zinc/13/22/26/336132226.db2.gz	XMJCNVRTKQTEAG-DUFXMDAXSA-N	0	3	309.797	2.869	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000331696006	336144783	/nfs/dbraw/zinc/14/47/83/336144783.db2.gz	WMOQAUMMJPHAJV-RCCFBDPRSA-N	0	3	312.413	2.929	20	30		DFEDHN
O=C(N[C@@H]1CCn2ccnc2C1)[C@@H]1CCCN1C1CCCC1	ZINC000330324358	336158332	/nfs/dbraw/zinc/15/83/32/336158332.db2.gz	UDJHRSXUDDXISM-HIFRSBDPSA-N	0	3	302.422	2.561	20	30		DFEDHN
N#C[C@H]1CCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000332252782	336165063	/nfs/dbraw/zinc/16/50/63/336165063.db2.gz	CNOVZVJBEBUFTA-MSOLQXFVSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000352236718	336205603	/nfs/dbraw/zinc/20/56/03/336205603.db2.gz	FLBCVEZGVMMRPL-GOEBONIOSA-N	0	3	321.490	2.896	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(OC)cc2F)CC1	ZINC000352420154	336217338	/nfs/dbraw/zinc/21/73/38/336217338.db2.gz	ZNNARZDFFHPSKV-UHFFFAOYSA-N	0	3	320.408	2.534	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]2CC2CCCCC2)CCC1	ZINC000526135710	336231576	/nfs/dbraw/zinc/23/15/76/336231576.db2.gz	DGDBNRYPYSHKSD-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000532321294	336238583	/nfs/dbraw/zinc/23/85/83/336238583.db2.gz	DMZPLXRMUAPZAP-QZDWLRDRSA-N	0	3	311.429	2.878	20	30		DFEDHN
C=C(C)COCCN[C@H]1CCN(C(C)=O)Cc2ccccc21	ZINC000352848917	336278560	/nfs/dbraw/zinc/27/85/60/336278560.db2.gz	MJWOKIFZEVXOPC-SFHVURJKSA-N	0	3	302.418	2.662	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc(F)c(F)c1	ZINC000418036136	336396494	/nfs/dbraw/zinc/39/64/94/336396494.db2.gz	VVPZBWPPNXDHJF-OZVIIMIRSA-N	0	3	323.387	2.974	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@H](C)C#N)N(C)C	ZINC000357304893	336580114	/nfs/dbraw/zinc/58/01/14/336580114.db2.gz	KIBAXOQDTXCLBQ-UNEWFSDZSA-N	0	3	316.449	2.787	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)N1CCC(C#N)CC1)c1ccco1	ZINC000357512819	336588442	/nfs/dbraw/zinc/58/84/42/336588442.db2.gz	BZLHOMUNUGUMSK-ZFWWWQNUSA-N	0	3	318.421	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)Nc2ccccc2)CC1	ZINC000358233343	336618395	/nfs/dbraw/zinc/61/83/95/336618395.db2.gz	VXLIVJZDGVKLBP-QGZVFWFLSA-N	0	3	301.434	2.644	20	30		DFEDHN
C[C@H](NCCC(=O)N(C)CCC#N)c1ccc2ncsc2c1	ZINC000362571370	336804366	/nfs/dbraw/zinc/80/43/66/336804366.db2.gz	XBYPCMDSLJQONJ-LBPRGKRZSA-N	0	3	316.430	2.709	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](N2CCCCC2)C1	ZINC000362861929	336813530	/nfs/dbraw/zinc/81/35/30/336813530.db2.gz	PQJOAQJIFCVDJE-QZTJIDSGSA-N	0	3	319.493	2.526	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@]12CCCO2	ZINC000368002897	336834249	/nfs/dbraw/zinc/83/42/49/336834249.db2.gz	UDGXZRPHQPMMEB-QRVBRYPASA-N	0	3	315.413	2.515	20	30		DFEDHN
C#Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1	ZINC000368034585	336836236	/nfs/dbraw/zinc/83/62/36/336836236.db2.gz	BUJKHKLHQXDLJI-UHFFFAOYSA-N	0	3	310.357	2.610	20	30		DFEDHN
C#CCCN1CCC(NC(=O)C2CC(c3ccccc3)C2)CC1	ZINC000369758066	336871335	/nfs/dbraw/zinc/87/13/35/336871335.db2.gz	SMIDZDDCFXKYEZ-UHFFFAOYSA-N	0	3	310.441	2.784	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC(NC(=O)c2ccoc2)CC1	ZINC000369998024	336875502	/nfs/dbraw/zinc/87/55/02/336875502.db2.gz	QLGGDJPSNRRQDN-UHFFFAOYSA-N	0	3	303.406	2.804	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000372963852	336943751	/nfs/dbraw/zinc/94/37/51/336943751.db2.gz	FYGPFAXTVCUFKC-QGZVFWFLSA-N	0	3	322.452	2.991	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@]23CCOC3)cc(OC)c1O	ZINC000375310061	337007722	/nfs/dbraw/zinc/00/77/22/337007722.db2.gz	PFRUZGXSTAUWAH-SFHVURJKSA-N	0	3	303.402	2.884	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000375406606	337010682	/nfs/dbraw/zinc/01/06/82/337010682.db2.gz	UQYOMZFRAQJBON-INIZCTEOSA-N	0	3	323.396	2.949	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000375610497	337014438	/nfs/dbraw/zinc/01/44/38/337014438.db2.gz	FTFYJASHEIANAL-YQVWRLOYSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000375740400	337018377	/nfs/dbraw/zinc/01/83/77/337018377.db2.gz	BPJMIQNVCHWYBH-HOTGVXAUSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](CCC(N)=O)C2)c1	ZINC000122699536	337018563	/nfs/dbraw/zinc/01/85/63/337018563.db2.gz	PGXWTCAGYPYIBW-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCC[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccco1	ZINC000375847477	337021167	/nfs/dbraw/zinc/02/11/67/337021167.db2.gz	BGSIUBGXBUQVAR-LSDHHAIUSA-N	0	3	300.406	2.889	20	30		DFEDHN
C=CCC[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccco1	ZINC000375847474	337021242	/nfs/dbraw/zinc/02/12/42/337021242.db2.gz	BGSIUBGXBUQVAR-GJZGRUSLSA-N	0	3	300.406	2.889	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1	ZINC000305722937	337034246	/nfs/dbraw/zinc/03/42/46/337034246.db2.gz	KNQDQQVPCXTIRR-HOTGVXAUSA-N	0	3	312.417	2.936	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000377006210	337045141	/nfs/dbraw/zinc/04/51/41/337045141.db2.gz	PQZPGRBZDRCXLL-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000377276444	337049917	/nfs/dbraw/zinc/04/99/17/337049917.db2.gz	NYSARURVVYGHQV-OAQYLSRUSA-N	0	3	322.452	2.820	20	30		DFEDHN
C=C(C)CCN1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000377555025	337055083	/nfs/dbraw/zinc/05/50/83/337055083.db2.gz	QDUZWBWLHZKJLH-MRXNPFEDSA-N	0	3	323.481	2.580	20	30		DFEDHN
CCN(C[C@H](C)C#N)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000377605699	337055972	/nfs/dbraw/zinc/05/59/72/337055972.db2.gz	XQRVYJWMOQMNAD-IEBWSBKVSA-N	0	3	315.461	2.759	20	30		DFEDHN
C#Cc1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1	ZINC000377614406	337056218	/nfs/dbraw/zinc/05/62/18/337056218.db2.gz	IPFNVZOAAPRLMR-UHFFFAOYSA-N	0	3	310.441	2.892	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2cccs2)C[C@H]1C	ZINC000377805097	337061764	/nfs/dbraw/zinc/06/17/64/337061764.db2.gz	PQDLNMUWVVWKBR-HZSPNIEDSA-N	0	3	305.447	2.686	20	30		DFEDHN
C#CCOc1ccccc1CN(C)C[C@@H]1CCn2ccnc2C1	ZINC000377861437	337062921	/nfs/dbraw/zinc/06/29/21/337062921.db2.gz	RDDLRGWGSQTELH-MRXNPFEDSA-N	0	3	309.413	2.590	20	30		DFEDHN
CC(C)(C)N1CC[C@](F)(C(=O)NCC2CCC(C#N)CC2)C1	ZINC000377941481	337064233	/nfs/dbraw/zinc/06/42/33/337064233.db2.gz	DRGAHFCLQFNKEP-MQBCKMQZSA-N	0	3	309.429	2.645	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC3(CCOC3=O)CC2)cc1	ZINC000378339766	337070349	/nfs/dbraw/zinc/07/03/49/337070349.db2.gz	FUXPBMFSIFAIQH-UHFFFAOYSA-N	0	3	313.397	2.618	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000171411009	337087307	/nfs/dbraw/zinc/08/73/07/337087307.db2.gz	WHHCQSHYGLDSPI-KRWDZBQOSA-N	0	3	314.433	2.817	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-n3cc(C)cn3)cc2)CC1	ZINC000171718116	337088726	/nfs/dbraw/zinc/08/87/26/337088726.db2.gz	JOSQJWFWIRQGMS-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(OCCC)c2)CC1	ZINC000171718155	337088824	/nfs/dbraw/zinc/08/88/24/337088824.db2.gz	FAAVITLARJVTRZ-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1	ZINC000171726860	337088933	/nfs/dbraw/zinc/08/89/33/337088933.db2.gz	STDUJKPTWHHSIR-HNNXBMFYSA-N	0	3	302.418	2.529	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2cc(C)oc2C)CC1	ZINC000171726815	337088941	/nfs/dbraw/zinc/08/89/41/337088941.db2.gz	JMIDLHVYGVJASF-CYBMUJFWSA-N	0	3	305.422	2.907	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1	ZINC000173579703	337136515	/nfs/dbraw/zinc/13/65/15/337136515.db2.gz	HYMNWQWPCAIGGN-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C#CCCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000174460385	337142012	/nfs/dbraw/zinc/14/20/12/337142012.db2.gz	LXNGOWHVYZWDLV-OAHLLOKOSA-N	0	3	319.474	2.673	20	30		DFEDHN
CO[C@@H](CC(C)C)CN1CCC(C#N)(c2ccccn2)CC1	ZINC000582775624	337147905	/nfs/dbraw/zinc/14/79/05/337147905.db2.gz	MFNYUOBRIYCAMZ-INIZCTEOSA-N	0	3	301.434	3.000	20	30		DFEDHN
C#CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000175598850	337148297	/nfs/dbraw/zinc/14/82/97/337148297.db2.gz	PUJSLNWCZGNJKU-AEFFLSMTSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCCN1CC	ZINC000176978704	337153938	/nfs/dbraw/zinc/15/39/38/337153938.db2.gz	WYPLHCHZTDLKQH-OAHLLOKOSA-N	0	3	302.418	2.808	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1	ZINC000178198483	337161228	/nfs/dbraw/zinc/16/12/28/337161228.db2.gz	LXHDXJZTTUMHPN-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
COC(=O)C[C@@H]1CCCN1Cc1cccc(OCCCC#N)c1	ZINC000179890353	337172489	/nfs/dbraw/zinc/17/24/89/337172489.db2.gz	BXICKXPQPVCUJX-INIZCTEOSA-N	0	3	316.401	2.897	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000180016024	337173113	/nfs/dbraw/zinc/17/31/13/337173113.db2.gz	FXLYHRIZMOORCU-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnc2C)cc1	ZINC000183156805	337190187	/nfs/dbraw/zinc/19/01/87/337190187.db2.gz	BXGHTMSNVQBCNK-ZIAGYGMSSA-N	0	3	312.417	2.522	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000183910798	337195419	/nfs/dbraw/zinc/19/54/19/337195419.db2.gz	XNQYEPPIMCKWHX-DOTOQJQBSA-N	0	3	317.408	2.846	20	30		DFEDHN
CC#CCCCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000185419216	337205313	/nfs/dbraw/zinc/20/53/13/337205313.db2.gz	YQTJKPDAXAAFTP-IRXDYDNUSA-N	0	3	320.477	2.528	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1ccc(O)cc1	ZINC000582840676	337207766	/nfs/dbraw/zinc/20/77/66/337207766.db2.gz	GPDANRYWJQVSOQ-GOSISDBHSA-N	0	3	313.397	2.650	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCC[C@@H]2CCCCO2)CC1	ZINC000186439879	337256264	/nfs/dbraw/zinc/25/62/64/337256264.db2.gz	HMSHDHPYGDSMML-KRWDZBQOSA-N	0	3	323.481	2.675	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(CC)CC	ZINC000187047148	337261357	/nfs/dbraw/zinc/26/13/57/337261357.db2.gz	OTZJRXZTNWVFBF-INMHGKMJSA-N	0	3	323.481	2.614	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCSCC[C@@H]2C)CC1	ZINC000188681846	337274951	/nfs/dbraw/zinc/27/49/51/337274951.db2.gz	RDVKQGOAXHGDHS-AWEZNQCLSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1ccccn1	ZINC000191200060	337294683	/nfs/dbraw/zinc/29/46/83/337294683.db2.gz	MALOEHCIPNFGKZ-ZDUSSCGKSA-N	0	3	315.446	2.570	20	30		DFEDHN
C[C@@H](NCC#Cc1ccccc1)c1ccc(-n2ccnn2)cc1	ZINC000192162818	337303486	/nfs/dbraw/zinc/30/34/86/337303486.db2.gz	FQDHIDSHEIPQQX-MRXNPFEDSA-N	0	3	302.381	2.970	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N(C)CCCCc1ccccc1	ZINC000193438625	337326564	/nfs/dbraw/zinc/32/65/64/337326564.db2.gz	FRULHNLVQIULAY-INIZCTEOSA-N	0	3	301.434	2.702	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@@H](N)c1ccccc1	ZINC000418430536	337385381	/nfs/dbraw/zinc/38/53/81/337385381.db2.gz	PERDKZYFEONIJB-QGZVFWFLSA-N	0	3	313.401	2.720	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](N2CCCCC2)C1	ZINC000108377586	337387843	/nfs/dbraw/zinc/38/78/43/337387843.db2.gz	MWOKPZJQZCTIBN-MSOLQXFVSA-N	0	3	321.509	2.750	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)N1CCC(C)(C#N)CC1	ZINC000418660723	337388464	/nfs/dbraw/zinc/38/84/64/337388464.db2.gz	ZBHGLKWCOWSDHA-MRXNPFEDSA-N	0	3	314.433	2.584	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NC[C@@H](N)c1ccccc1CC	ZINC000418660406	337388475	/nfs/dbraw/zinc/38/84/75/337388475.db2.gz	YPPCIJHNXZSGAF-NVXWUHKLSA-N	0	3	301.434	2.999	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CNCCC1(F)F	ZINC000418780124	337396848	/nfs/dbraw/zinc/39/68/48/337396848.db2.gz	ZWOVHPYMCSLCQE-HNNXBMFYSA-N	0	3	323.387	2.772	20	30		DFEDHN
N#CC1(CCN2CCCN(c3cccnn3)CC2)CCCCC1	ZINC000580406085	337399076	/nfs/dbraw/zinc/39/90/76/337399076.db2.gz	WUZCYYVZTNGBBL-UHFFFAOYSA-N	0	3	313.449	2.853	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@]2(C)CCCS2)CC1	ZINC000125611043	337413104	/nfs/dbraw/zinc/41/31/04/337413104.db2.gz	DPCDUSQUCKNAMV-INIZCTEOSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=C[C@H](C)NCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000237060368	337467370	/nfs/dbraw/zinc/46/73/70/337467370.db2.gz	NNLXDQCWZNQDEY-KBPBESRZSA-N	0	3	320.433	2.605	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C2CC2)cc1	ZINC000419351451	337480584	/nfs/dbraw/zinc/48/05/84/337480584.db2.gz	JEMXITJZUUMKLS-CHWSQXEVSA-N	0	3	315.417	2.615	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1	ZINC000424023242	337730385	/nfs/dbraw/zinc/73/03/85/337730385.db2.gz	ATOOUGLRDQYFPU-DOTOQJQBSA-N	0	3	302.393	2.847	20	30		DFEDHN
CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N	ZINC000424090002	337732452	/nfs/dbraw/zinc/73/24/52/337732452.db2.gz	JQXKBHZRTVIXHZ-OAHLLOKOSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#CC1(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)CCC1	ZINC000527128340	337732647	/nfs/dbraw/zinc/73/26/47/337732647.db2.gz	AEWNJDGQKIUYQS-UHFFFAOYSA-N	0	3	315.392	2.747	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCc2ccccc2C1	ZINC000424106375	337736863	/nfs/dbraw/zinc/73/68/63/337736863.db2.gz	SIATVVDIAYJWDW-QZTJIDSGSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000527730998	337759462	/nfs/dbraw/zinc/75/94/62/337759462.db2.gz	SVABSUNOVVUDAD-OAGGEKHMSA-N	0	3	305.466	2.762	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(-c2ccncc2)cc1	ZINC000424143487	337768580	/nfs/dbraw/zinc/76/85/80/337768580.db2.gz	JWSGOPDQNNDQAL-KSSFIOAISA-N	0	3	322.412	2.947	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccccc1NCC(F)(F)F	ZINC000424151711	337776257	/nfs/dbraw/zinc/77/62/57/337776257.db2.gz	HSRGVWYHWYVNEF-SNVBAGLBSA-N	0	3	314.311	2.620	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F	ZINC000424160708	337786239	/nfs/dbraw/zinc/78/62/39/337786239.db2.gz	WVBAILLFNLOTPC-NEPJUHHUSA-N	0	3	305.344	2.635	20	30		DFEDHN
CC[C@@H](CSc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424177933	337798641	/nfs/dbraw/zinc/79/86/41/337798641.db2.gz	VMJWZTILULWRHY-DZGCQCFKSA-N	0	3	305.447	2.695	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(C)on1)C(C)C	ZINC000045030083	337817555	/nfs/dbraw/zinc/81/75/55/337817555.db2.gz	UVHRDBPKDJVUGW-AWEZNQCLSA-N	0	3	306.410	2.803	20	30		DFEDHN
Cc1cc(CN)cc(NC(=O)N(CCC#N)Cc2ccccn2)c1	ZINC000424439171	337833209	/nfs/dbraw/zinc/83/32/09/337833209.db2.gz	RJUMVYREHRAHJM-UHFFFAOYSA-N	0	3	323.400	2.797	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC(C)C)C1CCN(C)CC1	ZINC000424503086	337843818	/nfs/dbraw/zinc/84/38/18/337843818.db2.gz	SUUVNDVYNBYSKS-SJORKVTESA-N	0	3	308.466	2.546	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1F	ZINC000424524012	337847524	/nfs/dbraw/zinc/84/75/24/337847524.db2.gz	YGZNQXKYHWTOLD-CJNGLKHVSA-N	0	3	306.381	2.807	20	30		DFEDHN
CN(C)CCSCC(=O)Nc1ccccc1SCC#N	ZINC000120229878	337871758	/nfs/dbraw/zinc/87/17/58/337871758.db2.gz	BVXHDUJBZKTFGE-UHFFFAOYSA-N	0	3	309.460	2.536	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3cccc(F)c32)CC1	ZINC000426384059	338029933	/nfs/dbraw/zinc/02/99/33/338029933.db2.gz	WYEPPIWELJIOKE-UHFFFAOYSA-N	0	3	317.408	2.938	20	30		DFEDHN
C=C[C@@H]1CCCCN1Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC000426566920	338034798	/nfs/dbraw/zinc/03/47/98/338034798.db2.gz	HUNKUYHQXLGLEC-MRXNPFEDSA-N	0	3	319.449	2.992	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CSc2ccc(Br)cc21	ZINC000428193620	338042090	/nfs/dbraw/zinc/04/20/90/338042090.db2.gz	BXIPMVVXYZUYMZ-XCBNKYQSSA-N	0	3	311.204	2.872	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@H]2CCO)ccc1OC	ZINC000428472143	338054157	/nfs/dbraw/zinc/05/41/57/338054157.db2.gz	FTVVRNSFDSXYBQ-INIZCTEOSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000429708229	338088004	/nfs/dbraw/zinc/08/80/04/338088004.db2.gz	LUMFPPXVTZBUIE-CYBMUJFWSA-N	0	3	324.856	2.502	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)NCC1CCCCC1	ZINC000429713022	338088078	/nfs/dbraw/zinc/08/80/78/338088078.db2.gz	UISSXBQZQQMXRO-INIZCTEOSA-N	0	3	309.498	2.511	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H](CCN(C)CCOC)c1ccccc1	ZINC000430408807	338106573	/nfs/dbraw/zinc/10/65/73/338106573.db2.gz	RAUYVJFZUAEWKY-QGZVFWFLSA-N	0	3	319.449	2.523	20	30		DFEDHN
C=CCN(CCC#N)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000432670885	338162054	/nfs/dbraw/zinc/16/20/54/338162054.db2.gz	NQJDIVRWAHSMIZ-UHFFFAOYSA-N	0	3	316.405	2.561	20	30		DFEDHN
C=CCOc1cccc(CN(C)CCCNC(=O)C2CCC2)c1	ZINC000432817202	338168782	/nfs/dbraw/zinc/16/87/82/338168782.db2.gz	SMVBLPZNCXXHPT-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000433220285	338186357	/nfs/dbraw/zinc/18/63/57/338186357.db2.gz	OZIQLHTZWVJIRW-WMZOPIPTSA-N	0	3	313.445	2.607	20	30		DFEDHN
CN(C)c1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433221364	338186401	/nfs/dbraw/zinc/18/64/01/338186401.db2.gz	SUOQUZVKGVVIJK-QGZVFWFLSA-N	0	3	322.412	2.536	20	30		DFEDHN
COC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000433348922	338193615	/nfs/dbraw/zinc/19/36/15/338193615.db2.gz	AFGOQAQYSBJETL-IRXDYDNUSA-N	0	3	300.402	2.644	20	30		DFEDHN
Cc1noc(C)c1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000433353268	338193771	/nfs/dbraw/zinc/19/37/71/338193771.db2.gz	OSPPGCNOZDJSIF-MRXNPFEDSA-N	0	3	311.385	2.723	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccccc1	ZINC000433373152	338194117	/nfs/dbraw/zinc/19/41/17/338194117.db2.gz	JJTYEKLLEUIGTC-ZWKOTPCHSA-N	0	3	308.381	2.609	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2cc(F)cc(F)c2)CC1	ZINC000433902324	338204497	/nfs/dbraw/zinc/20/44/97/338204497.db2.gz	BRMILIDWTYLDBR-UHFFFAOYSA-N	0	3	323.387	2.757	20	30		DFEDHN
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(C)C#N)n1	ZINC000434369320	338215369	/nfs/dbraw/zinc/21/53/69/338215369.db2.gz	JZYIQMHCPRLEQC-CYBMUJFWSA-N	0	3	308.385	2.782	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](c2cccnc2)C(C)C)CC1	ZINC000435690900	338245364	/nfs/dbraw/zinc/24/53/64/338245364.db2.gz	ITWZRCIPHPDOJP-GOSISDBHSA-N	0	3	315.461	2.978	20	30		DFEDHN
CC(C#N)C(=O)NCCc1cc(Cl)ccc1Br	ZINC000435965566	338254532	/nfs/dbraw/zinc/25/45/32/338254532.db2.gz	NKWCCRQHKJAKQD-QMMMGPOBSA-N	0	3	315.598	2.921	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl	ZINC000436041642	338256546	/nfs/dbraw/zinc/25/65/46/338256546.db2.gz	VKQYDHNSUIIHQX-QMMMGPOBSA-N	0	3	316.188	2.822	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CC(F)F	ZINC000336810777	338302434	/nfs/dbraw/zinc/30/24/34/338302434.db2.gz	JHYJMDHDUHPQEJ-SECBINFHSA-N	0	3	308.781	2.899	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)N1CCCCC1	ZINC000437625595	338316420	/nfs/dbraw/zinc/31/64/20/338316420.db2.gz	DHDBDEHMTMZFIF-HOTGVXAUSA-N	0	3	323.481	2.531	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1	ZINC000438240989	338337767	/nfs/dbraw/zinc/33/77/67/338337767.db2.gz	WKHUPHLNJMGXDO-CKEIUWERSA-N	0	3	316.401	2.588	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N(C)C1CCCCC1	ZINC000439010747	338358290	/nfs/dbraw/zinc/35/82/90/338358290.db2.gz	XLPCYVPRVQOHHY-INIZCTEOSA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC1	ZINC000446306231	338524964	/nfs/dbraw/zinc/52/49/64/338524964.db2.gz	ZQIRIWGYFDOOHG-AAEUAGOBSA-N	0	3	321.387	2.913	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCCCC2(F)F)CC1	ZINC000448920261	338579903	/nfs/dbraw/zinc/57/99/03/338579903.db2.gz	GISRJVHKLWJNJW-CQSZACIVSA-N	0	3	300.393	2.969	20	30		DFEDHN
C=CCC1(NCc2cn(C)nc2C(=O)OCC)CCCCC1	ZINC000449577470	338639519	/nfs/dbraw/zinc/63/95/19/338639519.db2.gz	WXUXZOZDBBNREY-UHFFFAOYSA-N	0	3	305.422	2.965	20	30		DFEDHN
C=CCC1(C(=O)N2CCC(OCCN(C)C)CC2)CCCC1	ZINC000449859736	338655978	/nfs/dbraw/zinc/65/59/78/338655978.db2.gz	YNLDMTGWUZNFFG-UHFFFAOYSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000451607068	338740191	/nfs/dbraw/zinc/74/01/91/338740191.db2.gz	OMNMBGKPDCHGLM-KMCQBPLKSA-N	0	3	314.429	2.676	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000451605331	338740207	/nfs/dbraw/zinc/74/02/07/338740207.db2.gz	JPDJALFALSEFFH-FMKPAKJESA-N	0	3	320.820	2.769	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000451605333	338740255	/nfs/dbraw/zinc/74/02/55/338740255.db2.gz	JPDJALFALSEFFH-YCPHGPKFSA-N	0	3	320.820	2.769	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(Cl)c1C	ZINC000451608263	338740355	/nfs/dbraw/zinc/74/03/55/338740355.db2.gz	ROFJDRBAPBIQOP-DFBGVHRSSA-N	0	3	308.809	2.909	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)C(C)C	ZINC000451681862	338741878	/nfs/dbraw/zinc/74/18/78/338741878.db2.gz	PFQFBAQXNWKJKI-ZIFCJYIRSA-N	0	3	316.445	2.823	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1OCC(=O)OC	ZINC000453380069	338835010	/nfs/dbraw/zinc/83/50/10/338835010.db2.gz	ZNJIXBMRESWTCG-BMFZPTHFSA-N	0	3	319.401	2.623	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C(=O)N(C)C)cc1	ZINC000453380068	338835018	/nfs/dbraw/zinc/83/50/18/338835018.db2.gz	ZMZHMYNTHPZAAK-XYPHTWIQSA-N	0	3	302.418	2.773	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453457249	338843481	/nfs/dbraw/zinc/84/34/81/338843481.db2.gz	XNLHCZIPVZAVIW-CQSZACIVSA-N	0	3	303.454	2.652	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1CN(C)C	ZINC000457397021	338961757	/nfs/dbraw/zinc/96/17/57/338961757.db2.gz	ICJUHLLCTCKCPA-QZTJIDSGSA-N	0	3	316.445	2.736	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000457472408	338965185	/nfs/dbraw/zinc/96/51/85/338965185.db2.gz	HQRZNFWCIBQASH-KRWDZBQOSA-N	0	3	301.434	2.516	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C3CCCCC3)C2)CC1	ZINC000458334779	338996582	/nfs/dbraw/zinc/99/65/82/338996582.db2.gz	NFOWHLWWHDEXBW-UHFFFAOYSA-N	0	3	305.466	2.859	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000458750249	339004704	/nfs/dbraw/zinc/00/47/04/339004704.db2.gz	FAYYXSYQPUFYQA-HOCLYGCPSA-N	0	3	302.422	2.671	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)NCC(C)(C)CC#N)c1ccco1	ZINC000458769610	339005090	/nfs/dbraw/zinc/00/50/90/339005090.db2.gz	NCKTWUZLKYLDBE-UONOGXRCSA-N	0	3	320.437	2.948	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccccc1	ZINC000458984515	339010063	/nfs/dbraw/zinc/01/00/63/339010063.db2.gz	GPHISIAITREHEX-UHFFFAOYSA-N	0	3	303.450	2.972	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000458990228	339010341	/nfs/dbraw/zinc/01/03/41/339010341.db2.gz	QYQHJDMFISQNHK-INIZCTEOSA-N	0	3	319.449	2.809	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000458995028	339010578	/nfs/dbraw/zinc/01/05/78/339010578.db2.gz	GTJOOGDQRISGNK-QGZVFWFLSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CCCC1	ZINC000459044457	339012014	/nfs/dbraw/zinc/01/20/14/339012014.db2.gz	CWHMAPNUJDHFSB-CVEARBPZSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(CC)CNC(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000459085689	339013310	/nfs/dbraw/zinc/01/33/10/339013310.db2.gz	VPUWYROIGHLCCN-UHFFFAOYSA-N	0	3	305.422	2.852	20	30		DFEDHN
C=CCOc1ccc(CNC2(CO)CCSCC2)cc1OC	ZINC000459721861	339044214	/nfs/dbraw/zinc/04/42/14/339044214.db2.gz	HHRMHBCIDKBYDK-UHFFFAOYSA-N	0	3	323.458	2.608	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)CC1	ZINC000471804519	339354622	/nfs/dbraw/zinc/35/46/22/339354622.db2.gz	NJLZXPZMGTXHIK-DGCLKSJQSA-N	0	3	319.371	2.619	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C	ZINC000471854730	339356084	/nfs/dbraw/zinc/35/60/84/339356084.db2.gz	BGEJTPXSKZMYPL-UAGQMJEPSA-N	0	3	316.445	2.651	20	30		DFEDHN
C=CCCOCCCCC(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000479510664	339538736	/nfs/dbraw/zinc/53/87/36/339538736.db2.gz	YFMSXKFLVCGAQQ-INIZCTEOSA-N	0	3	310.482	2.938	20	30		DFEDHN
CC#CCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000483410093	339664194	/nfs/dbraw/zinc/66/41/94/339664194.db2.gz	BOMHMSGGLVZGIE-UHFFFAOYSA-N	0	3	321.852	2.827	20	30		DFEDHN
C=CCCCS(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1	ZINC000489119747	339802124	/nfs/dbraw/zinc/80/21/24/339802124.db2.gz	RNYMZVXJRPLAHE-JYJNAYRXSA-N	0	3	314.495	2.620	20	30		DFEDHN
C#C[C@H](NC(=O)c1ccccc1CN(C)C)c1ccc(F)cc1	ZINC000491363426	339859434	/nfs/dbraw/zinc/85/94/34/339859434.db2.gz	ZRLCGLAHMVFXAI-SFHVURJKSA-N	0	3	310.372	2.992	20	30		DFEDHN
C#C[C@@H](NC1CCN(CCOC)CC1)c1ccc(Cl)cc1	ZINC000491697494	339874617	/nfs/dbraw/zinc/87/46/17/339874617.db2.gz	AAGNYTOUZRGMMQ-QGZVFWFLSA-N	0	3	306.837	2.715	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000491739836	339877411	/nfs/dbraw/zinc/87/74/11/339877411.db2.gz	UGUXLWPJNDBMOX-LSDHHAIUSA-N	0	3	301.434	2.779	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC2(COC(=O)N2)CC1	ZINC000495292123	339980282	/nfs/dbraw/zinc/98/02/82/339980282.db2.gz	PRCGIUPOQQLYHP-UHFFFAOYSA-N	0	3	313.401	2.562	20	30		DFEDHN
C=CCOCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1	ZINC000496476410	340006266	/nfs/dbraw/zinc/00/62/66/340006266.db2.gz	UZDSZEOMOWXBNR-UHFFFAOYSA-N	0	3	310.438	2.664	20	30		DFEDHN
CCN(C(=O)C(C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496604282	340008742	/nfs/dbraw/zinc/00/87/42/340008742.db2.gz	FIYCUXLQPDJTMJ-KGLIPLIRSA-N	0	3	323.437	2.784	20	30		DFEDHN
C#CC[C@H](CC(F)(F)F)NC1CC(NC(=O)OC(C)(C)C)C1	ZINC000496963632	340017134	/nfs/dbraw/zinc/01/71/34/340017134.db2.gz	RBPCCDFSVLUTMW-VOMCLLRMSA-N	0	3	320.355	2.976	20	30		DFEDHN
C[C@@H](C#N)CNCC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000497040839	340018894	/nfs/dbraw/zinc/01/88/94/340018894.db2.gz	YFZFJPSWTDXCHK-HNNXBMFYSA-N	0	3	315.417	2.784	20	30		DFEDHN
C=CCCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000509518660	340271944	/nfs/dbraw/zinc/27/19/44/340271944.db2.gz	XLCPULIGLOYDPB-VXGBXAGGSA-N	0	3	306.372	2.978	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000521645990	340527009	/nfs/dbraw/zinc/52/70/09/340527009.db2.gz	SFPYAVRLWOHRBL-MUJYYYPQSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1	ZINC000193998908	340587810	/nfs/dbraw/zinc/58/78/10/340587810.db2.gz	QUJLJIJRZIHPHB-LBPRGKRZSA-N	0	3	314.351	2.918	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@]1(C)CCCc2ccccc21	ZINC000538707638	340838947	/nfs/dbraw/zinc/83/89/47/340838947.db2.gz	MZLXRMZRMJIFRU-MOPGFXCFSA-N	0	3	313.445	2.882	20	30		DFEDHN
CN(C(=O)C(C)(C)C#N)c1ccc(OCCN2CCCC2)cc1	ZINC000126916421	340839769	/nfs/dbraw/zinc/83/97/69/340839769.db2.gz	HUCMOMYUKAUOSR-UHFFFAOYSA-N	0	3	315.417	2.674	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCC#Cc1ccc(F)cc1	ZINC000539478477	340886620	/nfs/dbraw/zinc/88/66/20/340886620.db2.gz	BPOZRQJSXGXPRI-FUHWJXTLSA-N	0	3	303.377	2.889	20	30		DFEDHN
COC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000541595921	340976793	/nfs/dbraw/zinc/97/67/93/340976793.db2.gz	WLZRSCGEZWOOPO-NVXWUHKLSA-N	0	3	317.433	2.582	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000132343272	341121065	/nfs/dbraw/zinc/12/10/65/341121065.db2.gz	ITFTWKDVMBUAEG-HUUCEWRRSA-N	0	3	312.454	2.645	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NC[C@@H]1CCCN1CC	ZINC000074170118	341132609	/nfs/dbraw/zinc/13/26/09/341132609.db2.gz	ZEWYTNGEHVGEJD-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@](O)(C1CCN(CCCSCC#N)CC1)C(F)(F)F	ZINC000546638531	341176681	/nfs/dbraw/zinc/17/66/81/341176681.db2.gz	VJNLVDSVYKLFMZ-LBPRGKRZSA-N	0	3	310.385	2.659	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)nc(C)n1	ZINC000547484456	341216536	/nfs/dbraw/zinc/21/65/36/341216536.db2.gz	UYJHIYFGXAFRDW-OAHLLOKOSA-N	0	3	321.384	2.579	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@@H](c1cccs1)N1CCCC1	ZINC000551357446	341339365	/nfs/dbraw/zinc/33/93/65/341339365.db2.gz	DTTWBKDSAZIGTB-GJZGRUSLSA-N	0	3	302.447	2.918	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@H](c1cccs1)N1CCCC1	ZINC000551357448	341339415	/nfs/dbraw/zinc/33/94/15/341339415.db2.gz	DTTWBKDSAZIGTB-LSDHHAIUSA-N	0	3	302.447	2.918	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCC(C)(C)C#N	ZINC000551413251	341340990	/nfs/dbraw/zinc/34/09/90/341340990.db2.gz	GYOOUZOVVORDBT-GOEBONIOSA-N	0	3	302.418	2.936	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@@H](C)[C@H]1C)C(C)C	ZINC000246599569	341354250	/nfs/dbraw/zinc/35/42/50/341354250.db2.gz	DAWXWHAPHIYTNX-IXDOHACOSA-N	0	3	323.481	2.504	20	30		DFEDHN
CC[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)s1	ZINC000566115712	341548135	/nfs/dbraw/zinc/54/81/35/341548135.db2.gz	FXPRLLHSKWWEOG-RYUDHWBXSA-N	0	3	315.870	2.649	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000567820179	341635163	/nfs/dbraw/zinc/63/51/63/341635163.db2.gz	HFXAWYINZLJPKI-MRXNPFEDSA-N	0	3	314.433	2.584	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N(CCOC)CCN(C)C	ZINC000574859202	341771115	/nfs/dbraw/zinc/77/11/15/341771115.db2.gz	YPAJKUFJGHHJCU-UHFFFAOYSA-N	0	3	322.474	2.615	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(c2ccccc2F)CC1	ZINC000577095223	341885560	/nfs/dbraw/zinc/88/55/60/341885560.db2.gz	DBHAPCNKNBFSBV-INIZCTEOSA-N	0	3	303.381	2.553	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2cc(C#N)ncn2)CC1	ZINC000562538883	500595099	/nfs/dbraw/zinc/59/50/99/500595099.db2.gz	TVPNEGOFKNRFJJ-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000302199949	534087649	/nfs/dbraw/zinc/08/76/49/534087649.db2.gz	GVSGIQDZMKIPBX-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccccc1[O-]	ZINC000158061422	522040229	/nfs/dbraw/zinc/04/02/29/522040229.db2.gz	RBDKLLNFUSJEJT-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccccc1[O-]	ZINC000158061422	522040241	/nfs/dbraw/zinc/04/02/41/522040241.db2.gz	RBDKLLNFUSJEJT-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
CC[C@H](O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000265869065	522824404	/nfs/dbraw/zinc/82/44/04/522824404.db2.gz	VCRGEKAFNWEUQN-CVEARBPZSA-N	0	3	318.417	2.571	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC3(CC2)OCCCO3)c1	ZINC000293058801	534811507	/nfs/dbraw/zinc/81/15/07/534811507.db2.gz	SAXSPRPTPRGBCD-UHFFFAOYSA-N	0	3	316.401	2.556	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000364777684	526073919	/nfs/dbraw/zinc/07/39/19/526073919.db2.gz	KEXNDFVOOBTREM-NIKGAXFTSA-N	0	3	324.428	2.941	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCCO[C@@H]3CCC[C@H]32)cc1	ZINC000369458774	526672765	/nfs/dbraw/zinc/67/27/65/526672765.db2.gz	RJWRGPXWYAFXPJ-QZTJIDSGSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(C)(C)CCN1CCN(c2nc3ccccn3c2C#N)CC1	ZINC000302082679	527664821	/nfs/dbraw/zinc/66/48/21/527664821.db2.gz	JQDMQEMOAJCPKR-UHFFFAOYSA-N	0	3	311.433	2.764	20	30		DFEDHN
CC(C)[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000293371534	527732885	/nfs/dbraw/zinc/73/28/85/527732885.db2.gz	OZOJUAWKXGJOQK-MRXNPFEDSA-N	0	3	306.381	2.557	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](Nc2ncc(Br)cc2C#N)C1	ZINC000297371258	529091215	/nfs/dbraw/zinc/09/12/15/529091215.db2.gz	CUAARLMMGXNIDI-MFKMUULPSA-N	0	3	323.238	2.856	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000358562381	535125948	/nfs/dbraw/zinc/12/59/48/535125948.db2.gz	UQWNWXNOFPNKMR-GDBMZVCRSA-N	0	3	319.424	2.705	20	30		DFEDHN
C=CC[C@H](CO)NCc1cccc(OCC)c1OC(F)F	ZINC000680484560	545501029	/nfs/dbraw/zinc/50/10/29/545501029.db2.gz	MNXZHOOVASTUSJ-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=CC[C@H](CO)NCc1c(C)nn(C)c1Oc1ccccc1	ZINC000680485022	545501146	/nfs/dbraw/zinc/50/11/46/545501146.db2.gz	UINRAYAEIKBTCP-CQSZACIVSA-N	0	3	301.390	2.547	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1CC(F)(F)F	ZINC000680617574	545519667	/nfs/dbraw/zinc/51/96/67/545519667.db2.gz	VTQHMJMNSCJZOF-LBPRGKRZSA-N	0	3	322.290	2.947	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@@H]1NCC#Cc1cccc(Cl)c1	ZINC000681451743	545642237	/nfs/dbraw/zinc/64/22/37/545642237.db2.gz	DDTPXCMMKNPUJD-WMZOPIPTSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=CCCN1CCC[C@H](c2nn(-c3ccccc3)cc2C(N)=O)C1	ZINC000682742059	545908745	/nfs/dbraw/zinc/90/87/45/545908745.db2.gz	HDBRDRDBQWVMAN-HNNXBMFYSA-N	0	3	324.428	2.727	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@]1(CC)CCOC1)C(C)C	ZINC000682851051	545927211	/nfs/dbraw/zinc/92/72/11/545927211.db2.gz	MEPVPRVOQWMMPT-SJLPKXTDSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCN1CC[C@@H](N(Cc2cccc(OC)c2)CC(C)C)C1=O	ZINC000685000669	546317264	/nfs/dbraw/zinc/31/72/64/546317264.db2.gz	YACYDTZTJSBCKR-GOSISDBHSA-N	0	3	316.445	2.940	20	30		DFEDHN
C=C(C)COc1cc(CN(C)C[C@@H](O)C2CC2)ccc1OC	ZINC000685461044	546354510	/nfs/dbraw/zinc/35/45/10/546354510.db2.gz	PIVSKLQYESNPBN-MRXNPFEDSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCC[C@H](CCC)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000823894749	608280466	/nfs/dbraw/zinc/28/04/66/608280466.db2.gz	WYOQTJYPKHHCNM-HNNXBMFYSA-N	0	3	315.421	2.970	20	30		DFEDHN
C=CCC[C@H](CCC)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000823894749	608280467	/nfs/dbraw/zinc/28/04/67/608280467.db2.gz	WYOQTJYPKHHCNM-HNNXBMFYSA-N	0	3	315.421	2.970	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)C1CC1	ZINC000823894336	608286215	/nfs/dbraw/zinc/28/62/15/608286215.db2.gz	NONNIUUQWRQRTE-OAHLLOKOSA-N	0	3	313.405	2.710	20	30		DFEDHN
C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)C1CC1	ZINC000823894336	608286216	/nfs/dbraw/zinc/28/62/16/608286216.db2.gz	NONNIUUQWRQRTE-OAHLLOKOSA-N	0	3	313.405	2.710	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824613851	608491141	/nfs/dbraw/zinc/49/11/41/608491141.db2.gz	WKYWEMXCUMJALK-NSHDSACASA-N	0	3	322.347	2.728	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1cc(C#N)cs1	ZINC000084072058	282096641	/nfs/dbraw/zinc/09/66/41/282096641.db2.gz	TZKNXPQBKPNXJO-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000076737176	185037629	/nfs/dbraw/zinc/03/76/29/185037629.db2.gz	NPXCMHGOPDYBBE-ZDUSSCGKSA-N	0	3	303.406	2.870	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000076737926	185037783	/nfs/dbraw/zinc/03/77/83/185037783.db2.gz	JGOFCWDHPBUIGJ-ZDUSSCGKSA-N	0	3	306.406	2.929	20	30		DFEDHN
N#Cc1ccc(CNCc2ccc(CN3CCCC3=O)cc2)cc1	ZINC000078825863	185116251	/nfs/dbraw/zinc/11/62/51/185116251.db2.gz	JMWAROJZXQOHRO-UHFFFAOYSA-N	0	3	319.408	2.970	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000081410842	398347892	/nfs/dbraw/zinc/34/78/92/398347892.db2.gz	ZEYBQRBSMNOMHR-QGZVFWFLSA-N	0	3	315.461	2.588	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CC23CCSCC3)CC1	ZINC000448922994	398345771	/nfs/dbraw/zinc/34/57/71/398345771.db2.gz	SOBDUOTXHQMISW-OAHLLOKOSA-N	0	3	308.491	2.676	20	30		DFEDHN
CCCC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000232961019	398358830	/nfs/dbraw/zinc/35/88/30/398358830.db2.gz	YNHIQDNUOCZXRB-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CCN(C)[C@@H](C(C)C)C3)c2c1	ZINC000591936906	398358858	/nfs/dbraw/zinc/35/88/58/398358858.db2.gz	KOZDCSZDGLAYKU-GOSISDBHSA-N	0	3	324.428	2.891	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1	ZINC000488802392	398349289	/nfs/dbraw/zinc/34/92/89/398349289.db2.gz	QVUMNRYLBVETJU-IRXDYDNUSA-N	0	3	309.413	2.502	20	30		DFEDHN
COc1cc(OC)cc(N2CC[C@@H](N(C)CCCC#N)C2)c1	ZINC000081570220	398359223	/nfs/dbraw/zinc/35/92/23/398359223.db2.gz	NGDSTURQKSJUDO-CQSZACIVSA-N	0	3	303.406	2.518	20	30		DFEDHN
C=CCOc1ccc(CNc2cnn(CCN(C)C)c2)cc1	ZINC000236996306	398366735	/nfs/dbraw/zinc/36/67/35/398366735.db2.gz	ZXXUOXFJIWODCL-UHFFFAOYSA-N	0	3	300.406	2.622	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(C#N)cc1	ZINC000088333654	185246245	/nfs/dbraw/zinc/24/62/45/185246245.db2.gz	FPHLHGKBDSSFCK-UHFFFAOYSA-N	0	3	312.373	2.747	20	30		DFEDHN
N#CCCN(C(=O)[C@H](C1CC1)N1CCCC1)c1ccc(F)cc1	ZINC000578822632	398375491	/nfs/dbraw/zinc/37/54/91/398375491.db2.gz	PPOGTXMVPVVWPM-KRWDZBQOSA-N	0	3	315.392	2.947	20	30		DFEDHN
N#C[C@@H](CCc1ccccc1)C(=O)NC1CCN(C2CC2)CC1	ZINC000579428954	398380691	/nfs/dbraw/zinc/38/06/91/398380691.db2.gz	PQZQKFHRJGIFNM-MRXNPFEDSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](CC(=O)OC(C)C)c1ccccc1	ZINC000272832100	210232170	/nfs/dbraw/zinc/23/21/70/210232170.db2.gz	LGZXHPDZEGOGSR-DLBZAZTESA-N	0	3	305.418	2.986	20	30		DFEDHN
CN1CCC(N(Cc2ccccc2)C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181312408	199280332	/nfs/dbraw/zinc/28/03/32/199280332.db2.gz	PXHAAXSQBFBWLY-UHFFFAOYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](CC(=O)OC(C)C)c1ccccc1	ZINC000272832105	210230502	/nfs/dbraw/zinc/23/05/02/210230502.db2.gz	LGZXHPDZEGOGSR-SJORKVTESA-N	0	3	305.418	2.986	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)NCC1(C#N)CC1)c1ccccc1	ZINC000580929200	398386432	/nfs/dbraw/zinc/38/64/32/398386432.db2.gz	CPGAEPUWXGVZJK-CQSZACIVSA-N	0	3	314.433	2.719	20	30		DFEDHN
N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	ZINC000592123228	398387220	/nfs/dbraw/zinc/38/72/20/398387220.db2.gz	RANQGSJOXOSXEO-VAMGGRTRSA-N	0	3	319.408	2.958	20	30		DFEDHN
COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1ccncn1	ZINC000581046880	398387596	/nfs/dbraw/zinc/38/75/96/398387596.db2.gz	CPAKADZEKIVLHH-AWEZNQCLSA-N	0	3	309.325	2.516	20	30		DFEDHN
N#CCCCN[C@H](CCO)c1cccc(OC(F)(F)F)c1	ZINC000592144403	398391752	/nfs/dbraw/zinc/39/17/52/398391752.db2.gz	BWWXAAOTRHMCBR-CYBMUJFWSA-N	0	3	302.296	2.902	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000015297071	398394545	/nfs/dbraw/zinc/39/45/45/398394545.db2.gz	TZAXUAKHOBOJRJ-QGZVFWFLSA-N	0	3	324.380	2.709	20	30		DFEDHN
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CCC#N)CC1	ZINC000582000897	398394609	/nfs/dbraw/zinc/39/46/09/398394609.db2.gz	KOQOTYJPCUTOML-OWCLPIDISA-N	0	3	305.466	2.895	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2	ZINC000332653987	529751045	/nfs/dbraw/zinc/75/10/45/529751045.db2.gz	NZJWASMJUIDNHJ-AAEUAGOBSA-N	0	3	313.380	2.517	20	30		DFEDHN
CCCN(C(=O)Nc1cc(C#N)ccc1OC)[C@@H]1CCN(C)C1	ZINC000592224298	398404427	/nfs/dbraw/zinc/40/44/27/398404427.db2.gz	KXZKGFZCCDUFIL-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCN(C)C1	ZINC000592228240	398405203	/nfs/dbraw/zinc/40/52/03/398405203.db2.gz	STVUOXHSXBCVBT-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(C#N)cc1OC)[C@H]1CCN(C)C1	ZINC000592252164	398408075	/nfs/dbraw/zinc/40/80/75/398408075.db2.gz	UDOORDDELSFIMO-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000596436406	398412149	/nfs/dbraw/zinc/41/21/49/398412149.db2.gz	JKAXBVUPRVFQTE-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
N#Cc1ccnc(NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000596443083	398413552	/nfs/dbraw/zinc/41/35/52/398413552.db2.gz	WVHBYAXDTTXYGA-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H](C)C1	ZINC000681470692	545646349	/nfs/dbraw/zinc/64/63/49/545646349.db2.gz	QEFWXVMAOXMRMV-SUMWQHHRSA-N	0	3	304.821	2.538	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CCCCC2)C1	ZINC000596478533	398424420	/nfs/dbraw/zinc/42/44/20/398424420.db2.gz	PFTNKPZDPNXIHC-CYBMUJFWSA-N	0	3	315.377	2.680	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000067266919	398425892	/nfs/dbraw/zinc/42/58/92/398425892.db2.gz	WAOCZLFSASUOCR-RDJZCZTQSA-N	0	3	304.434	2.695	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000596488570	398427691	/nfs/dbraw/zinc/42/76/91/398427691.db2.gz	RJKPZUXLSRBQJC-CYBMUJFWSA-N	0	3	302.378	2.999	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000596488571	398427771	/nfs/dbraw/zinc/42/77/71/398427771.db2.gz	RJKPZUXLSRBQJC-ZDUSSCGKSA-N	0	3	302.378	2.999	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2OC(C)C)CC1	ZINC000067164157	398421390	/nfs/dbraw/zinc/42/13/90/398421390.db2.gz	WRZYEHOISUTTRV-UHFFFAOYSA-N	0	3	300.402	2.758	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@@]1(O)CCOC1)c1ccc(C#N)c(F)c1	ZINC000592398894	398422071	/nfs/dbraw/zinc/42/20/71/398422071.db2.gz	WCHGWYWDARIPHD-YVEFUNNKSA-N	0	3	306.381	2.526	20	30		DFEDHN
COC[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000181673503	199336468	/nfs/dbraw/zinc/33/64/68/199336468.db2.gz	JADAWXVHQOUMBE-GOSISDBHSA-N	0	3	323.396	2.864	20	30		DFEDHN
N#Cc1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1	ZINC000067442478	398434976	/nfs/dbraw/zinc/43/49/76/398434976.db2.gz	XEPHBFCSCKDCAQ-UHFFFAOYSA-N	0	3	317.396	2.981	20	30		DFEDHN
CC(C)(C#N)CCCN(Cc1ccccc1)[C@@]1(CO)CCOC1	ZINC000585718796	398441848	/nfs/dbraw/zinc/44/18/48/398441848.db2.gz	YRHZROOECGXHMQ-LJQANCHMSA-N	0	3	316.445	2.970	20	30		DFEDHN
CN(CC(=O)NCc1ccc(C#N)cc1)C1CCC(F)(F)CC1	ZINC000286728954	219133952	/nfs/dbraw/zinc/13/39/52/219133952.db2.gz	GZGJEVXMSIKHAS-UHFFFAOYSA-N	0	3	321.371	2.684	20	30		DFEDHN
CN(C)C1(CNC(=O)NC(C)(C)c2cccc(C#N)c2)CCC1	ZINC000596580205	398452745	/nfs/dbraw/zinc/45/27/45/398452745.db2.gz	YUZUQMJCLNPSCE-UHFFFAOYSA-N	0	3	314.433	2.577	20	30		DFEDHN
N#CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCC1	ZINC000026456989	398453399	/nfs/dbraw/zinc/45/33/99/398453399.db2.gz	POOJLFKSXHAPEU-UHFFFAOYSA-N	0	3	311.429	2.851	20	30		DFEDHN
N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCC1	ZINC000586776519	398457021	/nfs/dbraw/zinc/45/70/21/398457021.db2.gz	VHWIBPNCMHCIMU-KZNAEPCWSA-N	0	3	323.440	2.817	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596617597	398461997	/nfs/dbraw/zinc/46/19/97/398461997.db2.gz	UVPBAOIDHDJEGT-YESZJQIVSA-N	0	3	320.481	2.878	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2nccn2C)CC1	ZINC000089925224	398469577	/nfs/dbraw/zinc/46/95/77/398469577.db2.gz	IERKUNZHFYGQPS-RDTXWAMCSA-N	0	3	324.428	2.798	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccccc2C#N)CCS1	ZINC000083415360	192370132	/nfs/dbraw/zinc/37/01/32/192370132.db2.gz	JHQLJPUKJDFOGT-UHFFFAOYSA-N	0	3	303.431	2.714	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1c(Cl)cc(C#N)cc1Cl	ZINC000588189602	398488565	/nfs/dbraw/zinc/48/85/65/398488565.db2.gz	BIWPFRCROWKKBI-QMMMGPOBSA-N	0	3	300.189	2.545	20	30		DFEDHN
CCOC(=O)CC(C)(C)CCN1CCN([C@H](C#N)C(C)C)CC1	ZINC000588203889	398488879	/nfs/dbraw/zinc/48/88/79/398488879.db2.gz	PMFKUJFYKBXZIB-MRXNPFEDSA-N	0	3	323.481	2.522	20	30		DFEDHN
CCCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C)C1	ZINC000592828158	398492290	/nfs/dbraw/zinc/49/22/90/398492290.db2.gz	DNZFDAHWCJMRGM-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cc1nn(C)c(C)c1CNCCSCc1ccccc1C#N	ZINC000170670805	197804350	/nfs/dbraw/zinc/80/43/50/197804350.db2.gz	KVGMGMGERQEFBE-UHFFFAOYSA-N	0	3	314.458	2.932	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596763743	398496423	/nfs/dbraw/zinc/49/64/23/398496423.db2.gz	PRSBAAMIEPZTGP-IRXDYDNUSA-N	0	3	320.481	2.976	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596764740	398497228	/nfs/dbraw/zinc/49/72/28/398497228.db2.gz	HBUSBUXGWXCWTQ-HZMVEIRTSA-N	0	3	318.465	2.727	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(C)CCOCC1)C(C)C	ZINC000588705266	398504786	/nfs/dbraw/zinc/50/47/86/398504786.db2.gz	GSXFWWRZPMDJPU-MRXNPFEDSA-N	0	3	308.466	2.618	20	30		DFEDHN
Cc1ccc(Oc2ccc(NC(=O)[C@]3(C#N)CCNC3)cn2)cc1	ZINC000592958380	398511162	/nfs/dbraw/zinc/51/11/62/398511162.db2.gz	XVVLUNZALHJECR-SFHVURJKSA-N	0	3	322.368	2.624	20	30		DFEDHN
C=CCOCCNCc1cccc(I)c1	ZINC000308918619	398513168	/nfs/dbraw/zinc/51/31/68/398513168.db2.gz	JKVJOZQYSVWQHI-UHFFFAOYSA-N	0	3	317.170	2.583	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCCCN(C)Cc1ccccc1	ZINC000309533606	398513495	/nfs/dbraw/zinc/51/34/95/398513495.db2.gz	DOQVJMQKUUJOLO-UHFFFAOYSA-N	0	3	301.434	2.955	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596853342	398513812	/nfs/dbraw/zinc/51/38/12/398513812.db2.gz	JXDMXOJFHJVIML-WBVHZDCISA-N	0	3	314.433	2.995	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000308178931	398512461	/nfs/dbraw/zinc/51/24/61/398512461.db2.gz	LYBCFJHTTXYMKV-INIZCTEOSA-N	0	3	321.428	2.987	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2ncc(Br)cc2C#N)CCN1C	ZINC000311108742	398515171	/nfs/dbraw/zinc/51/51/71/398515171.db2.gz	DTNFFHLGJCXWCC-CABZTGNLSA-N	0	3	309.211	2.610	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCCCC2)CCN1C	ZINC000596861439	398516273	/nfs/dbraw/zinc/51/62/73/398516273.db2.gz	LLFKWACIXKOYOP-HUUCEWRRSA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@H](CO)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1	ZINC000593024661	398522893	/nfs/dbraw/zinc/52/28/93/398522893.db2.gz	JNUPHAVXLIKVSS-GFCCVEGCSA-N	0	3	303.362	2.592	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000596910262	398527838	/nfs/dbraw/zinc/52/78/38/398527838.db2.gz	YXLOIWFGLZKGHB-RYUDHWBXSA-N	0	3	321.371	2.687	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCOCC2)CC1	ZINC000589159721	398531266	/nfs/dbraw/zinc/53/12/66/398531266.db2.gz	MBHRMZFBVZMUTI-LPHOPBHVSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H]1CC(NCCS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)C1	ZINC000317070575	398533265	/nfs/dbraw/zinc/53/32/65/398533265.db2.gz	ZSFXRUSTPQXWFU-ZIAGYGMSSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000317001887	398533385	/nfs/dbraw/zinc/53/33/85/398533385.db2.gz	NQOSKIQQQJTCKT-GDBMZVCRSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCC(NS(=O)(=O)CCC)CC1	ZINC000091539304	398534374	/nfs/dbraw/zinc/53/43/74/398534374.db2.gz	YDSJZNYIUCTGFL-CQSZACIVSA-N	0	3	302.484	2.525	20	30		DFEDHN
CN(CCc1cccs1)C[C@@H](O)COc1ccccc1C#N	ZINC000317746642	398536757	/nfs/dbraw/zinc/53/67/57/398536757.db2.gz	XZWSVARLJCTRDQ-OAHLLOKOSA-N	0	3	316.426	2.534	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000121447122	185801249	/nfs/dbraw/zinc/80/12/49/185801249.db2.gz	BHWQKPSXVSHWBL-UAGQMJEPSA-N	0	3	300.402	2.812	20	30		DFEDHN
C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC[C@@H]1C	ZINC000032734693	398537825	/nfs/dbraw/zinc/53/78/25/398537825.db2.gz	AETNIODTHJLADC-HOTGVXAUSA-N	0	3	313.445	2.870	20	30		DFEDHN
N#CCSCC(=O)NCc1ccccc1CN1CCCCC1	ZINC000032800536	398538234	/nfs/dbraw/zinc/53/82/34/398538234.db2.gz	ZEKZZBWVTHXPNA-UHFFFAOYSA-N	0	3	317.458	2.545	20	30		DFEDHN
CC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCCCC1	ZINC000319825023	398544674	/nfs/dbraw/zinc/54/46/74/398544674.db2.gz	KMNBHCGXWFLEBU-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(c3ccccn3)C1)CC2	ZINC000589343603	398547137	/nfs/dbraw/zinc/54/71/37/398547137.db2.gz	FYRXGCAVESUUMZ-WMZOPIPTSA-N	0	3	304.397	2.809	20	30		DFEDHN
COC(=O)[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C1CC1	ZINC000593131785	398554503	/nfs/dbraw/zinc/55/45/03/398554503.db2.gz	OMWAPYTVMZLRIK-DLBZAZTESA-N	0	3	317.816	2.823	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000597061066	398558816	/nfs/dbraw/zinc/55/88/16/398558816.db2.gz	JKDGECVQLQZFMR-KRWDZBQOSA-N	0	3	313.445	2.703	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(C#N)cc1	ZINC000324201872	398562276	/nfs/dbraw/zinc/56/22/76/398562276.db2.gz	MBNGMENIEAQUJP-RDTXWAMCSA-N	0	3	321.380	2.520	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(C)CCN1CCCCC1	ZINC000593181632	398566882	/nfs/dbraw/zinc/56/68/82/398566882.db2.gz	ATFVMVWSKPZVBA-UHFFFAOYSA-N	0	3	316.405	2.516	20	30		DFEDHN
COCCc1ccc(OC[C@@H](C)NCC2(CC#N)CC2)cc1	ZINC000597116031	398569223	/nfs/dbraw/zinc/56/92/23/398569223.db2.gz	CIVXGOASFQNSFR-OAHLLOKOSA-N	0	3	302.418	2.926	20	30		DFEDHN
C=CCN1CC[C@@H](N(CCC)CCc2cccc(F)c2)C1=O	ZINC000337178905	398575564	/nfs/dbraw/zinc/57/55/64/398575564.db2.gz	LDFVEWIYIQLQHG-QGZVFWFLSA-N	0	3	304.409	2.867	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CNCC2(C#N)CCC2)cn1	ZINC000597152440	398576777	/nfs/dbraw/zinc/57/67/77/398576777.db2.gz	ASHPKVSCBGBELK-GOEBONIOSA-N	0	3	302.422	2.654	20	30		DFEDHN
C=CCN(CC(=O)N(CCC#N)CCC#N)CC1CCCCC1	ZINC000069860273	398587140	/nfs/dbraw/zinc/58/71/40/398587140.db2.gz	KVIJHPFYNAFRNS-UHFFFAOYSA-N	0	3	316.449	2.711	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000590000813	398589252	/nfs/dbraw/zinc/58/92/52/398589252.db2.gz	PGEYCHMYMHGUFB-KSSFIOAISA-N	0	3	307.397	2.614	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1	ZINC000593298538	398592087	/nfs/dbraw/zinc/59/20/87/398592087.db2.gz	RDNIARZQRUEJNJ-MRXNPFEDSA-N	0	3	314.433	2.672	20	30		DFEDHN
COC(=O)[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000597222894	398596057	/nfs/dbraw/zinc/59/60/57/398596057.db2.gz	PCDWZKNEKJBUOT-TXEJJXNPSA-N	0	3	312.291	2.618	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1	ZINC000590133125	398599405	/nfs/dbraw/zinc/59/94/05/398599405.db2.gz	VRZTYTGFSJABIH-CYBMUJFWSA-N	0	3	303.431	2.695	20	30		DFEDHN
CC(C)c1cnc(CN(C)[C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)o1	ZINC000590162059	398602184	/nfs/dbraw/zinc/60/21/84/398602184.db2.gz	DFLRRYAKSRLJAC-OWCLPIDISA-N	0	3	316.449	2.996	20	30		DFEDHN
CCNC(=O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(C)C	ZINC000590187207	398604318	/nfs/dbraw/zinc/60/43/18/398604318.db2.gz	BMRDLGNHTPBZBR-INIZCTEOSA-N	0	3	301.434	2.738	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1	ZINC000590196003	398605119	/nfs/dbraw/zinc/60/51/19/398605119.db2.gz	XNPNKQAZECVPEO-AWEZNQCLSA-N	0	3	317.458	2.770	20	30		DFEDHN
CCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000043001473	398609567	/nfs/dbraw/zinc/60/95/67/398609567.db2.gz	VPFTVJYOBWHFBW-HNNXBMFYSA-N	0	3	316.449	2.820	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000593387353	398615663	/nfs/dbraw/zinc/61/56/63/398615663.db2.gz	OPMAIFVNYGFZEX-OAHLLOKOSA-N	0	3	314.433	2.625	20	30		DFEDHN
C[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000147732283	186041138	/nfs/dbraw/zinc/04/11/38/186041138.db2.gz	GBEDWZWEGURXSF-BBRMVZONSA-N	0	3	306.431	2.500	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1	ZINC000593392396	398617048	/nfs/dbraw/zinc/61/70/48/398617048.db2.gz	IFYYOXGFAJCTJF-HIFRSBDPSA-N	0	3	302.374	2.735	20	30		DFEDHN
CN1C[C@H]2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)[C@H]2C1	ZINC000590446556	398622537	/nfs/dbraw/zinc/62/25/37/398622537.db2.gz	WGOOGSDAWRPOTK-MFKMUULPSA-N	0	3	324.211	2.641	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCC1(C#N)CCCC1	ZINC000593429456	398625413	/nfs/dbraw/zinc/62/54/13/398625413.db2.gz	GYTAJSRYZMQGPI-CVEARBPZSA-N	0	3	318.465	2.729	20	30		DFEDHN
C[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)CCN(C2CCC2)C1	ZINC000593430283	398626085	/nfs/dbraw/zinc/62/60/85/398626085.db2.gz	HSUWBKYQGINIRK-HNNXBMFYSA-N	0	3	318.465	2.586	20	30		DFEDHN
C=CCCCN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000152404121	186069498	/nfs/dbraw/zinc/06/94/98/186069498.db2.gz	ZHMUDLRSKZBQQD-KRWDZBQOSA-N	0	3	303.450	2.767	20	30		DFEDHN
CC1([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)OCCO1	ZINC000183880002	186226986	/nfs/dbraw/zinc/22/69/86/186226986.db2.gz	HFRWEORXNAZABF-HNNXBMFYSA-N	0	3	304.365	2.672	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000597469923	398646782	/nfs/dbraw/zinc/64/67/82/398646782.db2.gz	YUMWHTPCXWIDDJ-HNNXBMFYSA-N	0	3	314.433	2.696	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1	ZINC000590656449	398646816	/nfs/dbraw/zinc/64/68/16/398646816.db2.gz	ZHVCPUDXUYBZAA-AAEUAGOBSA-N	0	3	317.345	2.538	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H](C)C(=O)NCC)cc1	ZINC000268752930	186378886	/nfs/dbraw/zinc/37/88/86/186378886.db2.gz	YKOULSCJGKBUPZ-QWHCGFSZSA-N	0	3	310.825	2.993	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O	ZINC000590747580	398665234	/nfs/dbraw/zinc/66/52/34/398665234.db2.gz	WDNJDYKSJUZKCM-FUHWJXTLSA-N	0	3	319.408	2.648	20	30		DFEDHN
C[C@@H](CNCC1(C#N)CCCC1)c1ccc(S(C)(=O)=O)cc1	ZINC000593654964	398665688	/nfs/dbraw/zinc/66/56/88/398665688.db2.gz	SJADYQVFGQWRRA-AWEZNQCLSA-N	0	3	320.458	2.867	20	30		DFEDHN
CN1CC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21	ZINC000590801969	398677178	/nfs/dbraw/zinc/67/71/78/398677178.db2.gz	QHULXJXTCJCWJW-CJNGLKHVSA-N	0	3	312.417	2.656	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccnn1C	ZINC000593723444	398677341	/nfs/dbraw/zinc/67/73/41/398677341.db2.gz	WARXKQAIUDLVGU-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2sc(C)cc2OC)CC1	ZINC000072804343	191232442	/nfs/dbraw/zinc/23/24/42/191232442.db2.gz	WGVZAMCWGCHZAE-UHFFFAOYSA-N	0	3	308.447	2.835	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2cn(C)c3ccccc23)CC1	ZINC000173101815	198184934	/nfs/dbraw/zinc/18/49/34/198184934.db2.gz	QLGPJCVZXBJUNK-CMDGGOBGSA-N	0	3	323.440	2.958	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1	ZINC000173160993	198190468	/nfs/dbraw/zinc/19/04/68/198190468.db2.gz	XSGKVBZIDHTNAU-UYAOXDASSA-N	0	3	310.441	2.657	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc(Br)cc2)C1=O	ZINC000281226480	334977955	/nfs/dbraw/zinc/97/79/55/334977955.db2.gz	OTVNVDQQXNLELS-BXUZGUMPSA-N	0	3	323.234	2.887	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1c2ccccc2CC[C@H]1CN(C)C	ZINC000331919676	234277193	/nfs/dbraw/zinc/27/71/93/234277193.db2.gz	CCUGZDXGLIOOTF-HNNXBMFYSA-N	0	3	323.396	2.983	20	30		DFEDHN
CC(C)C[C@H]1COCCN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000072978595	191264306	/nfs/dbraw/zinc/26/43/06/191264306.db2.gz	IIKYKPZVFIQURG-KRWDZBQOSA-N	0	3	315.417	2.634	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cn[nH]c1	ZINC000597730191	398687474	/nfs/dbraw/zinc/68/74/74/398687474.db2.gz	YTQCLNAFNRDVMG-WBVHZDCISA-N	0	3	308.385	2.846	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1	ZINC000590874320	398692535	/nfs/dbraw/zinc/69/25/35/398692535.db2.gz	NIMWILLMJMOKQG-CEXWTWQISA-N	0	3	319.408	2.888	20	30		DFEDHN
COc1ccc(C(=O)NCCN[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000173967984	198274511	/nfs/dbraw/zinc/27/45/11/198274511.db2.gz	MOHGCPVAPLHHOG-CQSZACIVSA-N	0	3	323.396	2.647	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc3c2ccn3C)CC1	ZINC000106035199	398694973	/nfs/dbraw/zinc/69/49/73/398694973.db2.gz	ORYDRKFJZYVQIM-UHFFFAOYSA-N	0	3	311.429	2.949	20	30		DFEDHN
C[C@H](CN1CCCCCC1)NC(=O)c1ncc(C#N)cc1Cl	ZINC000331972590	234337448	/nfs/dbraw/zinc/33/74/48/234337448.db2.gz	JXNFOQHYMDVVDH-GFCCVEGCSA-N	0	3	320.824	2.601	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)[C@H](C#N)CCc1ccccc1	ZINC000593881829	398699920	/nfs/dbraw/zinc/69/99/20/398699920.db2.gz	CYAMQGVOFJBILM-SFHVURJKSA-N	0	3	313.445	2.703	20	30		DFEDHN
COc1ccc(CNCCN2CCc3ccccc3C2)cc1C#N	ZINC000174255132	198311381	/nfs/dbraw/zinc/31/13/81/198311381.db2.gz	MXLUUQRWXZKUAF-UHFFFAOYSA-N	0	3	321.424	2.715	20	30		DFEDHN
CC(C)[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CCCCC1	ZINC000593890290	398701053	/nfs/dbraw/zinc/70/10/53/398701053.db2.gz	CXHMLZLTGRHTSU-GOSISDBHSA-N	0	3	311.429	2.911	20	30		DFEDHN
N#CC1(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1	ZINC000597828498	398702438	/nfs/dbraw/zinc/70/24/38/398702438.db2.gz	IXVUHJAUVBUXAL-HZPDHXFCSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1Cl	ZINC000174528831	198348187	/nfs/dbraw/zinc/34/81/87/198348187.db2.gz	OIHQXXGFCSIMNA-CQSZACIVSA-N	0	3	316.792	2.690	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000597860543	398706528	/nfs/dbraw/zinc/70/65/28/398706528.db2.gz	OHPYNWDTDBHBIJ-PBHICJAKSA-N	0	3	313.445	2.726	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)C(=O)CCCCC#N)c1	ZINC000593974377	398712609	/nfs/dbraw/zinc/71/26/09/398712609.db2.gz	APOQCXBEPIPULM-UHFFFAOYSA-N	0	3	301.434	2.969	20	30		DFEDHN
C[C@@H](CCC#N)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1	ZINC000591013318	398714859	/nfs/dbraw/zinc/71/48/59/398714859.db2.gz	FXUWESOAAQKLDU-DZGCQCFKSA-N	0	3	317.437	2.535	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1	ZINC000597904265	398717030	/nfs/dbraw/zinc/71/70/30/398717030.db2.gz	GIPPSNQSSBNADV-MRXNPFEDSA-N	0	3	311.429	2.587	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CC[C@@H](C4CCC4)C3)C2=O)cc1	ZINC000591062025	398720603	/nfs/dbraw/zinc/72/06/03/398720603.db2.gz	RXFKCPZMTWLRKK-AEFFLSMTSA-N	0	3	309.413	2.786	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C4CCC4)C3)C2=O)cc1	ZINC000591062026	398720220	/nfs/dbraw/zinc/72/02/20/398720220.db2.gz	RXFKCPZMTWLRKK-FUHWJXTLSA-N	0	3	309.413	2.786	20	30		DFEDHN
C[C@H](NCC#Cc1ccccc1)c1ccc2c(c1)CC(=O)N2C	ZINC000277046332	213259818	/nfs/dbraw/zinc/25/98/18/213259818.db2.gz	UJXHHWGWRAGTPV-HNNXBMFYSA-N	0	3	304.393	2.908	20	30		DFEDHN
CCN1CCN(C[C@H](C)CNc2c(Cl)cccc2C#N)CC1	ZINC000277031256	213251535	/nfs/dbraw/zinc/25/15/35/213251535.db2.gz	DYQLDGVPGDUQAB-CQSZACIVSA-N	0	3	320.868	2.897	20	30		DFEDHN
N#C[C@]1(F)CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1	ZINC000591076907	398722675	/nfs/dbraw/zinc/72/26/75/398722675.db2.gz	GERGAVCEAACVJT-GOSISDBHSA-N	0	3	315.392	2.750	20	30		DFEDHN
CCCCOC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033504	398726270	/nfs/dbraw/zinc/72/62/70/398726270.db2.gz	QLQNVDPFBPYJKA-KRWDZBQOSA-N	0	3	302.418	2.705	20	30		DFEDHN
CCCCN(C)CCNC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000074201742	398730301	/nfs/dbraw/zinc/73/03/01/398730301.db2.gz	MPXYWKJDJRNGOC-AWEZNQCLSA-N	0	3	302.422	2.650	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594044385	398730494	/nfs/dbraw/zinc/73/04/94/398730494.db2.gz	PIIUKUSHWNJIHO-MAUKXSAKSA-N	0	3	313.445	2.678	20	30		DFEDHN
N#CCCCCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000594050575	398732241	/nfs/dbraw/zinc/73/22/41/398732241.db2.gz	IHQOIRTVYCTROC-ZWKOTPCHSA-N	0	3	311.429	2.803	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(OC)c(C#N)c1)C(C)C	ZINC000594052728	398733183	/nfs/dbraw/zinc/73/31/83/398733183.db2.gz	JNEMEHFDUKTTBW-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C[C@H](CO)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000598019481	398738353	/nfs/dbraw/zinc/73/83/53/398738353.db2.gz	LZQQTXJULVUKCP-NJAFHUGGSA-N	0	3	314.429	2.768	20	30		DFEDHN
COC(=O)c1ccc(CN(C)CCOc2ccc(C#N)cc2)cc1	ZINC000073614973	191331910	/nfs/dbraw/zinc/33/19/10/191331910.db2.gz	PFMXNASTTLHTFD-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
N#CCc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1	ZINC000594115367	398747416	/nfs/dbraw/zinc/74/74/16/398747416.db2.gz	FLMOXKSYXVJPNI-IAGOWNOFSA-N	0	3	312.417	2.891	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CNC2	ZINC000591360275	398752769	/nfs/dbraw/zinc/75/27/69/398752769.db2.gz	GMHBRJMGYYFXCP-UHFFFAOYSA-N	0	3	320.396	2.503	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1CCCCCC1	ZINC000074582076	398754465	/nfs/dbraw/zinc/75/44/65/398754465.db2.gz	GBNVATMVLZERHL-ZDUSSCGKSA-N	0	3	303.381	2.578	20	30		DFEDHN
N#Cc1cncc(N[C@H](CN2CCCCC2)c2ccccc2)n1	ZINC000591459453	398763918	/nfs/dbraw/zinc/76/39/18/398763918.db2.gz	NVXKWNJRZSXHII-QGZVFWFLSA-N	0	3	307.401	2.987	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000594208416	398766617	/nfs/dbraw/zinc/76/66/17/398766617.db2.gz	DMUNRGQSOCYTJS-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000184277897	199697283	/nfs/dbraw/zinc/69/72/83/199697283.db2.gz	RYUVWEUNZGOLMJ-ZDUSSCGKSA-N	0	3	302.330	2.881	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1	ZINC000598205980	398768525	/nfs/dbraw/zinc/76/85/25/398768525.db2.gz	CUXQDRAPYRPTCF-WNRNVDISSA-N	0	3	307.397	2.793	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC[C@@H](C)C1	ZINC000594234225	398770645	/nfs/dbraw/zinc/77/06/45/398770645.db2.gz	JOUOZTURIMZGBF-HZPDHXFCSA-N	0	3	313.445	2.585	20	30		DFEDHN
Cc1ccc(-c2csc(NC(=O)[C@]3(C#N)CCNC3)n2)s1	ZINC000591590860	398774373	/nfs/dbraw/zinc/77/43/73/398774373.db2.gz	SXWHFBPMZVFXSH-AWEZNQCLSA-N	0	3	318.427	2.622	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1Cl	ZINC000591593498	398774512	/nfs/dbraw/zinc/77/45/12/398774512.db2.gz	CLYCUQTVXMCVLC-HNNXBMFYSA-N	0	3	307.781	2.571	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1	ZINC000598228284	398774969	/nfs/dbraw/zinc/77/49/69/398774969.db2.gz	GKCBCYQKVNCMAJ-ZWNOBZJWSA-N	0	3	323.190	2.509	20	30		DFEDHN
CC(C)N1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000074918607	398775066	/nfs/dbraw/zinc/77/50/66/398775066.db2.gz	DVHVVIXTBKTEIK-OAHLLOKOSA-N	0	3	314.433	2.745	20	30		DFEDHN
N#C[C@]1(C(=O)NCc2cccc(Oc3ccccc3)c2)CCNC1	ZINC000591598173	398775112	/nfs/dbraw/zinc/77/51/12/398775112.db2.gz	JXZVWJWCXQJRIA-LJQANCHMSA-N	0	3	321.380	2.598	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCNC1	ZINC000591602719	398775333	/nfs/dbraw/zinc/77/53/33/398775333.db2.gz	BCMNEMGMWBIHBZ-MRXNPFEDSA-N	0	3	312.398	2.615	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594249777	398774716	/nfs/dbraw/zinc/77/47/16/398774716.db2.gz	OJUJOQFOADIEOU-QAPCUYQASA-N	0	3	315.461	2.829	20	30		DFEDHN
CCN1CCC(n2nccc2NC(=O)CCCCC#N)CC1	ZINC000594264552	398777156	/nfs/dbraw/zinc/77/71/56/398777156.db2.gz	DPVNAWYFUOEMFT-UHFFFAOYSA-N	0	3	303.410	2.562	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)N[C@H]1CCCN3CCCC[C@@H]13)C2	ZINC000594282864	398778894	/nfs/dbraw/zinc/77/88/94/398778894.db2.gz	ANHDERDSWVIZFA-ROUUACIJSA-N	0	3	324.428	2.600	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000598260243	398779291	/nfs/dbraw/zinc/77/92/91/398779291.db2.gz	JJTDULXZIKFHFF-CYBMUJFWSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000594292645	398779796	/nfs/dbraw/zinc/77/97/96/398779796.db2.gz	LWUMSMIZMHKRIG-YJBOKZPZSA-N	0	3	313.445	2.537	20	30		DFEDHN
Cc1ccc(-c2cccc(CNC(=O)[C@@]3(C#N)CCNC3)c2)cc1	ZINC000591629850	398777998	/nfs/dbraw/zinc/77/79/98/398777998.db2.gz	MZROGUUBRUAHQR-HXUWFJFHSA-N	0	3	319.408	2.782	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCN2C(=O)C1CCN(C2CC2)CC1	ZINC000297847757	283192743	/nfs/dbraw/zinc/19/27/43/283192743.db2.gz	RWTGUKBTWCVFCW-UHFFFAOYSA-N	0	3	309.413	2.712	20	30		DFEDHN
CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1Br	ZINC000591850025	398794861	/nfs/dbraw/zinc/79/48/61/398794861.db2.gz	QJDAFHTZUWFQGT-CQSZACIVSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cccc(Br)c1	ZINC000594427009	398798835	/nfs/dbraw/zinc/79/88/35/398798835.db2.gz	SDQMZDKCNYZVQP-LBPRGKRZSA-N	0	3	310.195	2.799	20	30		DFEDHN
CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594427471	398798869	/nfs/dbraw/zinc/79/88/69/398798869.db2.gz	IXVBQVQLFLILIG-HIFRSBDPSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1	ZINC000594429328	398798919	/nfs/dbraw/zinc/79/89/19/398798919.db2.gz	STZYBHQEBCQJLM-SJORKVTESA-N	0	3	317.408	2.770	20	30		DFEDHN
CC(C)OCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594429274	398798946	/nfs/dbraw/zinc/79/89/46/398798946.db2.gz	RVCABLWTWJGBRP-MRXNPFEDSA-N	0	3	303.406	2.961	20	30		DFEDHN
CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H](C)C#N	ZINC000598356651	398799200	/nfs/dbraw/zinc/79/92/00/398799200.db2.gz	UBVYWNGMNYYREJ-GDBMZVCRSA-N	0	3	317.408	2.798	20	30		DFEDHN
C[C@H](NCc1cc(C#N)ccc1Br)[C@@H]1CCOC1	ZINC000276885009	213154961	/nfs/dbraw/zinc/15/49/61/213154961.db2.gz	JJTVCUQNGLMHDM-CMPLNLGQSA-N	0	3	309.207	2.835	20	30		DFEDHN
COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](N)CCCCC#N	ZINC000594430154	398799366	/nfs/dbraw/zinc/79/93/66/398799366.db2.gz	ZLSYRXSKYNSOCS-IRXDYDNUSA-N	0	3	315.417	2.600	20	30		DFEDHN
CCN1CCCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000276874544	213147024	/nfs/dbraw/zinc/14/70/24/213147024.db2.gz	HWPNOESPJVLANG-UHFFFAOYSA-N	0	3	322.250	2.848	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1	ZINC000594429562	398799611	/nfs/dbraw/zinc/79/96/11/398799611.db2.gz	UCYGNNQMYSXMAM-SJORKVTESA-N	0	3	301.434	2.954	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594431452	398799738	/nfs/dbraw/zinc/79/97/38/398799738.db2.gz	MZPZSXGSLCOTIZ-HZPDHXFCSA-N	0	3	317.433	2.598	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Sc1ccccc1	ZINC000594433294	398800603	/nfs/dbraw/zinc/80/06/03/398800603.db2.gz	NJLXWKQTTDEUPV-ZFWWWQNUSA-N	0	3	305.447	2.695	20	30		DFEDHN
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594433994	398801182	/nfs/dbraw/zinc/80/11/82/398801182.db2.gz	WCFGWAKBPPQERA-KBAYOESNSA-N	0	3	313.445	2.877	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2Cl)CC1	ZINC000594439019	398802195	/nfs/dbraw/zinc/80/21/95/398802195.db2.gz	ZBXWBQWAMPPTRK-HNNXBMFYSA-N	0	3	319.836	2.899	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2[nH]1	ZINC000594438618	398802087	/nfs/dbraw/zinc/80/20/87/398802087.db2.gz	OVIYMVSABDIPFN-STQMWFEESA-N	0	3	313.405	2.541	20	30		DFEDHN
Cc1cccnc1[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)C	ZINC000594438965	398802328	/nfs/dbraw/zinc/80/23/28/398802328.db2.gz	ROTASRZQFNVEBH-CABCVRRESA-N	0	3	302.422	2.615	20	30		DFEDHN
Cc1ccnc(-c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)n1	ZINC000594442137	398803303	/nfs/dbraw/zinc/80/33/03/398803303.db2.gz	BJOZDRVYJOWZNA-MRXNPFEDSA-N	0	3	323.400	2.802	20	30		DFEDHN
CC(C)(CCc1ccccc1)NC(=O)[C@H](N)CCCCC#N	ZINC000594440744	398803322	/nfs/dbraw/zinc/80/33/22/398803322.db2.gz	ZDVPYRRSMGCAJL-MRXNPFEDSA-N	0	3	301.434	2.925	20	30		DFEDHN
COc1cc(SC)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594443491	398804089	/nfs/dbraw/zinc/80/40/89/398804089.db2.gz	PJEYUAJWAWBEPX-LBPRGKRZSA-N	0	3	307.419	2.767	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc([N+](=O)[O-])c1	ZINC000594445532	398804742	/nfs/dbraw/zinc/80/47/42/398804742.db2.gz	HCCZVGBVJDKIKM-CABCVRRESA-N	0	3	318.377	2.573	20	30		DFEDHN
CSCc1cc(F)ccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594446118	398804947	/nfs/dbraw/zinc/80/49/47/398804947.db2.gz	PKPHEWHSBCIJRA-OAHLLOKOSA-N	0	3	323.437	2.716	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H](c2ncccc2C)C1	ZINC000281774867	334985542	/nfs/dbraw/zinc/98/55/42/334985542.db2.gz	WZAJJTSBXUCEPK-HZPDHXFCSA-N	0	3	322.474	2.607	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1nc(-c2ccccn2)cs1	ZINC000594445714	398804767	/nfs/dbraw/zinc/80/47/67/398804767.db2.gz	KNNCGKVKLPGJFV-LLVKDONJSA-N	0	3	315.402	2.555	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)CCOC)cc1	ZINC000281711703	334987381	/nfs/dbraw/zinc/98/73/81/334987381.db2.gz	TZSIHMBENKXYMF-ZFWWWQNUSA-N	0	3	313.825	2.866	20	30		DFEDHN
CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594496538	398810181	/nfs/dbraw/zinc/81/01/81/398810181.db2.gz	MYQVXXJOKVKLKO-UONOGXRCSA-N	0	3	301.434	2.881	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@@H](CO)CC(F)(F)F)cc1	ZINC000594505707	398812224	/nfs/dbraw/zinc/81/22/24/398812224.db2.gz	WMFQBCXLUBIAIT-CYBMUJFWSA-N	0	3	300.324	2.891	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCc3ccccc3NC2=O)ccc1C#N	ZINC000594508569	398812586	/nfs/dbraw/zinc/81/25/86/398812586.db2.gz	DDJJBDXXSCBGEN-GOSISDBHSA-N	0	3	305.381	2.910	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1	ZINC000075652271	398815249	/nfs/dbraw/zinc/81/52/49/398815249.db2.gz	OOVIRAOWQCEZCI-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1	ZINC000179843208	199087503	/nfs/dbraw/zinc/08/75/03/199087503.db2.gz	UCWHTHPZEUFCSK-GFCCVEGCSA-N	0	3	312.373	2.513	20	30		DFEDHN
N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1	ZINC000594596706	398826940	/nfs/dbraw/zinc/82/69/40/398826940.db2.gz	BGFZUIHTVSFARW-HIFRSBDPSA-N	0	3	300.362	2.895	20	30		DFEDHN
CCc1nnc(N2CCN(C(C)(C)CC)CC2)c(C#N)c1CC	ZINC000594595169	398827164	/nfs/dbraw/zinc/82/71/64/398827164.db2.gz	UVUWOTFUMUWJHK-UHFFFAOYSA-N	0	3	315.465	2.784	20	30		DFEDHN
N#Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-]	ZINC000594603884	398829860	/nfs/dbraw/zinc/82/98/60/398829860.db2.gz	WHXYGORVXHIVRJ-GOEBONIOSA-N	0	3	300.362	2.895	20	30		DFEDHN
CO[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000179939720	199097436	/nfs/dbraw/zinc/09/74/36/199097436.db2.gz	QFYASCHVTCDVEN-QGZVFWFLSA-N	0	3	310.401	2.570	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)[C@H](CCO)c1ccccc1	ZINC000075900074	398828662	/nfs/dbraw/zinc/82/86/62/398828662.db2.gz	ZMJMBRGYSIJJBU-LJQANCHMSA-N	0	3	310.397	2.993	20	30		DFEDHN
COc1ccc(C#N)cc1NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000594606806	398830832	/nfs/dbraw/zinc/83/08/32/398830832.db2.gz	SLUOIHWPPCXBEK-INIZCTEOSA-N	0	3	315.417	2.622	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN(CC1CCCCC1)C1CC1)C1CC1	ZINC000052244899	398836952	/nfs/dbraw/zinc/83/69/52/398836952.db2.gz	XPARPURTDFWLNA-GOSISDBHSA-N	0	3	303.450	2.840	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598599535	398839369	/nfs/dbraw/zinc/83/93/69/398839369.db2.gz	BZKXQPUSTXGVKX-JSGCOSHPSA-N	0	3	306.406	2.655	20	30		DFEDHN
COc1cc(F)c([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602418	398839842	/nfs/dbraw/zinc/83/98/42/398839842.db2.gz	NRDRAXALEGQYJU-RYUDHWBXSA-N	0	3	324.396	2.794	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000598601286	398839015	/nfs/dbraw/zinc/83/90/15/398839015.db2.gz	SHTVNTODLALDSI-INIZCTEOSA-N	0	3	317.389	2.860	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](c1cccs1)C1(CO)CCC1	ZINC000598619506	398842920	/nfs/dbraw/zinc/84/29/20/398842920.db2.gz	DNLWZAZIDGGHSE-HIFRSBDPSA-N	0	3	322.474	2.842	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c(C)c1OC	ZINC000598615406	398841567	/nfs/dbraw/zinc/84/15/67/398841567.db2.gz	AJCAEPWQGZXTFW-UONOGXRCSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccc1)C(C)(C)CO	ZINC000598615130	398841591	/nfs/dbraw/zinc/84/15/91/398841591.db2.gz	USKYYCUSDUNRGN-CVEARBPZSA-N	0	3	304.434	2.637	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccccc1OC(F)(F)F	ZINC000598699136	398857267	/nfs/dbraw/zinc/85/72/67/398857267.db2.gz	BNMRBFHCLUPAPM-LBPRGKRZSA-N	0	3	316.323	2.976	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cccc(OC2CC2)c1F	ZINC000598705440	398858902	/nfs/dbraw/zinc/85/89/02/398858902.db2.gz	JNORGDLGAUBKCL-ZDUSSCGKSA-N	0	3	306.381	2.757	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)cc2c1OCC2	ZINC000598725063	398861952	/nfs/dbraw/zinc/86/19/52/398861952.db2.gz	UTGUMNQUMDWKET-CQSZACIVSA-N	0	3	308.809	2.665	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@H](C)NC[C@H](O)CC(C)(C)C#N	ZINC000598723510	398862136	/nfs/dbraw/zinc/86/21/36/398862136.db2.gz	IVVOWLRERKNNST-ZENOOKHLSA-N	0	3	308.397	2.792	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2cc(F)c(F)c(F)c21	ZINC000598726805	398862931	/nfs/dbraw/zinc/86/29/31/398862931.db2.gz	BZYRSLRFSHXOIO-ZYHUDNBSSA-N	0	3	312.335	2.982	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)c2ccc(OC)cc2)CC1	ZINC000180479321	199163874	/nfs/dbraw/zinc/16/38/74/199163874.db2.gz	RXVKYZKCFPFHDB-GOSISDBHSA-N	0	3	316.445	2.955	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cccc(Br)c1	ZINC000598715982	398860532	/nfs/dbraw/zinc/86/05/32/398860532.db2.gz	WWSVIYMCSJGDQG-ZDUSSCGKSA-N	0	3	311.223	2.839	20	30		DFEDHN
COC[C@@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000598784681	398873676	/nfs/dbraw/zinc/87/36/76/398873676.db2.gz	WUCLSSOJCRXPKB-HZPDHXFCSA-N	0	3	317.433	2.563	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)cn2)CC1	ZINC000180717037	199201058	/nfs/dbraw/zinc/20/10/58/199201058.db2.gz	HBICVKBFYNMNAB-UHFFFAOYSA-N	0	3	322.840	2.575	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)cc1	ZINC000594947258	398879016	/nfs/dbraw/zinc/87/90/16/398879016.db2.gz	ABRSDWYMFSUENG-MOPGFXCFSA-N	0	3	322.412	2.785	20	30		DFEDHN
CNC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1	ZINC000594970021	398883890	/nfs/dbraw/zinc/88/38/90/398883890.db2.gz	XYUMIEPQBQBVSV-UHFFFAOYSA-N	0	3	307.397	2.943	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)s1	ZINC000077211328	398888395	/nfs/dbraw/zinc/88/83/95/398888395.db2.gz	CWOJQIPOTZGJDQ-OAHLLOKOSA-N	0	3	316.426	2.800	20	30		DFEDHN
C=CCCSCCN[C@@H](C)CS(=O)(=O)c1ccccc1	ZINC000595059886	398899752	/nfs/dbraw/zinc/89/97/52/398899752.db2.gz	QZRAXLSGWVXSHK-AWEZNQCLSA-N	0	3	313.488	2.748	20	30		DFEDHN
N#CC1CCC(CNCc2cn(-c3ccc(F)cc3)nn2)CC1	ZINC000598978140	398901962	/nfs/dbraw/zinc/90/19/62/398901962.db2.gz	BFAHYPDIHHVMCD-UHFFFAOYSA-N	0	3	313.380	2.826	20	30		DFEDHN
C#CCOc1ccc(CNC[C@](C)(O)c2ccsc2)cc1	ZINC000077460314	398904430	/nfs/dbraw/zinc/90/44/30/398904430.db2.gz	JROAYJDZHLAUDY-KRWDZBQOSA-N	0	3	301.411	2.757	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@](C)(O)c1ccsc1	ZINC000077460717	398904886	/nfs/dbraw/zinc/90/48/86/398904886.db2.gz	ICDJONGHWGAXTB-KRWDZBQOSA-N	0	3	301.411	2.757	20	30		DFEDHN
CN1c2ccc(CNCc3cccc(C#N)c3)cc2CCC1=O	ZINC000187117989	200064396	/nfs/dbraw/zinc/06/43/96/200064396.db2.gz	HKRQCNHPBQVZTJ-UHFFFAOYSA-N	0	3	305.381	2.757	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1	ZINC000599020912	398908665	/nfs/dbraw/zinc/90/86/65/398908665.db2.gz	VSKACNBMNBCHTJ-KRWDZBQOSA-N	0	3	311.429	2.731	20	30		DFEDHN
Cc1cc(CNCC[C@@H](O)COCc2ccccc2)ccc1C#N	ZINC000599023019	398909291	/nfs/dbraw/zinc/90/92/91/398909291.db2.gz	PTJJSJPHMGEESH-HXUWFJFHSA-N	0	3	324.424	2.924	20	30		DFEDHN
N#CC1(CNC(=O)Nc2cccc3c2CCNC3)CCCCC1	ZINC000595233223	398911795	/nfs/dbraw/zinc/91/17/95/398911795.db2.gz	ZCWZNGYAQRPTOR-UHFFFAOYSA-N	0	3	312.417	2.928	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000595256026	398913509	/nfs/dbraw/zinc/91/35/09/398913509.db2.gz	JQZSAIWDRNDRPI-GFCCVEGCSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1	ZINC000595259135	398913574	/nfs/dbraw/zinc/91/35/74/398913574.db2.gz	HXMDRXIMKWACSG-UONOGXRCSA-N	0	3	323.343	2.823	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1F)CC1CC1	ZINC000595259047	398913611	/nfs/dbraw/zinc/91/36/11/398913611.db2.gz	XQPJXZDTPASLPI-KRWDZBQOSA-N	0	3	317.408	2.976	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1	ZINC000599053371	398913749	/nfs/dbraw/zinc/91/37/49/398913749.db2.gz	GRZCAZBWFZXSDO-ZWKOTPCHSA-N	0	3	314.429	2.950	20	30		DFEDHN
CCO[C@H]1C[C@H](O)C12CCN([C@@H](C)c1cccc(C#N)c1)CC2	ZINC000187700168	200146708	/nfs/dbraw/zinc/14/67/08/200146708.db2.gz	ACTWXTFGLIFAMR-WBAXXEDZSA-N	0	3	314.429	2.871	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@](C)(C#N)C2)cc1	ZINC000595266514	398914775	/nfs/dbraw/zinc/91/47/75/398914775.db2.gz	ADRPSNVCCLEKTA-SJLPKXTDSA-N	0	3	314.433	2.755	20	30		DFEDHN
Cn1c2cc(CN[C@@H]3CCc4ccc(C#N)cc43)ccc2oc1=O	ZINC000599083953	398918642	/nfs/dbraw/zinc/91/86/42/398918642.db2.gz	PGZJAZLJYJWVKU-MRXNPFEDSA-N	0	3	319.364	2.780	20	30		DFEDHN
N#Cc1ccc(CCN2CCNC(=O)C[C@H]2c2ccccc2)cc1	ZINC000595301616	398919841	/nfs/dbraw/zinc/91/98/41/398919841.db2.gz	LYPPGVTWZNNWQD-IBGZPJMESA-N	0	3	319.408	2.664	20	30		DFEDHN
CC[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000188884253	200316778	/nfs/dbraw/zinc/31/67/78/200316778.db2.gz	VTCXFIVSIOMYJB-OAHLLOKOSA-N	0	3	301.434	2.885	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CC2(CO)CC2)ccc1OC	ZINC000188959924	200328242	/nfs/dbraw/zinc/32/82/42/200328242.db2.gz	XXZQGEFKUFJMHA-UHFFFAOYSA-N	0	3	305.418	2.854	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC([C@H]3CCCO3)CC2)cc1	ZINC000189230150	200367171	/nfs/dbraw/zinc/36/71/71/200367171.db2.gz	PMRMOIABSKOSBV-GOSISDBHSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)c1	ZINC000599163048	398931660	/nfs/dbraw/zinc/93/16/60/398931660.db2.gz	AIAROTZOGQMWRX-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-]	ZINC000599165723	398932368	/nfs/dbraw/zinc/93/23/68/398932368.db2.gz	RLCQYOBFKQIOAA-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
CS[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@@H]1N1CCCC1	ZINC000595434095	398937530	/nfs/dbraw/zinc/93/75/30/398937530.db2.gz	XVNAWKLSVLSEGH-IXDOHACOSA-N	0	3	301.459	2.763	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C	ZINC000595448659	398940694	/nfs/dbraw/zinc/94/06/94/398940694.db2.gz	LXAAPQGJMYZJID-HUUCEWRRSA-N	0	3	313.511	2.858	20	30		DFEDHN
C[C@@H](c1cccs1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599263121	398944162	/nfs/dbraw/zinc/94/41/62/398944162.db2.gz	CMULEWCDHXMPJM-KBPBESRZSA-N	0	3	308.447	2.812	20	30		DFEDHN
CCN(CC)C(=O)c1ccc(CNCc2cc(C#N)n(C)c2)cc1	ZINC000190736016	200580163	/nfs/dbraw/zinc/58/01/63/200580163.db2.gz	MSDPNLIWJDESGT-UHFFFAOYSA-N	0	3	324.428	2.669	20	30		DFEDHN
COCCN(C[C@@H](O)CC1(C#N)CC1)[C@@H](C)c1ccccc1	ZINC000599272306	398946062	/nfs/dbraw/zinc/94/60/62/398946062.db2.gz	RRFKJEVBQDPLKM-RDJZCZTQSA-N	0	3	302.418	2.751	20	30		DFEDHN
COC(=O)C[C@](C)(NCCc1ccc(C#N)cc1)c1ccncc1	ZINC000595484882	398947724	/nfs/dbraw/zinc/94/77/24/398947724.db2.gz	SSGKMTNCXGQTDR-IBGZPJMESA-N	0	3	323.396	2.564	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCC[C@H]1Sc2ccccc2NC1=O	ZINC000595481938	398947748	/nfs/dbraw/zinc/94/77/48/398947748.db2.gz	LJLYIHJVGHVJCQ-SLEUVZQESA-N	0	3	301.415	2.771	20	30		DFEDHN
C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC[C@@H](C)C1	ZINC000595504943	398952589	/nfs/dbraw/zinc/95/25/89/398952589.db2.gz	KWYKBXIVJFWLPM-HZPDHXFCSA-N	0	3	320.481	2.880	20	30		DFEDHN
CCn1cnnc1[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599332342	398955418	/nfs/dbraw/zinc/95/54/18/398955418.db2.gz	TVYDJMHMROVXHR-INIZCTEOSA-N	0	3	309.417	2.858	20	30		DFEDHN
N#Cc1ccc(C2=CCN(CCOC3CCOCC3)CC2)cc1	ZINC000599341396	398957020	/nfs/dbraw/zinc/95/70/20/398957020.db2.gz	JOMMFAOSRIXSJQ-UHFFFAOYSA-N	0	3	312.413	2.843	20	30		DFEDHN
N#Cc1ccc(CCN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000595535406	398958088	/nfs/dbraw/zinc/95/80/88/398958088.db2.gz	ZJGPFHVZPIXCCA-WOJBJXKFSA-N	0	3	324.399	2.901	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CNC1(c2ccccc2)CC1	ZINC000599350737	398958957	/nfs/dbraw/zinc/95/89/57/398958957.db2.gz	YYSYMRMNQUQQRX-QGZVFWFLSA-N	0	3	308.381	2.577	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000158820994	398960811	/nfs/dbraw/zinc/96/08/11/398960811.db2.gz	WTWSTUVOEMVGFP-HIFRSBDPSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)c1c[nH]cn1)C(C)C	ZINC000621534791	398966503	/nfs/dbraw/zinc/96/65/03/398966503.db2.gz	ODPCGVPGSFRJDY-HNNXBMFYSA-N	0	3	318.465	2.502	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Br)cn1	ZINC000599390093	398971047	/nfs/dbraw/zinc/97/10/47/398971047.db2.gz	DTCYEVXVHIHEJG-PWSUYJOCSA-N	0	3	324.222	2.549	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccncc1	ZINC000056499820	398974443	/nfs/dbraw/zinc/97/44/43/398974443.db2.gz	CACRXGKVDOMFBM-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
COC[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000599422750	398976974	/nfs/dbraw/zinc/97/69/74/398976974.db2.gz	WTJGPWDCPNIOLM-CABCVRRESA-N	0	3	308.809	2.672	20	30		DFEDHN
CC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000163091538	398985101	/nfs/dbraw/zinc/98/51/01/398985101.db2.gz	LGGJCTWEROBTIN-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599454874	398986510	/nfs/dbraw/zinc/98/65/10/398986510.db2.gz	XMOYGLCWZIURML-RHSMWYFYSA-N	0	3	320.408	2.938	20	30		DFEDHN
Cc1cc(OC[C@H](O)CN(C)Cc2ccccc2)ccc1C#N	ZINC000618060337	398991832	/nfs/dbraw/zinc/99/18/32/398991832.db2.gz	LPNXDDQVSQYECK-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000271854086	209270262	/nfs/dbraw/zinc/27/02/62/209270262.db2.gz	XHRPRKNGGWALCH-RHSMWYFYSA-N	0	3	302.418	2.791	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1C	ZINC000595609990	398996988	/nfs/dbraw/zinc/99/69/88/398996988.db2.gz	RINYMILMOMNAFZ-MSOLQXFVSA-N	0	3	316.445	2.977	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2)C1	ZINC000595609727	398997498	/nfs/dbraw/zinc/99/74/98/398997498.db2.gz	OHHOUTVBBHNMAW-HIFRSBDPSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)C2CCC2)c(Br)c1	ZINC000595614426	399001742	/nfs/dbraw/zinc/00/17/42/399001742.db2.gz	CAHKZEWJGTXNJW-AWEZNQCLSA-N	0	3	309.207	2.571	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1	ZINC000595616604	399002225	/nfs/dbraw/zinc/00/22/25/399002225.db2.gz	UZXVXAGNLBTBQM-AWEZNQCLSA-N	0	3	317.458	2.649	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1	ZINC000599529230	399003526	/nfs/dbraw/zinc/00/35/26/399003526.db2.gz	KLPPBIPIHVFNRT-GFCCVEGCSA-N	0	3	304.346	2.779	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1N[C@H]1CCC[C@@H](C#N)C1	ZINC000600205006	399004582	/nfs/dbraw/zinc/00/45/82/399004582.db2.gz	UNLIERKUMBUOGR-JYYAWHABSA-N	0	3	302.422	2.966	20	30		DFEDHN
N#CC[C@H]1CCCN(C/C=C/CN2CCC[C@@H](CC#N)C2)C1	ZINC000595620780	399005895	/nfs/dbraw/zinc/00/58/95/399005895.db2.gz	QSJKQLDZWMWVSF-KVHJKKSTSA-N	0	3	300.450	2.794	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CCCC(F)(F)CC2)cc1	ZINC000599550802	399012214	/nfs/dbraw/zinc/01/22/14/399012214.db2.gz	BMCZTSWUWFHUHA-HNNXBMFYSA-N	0	3	324.371	2.614	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1	ZINC000275503927	212377420	/nfs/dbraw/zinc/37/74/20/212377420.db2.gz	RIHSJIOFVSXUMM-KRWDZBQOSA-N	0	3	313.445	2.877	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCc2ccccc2C(C)(C)C1	ZINC000595631959	399011961	/nfs/dbraw/zinc/01/19/61/399011961.db2.gz	MRNXQCIQTDESFQ-UHFFFAOYSA-N	0	3	313.445	2.584	20	30		DFEDHN
CC(C)(NC[C@@H](O)COCc1ccco1)c1cccc(C#N)c1	ZINC000595635384	399012030	/nfs/dbraw/zinc/01/20/30/399012030.db2.gz	JSMDJAGRHGDDRQ-MRXNPFEDSA-N	0	3	314.385	2.554	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(F)cc1)c1cccc(C#N)c1	ZINC000271805430	209232303	/nfs/dbraw/zinc/23/23/03/209232303.db2.gz	LDAIKAMPBCPHKI-GUYCJALGSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCCC2(CCCC2)CC1)C1CC1	ZINC000595643281	399016126	/nfs/dbraw/zinc/01/61/26/399016126.db2.gz	WWZGHJAGRROPJY-QGZVFWFLSA-N	0	3	303.450	2.841	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000599571953	399017888	/nfs/dbraw/zinc/01/78/88/399017888.db2.gz	YCAPOTLXCHAQFH-UHFFFAOYSA-N	0	3	313.445	2.532	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccsc1	ZINC000079251071	399028475	/nfs/dbraw/zinc/02/84/75/399028475.db2.gz	KSQAPLJLNJGOGC-UKRRQHHQSA-N	0	3	322.478	2.932	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1	ZINC000091960604	193132932	/nfs/dbraw/zinc/13/29/32/193132932.db2.gz	PSDDHFYTUDVNMH-LPHOPBHVSA-N	0	3	309.413	2.978	20	30		DFEDHN
CC(C)[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1F	ZINC000595692697	399038320	/nfs/dbraw/zinc/03/83/20/399038320.db2.gz	QJJLPWMYXUBFBG-QGZVFWFLSA-N	0	3	305.397	2.875	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000079495769	399049725	/nfs/dbraw/zinc/04/97/25/399049725.db2.gz	PECSITHQQUAEMS-YOEHRIQHSA-N	0	3	316.449	2.895	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1	ZINC000171442116	399051926	/nfs/dbraw/zinc/05/19/26/399051926.db2.gz	COWRVVTUWNNKMX-MRXNPFEDSA-N	0	3	300.402	2.562	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1	ZINC000079557192	399058650	/nfs/dbraw/zinc/05/86/50/399058650.db2.gz	OFWUSOCCWILERH-RDJZCZTQSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1cncs1)C(C)C	ZINC000282478623	334996296	/nfs/dbraw/zinc/99/62/96/334996296.db2.gz	SMETWYONDXIUNX-WAVCKPEOSA-N	0	3	319.474	2.971	20	30		DFEDHN
C=CCC[C@@H](C(=O)N[C@H]1CCN(CCOC)C1)c1ccccc1	ZINC000275245616	212221496	/nfs/dbraw/zinc/22/14/96/212221496.db2.gz	GTMSTCAXZMDRHW-ZWKOTPCHSA-N	0	3	316.445	2.573	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@@H]2NCc2cccc(C#N)c2F)cn1	ZINC000595773971	399080435	/nfs/dbraw/zinc/08/04/35/399080435.db2.gz	YQQORLSKKDMVET-PBHICJAKSA-N	0	3	312.392	2.932	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000261706587	203098400	/nfs/dbraw/zinc/09/84/00/203098400.db2.gz	KCRDJGMRXGSHIA-ZWKOTPCHSA-N	0	3	322.408	2.818	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@@H](C3CCC3)C2)c1	ZINC000595831531	399104420	/nfs/dbraw/zinc/10/44/20/399104420.db2.gz	FBYXZKBRPQRHDE-GOSISDBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](Cc1ccccc1C)C1CC1	ZINC000284511059	335013422	/nfs/dbraw/zinc/01/34/22/335013422.db2.gz	WBWZGXMLOXTQLI-KRWDZBQOSA-N	0	3	307.459	2.507	20	30		DFEDHN
N#Cc1cnc(N[C@H](CN2CCCCC2)c2ccccc2)cn1	ZINC000613881320	399107250	/nfs/dbraw/zinc/10/72/50/399107250.db2.gz	VXNNNRQWNVZREG-QGZVFWFLSA-N	0	3	307.401	2.987	20	30		DFEDHN
C=CCc1cc(CN2CCC(COC)CC2)cc(OC)c1O	ZINC000093103570	193203867	/nfs/dbraw/zinc/20/38/67/193203867.db2.gz	OHJGLXRRBOGNEZ-UHFFFAOYSA-N	0	3	305.418	2.988	20	30		DFEDHN
N#CC1(CCCN[C@H](CO)c2ccc(F)cc2F)CCOCC1	ZINC000595868811	399118087	/nfs/dbraw/zinc/11/80/87/399118087.db2.gz	ZXQMZYANYJRWDG-MRXNPFEDSA-N	0	3	324.371	2.688	20	30		DFEDHN
CCOCCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000093317057	193230255	/nfs/dbraw/zinc/23/02/55/193230255.db2.gz	PWXNKCNTLAUNOH-UHFFFAOYSA-N	0	3	309.797	2.509	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccc(Cl)cc2)CCOCC1	ZINC000600713403	399121920	/nfs/dbraw/zinc/12/19/20/399121920.db2.gz	IKMZOKSPCOFDPL-HNNXBMFYSA-N	0	3	308.809	2.501	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cccnc2OC2CCCC2)CC1	ZINC000600715273	399121955	/nfs/dbraw/zinc/12/19/55/399121955.db2.gz	AZAWMUYTSUCMJZ-HNNXBMFYSA-N	0	3	315.417	2.547	20	30		DFEDHN
CCCC(=O)Nc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1	ZINC000600716323	399122019	/nfs/dbraw/zinc/12/20/19/399122019.db2.gz	JVVJYUXDFLYKLY-INIZCTEOSA-N	0	3	315.417	2.570	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)CC1(C#N)CC1	ZINC000600725165	399125395	/nfs/dbraw/zinc/12/53/95/399125395.db2.gz	XDHQVIYGTSZSAZ-HOCLYGCPSA-N	0	3	300.402	2.717	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2OC2CCC2)CC1	ZINC000600727621	399126372	/nfs/dbraw/zinc/12/63/72/399126372.db2.gz	YMGQZQMSMOWSRT-HNNXBMFYSA-N	0	3	300.402	2.762	20	30		DFEDHN
CCOc1cc(Cl)ccc1CNC[C@H](O)CC1(C#N)CC1	ZINC000600727756	399126235	/nfs/dbraw/zinc/12/62/35/399126235.db2.gz	MFJMLWVPUCEAQV-CQSZACIVSA-N	0	3	308.809	2.883	20	30		DFEDHN
CO[C@H](CNC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000600730918	399127474	/nfs/dbraw/zinc/12/74/74/399127474.db2.gz	SVZONDGKXLRDHJ-LSDHHAIUSA-N	0	3	308.809	2.672	20	30		DFEDHN
N#Cc1ccc(CCN2CCNC[C@H]2c2cccc(F)c2)cc1	ZINC000595895762	399126896	/nfs/dbraw/zinc/12/68/96/399126896.db2.gz	UXDDIXNRBOCVAN-IBGZPJMESA-N	0	3	309.388	2.886	20	30		DFEDHN
CC[C@H](CC(F)(F)F)NC[C@@H](O)COc1ccccc1C#N	ZINC000600736134	399130114	/nfs/dbraw/zinc/13/01/14/399130114.db2.gz	QVPZEIIYPPHIAL-CHWSQXEVSA-N	0	3	316.323	2.619	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccnn2[C@H](C)C2CC2)CC1	ZINC000274973253	212052175	/nfs/dbraw/zinc/05/21/75/212052175.db2.gz	WOTHILGBQKOSGO-CYBMUJFWSA-N	0	3	317.437	2.626	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1	ZINC000060669515	399141177	/nfs/dbraw/zinc/14/11/77/399141177.db2.gz	HUCDQIDSDXRARC-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc2c(c1)CCCO2	ZINC000595992108	399144937	/nfs/dbraw/zinc/14/49/37/399144937.db2.gz	OAJBAGDASDCDOJ-CZUORRHYSA-N	0	3	315.417	2.600	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1	ZINC000182597985	399145336	/nfs/dbraw/zinc/14/53/36/399145336.db2.gz	YBMMACOHPHSZLC-RISCZKNCSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000134880460	335014456	/nfs/dbraw/zinc/01/44/56/335014456.db2.gz	WVKCXBLNRRIWLK-JFIYKMOQSA-N	0	3	316.445	2.747	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](Cc1ccccc1)c1cccs1	ZINC000184971392	399159019	/nfs/dbraw/zinc/15/90/19/399159019.db2.gz	IPMZAWADADXIBL-HNNXBMFYSA-N	0	3	300.427	2.924	20	30		DFEDHN
CC(C)(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000061567680	399159466	/nfs/dbraw/zinc/15/94/66/399159466.db2.gz	YSIZZUPOTXIDAG-UHFFFAOYSA-N	0	3	305.447	2.626	20	30		DFEDHN
CCN(CC)[C@@H](CNc1c(C#N)cnn1C)c1ccsc1	ZINC000596074027	399163600	/nfs/dbraw/zinc/16/36/00/399163600.db2.gz	OILKQBHHBCLRMZ-AWEZNQCLSA-N	0	3	303.435	2.848	20	30		DFEDHN
C#CC[C@@H](NC[C@H](O)COCc1cccs1)c1ccccc1	ZINC000271734799	209167132	/nfs/dbraw/zinc/16/71/32/209167132.db2.gz	TUJHWPCJPSJIOL-FUHWJXTLSA-N	0	3	315.438	2.980	20	30		DFEDHN
CC(C)(CNC(=O)N[C@@H]1CCCC[C@@H]1C#N)N1CCCCC1	ZINC000596091668	399169679	/nfs/dbraw/zinc/16/96/79/399169679.db2.gz	BUIOJOGIEPDNEE-HUUCEWRRSA-N	0	3	306.454	2.632	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000596088638	399168876	/nfs/dbraw/zinc/16/88/76/399168876.db2.gz	MRPKECOBJWUQAE-DOTOQJQBSA-N	0	3	314.433	2.625	20	30		DFEDHN
CC[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000271724557	209157390	/nfs/dbraw/zinc/15/73/90/209157390.db2.gz	XJUYCDGZXWGWRI-SFHVURJKSA-N	0	3	307.397	2.915	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000596093474	399170887	/nfs/dbraw/zinc/17/08/87/399170887.db2.gz	URSXNWJBPKOKHW-MRXNPFEDSA-N	0	3	309.417	2.616	20	30		DFEDHN
Cn1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1C#N	ZINC000282693528	217181247	/nfs/dbraw/zinc/18/12/47/217181247.db2.gz	JCBOBOSCRMDUJE-INIZCTEOSA-N	0	3	323.444	2.809	20	30		DFEDHN
C=CCN1CCC(Nc2cc(N3CCC[C@@H](C)C3)ncn2)CC1	ZINC000266190866	205170449	/nfs/dbraw/zinc/17/04/49/205170449.db2.gz	BXGOHFSOTQTPPB-OAHLLOKOSA-N	0	3	315.465	2.775	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)CCN1C	ZINC000266208000	205183148	/nfs/dbraw/zinc/18/31/48/205183148.db2.gz	FNIGJPUIVXLZOB-JQWIXIFHSA-N	0	3	312.339	2.891	20	30		DFEDHN
C=CCOCCCC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000266266443	205224784	/nfs/dbraw/zinc/22/47/84/205224784.db2.gz	PFOOQIGHMSPEHC-UHFFFAOYSA-N	0	3	316.445	2.704	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1	ZINC000266460451	205362366	/nfs/dbraw/zinc/36/23/66/205362366.db2.gz	SLYIJZNMZMCTBY-HOCLYGCPSA-N	0	3	315.417	2.645	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CC2(CC2)C1	ZINC000601027312	399205534	/nfs/dbraw/zinc/20/55/34/399205534.db2.gz	WFYQBSPSUMOFSL-OAHLLOKOSA-N	0	3	303.450	2.841	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1	ZINC000081127219	399213263	/nfs/dbraw/zinc/21/32/63/399213263.db2.gz	UZGMCTZFPCJDBD-IBGZPJMESA-N	0	3	319.408	2.905	20	30		DFEDHN
C#CC(C)(C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285607863	335023621	/nfs/dbraw/zinc/02/36/21/335023621.db2.gz	PXCJPNMVPOOJDP-OAHLLOKOSA-N	0	3	320.383	2.672	20	30		DFEDHN
C=CCCCC(=O)N(C)C1CCN(CCc2ccccn2)CC1	ZINC000267353061	206005597	/nfs/dbraw/zinc/00/55/97/206005597.db2.gz	VFURBKVJFDZXIB-UHFFFAOYSA-N	0	3	315.461	2.903	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000618767531	399232322	/nfs/dbraw/zinc/23/23/22/399232322.db2.gz	LUTLJQIASZXLPT-DLBZAZTESA-N	0	3	300.402	2.533	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000618767532	399232726	/nfs/dbraw/zinc/23/27/26/399232726.db2.gz	LUTLJQIASZXLPT-IAGOWNOFSA-N	0	3	300.402	2.533	20	30		DFEDHN
Cc1cc(C#N)cc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000601129405	399235650	/nfs/dbraw/zinc/23/56/50/399235650.db2.gz	HTQZRMTYBMOVJH-UHFFFAOYSA-N	0	3	319.412	2.702	20	30		DFEDHN
N#Cc1ccnc(N2CCN([C@@H]3CCc4ccccc43)CC2)c1	ZINC000614476243	399238264	/nfs/dbraw/zinc/23/82/64/399238264.db2.gz	BCRHHTAXJYIWPG-GOSISDBHSA-N	0	3	304.397	2.763	20	30		DFEDHN
C=C(C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000285468662	335026537	/nfs/dbraw/zinc/02/65/37/335026537.db2.gz	QCZJLLWCNFFNLB-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1	ZINC000192177905	335027089	/nfs/dbraw/zinc/02/70/89/335027089.db2.gz	COZVKVVEXDCABC-KRWDZBQOSA-N	0	3	314.429	2.931	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)NCC#Cc2ccccc2)cc1	ZINC000192190969	335027465	/nfs/dbraw/zinc/02/74/65/335027465.db2.gz	PTXRIMMKBXBFFM-INIZCTEOSA-N	0	3	323.392	2.941	20	30		DFEDHN
C=CCOCCCC(=O)N(CCN(C)C)Cc1cccs1	ZINC000267756975	206261428	/nfs/dbraw/zinc/26/14/28/206261428.db2.gz	RUFSZTZUMXQMTJ-UHFFFAOYSA-N	0	3	310.463	2.621	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1	ZINC000601239525	399262403	/nfs/dbraw/zinc/26/24/03/399262403.db2.gz	MJFJELCIRFTCOV-GDBMZVCRSA-N	0	3	300.406	2.904	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H]2c2cccc(F)c2)CC1	ZINC000608438161	399263953	/nfs/dbraw/zinc/26/39/53/399263953.db2.gz	AEKZLBDUMNMGTR-KRWDZBQOSA-N	0	3	317.408	2.933	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000601256579	399264996	/nfs/dbraw/zinc/26/49/96/399264996.db2.gz	TVUSRGCNFFZFQP-QGZVFWFLSA-N	0	3	323.440	2.803	20	30		DFEDHN
CC[C@@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)cc1	ZINC000601296071	399272708	/nfs/dbraw/zinc/27/27/08/399272708.db2.gz	OJNBLKHQGHUSAI-MRXNPFEDSA-N	0	3	318.417	2.957	20	30		DFEDHN
N#Cc1cccc(N2CCN([C@H]3CCc4ccccc43)CC2)n1	ZINC000614963839	399285839	/nfs/dbraw/zinc/28/58/39/399285839.db2.gz	LNYIGZCEHJONCF-SFHVURJKSA-N	0	3	304.397	2.763	20	30		DFEDHN
N#Cc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)ccn1	ZINC000619054877	399285961	/nfs/dbraw/zinc/28/59/61/399285961.db2.gz	VJJYGZUBBVKKKT-UHFFFAOYSA-N	0	3	321.428	2.866	20	30		DFEDHN
N#Cc1cccnc1OC1CCC(NCc2nccs2)CC1	ZINC000614993356	399288812	/nfs/dbraw/zinc/28/88/12/399288812.db2.gz	JYWKGPVTDMNPKF-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(SC)CC2)CC1	ZINC000601570193	399302022	/nfs/dbraw/zinc/30/20/22/399302022.db2.gz	FNILHQNRBMUIMT-UHFFFAOYSA-N	0	3	311.495	2.564	20	30		DFEDHN
N#Cc1ccc(OCCN2CCc3ccc(O)cc3CC2)cc1	ZINC000608866600	399299827	/nfs/dbraw/zinc/29/98/27/399299827.db2.gz	CQRCDFQLRBPBRX-UHFFFAOYSA-N	0	3	308.381	2.743	20	30		DFEDHN
Cc1nccn1[C@H]1CCCN(CCOc2cccc(C#N)c2)C1	ZINC000609260615	399311574	/nfs/dbraw/zinc/31/15/74/399311574.db2.gz	ZIFLEWWNHAOKMX-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#CCN1CCC(NCc2csc(-c3ccccc3)n2)CC1	ZINC000609335066	399314254	/nfs/dbraw/zinc/31/42/54/399314254.db2.gz	SDVFAJKTMBVPQM-UHFFFAOYSA-N	0	3	312.442	2.888	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(C#N)cc1Cl	ZINC000615231886	399315188	/nfs/dbraw/zinc/31/51/88/399315188.db2.gz	JULPFXYDCUYQJS-WMLDXEAASA-N	0	3	319.836	2.948	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2Cl)[C@@H](C)C1	ZINC000615231846	399315312	/nfs/dbraw/zinc/31/53/12/399315312.db2.gz	GXJYZDJWXVIFFG-MEDUHNTESA-N	0	3	305.809	2.558	20	30		DFEDHN
C[C@@H](C#N)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	ZINC000609413105	399317827	/nfs/dbraw/zinc/31/78/27/399317827.db2.gz	HHYOHDBWOXNUGY-GJZGRUSLSA-N	0	3	315.417	2.582	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCC[C@H]1O	ZINC000601717066	399327715	/nfs/dbraw/zinc/32/77/15/399327715.db2.gz	YSTAUYXIWRWMMG-BRWVUGGUSA-N	0	3	300.402	2.521	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Cl)o2)cc1	ZINC000619356588	399332845	/nfs/dbraw/zinc/33/28/45/399332845.db2.gz	RVHOZKQSQWBZRS-ZDUSSCGKSA-N	0	3	313.744	2.803	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)C1CC1	ZINC000274118365	211372269	/nfs/dbraw/zinc/37/22/69/211372269.db2.gz	MMOXDGKQDLDTLP-INIZCTEOSA-N	0	3	319.474	2.938	20	30		DFEDHN
Cc1ccncc1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619384950	399336315	/nfs/dbraw/zinc/33/63/15/399336315.db2.gz	HJEFZBOZAUWPOT-PBHICJAKSA-N	0	3	318.380	2.821	20	30		DFEDHN
COc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1C#N	ZINC000284391880	218008629	/nfs/dbraw/zinc/00/86/29/218008629.db2.gz	AEJDVLDBBUENBD-FUHWJXTLSA-N	0	3	309.369	2.582	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1	ZINC000601849967	399349810	/nfs/dbraw/zinc/34/98/10/399349810.db2.gz	AHJCXBPUDDGRON-MRXNPFEDSA-N	0	3	322.412	2.508	20	30		DFEDHN
CCN1CCO[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000619508565	399355142	/nfs/dbraw/zinc/35/51/42/399355142.db2.gz	LQLKNUQTOJRMEC-MJGOQNOKSA-N	0	3	313.445	2.636	20	30		DFEDHN
CCNC(=O)C[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1	ZINC000284890992	218224335	/nfs/dbraw/zinc/22/43/35/218224335.db2.gz	UHCSQHMCZWTNCH-OAHLLOKOSA-N	0	3	303.381	2.578	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@]2(CCN(C)C2)C1	ZINC000615625029	399365381	/nfs/dbraw/zinc/36/53/81/399365381.db2.gz	XEGHQTOPEQDMNC-LJQANCHMSA-N	0	3	314.429	2.809	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1	ZINC000615625028	399365489	/nfs/dbraw/zinc/36/54/89/399365489.db2.gz	XEGHQTOPEQDMNC-IBGZPJMESA-N	0	3	314.429	2.809	20	30		DFEDHN
N#CCc1cccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c1	ZINC000601962798	399370266	/nfs/dbraw/zinc/37/02/66/399370266.db2.gz	AVQOFIAGCPEXIJ-HXUWFJFHSA-N	0	3	321.424	2.802	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000601965549	399370527	/nfs/dbraw/zinc/37/05/27/399370527.db2.gz	OUSFSQYCZWUXTL-GFCCVEGCSA-N	0	3	303.189	2.626	20	30		DFEDHN
Cc1cnn([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)c1	ZINC000105899408	194164888	/nfs/dbraw/zinc/16/48/88/194164888.db2.gz	ULDZUCRXJFYUTP-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
C=CCc1cc(CN(C)CCc2cnccn2)cc(OC)c1O	ZINC000273785132	211057303	/nfs/dbraw/zinc/05/73/03/211057303.db2.gz	UGWAGGRIUPOKHI-UHFFFAOYSA-N	0	3	313.401	2.594	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)Cc1ccc(C#N)cc1	ZINC000610577981	399382832	/nfs/dbraw/zinc/38/28/32/399382832.db2.gz	JFNNVKPOLJRBJJ-ROUUACIJSA-N	0	3	311.429	2.576	20	30		DFEDHN
C[C@H](NCc1ccnc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000615795598	399384302	/nfs/dbraw/zinc/38/43/02/399384302.db2.gz	UBPHKXVOGATVFZ-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(SC)cc2OC)CC1	ZINC000193244026	335044435	/nfs/dbraw/zinc/04/44/35/335044435.db2.gz	ZYIHLMAYMYIMNK-UHFFFAOYSA-N	0	3	318.442	2.701	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000426124817	269688037	/nfs/dbraw/zinc/68/80/37/269688037.db2.gz	WCVXWZOXGCNENV-UHFFFAOYSA-N	0	3	306.797	2.771	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](C)CC(=O)N(CC)CC	ZINC000268872455	207041036	/nfs/dbraw/zinc/04/10/36/207041036.db2.gz	GKQREXWYIKJXRH-OAHLLOKOSA-N	0	3	304.434	2.988	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(F)cc(Br)cc2C1	ZINC000610728099	399398992	/nfs/dbraw/zinc/39/89/92/399398992.db2.gz	VXVWQNHQRFTDLS-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
Cc1ccnc(NCc2ccc(OCCN(C)C)cc2)c1C#N	ZINC000273307496	210674990	/nfs/dbraw/zinc/67/49/90/210674990.db2.gz	HZOUQQOOBRBCTP-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
N#CCN1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1	ZINC000610812704	399408481	/nfs/dbraw/zinc/40/84/81/399408481.db2.gz	JWXQZGJEKGJDFA-INIZCTEOSA-N	0	3	303.381	2.617	20	30		DFEDHN
C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-n2cnnn2)cc1	ZINC000610830381	399410582	/nfs/dbraw/zinc/41/05/82/399410582.db2.gz	OVALQDGAECMRQB-ZIAGYGMSSA-N	0	3	318.384	2.946	20	30		DFEDHN
N#CCN1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1	ZINC000610946896	399420286	/nfs/dbraw/zinc/42/02/86/399420286.db2.gz	XIXRGOIHWQULTG-UHFFFAOYSA-N	0	3	315.314	2.922	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)c(F)c1	ZINC000610967262	399422685	/nfs/dbraw/zinc/42/26/85/399422685.db2.gz	IXCGKJBMLQQACJ-KRWDZBQOSA-N	0	3	315.392	2.721	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](c3cnn(C)c3)C2)cc1C#N	ZINC000610992256	399425774	/nfs/dbraw/zinc/42/57/74/399425774.db2.gz	OPIVUWADXHONAA-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#CCN1CCC(NCc2ccc(-c3ccncc3)cc2F)CC1	ZINC000611038807	399430009	/nfs/dbraw/zinc/43/00/09/399430009.db2.gz	SCIGVWQVPAWGDP-UHFFFAOYSA-N	0	3	324.403	2.965	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000620207950	399460216	/nfs/dbraw/zinc/46/02/16/399460216.db2.gz	QQZGYAHJALHRBG-WBVHZDCISA-N	0	3	302.418	2.531	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2c(c1)OCO2	ZINC000602506424	399463360	/nfs/dbraw/zinc/46/33/60/399463360.db2.gz	VCECJKJFXZGWMY-ZDUSSCGKSA-N	0	3	302.374	2.604	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2CCN(C)[C@H](C)[C@@H]2C)c1C#N	ZINC000611349370	399465103	/nfs/dbraw/zinc/46/51/03/399465103.db2.gz	FVFQMTWRYAUSNX-CVEARBPZSA-N	0	3	323.444	2.577	20	30		DFEDHN
CC(C)CN(Cc1ccccc1F)C(=O)[C@H](N)CCCC#N	ZINC000602526905	399467815	/nfs/dbraw/zinc/46/78/15/399467815.db2.gz	GUCYHSDXGQIXCH-MRXNPFEDSA-N	0	3	305.397	2.831	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CC(F)F	ZINC000602526729	399468129	/nfs/dbraw/zinc/46/81/29/399468129.db2.gz	FSABJBRNPMAWHA-CQSZACIVSA-N	0	3	309.360	2.525	20	30		DFEDHN
C[C@H](NC[C@@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000611388729	399468471	/nfs/dbraw/zinc/46/84/71/399468471.db2.gz	SCOJRRGXNBNNPY-HNAYVOBHSA-N	0	3	310.397	2.787	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21	ZINC000602533262	399469411	/nfs/dbraw/zinc/46/94/11/399469411.db2.gz	MBXQZXTUQYZROS-FXUDXRNXSA-N	0	3	317.820	2.506	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12	ZINC000602533258	399469461	/nfs/dbraw/zinc/46/94/61/399469461.db2.gz	MBXQZXTUQYZROS-CAOSSQGBSA-N	0	3	317.820	2.506	20	30		DFEDHN
C[C@H](CO[C@H]1CCOC1)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000611393949	399469534	/nfs/dbraw/zinc/46/95/34/399469534.db2.gz	VBZRIIYFMWMTBF-RPVQJOFSSA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@H](CCC#N)CNCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000602536262	399469960	/nfs/dbraw/zinc/46/99/60/399469960.db2.gz	SMNPXKHBDPYWOT-GFCCVEGCSA-N	0	3	314.838	2.643	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1c(Cl)oc2ccccc21	ZINC000602537211	399469964	/nfs/dbraw/zinc/46/99/64/399469964.db2.gz	ATLYVVFDNZRWDX-LBPRGKRZSA-N	0	3	305.765	2.724	20	30		DFEDHN
CC1([C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)OCCO1	ZINC000183854679	335046881	/nfs/dbraw/zinc/04/68/81/335046881.db2.gz	GSYYEAVYVWEPTM-INIZCTEOSA-N	0	3	303.377	2.652	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1	ZINC000611438615	399476942	/nfs/dbraw/zinc/47/69/42/399476942.db2.gz	JLNGJCSHGRTXGY-KDOFPFPSSA-N	0	3	311.429	3.000	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(c3c(F)cccc3F)C2)n1	ZINC000602574609	399480277	/nfs/dbraw/zinc/48/02/77/399480277.db2.gz	XKGYSEPQHGIYOS-AWEZNQCLSA-N	0	3	314.339	2.600	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(CC1CC1)c1cccc(F)c1	ZINC000602576490	399480737	/nfs/dbraw/zinc/48/07/37/399480737.db2.gz	CLVJTYDJYWWYGZ-INIZCTEOSA-N	0	3	303.381	2.980	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1ncccc1Cl	ZINC000602572213	399479625	/nfs/dbraw/zinc/47/96/25/399479625.db2.gz	ZLBUOZHOSBMFNL-ZDUSSCGKSA-N	0	3	323.824	2.802	20	30		DFEDHN
COc1ccc([C@H](OC)[C@H](C)NCc2cccc(C#N)n2)cc1	ZINC000602582667	399482292	/nfs/dbraw/zinc/48/22/92/399482292.db2.gz	MYHHLJQDHPJMTE-SCLBCKFNSA-N	0	3	311.385	2.828	20	30		DFEDHN
N#Cc1c2c(sc1NC(=O)CCN1CC=CCC1)CCC2	ZINC000611517624	399486439	/nfs/dbraw/zinc/48/64/39/399486439.db2.gz	YPGZGDZIEIMWTA-UHFFFAOYSA-N	0	3	301.415	2.699	20	30		DFEDHN
CC(C)[C@@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000602596909	399486665	/nfs/dbraw/zinc/48/66/65/399486665.db2.gz	GHCQXYOGDXMZGS-FUHWJXTLSA-N	0	3	301.434	2.781	20	30		DFEDHN
CNC(=O)c1ccc([C@@H]2CCCCN2C[C@H](C)CCC#N)n1C	ZINC000602623486	399493240	/nfs/dbraw/zinc/49/32/40/399493240.db2.gz	GYNQYJUCANCCQE-ZBFHGGJFSA-N	0	3	316.449	2.852	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCC[C@H](OC(F)F)C1	ZINC000611576468	399495886	/nfs/dbraw/zinc/49/58/86/399495886.db2.gz	AUJIHDZJMXWUKJ-ZDUSSCGKSA-N	0	3	323.343	2.590	20	30		DFEDHN
C[C@@H](O)[C@](C)(CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602632391	399497368	/nfs/dbraw/zinc/49/73/68/399497368.db2.gz	SVVGBGLCFKAKGM-BEFAXECRSA-N	0	3	309.413	2.673	20	30		DFEDHN
CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)[C@H](C)C1	ZINC000611587818	399497662	/nfs/dbraw/zinc/49/76/62/399497662.db2.gz	SXAXKDIHAZDDJP-QFSBIZTOSA-N	0	3	303.381	2.605	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F	ZINC000611587544	399497785	/nfs/dbraw/zinc/49/77/85/399497785.db2.gz	HPDFEBAIPSFRGV-PNPHSEOMSA-N	0	3	317.408	2.995	20	30		DFEDHN
CCOC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)[nH]1	ZINC000602641572	399500228	/nfs/dbraw/zinc/50/02/28/399500228.db2.gz	SWLPPVDKOCLHQW-MRXNPFEDSA-N	0	3	309.369	2.840	20	30		DFEDHN
CC[C@](C)(CN(CCN(C)C)Cc1ccc(C#N)cc1)OC	ZINC000602659253	399505251	/nfs/dbraw/zinc/50/52/51/399505251.db2.gz	KRGPAJJGSAOYFD-GOSISDBHSA-N	0	3	303.450	2.737	20	30		DFEDHN
N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1	ZINC000602660488	399507417	/nfs/dbraw/zinc/50/74/17/399507417.db2.gz	DJZYIKFRPCQTLA-HSALFYBXSA-N	0	3	319.408	2.958	20	30		DFEDHN
COC(=O)c1ccc(CNC[C@H](C)CCC#N)nc1C1CC1	ZINC000602664463	399509770	/nfs/dbraw/zinc/50/97/70/399509770.db2.gz	DUWFXNDZGMZKBB-GFCCVEGCSA-N	0	3	301.390	2.775	20	30		DFEDHN
C=C(CNC(=O)N1CCCN(C(C)C)CC1)c1ccccc1	ZINC000287783066	335048124	/nfs/dbraw/zinc/04/81/24/335048124.db2.gz	AQLJWHAXTOSRJU-UHFFFAOYSA-N	0	3	301.434	2.826	20	30		DFEDHN
Cn1ncc(C(=O)OC(C)(C)C)c1CN[C@H]1CC[C@@H](CC#N)C1	ZINC000602680705	399517979	/nfs/dbraw/zinc/51/79/79/399517979.db2.gz	RNZJAXMBUXBMNB-STQMWFEESA-N	0	3	318.421	2.547	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(CCN(C)C)c1ccccc1)OCC	ZINC000270014979	208069500	/nfs/dbraw/zinc/06/95/00/208069500.db2.gz	CTRVVBODNKQNMX-KRWDZBQOSA-N	0	3	304.434	2.953	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(CCN(C)C)c1ccccc1)OCC	ZINC000270014982	208070005	/nfs/dbraw/zinc/07/00/05/208070005.db2.gz	CTRVVBODNKQNMX-QGZVFWFLSA-N	0	3	304.434	2.953	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)Cc1cccc(C#N)n1	ZINC000602688735	399522205	/nfs/dbraw/zinc/52/22/05/399522205.db2.gz	YQSZVFLZOWECEP-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
COC(=O)CCCN1CCC(Nc2cc(F)cc(C#N)c2)CC1	ZINC000602723263	399540216	/nfs/dbraw/zinc/54/02/16/399540216.db2.gz	FBWDQUPQBGXSKP-UHFFFAOYSA-N	0	3	319.380	2.527	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1ccccc1	ZINC000270323238	208394257	/nfs/dbraw/zinc/39/42/57/208394257.db2.gz	KZPWRAHSHTUNFI-BPQIPLTHSA-N	0	3	313.445	2.733	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C	ZINC000288433377	335052409	/nfs/dbraw/zinc/05/24/09/335052409.db2.gz	OLUHITBYPMFWDG-HZPDHXFCSA-N	0	3	314.429	2.950	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H]2CCCN(CC3(CC#N)CC3)C2)nc1	ZINC000602792496	399575886	/nfs/dbraw/zinc/57/58/86/399575886.db2.gz	ADKPROZKTYMJPC-HNNXBMFYSA-N	0	3	312.417	2.734	20	30		DFEDHN
Cc1cccc(NC(=O)[C@@H]2CCCN(CC3(CC#N)CC3)C2)n1	ZINC000602790195	399574234	/nfs/dbraw/zinc/57/42/34/399574234.db2.gz	CDNPTLPILSOLIL-OAHLLOKOSA-N	0	3	312.417	2.734	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C	ZINC000288433376	335052861	/nfs/dbraw/zinc/05/28/61/335052861.db2.gz	OLUHITBYPMFWDG-HOTGVXAUSA-N	0	3	314.429	2.950	20	30		DFEDHN
N#CCC1(CN[C@H](CO)c2ccc(Br)cc2)CC1	ZINC000602806289	399582244	/nfs/dbraw/zinc/58/22/44/399582244.db2.gz	MWYFFFCWIQJSJT-CYBMUJFWSA-N	0	3	309.207	2.766	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnn(C2CC2)c1)C(C)C	ZINC000625556311	399585421	/nfs/dbraw/zinc/58/54/21/399585421.db2.gz	GPHLAUFYMTWMKS-QGZVFWFLSA-N	0	3	316.449	2.646	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(-c3ncco3)cc2)CC1	ZINC000156876370	197147218	/nfs/dbraw/zinc/14/72/18/197147218.db2.gz	RJUJFOSYOZVBML-UHFFFAOYSA-N	0	3	309.369	2.625	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000617059925	399593442	/nfs/dbraw/zinc/59/34/42/399593442.db2.gz	GWUIQSCHZYGHBZ-INIZCTEOSA-N	0	3	322.493	2.916	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000288133336	335053108	/nfs/dbraw/zinc/05/31/08/335053108.db2.gz	IRQDLBYSHUEOOJ-FUHWJXTLSA-N	0	3	316.445	2.748	20	30		DFEDHN
CC#CCCN1CCC(C(=O)NCCc2cccs2)CC1	ZINC000156601767	197126756	/nfs/dbraw/zinc/12/67/56/197126756.db2.gz	LMVXOFGSVZIFPX-UHFFFAOYSA-N	0	3	304.459	2.532	20	30		DFEDHN
CCO[C@H]1C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156495671	197117670	/nfs/dbraw/zinc/11/76/70/197117670.db2.gz	KONHNGDVCYZTBU-BBWFWOEESA-N	0	3	302.418	2.727	20	30		DFEDHN
C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1n1ccnc1	ZINC000156442940	197113287	/nfs/dbraw/zinc/11/32/87/197113287.db2.gz	YLWJBFCTVPFFPZ-QAPCUYQASA-N	0	3	310.401	2.717	20	30		DFEDHN
C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000155245918	197036181	/nfs/dbraw/zinc/03/61/81/197036181.db2.gz	MAIQQAJTBRJFSZ-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@@H]1CN(CCCOCCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602854538	399603958	/nfs/dbraw/zinc/60/39/58/399603958.db2.gz	CNRNAQNNCHWKDJ-HDICACEKSA-N	0	3	315.461	2.554	20	30		DFEDHN
C[C@@H]1CN(CCCOc2ccc(F)cc2)C[C@@H](C)N1CC#N	ZINC000602857199	399604499	/nfs/dbraw/zinc/60/44/99/399604499.db2.gz	PIQNDGZFVJZULA-HUUCEWRRSA-N	0	3	305.397	2.513	20	30		DFEDHN
Cc1cc(C)cc(OCCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602855332	399604933	/nfs/dbraw/zinc/60/49/33/399604933.db2.gz	GUDPCONQLJXHFQ-ROUUACIJSA-N	0	3	315.461	2.991	20	30		DFEDHN
Cc1ccc(C)c(OCCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1	ZINC000602857914	399605146	/nfs/dbraw/zinc/60/51/46/399605146.db2.gz	WVWNANSXEGTSHE-QZTJIDSGSA-N	0	3	315.461	2.991	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C(C)(C)C	ZINC000602873305	399611073	/nfs/dbraw/zinc/61/10/73/399611073.db2.gz	IUZIJKLBJFQRJO-QGZVFWFLSA-N	0	3	301.434	2.599	20	30		DFEDHN
CN1CCN(CCOc2cccc(C#N)c2)C[C@H]1C(C)(C)C	ZINC000602874967	399611580	/nfs/dbraw/zinc/61/15/80/399611580.db2.gz	WPJIVEGPFPDGAE-KRWDZBQOSA-N	0	3	301.434	2.599	20	30		DFEDHN
C[C@H](Nc1ncc(Br)cc1C#N)C1=CCN(C)CC1	ZINC000294823927	224246829	/nfs/dbraw/zinc/24/68/29/224246829.db2.gz	AAUNLNVWSQHYRQ-JTQLQIEISA-N	0	3	321.222	2.778	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602881332	399613907	/nfs/dbraw/zinc/61/39/07/399613907.db2.gz	HHKOLZMYDZUKFA-HOTGVXAUSA-N	0	3	324.428	2.720	20	30		DFEDHN
C[C@@H](CCC#N)N1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000602887259	399615860	/nfs/dbraw/zinc/61/58/60/399615860.db2.gz	NVCOVZKKCMPYEF-WCQYABFASA-N	0	3	324.222	2.989	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCCCOc2ccccc2F)C1	ZINC000625702336	399616792	/nfs/dbraw/zinc/61/67/92/399616792.db2.gz	XMWHMSBKXFQYDU-HNNXBMFYSA-N	0	3	320.408	2.609	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)C1	ZINC000625702211	399616830	/nfs/dbraw/zinc/61/68/30/399616830.db2.gz	FKBNGXMTRLIDOH-HNNXBMFYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1	ZINC000625703255	399618188	/nfs/dbraw/zinc/61/81/88/399618188.db2.gz	JONVJWHWAIEKBX-STQMWFEESA-N	0	3	304.356	2.685	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1	ZINC000625705771	399618365	/nfs/dbraw/zinc/61/83/65/399618365.db2.gz	YYAABZQQBZOMGN-HNNXBMFYSA-N	0	3	323.440	2.951	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1	ZINC000625704085	399619117	/nfs/dbraw/zinc/61/91/17/399619117.db2.gz	NOMKSNITLKXBKC-GFCCVEGCSA-N	0	3	303.793	2.746	20	30		DFEDHN
C#C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)(C)C	ZINC000288645003	335054449	/nfs/dbraw/zinc/05/44/49/335054449.db2.gz	QOGKESPNOUZTIN-MRXNPFEDSA-N	0	3	301.434	2.595	20	30		DFEDHN
C=CCCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000288506298	335055786	/nfs/dbraw/zinc/05/57/86/335055786.db2.gz	OOFKFUYNCDXWEI-MRXNPFEDSA-N	0	3	305.422	2.563	20	30		DFEDHN
CC(C)CC[C@@H](O)CN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602907038	399622306	/nfs/dbraw/zinc/62/23/06/399622306.db2.gz	KWQFBFHHCFORTK-QGZVFWFLSA-N	0	3	301.434	2.930	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN(CC3(CC#N)CC3)CC2)o1	ZINC000602912797	399624568	/nfs/dbraw/zinc/62/45/68/399624568.db2.gz	KALMCNITDFYDHJ-UHFFFAOYSA-N	0	3	315.417	2.785	20	30		DFEDHN
CC(C)(C#N)CCCCN1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602923388	399627900	/nfs/dbraw/zinc/62/79/00/399627900.db2.gz	IGRSGULROPRSLG-IAGOWNOFSA-N	0	3	302.418	2.831	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ocnc1C1CC1)C(C)C	ZINC000289053793	335059564	/nfs/dbraw/zinc/05/95/64/335059564.db2.gz	BOWPSKHKVYJKEJ-HNNXBMFYSA-N	0	3	317.433	2.980	20	30		DFEDHN
COC[C@@]1(C(=O)OC(C)(C)C)CCN(CCC(C)(C)C#N)C1	ZINC000602959833	399640658	/nfs/dbraw/zinc/64/06/58/399640658.db2.gz	AOCKKIUSBZIMRJ-QGZVFWFLSA-N	0	3	310.438	2.606	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@@]1(C)C1CCCCC1)C1CC1	ZINC000603029156	399661701	/nfs/dbraw/zinc/66/17/01/399661701.db2.gz	KEOUUCYRUHEWEU-ROUUACIJSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000603067155	399670215	/nfs/dbraw/zinc/67/02/15/399670215.db2.gz	SPONLYXAGCQLBZ-OAHLLOKOSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)C1	ZINC000625897502	399679260	/nfs/dbraw/zinc/67/92/60/399679260.db2.gz	FXEPGJGIQIGZAE-ZDUSSCGKSA-N	0	3	301.390	2.599	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1	ZINC000625900163	399680267	/nfs/dbraw/zinc/68/02/67/399680267.db2.gz	MBKKQEPMDHHMSJ-YOEHRIQHSA-N	0	3	315.417	2.777	20	30		DFEDHN
N#CCC1(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1	ZINC000603142511	399693903	/nfs/dbraw/zinc/69/39/03/399693903.db2.gz	DHIPWEFLCQOTAY-ZIAGYGMSSA-N	0	3	312.335	2.804	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000603079223	399674809	/nfs/dbraw/zinc/67/48/09/399674809.db2.gz	SPJJYJDVYAGDLR-MRXNPFEDSA-N	0	3	316.380	2.789	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000617352920	399675526	/nfs/dbraw/zinc/67/55/26/399675526.db2.gz	AJLYIHCJZKKGJS-AWEZNQCLSA-N	0	3	302.418	2.854	20	30		DFEDHN
C=C1CC(C)(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1	ZINC000632634748	399704149	/nfs/dbraw/zinc/70/41/49/399704149.db2.gz	SDCNPEZRMDGRJL-QGZVFWFLSA-N	0	3	313.445	2.718	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H](CCO)C2)cc(OC)c1O	ZINC000093106263	542551633	/nfs/dbraw/zinc/55/16/33/542551633.db2.gz	RPJHWRSWJSPOQG-AWEZNQCLSA-N	0	3	305.418	2.724	20	30		DFEDHN
CN(C)C(=O)C1(NCc2ccc(F)c(C#N)c2)CCCCC1	ZINC000295100100	224437615	/nfs/dbraw/zinc/43/76/15/224437615.db2.gz	GYHKIMVQRQXYRT-UHFFFAOYSA-N	0	3	303.381	2.578	20	30		DFEDHN
N#Cc1c(NCCCN2CCC(O)CC2)cccc1-n1cccc1	ZINC000603275470	399729549	/nfs/dbraw/zinc/72/95/49/399729549.db2.gz	GTZNCMBFALCBOU-UHFFFAOYSA-N	0	3	324.428	2.608	20	30		DFEDHN
CCN1CCC[C@@H](Nc2ccc(C#N)cc2COCCOC)C1	ZINC000603277951	399729571	/nfs/dbraw/zinc/72/95/71/399729571.db2.gz	NTRBXTCNQFEFEO-QGZVFWFLSA-N	0	3	317.433	2.617	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@H](CNc2ccccn2)C1	ZINC000121017837	195280431	/nfs/dbraw/zinc/28/04/31/195280431.db2.gz	VQXAMZALOXJZEK-INIZCTEOSA-N	0	3	322.412	2.896	20	30		DFEDHN
Cc1cccc(CN2CCC(Nc3cnc(C#N)cn3)CC2)c1	ZINC000121608813	195315833	/nfs/dbraw/zinc/31/58/33/195315833.db2.gz	IVDTYLHDYPTJAA-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C	ZINC000128142674	195939919	/nfs/dbraw/zinc/93/99/19/195939919.db2.gz	GEAYJJYIHPUBQI-CPUCHLNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@H](C)COC	ZINC000617576894	399745836	/nfs/dbraw/zinc/74/58/36/399745836.db2.gz	BXQPISPLXQBZJA-MRXNPFEDSA-N	0	3	316.445	2.946	20	30		DFEDHN
C[C@@H](Nc1cc(C#N)c(Br)cn1)C1=CCN(C)CC1	ZINC000603332243	399746467	/nfs/dbraw/zinc/74/64/67/399746467.db2.gz	LFCIJAVOITWQLE-SNVBAGLBSA-N	0	3	321.222	2.778	20	30		DFEDHN
CCN1CCCN(c2cc(C#N)c(Br)cn2)[C@H](C)C1	ZINC000603400883	399766029	/nfs/dbraw/zinc/76/60/29/399766029.db2.gz	KZRJPJZIYPWHJH-LLVKDONJSA-N	0	3	323.238	2.636	20	30		DFEDHN
N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1CSCCN1	ZINC000603418272	399771972	/nfs/dbraw/zinc/77/19/72/399771972.db2.gz	FHTQIXNXQOTMPL-NSHDSACASA-N	0	3	318.833	2.877	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2ccc(F)cc2C(N)=O)CC1	ZINC000621383266	399779260	/nfs/dbraw/zinc/77/92/60/399779260.db2.gz	YOTTWYBMXSCSQU-CQSZACIVSA-N	0	3	319.424	2.791	20	30		DFEDHN
C#Cc1ccc(CNCCc2nc(C(=O)OCC)cs2)cc1	ZINC000289764737	335065157	/nfs/dbraw/zinc/06/51/57/335065157.db2.gz	QMSONESCCCGJHA-UHFFFAOYSA-N	0	3	314.410	2.633	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)Cc1ccc(F)cc1Br	ZINC000289738752	335066390	/nfs/dbraw/zinc/06/63/90/335066390.db2.gz	GRRYHEBHWNJPCH-CABZTGNLSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000289857758	335066458	/nfs/dbraw/zinc/06/64/58/335066458.db2.gz	QURXDCJANBAVIY-WDEREUQCSA-N	0	3	316.323	2.559	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000613145093	399803649	/nfs/dbraw/zinc/80/36/49/399803649.db2.gz	UVWUHRDTWCKXPX-ZIAGYGMSSA-N	0	3	316.405	2.571	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccn(C)c1C)C(C)C	ZINC000195259869	542864667	/nfs/dbraw/zinc/86/46/67/542864667.db2.gz	BXBDOILHIWZNSA-KRWDZBQOSA-N	0	3	303.450	2.762	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000617914353	399830705	/nfs/dbraw/zinc/83/07/05/399830705.db2.gz	UPDMFWWCPOTXAK-SJORKVTESA-N	0	3	322.412	2.888	20	30		DFEDHN
C=CCOCCNCc1ccc(OC)c(Br)c1	ZINC000310225203	543066624	/nfs/dbraw/zinc/06/66/24/543066624.db2.gz	NAINXHLQCCNSPN-UHFFFAOYSA-N	0	3	300.196	2.750	20	30		DFEDHN
N#CC1(C(=O)NCC2(N3CCCC3)CCOCC2)CCCC1	ZINC000329082159	543099847	/nfs/dbraw/zinc/09/98/47/543099847.db2.gz	DNBDOWOLOJYELF-UHFFFAOYSA-N	0	3	305.422	2.672	20	30		DFEDHN
CC(=O)NC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1	ZINC000329278196	543102322	/nfs/dbraw/zinc/10/23/22/543102322.db2.gz	JPIFFBKZLRPIHQ-MRXNPFEDSA-N	0	3	321.465	2.753	20	30		DFEDHN
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000329494434	543104646	/nfs/dbraw/zinc/10/46/46/543104646.db2.gz	DFARFBBBGIJRAZ-IIAWOOMASA-N	0	3	323.481	2.568	20	30		DFEDHN
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CC2)C1	ZINC000329494731	543104690	/nfs/dbraw/zinc/10/46/90/543104690.db2.gz	DFARFBBBGIJRAZ-IJEWVQPXSA-N	0	3	323.481	2.568	20	30		DFEDHN
Cn1cc([C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)cn1	ZINC000604556554	399855531	/nfs/dbraw/zinc/85/55/31/399855531.db2.gz	FUKIFEZSRTWQLB-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
Cn1cc([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)cn1	ZINC000604557455	399855248	/nfs/dbraw/zinc/85/52/48/399855248.db2.gz	OAUWWOGXOSDKSW-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)N1CCN(c2ccncc2)CC1	ZINC000633422968	399901981	/nfs/dbraw/zinc/90/19/81/399901981.db2.gz	OXXJPYSOTGZCGE-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc(OC)c1O	ZINC000628460921	400033519	/nfs/dbraw/zinc/03/35/19/400033519.db2.gz	ARQIFUFTPHPPRC-QFBILLFUSA-N	0	3	317.429	2.724	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000628544244	400039576	/nfs/dbraw/zinc/03/95/76/400039576.db2.gz	SQELFFPTQQTLCE-WMZOPIPTSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCOc1c(Cl)cc(CNC2([C@@H](C)O)CC2)cc1OC	ZINC000628351653	400024947	/nfs/dbraw/zinc/02/49/47/400024947.db2.gz	LLHVCFGXLKGEMD-LLVKDONJSA-N	0	3	311.809	2.916	20	30		DFEDHN
CC1CCC(N2CCN(Cc3cc(C#N)n(C)c3)CC2)CC1	ZINC000191359990	145887987	/nfs/dbraw/zinc/88/79/87/145887987.db2.gz	UUFNLGLIVKFJCO-UHFFFAOYSA-N	0	3	300.450	2.593	20	30		DFEDHN
CCOC(=O)c1ccc(C#N)c(SCCN(CC)CC)n1	ZINC000357744877	148105319	/nfs/dbraw/zinc/10/53/19/148105319.db2.gz	OBCGIRIHGJUWIJ-UHFFFAOYSA-N	0	3	307.419	2.564	20	30		DFEDHN
C[C@@H](Cc1ccccc1)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000361164177	149043722	/nfs/dbraw/zinc/04/37/22/149043722.db2.gz	DRTTYAIRDHLCCP-KRWDZBQOSA-N	0	3	320.440	2.954	20	30		DFEDHN
N#Cc1ccncc1NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000361796667	149222371	/nfs/dbraw/zinc/22/23/71/149222371.db2.gz	HOAXPXVXISEQOT-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)n1	ZINC000371311709	150021109	/nfs/dbraw/zinc/02/11/09/150021109.db2.gz	YUDKCWCQPIWFEI-IAOVAPTHSA-N	0	3	314.433	2.563	20	30		DFEDHN
Cc1cc([C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n[nH]1	ZINC000372002978	150123164	/nfs/dbraw/zinc/12/31/64/150123164.db2.gz	CEEMZMZHTPXJKU-FUHWJXTLSA-N	0	3	310.401	2.503	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000373829411	150264783	/nfs/dbraw/zinc/26/47/83/150264783.db2.gz	BOANZHFKAZHNDN-INIZCTEOSA-N	0	3	323.396	2.854	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2cnccc2C#N)N(C)C)cc1	ZINC000358404481	158379059	/nfs/dbraw/zinc/37/90/59/158379059.db2.gz	XFLVHJAWQALGHA-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
CNC(=O)C1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358580639	158390575	/nfs/dbraw/zinc/39/05/75/158390575.db2.gz	YKPLCFGGTCEFSC-LMWSTFAQSA-N	0	3	303.381	2.653	20	30		DFEDHN
COc1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)cn1	ZINC000373557019	158752194	/nfs/dbraw/zinc/75/21/94/158752194.db2.gz	ZORDFRMKPYBJJX-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCSC2)CC1	ZINC000371944998	287131403	/nfs/dbraw/zinc/13/14/03/287131403.db2.gz	ZMGCMYAPJFUPBZ-YOEHRIQHSA-N	0	3	301.459	2.742	20	30		DFEDHN
C[C@@H](O)CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000130705259	196102569	/nfs/dbraw/zinc/10/25/69/196102569.db2.gz	SOWRYEWTBZSCQL-OAHLLOKOSA-N	0	3	310.397	2.950	20	30		DFEDHN
COc1ccccc1OC[C@H](C)CNCc1ccc(C#N)o1	ZINC000131393427	196165393	/nfs/dbraw/zinc/16/53/93/196165393.db2.gz	QZOJBVCJCBJSPK-CYBMUJFWSA-N	0	3	300.358	2.965	20	30		DFEDHN
C=CCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC)CC1	ZINC000290506010	335071990	/nfs/dbraw/zinc/07/19/90/335071990.db2.gz	VZMHIXLQZUYYRH-UHFFFAOYSA-N	0	3	315.421	2.565	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC=C(c3cccnc3)C2)cc1	ZINC000295682860	225119245	/nfs/dbraw/zinc/11/92/45/225119245.db2.gz	CMIWBJTXKZQQNC-LJQANCHMSA-N	0	3	305.381	2.776	20	30		DFEDHN
C=CCCn1cc(CN(CCN(C)C)CC2CCCCC2)nn1	ZINC000668160068	543754317	/nfs/dbraw/zinc/75/43/17/543754317.db2.gz	RJDUFGJCEVKRMA-UHFFFAOYSA-N	0	3	319.497	2.798	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(CCCCC)n[nH]2)CC1	ZINC000668369833	543798625	/nfs/dbraw/zinc/79/86/25/543798625.db2.gz	FZCZNGJVEWPIBE-UHFFFAOYSA-N	0	3	318.465	2.913	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@H](c1cncc(Br)c1)C1CC1	ZINC000671249075	544063538	/nfs/dbraw/zinc/06/35/38/544063538.db2.gz	KPCNPSXPLQPWRE-KBPBESRZSA-N	0	3	311.223	2.822	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H]([C@H]2CNC(=O)C2)C1	ZINC000671444619	544073442	/nfs/dbraw/zinc/07/34/42/544073442.db2.gz	ZJDCUZIMBFNNRK-DOTOQJQBSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](CC(N)=O)CC2)c1	ZINC000671469711	544076822	/nfs/dbraw/zinc/07/68/22/544076822.db2.gz	QAHRSQZQYDXSCU-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000290651785	335073966	/nfs/dbraw/zinc/07/39/66/335073966.db2.gz	UGAVDLUJQSCXBL-INIZCTEOSA-N	0	3	308.397	2.527	20	30		DFEDHN
C=CCCOCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000673750270	544195950	/nfs/dbraw/zinc/19/59/50/544195950.db2.gz	TWEYPYYXONKBCO-QGZVFWFLSA-N	0	3	316.445	2.702	20	30		DFEDHN
CN1CCC(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000291367856	222346063	/nfs/dbraw/zinc/34/60/63/222346063.db2.gz	ACXOEOMTQQNUNN-UHFFFAOYSA-N	0	3	311.429	2.781	20	30		DFEDHN
Cn1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1C#N	ZINC000291375068	222350943	/nfs/dbraw/zinc/35/09/43/222350943.db2.gz	ZRTVSJLOURNSSS-HXUWFJFHSA-N	0	3	323.440	2.714	20	30		DFEDHN
C#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000291578133	335081427	/nfs/dbraw/zinc/08/14/27/335081427.db2.gz	OYQMKNSUECNNHS-KRWDZBQOSA-N	0	3	313.445	2.562	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(F)c(F)c1	ZINC000184670015	335082776	/nfs/dbraw/zinc/08/27/76/335082776.db2.gz	ASZIIWYAUNYNHU-CZUORRHYSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1COC)C(C)C	ZINC000674613976	544246827	/nfs/dbraw/zinc/24/68/27/544246827.db2.gz	BBMPOWGXFAMOMW-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000675496581	544316253	/nfs/dbraw/zinc/31/62/53/544316253.db2.gz	FLDNCUXBSHYXTB-HUUCEWRRSA-N	0	3	317.351	2.830	20	30		DFEDHN
COCC#CCN(C)CCCc1cc(-c2ccc(F)cc2)no1	ZINC000677818948	544546159	/nfs/dbraw/zinc/54/61/59/544546159.db2.gz	YVVVAANBBKWXMU-UHFFFAOYSA-N	0	3	316.376	2.995	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC)[C@@H](C)C2)cc(OC)c1O	ZINC000678261798	544636175	/nfs/dbraw/zinc/63/61/75/544636175.db2.gz	UBFYKIMOUYTLBV-AWEZNQCLSA-N	0	3	304.434	2.655	20	30		DFEDHN
C=CCOCCNCc1cnn(Cc2ccccc2Cl)c1	ZINC000679486707	544859853	/nfs/dbraw/zinc/85/98/53/544859853.db2.gz	SEBIDJMXLUGEBP-UHFFFAOYSA-N	0	3	305.809	2.877	20	30		DFEDHN
Cc1ccc([C@H](CNc2ccc(C#N)nn2)N2CCCC2)cc1	ZINC000301958472	230003688	/nfs/dbraw/zinc/00/36/88/230003688.db2.gz	GMDRAHNCNLBKPS-KRWDZBQOSA-N	0	3	307.401	2.906	20	30		DFEDHN
C=CCOCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000679576101	544880219	/nfs/dbraw/zinc/88/02/19/544880219.db2.gz	HQFCXRUEQADFCN-GFCCVEGCSA-N	0	3	306.797	2.774	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1cnc(C#N)cn1	ZINC000302264108	230204396	/nfs/dbraw/zinc/20/43/96/230204396.db2.gz	DYFXDGXUJJDEIK-CRAIPNDOSA-N	0	3	321.428	2.695	20	30		DFEDHN
C/C(=C\C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1	ZINC000055388342	425893296	/nfs/dbraw/zinc/89/32/96/425893296.db2.gz	KWTIUENMRAXMFO-NTCAYCPXSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(CC)C1	ZINC000057870689	425896982	/nfs/dbraw/zinc/89/69/82/425896982.db2.gz	IAIMMYRRMCZXCB-AWEZNQCLSA-N	0	3	307.463	2.930	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1C#N	ZINC000332278023	269779251	/nfs/dbraw/zinc/77/92/51/269779251.db2.gz	HPSMNPLZVYARCS-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
CCN(C)CCNC(=O)/C=C/c1cn(CCC#N)c2ccccc12	ZINC000066959266	425907971	/nfs/dbraw/zinc/90/79/71/425907971.db2.gz	WJWVMXAOVOYOCU-MDZDMXLPSA-N	0	3	324.428	2.636	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(F)cc2OCC)CC1	ZINC000067203672	425909162	/nfs/dbraw/zinc/90/91/62/425909162.db2.gz	BOVGILADPOLFGO-UHFFFAOYSA-N	0	3	304.365	2.508	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(CC#N)c2)C1	ZINC000067209093	425909298	/nfs/dbraw/zinc/90/92/98/425909298.db2.gz	VYHKKLFZOBFURN-GOSISDBHSA-N	0	3	319.408	2.886	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1	ZINC000194956344	335086449	/nfs/dbraw/zinc/08/64/49/335086449.db2.gz	NLDGIHIHIZRMIP-DLBZAZTESA-N	0	3	317.408	2.631	20	30		DFEDHN
N#Cc1cnc(NCCCNCc2cccnc2)c(Cl)c1	ZINC000420177434	270000594	/nfs/dbraw/zinc/00/05/94/270000594.db2.gz	CMZPTRWJOCBXJC-UHFFFAOYSA-N	0	3	301.781	2.593	20	30		DFEDHN
N#Cc1cccc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-]	ZINC000450246778	270001230	/nfs/dbraw/zinc/00/12/30/270001230.db2.gz	LSNOZMJVNIAUOE-UHFFFAOYSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)Cc1cccc(F)c1)CC2	ZINC000453221377	270001540	/nfs/dbraw/zinc/00/15/40/270001540.db2.gz	OPVVHNXHWPTPEI-PKOBYXMFSA-N	0	3	310.372	2.878	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NCCN2CCCCCC2)c1	ZINC000456000956	270001752	/nfs/dbraw/zinc/00/17/52/270001752.db2.gz	LOGTWOYBRKLDFR-UHFFFAOYSA-N	0	3	300.406	2.864	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1	ZINC000124690560	425933341	/nfs/dbraw/zinc/93/33/41/425933341.db2.gz	BMOLPEXAFRQAHL-HOCLYGCPSA-N	0	3	302.418	2.806	20	30		DFEDHN
Cc1ccc(CN2CCCC2)cc1NC(=O)CSCC#N	ZINC000156786129	425936049	/nfs/dbraw/zinc/93/60/49/425936049.db2.gz	IVFPLXHNWRMIRA-UHFFFAOYSA-N	0	3	303.431	2.786	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)[nH]1	ZINC000346009085	265835219	/nfs/dbraw/zinc/83/52/19/265835219.db2.gz	PKYGIBZKKDCJCT-UHFFFAOYSA-N	0	3	302.422	2.613	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cnccc1C#N)c1ccccc1	ZINC000340905997	266119221	/nfs/dbraw/zinc/11/92/21/266119221.db2.gz	WEGUXLHZRZAFTA-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
CCN1C[C@H](C)N(CCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000346162224	266160177	/nfs/dbraw/zinc/16/01/77/266160177.db2.gz	KLXZPSSSTJVTAY-HOTGVXAUSA-N	0	3	301.434	2.742	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000346161669	266451419	/nfs/dbraw/zinc/45/14/19/266451419.db2.gz	BUKCDYJSDBOLJV-BXUZGUMPSA-N	0	3	313.380	2.517	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000519194021	266907812	/nfs/dbraw/zinc/90/78/12/266907812.db2.gz	LVKWCVMNKNAETF-SJORKVTESA-N	0	3	312.417	2.889	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416343205	267019753	/nfs/dbraw/zinc/01/97/53/267019753.db2.gz	REDRETSTFNCZIL-QZTJIDSGSA-N	0	3	311.429	2.926	20	30		DFEDHN
CCN(CC)[C@H](CNc1cncc(C#N)n1)c1ccsc1	ZINC000420583930	267061597	/nfs/dbraw/zinc/06/15/97/267061597.db2.gz	JTQYDBUZXKFNPG-CQSZACIVSA-N	0	3	301.419	2.905	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@]12CCCO2	ZINC000444002596	267150804	/nfs/dbraw/zinc/15/08/04/267150804.db2.gz	KDYAEHZGAXKCDB-KZNAEPCWSA-N	0	3	300.402	2.683	20	30		DFEDHN
C[C@H](CCc1ccco1)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279684099	267152994	/nfs/dbraw/zinc/15/29/94/267152994.db2.gz	HEJYZTOYEGNHRP-RHSMWYFYSA-N	0	3	321.380	2.971	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncs1	ZINC000338921669	267177451	/nfs/dbraw/zinc/17/74/51/267177451.db2.gz	UJLFCYOZUHYXBJ-FZMZJTMJSA-N	0	3	310.382	2.574	20	30		DFEDHN
CC[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000419326545	267212928	/nfs/dbraw/zinc/21/29/28/267212928.db2.gz	YGNVTCJUZDPPGE-GXFFZTMASA-N	0	3	313.323	2.653	20	30		DFEDHN
CC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1	ZINC000447601201	267221397	/nfs/dbraw/zinc/22/13/97/267221397.db2.gz	PBPWMPYUZVIOAD-HOTGVXAUSA-N	0	3	306.431	2.566	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1	ZINC000171695133	267229938	/nfs/dbraw/zinc/22/99/38/267229938.db2.gz	DOQCHWOHZMUURQ-NSHDSACASA-N	0	3	323.849	2.978	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1	ZINC000338171737	267277407	/nfs/dbraw/zinc/27/74/07/267277407.db2.gz	CALSWPRURMQEOT-MOPGFXCFSA-N	0	3	319.408	2.694	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)/C=C\c1ccc(C#N)cc1	ZINC000491874834	267284009	/nfs/dbraw/zinc/28/40/09/267284009.db2.gz	WSQHKKSQSRUVPR-QXMHVHEDSA-N	0	3	319.408	2.949	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)Cc2c(F)cccc2C#N)c1	ZINC000505259372	267284427	/nfs/dbraw/zinc/28/44/27/267284427.db2.gz	GXTCHEVFSBPFKV-UHFFFAOYSA-N	0	3	311.360	2.940	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1cscc1C#N)Cc1ccccc1	ZINC000432049762	267285529	/nfs/dbraw/zinc/28/55/29/267285529.db2.gz	XKFBNJDINCUULQ-OAHLLOKOSA-N	0	3	313.426	2.522	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1CCCN(C)[C@@H]1C	ZINC000343426629	267328728	/nfs/dbraw/zinc/32/87/28/267328728.db2.gz	FNAFWXJOMPOYJH-MLGOLLRUSA-N	0	3	312.392	2.871	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2cccc(F)c2C#N)CC1	ZINC000496539116	267377479	/nfs/dbraw/zinc/37/74/79/267377479.db2.gz	JVQSRLPGZNLWTJ-GFCCVEGCSA-N	0	3	319.380	2.654	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1	ZINC000026156261	267386729	/nfs/dbraw/zinc/38/67/29/267386729.db2.gz	WBQBMQSGBQUQHC-UHFFFAOYSA-N	0	3	305.381	2.945	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000030532675	267394789	/nfs/dbraw/zinc/39/47/89/267394789.db2.gz	QFPGKLMLFSCSJE-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H](C)C2CCOCC2)c(C#N)c1C	ZINC000179870947	267757119	/nfs/dbraw/zinc/75/71/19/267757119.db2.gz	PZOHIYPRWCBKQG-LLVKDONJSA-N	0	3	321.446	2.580	20	30		DFEDHN
N#Cc1cccc(CNCc2cccc(CN3CCCC3=O)c2)c1	ZINC000030915076	425833235	/nfs/dbraw/zinc/83/32/35/425833235.db2.gz	MYVDXDZLGWYBBQ-UHFFFAOYSA-N	0	3	319.408	2.970	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)n1	ZINC000041518013	425851998	/nfs/dbraw/zinc/85/19/98/425851998.db2.gz	AOPDTBZZJHJIRX-GFCCVEGCSA-N	0	3	311.366	2.826	20	30		DFEDHN
N#CC(C(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2	ZINC000041510696	425852059	/nfs/dbraw/zinc/85/20/59/425852059.db2.gz	IEHRKWWJEUSFEL-ZDUSSCGKSA-N	0	3	316.311	2.773	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)NCc2cccc(C#N)c2)c1	ZINC000044277070	425855927	/nfs/dbraw/zinc/85/59/27/425855927.db2.gz	CQDKRMJXUCQSMJ-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1CN(C)C	ZINC000458269073	268010248	/nfs/dbraw/zinc/01/02/48/268010248.db2.gz	GUKMVZVTKNMZFQ-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
Cc1cccc(C(=O)NCCNCc2ccc(C#N)c(C)c2)c1	ZINC000443978056	268050182	/nfs/dbraw/zinc/05/01/82/268050182.db2.gz	KGTDYTJXHMPOHJ-UHFFFAOYSA-N	0	3	307.397	2.695	20	30		DFEDHN
Cc1cccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)c1	ZINC000452086112	268057492	/nfs/dbraw/zinc/05/74/92/268057492.db2.gz	MODQLBWFIVMLLM-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCCC[C@@H]1C	ZINC000047144057	425868284	/nfs/dbraw/zinc/86/82/84/425868284.db2.gz	IIYZUYJZJPSKNH-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
N#Cc1ccc(CN2CCC(N[C@@H]3CCC[C@@H]3C#N)CC2)cc1	ZINC000350391287	268065062	/nfs/dbraw/zinc/06/50/62/268065062.db2.gz	LWCZIHJKWQMZEQ-IEBWSBKVSA-N	0	3	308.429	2.805	20	30		DFEDHN
N#Cc1ccc(CNCCCN(C(=O)C2CCC2)C2CC2)s1	ZINC000344470477	268072622	/nfs/dbraw/zinc/07/26/22/268072622.db2.gz	XHONHEKXSLVRDU-UHFFFAOYSA-N	0	3	317.458	2.891	20	30		DFEDHN
N#Cc1ccc(CNCCNc2cnccn2)c(C(F)(F)F)c1	ZINC000352802545	268074466	/nfs/dbraw/zinc/07/44/66/268074466.db2.gz	UEZBCQQTWYZVFM-UHFFFAOYSA-N	0	3	321.306	2.569	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cc2)cc1	ZINC000347967371	268086711	/nfs/dbraw/zinc/08/67/11/268086711.db2.gz	HOMUYZTXPLPQLT-INIZCTEOSA-N	0	3	307.328	2.696	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2CCC(C#N)CC2)cc1	ZINC000282651344	268089486	/nfs/dbraw/zinc/08/94/86/268089486.db2.gz	JCLFFBPXQXKMDS-DAWZGUTISA-N	0	3	320.396	2.687	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1	ZINC000348335698	268092263	/nfs/dbraw/zinc/09/22/63/268092263.db2.gz	BZKHFLYKKFTBCX-HUUCEWRRSA-N	0	3	317.339	2.935	20	30		DFEDHN
Cc1noc([C@@H]2CC[C@H](CNCc3ccc(C#N)c(C)c3)O2)n1	ZINC000443982172	268098529	/nfs/dbraw/zinc/09/85/29/268098529.db2.gz	DFIVPWGRYZPHMI-CVEARBPZSA-N	0	3	312.373	2.568	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000269624485	268189314	/nfs/dbraw/zinc/18/93/14/268189314.db2.gz	NWHJUWMWMBRDNZ-SFHVURJKSA-N	0	3	319.408	2.871	20	30		DFEDHN
N#Cc1ccc(C2(NC[C@@H](O)c3ccccc3)CCOCC2)cc1	ZINC000528777647	268211249	/nfs/dbraw/zinc/21/12/49/268211249.db2.gz	COUOEEILCUAJOO-LJQANCHMSA-N	0	3	322.408	2.887	20	30		DFEDHN
N#Cc1ccc(C2(NCc3ccc(CO)cc3)CCOCC2)cc1	ZINC000528778810	268212164	/nfs/dbraw/zinc/21/21/64/268212164.db2.gz	NIWJFAMENMHXFH-UHFFFAOYSA-N	0	3	322.408	2.846	20	30		DFEDHN
N#Cc1ccc(CN2CCN(C3CCOCC3)CC2)c(Cl)c1	ZINC000439443499	268220830	/nfs/dbraw/zinc/22/08/30/268220830.db2.gz	UKLMPGCRYJQXOM-UHFFFAOYSA-N	0	3	319.836	2.508	20	30		DFEDHN
N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)c(OC(F)F)c1	ZINC000437897940	268220867	/nfs/dbraw/zinc/22/08/67/268220867.db2.gz	PCFRGWYPGBBDQP-OAHLLOKOSA-N	0	3	321.371	2.830	20	30		DFEDHN
N#Cc1ccc2ncc(CNCc3ccc4c(c3)COC4)n2c1	ZINC000344998136	268224872	/nfs/dbraw/zinc/22/48/72/268224872.db2.gz	QGYMETJZWVHCRA-UHFFFAOYSA-N	0	3	304.353	2.526	20	30		DFEDHN
N#Cc1cccc(CCNCc2nccn2CC(F)(F)F)c1	ZINC000341464210	268244881	/nfs/dbraw/zinc/24/48/81/268244881.db2.gz	PTUDDYZXPYPNOG-UHFFFAOYSA-N	0	3	308.307	2.649	20	30		DFEDHN
N#Cc1cccc(CCN[C@H](c2nnc[nH]2)c2ccccc2)c1	ZINC000343992015	268244940	/nfs/dbraw/zinc/24/49/40/268244940.db2.gz	QOLXSQITJUVBES-KRWDZBQOSA-N	0	3	303.369	2.598	20	30		DFEDHN
Cc1nc2c(n1[C@@H]1CCN(Cc3ccc(C#N)o3)C1)CCCC2	ZINC000275698811	268259675	/nfs/dbraw/zinc/25/96/75/268259675.db2.gz	RMRCGPZVUJQIIR-CQSZACIVSA-N	0	3	310.401	2.982	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@H]2CCCCC(F)(F)C2)C(N)=O)cc1	ZINC000427840680	268262550	/nfs/dbraw/zinc/26/25/50/268262550.db2.gz	WZGUNPCZAIAVBE-DZGCQCFKSA-N	0	3	321.371	2.890	20	30		DFEDHN
N#Cc1cccc(CC(=O)NC[C@@H]2CCN2C2CCCCC2)c1	ZINC000529723176	268275643	/nfs/dbraw/zinc/27/56/43/268275643.db2.gz	QOJBYTQCMKZMDB-SFHVURJKSA-N	0	3	311.429	2.624	20	30		DFEDHN
N#Cc1cccc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-]	ZINC000450487786	268282817	/nfs/dbraw/zinc/28/28/17/268282817.db2.gz	SUVHCGSRVHRKTR-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC3(CCC3)[C@H]3COC[C@H]32)c1	ZINC000459673905	268283445	/nfs/dbraw/zinc/28/34/45/268283445.db2.gz	MDHIGVFLBFZGOQ-ZWKOTPCHSA-N	0	3	312.413	2.828	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](N2CCCCC2)C1	ZINC000459341002	268291127	/nfs/dbraw/zinc/29/11/27/268291127.db2.gz	FYHOFDKHNPEFHI-HNNXBMFYSA-N	0	3	314.389	2.527	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000309889699	268336853	/nfs/dbraw/zinc/33/68/53/268336853.db2.gz	MBNDGSSCILDUBQ-CHWSQXEVSA-N	0	3	303.406	2.950	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2ncccc2C#N)C1	ZINC000323856514	268350190	/nfs/dbraw/zinc/35/01/90/268350190.db2.gz	ZPUSGBAPAQEMLW-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
C[C@H](SCCN(C)C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000157854717	425939510	/nfs/dbraw/zinc/93/95/10/425939510.db2.gz	BOIABYUUKRGLLB-ZDUSSCGKSA-N	0	3	323.437	2.756	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN(Cc2ccncc2)C2CC2)cc1	ZINC000124889479	425943609	/nfs/dbraw/zinc/94/36/09/425943609.db2.gz	IGZYNGNZSPDBTB-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)N(C)C1CC1	ZINC000105269159	425966418	/nfs/dbraw/zinc/96/64/18/425966418.db2.gz	RKIHCRFXHLDMTP-CYBMUJFWSA-N	0	3	307.463	2.928	20	30		DFEDHN
O=C1C[C@@H]([C@@H]2CCCCN2CC#Cc2cccc(Cl)c2)CN1	ZINC000125365444	425967859	/nfs/dbraw/zinc/96/78/59/425967859.db2.gz	URLDHBSKIRCTQH-WBVHZDCISA-N	0	3	316.832	2.682	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](OC)c2ccccc2)CC1	ZINC000106036130	425970133	/nfs/dbraw/zinc/97/01/33/425970133.db2.gz	CLQKQFJHRUYQOZ-QGZVFWFLSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(N3CCCCC3)ncn2)CC1	ZINC000106066252	425971606	/nfs/dbraw/zinc/97/16/06/425971606.db2.gz	GEGUAWZIJNSEJP-UHFFFAOYSA-N	0	3	315.465	2.919	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1	ZINC000106341040	425973731	/nfs/dbraw/zinc/97/37/31/425973731.db2.gz	HHVFEHJIRYGPHK-UHFFFAOYSA-N	0	3	317.433	2.574	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NC[C@@H](O)Cc2ccccc2)C1	ZINC000126733695	426034289	/nfs/dbraw/zinc/03/42/89/426034289.db2.gz	TUSYXKSTQUBWTG-GPJFCIFZSA-N	0	3	306.409	2.804	20	30		DFEDHN
Cc1ccc(C#N)c(NC2CCN(CCOC(C)C)CC2)n1	ZINC000161693419	426035706	/nfs/dbraw/zinc/03/57/06/426035706.db2.gz	NIUABCWAFUXQNP-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@H](C1CC1)N1CCCC1	ZINC000126996689	426046171	/nfs/dbraw/zinc/04/61/71/426046171.db2.gz	CEZMYQNQQSUVDK-SFHVURJKSA-N	0	3	314.429	2.742	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000111512064	426052156	/nfs/dbraw/zinc/05/21/56/426052156.db2.gz	AFVKGYPROUPTAQ-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
CCN(CCCSCC#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000074991089	426060725	/nfs/dbraw/zinc/06/07/25/426060725.db2.gz	YAPCGXKHVDWWEC-INIZCTEOSA-N	0	3	317.458	2.761	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3nccs3)C2)cc1	ZINC000127340134	426062049	/nfs/dbraw/zinc/06/20/49/426062049.db2.gz	MPSMPCYVTNWRMF-HOTGVXAUSA-N	0	3	313.426	2.928	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)C(C)C	ZINC000126348155	426015098	/nfs/dbraw/zinc/01/50/98/426015098.db2.gz	BXVMKCPPGZYLFW-FUHWJXTLSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCNC(=O)[C@H](C)NCC1(c2cccc(OC)c2)CCCC1	ZINC000108407222	426015437	/nfs/dbraw/zinc/01/54/37/426015437.db2.gz	PCCDCRMBRLQWNX-HNNXBMFYSA-N	0	3	316.445	2.787	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1	ZINC000126379466	426017991	/nfs/dbraw/zinc/01/79/91/426017991.db2.gz	CNCAOMXQNJERJH-HUUCEWRRSA-N	0	3	301.434	2.628	20	30		DFEDHN
CSCC[C@@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000126444733	426019214	/nfs/dbraw/zinc/01/92/14/426019214.db2.gz	XQTZNXRGGITDTB-CQSZACIVSA-N	0	3	311.495	2.745	20	30		DFEDHN
CC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1	ZINC000072862922	426021002	/nfs/dbraw/zinc/02/10/02/426021002.db2.gz	KSOAGPGRZZOWMK-HNNXBMFYSA-N	0	3	303.431	2.714	20	30		DFEDHN
C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCC1	ZINC000163093830	426088521	/nfs/dbraw/zinc/08/85/21/426088521.db2.gz	KJZGTBTXRBFUJI-ZDUSSCGKSA-N	0	3	306.431	2.500	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000075984911	426092128	/nfs/dbraw/zinc/09/21/28/426092128.db2.gz	HLYKSCVNPCFEEP-KRWDZBQOSA-N	0	3	308.385	2.983	20	30		DFEDHN
C#CCN(C(=O)NCc1cccc(CN(C)C)c1)C1CCCC1	ZINC000163568003	426103176	/nfs/dbraw/zinc/10/31/76/426103176.db2.gz	NNQINUQENUKQMK-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
COC(=O)c1ccc(CN(C)CCOc2cccc(C#N)c2)cc1	ZINC000076912130	426118635	/nfs/dbraw/zinc/11/86/35/426118635.db2.gz	LTBHDMMKRAFNEW-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1	ZINC000128472297	426119399	/nfs/dbraw/zinc/11/93/99/426119399.db2.gz	JTSJNKWYEQIJRB-QGZVFWFLSA-N	0	3	309.413	2.812	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000128691505	426129105	/nfs/dbraw/zinc/12/91/05/426129105.db2.gz	BBVDFUJIXJDNCB-HKUYNNGSSA-N	0	3	315.461	2.994	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000077498041	426136949	/nfs/dbraw/zinc/13/69/49/426136949.db2.gz	OYIXUUMUINVIQJ-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000127597108	426075022	/nfs/dbraw/zinc/07/50/22/426075022.db2.gz	TWYNMFKRHVGHSB-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
CCN(CCC#N)Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000127641968	426077448	/nfs/dbraw/zinc/07/74/48/426077448.db2.gz	JMHQCIXYESZLHV-UHFFFAOYSA-N	0	3	314.477	2.953	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@H](O)COCc1ccco1	ZINC000075673219	426079737	/nfs/dbraw/zinc/07/97/37/426079737.db2.gz	WBNPJDXPKZJPKE-KRWDZBQOSA-N	0	3	301.386	2.845	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000116959972	426202663	/nfs/dbraw/zinc/20/26/63/426202663.db2.gz	WCFRVRATPOMXHI-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
N#Cc1cccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1	ZINC000114641909	426141236	/nfs/dbraw/zinc/14/12/36/426141236.db2.gz	OSRPAZUOQXRVCP-IBGZPJMESA-N	0	3	319.408	2.953	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)nc2)N(C)C)cc1	ZINC000115321965	426160814	/nfs/dbraw/zinc/16/08/14/426160814.db2.gz	IBQSVXZKUKEJRE-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
CC[C@H]1c2ccsc2CCN1CCC(=O)N(C)CCC#N	ZINC000131133734	426164156	/nfs/dbraw/zinc/16/41/56/426164156.db2.gz	OYGHEMCRSUQWGH-AWEZNQCLSA-N	0	3	305.447	2.819	20	30		DFEDHN
C[C@H](CCc1ccccc1)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115594991	426168952	/nfs/dbraw/zinc/16/89/52/426168952.db2.gz	KECNZJGAQRDHGA-KDOFPFPSSA-N	0	3	307.397	2.696	20	30		DFEDHN
CCN(CCNC(=O)N[C@@H](CCC#N)c1ccccc1)C1CC1	ZINC000132775926	426171135	/nfs/dbraw/zinc/17/11/35/426171135.db2.gz	YJZUHDGBKRETNK-KRWDZBQOSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCCO[C@H](C)C1)C(C)C	ZINC000171308144	426183186	/nfs/dbraw/zinc/18/31/86/426183186.db2.gz	OAOFMARPJIGJLW-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC1	ZINC000134721606	426193334	/nfs/dbraw/zinc/19/33/34/426193334.db2.gz	RDSLWDVEOVUHRI-CQSZACIVSA-N	0	3	317.458	2.770	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)CC1CCN(C)CC1	ZINC000171562715	426195449	/nfs/dbraw/zinc/19/54/49/426195449.db2.gz	ZNYVHIRESMBOQG-UHFFFAOYSA-N	0	3	302.418	2.665	20	30		DFEDHN
N#CCSc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1	ZINC000079540438	426196016	/nfs/dbraw/zinc/19/60/16/426196016.db2.gz	ZNSQIVFIXRCMHW-OAHLLOKOSA-N	0	3	315.442	2.613	20	30		DFEDHN
N#Cc1cccc(CNCCc2csc(N3CCCC3)n2)c1	ZINC000117945587	426227176	/nfs/dbraw/zinc/22/71/76/426227176.db2.gz	NGZISADUVQLQIR-UHFFFAOYSA-N	0	3	312.442	2.947	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1	ZINC000084108880	426232975	/nfs/dbraw/zinc/23/29/75/426232975.db2.gz	LPWLQXLQEZBFFI-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
N#Cc1ccc(CNCCc2csc(N3CCCC3)n2)o1	ZINC000174406719	426255153	/nfs/dbraw/zinc/25/51/53/426255153.db2.gz	DVTRDFAMQNIHIU-UHFFFAOYSA-N	0	3	302.403	2.540	20	30		DFEDHN
N#Cc1ccc(CNCCCC(=O)N2CCc3ccccc32)o1	ZINC000174382351	426255416	/nfs/dbraw/zinc/25/54/16/426255416.db2.gz	LIGMCQWSIPKHIR-UHFFFAOYSA-N	0	3	309.369	2.610	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCC[C@H]1O	ZINC000339138633	268763475	/nfs/dbraw/zinc/76/34/75/268763475.db2.gz	XADDJIPDWKTYIC-TZMCWYRMSA-N	0	3	310.344	2.752	20	30		DFEDHN
COc1ccc(CNCCOc2ccc(C#N)cc2)cc1F	ZINC000174558096	426259316	/nfs/dbraw/zinc/25/93/16/426259316.db2.gz	NBQMHYKQSXGKCO-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(F)c(F)c(F)c2F)CC1	ZINC000171720436	426207135	/nfs/dbraw/zinc/20/71/35/426207135.db2.gz	BOFPGRVVAYMRDZ-UHFFFAOYSA-N	0	3	316.298	2.623	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccccc2F)CC1	ZINC000171722198	426207141	/nfs/dbraw/zinc/20/71/41/426207141.db2.gz	KMLLETGFJHUIMX-CQSZACIVSA-N	0	3	319.424	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(OC)c(F)c2)CC1	ZINC000171738156	426207515	/nfs/dbraw/zinc/20/75/15/426207515.db2.gz	QUOBZHLAHNDWFY-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1	ZINC000171726971	426207724	/nfs/dbraw/zinc/20/77/24/426207724.db2.gz	RHDSXXXTNRCPMO-DLBZAZTESA-N	0	3	317.408	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@H]2C)CC1	ZINC000171737286	426207760	/nfs/dbraw/zinc/20/77/60/426207760.db2.gz	YPKJXTXGVCERPE-OAHLLOKOSA-N	0	3	313.445	2.966	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H](Cn2cncn2)C1	ZINC000135211030	426208385	/nfs/dbraw/zinc/20/83/85/426208385.db2.gz	HEXOMSSWMHLKRY-INIZCTEOSA-N	0	3	323.444	2.991	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(COC)c2)CC1	ZINC000171740261	426209185	/nfs/dbraw/zinc/20/91/85/426209185.db2.gz	QUBJWAMZQGXEGX-UHFFFAOYSA-N	0	3	303.406	2.605	20	30		DFEDHN
CC[C@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)CCC#N	ZINC000120698077	426313618	/nfs/dbraw/zinc/31/36/18/426313618.db2.gz	BJSJQFDUEODUTQ-HOTGVXAUSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCCCN(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000151933495	426319857	/nfs/dbraw/zinc/31/98/57/426319857.db2.gz	LIWVUAXKDBONMN-QGZVFWFLSA-N	0	3	303.450	2.767	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(C)nc2C)CC1	ZINC000152174795	426331543	/nfs/dbraw/zinc/33/15/43/426331543.db2.gz	PZQQULVAPSPGBO-UHFFFAOYSA-N	0	3	302.422	2.860	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@](C)(CC)c2nc(C)cs2)CC1	ZINC000151136966	426280572	/nfs/dbraw/zinc/28/05/72/426280572.db2.gz	NDKKBPBTZNTILO-KRWDZBQOSA-N	0	3	319.474	2.538	20	30		DFEDHN
Cc1nc(CCNCc2cnc3ccc(C#N)cn23)sc1C	ZINC000122801291	426395113	/nfs/dbraw/zinc/39/51/13/426395113.db2.gz	SWFIKZFSDUWEAA-UHFFFAOYSA-N	0	3	311.414	2.612	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(NC(=O)c2ccccc2C)CC1	ZINC000122883528	426401344	/nfs/dbraw/zinc/40/13/44/426401344.db2.gz	UWRUMKLTDKSSCW-QGZVFWFLSA-N	0	3	316.445	2.516	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H](CC)CSC)CC1	ZINC000091218489	426341569	/nfs/dbraw/zinc/34/15/69/426341569.db2.gz	JQOMHWFUUMWJRV-OAHLLOKOSA-N	0	3	313.511	2.810	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H](CCC(N)=O)C1	ZINC000092660266	426351752	/nfs/dbraw/zinc/35/17/52/426351752.db2.gz	DJQCUAZXQTVLRV-OAHLLOKOSA-N	0	3	302.418	2.729	20	30		DFEDHN
C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000176106412	426352199	/nfs/dbraw/zinc/35/21/99/426352199.db2.gz	GYGCMZJXAMXIDV-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000176106429	426352869	/nfs/dbraw/zinc/35/28/69/426352869.db2.gz	GYGCMZJXAMXIDV-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1	ZINC000122095342	426357991	/nfs/dbraw/zinc/35/79/91/426357991.db2.gz	CBDCDHSEAHXLGA-UHFFFAOYSA-N	0	3	309.413	2.807	20	30		DFEDHN
C=CCc1cc(CN2CC[C@]3(CCOC3)C2)cc(OC)c1O	ZINC000093820213	426358542	/nfs/dbraw/zinc/35/85/42/426358542.db2.gz	KAQAHXVDVKJQDM-SFHVURJKSA-N	0	3	303.402	2.742	20	30		DFEDHN
CCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C#N)cc1	ZINC000176209896	426360793	/nfs/dbraw/zinc/36/07/93/426360793.db2.gz	MPPONQBGGWQOQK-UHFFFAOYSA-N	0	3	313.361	2.575	20	30		DFEDHN
CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(C#N)cc1	ZINC000176210806	426361223	/nfs/dbraw/zinc/36/12/23/426361223.db2.gz	CCRYKCVMUGBPIB-ZDUSSCGKSA-N	0	3	313.361	2.746	20	30		DFEDHN
CCN1CC[C@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1	ZINC000153023537	426367076	/nfs/dbraw/zinc/36/70/76/426367076.db2.gz	OHCNTFIXCVYNPU-ABAIWWIYSA-N	0	3	321.371	2.639	20	30		DFEDHN
CCSCCN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122632659	426385309	/nfs/dbraw/zinc/38/53/09/426385309.db2.gz	YSJJRWQFZQKNNY-UHFFFAOYSA-N	0	3	303.475	2.819	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)s1	ZINC000176959777	426428862	/nfs/dbraw/zinc/42/88/62/426428862.db2.gz	RSFWRZZKCQCHOL-UHFFFAOYSA-N	0	3	303.353	2.736	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)CC2CCCCC2)s1	ZINC000176969369	426430017	/nfs/dbraw/zinc/43/00/17/426430017.db2.gz	YUFFTLIJCBFSDM-UHFFFAOYSA-N	0	3	305.447	2.796	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@@H](C3OCCO3)C2)cc1	ZINC000177101188	426443386	/nfs/dbraw/zinc/44/33/86/426443386.db2.gz	QMRUKRLNGYLEHO-OAHLLOKOSA-N	0	3	305.805	2.776	20	30		DFEDHN
CCC[C@@H]1CN(Cc2cccc(C#N)c2F)CCN1CCOC	ZINC000341134715	269043995	/nfs/dbraw/zinc/04/39/95/269043995.db2.gz	XVWGNOWXGLTVMG-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1	ZINC000177184914	426450806	/nfs/dbraw/zinc/45/08/06/426450806.db2.gz	FQVJMNUZMOUYGU-HIFRSBDPSA-N	0	3	300.402	2.606	20	30		DFEDHN
C=CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000154861281	426459089	/nfs/dbraw/zinc/45/90/89/426459089.db2.gz	FEVGUXXXMISACW-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000186375062	426514696	/nfs/dbraw/zinc/51/46/96/426514696.db2.gz	YDHNGBFVVSYSIL-SJORKVTESA-N	0	3	315.417	2.680	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cccc(C#N)c1	ZINC000177776936	426518047	/nfs/dbraw/zinc/51/80/47/426518047.db2.gz	ZRIQHKVJNVVGLP-LJFWHQRKSA-N	0	3	309.413	2.657	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNC2(c3ccccc3)CCC2)cc1	ZINC000264230537	426523278	/nfs/dbraw/zinc/52/32/78/426523278.db2.gz	YHBSAVFWAVCHHH-GOSISDBHSA-N	0	3	322.408	2.967	20	30		DFEDHN
Cc1ccc(N(C)C2CCN(Cc3ccc(C#N)cc3)CC2)nn1	ZINC000264320724	426535915	/nfs/dbraw/zinc/53/59/15/426535915.db2.gz	KBYOVBGQJGLJQX-UHFFFAOYSA-N	0	3	321.428	2.758	20	30		DFEDHN
CCOC(C)(C)CNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000186532852	426545061	/nfs/dbraw/zinc/54/50/61/426545061.db2.gz	YDQMEGSHDWLDLZ-UHFFFAOYSA-N	0	3	312.417	2.863	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000264439005	426553129	/nfs/dbraw/zinc/55/31/29/426553129.db2.gz	FFOBCQOXKRDXRF-UHFFFAOYSA-N	0	3	319.361	2.584	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000186176481	426491556	/nfs/dbraw/zinc/49/15/56/426491556.db2.gz	PCHXDDZCTYRMRQ-KDOFPFPSSA-N	0	3	311.429	2.857	20	30		DFEDHN
CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186191906	426492263	/nfs/dbraw/zinc/49/22/63/426492263.db2.gz	GURYDRBHQUGLFO-GOSISDBHSA-N	0	3	313.445	2.995	20	30		DFEDHN
CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(C#N)cc1C)CC2	ZINC000186239574	426496895	/nfs/dbraw/zinc/49/68/95/426496895.db2.gz	ARTAHPSIPCVPSR-ROUUACIJSA-N	0	3	314.429	2.619	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCCC(=O)N2CCCCC2)cc1	ZINC000178199796	426584522	/nfs/dbraw/zinc/58/45/22/426584522.db2.gz	RCOTZILLSOTIQN-INIZCTEOSA-N	0	3	314.429	2.752	20	30		DFEDHN
COC(C)(C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280528513	426593341	/nfs/dbraw/zinc/59/33/41/426593341.db2.gz	SFYPYLRQAAXXPE-CJNGLKHVSA-N	0	3	313.401	2.560	20	30		DFEDHN
COCCN1CC[C@@H](Nc2cccc(OCCCC#N)c2)C1	ZINC000273158637	426605630	/nfs/dbraw/zinc/60/56/30/426605630.db2.gz	JUEWCODPBFQBDW-MRXNPFEDSA-N	0	3	303.406	2.502	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NCCCN1CCc2ccccc2C1	ZINC000280593414	426608168	/nfs/dbraw/zinc/60/81/68/426608168.db2.gz	OHSKSTUCSDBOKG-UHFFFAOYSA-N	0	3	323.396	2.638	20	30		DFEDHN
N#Cc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)cc1	ZINC000273175318	426609270	/nfs/dbraw/zinc/60/92/70/426609270.db2.gz	LAYNRDMGCWUUMX-IBGZPJMESA-N	0	3	307.397	2.737	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000264477480	426560319	/nfs/dbraw/zinc/56/03/19/426560319.db2.gz	PDMHRUBMPHKXTR-UHFFFAOYSA-N	0	3	303.362	2.884	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1	ZINC000264479345	426560987	/nfs/dbraw/zinc/56/09/87/426560987.db2.gz	LAFMTADXOMQXOX-DLBZAZTESA-N	0	3	302.393	2.696	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CCN(CC2CC2)CC1	ZINC000228703425	426634186	/nfs/dbraw/zinc/63/41/86/426634186.db2.gz	NGGIKBXOPDHPLY-UHFFFAOYSA-N	0	3	320.234	2.853	20	30		DFEDHN
CN(C)C1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1	ZINC000273294324	426637746	/nfs/dbraw/zinc/63/77/46/426637746.db2.gz	KYEZZEUYRBZPDB-UHFFFAOYSA-N	0	3	304.756	2.649	20	30		DFEDHN
COCC[C@@H](NCCOc1cccc(C#N)c1)c1ccco1	ZINC000273302785	426639558	/nfs/dbraw/zinc/63/95/58/426639558.db2.gz	RUOSUNJDHCVYFB-MRXNPFEDSA-N	0	3	300.358	2.897	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@H](CO)C1CCCC1	ZINC000289414791	426651150	/nfs/dbraw/zinc/65/11/50/426651150.db2.gz	BMYFYZFMFFQMTA-OAHLLOKOSA-N	0	3	323.234	2.961	20	30		DFEDHN
CC(C)[C@H](CNCc1cc(C#N)n(C)c1)NC(=O)OC(C)(C)C	ZINC000232757795	426654459	/nfs/dbraw/zinc/65/44/59/426654459.db2.gz	YFIZJAKCHOZCRN-HNNXBMFYSA-N	0	3	320.437	2.536	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@H]1C	ZINC000414991297	269622968	/nfs/dbraw/zinc/62/29/68/269622968.db2.gz	AYFDBNLLQZWJNB-QWHCGFSZSA-N	0	3	316.405	2.560	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000280815865	426661658	/nfs/dbraw/zinc/66/16/58/426661658.db2.gz	UIIOJSJNIZJDCW-QGZVFWFLSA-N	0	3	311.385	2.801	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1	ZINC000178692151	426676499	/nfs/dbraw/zinc/67/64/99/426676499.db2.gz	UGFRRZBZUPRSRF-CABCVRRESA-N	0	3	304.459	2.927	20	30		DFEDHN
C=CCc1cc(CNC(=O)[C@@H](N)CCCC)cc(OC)c1OC	ZINC000236815001	426687395	/nfs/dbraw/zinc/68/73/95/426687395.db2.gz	XYTPGAPCEGWMLJ-HNNXBMFYSA-N	0	3	320.433	2.566	20	30		DFEDHN
C#CCSCCNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000265761369	426684397	/nfs/dbraw/zinc/68/43/97/426684397.db2.gz	BEHDODZIZIKKPM-UHFFFAOYSA-N	0	3	316.470	2.769	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1OC	ZINC000273681999	426708452	/nfs/dbraw/zinc/70/84/52/426708452.db2.gz	HDMNKWZVUZTATL-ZTFGCOKTSA-N	0	3	321.417	2.542	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000187980460	426712459	/nfs/dbraw/zinc/71/24/59/426712459.db2.gz	SLRFYNFKUMIINE-OAHLLOKOSA-N	0	3	311.429	2.580	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC1	ZINC000274140761	426718311	/nfs/dbraw/zinc/71/83/11/426718311.db2.gz	QSHYXWFQXDILCZ-OAHLLOKOSA-N	0	3	317.458	2.692	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncoc1CC)C(C)C	ZINC000265990269	426718966	/nfs/dbraw/zinc/71/89/66/426718966.db2.gz	MFHBDNJQEXKUMQ-AWEZNQCLSA-N	0	3	305.422	2.665	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000281413274	426719241	/nfs/dbraw/zinc/71/92/41/426719241.db2.gz	XIQXAZNWJILSFX-YVEFUNNKSA-N	0	3	311.385	2.881	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000188068723	426719456	/nfs/dbraw/zinc/71/94/56/426719456.db2.gz	GLQUUNYKCUFGHI-LSDHHAIUSA-N	0	3	315.417	2.645	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(C#N)c2)[C@@]12CCCO2	ZINC000274182558	426721356	/nfs/dbraw/zinc/72/13/56/426721356.db2.gz	IYZKBPQFEJJPOC-RUGDWHBFSA-N	0	3	300.402	2.935	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000245932099	426785773	/nfs/dbraw/zinc/78/57/73/426785773.db2.gz	VMISBCWIEDRXEA-WMLDXEAASA-N	0	3	311.429	2.700	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000274268296	426732561	/nfs/dbraw/zinc/73/25/61/426732561.db2.gz	PZWSFPICFPELOX-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
CCn1nccc1CNCCSCc1ccccc1C#N	ZINC000179007698	426733997	/nfs/dbraw/zinc/73/39/97/426733997.db2.gz	FFMFVBKUZFVMPQ-UHFFFAOYSA-N	0	3	300.431	2.798	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1	ZINC000245462879	426740786	/nfs/dbraw/zinc/74/07/86/426740786.db2.gz	XBFPWDRZQUPZTF-CVEARBPZSA-N	0	3	300.402	2.560	20	30		DFEDHN
CN1CCN(CCNc2c(C#N)cnc3ccccc32)CC1(C)C	ZINC000281682344	426744160	/nfs/dbraw/zinc/74/41/60/426744160.db2.gz	QWWAUIGTQKTFAX-UHFFFAOYSA-N	0	3	323.444	2.544	20	30		DFEDHN
C=CCCCCN[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000274546431	426789408	/nfs/dbraw/zinc/78/94/08/426789408.db2.gz	VJDUGLQAXFLWSG-CYBMUJFWSA-N	0	3	311.223	2.921	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000245694935	426764003	/nfs/dbraw/zinc/76/40/03/426764003.db2.gz	RGVYUWAEUMNGKD-WFASDCNBSA-N	0	3	300.406	2.813	20	30		DFEDHN
CCc1nccn1[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000246000833	426789597	/nfs/dbraw/zinc/78/95/97/426789597.db2.gz	JTEUWIZCVOCLEG-ZWKOTPCHSA-N	0	3	324.428	2.688	20	30		DFEDHN
C=CCCCCNC(=O)NCc1ccccc1OCCN(C)C	ZINC000274599094	426800326	/nfs/dbraw/zinc/80/03/26/426800326.db2.gz	QTQWUZOKQWUCPQ-UHFFFAOYSA-N	0	3	319.449	2.783	20	30		DFEDHN
N#Cc1cnc2c(F)cc(F)cc2c1N1CCN2CCC[C@H]2C1	ZINC000246504394	426841633	/nfs/dbraw/zinc/84/16/33/426841633.db2.gz	BVIDQIYVVKZLGQ-ZDUSSCGKSA-N	0	3	314.339	2.669	20	30		DFEDHN
CCS[C@@H]1CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000246587298	426847970	/nfs/dbraw/zinc/84/79/70/426847970.db2.gz	IMOPDSPDWJQZRI-LSDHHAIUSA-N	0	3	311.495	2.602	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](C)[C@H]1C)C(C)C	ZINC000246599524	426848950	/nfs/dbraw/zinc/84/89/50/426848950.db2.gz	DAWXWHAPHIYTNX-BRWVUGGUSA-N	0	3	323.481	2.504	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000268117787	426917136	/nfs/dbraw/zinc/91/71/36/426917136.db2.gz	FFUNQCYOPHNBQH-QAPCUYQASA-N	0	3	313.445	2.867	20	30		DFEDHN
Cc1cn[nH]c1CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000291585663	426920853	/nfs/dbraw/zinc/92/08/53/426920853.db2.gz	PIDKNDVPSPPGOS-UHFFFAOYSA-N	0	3	314.364	2.772	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-]	ZINC000290878931	426863435	/nfs/dbraw/zinc/86/34/35/426863435.db2.gz	BQXWSERRUDWATD-OAHLLOKOSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2CCCN(C)CC2)c1	ZINC000180671923	426878355	/nfs/dbraw/zinc/87/83/55/426878355.db2.gz	FPMNNIURWIYLLE-UHFFFAOYSA-N	0	3	303.406	2.811	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267698753	426886101	/nfs/dbraw/zinc/88/61/01/426886101.db2.gz	RJZXPBQXLKDCPD-CMPLNLGQSA-N	0	3	312.339	2.748	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC1(C(F)F)CC1)C(C)C	ZINC000337628280	426887934	/nfs/dbraw/zinc/88/79/34/426887934.db2.gz	FYDIYNDWVRGWPB-CYBMUJFWSA-N	0	3	315.408	2.782	20	30		DFEDHN
COc1cc(CN2CCC(C3(C)OCCO3)CC2)ccc1C#N	ZINC000282360098	426892256	/nfs/dbraw/zinc/89/22/56/426892256.db2.gz	PSEXEBKMBIJHRB-UHFFFAOYSA-N	0	3	316.401	2.542	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NCc1ccccc1CN(C)C	ZINC000275764806	426911369	/nfs/dbraw/zinc/91/13/69/426911369.db2.gz	VEZFKHVELKAUQF-GOSISDBHSA-N	0	3	304.434	2.593	20	30		DFEDHN
CCOC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)C	ZINC000189795596	426951299	/nfs/dbraw/zinc/95/12/99/426951299.db2.gz	AFCSODINBIAYDI-CZUORRHYSA-N	0	3	303.406	2.536	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(C[C@H]3CCCCO3)CC2)cc1	ZINC000247636632	426953975	/nfs/dbraw/zinc/95/39/75/426953975.db2.gz	DWSFDTHMHBNJOX-LJQANCHMSA-N	0	3	313.445	2.635	20	30		DFEDHN
C=CCN1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1	ZINC000268252342	426963866	/nfs/dbraw/zinc/96/38/66/426963866.db2.gz	ZUSBJLIXWKHBTQ-UHFFFAOYSA-N	0	3	309.341	2.805	20	30		DFEDHN
CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)cc2C)C1(C)C	ZINC000189993648	426994728	/nfs/dbraw/zinc/99/47/28/426994728.db2.gz	JCTGTTQVNPCVSB-FUHWJXTLSA-N	0	3	302.418	2.522	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CCN1C	ZINC000328604886	426981423	/nfs/dbraw/zinc/98/14/23/426981423.db2.gz	JACBHAHIPJAAOC-XUJVJEKNSA-N	0	3	321.396	2.636	20	30		DFEDHN
O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H](C1CC1)N1CCCC1	ZINC000328701199	426990367	/nfs/dbraw/zinc/99/03/67/426990367.db2.gz	NFGWKXCRJMUINH-UKRRQHHQSA-N	0	3	305.422	2.859	20	30		DFEDHN
C#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282860830	426929962	/nfs/dbraw/zinc/92/99/62/426929962.db2.gz	VKWQBLCGHNHMHF-QGZVFWFLSA-N	0	3	313.445	2.610	20	30		DFEDHN
C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181321048	426939073	/nfs/dbraw/zinc/93/90/73/426939073.db2.gz	HNZLZRIIJDQHCC-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1	ZINC000248419495	426998169	/nfs/dbraw/zinc/99/81/69/426998169.db2.gz	LBPNEFIEPBRPIQ-XIRDDKMYSA-N	0	3	305.466	2.857	20	30		DFEDHN
CC(C)[C@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC12CCC2	ZINC000291828010	427000493	/nfs/dbraw/zinc/00/04/93/427000493.db2.gz	CVVFMXUVPDDWSJ-SJLPKXTDSA-N	0	3	314.429	2.808	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H]2CC[C@@H](C#N)C2)on1	ZINC000328827586	427000904	/nfs/dbraw/zinc/00/09/04/427000904.db2.gz	JOHQAMXARRPSJG-UGUYLWEFSA-N	0	3	320.412	2.520	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(C#N)ccc1F	ZINC000295570133	427011497	/nfs/dbraw/zinc/01/14/97/427011497.db2.gz	LKPLVDFPZDYTBK-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1	ZINC000182090796	427012720	/nfs/dbraw/zinc/01/27/20/427012720.db2.gz	JXAODACQXVXNBV-ZDUSSCGKSA-N	0	3	300.431	2.808	20	30		DFEDHN
C=C(C)CN1CCC([NH2+]Cc2cc(OC)c(OC)cc2[O-])CC1	ZINC000182187818	427022407	/nfs/dbraw/zinc/02/24/07/427022407.db2.gz	AGNGXODLOFIODO-UHFFFAOYSA-N	0	3	320.433	2.540	20	30		DFEDHN
C=CCn1c(N2CCN(C)[C@H](C(C)C)C2)nnc1C(C)(C)C	ZINC000337901923	427026512	/nfs/dbraw/zinc/02/65/12/427026512.db2.gz	JREOQKHGINZNQG-AWEZNQCLSA-N	0	3	305.470	2.538	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)c1ccc2nsnc2c1	ZINC000329084759	427039012	/nfs/dbraw/zinc/03/90/12/427039012.db2.gz	FYGNKYIQNMGNHK-NSHDSACASA-N	0	3	304.419	2.870	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000248789289	427041944	/nfs/dbraw/zinc/04/19/44/427041944.db2.gz	IQHQRWAXIACMEP-NVXWUHKLSA-N	0	3	301.434	2.724	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268530047	427045668	/nfs/dbraw/zinc/04/56/68/427045668.db2.gz	INWOJBIVGHVTSV-IBGZPJMESA-N	0	3	319.408	2.905	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3ccncc3)C2)cc1	ZINC000296076862	427066880	/nfs/dbraw/zinc/06/68/80/427066880.db2.gz	VRBJMFCJUQQTGF-MOPGFXCFSA-N	0	3	307.397	2.866	20	30		DFEDHN
Cc1ccccc1OCCN(C)C[C@H](O)c1ccc(C#N)cc1	ZINC000268615153	427067516	/nfs/dbraw/zinc/06/75/16/427067516.db2.gz	MDHQKIKTZWELAA-SFHVURJKSA-N	0	3	310.397	2.911	20	30		DFEDHN
CCCC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCCN2CC)C1	ZINC000329234139	427069870	/nfs/dbraw/zinc/06/98/70/427069870.db2.gz	MNNVJDDZEXYUGH-JKSUJKDBSA-N	0	3	323.481	2.856	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCCCO	ZINC000276467140	427075522	/nfs/dbraw/zinc/07/55/22/427075522.db2.gz	YHLYBECKYMFTLP-UHFFFAOYSA-N	0	3	301.308	2.641	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000268643587	427076556	/nfs/dbraw/zinc/07/65/56/427076556.db2.gz	NMXLUYOJDXUNEO-JKSUJKDBSA-N	0	3	303.402	2.922	20	30		DFEDHN
O=C(NC1CCN(C2CC2)CC1)c1cc2nc[nH]c2cc1F	ZINC000329268545	427078358	/nfs/dbraw/zinc/07/83/58/427078358.db2.gz	GQSBMIDQZSOHIA-UHFFFAOYSA-N	0	3	302.353	2.633	20	30		DFEDHN
O=C(CC1CCCC1)NCC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000329292015	427084847	/nfs/dbraw/zinc/08/48/47/427084847.db2.gz	NPNCXCNIKAOWOE-INIZCTEOSA-N	0	3	321.465	2.610	20	30		DFEDHN
CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)c1c(C)noc1C	ZINC000329322739	427090674	/nfs/dbraw/zinc/09/06/74/427090674.db2.gz	JQJDLZSTPPVWPK-ABAIWWIYSA-N	0	3	320.437	2.897	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1cc2nc[nH]c2cc1F	ZINC000329336021	427092890	/nfs/dbraw/zinc/09/28/90/427092890.db2.gz	XXSOEZOFBJHFQC-LLVKDONJSA-N	0	3	304.369	2.881	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1cc2[nH]cnc2cc1F	ZINC000329336021	427092896	/nfs/dbraw/zinc/09/28/96/427092896.db2.gz	XXSOEZOFBJHFQC-LLVKDONJSA-N	0	3	304.369	2.881	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292112309	427093777	/nfs/dbraw/zinc/09/37/77/427093777.db2.gz	HFOUPJNPLWPMQK-QGZVFWFLSA-N	0	3	309.369	2.615	20	30		DFEDHN
Cc1c(CNC(=O)N[C@H]2CCN(C3CC3)C2)oc2ccccc12	ZINC000329340303	427094424	/nfs/dbraw/zinc/09/44/24/427094424.db2.gz	RMMBFWGYFONWSP-ZDUSSCGKSA-N	0	3	313.401	2.982	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@H](C)NCc1cc(C#N)n(C)c1	ZINC000276614129	427114746	/nfs/dbraw/zinc/11/47/46/427114746.db2.gz	JHLSMITWYPYRGY-SJCJKPOMSA-N	0	3	301.365	2.902	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CCCC3CCOCC3)C2)nc1	ZINC000292168833	427115017	/nfs/dbraw/zinc/11/50/17/427115017.db2.gz	LQQYWKILKYEDTG-KRWDZBQOSA-N	0	3	315.417	2.613	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1	ZINC000249498956	427118697	/nfs/dbraw/zinc/11/86/97/427118697.db2.gz	HDSBCTXDGVZGIS-WBVHZDCISA-N	0	3	310.401	2.839	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)NC3CCCC3)C2)[nH]1	ZINC000329475782	427123421	/nfs/dbraw/zinc/12/34/21/427123421.db2.gz	PDRRKMUQUHPZME-WCQYABFASA-N	0	3	305.426	2.580	20	30		DFEDHN
Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1C1CCOCC1	ZINC000329485908	427125415	/nfs/dbraw/zinc/12/54/15/427125415.db2.gz	SUWOZMRTUJUTHQ-AWEZNQCLSA-N	0	3	306.410	2.506	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cnc(C)nc1C1CC1	ZINC000329212589	427064304	/nfs/dbraw/zinc/06/43/04/427064304.db2.gz	HYTUSMBZOIDNOT-AWEZNQCLSA-N	0	3	302.422	2.841	20	30		DFEDHN
CCN1CCC(Nc2ncc(Br)cc2C#N)CC1	ZINC000296288421	427136884	/nfs/dbraw/zinc/13/68/84/427136884.db2.gz	HRIGZKUFZWGERC-UHFFFAOYSA-N	0	3	309.211	2.612	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(CC)C[C@@H]1CCCO1	ZINC000250431702	427155157	/nfs/dbraw/zinc/15/51/57/427155157.db2.gz	IWNUJRRRSVOBFU-MSOLQXFVSA-N	0	3	319.445	2.656	20	30		DFEDHN
C[C@H]1CN(c2nc3c(cc2C#N)CCC3)CCN(C2CCC2)C1	ZINC000292201408	427130383	/nfs/dbraw/zinc/13/03/83/427130383.db2.gz	GSRKOOGWAWNWGZ-CQSZACIVSA-N	0	3	310.445	2.753	20	30		DFEDHN
O=C(NC1CCCCC1)NC1CCN(CCOC2CCC2)CC1	ZINC000329520109	427130540	/nfs/dbraw/zinc/13/05/40/427130540.db2.gz	ZYRGLZWMFQYCOA-UHFFFAOYSA-N	0	3	323.481	2.856	20	30		DFEDHN
C=CCC1(C(=O)NCc2ccccc2OCCN(C)C)CCC1	ZINC000190701057	427162640	/nfs/dbraw/zinc/16/26/40/427162640.db2.gz	BYALNFKHNONICA-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C)nc2OCC)CC1	ZINC000277348230	427173850	/nfs/dbraw/zinc/17/38/50/427173850.db2.gz	XAVULFVRKSRDIR-UHFFFAOYSA-N	0	3	317.433	2.559	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000277375942	427183394	/nfs/dbraw/zinc/18/33/94/427183394.db2.gz	JIUYQZOYDVNVRN-LJQANCHMSA-N	0	3	310.441	2.849	20	30		DFEDHN
N#Cc1ccc(CNCCCNC(=O)c2cccs2)c(F)c1	ZINC000269390813	427185397	/nfs/dbraw/zinc/18/53/97/427185397.db2.gz	CNYDFDOIBDBYOW-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
Cc1nccn1-c1ccc(CNCc2cc(C#N)n(C)c2)cc1F	ZINC000190870284	427192368	/nfs/dbraw/zinc/19/23/68/427192368.db2.gz	SKCPSLRJCBBUEQ-UHFFFAOYSA-N	0	3	323.375	2.820	20	30		DFEDHN
Cc1nc(N2C[C@@H](N3CCCC3)C[C@H]2C)c(Cl)cc1C#N	ZINC000292540618	427193447	/nfs/dbraw/zinc/19/34/47/427193447.db2.gz	IHDOXFBDJBRSMZ-RISCZKNCSA-N	0	3	304.825	2.978	20	30		DFEDHN
Cc1ccc([C@@H](CNCc2cc(C#N)n(C)c2)N2CCCC2)o1	ZINC000190921760	427205300	/nfs/dbraw/zinc/20/53/00/427205300.db2.gz	JBUYDNFIFOFAJM-QGZVFWFLSA-N	0	3	312.417	2.725	20	30		DFEDHN
O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCN1C1CCCC1	ZINC000338243446	427209287	/nfs/dbraw/zinc/20/92/87/427209287.db2.gz	AOGKYFQSUGDHOD-GOSISDBHSA-N	0	3	314.404	2.700	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2scnc2CC)CC1	ZINC000269510236	427212520	/nfs/dbraw/zinc/21/25/20/427212520.db2.gz	FCYBFZLVDWMTAE-UHFFFAOYSA-N	0	3	308.451	2.868	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)/C=C\c2cccc(C#N)c2)cc1	ZINC000255128995	427242195	/nfs/dbraw/zinc/24/21/95/427242195.db2.gz	PONZAPNESSETGW-KHPPLWFESA-N	0	3	319.408	2.949	20	30		DFEDHN
CC(C)c1ccoc1C(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000330472652	427248080	/nfs/dbraw/zinc/24/80/80/427248080.db2.gz	PMPJJQHSTVGYKF-CQSZACIVSA-N	0	3	308.422	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2nccs2)CC1	ZINC000183344993	427251803	/nfs/dbraw/zinc/25/18/03/427251803.db2.gz	ZMFINWDCUWQZJT-ZDUSSCGKSA-N	0	3	322.478	2.586	20	30		DFEDHN
CCc1c(C(=O)N[C@H]2CCCN(CC)C2)cnn1C(C)(C)C	ZINC000330538239	427260230	/nfs/dbraw/zinc/26/02/30/427260230.db2.gz	LERBMSQHAPHHJM-ZDUSSCGKSA-N	0	3	306.454	2.989	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285538677	427267837	/nfs/dbraw/zinc/26/78/37/427267837.db2.gz	QIBPNXCIAPYDHK-HNNXBMFYSA-N	0	3	318.392	2.868	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H]1CCOC[C@H]1C	ZINC000277645987	427271997	/nfs/dbraw/zinc/27/19/97/427271997.db2.gz	ZUCOOEFGLTVAEZ-KGLIPLIRSA-N	0	3	320.458	2.918	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000285564624	427273165	/nfs/dbraw/zinc/27/31/65/427273165.db2.gz	RXEVBZOXNOMWEJ-AAEUAGOBSA-N	0	3	303.793	2.520	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2ncc(Br)cc2C#N)CCN1C	ZINC000296994926	427300185	/nfs/dbraw/zinc/30/01/85/427300185.db2.gz	FNTYKTJNVUJNDG-MFKMUULPSA-N	0	3	323.238	2.635	20	30		DFEDHN
CN(C)c1cc(CNCc2cc(C#N)n(C)c2)c2ccccc2n1	ZINC000191254160	427300197	/nfs/dbraw/zinc/30/01/97/427300197.db2.gz	ZQVUQUTYDDDCPV-UHFFFAOYSA-N	0	3	319.412	2.801	20	30		DFEDHN
CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	ZINC000330914968	427313311	/nfs/dbraw/zinc/31/33/11/427313311.db2.gz	TWXBTHOVVORGJO-ZWNOBZJWSA-N	0	3	307.369	2.571	20	30		DFEDHN
CSc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1C	ZINC000330969164	427320980	/nfs/dbraw/zinc/32/09/80/427320980.db2.gz	MCCKZEGNKFHTGV-UHFFFAOYSA-N	0	3	310.467	2.569	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C	ZINC000330972763	427321761	/nfs/dbraw/zinc/32/17/61/427321761.db2.gz	NIGKSUVTHUYAKX-GWCFXTLKSA-N	0	3	324.356	2.694	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000330992572	427325349	/nfs/dbraw/zinc/32/53/49/427325349.db2.gz	NIVOKQYOMVICBR-GXTWGEPZSA-N	0	3	321.469	2.557	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000277811738	427328004	/nfs/dbraw/zinc/32/80/04/427328004.db2.gz	PNDAPVMZXBVYBA-NEPJUHHUSA-N	0	3	317.355	2.935	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000331057010	427332819	/nfs/dbraw/zinc/33/28/19/427332819.db2.gz	QEVNANQMWUPQBD-XIRDDKMYSA-N	0	3	323.481	2.734	20	30		DFEDHN
Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000331048003	427333586	/nfs/dbraw/zinc/33/35/86/427333586.db2.gz	JKEJTFXAPYNRPU-GXSJLCMTSA-N	0	3	318.343	2.541	20	30		DFEDHN
CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000191389859	427338223	/nfs/dbraw/zinc/33/82/23/427338223.db2.gz	ROGBEMLQXHBIJF-JKSUJKDBSA-N	0	3	315.417	2.680	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1	ZINC000270375701	427338534	/nfs/dbraw/zinc/33/85/34/427338534.db2.gz	FBOHUDNSVRGLCM-WBAXXEDZSA-N	0	3	311.429	2.533	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1	ZINC000270392016	427343157	/nfs/dbraw/zinc/34/31/57/427343157.db2.gz	XUSQVRSFFUQVJO-SQNIBIBYSA-N	0	3	311.429	2.629	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nn2cc(C)nc2s1)C(C)C	ZINC000338388816	427294443	/nfs/dbraw/zinc/29/44/43/427294443.db2.gz	XGMCESCFXLZRSZ-CQSZACIVSA-N	0	3	319.478	3.210	20	30		DFEDHN
CC(C)Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc(=O)[nH]1	ZINC000330717525	427295034	/nfs/dbraw/zinc/29/50/34/427295034.db2.gz	UYIDOHJFJJTPKO-GXTWGEPZSA-N	0	3	305.422	2.773	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n([C@@H](C)CC)n2)CC1	ZINC000330725990	427295638	/nfs/dbraw/zinc/29/56/38/427295638.db2.gz	FCIGPHQFDWHLOV-ZDUSSCGKSA-N	0	3	304.438	2.543	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@](C)(CO)C1CCCCC1	ZINC000271071687	427395254	/nfs/dbraw/zinc/39/52/54/427395254.db2.gz	VVIBUUQDPXDEOW-SFHVURJKSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cc1nc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)sc1C	ZINC000331325656	427397599	/nfs/dbraw/zinc/39/75/99/427397599.db2.gz	OIQYEHMTKGSCRN-ZDUSSCGKSA-N	0	3	324.494	2.884	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1F	ZINC000270435407	427356905	/nfs/dbraw/zinc/35/69/05/427356905.db2.gz	JYVQYBJGQUMTRX-WMLDXEAASA-N	0	3	304.365	2.909	20	30		DFEDHN
CCN(Cc1cc(C#N)n(C)c1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000191495543	427361160	/nfs/dbraw/zinc/36/11/60/427361160.db2.gz	BTBAMVGZPMTMPQ-IBGZPJMESA-N	0	3	322.456	2.993	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1	ZINC000270497601	427361851	/nfs/dbraw/zinc/36/18/51/427361851.db2.gz	YIFWTLKRHFEDIW-ZVZYQTTQSA-N	0	3	311.429	2.675	20	30		DFEDHN
CC(C)(O)[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000331177327	427365539	/nfs/dbraw/zinc/36/55/39/427365539.db2.gz	FVAGUEGPFYNYAO-CVEARBPZSA-N	0	3	300.402	2.521	20	30		DFEDHN
CC(C)(C)[C@H](CO)NCc1ccc(C#N)cc1Br	ZINC000278794844	427455605	/nfs/dbraw/zinc/45/56/05/427455605.db2.gz	OHAHGJRUVOONEO-ZDUSSCGKSA-N	0	3	311.223	2.817	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000278840149	427472024	/nfs/dbraw/zinc/47/20/24/427472024.db2.gz	WALYBHSGGSISEL-KBAYOESNSA-N	0	3	316.445	2.604	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1	ZINC000297652225	427421290	/nfs/dbraw/zinc/42/12/90/427421290.db2.gz	ZYACCGRZYHFLGU-MRXNPFEDSA-N	0	3	317.433	2.780	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H](O)Cc3ccc(F)cc3)CC2)c1	ZINC000293761646	427428454	/nfs/dbraw/zinc/42/84/54/427428454.db2.gz	JZIPIPZEIDXQJL-SFHVURJKSA-N	0	3	310.372	2.880	20	30		DFEDHN
Cn1cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cc1C#N	ZINC000278883775	427487155	/nfs/dbraw/zinc/48/71/55/427487155.db2.gz	ZXDKCZRGVNLIJX-OAHLLOKOSA-N	0	3	307.756	2.512	20	30		DFEDHN
Cc1cnc([C@H](C)CNCc2cnc3ccc(C#N)cn23)s1	ZINC000184344997	427444518	/nfs/dbraw/zinc/44/45/18/427444518.db2.gz	YKVZKXAVJXOSJL-LLVKDONJSA-N	0	3	311.414	2.864	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CC[C@@H](N2CCCCC2)C1	ZINC000338799412	427497435	/nfs/dbraw/zinc/49/74/35/427497435.db2.gz	HTNGYIRYKBNTBU-MRXNPFEDSA-N	0	3	315.465	2.796	20	30		DFEDHN
N#Cc1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1F	ZINC000192207363	427503393	/nfs/dbraw/zinc/50/33/93/427503393.db2.gz	NXQNHKKDPOMWOM-HOTGVXAUSA-N	0	3	316.401	2.967	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H](COC)[C@@H]2CCCO2)cc1	ZINC000278930679	427503781	/nfs/dbraw/zinc/50/37/81/427503781.db2.gz	XKMKSVMSXRNLRW-WBAXXEDZSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=CCN(C(=O)N[C@H](Cc1ccccc1)CN(C)C)C1CC1	ZINC000271366927	427509332	/nfs/dbraw/zinc/50/93/32/427509332.db2.gz	GHOBANMSWXAFBA-MRXNPFEDSA-N	0	3	301.434	2.519	20	30		DFEDHN
Cc1nsc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1C#N	ZINC000286400987	427516072	/nfs/dbraw/zinc/51/60/72/427516072.db2.gz	ZMOJIXIYUQJDMY-LSDHHAIUSA-N	0	3	320.462	2.503	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN[C@@H]1CCc2c1cccc2O	ZINC000298092984	427519470	/nfs/dbraw/zinc/51/94/70/427519470.db2.gz	IHKPEJDSIIKOCA-QGZVFWFLSA-N	0	3	321.380	2.870	20	30		DFEDHN
CCc1nnc(N2C[C@H](N3CCCC3)C[C@H]2C)c(C#N)c1CC	ZINC000286427845	427526098	/nfs/dbraw/zinc/52/60/98/427526098.db2.gz	RPSCCLPTKMKWNC-ZIAGYGMSSA-N	0	3	313.449	2.536	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCc2ccc(NC(C)=O)nc2)cc1	ZINC000279020659	427532700	/nfs/dbraw/zinc/53/27/00/427532700.db2.gz	HPIVKCUFSBPFDJ-AWEZNQCLSA-N	0	3	323.396	2.903	20	30		DFEDHN
C=CCCOCCN[C@@H](C)c1cccc(N2CCOCC2)c1	ZINC000271466197	427549469	/nfs/dbraw/zinc/54/94/69/427549469.db2.gz	HXMXARZVGCHCFR-INIZCTEOSA-N	0	3	304.434	2.767	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC(c2cc(C)n[nH]2)CC1	ZINC000332453063	427613970	/nfs/dbraw/zinc/61/39/70/427613970.db2.gz	MQMKOTZBTNOPEZ-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
C=CCOCCN1CCC(c2nc(-c3ccccn3)no2)CC1	ZINC000338952457	427585751	/nfs/dbraw/zinc/58/57/51/427585751.db2.gz	BXBJSDZVTFIDLC-UHFFFAOYSA-N	0	3	314.389	2.514	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](OCCOC)C2)c1	ZINC000338953607	427585842	/nfs/dbraw/zinc/58/58/42/427585842.db2.gz	SHVVUYGXXBWJIJ-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)/C=C/c3ccccc3C#N)C2)C1	ZINC000294223376	427591038	/nfs/dbraw/zinc/59/10/38/427591038.db2.gz	RDUOMAUHLYETPB-IHHMQQGQSA-N	0	3	309.413	2.516	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@]2(C)[C@H](C1)C2(F)F	ZINC000298386402	427591327	/nfs/dbraw/zinc/59/13/27/427591327.db2.gz	VVDJPDUJELMDLZ-JKSUJKDBSA-N	0	3	322.355	2.923	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)c(Br)c1	ZINC000279219753	427602713	/nfs/dbraw/zinc/60/27/13/427602713.db2.gz	HVYHFCLQJZHJSG-DOMZBBRYSA-N	0	3	323.234	2.961	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000298437334	427610605	/nfs/dbraw/zinc/61/06/05/427610605.db2.gz	GUKKYLPRYHHWKU-XBFCOCLRSA-N	0	3	303.431	2.893	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1	ZINC000339011869	427625445	/nfs/dbraw/zinc/62/54/45/427625445.db2.gz	UVJMBQZYYURQMP-SOLBZPMBSA-N	0	3	311.429	2.821	20	30		DFEDHN
C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@H]1C	ZINC000298533890	427641958	/nfs/dbraw/zinc/64/19/58/427641958.db2.gz	VVPSIAJGESKQJL-KFWWJZLASA-N	0	3	311.429	2.925	20	30		DFEDHN
C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N1[C@H](C)CC[C@@H]1C	ZINC000298533897	427642756	/nfs/dbraw/zinc/64/27/56/427642756.db2.gz	VVPSIAJGESKQJL-ZNMIVQPWSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1ccccc1Br	ZINC000298555430	427647856	/nfs/dbraw/zinc/64/78/56/427647856.db2.gz	ZFHWYAKNIWCMGX-UHFFFAOYSA-N	0	3	309.207	2.733	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCCCCC2)cc1	ZINC000339056465	427652112	/nfs/dbraw/zinc/65/21/12/427652112.db2.gz	MAXAAWOFZKXFQH-UHFFFAOYSA-N	0	3	302.418	2.857	20	30		DFEDHN
C=CCOCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000339062856	427654586	/nfs/dbraw/zinc/65/45/86/427654586.db2.gz	NFXAHSLXMOJPPO-CYBMUJFWSA-N	0	3	316.323	2.756	20	30		DFEDHN
Cc1nn(C)c(C)c1C[C@@H](C)NCc1ccc(C#N)cc1F	ZINC000344710773	272359252	/nfs/dbraw/zinc/35/92/52/272359252.db2.gz	GXVBTFHPXARBLI-LLVKDONJSA-N	0	3	300.381	2.769	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCc1ccc(C#N)cc1	ZINC000344717544	272360464	/nfs/dbraw/zinc/36/04/64/272360464.db2.gz	RJTFMONWFHVBFZ-HNNXBMFYSA-N	0	3	313.445	2.680	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCOC3(CCOCC3)C2)c(F)c1	ZINC000344833252	272375285	/nfs/dbraw/zinc/37/52/85/272375285.db2.gz	FEQZOFYEAGBVGN-OAHLLOKOSA-N	0	3	304.365	2.515	20	30		DFEDHN
COC(=O)COc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1	ZINC000185651885	427686466	/nfs/dbraw/zinc/68/64/66/427686466.db2.gz	OTVLCBSVQJJWJG-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
Cc1occc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279506519	427689481	/nfs/dbraw/zinc/68/94/81/427689481.db2.gz	KOEVSQLWNOUZRC-KRWDZBQOSA-N	0	3	307.353	2.801	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)COCC(C)C	ZINC000298787994	427704670	/nfs/dbraw/zinc/70/46/70/427704670.db2.gz	QEXMMRBDPCZWNE-KRWDZBQOSA-N	0	3	307.434	2.717	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F	ZINC000339315252	427754792	/nfs/dbraw/zinc/75/47/92/427754792.db2.gz	MEUNKXMDEYLGOE-BDAKNGLRSA-N	0	3	313.170	2.795	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C#N	ZINC000336860885	427764288	/nfs/dbraw/zinc/76/42/88/427764288.db2.gz	VVZPGFPXFGDEOW-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
COC(C)(C)CCN1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000336862432	427765072	/nfs/dbraw/zinc/76/50/72/427765072.db2.gz	JEIAVANEKIFAAX-KRWDZBQOSA-N	0	3	301.434	2.684	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccccc1	ZINC000336875182	427769634	/nfs/dbraw/zinc/76/96/34/427769634.db2.gz	BRTOLTIOFVUCAP-INIZCTEOSA-N	0	3	311.385	2.964	20	30		DFEDHN
N#Cc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1	ZINC000339419555	427771340	/nfs/dbraw/zinc/77/13/40/427771340.db2.gz	CCGHBQLEGBZKSK-UHFFFAOYSA-N	0	3	307.397	2.685	20	30		DFEDHN
CCNC(=O)[C@@H](NCc1cccc(OCCCC#N)c1)C(C)C	ZINC000339430859	427774288	/nfs/dbraw/zinc/77/42/88/427774288.db2.gz	BYUKPQBHOGBDAI-KRWDZBQOSA-N	0	3	317.433	2.619	20	30		DFEDHN
CN(C)[C@H](CNc1nc2ccccn2c1C#N)Cc1ccccc1	ZINC000301156468	427779537	/nfs/dbraw/zinc/77/95/37/427779537.db2.gz	NMWGRVDTPBDWRH-INIZCTEOSA-N	0	3	319.412	2.791	20	30		DFEDHN
Cc1nnc(N2CCN(C3CCC(C)CC3)CC2)c(C#N)c1C	ZINC000301282546	427786943	/nfs/dbraw/zinc/78/69/43/427786943.db2.gz	KPBDDRVQCQFZDK-UHFFFAOYSA-N	0	3	313.449	2.666	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1	ZINC000288001809	427726568	/nfs/dbraw/zinc/72/65/68/427726568.db2.gz	BNVRKEFYPYTJHK-HNAYVOBHSA-N	0	3	319.408	2.951	20	30		DFEDHN
CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000186030413	427742769	/nfs/dbraw/zinc/74/27/69/427742769.db2.gz	CFWTWGCEKNHRQE-GOSISDBHSA-N	0	3	322.412	2.623	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CCCCC1	ZINC000194588682	427749193	/nfs/dbraw/zinc/74/91/93/427749193.db2.gz	JWMLWDUZCLKDLA-CQSZACIVSA-N	0	3	300.406	2.863	20	30		DFEDHN
CC[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CCOC	ZINC000301427873	427795761	/nfs/dbraw/zinc/79/57/61/427795761.db2.gz	URILRAFNKGOBOW-AWEZNQCLSA-N	0	3	307.825	2.759	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@H]2CCCc3cc(OC)ccc32)C1=O	ZINC000337140200	427805204	/nfs/dbraw/zinc/80/52/04/427805204.db2.gz	QUENXWXMRGPTCR-ZWKOTPCHSA-N	0	3	314.429	2.791	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@H](OCC)C2(CC)CC)C1=O	ZINC000337156197	427807222	/nfs/dbraw/zinc/80/72/22/427807222.db2.gz	ABXRTFMQEYQDAT-JYJNAYRXSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)[C@@H]2C[C@@H](OCC)C2(C)C)C1=O	ZINC000337176326	427810091	/nfs/dbraw/zinc/81/00/91/427810091.db2.gz	JHDRQTSMXGQBLO-ARFHVFGLSA-N	0	3	308.466	2.689	20	30		DFEDHN
CCc1nnc(NCCN2CCCC[C@@H]2C)c(C#N)c1CC	ZINC000301619545	427810158	/nfs/dbraw/zinc/81/01/58/427810158.db2.gz	LWNHNYMKKFDKGI-ZDUSSCGKSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)[C@H]2C[C@H](OCC)C2(C)C)C1=O	ZINC000337176328	427810664	/nfs/dbraw/zinc/81/06/64/427810664.db2.gz	JHDRQTSMXGQBLO-JYJNAYRXSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H](OCCCC)C2(C)C)C1=O	ZINC000337185305	427811091	/nfs/dbraw/zinc/81/10/91/427811091.db2.gz	OUJVNPVJVXFZQF-ARFHVFGLSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N(C[C@H]2CCCO2)C2CCC(C)CC2)C1=O	ZINC000337189124	427812325	/nfs/dbraw/zinc/81/23/25/427812325.db2.gz	QWZVAMCWOQIJAG-HIEASXQVSA-N	0	3	320.477	2.833	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301658341	427813478	/nfs/dbraw/zinc/81/34/78/427813478.db2.gz	SPEJMRSMQHTACS-AWEZNQCLSA-N	0	3	317.393	2.928	20	30		DFEDHN
N#Cc1c(F)cccc1N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000301727764	427820144	/nfs/dbraw/zinc/82/01/44/427820144.db2.gz	BKQAGQUDAWUPRT-OAHLLOKOSA-N	0	3	317.408	2.779	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CCCCOc2ccccc2)C1=O	ZINC000337238563	427820618	/nfs/dbraw/zinc/82/06/18/427820618.db2.gz	ZLNLVWHEQQRXBL-KRWDZBQOSA-N	0	3	302.418	2.564	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c(C#N)c(C)n1	ZINC000301782302	427823391	/nfs/dbraw/zinc/82/33/91/427823391.db2.gz	NNCIYRLRFFQBQV-GJZGRUSLSA-N	0	3	316.449	2.871	20	30		DFEDHN
OC[C@@]1([C@@H](NCC#Cc2cccc(Cl)c2)C2CC2)CCCO1	ZINC000339762623	427823717	/nfs/dbraw/zinc/82/37/17/427823717.db2.gz	UXHBJQQLSZFRIK-ZWKOTPCHSA-N	0	3	319.832	2.601	20	30		DFEDHN
CCCN(C)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000355637154	427835498	/nfs/dbraw/zinc/83/54/98/427835498.db2.gz	LJKKLKCHHZCXRZ-CYBMUJFWSA-N	0	3	313.323	2.728	20	30		DFEDHN
CN1CCC[C@H](CNc2ccc(C#N)nn2)[C@@H]1c1cccs1	ZINC000301892592	427835621	/nfs/dbraw/zinc/83/56/21/427835621.db2.gz	AFINNZLNSIRRHZ-MLGOLLRUSA-N	0	3	313.430	2.905	20	30		DFEDHN
CCC[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1CCOC	ZINC000301916434	427840115	/nfs/dbraw/zinc/84/01/15/427840115.db2.gz	JDBSEBPJSQSXDX-CYBMUJFWSA-N	0	3	322.840	2.544	20	30		DFEDHN
CC(C)[C@@H](CNc1ccc(C#N)nn1)N1CCc2ccccc2C1	ZINC000301925606	427841667	/nfs/dbraw/zinc/84/16/67/427841667.db2.gz	MRDCFPQCJCZIGQ-GOSISDBHSA-N	0	3	321.428	2.843	20	30		DFEDHN
COc1cccc([C@@H](CNc2ccc(C)c(C#N)n2)N(C)C)c1	ZINC000302733777	427860413	/nfs/dbraw/zinc/86/04/13/427860413.db2.gz	XZNRAVLXKFNLMW-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
COc1cccc([C@H](CNc2ccc(C)c(C#N)n2)N(C)C)c1	ZINC000302733776	427861186	/nfs/dbraw/zinc/86/11/86/427861186.db2.gz	XZNRAVLXKFNLMW-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000337360335	427862887	/nfs/dbraw/zinc/86/28/87/427862887.db2.gz	GWUIBVPLRQXQRW-QWRGUYRKSA-N	0	3	301.321	2.833	20	30		DFEDHN
C[C@@H](CNC(=O)Cc1c(F)cccc1C#N)N1CCCC[C@@H]1C	ZINC000349871227	427884407	/nfs/dbraw/zinc/88/44/07/427884407.db2.gz	DRFJDQZATVRXDO-KBPBESRZSA-N	0	3	317.408	2.619	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CCCOC2)C1	ZINC000355784166	427890722	/nfs/dbraw/zinc/89/07/22/427890722.db2.gz	OHTYAOFVVRZDJS-SJLPKXTDSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@H]2C)CC1	ZINC000350025617	427923794	/nfs/dbraw/zinc/92/37/94/427923794.db2.gz	GHNCFLOWTGTSRZ-KDOFPFPSSA-N	0	3	313.445	2.870	20	30		DFEDHN
CC[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C#N)n1	ZINC000302719716	427859279	/nfs/dbraw/zinc/85/92/79/427859279.db2.gz	KTYPZRUQLOZOBE-LBPRGKRZSA-N	0	3	303.366	2.538	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000350711736	427966035	/nfs/dbraw/zinc/96/60/35/427966035.db2.gz	NQVZNQPNTLKECF-CVEARBPZSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000350706847	427967378	/nfs/dbraw/zinc/96/73/78/427967378.db2.gz	GPCHASRMBAAIDS-MRXNPFEDSA-N	0	3	317.481	2.726	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000350740795	427968354	/nfs/dbraw/zinc/96/83/54/427968354.db2.gz	HUNKTEALBRIRCV-KGLIPLIRSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@@H](CC(F)F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000413181956	427983069	/nfs/dbraw/zinc/98/30/69/427983069.db2.gz	RGGDPCWFWXEGKV-ZDUSSCGKSA-N	0	3	323.387	2.740	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC#Cc1ccccc1	ZINC000341106227	427989260	/nfs/dbraw/zinc/98/92/60/427989260.db2.gz	WDARDOXNWBXSBP-IAGOWNOFSA-N	0	3	313.445	2.600	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000356115409	428028032	/nfs/dbraw/zinc/02/80/32/428028032.db2.gz	IWTLMAOIWPBNBX-WMZOPIPTSA-N	0	3	313.445	2.874	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369705610	428039622	/nfs/dbraw/zinc/03/96/22/428039622.db2.gz	ZOPYJXDWRRSVRW-MSOLQXFVSA-N	0	3	323.396	2.807	20	30		DFEDHN
C=C(CC)CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000341364772	428045765	/nfs/dbraw/zinc/04/57/65/428045765.db2.gz	JRDTVLWTACQTOB-AWEZNQCLSA-N	0	3	302.418	2.961	20	30		DFEDHN
N#Cc1cccc(CNC(=O)[C@H]2CCCCN2C2CCCC2)c1	ZINC000377055873	428047278	/nfs/dbraw/zinc/04/72/78/428047278.db2.gz	IFOUXYXLHAQXHX-GOSISDBHSA-N	0	3	311.429	2.972	20	30		DFEDHN
C[C@H](Nc1ccn(C2CCN(C)CC2)n1)c1ccc(C#N)cc1	ZINC000369738208	428048282	/nfs/dbraw/zinc/04/82/82/428048282.db2.gz	WMQYOFXIXSGIKZ-AWEZNQCLSA-N	0	3	309.417	3.195	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1	ZINC000359869286	428054028	/nfs/dbraw/zinc/05/40/28/428054028.db2.gz	KZZVROGWTCVRPR-HOCLYGCPSA-N	0	3	320.408	2.752	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C2(C#N)CCCC2)[C@H]1c1cccs1	ZINC000369571690	428003020	/nfs/dbraw/zinc/00/30/20/428003020.db2.gz	YCLXRSKCANWQLY-HIFRSBDPSA-N	0	3	317.458	2.941	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@H](C(C)C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413256612	428003607	/nfs/dbraw/zinc/00/36/07/428003607.db2.gz	CZYZNAAYHHYPNB-INIZCTEOSA-N	0	3	302.378	2.551	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccs1	ZINC000369570256	428004267	/nfs/dbraw/zinc/00/42/67/428004267.db2.gz	QLHCFQKUAFSWSX-JSGCOSHPSA-N	0	3	303.431	2.551	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)n(C)c2)C1	ZINC000359771763	428013154	/nfs/dbraw/zinc/01/31/54/428013154.db2.gz	VQFRZULZGFIZAI-YJBOKZPZSA-N	0	3	308.429	2.822	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nccn2nc(C)cc12)C(C)C	ZINC000356192939	428061699	/nfs/dbraw/zinc/06/16/99/428061699.db2.gz	OWZLZAIYIQYCQT-KRWDZBQOSA-N	0	3	313.449	3.148	20	30		DFEDHN
C=CCCC1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1	ZINC000356216534	428072162	/nfs/dbraw/zinc/07/21/62/428072162.db2.gz	YXVABZFPJGLYOG-UHFFFAOYSA-N	0	3	312.457	2.948	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1OC	ZINC000346326468	428127659	/nfs/dbraw/zinc/12/76/59/428127659.db2.gz	IABXTCNFEZBPRJ-YESZJQIVSA-N	0	3	317.429	2.853	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000351414448	428087455	/nfs/dbraw/zinc/08/74/55/428087455.db2.gz	NMYYWHMRZFWMAO-GXFFZTMASA-N	0	3	309.291	2.555	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(C#N)c1	ZINC000351505743	428096150	/nfs/dbraw/zinc/09/61/50/428096150.db2.gz	CNTQUDMKOVEAHV-ZDUSSCGKSA-N	0	3	300.406	2.752	20	30		DFEDHN
CC(C)c1nccn1C[C@@H]1CCCN1Cc1cc(C#N)n(C)c1	ZINC000377293717	428099449	/nfs/dbraw/zinc/09/94/49/428099449.db2.gz	WFBAESBECXTXID-INIZCTEOSA-N	0	3	311.433	2.881	20	30		DFEDHN
C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(C)C2)c1cccc(C#N)c1	ZINC000356282391	428102719	/nfs/dbraw/zinc/10/27/19/428102719.db2.gz	PLKNTNMHYGGJGH-BEFAXECRSA-N	0	3	311.429	2.606	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCc3c[nH]nc3C2)c1Cl	ZINC000377388817	428118584	/nfs/dbraw/zinc/11/85/84/428118584.db2.gz	FPUJMLPDXKKOJY-LLVKDONJSA-N	0	3	304.756	2.721	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000370070324	428125104	/nfs/dbraw/zinc/12/51/04/428125104.db2.gz	ABLXWNYXYHTESA-UHFFFAOYSA-N	0	3	316.380	2.789	20	30		DFEDHN
COc1ccc(CNCc2cccc(-c3nc[nH]n3)c2)cc1C#N	ZINC000360039839	428131054	/nfs/dbraw/zinc/13/10/54/428131054.db2.gz	ZIPGXLHPYLSALO-UHFFFAOYSA-N	0	3	319.368	2.642	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN1CCCC1	ZINC000413821065	428142000	/nfs/dbraw/zinc/14/20/00/428142000.db2.gz	IGTZTCFDMRARHP-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCC(C)CC1	ZINC000346378890	428146987	/nfs/dbraw/zinc/14/69/87/428146987.db2.gz	SGSNIRYDTCQMKT-INIZCTEOSA-N	0	3	313.445	2.727	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1	ZINC000346416917	428162273	/nfs/dbraw/zinc/16/22/73/428162273.db2.gz	SQEKIOGXWFKCOA-OKZBNKHCSA-N	0	3	311.429	2.627	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1	ZINC000346416915	428163566	/nfs/dbraw/zinc/16/35/66/428163566.db2.gz	SQEKIOGXWFKCOA-KZNAEPCWSA-N	0	3	311.429	2.627	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(F)c1C#N	ZINC000377741159	428215159	/nfs/dbraw/zinc/21/51/59/428215159.db2.gz	LYPZOBREASSRMC-CPUCHLNUSA-N	0	3	317.408	2.999	20	30		DFEDHN
Cc1ccccc1[C@H](CN1CCOCC1)NCC(C)(C)CC#N	ZINC000414161922	428221872	/nfs/dbraw/zinc/22/18/72/428221872.db2.gz	GJRHSUUOBRQMBY-SFHVURJKSA-N	0	3	315.461	2.898	20	30		DFEDHN
COCC1(C#N)CCN(CCCOc2ccc(OC)cc2)CC1	ZINC000341987386	428270055	/nfs/dbraw/zinc/27/00/55/428270055.db2.gz	GQRHGMVGPDVYBF-UHFFFAOYSA-N	0	3	318.417	2.716	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(C3CC3)C2)c(C(F)(F)F)c1	ZINC000352836405	428273694	/nfs/dbraw/zinc/27/36/94/428273694.db2.gz	TUCFSKZBGCTDJY-CYBMUJFWSA-N	0	3	309.335	2.903	20	30		DFEDHN
C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)c(F)c1	ZINC000414248468	428242691	/nfs/dbraw/zinc/24/26/91/428242691.db2.gz	DKJWHRHXBCDNER-NSHDSACASA-N	0	3	312.410	2.561	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](Cc2ccncc2)C1	ZINC000360341077	428259098	/nfs/dbraw/zinc/25/90/98/428259098.db2.gz	CPLWYDUHHSLYKE-QGZVFWFLSA-N	0	3	307.397	2.897	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CCC1	ZINC000370636788	428260103	/nfs/dbraw/zinc/26/01/03/428260103.db2.gz	USOKONBRCCXXEO-YESZJQIVSA-N	0	3	320.477	2.738	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3cccc(C#N)c3F)C[C@H]1CCCC2	ZINC000342124483	428309688	/nfs/dbraw/zinc/30/96/88/428309688.db2.gz	PAJKBAZXWVQVLT-CRAIPNDOSA-N	0	3	316.376	2.863	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(c3nccs3)CC2)cc1	ZINC000378149218	428321354	/nfs/dbraw/zinc/32/13/54/428321354.db2.gz	ZMIHIPFIOALRCJ-INIZCTEOSA-N	0	3	313.426	2.928	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(C#N)c1	ZINC000370916467	428321964	/nfs/dbraw/zinc/32/19/64/428321964.db2.gz	HWHILVVDPJYMND-MOPGFXCFSA-N	0	3	319.408	2.906	20	30		DFEDHN
COc1ccc(CCN(CC(C)C)C(=O)C(C)C#N)cc1OC	ZINC000346822289	428332881	/nfs/dbraw/zinc/33/28/81/428332881.db2.gz	LZQANHYRYBRBHT-AWEZNQCLSA-N	0	3	318.417	2.891	20	30		DFEDHN
C=CCCN(C)C(=O)CCN1CCN(c2cccc(C)c2)CC1	ZINC000346830602	428336855	/nfs/dbraw/zinc/33/68/55/428336855.db2.gz	XAMMTUSTZMVODA-UHFFFAOYSA-N	0	3	315.461	2.542	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1cccc2ccccc21	ZINC000360568804	428352459	/nfs/dbraw/zinc/35/24/59/428352459.db2.gz	RPVZGSBNNVYODE-LRDDRELGSA-N	0	3	310.353	2.720	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CCSC)C(=O)N(C)C)cc1	ZINC000342318687	428402273	/nfs/dbraw/zinc/40/22/73/428402273.db2.gz	IFWCOOIJIBFOMK-INIZCTEOSA-N	0	3	322.474	2.551	20	30		DFEDHN
CN(C(=O)[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2)C1CC1	ZINC000378467526	428403462	/nfs/dbraw/zinc/40/34/62/428403462.db2.gz	UDUBAXHXWUCQGX-GOSISDBHSA-N	0	3	323.440	2.781	20	30		DFEDHN
C[C@@H]1COCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000371106075	428358639	/nfs/dbraw/zinc/35/86/39/428358639.db2.gz	INVNGGQLEJQWHP-LBPRGKRZSA-N	0	3	321.808	2.509	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1	ZINC000347029802	428413217	/nfs/dbraw/zinc/41/32/17/428413217.db2.gz	BKMGEHQBOWPCJW-NSHDSACASA-N	0	3	304.777	2.921	20	30		DFEDHN
N#CCSCCCN1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000360627825	428374583	/nfs/dbraw/zinc/37/45/83/428374583.db2.gz	DBRZWUMJVYLLQV-UHFFFAOYSA-N	0	3	322.449	2.842	20	30		DFEDHN
C=CCc1cc(CN[C@H]2CCO[C@H]2C2CC2)cc(OC)c1O	ZINC000371220287	428378838	/nfs/dbraw/zinc/37/88/38/428378838.db2.gz	PWWODSGRGVWAPF-YJBOKZPZSA-N	0	3	303.402	2.786	20	30		DFEDHN
CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360646365	428382808	/nfs/dbraw/zinc/38/28/08/428382808.db2.gz	IDAJLCKVKRMQRW-SUMWQHHRSA-N	0	3	320.458	2.739	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000346956915	428385232	/nfs/dbraw/zinc/38/52/32/428385232.db2.gz	FUAULANODSLSNF-UHFFFAOYSA-N	0	3	320.433	2.560	20	30		DFEDHN
C[C@@H](CCS(C)(=O)=O)N[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000360656380	428385777	/nfs/dbraw/zinc/38/57/77/428385777.db2.gz	HVYLSIBYYJGSCQ-SUMWQHHRSA-N	0	3	320.458	2.739	20	30		DFEDHN
C[C@@H](COc1cccc(F)c1)NCc1cnc2ccc(C#N)cn12	ZINC000342731527	428439707	/nfs/dbraw/zinc/43/97/07/428439707.db2.gz	RHSMLFHHSZKIDC-ZDUSSCGKSA-N	0	3	324.359	2.902	20	30		DFEDHN
Cn1cc(CNCCOC(F)(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000353233663	428444710	/nfs/dbraw/zinc/44/47/10/428444710.db2.gz	GQPMNTRPEKJVCT-UHFFFAOYSA-N	0	3	324.306	2.585	20	30		DFEDHN
CC(C#N)C(=O)NC1CC(c2ccc(Br)cc2)C1	ZINC000360816994	428449244	/nfs/dbraw/zinc/44/92/44/428449244.db2.gz	JCAGTGVIMSLHDG-CBZQXFMTSA-N	0	3	307.191	2.971	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000347111612	428450732	/nfs/dbraw/zinc/45/07/32/428450732.db2.gz	YQSRFEFJTCIGHQ-LJQANCHMSA-N	0	3	307.397	2.939	20	30		DFEDHN
CCCCOCCOCCN[C@@H]1CCc2ccc(C#N)cc21	ZINC000353258368	428456287	/nfs/dbraw/zinc/45/62/87/428456287.db2.gz	RGUQHZFZMDENNL-GOSISDBHSA-N	0	3	302.418	2.968	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2nccs2)CC1	ZINC000372206098	428421649	/nfs/dbraw/zinc/42/16/49/428421649.db2.gz	PSXHDTWJAJOOSA-AWEZNQCLSA-N	0	3	320.462	2.640	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2cc(Br)cc(F)c2C1	ZINC000342384695	428425712	/nfs/dbraw/zinc/42/57/12/428425712.db2.gz	SBHNPMVFGULDJB-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1cccs1)C1CC1	ZINC000342469244	428429361	/nfs/dbraw/zinc/42/93/61/428429361.db2.gz	FUDZBTPRGFWFPV-BLLLJJGKSA-N	0	3	305.447	2.797	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	ZINC000347056348	428430566	/nfs/dbraw/zinc/43/05/66/428430566.db2.gz	BNAPCKYDWMKUBQ-GFCCVEGCSA-N	0	3	314.364	2.766	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000342870175	428479152	/nfs/dbraw/zinc/47/91/52/428479152.db2.gz	KVEVGDMCVKMAAX-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(-n3cccc3)ccn2)CC1	ZINC000353322097	428484783	/nfs/dbraw/zinc/48/47/83/428484783.db2.gz	AKOWUIJDNFRLAG-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000353325515	428488331	/nfs/dbraw/zinc/48/83/31/428488331.db2.gz	BCGUGHBQZVTLGT-HUUCEWRRSA-N	0	3	305.422	2.502	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000342995679	428500540	/nfs/dbraw/zinc/50/05/40/428500540.db2.gz	CXJIBAHQWXWLKV-HCKVZZMMSA-N	0	3	323.799	2.748	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@@H]2CCc3nccn3C2)cc1	ZINC000373027554	428511745	/nfs/dbraw/zinc/51/17/45/428511745.db2.gz	FPOITBLAMNLCGD-NVXWUHKLSA-N	0	3	310.401	2.841	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@]2(CCCOC2)C1	ZINC000347253507	428514401	/nfs/dbraw/zinc/51/44/01/428514401.db2.gz	IULTXZYHXCCBLK-SFHVURJKSA-N	0	3	300.402	2.959	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000373101373	428517349	/nfs/dbraw/zinc/51/73/49/428517349.db2.gz	XIPOKNQEJUNVID-RTBURBONSA-N	0	3	319.408	2.906	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C(=O)OC)[C@@H]2C)cc(OC)c1O	ZINC000347272396	428522183	/nfs/dbraw/zinc/52/21/83/428522183.db2.gz	DJZGCKYFQLRPPN-WFASDCNBSA-N	0	3	319.401	2.513	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2nccn2C)C1	ZINC000373226273	428522710	/nfs/dbraw/zinc/52/27/10/428522710.db2.gz	HJKFVQGOWMYKBH-QGZVFWFLSA-N	0	3	309.413	2.812	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1	ZINC000373225210	428523978	/nfs/dbraw/zinc/52/39/78/428523978.db2.gz	DAWWWBWPQNDAPH-QGZVFWFLSA-N	0	3	309.413	2.812	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cncc(-c3ccccn3)c2)CC1	ZINC000360989872	428527133	/nfs/dbraw/zinc/52/71/33/428527133.db2.gz	MYHIHCKRXKJAPE-UHFFFAOYSA-N	0	3	322.412	2.524	20	30		DFEDHN
CC1CC(C#N)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1	ZINC000390759693	428475722	/nfs/dbraw/zinc/47/57/22/428475722.db2.gz	LHZKVFXTEHQGRR-URSIVYNOSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1OC	ZINC000361156286	428540590	/nfs/dbraw/zinc/54/05/90/428540590.db2.gz	XEAPDLWLHUXRLP-HUUCEWRRSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1OC	ZINC000373321546	428547305	/nfs/dbraw/zinc/54/73/05/428547305.db2.gz	SOUXKLRQHMTKOX-SFHVURJKSA-N	0	3	303.402	2.607	20	30		DFEDHN
COc1ccc(CNC(=O)C(C)C#N)c(OC2CCCC2)c1	ZINC000357594829	428547978	/nfs/dbraw/zinc/54/79/78/428547978.db2.gz	CZEFAFZMBBHKRO-GFCCVEGCSA-N	0	3	302.374	2.792	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@](O)(C3CC3)C2)c1	ZINC000373327048	428550537	/nfs/dbraw/zinc/55/05/37/428550537.db2.gz	YZRXBDNQSJKNGU-GOSISDBHSA-N	0	3	300.402	2.716	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000361221567	428551495	/nfs/dbraw/zinc/55/14/95/428551495.db2.gz	ULSVSZHCLWZYNN-AWEZNQCLSA-N	0	3	305.447	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1cc2nncn2c(C)n1)C(C)C	ZINC000357695234	428555604	/nfs/dbraw/zinc/55/56/04/428555604.db2.gz	XQCIVCHNQXPUIM-OAHLLOKOSA-N	0	3	314.437	2.543	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000361357903	428560827	/nfs/dbraw/zinc/56/08/27/428560827.db2.gz	ZRAJIFRZUSMSKG-SJLPKXTDSA-N	0	3	316.445	2.921	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21	ZINC000373391256	428564389	/nfs/dbraw/zinc/56/43/89/428564389.db2.gz	FZBUWRFYUUYEPZ-OAGGEKHMSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	ZINC000357806221	428565588	/nfs/dbraw/zinc/56/55/88/428565588.db2.gz	YTFKLHHARISAPP-AWEZNQCLSA-N	0	3	318.380	2.860	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000357823813	428565683	/nfs/dbraw/zinc/56/56/83/428565683.db2.gz	ISNRNGIOSCTKIM-GUYCJALGSA-N	0	3	318.380	2.939	20	30		DFEDHN
COc1cccc([C@H](C)N2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373403519	428567518	/nfs/dbraw/zinc/56/75/18/428567518.db2.gz	IBMZHALTFBCNFJ-ZDUSSCGKSA-N	0	3	311.389	2.556	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C(C)C)[C@@H]1CCOC1	ZINC000361417329	428567754	/nfs/dbraw/zinc/56/77/54/428567754.db2.gz	WUEULMOTMXJHLV-QZTJIDSGSA-N	0	3	319.445	2.654	20	30		DFEDHN
CCN(C[C@@H](C)OC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000361563735	428579077	/nfs/dbraw/zinc/57/90/77/428579077.db2.gz	JQEPSLBTHXDDAZ-NDUQDZPOSA-N	0	3	323.481	2.663	20	30		DFEDHN
CCN(C[C@H](C)OC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000361563732	428580128	/nfs/dbraw/zinc/58/01/28/428580128.db2.gz	JQEPSLBTHXDDAZ-LPMVOBIJSA-N	0	3	323.481	2.663	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)[C@@H](CC)C1	ZINC000353578802	428606024	/nfs/dbraw/zinc/60/60/24/428606024.db2.gz	FAZJDKXZYICYKB-RBUKOAKNSA-N	0	3	302.462	2.910	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358624633	428612697	/nfs/dbraw/zinc/61/26/97/428612697.db2.gz	GEKURPSPXSUTRL-QGZVFWFLSA-N	0	3	319.449	2.952	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCC(F)(F)CC1	ZINC000347594827	428616305	/nfs/dbraw/zinc/61/63/05/428616305.db2.gz	HJSZUSHNTFRJHL-CQSZACIVSA-N	0	3	301.381	2.551	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)[nH]c(=O)c1)C(C)C	ZINC000347596125	428618076	/nfs/dbraw/zinc/61/80/76/428618076.db2.gz	ORRUTEAKBPPZQO-INIZCTEOSA-N	0	3	317.433	2.524	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](F)C1)C(C)C	ZINC000348051101	428634472	/nfs/dbraw/zinc/63/44/72/428634472.db2.gz	TZBULMRVEQWRII-HRCADAONSA-N	0	3	311.445	2.875	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]1C(F)F)C(C)C	ZINC000348018176	428634532	/nfs/dbraw/zinc/63/45/32/428634532.db2.gz	YWWWQULAMCZZEL-HZSPNIEDSA-N	0	3	315.408	2.638	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)C(C#N)CCc2ccccc2)o1	ZINC000347752147	428623130	/nfs/dbraw/zinc/62/31/30/428623130.db2.gz	NHNDPBZCUSCWEB-HNNXBMFYSA-N	0	3	311.385	2.934	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCC(C)(C)CCC#N	ZINC000358702407	428631904	/nfs/dbraw/zinc/63/19/04/428631904.db2.gz	FNFCNLNBVRBNAK-UHFFFAOYSA-N	0	3	308.470	2.834	20	30		DFEDHN
C=CCOCCCN1CCN(C/C=C\c2ccccc2)CC1	ZINC000347964765	428633637	/nfs/dbraw/zinc/63/36/37/428633637.db2.gz	KWYLXOSKIIUDQP-POHAHGRESA-N	0	3	300.446	2.910	20	30		DFEDHN
C=CCN(CCc1ccco1)Cc1cc(C(=O)OC)n(C)c1	ZINC000348132056	428637662	/nfs/dbraw/zinc/63/76/62/428637662.db2.gz	UWFAOLGIOXRHPJ-UHFFFAOYSA-N	0	3	302.374	2.635	20	30		DFEDHN
COC[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000136633112	274044244	/nfs/dbraw/zinc/04/42/44/274044244.db2.gz	HJCHVOLAVULUND-ZUZCIYMTSA-N	0	3	321.808	2.553	20	30		DFEDHN
CC[C@H]1CCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000348155849	428640454	/nfs/dbraw/zinc/64/04/54/428640454.db2.gz	CHGINUDXWMUKSY-GOEBONIOSA-N	0	3	306.431	2.500	20	30		DFEDHN
CC(C)(C#N)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415954759	428635918	/nfs/dbraw/zinc/63/59/18/428635918.db2.gz	ORAAMZBTJOEKFG-UHFFFAOYSA-N	0	3	314.311	2.835	20	30		DFEDHN
Cc1nc(CN2C[C@H](F)C[C@H]2CN(C)CCCC#N)cs1	ZINC000348188389	428647808	/nfs/dbraw/zinc/64/78/08/428647808.db2.gz	YKKFGHAVELTPID-HIFRSBDPSA-N	0	3	310.442	2.600	20	30		DFEDHN
C#CCCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000373990145	428657740	/nfs/dbraw/zinc/65/77/40/428657740.db2.gz	OBKCIBGBROQDCG-IBGZPJMESA-N	0	3	313.445	2.611	20	30		DFEDHN
Cc1nc([C@H](C)NC(=O)C(C#N)Cc2ccc(C#N)cc2)cs1	ZINC000348205114	428654184	/nfs/dbraw/zinc/65/41/84/428654184.db2.gz	IRURBZNFFZZNJS-XHDPSFHLSA-N	0	3	324.409	2.883	20	30		DFEDHN
C=C(C)CN(CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1	ZINC000348223427	428663951	/nfs/dbraw/zinc/66/39/51/428663951.db2.gz	HBJPIGWSUZZOKL-KDURUIRLSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)C1=O	ZINC000374062712	428662252	/nfs/dbraw/zinc/66/22/52/428662252.db2.gz	SEMZJAJNUFAVHY-ZVZYQTTQSA-N	0	3	314.429	2.660	20	30		DFEDHN
CC(C)(NC[C@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000348312766	428702655	/nfs/dbraw/zinc/70/26/55/428702655.db2.gz	VSJQRFNAGVGTIW-AWEZNQCLSA-N	0	3	316.426	2.884	20	30		DFEDHN
CCCN(C)[C@H](CNC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1	ZINC000358925957	428733778	/nfs/dbraw/zinc/73/37/78/428733778.db2.gz	FCPSJTFMNDSARB-SWLSCSKDSA-N	0	3	307.825	2.999	20	30		DFEDHN
CCC[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C	ZINC000362391088	428729443	/nfs/dbraw/zinc/72/94/43/428729443.db2.gz	YQFHZIPZMLJVLB-SFHVURJKSA-N	0	3	311.429	2.904	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc(CC)s2)CC1	ZINC000358786947	428677293	/nfs/dbraw/zinc/67/72/93/428677293.db2.gz	MLQLRLFEKBSULH-UHFFFAOYSA-N	0	3	307.463	2.760	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(C)(C)C2CCC(O)CC2)CC1	ZINC000416151061	428677771	/nfs/dbraw/zinc/67/77/71/428677771.db2.gz	NUVMVRFLGZSMBB-UHFFFAOYSA-N	0	3	322.493	2.720	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000358800435	428680114	/nfs/dbraw/zinc/68/01/14/428680114.db2.gz	BNKADNFXMQZLRP-HZPDHXFCSA-N	0	3	319.497	2.972	20	30		DFEDHN
CCN1CC[C@H](NC(=O)C(C)C#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000358967101	428752506	/nfs/dbraw/zinc/75/25/06/428752506.db2.gz	OYPLHXFSEPEZFG-WKPIXPDZSA-N	0	3	323.799	2.890	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000348469408	428754735	/nfs/dbraw/zinc/75/47/35/428754735.db2.gz	NGXZHVOWEBYRBZ-KBPBESRZSA-N	0	3	309.479	2.593	20	30		DFEDHN
C=CCN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000362464721	428755375	/nfs/dbraw/zinc/75/53/75/428755375.db2.gz	GSIQRTDACUAXSM-LJQANCHMSA-N	0	3	323.440	2.846	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000358995247	428766942	/nfs/dbraw/zinc/76/69/42/428766942.db2.gz	WNMLMGOMDQCCDA-DOTOQJQBSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000358960058	428748923	/nfs/dbraw/zinc/74/89/23/428748923.db2.gz	RQWOFERREASETI-KBPBESRZSA-N	0	3	303.454	2.651	20	30		DFEDHN
C#CCCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000374783835	428751802	/nfs/dbraw/zinc/75/18/02/428751802.db2.gz	RHDSYJVUGJDBQM-INIZCTEOSA-N	0	3	322.412	2.865	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000345196353	428795129	/nfs/dbraw/zinc/79/51/29/428795129.db2.gz	KGIUJNBIAAFTJN-YJBOKZPZSA-N	0	3	311.429	2.954	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1	ZINC000362726649	428801531	/nfs/dbraw/zinc/80/15/31/428801531.db2.gz	QOSNNEVPYIPUIL-QZTJIDSGSA-N	0	3	311.429	2.631	20	30		DFEDHN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCC1(C#N)CCCCC1	ZINC000411754839	428852588	/nfs/dbraw/zinc/85/25/88/428852588.db2.gz	FVPCNAAIVQUADE-HUUCEWRRSA-N	0	3	312.479	2.796	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCSC[C@H]1CCO	ZINC000362958871	428824525	/nfs/dbraw/zinc/82/45/25/428824525.db2.gz	SUQUCIZKIKVUSD-OAHLLOKOSA-N	0	3	304.459	2.788	20	30		DFEDHN
CCCCC[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000362963225	428826218	/nfs/dbraw/zinc/82/62/18/428826218.db2.gz	JPHUAVYFMRSMMV-MRXNPFEDSA-N	0	3	304.438	2.687	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCCC[C@H]1CC	ZINC000411642901	428830099	/nfs/dbraw/zinc/83/00/99/428830099.db2.gz	NVVUYHJFJQDUFD-IAGOWNOFSA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000411641001	428830325	/nfs/dbraw/zinc/83/03/25/428830325.db2.gz	LFYCTTSVHDGIBH-UHFFFAOYSA-N	0	3	307.394	2.543	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nnc(-c2cc(C)oc2C)o1	ZINC000411642472	428831724	/nfs/dbraw/zinc/83/17/24/428831724.db2.gz	NGGJWPUQYMASIN-UHFFFAOYSA-N	0	3	318.421	2.886	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)c2ccc(C)nc2)CC1	ZINC000354196216	428909267	/nfs/dbraw/zinc/90/92/67/428909267.db2.gz	WHWPDYVIRWNJFZ-UHFFFAOYSA-N	0	3	316.449	2.575	20	30		DFEDHN
C=CCN(Cc1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363184832	428875883	/nfs/dbraw/zinc/87/58/83/428875883.db2.gz	IREXXZVXHFSWPR-LJQANCHMSA-N	0	3	310.445	2.683	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@H]1NCCc2ccccc21	ZINC000418194909	428896619	/nfs/dbraw/zinc/89/66/19/428896619.db2.gz	GEYNYSHOTNDMNO-MRXNPFEDSA-N	0	3	314.433	2.503	20	30		DFEDHN
C=C(CNCc1cnc(-c2cnn(C)c2)nc1)c1ccccc1	ZINC000354180120	428901916	/nfs/dbraw/zinc/90/19/16/428901916.db2.gz	GQDDESFBAKXNTF-UHFFFAOYSA-N	0	3	305.385	2.680	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1	ZINC000412046447	428924929	/nfs/dbraw/zinc/92/49/29/428924929.db2.gz	UBCKKANYQODZMQ-FUHWJXTLSA-N	0	3	302.393	2.638	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000412048782	428927236	/nfs/dbraw/zinc/92/72/36/428927236.db2.gz	YCPXHRBBMDQLNP-DLBZAZTESA-N	0	3	314.429	2.565	20	30		DFEDHN
CO[C@H](CC(C)C)CN1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000419194539	428929720	/nfs/dbraw/zinc/92/97/20/428929720.db2.gz	WQTXYIVNMJUGGK-LJQANCHMSA-N	0	3	315.461	2.737	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](Cc1ccccc1)C(N)=O	ZINC000419373618	428930843	/nfs/dbraw/zinc/93/08/43/428930843.db2.gz	OMJDSUBOOQYDON-RTBURBONSA-N	0	3	319.408	2.622	20	30		DFEDHN
Cc1ccc(CC(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000419333478	428930966	/nfs/dbraw/zinc/93/09/66/428930966.db2.gz	MCPOAJYGVXOTQA-LJQANCHMSA-N	0	3	313.445	2.714	20	30		DFEDHN
CN(CCCNC(=O)NCC1(C#N)CCC1)Cc1ccccc1	ZINC000419398297	428932428	/nfs/dbraw/zinc/93/24/28/428932428.db2.gz	GXBSBBAKKKWMEB-UHFFFAOYSA-N	0	3	314.433	2.502	20	30		DFEDHN
N#CC1(F)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1	ZINC000359365218	428939805	/nfs/dbraw/zinc/93/98/05/428939805.db2.gz	SWQAWYIDZXOYCG-MRXNPFEDSA-N	0	3	315.392	2.505	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CO)[C@H](O)CCC)cc1Cl	ZINC000419822053	428940762	/nfs/dbraw/zinc/94/07/62/428940762.db2.gz	NRKPNVDUPDQPOO-HUUCEWRRSA-N	0	3	313.825	2.516	20	30		DFEDHN
C[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)CCN1	ZINC000420188487	428948969	/nfs/dbraw/zinc/94/89/69/428948969.db2.gz	FFHHEMRFUBNHAB-MRVPVSSYSA-N	0	3	314.614	2.772	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C	ZINC000412120618	428959554	/nfs/dbraw/zinc/95/95/54/428959554.db2.gz	DRDPJYDJEUKACO-XDKFSHSGSA-N	0	3	311.429	2.603	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCCC[C@@H]1C	ZINC000420815095	428962702	/nfs/dbraw/zinc/96/27/02/428962702.db2.gz	ZUIYAOHFDXEMNQ-QWHCGFSZSA-N	0	3	320.462	2.682	20	30		DFEDHN
C=CCOCCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1	ZINC000451908396	429017745	/nfs/dbraw/zinc/01/77/45/429017745.db2.gz	KEHOYPOSSSUDAR-AWEZNQCLSA-N	0	3	304.217	2.993	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000451920751	429018691	/nfs/dbraw/zinc/01/86/91/429018691.db2.gz	HENNMDWNUYLBAW-CYBMUJFWSA-N	0	3	322.399	2.910	20	30		DFEDHN
CN(CC#Cc1cccc(Cl)c1)C1(CCO)CCOCC1	ZINC000355002475	429022308	/nfs/dbraw/zinc/02/23/08/429022308.db2.gz	BATNAUBVEPQEGD-UHFFFAOYSA-N	0	3	307.821	2.555	20	30		DFEDHN
COC1(CCNC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000354992745	429022480	/nfs/dbraw/zinc/02/24/80/429022480.db2.gz	FNHJDRMFOPAWGN-INIZCTEOSA-N	0	3	300.402	2.834	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC#N)N(C)C	ZINC000355089113	429028091	/nfs/dbraw/zinc/02/80/91/429028091.db2.gz	VXPAERADCOFTMA-GOEBONIOSA-N	0	3	302.422	2.589	20	30		DFEDHN
CC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000420957208	428974595	/nfs/dbraw/zinc/97/45/95/428974595.db2.gz	ODSSEBZNACFWOR-LJQANCHMSA-N	0	3	319.408	2.936	20	30		DFEDHN
CC(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000420957207	428975094	/nfs/dbraw/zinc/97/50/94/428975094.db2.gz	ODSSEBZNACFWOR-IBGZPJMESA-N	0	3	319.408	2.936	20	30		DFEDHN
Cc1ccnc([C@@H](C)NC2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000375804649	428978762	/nfs/dbraw/zinc/97/87/62/428978762.db2.gz	JAGINAOIGAUBPD-OAHLLOKOSA-N	0	3	321.428	2.976	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000421115406	428981062	/nfs/dbraw/zinc/98/10/62/428981062.db2.gz	QCWCOKIVLXHGIR-CYBMUJFWSA-N	0	3	320.824	2.964	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)C[C@@H](CO)C2)cc(OC)c1O	ZINC000421363350	428990181	/nfs/dbraw/zinc/99/01/81/428990181.db2.gz	PNJDPBNSSFWVKS-UKRRQHHQSA-N	0	3	305.418	2.580	20	30		DFEDHN
C[C@H](CC(=O)N1CCCCCC1)NCc1ccc(C#N)s1	ZINC000421347759	428990394	/nfs/dbraw/zinc/99/03/94/428990394.db2.gz	CWOQGNWUUHWJGN-CYBMUJFWSA-N	0	3	305.447	2.891	20	30		DFEDHN
C[C@@H]1C[C@H](CO)CN(Cc2cccc(OCCCC#N)c2)C1	ZINC000421366449	428991778	/nfs/dbraw/zinc/99/17/78/428991778.db2.gz	VKFKBXNAFGRVRR-WBVHZDCISA-N	0	3	302.418	2.819	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(c3ccccc3Cl)C2)cc1C#N	ZINC000375982216	429034087	/nfs/dbraw/zinc/03/40/87/429034087.db2.gz	WNNFCAWMBUVGHP-CQSZACIVSA-N	0	3	314.820	2.919	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@H]1C[C@H](OC)C12CCC2	ZINC000451850330	428996022	/nfs/dbraw/zinc/99/60/22/428996022.db2.gz	LNJJCQGICFZYPX-IRXDYDNUSA-N	0	3	300.402	2.956	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)C1	ZINC000354590522	428998122	/nfs/dbraw/zinc/99/81/22/428998122.db2.gz	DUCKOLIQWSHCEU-AEFFLSMTSA-N	0	3	313.445	2.922	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCCN(CC2CCC2)CC1)OCC	ZINC000412318402	429013534	/nfs/dbraw/zinc/01/35/34/429013534.db2.gz	ZDKFJYHDQSHMRL-KRWDZBQOSA-N	0	3	308.466	2.692	20	30		DFEDHN
Cc1c(CNC(=O)[C@H](N)CCCC#N)oc2ccc(F)cc12	ZINC000424104141	429090867	/nfs/dbraw/zinc/09/08/67/429090867.db2.gz	GJVPQQUDGRIFKY-CYBMUJFWSA-N	0	3	303.337	2.518	20	30		DFEDHN
CCCCN(Cc1ccccc1F)C(=O)[C@@H](N)CCCC#N	ZINC000424112739	429092137	/nfs/dbraw/zinc/09/21/37/429092137.db2.gz	KRDXETXRFQQKPL-INIZCTEOSA-N	0	3	305.397	2.976	20	30		DFEDHN
Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H](N)CCCC#N	ZINC000424106640	429092311	/nfs/dbraw/zinc/09/23/11/429092311.db2.gz	SPBDLVCRRWOEBZ-AWEZNQCLSA-N	0	3	323.824	2.555	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl	ZINC000424112359	429092680	/nfs/dbraw/zinc/09/26/80/429092680.db2.gz	JJFYPXJNWLFRMH-AWEZNQCLSA-N	0	3	307.825	2.755	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000424114324	429092818	/nfs/dbraw/zinc/09/28/18/429092818.db2.gz	QLAUNKQHXMOKGP-QGZVFWFLSA-N	0	3	317.408	2.628	20	30		DFEDHN
Cc1cc(Cl)ccc1OCCCNC(=O)[C@H](N)CCCC#N	ZINC000424106642	429093467	/nfs/dbraw/zinc/09/34/67/429093467.db2.gz	SPBDLVCRRWOEBZ-CQSZACIVSA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1	ZINC000424117771	429094740	/nfs/dbraw/zinc/09/47/40/429094740.db2.gz	BVJQZSFOISWEGG-GDBMZVCRSA-N	0	3	317.458	2.648	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1	ZINC000424122702	429094813	/nfs/dbraw/zinc/09/48/13/429094813.db2.gz	JQIWWLWBKCPRSL-MRXNPFEDSA-N	0	3	303.381	2.585	20	30		DFEDHN
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424125579	429095109	/nfs/dbraw/zinc/09/51/09/429095109.db2.gz	OCNHGBIUOWZOQS-SWLSCSKDSA-N	0	3	307.825	2.751	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)c2cccc(F)c2C#N)CC1	ZINC000376334654	429095750	/nfs/dbraw/zinc/09/57/50/429095750.db2.gz	QFKIJFSZKPQVBK-UHFFFAOYSA-N	0	3	303.381	2.501	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H](N)CCCC#N	ZINC000424135863	429096311	/nfs/dbraw/zinc/09/63/11/429096311.db2.gz	ZYCHNAUGQFONPP-INWMFGNUSA-N	0	3	303.381	2.551	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cc[nH]c(=O)c1	ZINC000355305819	429038655	/nfs/dbraw/zinc/03/86/55/429038655.db2.gz	VAFXDUDXDMNWFP-CJNGLKHVSA-N	0	3	309.369	2.737	20	30		DFEDHN
CC(C)[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1	ZINC000355338180	429039422	/nfs/dbraw/zinc/03/94/22/429039422.db2.gz	QZRBXTRQYACVCR-LSDHHAIUSA-N	0	3	312.373	2.655	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(Br)c1Cl	ZINC000412483879	429052224	/nfs/dbraw/zinc/05/22/24/429052224.db2.gz	CLBQXFQJALJIDP-SSDOTTSWSA-N	0	3	301.571	2.878	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCCN2C2CC2)c1	ZINC000433809893	429053243	/nfs/dbraw/zinc/05/32/43/429053243.db2.gz	BTKHNSOANIZSHM-CQSZACIVSA-N	0	3	300.362	2.895	20	30		DFEDHN
COc1cc(CN[C@H](C)c2ccc(CN)nc2C)ccc1C#N	ZINC000423119023	429054032	/nfs/dbraw/zinc/05/40/32/429054032.db2.gz	BETLUAHXHCZDJT-GFCCVEGCSA-N	0	3	310.401	2.580	20	30		DFEDHN
C=CCCC1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1	ZINC000355604717	429054943	/nfs/dbraw/zinc/05/49/43/429054943.db2.gz	IELMUQMJXOFPFY-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000424083641	429088699	/nfs/dbraw/zinc/08/86/99/429088699.db2.gz	NIJCEECGQJWXFW-SNVBAGLBSA-N	0	3	303.259	2.804	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000452964004	429142972	/nfs/dbraw/zinc/14/29/72/429142972.db2.gz	USHSXKDKIIDEAQ-MSOLQXFVSA-N	0	3	314.429	2.746	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)s1	ZINC000487269875	429146051	/nfs/dbraw/zinc/14/60/51/429146051.db2.gz	IRPDLYBCDIHTTQ-CYBMUJFWSA-N	0	3	303.431	2.710	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)c(F)c1)CO2	ZINC000453397095	429147132	/nfs/dbraw/zinc/14/71/32/429147132.db2.gz	YZSHDAFZDQHDQA-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000424499861	429147678	/nfs/dbraw/zinc/14/76/78/429147678.db2.gz	GVAHRYXOFQCKON-CVEARBPZSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1	ZINC000453360449	429148081	/nfs/dbraw/zinc/14/80/81/429148081.db2.gz	OBEFJAATPRMCOO-ZBRFXRBCSA-N	0	3	303.402	2.545	20	30		DFEDHN
C=C(CC)CN[C@@H](CCn1cncn1)c1ccc(OC)cc1	ZINC000453363375	429148495	/nfs/dbraw/zinc/14/84/95/429148495.db2.gz	OECNJOYVIVTAMD-KRWDZBQOSA-N	0	3	300.406	2.974	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453426515	429149306	/nfs/dbraw/zinc/14/93/06/429149306.db2.gz	RNJZNVLQLSWXCW-CQSZACIVSA-N	0	3	315.421	2.645	20	30		DFEDHN
Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)s2)cc1C	ZINC000453627784	429155327	/nfs/dbraw/zinc/15/53/27/429155327.db2.gz	MUDLNWRKRBRVOT-HNNXBMFYSA-N	0	3	300.427	2.930	20	30		DFEDHN
CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424177936	429106493	/nfs/dbraw/zinc/10/64/93/429106493.db2.gz	VMJWZTILULWRHY-ZFWWWQNUSA-N	0	3	305.447	2.695	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@]3(CCCCO3)C2)cc1	ZINC000376468723	429117692	/nfs/dbraw/zinc/11/76/92/429117692.db2.gz	MQZQOYZELCHSBF-QZTJIDSGSA-N	0	3	300.402	2.627	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434998573	429118369	/nfs/dbraw/zinc/11/83/69/429118369.db2.gz	FSZWBHLDTZXXGR-QGZVFWFLSA-N	0	3	311.429	2.580	20	30		DFEDHN
Cc1cc(NCCN2CCC[C@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413055850	429129801	/nfs/dbraw/zinc/12/98/01/429129801.db2.gz	BVCBEXGDARRMIY-LBPRGKRZSA-N	0	3	302.378	2.919	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1	ZINC000494658036	429136040	/nfs/dbraw/zinc/13/60/40/429136040.db2.gz	WGRAFSIJIHOTSH-KRWDZBQOSA-N	0	3	301.434	2.998	20	30		DFEDHN
CC[C@H](C)[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC	ZINC000452803497	429140203	/nfs/dbraw/zinc/14/02/03/429140203.db2.gz	HFTHGJOJONNZOV-BHYGNILZSA-N	0	3	302.418	2.936	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1CCCN1CCOc1ccc(C#N)cc1	ZINC000363919780	429142070	/nfs/dbraw/zinc/14/20/70/429142070.db2.gz	HFDPDCGBNPZYMC-SFHVURJKSA-N	0	3	310.401	2.816	20	30		DFEDHN
C=CC(C)(C)CNC(=O)NCCCN1CCc2ccccc2C1	ZINC000454238061	429161751	/nfs/dbraw/zinc/16/17/51/429161751.db2.gz	DYFHAWQOZPGAAN-UHFFFAOYSA-N	0	3	315.461	2.946	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1	ZINC000424644350	429168253	/nfs/dbraw/zinc/16/82/53/429168253.db2.gz	HBNBOJJIEADDMD-IRXDYDNUSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000424645428	429168351	/nfs/dbraw/zinc/16/83/51/429168351.db2.gz	RWWZFRKYHFYGSK-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
Cc1nc(NC[C@H](C)N2CCc3ccccc3C2)ccc1C#N	ZINC000487915224	429172748	/nfs/dbraw/zinc/17/27/48/429172748.db2.gz	VHWIMEKKXUDFFT-AWEZNQCLSA-N	0	3	306.413	3.120	20	30		DFEDHN
COCCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C	ZINC000487979268	429174638	/nfs/dbraw/zinc/17/46/38/429174638.db2.gz	ZQYCWBSIRUVSNZ-PBHICJAKSA-N	0	3	315.417	2.634	20	30		DFEDHN
Cc1cc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1C#N	ZINC000488131024	429176580	/nfs/dbraw/zinc/17/65/80/429176580.db2.gz	GHNIXXLKVUFKHG-HKUYNNGSSA-N	0	3	323.440	2.842	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000454961551	429177475	/nfs/dbraw/zinc/17/74/75/429177475.db2.gz	ONIQPWASGLWEKO-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
Cc1cc(CN(C)CC(C)(C)CN2CCOCC2)ccc1C#N	ZINC000488168283	429177464	/nfs/dbraw/zinc/17/74/64/429177464.db2.gz	PKTNSUJSBKYWHQ-UHFFFAOYSA-N	0	3	315.461	2.657	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000455185187	429182009	/nfs/dbraw/zinc/18/20/09/429182009.db2.gz	GTBWRCRYJDWTIR-BBWFWOEESA-N	0	3	323.481	2.530	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)N(C)C	ZINC000455434770	429189343	/nfs/dbraw/zinc/18/93/43/429189343.db2.gz	QRABHNLIAYRFEW-GOEBONIOSA-N	0	3	302.422	2.671	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(OCC3CC3)CC2)c1	ZINC000364337173	429185685	/nfs/dbraw/zinc/18/56/85/429185685.db2.gz	HRBBCLSHULIBIG-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1	ZINC000488717947	429190897	/nfs/dbraw/zinc/19/08/97/429190897.db2.gz	FNJMRKCNPKTVMI-HBUWYVDXSA-N	0	3	311.429	2.927	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455796656	429213089	/nfs/dbraw/zinc/21/30/89/429213089.db2.gz	VFURVLHHOJGEIJ-UHFFFAOYSA-N	0	3	321.812	2.555	20	30		DFEDHN
C=CCCCS(=O)(=O)NC[C@H]1CCCCN1CCCC	ZINC000489269477	429225376	/nfs/dbraw/zinc/22/53/76/429225376.db2.gz	PCKNLGCIWHPPNW-OAHLLOKOSA-N	0	3	302.484	2.527	20	30		DFEDHN
CCC(CC)(CC(=O)OC)NCc1cc(C#N)ccc1OC	ZINC000440905243	429226999	/nfs/dbraw/zinc/22/69/99/429226999.db2.gz	FDDWUOIPOOLNGL-UHFFFAOYSA-N	0	3	304.390	2.778	20	30		DFEDHN
COc1cc(CNCCOc2ccc(F)cc2)ccc1C#N	ZINC000440814374	429227498	/nfs/dbraw/zinc/22/74/98/429227498.db2.gz	PDEOKSJSDCKUAJ-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCCC[C@@H]1C	ZINC000441004111	429228907	/nfs/dbraw/zinc/22/89/07/429228907.db2.gz	ZGLYZGMUZZANED-NJINODPHSA-N	0	3	320.481	2.878	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCC1CCC(C#N)CC1	ZINC000440995917	429230275	/nfs/dbraw/zinc/23/02/75/429230275.db2.gz	AMJKZSPBOXISAL-OFLPRAFFSA-N	0	3	320.481	2.880	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(COCC(F)(F)F)c1	ZINC000441732968	429230700	/nfs/dbraw/zinc/23/07/00/429230700.db2.gz	WWMVGMPEWJVSBR-SNVBAGLBSA-N	0	3	300.280	2.541	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H](OC)C[C@H]1C	ZINC000441357065	429231099	/nfs/dbraw/zinc/23/10/99/429231099.db2.gz	MYEJFJDOOLZQCQ-KBAYOESNSA-N	0	3	319.445	2.654	20	30		DFEDHN
CC[C@@H]1CN(CC)CCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456369784	429289607	/nfs/dbraw/zinc/28/96/07/429289607.db2.gz	GBCXGLJPEVIFOW-ZWKOTPCHSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1	ZINC000495616045	429233034	/nfs/dbraw/zinc/23/30/34/429233034.db2.gz	KLLPKJVKQXLNIJ-KRWDZBQOSA-N	0	3	315.417	2.853	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[C@@H](C#N)C3)c2)CCO1	ZINC000442798282	429237530	/nfs/dbraw/zinc/23/75/30/429237530.db2.gz	YJUABHKVVWFSQO-GPMSIDNRSA-N	0	3	313.445	2.689	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN(C)[C@H]2CC2(C)C)c(OC)c1	ZINC000489416835	429240191	/nfs/dbraw/zinc/24/01/91/429240191.db2.gz	WWWWZQCBEXQTGY-YJBOKZPZSA-N	0	3	319.445	2.894	20	30		DFEDHN
COc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1C#N	ZINC000442887989	429240700	/nfs/dbraw/zinc/24/07/00/429240700.db2.gz	CPMPZDQEXSKUBW-IAGOWNOFSA-N	0	3	300.402	2.815	20	30		DFEDHN
CCOC(=O)[C@](C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1	ZINC000443064656	429244748	/nfs/dbraw/zinc/24/47/48/429244748.db2.gz	GPRIHJABKWTJPI-YXJHDRRASA-N	0	3	300.402	2.789	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(CF)CCOCC1	ZINC000456123832	429246533	/nfs/dbraw/zinc/24/65/33/429246533.db2.gz	QCJRMEIIBFIQSF-INIZCTEOSA-N	0	3	318.392	2.641	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cccc1[N+](=O)[O-]	ZINC000425255420	429252409	/nfs/dbraw/zinc/25/24/09/429252409.db2.gz	PNSUBOIKXDGSCH-GXTWGEPZSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC(=O)Nc1cccc(OCCNCc2ccc(C#N)c(C)c2)c1	ZINC000443975477	429259865	/nfs/dbraw/zinc/25/98/65/429259865.db2.gz	AIEHZBLSVJJJLZ-UHFFFAOYSA-N	0	3	323.396	2.994	20	30		DFEDHN
CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000444455130	429274055	/nfs/dbraw/zinc/27/40/55/429274055.db2.gz	RTRBHVQJVFPKHG-INIZCTEOSA-N	0	3	322.368	2.850	20	30		DFEDHN
C=CCCC[C@@H](C)[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1	ZINC000444809719	429277600	/nfs/dbraw/zinc/27/76/00/429277600.db2.gz	CIQGPZRJPGAMFI-CYBMUJFWSA-N	0	3	320.437	2.906	20	30		DFEDHN
C=CCCC[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1	ZINC000444809719	429277605	/nfs/dbraw/zinc/27/76/05/429277605.db2.gz	CIQGPZRJPGAMFI-CYBMUJFWSA-N	0	3	320.437	2.906	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000448831373	429318573	/nfs/dbraw/zinc/31/85/73/429318573.db2.gz	QRJNZONORHYZRQ-CKEIUWERSA-N	0	3	317.458	2.626	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](c1ccc(F)cc1)c1ccccn1	ZINC000491072633	429322657	/nfs/dbraw/zinc/32/26/57/429322657.db2.gz	UULLDQOKDRMRGA-IBGZPJMESA-N	0	3	311.404	2.855	20	30		DFEDHN
C#CCNC(=O)CCN1CCC(F)(c2ccc(Cl)cc2)CC1	ZINC000491164453	429328811	/nfs/dbraw/zinc/32/88/11/429328811.db2.gz	BWMWGFPIMRJLLT-UHFFFAOYSA-N	0	3	322.811	2.740	20	30		DFEDHN
C#C[C@H](NC(=O)CCN(C)c1ccncc1)c1ccc(F)cc1	ZINC000491240807	429338553	/nfs/dbraw/zinc/33/85/53/429338553.db2.gz	CWGWVEPHXJTNPV-KRWDZBQOSA-N	0	3	311.360	2.538	20	30		DFEDHN
C#CCN(C)CCCNC(=O)/C=C(\c1ccccc1)C(F)(F)F	ZINC000491306770	429345418	/nfs/dbraw/zinc/34/54/18/429345418.db2.gz	NPWGWMRJEGDJCP-FYWRMAATSA-N	0	3	324.346	2.704	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCC[C@H]1CCOC1	ZINC000456757588	429345729	/nfs/dbraw/zinc/34/57/29/429345729.db2.gz	IFYLSJMLRZXWMM-IRXDYDNUSA-N	0	3	300.402	2.692	20	30		DFEDHN
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC[C@H]1C	ZINC000445822322	429291409	/nfs/dbraw/zinc/29/14/09/429291409.db2.gz	QQWOHXGJJZNWON-VXGBXAGGSA-N	0	3	321.371	2.829	20	30		DFEDHN
C=CCN(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CC1	ZINC000365297851	429297514	/nfs/dbraw/zinc/29/75/14/429297514.db2.gz	JFDFRASNAUTNFM-QGZVFWFLSA-N	0	3	313.445	2.869	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCCC[C@H]1O	ZINC000490707298	429301678	/nfs/dbraw/zinc/30/16/78/429301678.db2.gz	FMWXNPJMJNWRHR-BRWVUGGUSA-N	0	3	300.402	2.569	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1	ZINC000491309191	429346747	/nfs/dbraw/zinc/34/67/47/429346747.db2.gz	XNNBNZBWTOOBDP-WQVCFCJDSA-N	0	3	319.836	2.796	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000490739120	429303764	/nfs/dbraw/zinc/30/37/64/429303764.db2.gz	GSFXLBZMRPUGFO-MSOLQXFVSA-N	0	3	313.445	2.610	20	30		DFEDHN
CCCCCCCCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1	ZINC000365339656	429303740	/nfs/dbraw/zinc/30/37/40/429303740.db2.gz	UHXULCCCFAXOOK-SFHVURJKSA-N	0	3	323.525	2.975	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)c2nccn21	ZINC000456440260	429307650	/nfs/dbraw/zinc/30/76/50/429307650.db2.gz	YKIDWXVUKCWEOQ-KBMXLJTQSA-N	0	3	308.385	2.778	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000425505064	429312045	/nfs/dbraw/zinc/31/20/45/429312045.db2.gz	MYMRYDGMCAKKOE-CPUCHLNUSA-N	0	3	314.433	2.743	20	30		DFEDHN
COCC(C)(C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1	ZINC000425510412	429312637	/nfs/dbraw/zinc/31/26/37/429312637.db2.gz	VHUYEPBAGCBGGD-OAHLLOKOSA-N	0	3	301.434	2.662	20	30		DFEDHN
C=CCN1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1	ZINC000425514972	429314515	/nfs/dbraw/zinc/31/45/15/429314515.db2.gz	VVISSZRUWZEFEL-UONOGXRCSA-N	0	3	324.218	2.824	20	30		DFEDHN
C[C@@H]1CC2(CCC2)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000365419640	429314944	/nfs/dbraw/zinc/31/49/44/429314944.db2.gz	BMPNTTRPUZXEKV-RHSMWYFYSA-N	0	3	309.413	2.928	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000448608705	429315247	/nfs/dbraw/zinc/31/52/47/429315247.db2.gz	XAMNPEYXHMEQBL-SFHVURJKSA-N	0	3	322.412	2.762	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1	ZINC000491309189	429347295	/nfs/dbraw/zinc/34/72/95/429347295.db2.gz	XNNBNZBWTOOBDP-MAZHCROVSA-N	0	3	319.836	2.796	20	30		DFEDHN
CC[C@H](C)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000456526841	429317524	/nfs/dbraw/zinc/31/75/24/429317524.db2.gz	IRWUPLGIRFAYNY-FUHWJXTLSA-N	0	3	313.445	2.702	20	30		DFEDHN
CCCCCCCC(=O)Nc1ccn(C2CCN(C)CC2)n1	ZINC000365870783	429391381	/nfs/dbraw/zinc/39/13/81/429391381.db2.gz	ICJHGGATIVAVRR-UHFFFAOYSA-N	0	3	306.454	3.449	20	30		DFEDHN
C#CCN(C[C@@H](O)c1ccc(F)cn1)[C@@H]1CCc2ccccc21	ZINC000491697433	429392167	/nfs/dbraw/zinc/39/21/67/429392167.db2.gz	KPWVROHGQBVQCB-RTBURBONSA-N	0	3	310.372	2.877	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@H]1CCN(CC)C1)c1ccc(Cl)cc1F	ZINC000491703921	429393525	/nfs/dbraw/zinc/39/35/25/429393525.db2.gz	JWHUCLLEGMVHMX-WFASDCNBSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1	ZINC000491704458	429394245	/nfs/dbraw/zinc/39/42/45/429394245.db2.gz	HNPPLHGRTQSMNG-HZPDHXFCSA-N	0	3	304.821	2.515	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(Cc1ccccc1C)C1CC1	ZINC000491775343	429406917	/nfs/dbraw/zinc/40/69/17/429406917.db2.gz	FBKMUJWEGHXEEP-UHFFFAOYSA-N	0	3	313.445	2.624	20	30		DFEDHN
C=C(C)CN1CCC[C@@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC1	ZINC000366014164	429408842	/nfs/dbraw/zinc/40/88/42/429408842.db2.gz	XWBNBTXVGSVHJH-MRXNPFEDSA-N	0	3	324.465	2.607	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1	ZINC000457129122	429409499	/nfs/dbraw/zinc/40/94/99/429409499.db2.gz	STAXKHFVUMJBCN-INIZCTEOSA-N	0	3	302.418	2.806	20	30		DFEDHN
Cc1cc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cn1	ZINC000456827211	429353139	/nfs/dbraw/zinc/35/31/39/429353139.db2.gz	AXQOKAUJGNXPRZ-KRWDZBQOSA-N	0	3	318.380	2.569	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000456844356	429354554	/nfs/dbraw/zinc/35/45/54/429354554.db2.gz	SOKVMQWEIFVZCH-FRRDWIJNSA-N	0	3	303.381	2.575	20	30		DFEDHN
CC[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1	ZINC000365705489	429360033	/nfs/dbraw/zinc/36/00/33/429360033.db2.gz	AYIOFPPHJFSGLZ-ZWKOTPCHSA-N	0	3	324.428	2.865	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000365985598	429410023	/nfs/dbraw/zinc/41/00/23/429410023.db2.gz	KZMQEJHEFOGLJL-QGZVFWFLSA-N	0	3	313.445	2.955	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCN1C	ZINC000426137932	429367962	/nfs/dbraw/zinc/36/79/62/429367962.db2.gz	INRXFWGTNSFFAA-PWSUYJOCSA-N	0	3	306.797	2.816	20	30		DFEDHN
O=C(C#Cc1ccccc1)NC1CCN(Cc2cccs2)CC1	ZINC000365815251	429377638	/nfs/dbraw/zinc/37/76/38/429377638.db2.gz	KILFNEWJWHVSIP-UHFFFAOYSA-N	0	3	324.449	2.880	20	30		DFEDHN
CC(C)[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](CO)C(C)C	ZINC000516186022	429380533	/nfs/dbraw/zinc/38/05/33/429380533.db2.gz	VSLZUQFEWNSCLC-DOTOQJQBSA-N	0	3	319.405	2.845	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1	ZINC000491669221	429388862	/nfs/dbraw/zinc/38/88/62/429388862.db2.gz	PEIBVXFRGFWYEK-IBGZPJMESA-N	0	3	310.441	2.642	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3nc(C)c(C)nc3c2)CC1	ZINC000517304580	429389030	/nfs/dbraw/zinc/38/90/30/429389030.db2.gz	MJVWAKRODRTUJJ-UHFFFAOYSA-N	0	3	324.428	2.627	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(C(C)C)c(O)cc1C	ZINC000491690350	429389906	/nfs/dbraw/zinc/38/99/06/429389906.db2.gz	BBGXIIXBQHGUHZ-UHFFFAOYSA-N	0	3	302.418	2.509	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000366390232	429449591	/nfs/dbraw/zinc/44/95/91/429449591.db2.gz	UZJZJQIAVIDENP-SZVBFZGTSA-N	0	3	313.445	2.662	20	30		DFEDHN
CCC(C)(C)OCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000457356829	429451029	/nfs/dbraw/zinc/45/10/29/429451029.db2.gz	LYEIDTOUVWSASU-INIZCTEOSA-N	0	3	313.401	2.562	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000519194018	429451769	/nfs/dbraw/zinc/45/17/69/429451769.db2.gz	LVKWCVMNKNAETF-DLBZAZTESA-N	0	3	312.417	2.889	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000457794730	429529260	/nfs/dbraw/zinc/52/92/60/429529260.db2.gz	AOGTULLEFYFYMJ-KBAYOESNSA-N	0	3	320.477	2.691	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cn2ccc(Br)cc2n1	ZINC000449694566	429482719	/nfs/dbraw/zinc/48/27/19/429482719.db2.gz	BZXYCLJCWXQZLJ-LBPRGKRZSA-N	0	3	324.222	2.514	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2ccncc2C#N)CC1	ZINC000366720042	429499876	/nfs/dbraw/zinc/49/98/76/429499876.db2.gz	IRMAMMZXDHFIPZ-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C12CCCN1CCC2	ZINC000520201471	429503831	/nfs/dbraw/zinc/50/38/31/429503831.db2.gz	RCYLAESQONNBBK-KRWDZBQOSA-N	0	3	309.413	2.680	20	30		DFEDHN
CCNC(=O)C1(CNC2CC(C#N)(c3ccccc3)C2)CCC1	ZINC000366776468	429513244	/nfs/dbraw/zinc/51/32/44/429513244.db2.gz	ZXCVKJSMTXQABH-UHFFFAOYSA-N	0	3	311.429	2.506	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000457764885	429524011	/nfs/dbraw/zinc/52/40/11/429524011.db2.gz	MHHVACRHFMTANA-OWCLPIDISA-N	0	3	308.466	2.594	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1	ZINC000366968703	429549810	/nfs/dbraw/zinc/54/98/10/429549810.db2.gz	GOIGHMKJROLQIM-GUYCJALGSA-N	0	3	310.401	2.878	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000366989462	429554079	/nfs/dbraw/zinc/55/40/79/429554079.db2.gz	KRGNCSNYVIRJLK-IBGZPJMESA-N	0	3	313.445	2.955	20	30		DFEDHN
Cc1ccccc1CN1CCCN(c2cnccc2C#N)CC1	ZINC000367454830	429652273	/nfs/dbraw/zinc/65/22/73/429652273.db2.gz	XIIDJYCSRINMAK-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000492840893	429628386	/nfs/dbraw/zinc/62/83/86/429628386.db2.gz	OFUBBKIFHRCVQD-BOTQLJDRSA-N	0	3	323.440	2.760	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450455822	429631134	/nfs/dbraw/zinc/63/11/34/429631134.db2.gz	OPEDLGHOJIRJTB-LBPRGKRZSA-N	0	3	303.366	2.538	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NCCN(C)C1CC1	ZINC000429900442	429639211	/nfs/dbraw/zinc/63/92/11/429639211.db2.gz	GBXQZULRFJNTRH-UHFFFAOYSA-N	0	3	313.426	2.905	20	30		DFEDHN
CC1(C#N)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1	ZINC000450500110	429640123	/nfs/dbraw/zinc/64/01/23/429640123.db2.gz	LXYMJDYNCXBNIB-MRXNPFEDSA-N	0	3	303.450	2.936	20	30		DFEDHN
N#Cc1ccnc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c1	ZINC000367442749	429650485	/nfs/dbraw/zinc/65/04/85/429650485.db2.gz	KMQQKKYGHQHJDO-KRWDZBQOSA-N	0	3	307.401	2.672	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]2CCC[C@H]21)C(C)C	ZINC000523481421	429608753	/nfs/dbraw/zinc/60/87/53/429608753.db2.gz	YWXBTJOIZYLCLB-BRWVUGGUSA-N	0	3	305.466	2.879	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367533216	429666009	/nfs/dbraw/zinc/66/60/09/429666009.db2.gz	IXTNBAMMSIUIDR-ZBFHGGJFSA-N	0	3	320.383	2.672	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1cncs1)C(C)C	ZINC000493064592	429680856	/nfs/dbraw/zinc/68/08/56/429680856.db2.gz	SMETWYONDXIUNX-PTZVLDCSSA-N	0	3	319.474	2.971	20	30		DFEDHN
Cc1cc(CCNCc2cn(C)nc2-c2ccc(C#N)cc2)on1	ZINC000367603979	429682610	/nfs/dbraw/zinc/68/26/10/429682610.db2.gz	QBQNVPLVJWKXEW-UHFFFAOYSA-N	0	3	321.384	2.588	20	30		DFEDHN
C#CCCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367599844	429683320	/nfs/dbraw/zinc/68/33/20/429683320.db2.gz	ICWMCOZUZJKXCS-MRXNPFEDSA-N	0	3	320.383	2.673	20	30		DFEDHN
C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000459016726	429694205	/nfs/dbraw/zinc/69/42/05/429694205.db2.gz	MFFZEQZBYIAETN-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459336160	429696090	/nfs/dbraw/zinc/69/60/90/429696090.db2.gz	AEXURUWPZDQDFD-DZGCQCFKSA-N	0	3	314.389	2.525	20	30		DFEDHN
C[C@H](CCCc1cccnc1)NCC(=O)Nc1ccc(C#N)cc1	ZINC000459651141	429700933	/nfs/dbraw/zinc/70/09/33/429700933.db2.gz	YQYAZPVBSULWQW-OAHLLOKOSA-N	0	3	322.412	2.893	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(C(C)C)nc(N(C)C)n2)CC1	ZINC000462826699	429707096	/nfs/dbraw/zinc/70/70/96/429707096.db2.gz	RTEXKLZOGLEUTJ-UHFFFAOYSA-N	0	3	317.481	3.118	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000493185633	429707538	/nfs/dbraw/zinc/70/75/38/429707538.db2.gz	GJNYLQRFVFZVKX-FEZXQPRLSA-N	0	3	323.440	2.760	20	30		DFEDHN
C=CC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000476651227	429717469	/nfs/dbraw/zinc/71/74/69/429717469.db2.gz	DHZOFNQPZXMUDE-SFHVURJKSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1C[C@@H](OC)C1)C(C)C	ZINC000480513972	429721279	/nfs/dbraw/zinc/72/12/79/429721279.db2.gz	DVVJVOCPGDKNBC-IXDOHACOSA-N	0	3	323.481	2.504	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C#N)cn1)N(C)C	ZINC000527192367	429731710	/nfs/dbraw/zinc/73/17/10/429731710.db2.gz	ZDPFGWDTEAIMOG-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
CC#CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000483413066	429734919	/nfs/dbraw/zinc/73/49/19/429734919.db2.gz	GGWCLAQPGVUKNB-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000450955043	429737819	/nfs/dbraw/zinc/73/78/19/429737819.db2.gz	OYJXESUVFBWMPP-GFCCVEGCSA-N	0	3	312.339	2.891	20	30		DFEDHN
N#CC1(NC(=O)CN2CCCC3(CCCCC3)CC2)CCC1	ZINC000527305792	429742872	/nfs/dbraw/zinc/74/28/72/429742872.db2.gz	CTABDJJJDSFMEF-UHFFFAOYSA-N	0	3	303.450	2.985	20	30		DFEDHN
C=CCNC(=O)CN[C@H]1CCCC[C@H]1Oc1ccccc1C	ZINC000484645946	429743011	/nfs/dbraw/zinc/74/30/11/429743011.db2.gz	HWARTFDKURDYQL-DOTOQJQBSA-N	0	3	302.418	2.577	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCNC(=O)CC1	ZINC000450985049	429744492	/nfs/dbraw/zinc/74/44/92/429744492.db2.gz	ZMXGRWBBXVFLNO-MRXNPFEDSA-N	0	3	318.465	2.758	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000451274941	429800360	/nfs/dbraw/zinc/80/03/60/429800360.db2.gz	XXJFHXYDIIWRGB-XOYOTBSWSA-N	0	3	316.445	2.694	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN[C@@H]2CCc3c2cccc3O)c1	ZINC000451177733	429780982	/nfs/dbraw/zinc/78/09/82/429780982.db2.gz	JQFUKGNHWBXJCN-QGZVFWFLSA-N	0	3	321.380	2.870	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2cnn(C)c2)n1	ZINC000527703334	429782429	/nfs/dbraw/zinc/78/24/29/429782429.db2.gz	NPPYUVCBRQZSLD-DOMZBBRYSA-N	0	3	318.446	2.614	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC[C@](C)(COC)C1	ZINC000451188592	429783398	/nfs/dbraw/zinc/78/33/98/429783398.db2.gz	HSADXZRWJFZCOQ-HKUYNNGSSA-N	0	3	319.445	2.513	20	30		DFEDHN
C=CCOc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1OC	ZINC000527759099	429793495	/nfs/dbraw/zinc/79/34/95/429793495.db2.gz	MXFMKMSTCYKZDR-KDOFPFPSSA-N	0	3	303.402	2.917	20	30		DFEDHN
Cc1ccc2ncc(C#N)c(N3CC[C@@H](N4CC=CC4)C3)c2c1	ZINC000368300140	429826630	/nfs/dbraw/zinc/82/66/30/429826630.db2.gz	VIKIBYVUCCZFJO-MRXNPFEDSA-N	0	3	304.397	2.865	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000451420954	429827494	/nfs/dbraw/zinc/82/74/94/429827494.db2.gz	NPCWISXGNZHMSH-BRWVUGGUSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)C1	ZINC000527976911	429829564	/nfs/dbraw/zinc/82/95/64/429829564.db2.gz	LDTYAJPRIJYRRS-ZOBUZTSGSA-N	0	3	318.465	2.775	20	30		DFEDHN
CO[C@@H]1C[C@@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C	ZINC000451485372	429833870	/nfs/dbraw/zinc/83/38/70/429833870.db2.gz	CQLQLOPISREAGF-ZIAGYGMSSA-N	0	3	321.808	2.553	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NCC(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000451487302	429834308	/nfs/dbraw/zinc/83/43/08/429834308.db2.gz	BMALEYBSMNTNGT-CABCVRRESA-N	0	3	321.465	2.511	20	30		DFEDHN
C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C#N)cc1F	ZINC000528014887	429836892	/nfs/dbraw/zinc/83/68/92/429836892.db2.gz	INTKBKMMSQHTAW-CYBMUJFWSA-N	0	3	317.408	2.997	20	30		DFEDHN
C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1ccc(C#N)cc1F	ZINC000528014888	429837781	/nfs/dbraw/zinc/83/77/81/429837781.db2.gz	INTKBKMMSQHTAW-ZDUSSCGKSA-N	0	3	317.408	2.997	20	30		DFEDHN
N#Cc1nc(NC[C@H]2CCN2C2CCCCC2)sc1Cl	ZINC000528117332	429850896	/nfs/dbraw/zinc/85/08/96/429850896.db2.gz	MKZUKFUENLOUNJ-LLVKDONJSA-N	0	3	310.854	3.487	20	30		DFEDHN
CC(C)[C@@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000528128476	429851485	/nfs/dbraw/zinc/85/14/85/429851485.db2.gz	VNSSTFJPWMNPEW-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000528129277	429851859	/nfs/dbraw/zinc/85/18/59/429851859.db2.gz	YINSZKZYLHWUAO-SFHVURJKSA-N	0	3	321.428	2.695	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451551696	429852370	/nfs/dbraw/zinc/85/23/70/429852370.db2.gz	UPFMWEKVRBUYHU-OAHLLOKOSA-N	0	3	303.362	2.704	20	30		DFEDHN
Cc1cn2c(n1)CC[C@H](NCc1ccc(F)c(C#N)c1Cl)C2	ZINC000368462096	429852951	/nfs/dbraw/zinc/85/29/51/429852951.db2.gz	LYIOYYSLFWKLGM-LBPRGKRZSA-N	0	3	318.783	2.960	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1	ZINC000451595820	429859226	/nfs/dbraw/zinc/85/92/26/429859226.db2.gz	FBHZJOZHKXMVHV-SJORKVTESA-N	0	3	303.377	2.889	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NCc1ccc(CN(C)C)cc1	ZINC000494208702	429860103	/nfs/dbraw/zinc/86/01/03/429860103.db2.gz	MUTCUBIKHMGUMU-QGZVFWFLSA-N	0	3	301.434	2.998	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC	ZINC000451634380	429865501	/nfs/dbraw/zinc/86/55/01/429865501.db2.gz	UOGCEUNFTBNDSM-FVQBIDKESA-N	0	3	322.474	2.808	20	30		DFEDHN
CCCCN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCCC[C@H]1OC	ZINC000451654332	429867391	/nfs/dbraw/zinc/86/73/91/429867391.db2.gz	UYGWVWWKBLQLKB-HZPDHXFCSA-N	0	3	321.465	2.609	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NCCN1CCCCCC1	ZINC000432269383	429812051	/nfs/dbraw/zinc/81/20/51/429812051.db2.gz	RCSDWKRHUVANNP-UHFFFAOYSA-N	0	3	300.406	2.864	20	30		DFEDHN
CC#CCCN1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000368623061	429879042	/nfs/dbraw/zinc/87/90/42/429879042.db2.gz	HPVYSALMNRXXCF-GOSISDBHSA-N	0	3	320.477	2.529	20	30		DFEDHN
CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)CC[C@H]1C(F)(F)F	ZINC000528478847	429892228	/nfs/dbraw/zinc/89/22/28/429892228.db2.gz	SKXXFNNWOSKMES-NWDGAFQWSA-N	0	3	304.356	2.952	20	30		DFEDHN
C[C@@]1(CNC(=O)NCCCC#N)CCCN1Cc1ccccc1	ZINC000368800843	429895256	/nfs/dbraw/zinc/89/52/56/429895256.db2.gz	SNULUXABKVAHCA-SFHVURJKSA-N	0	3	314.433	2.644	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1C[C@@H](c2cccc(OC)c2)C(C)(C)C1	ZINC000528621173	429902650	/nfs/dbraw/zinc/90/26/50/429902650.db2.gz	OPNQWCDUYFIYKP-YOEHRIQHSA-N	0	3	316.445	2.811	20	30		DFEDHN
Cn1ccnc1[C@@H](O)C1CCN(CCCCC(C)(C)C#N)CC1	ZINC000368998538	429906143	/nfs/dbraw/zinc/90/61/43/429906143.db2.gz	AUWOBURBSRKUTD-INIZCTEOSA-N	0	3	318.465	2.886	20	30		DFEDHN
COC1(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCOCC1	ZINC000369020302	429908126	/nfs/dbraw/zinc/90/81/26/429908126.db2.gz	WIPPXZFEWJMKNY-ROUUACIJSA-N	0	3	314.429	2.954	20	30		DFEDHN
COC1(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCOCC1	ZINC000369020301	429908187	/nfs/dbraw/zinc/90/81/87/429908187.db2.gz	WIPPXZFEWJMKNY-QZTJIDSGSA-N	0	3	314.429	2.954	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@H](c3cn(C)c4ccccc34)C2)C1=O	ZINC000369058670	429909625	/nfs/dbraw/zinc/90/96/25/429909625.db2.gz	YQGFINIFCFLLFX-HNAYVOBHSA-N	0	3	323.440	2.755	20	30		DFEDHN
COC[C@]1(NCc2ccc(C#N)cc2C)COc2ccccc2C1	ZINC000528750722	429912188	/nfs/dbraw/zinc/91/21/88/429912188.db2.gz	WBHWZOFZIBPJEU-FQEVSTJZSA-N	0	3	322.408	2.977	20	30		DFEDHN
CCCN1CCN(C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000369152851	429916173	/nfs/dbraw/zinc/91/61/73/429916173.db2.gz	AYAITGJTKNYFEJ-UHFFFAOYSA-N	0	3	312.461	2.555	20	30		DFEDHN
N#CCC[C@@H](C#N)CNCC1CCN(C(=O)c2ccccc2)CC1	ZINC000558423405	429971941	/nfs/dbraw/zinc/97/19/41/429971941.db2.gz	KSQRQRDTZJRACJ-KRWDZBQOSA-N	0	3	324.428	2.572	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccc(Cl)c1	ZINC000369363965	429930471	/nfs/dbraw/zinc/93/04/71/429930471.db2.gz	OYNDOVPAIWCQNM-UKRRQHHQSA-N	0	3	319.836	2.999	20	30		DFEDHN
N#CC(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)C(=O)N1CCCC1	ZINC000528914784	429933065	/nfs/dbraw/zinc/93/30/65/429933065.db2.gz	MKZSFZYZRIDQBG-ARFHVFGLSA-N	0	3	314.360	2.651	20	30		DFEDHN
CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1	ZINC000528915335	429933880	/nfs/dbraw/zinc/93/38/80/429933880.db2.gz	CGMOTNIDIIFWDB-SOUVJXGZSA-N	0	3	302.349	2.553	20	30		DFEDHN
CCc1ccccc1CNC[C@H](O)COc1ccc(CC#N)cc1	ZINC000573359634	429946724	/nfs/dbraw/zinc/94/67/24/429946724.db2.gz	ZFGQFAOOVDKHEJ-IBGZPJMESA-N	0	3	324.424	2.845	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1	ZINC000529000087	429948576	/nfs/dbraw/zinc/94/85/76/429948576.db2.gz	PWMDHARKHYZMTJ-DMGVNNLFSA-N	0	3	309.369	2.866	20	30		DFEDHN
C=CCN(C(=O)NC[C@H]1CCN1C1CCCCC1)[C@H](C)COC	ZINC000637368002	430036865	/nfs/dbraw/zinc/03/68/65/430036865.db2.gz	NEOWWLHWZYQKFJ-NVXWUHKLSA-N	0	3	323.481	2.626	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000560379070	430037602	/nfs/dbraw/zinc/03/76/02/430037602.db2.gz	MUUXVPSEHZLLKT-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000574403752	430038364	/nfs/dbraw/zinc/03/83/64/430038364.db2.gz	FSVXMFMXRLYBKO-QFBILLFUSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCCCCCNC(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637255498	430009356	/nfs/dbraw/zinc/00/93/56/430009356.db2.gz	LZIUPZZMLMJGSU-YESZJQIVSA-N	0	3	323.481	2.674	20	30		DFEDHN
C=CCC1(C(=O)N(C)[C@H](C)C2CCN(C)CC2)CCOCC1	ZINC000574087879	430009557	/nfs/dbraw/zinc/00/95/57/430009557.db2.gz	VKCPNCSKLUTZAU-OAHLLOKOSA-N	0	3	308.466	2.548	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000574135966	430013369	/nfs/dbraw/zinc/01/33/69/430013369.db2.gz	GRCPBCGLCZAKAY-IAGOWNOFSA-N	0	3	311.429	2.817	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1=O	ZINC000639907396	430017628	/nfs/dbraw/zinc/01/76/28/430017628.db2.gz	CKJVSPXDRRYTQF-OAGGEKHMSA-N	0	3	320.820	2.547	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCN2C2CCCC2)c1	ZINC000530030382	430096256	/nfs/dbraw/zinc/09/62/56/430096256.db2.gz	YBTISVFPNBBBMT-CQSZACIVSA-N	0	3	317.820	2.958	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000561770766	430098748	/nfs/dbraw/zinc/09/87/48/430098748.db2.gz	WBKROUBKNMBHIN-INIZCTEOSA-N	0	3	306.409	2.766	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@]2(CC=CCC2)C1	ZINC000530335891	430112466	/nfs/dbraw/zinc/11/24/66/430112466.db2.gz	HHEJPPSYRLCTIJ-RDJZCZTQSA-N	0	3	301.434	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC1(CF)CCC1)C(C)C	ZINC000575278993	430067618	/nfs/dbraw/zinc/06/76/18/430067618.db2.gz	CGEVBMZFWBMCNJ-OAHLLOKOSA-N	0	3	311.445	2.876	20	30		DFEDHN
Cc1nc(Nc2cccc3c2OCC[C@H]3N(C)C)ccc1C#N	ZINC000579185459	430124180	/nfs/dbraw/zinc/12/41/80/430124180.db2.gz	HISMHSWKKMGFIM-MRXNPFEDSA-N	0	3	308.385	3.391	20	30		DFEDHN
COc1cccc(CCNCc2cc(C#N)cs2)c1OC	ZINC000530879504	430127117	/nfs/dbraw/zinc/12/71/17/430127117.db2.gz	VLNGNFRFNGQZJT-UHFFFAOYSA-N	0	3	302.399	2.969	20	30		DFEDHN
CC1(C2CC2)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000580678662	430144040	/nfs/dbraw/zinc/14/40/40/430144040.db2.gz	NCGOSMGLKRXUNQ-UHFFFAOYSA-N	0	3	311.429	2.687	20	30		DFEDHN
COCCN(C)c1ccc(CNCc2ccc(CC#N)cc2)cn1	ZINC000564960878	430201525	/nfs/dbraw/zinc/20/15/25/430201525.db2.gz	KDJRKFIVNDXASP-UHFFFAOYSA-N	0	3	324.428	2.520	20	30		DFEDHN
Cn1c(C#N)ccc1C(=O)N(CCN1CCCC1)c1ccccc1	ZINC000581291138	430195138	/nfs/dbraw/zinc/19/51/38/430195138.db2.gz	JYJAHFUMMVKWFP-UHFFFAOYSA-N	0	3	322.412	2.639	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC(CC#N)CC2)c1C	ZINC000541952246	430196538	/nfs/dbraw/zinc/19/65/38/430196538.db2.gz	MOCVEEPYPRFATN-GOSISDBHSA-N	0	3	316.445	2.977	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)cc1OC	ZINC000162656891	277344753	/nfs/dbraw/zinc/34/47/53/277344753.db2.gz	XIXVSHCQOYMNOI-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000565695823	430222644	/nfs/dbraw/zinc/22/26/44/430222644.db2.gz	KPWOLOIFVUIGQC-UPJWGTAASA-N	0	3	303.793	2.727	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000565492733	430215516	/nfs/dbraw/zinc/21/55/16/430215516.db2.gz	MYOILJVPDBWQCS-NXHRZFHOSA-N	0	3	311.429	2.627	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(CC#N)cc1)C2	ZINC000566220279	430247764	/nfs/dbraw/zinc/24/77/64/430247764.db2.gz	JEPAQWXOUMXESV-QGZVFWFLSA-N	0	3	308.381	2.855	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)cc1	ZINC000566174569	430248666	/nfs/dbraw/zinc/24/86/66/430248666.db2.gz	UGLMKCILESBIRM-KRWDZBQOSA-N	0	3	302.418	2.751	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1Cl	ZINC000543634680	430255939	/nfs/dbraw/zinc/25/59/39/430255939.db2.gz	BOAGGPVZQRKCIG-AWEZNQCLSA-N	0	3	317.820	2.958	20	30		DFEDHN
CC#CCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000566935840	430274997	/nfs/dbraw/zinc/27/49/97/430274997.db2.gz	ADRPDLZXXLRNLW-QGZVFWFLSA-N	0	3	312.457	2.811	20	30		DFEDHN
N#CC1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1	ZINC000565765896	430226388	/nfs/dbraw/zinc/22/63/88/430226388.db2.gz	ROWCYZZNJXRKPB-SFHVURJKSA-N	0	3	322.412	2.785	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CNCc2ccc(C#N)s2)c1	ZINC000566119005	430240494	/nfs/dbraw/zinc/24/04/94/430240494.db2.gz	NJAOMTQVMYQAMF-AWEZNQCLSA-N	0	3	316.426	2.766	20	30		DFEDHN
CCSc1ccc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)cc1	ZINC000566107922	430240720	/nfs/dbraw/zinc/24/07/20/430240720.db2.gz	SAONDKCUUMGWAJ-GDBMZVCRSA-N	0	3	321.490	2.656	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(OCC2CCCCC2)CC1	ZINC000567660096	430287014	/nfs/dbraw/zinc/28/70/14/430287014.db2.gz	CDLNVGLVSXUHMY-KRWDZBQOSA-N	0	3	321.465	2.595	20	30		DFEDHN
CN(C(=O)CCN1CCc2ccccc2C1)c1cccc(C#N)c1	ZINC000568370380	430351629	/nfs/dbraw/zinc/35/16/29/430351629.db2.gz	GLMSOZCTHYZBHZ-UHFFFAOYSA-N	0	3	319.408	2.969	20	30		DFEDHN
CC(C)(C)N1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000545218782	430308670	/nfs/dbraw/zinc/30/86/70/430308670.db2.gz	FHSNANWGNNNASA-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
Cc1cnccc1CCN(C)CCOCc1ccc(C#N)cc1	ZINC000582962879	430351475	/nfs/dbraw/zinc/35/14/75/430351475.db2.gz	WQFFWCNJBGTTEI-UHFFFAOYSA-N	0	3	309.413	2.953	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](O)CC12CCC2	ZINC000568985672	430411924	/nfs/dbraw/zinc/41/19/24/430411924.db2.gz	PFKWVAIZNNUYSR-DLBZAZTESA-N	0	3	312.413	2.665	20	30		DFEDHN
C=CCC[C@H](NC(=O)[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000635717435	430358343	/nfs/dbraw/zinc/35/83/43/430358343.db2.gz	OKUXDHCKDMEETM-FGTMMUONSA-N	0	3	314.429	2.673	20	30		DFEDHN
CC(C)N1CC[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O	ZINC000568702620	430382909	/nfs/dbraw/zinc/38/29/09/430382909.db2.gz	YZCUDBJLQXSNKI-MSOLQXFVSA-N	0	3	311.429	2.925	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000547416496	430392710	/nfs/dbraw/zinc/39/27/10/430392710.db2.gz	CXHUGNRXQQFPBN-OCCSQVGLSA-N	0	3	316.405	2.513	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000583427177	430393947	/nfs/dbraw/zinc/39/39/47/430393947.db2.gz	LDYRRJZKVMSZEA-UHFFFAOYSA-N	0	3	315.392	2.645	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cnc(-c2ccc(C)cc2)s1	ZINC000641769708	430466423	/nfs/dbraw/zinc/46/64/23/430466423.db2.gz	YKSPOLOFSMJDFE-HNNXBMFYSA-N	0	3	300.427	2.982	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000641768647	430466639	/nfs/dbraw/zinc/46/66/39/430466639.db2.gz	FDWNLYMBXNCUPL-ZDUSSCGKSA-N	0	3	313.344	2.551	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1	ZINC000641766905	430466674	/nfs/dbraw/zinc/46/66/74/430466674.db2.gz	DNZZWZVJEVGNIH-GFCCVEGCSA-N	0	3	319.298	2.631	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccccc1OCc1ccncc1	ZINC000641768825	430467061	/nfs/dbraw/zinc/46/70/61/430467061.db2.gz	JIPCEZRCMTWPHK-GOSISDBHSA-N	0	3	310.397	2.525	20	30		DFEDHN
CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccc(F)cc1	ZINC000590574887	430486746	/nfs/dbraw/zinc/48/67/46/430486746.db2.gz	QSJBENFMYKHNAN-LBPRGKRZSA-N	0	3	324.812	3.522	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	ZINC000594444136	430500754	/nfs/dbraw/zinc/50/07/54/430500754.db2.gz	LKHCKMQNBHIZND-AWEZNQCLSA-N	0	3	317.437	3.197	20	30		DFEDHN
CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)Cc1ccccc1	ZINC000596054141	430505969	/nfs/dbraw/zinc/50/59/69/430505969.db2.gz	JFOTVKRPMCCIJY-GFCCVEGCSA-N	0	3	320.849	3.253	20	30		DFEDHN
CCc1ccc(CN(C)C[C@H](O)COc2ccccc2C#N)cc1	ZINC000599255953	430527801	/nfs/dbraw/zinc/52/78/01/430527801.db2.gz	GGTPVMBHUNBOMF-IBGZPJMESA-N	0	3	324.424	2.992	20	30		DFEDHN
CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(F)c1C#N	ZINC000570306733	430531977	/nfs/dbraw/zinc/53/19/77/430531977.db2.gz	SUCZMTMIHZRUPK-ZDUSSCGKSA-N	0	3	303.381	2.644	20	30		DFEDHN
COc1cc(CN[C@H]2C[C@H](CO)c3ccccc32)ccc1C#N	ZINC000375606261	277820277	/nfs/dbraw/zinc/82/02/77/277820277.db2.gz	HJHDHRSMULQUFE-QAPCUYQASA-N	0	3	308.381	2.877	20	30		DFEDHN
Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1C#N	ZINC000570859751	430583418	/nfs/dbraw/zinc/58/34/18/430583418.db2.gz	GGCASYORZWPDFO-MFKMUULPSA-N	0	3	306.435	2.778	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(CC)cc1)C(C)C	ZINC000015522518	277866654	/nfs/dbraw/zinc/86/66/54/277866654.db2.gz	YYGZLVKWXZSNAT-QGZVFWFLSA-N	0	3	317.433	2.548	20	30		DFEDHN
Cc1cc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc(C#N)n1	ZINC000570952613	430592245	/nfs/dbraw/zinc/59/22/45/430592245.db2.gz	RUZUJQUPUHGGAO-RDJZCZTQSA-N	0	3	306.413	2.931	20	30		DFEDHN
C=CCCCCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000570462863	430546758	/nfs/dbraw/zinc/54/67/58/430546758.db2.gz	XOMFQGNHPUQPCA-MRXNPFEDSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1NCCCC1(C)C	ZINC000644014912	430649973	/nfs/dbraw/zinc/64/99/73/430649973.db2.gz	HQGCPZTVWMLZDF-QGZVFWFLSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000554890571	430655278	/nfs/dbraw/zinc/65/52/78/430655278.db2.gz	QMZUOFJMUMJADU-QGZVFWFLSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000275848369	277918179	/nfs/dbraw/zinc/91/81/79/277918179.db2.gz	VWSQBIXIWHRJTJ-IEBWSBKVSA-N	0	3	318.461	2.943	20	30		DFEDHN
C=CCOc1cccc(CN2CCCC[C@@H]2CNC(C)=O)c1	ZINC000639370882	430623870	/nfs/dbraw/zinc/62/38/70/430623870.db2.gz	MLTNATUGMSQYAZ-QGZVFWFLSA-N	0	3	302.418	2.742	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1scc(C)c1C#N	ZINC000571414573	430626907	/nfs/dbraw/zinc/62/69/07/430626907.db2.gz	SUUCHRGIZQYJQZ-GFCCVEGCSA-N	0	3	306.435	2.876	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(CCO)(CCO)CC2)c1	ZINC000639394037	430633567	/nfs/dbraw/zinc/63/35/67/430633567.db2.gz	GTBXUYKKWGAYDT-UHFFFAOYSA-N	0	3	319.445	2.598	20	30		DFEDHN
CC[C@@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000554487854	430637612	/nfs/dbraw/zinc/63/76/12/430637612.db2.gz	VOPAWLHUJQFEAT-LPHOPBHVSA-N	0	3	310.445	2.856	20	30		DFEDHN
N#Cc1c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cn2ccccc12	ZINC000556289804	430683313	/nfs/dbraw/zinc/68/33/13/430683313.db2.gz	UUJVZTOERWLRKB-SUMDDJOVSA-N	0	3	309.413	2.936	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc(C#N)cc1	ZINC000370537577	278372389	/nfs/dbraw/zinc/37/23/89/278372389.db2.gz	FWDMHGWTOGRKBR-RDTXWAMCSA-N	0	3	320.396	2.519	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)[C@@]1(O)CCCOC1	ZINC000657764552	430729685	/nfs/dbraw/zinc/72/96/85/430729685.db2.gz	CXNFRJDJKAFWMQ-LJQANCHMSA-N	0	3	319.445	2.909	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)[C@]1(O)CCCOC1	ZINC000657764551	430730138	/nfs/dbraw/zinc/73/01/38/430730138.db2.gz	CXNFRJDJKAFWMQ-IBGZPJMESA-N	0	3	319.445	2.909	20	30		DFEDHN
C=CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000661569310	430759741	/nfs/dbraw/zinc/75/97/41/430759741.db2.gz	LHRXKIDKVVGPHW-IAGOWNOFSA-N	0	3	301.434	2.945	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncc(Cl)c(OCC)n2)CC1	ZINC000651308507	430763561	/nfs/dbraw/zinc/76/35/61/430763561.db2.gz	RKJFQUFHWNURIP-UHFFFAOYSA-N	0	3	310.829	2.981	20	30		DFEDHN
C=C(CNC[C@@H](O)COCc1cccs1)c1ccccc1	ZINC000644647235	430778691	/nfs/dbraw/zinc/77/86/91/430778691.db2.gz	JDNMRQXJSWAAPY-MRXNPFEDSA-N	0	3	303.427	2.929	20	30		DFEDHN
C=CCN(CCN(Cc1ccccc1)S(C)(=O)=O)C(C)(C)C	ZINC000661759657	430832102	/nfs/dbraw/zinc/83/21/02/430832102.db2.gz	JMMUXLCLXDESJN-UHFFFAOYSA-N	0	3	324.490	2.735	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc2cc(C)nn2c1C	ZINC000651452887	430798127	/nfs/dbraw/zinc/79/81/27/430798127.db2.gz	ZRCRGCDXTGHLNP-MAZHCROVSA-N	0	3	300.406	2.730	20	30		DFEDHN
C=CCCN(C)C(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000661666528	430798640	/nfs/dbraw/zinc/79/86/40/430798640.db2.gz	ZSXLNFKALJRYPW-UHFFFAOYSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CC[C@H]1CC[C@@H](NCc2ccccc2S(=O)(=O)N(C)C)C1	ZINC000651673680	430846627	/nfs/dbraw/zinc/84/66/27/430846627.db2.gz	SZWIRSHDBHBTAS-GOEBONIOSA-N	0	3	322.474	2.771	20	30		DFEDHN
C=CC[C@@H]1CC[C@H]([NH2+]CCCNC(=O)c2cccc([O-])c2)C1	ZINC000651694563	430850873	/nfs/dbraw/zinc/85/08/73/430850873.db2.gz	HRWLHICKZUIWIK-ZBFHGGJFSA-N	0	3	302.418	2.847	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)[C@@H]1CCN(C)C1	ZINC000665151015	430837808	/nfs/dbraw/zinc/83/78/08/430837808.db2.gz	NQFAIYWVLLAGMF-QZTJIDSGSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1CCC(OC)CC1	ZINC000665391783	430919693	/nfs/dbraw/zinc/91/96/93/430919693.db2.gz	KHNJANXPMYONLE-NVXWUHKLSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCC1(NC(=O)Nc2ccc3c(c2)CNCC3)CCOCC1	ZINC000659017638	430940263	/nfs/dbraw/zinc/94/02/63/430940263.db2.gz	JKOZOSAUFDQMBT-UHFFFAOYSA-N	0	3	315.417	2.579	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccccc1OC	ZINC000662081640	430952843	/nfs/dbraw/zinc/95/28/43/430952843.db2.gz	PWCQEVUIOUMNMA-CALCHBBNSA-N	0	3	314.429	2.537	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(C)(CC(F)F)C2)CC1	ZINC000645264615	430955804	/nfs/dbraw/zinc/95/58/04/430955804.db2.gz	MNRCGYZFKRETOB-UHFFFAOYSA-N	0	3	315.408	2.714	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000649240988	431039709	/nfs/dbraw/zinc/03/97/09/431039709.db2.gz	BFBVLFGZPHSTHW-GFCCVEGCSA-N	0	3	301.333	2.665	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(c2nc(-c3ccccc3)no2)CC1	ZINC000649286254	431058166	/nfs/dbraw/zinc/05/81/66/431058166.db2.gz	NDYBNNAKPARSFH-MRXNPFEDSA-N	0	3	313.401	2.853	20	30		DFEDHN
C=CCC1(NC(=O)Nc2cnn(CCN(C)C)c2)CCCCC1	ZINC000652631457	431104620	/nfs/dbraw/zinc/10/46/20/431104620.db2.gz	SAXRBNPXWFOYQP-UHFFFAOYSA-N	0	3	319.453	2.845	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21	ZINC000370465036	279271899	/nfs/dbraw/zinc/27/18/99/279271899.db2.gz	XMMLFOAYQHDMFH-AWEZNQCLSA-N	0	3	309.369	2.593	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2CC)c(OC)c1	ZINC000292413201	335089488	/nfs/dbraw/zinc/08/94/88/335089488.db2.gz	MEYQMVHBUKXYLG-HOTGVXAUSA-N	0	3	305.418	2.648	20	30		DFEDHN
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000181729076	279500903	/nfs/dbraw/zinc/50/09/03/279500903.db2.gz	QWTJWUAVAOGBGW-KXBFYZLASA-N	0	3	321.424	2.908	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@H](CN)C(F)(F)F)CCCC1(C)C	ZINC000655926242	431221712	/nfs/dbraw/zinc/22/17/12/431221712.db2.gz	DTJXALXQONIOFK-GHMZBOCLSA-N	0	3	307.360	2.652	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1	ZINC000656364539	431364642	/nfs/dbraw/zinc/36/46/42/431364642.db2.gz	YJLPTZJIHHHYIN-UHFFFAOYSA-N	0	3	314.429	3.000	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000663457276	431426153	/nfs/dbraw/zinc/42/61/53/431426153.db2.gz	DXXDGYNZWZYVDH-KRWDZBQOSA-N	0	3	317.433	2.707	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC2CC1(C)C2)C(C)C	ZINC000663667023	431490598	/nfs/dbraw/zinc/49/05/98/431490598.db2.gz	CLWTUUUXODWFGO-UPTPFMHGSA-N	0	3	305.466	2.879	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000660705748	431558417	/nfs/dbraw/zinc/55/84/17/431558417.db2.gz	FKZJEKZHILMMBH-KBXCAEBGSA-N	0	3	313.445	2.664	20	30		DFEDHN
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000287384734	280101188	/nfs/dbraw/zinc/10/11/88/280101188.db2.gz	XYVGFKYIUBHBTA-LRDDRELGSA-N	0	3	317.820	2.910	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CCCC12CCN(C)CC2	ZINC000372442334	280202560	/nfs/dbraw/zinc/20/25/60/280202560.db2.gz	MOMYJWDALFWPQK-UHFFFAOYSA-N	0	3	312.417	2.959	20	30		DFEDHN
C=CCC1(NC(=O)NC2CCN(CCCOC)CC2)CCCC1	ZINC000663937850	431599269	/nfs/dbraw/zinc/59/92/69/431599269.db2.gz	SUFMVMJQGJWHKY-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN1CCC[C@H](C)C1	ZINC000660840722	431623452	/nfs/dbraw/zinc/62/34/52/431623452.db2.gz	IWLQCSWMQQQVKM-PQEBFOHHSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN1CCC[C@@H](C)C1	ZINC000660840714	431623482	/nfs/dbraw/zinc/62/34/82/431623482.db2.gz	IWLQCSWMQQQVKM-DZUCGIPZSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H](c2ccc(C)cc2)N(C)C)nn1	ZINC000657335194	431682843	/nfs/dbraw/zinc/68/28/43/431682843.db2.gz	MNYOTBSWOCPUNQ-SFHVURJKSA-N	0	3	313.449	2.555	20	30		DFEDHN
C=CCCn1cc(CNCCc2c[nH]c3ccc(F)cc23)nn1	ZINC000657364329	431703100	/nfs/dbraw/zinc/70/31/00/431703100.db2.gz	XJPLHKFLDSHSQH-UHFFFAOYSA-N	0	3	313.380	2.807	20	30		DFEDHN
C=CCCn1cc(CNC[C@@H]2CCCO[C@@H]2C(C)(C)C)nn1	ZINC000657363744	431703258	/nfs/dbraw/zinc/70/32/58/431703258.db2.gz	BCUBAMZSORXMJJ-HOCLYGCPSA-N	0	3	306.454	2.785	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1	ZINC000654308680	431735125	/nfs/dbraw/zinc/73/51/25/431735125.db2.gz	QAZIYWSHOFBUOI-MSOLQXFVSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1cc(C)cc(C)c1)[C@@H](C)COC	ZINC000661247681	431794468	/nfs/dbraw/zinc/79/44/68/431794468.db2.gz	QGWAQNDCWAWIFT-DLBZAZTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccc(C)cc1C)[C@@H](C)COC	ZINC000661245802	431795373	/nfs/dbraw/zinc/79/53/73/431795373.db2.gz	CZRHXRDNYIRZRM-IRXDYDNUSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2OC)C1	ZINC000661379564	431837161	/nfs/dbraw/zinc/83/71/61/431837161.db2.gz	ZRDPTZCSTBKSRH-HZPDHXFCSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2cccc(COC)c2)C1	ZINC000661380768	431838236	/nfs/dbraw/zinc/83/82/36/431838236.db2.gz	PIIJXRMKVOXRNC-MRXNPFEDSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2ccccc2COC)C1	ZINC000661379771	431838361	/nfs/dbraw/zinc/83/83/61/431838361.db2.gz	IGBUOKLZHFSADW-MRXNPFEDSA-N	0	3	316.445	2.737	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNC(=O)c1sccc1C#N	ZINC000154127885	295292752	/nfs/dbraw/zinc/29/27/52/295292752.db2.gz	WQNARKSTFOSVFV-CQSZACIVSA-N	0	3	305.447	2.860	20	30		DFEDHN
COc1ccccc1N1CC[C@H](NCc2cc(C#N)cs2)C1	ZINC000154425862	295300119	/nfs/dbraw/zinc/30/01/19/295300119.db2.gz	MJCNMLSMTPZBQN-AWEZNQCLSA-N	0	3	313.426	2.997	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N(c3ccccc3)C1)CC2	ZINC000516896121	300367013	/nfs/dbraw/zinc/36/70/13/300367013.db2.gz	AWYPXRLTHMXREU-VQIMIIECSA-N	0	3	317.392	2.941	20	30		DFEDHN
CN(C)CCN(C(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000530909430	301071373	/nfs/dbraw/zinc/07/13/73/301071373.db2.gz	HJRZGWIIUCYLSQ-UHFFFAOYSA-N	0	3	307.397	2.696	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)c(F)c1	ZINC000537408364	301299309	/nfs/dbraw/zinc/29/93/09/301299309.db2.gz	WPLNGWMDOWCMHI-XJKSGUPXSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)c(F)c1	ZINC000537408363	301299606	/nfs/dbraw/zinc/29/96/06/301299606.db2.gz	WPLNGWMDOWCMHI-CZUORRHYSA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000538684014	301327050	/nfs/dbraw/zinc/32/70/50/301327050.db2.gz	WIOABRLOWPGTLU-SMDDNHRTSA-N	0	3	303.793	2.520	20	30		DFEDHN
CN1CCN(Cc2ccc(NCc3ccc(C#N)cc3)cc2)CC1	ZINC000539922917	301353871	/nfs/dbraw/zinc/35/38/71/301353871.db2.gz	PKUNLBMPFQAZRE-UHFFFAOYSA-N	0	3	320.440	2.918	20	30		DFEDHN
COC(C)(C)CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000541845014	301398177	/nfs/dbraw/zinc/39/81/77/301398177.db2.gz	KZBHBMCEYYLKHA-UHFFFAOYSA-N	0	3	312.417	2.816	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CC[C@H](C3CCCC3)C2)c1	ZINC000562933570	302014509	/nfs/dbraw/zinc/01/45/09/302014509.db2.gz	QAAVLNZVBILULG-SFHVURJKSA-N	0	3	311.429	2.687	20	30		DFEDHN
C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC2(CCC2)O1	ZINC000563082027	302035678	/nfs/dbraw/zinc/03/56/78/302035678.db2.gz	UEHDPEXJRYYQHI-OAHLLOKOSA-N	0	3	300.402	2.971	20	30		DFEDHN
COc1cccc([C@@H](CNc2cncc(C#N)n2)N2CCCC2)c1	ZINC000563614975	302087191	/nfs/dbraw/zinc/08/71/91/302087191.db2.gz	VLVAVPUAPFOMDU-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
N#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)nc1	ZINC000564342907	302130492	/nfs/dbraw/zinc/13/04/92/302130492.db2.gz	UUDZKRBDENDINA-UHFFFAOYSA-N	0	3	321.428	2.866	20	30		DFEDHN
CC1CCN([C@@H](CNc2ccnc(C#N)n2)c2ccccc2)CC1	ZINC000565223539	302209675	/nfs/dbraw/zinc/20/96/75/302209675.db2.gz	ZTVSUEAZFGVFAF-KRWDZBQOSA-N	0	3	321.428	2.655	20	30		DFEDHN
CC1(C)C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)O1	ZINC000566300179	302276860	/nfs/dbraw/zinc/27/68/60/302276860.db2.gz	FAHJYXOZNIMNLN-AWEZNQCLSA-N	0	3	303.362	2.902	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCc2ccccc2C1	ZINC000567896456	302397171	/nfs/dbraw/zinc/39/71/71/302397171.db2.gz	OWQHPRMFXGUUDI-SFHVURJKSA-N	0	3	317.396	2.590	20	30		DFEDHN
C[C@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1ccccc1Cl	ZINC000570633042	302583186	/nfs/dbraw/zinc/58/31/86/302583186.db2.gz	WQVVKWBJLQYEQO-RYUDHWBXSA-N	0	3	315.808	2.801	20	30		DFEDHN
CCCCOC[C@H](O)CN[C@H]1CCCc2cc(C#N)ccc21	ZINC000573199825	302695576	/nfs/dbraw/zinc/69/55/76/302695576.db2.gz	IBMSUGWSPAZZJK-AEFFLSMTSA-N	0	3	302.418	2.703	20	30		DFEDHN
Cn1c(CCNCc2cc(C#N)cs2)nc2cc(F)ccc21	ZINC000177703913	315984900	/nfs/dbraw/zinc/98/49/00/315984900.db2.gz	HTHKRKBGDPLWME-UHFFFAOYSA-N	0	3	314.389	2.978	20	30		DFEDHN
N#Cc1csc(CNCCc2cc(F)cc3c2OCOC3)c1	ZINC000177696362	315984937	/nfs/dbraw/zinc/98/49/37/315984937.db2.gz	GGIAYENGEOXJDI-UHFFFAOYSA-N	0	3	318.373	2.958	20	30		DFEDHN
C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000316985725	316247063	/nfs/dbraw/zinc/24/70/63/316247063.db2.gz	KROSBRFEATWRAD-YCPHGPKFSA-N	0	3	320.458	2.746	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CNCc2ccc(C#N)c(C)c2)c1	ZINC000443978736	316964784	/nfs/dbraw/zinc/96/47/84/316964784.db2.gz	LMECONPRGPPKPS-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
Cc1cnc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000574633647	318029490	/nfs/dbraw/zinc/02/94/90/318029490.db2.gz	FRJVBHGIYQAJJH-KRWDZBQOSA-N	0	3	322.412	2.661	20	30		DFEDHN
Cc1cc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)ccc1C#N	ZINC000574993630	318056038	/nfs/dbraw/zinc/05/60/38/318056038.db2.gz	GDHSVMMTPHAIQM-KRWDZBQOSA-N	0	3	311.429	2.890	20	30		DFEDHN
Cc1ccccc1C[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000575060180	318060229	/nfs/dbraw/zinc/06/02/29/318060229.db2.gz	ZWMOLYFCMWSNIH-OAHLLOKOSA-N	0	3	319.412	2.972	20	30		DFEDHN
Cn1cc(CNCCOCC2CCC2)c(-c2ccc(C#N)cc2)n1	ZINC000576323649	318118167	/nfs/dbraw/zinc/11/81/67/318118167.db2.gz	FQKAAHSYBVYOSJ-UHFFFAOYSA-N	0	3	324.428	2.865	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1	ZINC000579126546	318309276	/nfs/dbraw/zinc/30/92/76/318309276.db2.gz	OBHSKCOHWWOTCV-MRXNPFEDSA-N	0	3	315.373	2.905	20	30		DFEDHN
N#Cc1ccc(CNCC[C@@H]2COc3ccccc3O2)s1	ZINC000579152412	318310971	/nfs/dbraw/zinc/31/09/71/318310971.db2.gz	BJUMAWRIBRENBB-GFCCVEGCSA-N	0	3	300.383	2.939	20	30		DFEDHN
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000579487910	318334678	/nfs/dbraw/zinc/33/46/78/318334678.db2.gz	PUBJSCUKTQPBFD-ZDUSSCGKSA-N	0	3	321.380	2.610	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1	ZINC000579589619	318340943	/nfs/dbraw/zinc/34/09/43/318340943.db2.gz	VRSURMUFZUSYBG-CQSZACIVSA-N	0	3	323.400	2.595	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CNCc2ccc(C#N)s2)c(C)c1	ZINC000579701262	318348500	/nfs/dbraw/zinc/34/85/00/318348500.db2.gz	AOBBZMVKVVUPAU-AWEZNQCLSA-N	0	3	316.426	2.766	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CC[C@H](C3CCCC3)C2)cc1	ZINC000579822530	318356377	/nfs/dbraw/zinc/35/63/77/318356377.db2.gz	COAOTNQMVRWMAX-SFHVURJKSA-N	0	3	311.429	2.687	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CCCCN2C2CC2)c1	ZINC000580166342	318380211	/nfs/dbraw/zinc/38/02/11/318380211.db2.gz	PGMZBMQITNPAAO-GBESFXJTSA-N	0	3	323.440	2.795	20	30		DFEDHN
C#CCN(C)CCCNc1nc(-c2cccnc2)nc(C)c1C	ZINC000292675516	335092915	/nfs/dbraw/zinc/09/29/15/335092915.db2.gz	DIQMWDBAZZZDJA-UHFFFAOYSA-N	0	3	309.417	2.522	20	30		DFEDHN
N#Cc1ccc(CN(CCC(=O)NC2CCCC2)C2CC2)cc1	ZINC000194957428	323275568	/nfs/dbraw/zinc/27/55/68/323275568.db2.gz	ZVLNYRIFGYHFCS-UHFFFAOYSA-N	0	3	311.429	2.972	20	30		DFEDHN
CN1CCN(Cc2ccc(Br)cc2C#N)CC1(C)C	ZINC000381696906	323294951	/nfs/dbraw/zinc/29/49/51/323294951.db2.gz	FTEVLIDNKCCAIE-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
Cc1cccc2c1CC[C@H]2NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000582176395	323628702	/nfs/dbraw/zinc/62/87/02/323628702.db2.gz	QYRFLBLQFCAQHC-OXQOHEQNSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000583630497	323889625	/nfs/dbraw/zinc/88/96/25/323889625.db2.gz	FYQCYVISEXJIIR-GOSISDBHSA-N	0	3	320.396	2.957	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000187231185	331506066	/nfs/dbraw/zinc/50/60/66/331506066.db2.gz	ULZAZCDBECBAKY-YJBOKZPZSA-N	0	3	304.434	2.777	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000187231224	331506148	/nfs/dbraw/zinc/50/61/48/331506148.db2.gz	ULZAZCDBECBAKY-MAUKXSAKSA-N	0	3	304.434	2.777	20	30		DFEDHN
C=CCCCCCN(C)C(=O)Nc1ccnn1CCN(C)C	ZINC000297436319	331598173	/nfs/dbraw/zinc/59/81/73/331598173.db2.gz	PKHHYZYIJRHVLR-UHFFFAOYSA-N	0	3	307.442	2.655	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNC2(C3CCC3)CCC2)cc1	ZINC000584038957	331648710	/nfs/dbraw/zinc/64/87/10/331648710.db2.gz	JEAFARVYVNXFIG-UHFFFAOYSA-N	0	3	318.442	2.644	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000293850922	332057769	/nfs/dbraw/zinc/05/77/69/332057769.db2.gz	AMIUBJWGTDVBOG-UHFFFAOYSA-N	0	3	313.228	2.607	20	30		DFEDHN
CC#CCCCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425003562	332077428	/nfs/dbraw/zinc/07/74/28/332077428.db2.gz	IIBJSKYMCVMAAC-RBUKOAKNSA-N	0	3	310.441	2.913	20	30		DFEDHN
COC(=O)c1ccccc1OCCN1CCC(CCC#N)CC1	ZINC000584289391	332217773	/nfs/dbraw/zinc/21/77/73/332217773.db2.gz	IOBYCWWLQJCPPQ-UHFFFAOYSA-N	0	3	316.401	2.868	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000367517736	332226669	/nfs/dbraw/zinc/22/66/69/332226669.db2.gz	LHNFIWCLQCHDJU-RTBURBONSA-N	0	3	310.441	2.784	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCC(F)(F)F)C(C)C	ZINC000119703505	332277368	/nfs/dbraw/zinc/27/73/68/332277368.db2.gz	XQEWGCBKWOLFSX-LBPRGKRZSA-N	0	3	307.360	2.547	20	30		DFEDHN
CC(C)(C)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000116309421	332310351	/nfs/dbraw/zinc/31/03/51/332310351.db2.gz	LVLTVCGDOJTRDM-INIZCTEOSA-N	0	3	318.465	2.791	20	30		DFEDHN
C[C@@H](NCC1(c2ccccc2)CCCC1)C(=O)N(C)CCC#N	ZINC000112519181	332314119	/nfs/dbraw/zinc/31/41/19/332314119.db2.gz	WFIWEGUHAGGTNA-MRXNPFEDSA-N	0	3	313.445	2.849	20	30		DFEDHN
CCOCCC[N@@H+]1CC[C@@H](/N=C/c2ccccc2[O-])[C@H](C)C1	ZINC000115184044	332330866	/nfs/dbraw/zinc/33/08/66/332330866.db2.gz	RLDCTCNGDUAXFH-JNCYRGSCSA-N	0	3	304.434	2.948	20	30		DFEDHN
CCOCCC[N@H+]1CC[C@@H](/N=C/c2ccccc2[O-])[C@H](C)C1	ZINC000115184044	332330868	/nfs/dbraw/zinc/33/08/68/332330868.db2.gz	RLDCTCNGDUAXFH-JNCYRGSCSA-N	0	3	304.434	2.948	20	30		DFEDHN
C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)N(CCC#N)CCC#N	ZINC000115552707	332333447	/nfs/dbraw/zinc/33/34/47/332333447.db2.gz	AFQFBOHGJHFUIP-WMZOPIPTSA-N	0	3	324.428	2.520	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000560415178	332337583	/nfs/dbraw/zinc/33/75/83/332337583.db2.gz	QDNLZDCTGQQCEW-BHIYHBOVSA-N	0	3	316.445	2.513	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](CN(C)C(=O)C(C)(C)C#N)C2)s1	ZINC000560482903	332344760	/nfs/dbraw/zinc/34/47/60/332344760.db2.gz	CTEKMMPPIKTEKR-CQSZACIVSA-N	0	3	319.474	2.887	20	30		DFEDHN
CCc1ccc(C#CC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1	ZINC000293681305	335112373	/nfs/dbraw/zinc/11/23/73/335112373.db2.gz	KVYBGKACLNQBMI-RBUKOAKNSA-N	0	3	310.441	2.543	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1	ZINC000248419494	332587996	/nfs/dbraw/zinc/58/79/96/332587996.db2.gz	LBPNEFIEPBRPIQ-BHYGNILZSA-N	0	3	305.466	2.857	20	30		DFEDHN
N#CCCn1cc(CN2C3CCC2CC3)c(-c2ccncc2)n1	ZINC000562455725	332594844	/nfs/dbraw/zinc/59/48/44/332594844.db2.gz	VSCQMOGLFJWNIB-UHFFFAOYSA-N	0	3	307.401	2.986	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCCCC#N	ZINC000171449257	333048530	/nfs/dbraw/zinc/04/85/30/333048530.db2.gz	KVPFNMKQDUNDGS-UHFFFAOYSA-N	0	3	320.412	2.593	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000185192406	335118116	/nfs/dbraw/zinc/11/81/16/335118116.db2.gz	PHIMGHIIIMNUAX-HNNXBMFYSA-N	0	3	304.434	2.846	20	30		DFEDHN
CC(C)CN(C(=O)c1cccc(CC#N)c1)C1CCN(C)CC1	ZINC000172202990	333059731	/nfs/dbraw/zinc/05/97/31/333059731.db2.gz	KXGLKQNPVSVXKB-UHFFFAOYSA-N	0	3	313.445	2.945	20	30		DFEDHN
C=C[C@H](CC(=O)Nc1ccnn1CCN(C)C)c1ccccc1	ZINC000294224823	335119427	/nfs/dbraw/zinc/11/94/27/335119427.db2.gz	WMHIAJSYWPAZSZ-OAHLLOKOSA-N	0	3	312.417	2.743	20	30		DFEDHN
CC(C)(CCC#N)CNCC(=O)Nc1ccc(F)c(F)c1F	ZINC000174242519	333083832	/nfs/dbraw/zinc/08/38/32/333083832.db2.gz	INEAJHZHSPOUTN-UHFFFAOYSA-N	0	3	313.323	2.962	20	30		DFEDHN
C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000177556768	333130155	/nfs/dbraw/zinc/13/01/55/333130155.db2.gz	NBWRWJWBIGMDSJ-WMZOPIPTSA-N	0	3	324.428	2.520	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](c1ccc(F)cc1F)C(C)(C)C	ZINC000294652353	335124985	/nfs/dbraw/zinc/12/49/85/335124985.db2.gz	QSKMRGMNUCUPJR-INIZCTEOSA-N	0	3	308.372	2.781	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C	ZINC000181083919	333167383	/nfs/dbraw/zinc/16/73/83/333167383.db2.gz	PHHFSRTVGDISQL-WMLDXEAASA-N	0	3	311.429	2.796	20	30		DFEDHN
C=CCC(F)(F)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000294599786	335126119	/nfs/dbraw/zinc/12/61/19/335126119.db2.gz	PLALBLULIILFSQ-OAHLLOKOSA-N	0	3	323.387	2.573	20	30		DFEDHN
C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)c1ccccc1	ZINC000181773114	333172300	/nfs/dbraw/zinc/17/23/00/333172300.db2.gz	NEPVTYZPYGDEIS-AUUYWEPGSA-N	0	3	313.445	2.751	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1	ZINC000182895381	333181046	/nfs/dbraw/zinc/18/10/46/333181046.db2.gz	CZHJPVILSRSMBD-HOTGVXAUSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000363879339	333189781	/nfs/dbraw/zinc/18/97/81/333189781.db2.gz	MDRNVUJGBKYSDL-OWCLPIDISA-N	0	3	324.465	2.787	20	30		DFEDHN
CSCC[C@@H](NCCCCC#N)c1nnc2ccccn21	ZINC000184606740	333198997	/nfs/dbraw/zinc/19/89/97/333198997.db2.gz	MYKVJMAVYCYUIK-CYBMUJFWSA-N	0	3	303.435	2.807	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H](CNCC2(C#N)CCC2)C1	ZINC000497174015	333203465	/nfs/dbraw/zinc/20/34/65/333203465.db2.gz	ZDFSDHMZOZNFFP-CQSZACIVSA-N	0	3	307.438	2.917	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@H](CN2CCOCC2)c2ccccc2)C1	ZINC000185761984	333213648	/nfs/dbraw/zinc/21/36/48/333213648.db2.gz	SOLWQDPLDRAYAX-YTQUADARSA-N	0	3	313.445	2.732	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCCCS(=O)(=O)c2ccccc2)C1	ZINC000185804310	333214427	/nfs/dbraw/zinc/21/44/27/333214427.db2.gz	MKLJNQBFTBDXQS-GJZGRUSLSA-N	0	3	306.431	2.522	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@H](C#N)C1	ZINC000185865968	333215135	/nfs/dbraw/zinc/21/51/35/333215135.db2.gz	QSTIVDBLTBHDMN-XHSDSOJGSA-N	0	3	320.458	2.911	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnn(C)c1Cl)C(C)C	ZINC000294877877	335128515	/nfs/dbraw/zinc/12/85/15/335128515.db2.gz	DEIYCALPNDIIBA-CQSZACIVSA-N	0	3	324.856	2.502	20	30		DFEDHN
N#CCSCCCN1CCC(Oc2ccc(F)nc2)CC1	ZINC000190560245	333272019	/nfs/dbraw/zinc/27/20/19/333272019.db2.gz	FRYHIFXWUHKWPO-UHFFFAOYSA-N	0	3	309.410	2.711	20	30		DFEDHN
C=CCC[C@@H](O)CN(CCOC)[C@H]1CCCc2cccnc21	ZINC000364329082	333289256	/nfs/dbraw/zinc/28/92/56/333289256.db2.gz	PNVOGSRMPMIMMH-SJORKVTESA-N	0	3	304.434	2.735	20	30		DFEDHN
C=CCC[C@H](O)CN(CCOC)[C@H]1CCCc2cccnc21	ZINC000364329081	333289454	/nfs/dbraw/zinc/28/94/54/333289454.db2.gz	PNVOGSRMPMIMMH-IRXDYDNUSA-N	0	3	304.434	2.735	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2(Cc3ccccc3)CC2)CC1	ZINC000185386632	335132412	/nfs/dbraw/zinc/13/24/12/335132412.db2.gz	HIJSXOKXUNIFIH-UHFFFAOYSA-N	0	3	313.445	2.711	20	30		DFEDHN
Cc1cc(C)nc(C2CCN(CCCSCC#N)CC2)n1	ZINC000364948728	333333208	/nfs/dbraw/zinc/33/32/08/333333208.db2.gz	FFVNELIQQUJPOD-UHFFFAOYSA-N	0	3	304.463	2.920	20	30		DFEDHN
CC#CCCCC(=O)Nc1cnn(CCN2CCCCC2)c1	ZINC000364943426	333333378	/nfs/dbraw/zinc/33/33/78/333333378.db2.gz	WEOJHZVFIIQKNN-UHFFFAOYSA-N	0	3	302.422	2.501	20	30		DFEDHN
C=C(C)CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000186296142	333373062	/nfs/dbraw/zinc/37/30/62/333373062.db2.gz	JUJIHUHIOOSJQV-CQSZACIVSA-N	0	3	308.447	2.795	20	30		DFEDHN
C=C(C)CN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000186296123	333373079	/nfs/dbraw/zinc/37/30/79/333373079.db2.gz	JUJIHUHIOOSJQV-AWEZNQCLSA-N	0	3	308.447	2.795	20	30		DFEDHN
CC(C)[C@H]1C[C@@H](NC[C@H](O)CN(C)CCC#N)c2ccccc21	ZINC000521427669	333381839	/nfs/dbraw/zinc/38/18/39/333381839.db2.gz	NDZNDZFLEIDBAZ-KFKAGJAMSA-N	0	3	315.461	2.667	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000528373712	333382412	/nfs/dbraw/zinc/38/24/12/333382412.db2.gz	VAPQVADDCZPEFP-HUUCEWRRSA-N	0	3	314.385	2.607	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000528373715	333383117	/nfs/dbraw/zinc/38/31/17/333383117.db2.gz	VAPQVADDCZPEFP-LSDHHAIUSA-N	0	3	314.385	2.607	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)CC2(N(C)C)CCC2)cc1	ZINC000295716580	335137358	/nfs/dbraw/zinc/13/73/58/335137358.db2.gz	GNIYCHBXANHDES-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1	ZINC000295992855	335139264	/nfs/dbraw/zinc/13/92/64/335139264.db2.gz	XFPVRJWUZRLLQN-YJBOKZPZSA-N	0	3	316.445	2.593	20	30		DFEDHN
C=C[C@@H](CO)N[C@H]1CCc2c1ccc(F)c2Br	ZINC000296133437	335141556	/nfs/dbraw/zinc/14/15/56/335141556.db2.gz	UQAPNOLRZMEFHV-UFBFGSQYSA-N	0	3	300.171	2.712	20	30		DFEDHN
Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1S(C)(=O)=O	ZINC000446899006	333459556	/nfs/dbraw/zinc/45/95/56/333459556.db2.gz	GAAWPEYDUVOUFR-ZFWWWQNUSA-N	0	3	306.431	2.571	20	30		DFEDHN
Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1S(C)(=O)=O	ZINC000446899004	333459627	/nfs/dbraw/zinc/45/96/27/333459627.db2.gz	GAAWPEYDUVOUFR-HIFRSBDPSA-N	0	3	306.431	2.571	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@@H](C)c1cc2ccccc2o1	ZINC000296473749	335142329	/nfs/dbraw/zinc/14/23/29/335142329.db2.gz	QKTKGUPCSKDWPY-AWEZNQCLSA-N	0	3	313.401	2.748	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCC#Cc1cccc(F)c1)N1CCCCC1	ZINC000338239123	333477644	/nfs/dbraw/zinc/47/76/44/333477644.db2.gz	FVYBIVXPCDUBAN-SFHVURJKSA-N	0	3	316.420	2.804	20	30		DFEDHN
CC1CCN(CCN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1	ZINC000366071661	333491145	/nfs/dbraw/zinc/49/11/45/333491145.db2.gz	FLMBVJJXWZUILX-ZWKOTPCHSA-N	0	3	305.466	2.646	20	30		DFEDHN
CC1CC(C#N)(C(=O)Nc2cccc(OCCN(C)C)c2)C1	ZINC000531816043	333565734	/nfs/dbraw/zinc/56/57/34/333565734.db2.gz	FTHGIICEZWQQEY-UHFFFAOYSA-N	0	3	301.390	2.505	20	30		DFEDHN
C#CCN(C)CCCNC(=O)Nc1ccc(OCC2CC2)cc1	ZINC000297196020	335151395	/nfs/dbraw/zinc/15/13/95/335151395.db2.gz	CKXVSJFHACPQGY-UHFFFAOYSA-N	0	3	315.417	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(C)cnc2OCC)CC1	ZINC000297314313	335152717	/nfs/dbraw/zinc/15/27/17/335152717.db2.gz	HIJLDZVRUZTDSF-UHFFFAOYSA-N	0	3	318.421	2.561	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CC1	ZINC000413248134	333840008	/nfs/dbraw/zinc/84/00/08/333840008.db2.gz	WMPSDORYGCXYGH-KSSFIOAISA-N	0	3	323.481	2.530	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn2ccccc12	ZINC000343438302	335164520	/nfs/dbraw/zinc/16/45/20/335164520.db2.gz	YTIUOXJEIDHQTP-LBPRGKRZSA-N	0	3	315.336	2.711	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CCCC1)C(C)C	ZINC000263672212	333947394	/nfs/dbraw/zinc/94/73/94/333947394.db2.gz	JCOGYSSBHGEYOV-INIZCTEOSA-N	0	3	303.450	2.885	20	30		DFEDHN
CCOC(=O)CC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000264527557	333957558	/nfs/dbraw/zinc/95/75/58/333957558.db2.gz	CKFPDPUZNGGYEG-UHFFFAOYSA-N	0	3	316.401	2.754	20	30		DFEDHN
C=CCCN(C)Cc1ccccc1OCC(=O)N1CCCC1	ZINC000343480770	335168555	/nfs/dbraw/zinc/16/85/55/335168555.db2.gz	ZPUHAFSBZSVMFC-UHFFFAOYSA-N	0	3	302.418	2.696	20	30		DFEDHN
C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(OCC#N)cc1	ZINC000270020202	334006344	/nfs/dbraw/zinc/00/63/44/334006344.db2.gz	ABCYOOATTPUUFK-AWEZNQCLSA-N	0	3	310.401	2.901	20	30		DFEDHN
C=CCOc1ccc(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1	ZINC000414563602	334020633	/nfs/dbraw/zinc/02/06/33/334020633.db2.gz	WJNBKZCTOOWZGV-INIZCTEOSA-N	0	3	302.418	2.740	20	30		DFEDHN
CC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000271263142	334020675	/nfs/dbraw/zinc/02/06/75/334020675.db2.gz	HTFJDGDPYIJJAR-QAPCUYQASA-N	0	3	324.428	2.666	20	30		DFEDHN
C=CCC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000271758994	334026510	/nfs/dbraw/zinc/02/65/10/334026510.db2.gz	VANYORSRHRLWQZ-SFHVURJKSA-N	0	3	324.428	2.939	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)N2CCc3sccc3C2)CC1	ZINC000272585723	334037909	/nfs/dbraw/zinc/03/79/09/334037909.db2.gz	OVJDGFZQKKNILZ-UHFFFAOYSA-N	0	3	317.458	2.649	20	30		DFEDHN
C/C=C/C[C@H](CO)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000274603398	334063965	/nfs/dbraw/zinc/06/39/65/334063965.db2.gz	QRPBCEHEDUERMV-QDLOVBKTSA-N	0	3	318.417	2.794	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275075629	334069458	/nfs/dbraw/zinc/06/94/58/334069458.db2.gz	ZDAOFYIGFOTBLE-UHFFFAOYSA-N	0	3	308.813	2.913	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2ncn(C)n2)c([O-])c1	ZINC000275469938	334071316	/nfs/dbraw/zinc/07/13/16/334071316.db2.gz	LLHMASZUJOWQKC-VAKHEIKFSA-N	0	3	301.394	2.547	20	30		DFEDHN
C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1	ZINC000414821060	334108510	/nfs/dbraw/zinc/10/85/10/334108510.db2.gz	DRTBNFIOBUGEOS-STQMWFEESA-N	0	3	300.406	2.702	20	30		DFEDHN
CC[C@@H](CSC)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280256970	334115763	/nfs/dbraw/zinc/11/57/63/334115763.db2.gz	XKOULEDDIVOXDA-CVEARBPZSA-N	0	3	315.442	2.841	20	30		DFEDHN
N#CCCCCN[C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000280635267	334118844	/nfs/dbraw/zinc/11/88/44/334118844.db2.gz	XTITZKVDCYSPKR-LBPRGKRZSA-N	0	3	302.296	2.902	20	30		DFEDHN
CSc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000280940761	334121559	/nfs/dbraw/zinc/12/15/59/334121559.db2.gz	FQQLMHITTFCJET-QWHCGFSZSA-N	0	3	305.447	2.820	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(CC#N)cc1	ZINC000343612324	335177388	/nfs/dbraw/zinc/17/73/88/335177388.db2.gz	OJAXTYAGTJWQRT-RTBURBONSA-N	0	3	313.445	2.974	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000340103784	334127330	/nfs/dbraw/zinc/12/73/30/334127330.db2.gz	PFNHOVOBNMHAOC-UTUOFQBUSA-N	0	3	319.371	2.560	20	30		DFEDHN
N#CC1(CCCN2CCc3ccccc3[C@H]2CO)CCOCC1	ZINC000282010029	334130296	/nfs/dbraw/zinc/13/02/96/334130296.db2.gz	OJMQBLCGWVWTSF-GOSISDBHSA-N	0	3	314.429	2.679	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)[C@@](C)(C#N)CC)N(C)C)cc1	ZINC000284923191	334144920	/nfs/dbraw/zinc/14/49/20/334144920.db2.gz	IONZAWPNEAEOHV-FUHWJXTLSA-N	0	3	301.434	2.908	20	30		DFEDHN
COc1ccc(CN[C@H](C)[C@H](C)OC)cc1OCCCC#N	ZINC000289971948	334169937	/nfs/dbraw/zinc/16/99/37/334169937.db2.gz	YXZKVAIXSVMYKL-KGLIPLIRSA-N	0	3	306.406	2.891	20	30		DFEDHN
CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCCC#N	ZINC000291917318	334182983	/nfs/dbraw/zinc/18/29/83/334182983.db2.gz	MXMKYXUCMMQIEQ-UHFFFAOYSA-N	0	3	314.433	2.840	20	30		DFEDHN
CO[C@H](CNCc1cn(CCC#N)nc1-c1ccccc1)C1CC1	ZINC000292861019	334193342	/nfs/dbraw/zinc/19/33/42/334193342.db2.gz	APQGJXATVPBNOO-GOSISDBHSA-N	0	3	324.428	2.978	20	30		DFEDHN
C[C@@H](NCCOCCC#N)c1ccc(NC(=O)C2CC2)cc1	ZINC000293873236	334202936	/nfs/dbraw/zinc/20/29/36/334202936.db2.gz	SUMSOOGMRDRIRL-CYBMUJFWSA-N	0	3	301.390	2.616	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)C2(C#N)CCC2)N(C)C)cc1	ZINC000294673590	334212223	/nfs/dbraw/zinc/21/22/23/334212223.db2.gz	FPFJZOCRZDNMLL-HNNXBMFYSA-N	0	3	317.458	2.821	20	30		DFEDHN
COc1ccc(CN(C)CC(C)(C)CO)cc1OCCCC#N	ZINC000294727365	334212822	/nfs/dbraw/zinc/21/28/22/334212822.db2.gz	FZVHQSIDVPWLHP-UHFFFAOYSA-N	0	3	320.433	2.828	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)[C@@H]1SC	ZINC000298231677	334247351	/nfs/dbraw/zinc/24/73/51/334247351.db2.gz	BHRLJYANKSKMRI-XHSDSOJGSA-N	0	3	306.431	2.588	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1cccnc1)N1[C@H](C)CC[C@@H]1C	ZINC000298831642	334251633	/nfs/dbraw/zinc/25/16/33/334251633.db2.gz	HSJCLJVVFCAKPQ-OWCLPIDISA-N	0	3	314.433	2.585	20	30		DFEDHN
C[C@H](CCC#N)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000299733653	334257763	/nfs/dbraw/zinc/25/77/63/334257763.db2.gz	YVXBMRSYJUVVIU-KGLIPLIRSA-N	0	3	315.417	2.687	20	30		DFEDHN
C=CCN(CCSC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000340825903	334388194	/nfs/dbraw/zinc/38/81/94/334388194.db2.gz	YFUOUGJRWNMVDC-CYBMUJFWSA-N	0	3	303.435	2.574	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cccc(OC)c1OC(F)F	ZINC000341325388	334430168	/nfs/dbraw/zinc/43/01/68/334430168.db2.gz	URHCBIOOGADBFV-LLVKDONJSA-N	0	3	301.333	2.571	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCc2c(Br)cccc21	ZINC000341504904	334449068	/nfs/dbraw/zinc/44/90/68/334449068.db2.gz	YMSPKJRMEGSNKL-CQSZACIVSA-N	0	3	323.234	2.718	20	30		DFEDHN
Cc1noc(C(C)C)c1C(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000330377530	334774176	/nfs/dbraw/zinc/77/41/76/334774176.db2.gz	QDDABTYBARIIJD-CQSZACIVSA-N	0	3	323.437	2.504	20	30		DFEDHN
CC1CCN([C@@H](CNC(=O)NCCC#N)c2cccs2)CC1	ZINC000331147871	334840016	/nfs/dbraw/zinc/84/00/16/334840016.db2.gz	MSDXOHLPRIJPTM-AWEZNQCLSA-N	0	3	320.462	2.938	20	30		DFEDHN
CN(C(=O)CN1CCC[C@H](C2CC2)C1)C1(C#N)CCCCC1	ZINC000344097539	335217765	/nfs/dbraw/zinc/21/77/65/335217765.db2.gz	MKFJOVAHWDJWRS-INIZCTEOSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(Cl)c(F)c2)CC1	ZINC000344416879	335247022	/nfs/dbraw/zinc/24/70/22/335247022.db2.gz	KMPRDLXWQNANED-UHFFFAOYSA-N	0	3	310.800	2.788	20	30		DFEDHN
CCN1CCO[C@H](CN[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccccc1	ZINC000344841174	335279197	/nfs/dbraw/zinc/27/91/97/335279197.db2.gz	DKLSOSBFNXLYPL-JCHJZTRSSA-N	0	3	313.445	2.730	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1	ZINC000345373056	335325669	/nfs/dbraw/zinc/32/56/69/335325669.db2.gz	BESVURQDSHFGMF-GDBMZVCRSA-N	0	3	317.433	2.533	20	30		DFEDHN
CC(C#N)C(=O)NCCc1c[nH]c2ccc(Br)cc12	ZINC000345483815	335328985	/nfs/dbraw/zinc/32/89/85/335328985.db2.gz	XHFIGJGBKCPLQY-SECBINFHSA-N	0	3	320.190	2.749	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000345756450	335348506	/nfs/dbraw/zinc/34/85/06/335348506.db2.gz	SMEHRKPTUNFINW-ZBFHGGJFSA-N	0	3	305.422	2.502	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000345798633	335351849	/nfs/dbraw/zinc/35/18/49/335351849.db2.gz	PTVBZQLFERMYMH-CVEARBPZSA-N	0	3	308.466	2.548	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000345847527	335355358	/nfs/dbraw/zinc/35/53/58/335355358.db2.gz	BICMUARTVOVOJO-OAHLLOKOSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)OCC	ZINC000346180592	335378478	/nfs/dbraw/zinc/37/84/78/335378478.db2.gz	HJHZONADTDNWQX-HZMVEIRTSA-N	0	3	308.466	2.546	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H](C)C1	ZINC000346283486	335392240	/nfs/dbraw/zinc/39/22/40/335392240.db2.gz	XEGSUMZHSREZTC-RLFYNMQTSA-N	0	3	311.429	2.555	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000346267700	335396264	/nfs/dbraw/zinc/39/62/64/335396264.db2.gz	OYWORZHMRHLOBS-FGTMMUONSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=CCN(CCn1ccnc1C)Cc1cccc([N+](=O)[O-])c1	ZINC000346312147	335398827	/nfs/dbraw/zinc/39/88/27/335398827.db2.gz	OMHNQZOOMKILSX-UHFFFAOYSA-N	0	3	300.362	2.788	20	30		DFEDHN
C=CCCC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000347935725	335540069	/nfs/dbraw/zinc/54/00/69/335540069.db2.gz	LQIQKEHQDAREMT-UHFFFAOYSA-N	0	3	302.418	2.744	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@@H](COC)c1cccc(Cl)c1F	ZINC000348387081	335587235	/nfs/dbraw/zinc/58/72/35/335587235.db2.gz	YJKVJBHCSSSMJG-RISCZKNCSA-N	0	3	301.789	2.941	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)CN([C@@H](C)CC)C1=O)C(C)C	ZINC000348479320	335589250	/nfs/dbraw/zinc/58/92/50/335589250.db2.gz	PLRBPXFVQLFGJJ-HOTGVXAUSA-N	0	3	321.465	2.748	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1	ZINC000349968068	335714776	/nfs/dbraw/zinc/71/47/76/335714776.db2.gz	CYATXYZRKBAOBX-UHFFFAOYSA-N	0	3	314.429	2.742	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCC(C)(C)C#N)C(C)C	ZINC000350750470	335779460	/nfs/dbraw/zinc/77/94/60/335779460.db2.gz	ZFYYIPOCRAFCHA-OAHLLOKOSA-N	0	3	306.454	2.534	20	30		DFEDHN
Cc1cnc(C2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)s1	ZINC000528476480	335798079	/nfs/dbraw/zinc/79/80/79/335798079.db2.gz	OBBIUHBCYJRUEZ-AWEZNQCLSA-N	0	3	305.447	2.686	20	30		DFEDHN
C=CCCCCCNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1	ZINC000519176683	335810757	/nfs/dbraw/zinc/81/07/57/335810757.db2.gz	GAGHCEANLOTATH-IRXDYDNUSA-N	0	3	323.481	2.628	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@]12CCCO2	ZINC000329448644	335977365	/nfs/dbraw/zinc/97/73/65/335977365.db2.gz	DDXCUXWVTSXNRI-LISAXSMJSA-N	0	3	324.465	2.934	20	30		DFEDHN
[O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000329636551	336020850	/nfs/dbraw/zinc/02/08/50/336020850.db2.gz	YEKIQVQRWMKVII-HKGGGCDWSA-N	0	3	314.433	2.692	20	30		DFEDHN
[O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000329636551	336020851	/nfs/dbraw/zinc/02/08/51/336020851.db2.gz	YEKIQVQRWMKVII-HKGGGCDWSA-N	0	3	314.433	2.692	20	30		DFEDHN
Cc1ccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)cc1F	ZINC000351488347	336037975	/nfs/dbraw/zinc/03/79/75/336037975.db2.gz	AEMHVWKYRIYRGW-VHSXEESVSA-N	0	3	302.309	2.521	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(Cc2ccccc2)C(C)(C)C1	ZINC000351549084	336042534	/nfs/dbraw/zinc/04/25/34/336042534.db2.gz	XUCSHWKYJKKTNN-SFHVURJKSA-N	0	3	302.462	2.910	20	30		DFEDHN
CCCOc1ccc(CNC(=O)C(C)C#N)c(OC(F)F)c1	ZINC000351548925	336042565	/nfs/dbraw/zinc/04/25/65/336042565.db2.gz	VWSLNCVBARGWCN-SNVBAGLBSA-N	0	3	312.316	2.853	20	30		DFEDHN
C=CCC[C@H](O)CN(CCC)C[C@@H]1COc2ccccc2O1	ZINC000351615617	336050587	/nfs/dbraw/zinc/05/05/87/336050587.db2.gz	NRYMAWYWHWBZFE-JKSUJKDBSA-N	0	3	305.418	2.866	20	30		DFEDHN
C[C@H](CCC#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000351617071	336051024	/nfs/dbraw/zinc/05/10/24/336051024.db2.gz	WNGJMZIDXQSDDP-HUUCEWRRSA-N	0	3	301.438	2.876	20	30		DFEDHN
O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329704273	336061025	/nfs/dbraw/zinc/06/10/25/336061025.db2.gz	ISKIQYNHKNUCCN-REWJHTLYSA-N	0	3	302.422	2.739	20	30		DFEDHN
O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329704273	336061027	/nfs/dbraw/zinc/06/10/27/336061027.db2.gz	ISKIQYNHKNUCCN-REWJHTLYSA-N	0	3	302.422	2.739	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)C#N)C1	ZINC000351856904	336073828	/nfs/dbraw/zinc/07/38/28/336073828.db2.gz	YNZZLDIJTZGZDG-GOEBONIOSA-N	0	3	314.433	2.671	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCCCS1	ZINC000329748731	336076834	/nfs/dbraw/zinc/07/68/34/336076834.db2.gz	GZXAVMGRUWNJPX-GJZGRUSLSA-N	0	3	322.478	2.856	20	30		DFEDHN
O=C(CC1(O)CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000329759057	336078453	/nfs/dbraw/zinc/07/84/53/336078453.db2.gz	OKDYYCDUZLTHDU-MRXNPFEDSA-N	0	3	302.418	2.913	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CCCCC1	ZINC000329846056	336088903	/nfs/dbraw/zinc/08/89/03/336088903.db2.gz	MBGDLURWKZNYSI-GOEBONIOSA-N	0	3	304.438	2.734	20	30		DFEDHN
Cn1ncc(C(=O)NC[C@H]2CCCCN2C2CC2)c1C1CC1	ZINC000329896052	336093402	/nfs/dbraw/zinc/09/34/02/336093402.db2.gz	KSXIEDAJLJGZEI-CQSZACIVSA-N	0	3	302.422	2.619	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CC12CCCCC2	ZINC000329948043	336098508	/nfs/dbraw/zinc/09/85/08/336098508.db2.gz	KIYRQXSKMGKUPZ-UONOGXRCSA-N	0	3	302.422	2.672	20	30		DFEDHN
CC(C)Cn1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cn1	ZINC000329962135	336100322	/nfs/dbraw/zinc/10/03/22/336100322.db2.gz	RZKVFPNIBQKHER-INIZCTEOSA-N	0	3	304.438	2.861	20	30		DFEDHN
Cc1nc(CC2CC2)oc1C(=O)NCCN1CCC[C@@H](C)C1	ZINC000330011276	336105779	/nfs/dbraw/zinc/10/57/79/336105779.db2.gz	ISLUERKEVKAEHQ-GFCCVEGCSA-N	0	3	305.422	2.972	20	30		DFEDHN
CCN1CCC(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1	ZINC000330107168	336114067	/nfs/dbraw/zinc/11/40/67/336114067.db2.gz	LVMGVENVPMXMPI-MRXNPFEDSA-N	0	3	323.481	2.856	20	30		DFEDHN
CC(C(=O)N[C@H]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330117589	336114943	/nfs/dbraw/zinc/11/49/43/336114943.db2.gz	XEXKJGWXOHIONX-AGIUHOORSA-N	0	3	317.451	2.504	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnn2C2CCCC2)nc(C)n1	ZINC000330142052	336117345	/nfs/dbraw/zinc/11/73/45/336117345.db2.gz	XZLRVSKYPWZPBQ-CQSZACIVSA-N	0	3	309.373	2.895	20	30		DFEDHN
CCc1nnc(C2CCN(CC(=O)NC3CCCCC3)CC2)[nH]1	ZINC000330141622	336117471	/nfs/dbraw/zinc/11/74/71/336117471.db2.gz	XUSUCNSSRXEWEP-UHFFFAOYSA-N	0	3	319.453	2.836	20	30		DFEDHN
Cc1nccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)n1	ZINC000330153878	336118638	/nfs/dbraw/zinc/11/86/38/336118638.db2.gz	NBDIDCUBDAUDLF-UHFFFAOYSA-N	0	3	317.437	2.527	20	30		DFEDHN
Cc1nccc(NC(=O)N2CCN(CC3CCCCC3)CC2)n1	ZINC000330159495	336119351	/nfs/dbraw/zinc/11/93/51/336119351.db2.gz	QYSKPVJJUZOJCS-UHFFFAOYSA-N	0	3	317.437	2.528	20	30		DFEDHN
Cc1nccn1CCNC([O-])=[NH+][C@@H]1CCOC2(CCCCC2)C1	ZINC000330243984	336129053	/nfs/dbraw/zinc/12/90/53/336129053.db2.gz	XAGGWPBCHSVTTP-OAHLLOKOSA-N	0	3	320.437	2.577	20	30		DFEDHN
Cc1nccn1CC[NH+]=C([O-])N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330243984	336129055	/nfs/dbraw/zinc/12/90/55/336129055.db2.gz	XAGGWPBCHSVTTP-OAHLLOKOSA-N	0	3	320.437	2.577	20	30		DFEDHN
O=C(CN[C@@H]1CCO[C@@H]1C1CC1)N[C@H]1CCOc2ccccc21	ZINC000330271437	336131890	/nfs/dbraw/zinc/13/18/90/336131890.db2.gz	VYBSJYKICMFLTD-HDMKZQKVSA-N	0	3	316.401	2.624	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000331643014	336143079	/nfs/dbraw/zinc/14/30/79/336143079.db2.gz	VETJYLZXPCCLQQ-NEPJUHHUSA-N	0	3	303.431	2.888	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)[C@H](C)NC[C@H]1CCO[C@@H]1C(C)C	ZINC000330314836	336152354	/nfs/dbraw/zinc/15/23/54/336152354.db2.gz	YFORLPLIPJHAAI-JGGQBBKZSA-N	0	3	322.453	2.664	20	30		DFEDHN
Cc1ncsc1CNC(=O)[C@H]1CCCN1C1CCOCC1	ZINC000330349984	336173675	/nfs/dbraw/zinc/17/36/75/336173675.db2.gz	KOBBAIVUCSCRQK-CYBMUJFWSA-N	0	3	309.435	2.551	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000352446499	336219463	/nfs/dbraw/zinc/21/94/63/336219463.db2.gz	FHUUUWTXHFRCRZ-NSHDSACASA-N	0	3	304.371	2.960	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[C@@H]1O	ZINC000352657679	336229164	/nfs/dbraw/zinc/22/91/64/336229164.db2.gz	BTAKKNCCBSYZRC-GJZGRUSLSA-N	0	3	313.319	2.782	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)COc1ccc(F)cc1	ZINC000352701837	336231154	/nfs/dbraw/zinc/23/11/54/336231154.db2.gz	OUCMUIANXZCLCF-MRXNPFEDSA-N	0	3	319.376	2.889	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SCCOC)cc1	ZINC000103500192	336242119	/nfs/dbraw/zinc/24/21/19/336242119.db2.gz	SJUZEDLFQKIXJW-KGLIPLIRSA-N	0	3	322.474	2.766	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NC[C@H]1NCCc2ccccc21	ZINC000417981363	336283757	/nfs/dbraw/zinc/28/37/57/336283757.db2.gz	LUJKNVBBIBFVAN-WMLDXEAASA-N	0	3	301.434	2.917	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCCC#N)N(C)C	ZINC000352901897	336375472	/nfs/dbraw/zinc/37/54/72/336375472.db2.gz	MKAXOFTUPZNGCJ-WBVHZDCISA-N	0	3	316.449	2.979	20	30		DFEDHN
C=C(C)CN(CCc1ccnn1C)Cc1cnn(C(C)C)c1	ZINC000352911794	336376665	/nfs/dbraw/zinc/37/66/65/336376665.db2.gz	BBSMEBCFXGXYJF-UHFFFAOYSA-N	0	3	301.438	2.818	20	30		DFEDHN
C=CCOc1ccc(CNCc2c[nH]c(C(=O)OC)c2)cc1	ZINC000352915917	336376882	/nfs/dbraw/zinc/37/68/82/336376882.db2.gz	QCCVYNWBJBHGOP-UHFFFAOYSA-N	0	3	300.358	2.656	20	30		DFEDHN
C=C[C@H](C)NC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000352954799	336379127	/nfs/dbraw/zinc/37/91/27/336379127.db2.gz	IEMBTOHOIIKJLI-AWEZNQCLSA-N	0	3	302.422	2.525	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)CCC#N	ZINC000352969665	336380128	/nfs/dbraw/zinc/38/01/28/336380128.db2.gz	SUMFLAQHYMKQGV-GASCZTMLSA-N	0	3	308.470	2.878	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000353054750	336391666	/nfs/dbraw/zinc/39/16/66/336391666.db2.gz	BLBDZOGTMWQKGA-KRWDZBQOSA-N	0	3	303.450	2.815	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[C@H]32)c(OC)c1	ZINC000353054140	336391758	/nfs/dbraw/zinc/39/17/58/336391758.db2.gz	WKDSTRXYLJNKMQ-GVDBMIGSSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=CCC[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccco1	ZINC000353621012	336429372	/nfs/dbraw/zinc/42/93/72/336429372.db2.gz	KYWQCKRSOBOSJI-YCPHGPKFSA-N	0	3	306.406	2.512	20	30		DFEDHN
C=CCOCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1	ZINC000354717208	336479782	/nfs/dbraw/zinc/47/97/82/336479782.db2.gz	AJSZUORMYIJKBE-SFHVURJKSA-N	0	3	316.445	2.778	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000355089591	336494302	/nfs/dbraw/zinc/49/43/02/336494302.db2.gz	JKQGZUXKEHSEAI-HZPDHXFCSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCC1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000356354989	336547255	/nfs/dbraw/zinc/54/72/55/336547255.db2.gz	BUWVIBHNAMKUCU-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2sc(CC)nc2C)CC1	ZINC000357585246	336591569	/nfs/dbraw/zinc/59/15/69/336591569.db2.gz	XEGRHDRZKSQMCV-UHFFFAOYSA-N	0	3	307.463	2.784	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-n3ccc(C)n3)cc2)CC1	ZINC000357816759	336600083	/nfs/dbraw/zinc/60/00/83/336600083.db2.gz	GUJSXJNXKRDINM-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)[C@@H]2CCOC(C)(C)C2)CC1	ZINC000358679165	336639088	/nfs/dbraw/zinc/63/90/88/336639088.db2.gz	HENWSCPNOWQAMC-MRXNPFEDSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2sccc2C)CC1	ZINC000358780167	336643080	/nfs/dbraw/zinc/64/30/80/336643080.db2.gz	PFQZNCKOEZMZDQ-UHFFFAOYSA-N	0	3	321.490	2.939	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCO[C@@H](CC)C2)CC1	ZINC000358997671	336652144	/nfs/dbraw/zinc/65/21/44/336652144.db2.gz	YFYICSGZPVTCLK-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCO[C@H](CC)C2)CC1	ZINC000358997667	336652214	/nfs/dbraw/zinc/65/22/14/336652214.db2.gz	YFYICSGZPVTCLK-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
CN(C)CCOc1ccccc1C(=O)NCC(C)(C)CCC#N	ZINC000360411262	336710905	/nfs/dbraw/zinc/71/09/05/336710905.db2.gz	NZPIONDIJQRKKK-UHFFFAOYSA-N	0	3	317.433	2.687	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OCC)C1(CC)CC	ZINC000360947533	336728987	/nfs/dbraw/zinc/72/89/87/336728987.db2.gz	NUZSEUQUJGBIEV-HZPDHXFCSA-N	0	3	310.482	2.984	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C(=O)NC)C(C)C)cc1Cl	ZINC000362956915	336816217	/nfs/dbraw/zinc/81/62/17/336816217.db2.gz	FPIGAMDDGZRDPD-OAHLLOKOSA-N	0	3	310.825	2.765	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1	ZINC000369325854	336862542	/nfs/dbraw/zinc/86/25/42/336862542.db2.gz	AQPFAGWDDGRJED-RSRPTUBKSA-N	0	3	323.440	2.815	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)C1(O)CCOCC1	ZINC000418122425	336876304	/nfs/dbraw/zinc/87/63/04/336876304.db2.gz	FMKABCUUSUGNFP-UHFFFAOYSA-N	0	3	319.445	2.909	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2-c2nc(C)c[nH]2)CC1	ZINC000371253454	336898569	/nfs/dbraw/zinc/89/85/69/336898569.db2.gz	KLCRPGCENLSCNR-UHFFFAOYSA-N	0	3	322.412	2.669	20	30		DFEDHN
Cn1cc([C@H](NCCCSCC#N)c2ccccc2)cn1	ZINC000371752094	336911993	/nfs/dbraw/zinc/91/19/93/336911993.db2.gz	DYSDJNDZZBCCTD-MRXNPFEDSA-N	0	3	300.431	2.746	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1C(=N)NO	ZINC000372308773	336927468	/nfs/dbraw/zinc/92/74/68/336927468.db2.gz	KNSDZZJRXNVMEO-HNNXBMFYSA-N	0	3	300.406	2.798	20	30		DFEDHN
C#CCCN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000375000988	337001307	/nfs/dbraw/zinc/00/13/07/337001307.db2.gz	ZLIAMZLEZRSLSE-OAHLLOKOSA-N	0	3	324.346	2.982	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(C(=O)OC)(c2ccccc2)CC1	ZINC000305075164	337012255	/nfs/dbraw/zinc/01/22/55/337012255.db2.gz	KUFDEZSYEJZMJT-KRWDZBQOSA-N	0	3	317.429	2.520	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@@H](Cc3ccc(F)c(F)c3)C2)C1=O	ZINC000375612070	337014525	/nfs/dbraw/zinc/01/45/25/337014525.db2.gz	IORGPWNLAZSRGM-YOEHRIQHSA-N	0	3	320.383	2.616	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN(CCCCC#N)CC1	ZINC000375814815	337020268	/nfs/dbraw/zinc/02/02/68/337020268.db2.gz	MGGXREBMHBSROQ-UHFFFAOYSA-N	0	3	303.454	2.666	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@@H]1CCCN1CCc1ccccc1	ZINC000376110260	337027256	/nfs/dbraw/zinc/02/72/56/337027256.db2.gz	FJJXIQAQRJDXBX-KRWDZBQOSA-N	0	3	313.445	2.750	20	30		DFEDHN
C=CCN(C(=O)N(C)CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000376268522	337030168	/nfs/dbraw/zinc/03/01/68/337030168.db2.gz	ZUAPMOQLXUCFTL-QGZVFWFLSA-N	0	3	301.434	2.821	20	30		DFEDHN
CN1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000377058555	337046160	/nfs/dbraw/zinc/04/61/60/337046160.db2.gz	XDCYHZPSOUYNDD-UHFFFAOYSA-N	0	3	324.428	2.723	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000377693377	337058777	/nfs/dbraw/zinc/05/87/77/337058777.db2.gz	OGPBUOHPTQIVSY-OLMNPRSZSA-N	0	3	316.445	2.702	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000377884658	337063320	/nfs/dbraw/zinc/06/33/20/337063320.db2.gz	RFIFHRBBOIOZQX-IRXDYDNUSA-N	0	3	313.445	2.704	20	30		DFEDHN
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCCC2)C1	ZINC000378575773	337075825	/nfs/dbraw/zinc/07/58/25/337075825.db2.gz	XLIKIFFVWMFRIE-JKSUJKDBSA-N	0	3	309.454	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)CC1	ZINC000170946166	337085663	/nfs/dbraw/zinc/08/56/63/337085663.db2.gz	VJAMVNLLVVBRNS-ZWKOTPCHSA-N	0	3	314.429	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2ccc(Cl)cc2)CC1	ZINC000171695837	337088338	/nfs/dbraw/zinc/08/83/38/337088338.db2.gz	FAFDHQVJENZBIE-UHFFFAOYSA-N	0	3	321.852	2.832	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2nccc3ccccc32)CC1	ZINC000171716611	337088851	/nfs/dbraw/zinc/08/88/51/337088851.db2.gz	UTDYLFNXSZQHAD-UHFFFAOYSA-N	0	3	324.428	2.684	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC)c2nccs2)CC1	ZINC000172384172	337128628	/nfs/dbraw/zinc/12/86/28/337128628.db2.gz	ZJMHCUKIHIMSLN-ZDUSSCGKSA-N	0	3	308.451	2.544	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1	ZINC000172712175	337130502	/nfs/dbraw/zinc/13/05/02/337130502.db2.gz	JJEAKCHGRLOURC-UHFFFAOYSA-N	0	3	322.412	2.699	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CCCC2)C1	ZINC000174271131	337140137	/nfs/dbraw/zinc/14/01/37/337140137.db2.gz	HGIGXLOWOTTYFX-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=C(Cl)CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000175797491	337149219	/nfs/dbraw/zinc/14/92/19/337149219.db2.gz	RVAIPUJPGKYABC-HUUCEWRRSA-N	0	3	300.874	2.950	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(CCOC)CCCC2)CC1	ZINC000177994728	337159643	/nfs/dbraw/zinc/15/96/43/337159643.db2.gz	SWSQFJAXLNINIE-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2CCc3nc(CC)nn3C2)cc1	ZINC000180629709	337176826	/nfs/dbraw/zinc/17/68/26/337176826.db2.gz	XCOYNXNGWNZWCL-HOCLYGCPSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1	ZINC000183677521	337192973	/nfs/dbraw/zinc/19/29/73/337192973.db2.gz	QVKCADCVRNWYGM-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000184173591	337196698	/nfs/dbraw/zinc/19/66/98/337196698.db2.gz	RLRPXWALDQULSF-ZOBUZTSGSA-N	0	3	301.434	2.771	20	30		DFEDHN
C[C@H](NCC(=O)NCC#N)c1ccc(Cl)c2ccccc21	ZINC000185384819	337204651	/nfs/dbraw/zinc/20/46/51/337204651.db2.gz	DSPWFERTJGQIRB-NSHDSACASA-N	0	3	301.777	2.784	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)OCO2)c1cnc2ccccc2n1	ZINC000190926291	337291507	/nfs/dbraw/zinc/29/15/07/337291507.db2.gz	LNJFSBLFICTKBN-LBPRGKRZSA-N	0	3	317.304	2.849	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)COc1cccc2ccccc21	ZINC000191084366	337293625	/nfs/dbraw/zinc/29/36/25/337293625.db2.gz	VXMSTHFZJJVHBZ-QGZVFWFLSA-N	0	3	315.413	2.714	20	30		DFEDHN
C=CCCC[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000398182034	337309177	/nfs/dbraw/zinc/30/91/77/337309177.db2.gz	SWSDROAFLTXHTA-AWEZNQCLSA-N	0	3	306.431	2.666	20	30		DFEDHN
Cc1cc(NC[C@H](c2ccccc2)N2CCCC2)c(C#N)cn1	ZINC000584586869	337369612	/nfs/dbraw/zinc/36/96/12/337369612.db2.gz	JRNSFXGWWYXOSI-LJQANCHMSA-N	0	3	306.413	2.933	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1	ZINC000113320240	337391016	/nfs/dbraw/zinc/39/10/16/337391016.db2.gz	VFYCWMGDLDXVEV-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=CCOCCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000129962247	337431425	/nfs/dbraw/zinc/43/14/25/337431425.db2.gz	YBVMSLXPVZMQHQ-GOSISDBHSA-N	0	3	316.445	2.750	20	30		DFEDHN
C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(OCC#N)cc1	ZINC000245849625	337495361	/nfs/dbraw/zinc/49/53/61/337495361.db2.gz	GEFCPUZADPOCOO-MJXNMMHHSA-N	0	3	308.381	2.898	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(CC#N)c2)C1	ZINC000067209096	337543523	/nfs/dbraw/zinc/54/35/23/337543523.db2.gz	VYHKKLFZOBFURN-SFHVURJKSA-N	0	3	319.408	2.886	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1	ZINC000248884311	337568147	/nfs/dbraw/zinc/56/81/47/337568147.db2.gz	LPEYOKIQMRWYKH-HYVNUMGLSA-N	0	3	315.392	2.599	20	30		DFEDHN
COc1c(Cl)cc(NC(=O)[C@H](N)CCCC#N)cc1Cl	ZINC000424113906	337741203	/nfs/dbraw/zinc/74/12/03/337741203.db2.gz	OYABFFFQEKKDGQ-LLVKDONJSA-N	0	3	316.188	2.962	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424125266	337749635	/nfs/dbraw/zinc/74/96/35/337749635.db2.gz	QKIQCYCROWHOBX-HOTGVXAUSA-N	0	3	305.397	2.530	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(-c2ccncc2)cc1	ZINC000424143485	337768599	/nfs/dbraw/zinc/76/85/99/337768599.db2.gz	JWSGOPDQNNDQAL-KDOFPFPSSA-N	0	3	322.412	2.947	20	30		DFEDHN
Cc1coc(-c2cc(NC(=O)[C@H](N)CCCC#N)ccc2C)n1	ZINC000424148382	337774578	/nfs/dbraw/zinc/77/45/78/337774578.db2.gz	FHPLGHHOTRCUCP-OAHLLOKOSA-N	0	3	312.373	2.918	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C(C)(C)C)cs1	ZINC000424161788	337787265	/nfs/dbraw/zinc/78/72/65/337787265.db2.gz	WCSGPUNDKQKGRZ-QWRGUYRKSA-N	0	3	308.451	2.639	20	30		DFEDHN
CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424165860	337789598	/nfs/dbraw/zinc/78/95/98/337789598.db2.gz	FMWWRVKJVINNBK-PBHICJAKSA-N	0	3	301.434	2.878	20	30		DFEDHN
C=CCn1cc(CNC2CCC(OC3CCCC3)CC2)nn1	ZINC000424292373	337816381	/nfs/dbraw/zinc/81/63/81/337816381.db2.gz	GSDSFFFWVLKVGA-UHFFFAOYSA-N	0	3	304.438	2.824	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000424503003	337843804	/nfs/dbraw/zinc/84/38/04/337843804.db2.gz	AXCFUINVVAMOOM-BGTYHANMSA-N	0	3	316.445	2.775	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@]1(C#N)CC12CCCC2	ZINC000515386624	337987687	/nfs/dbraw/zinc/98/76/87/337987687.db2.gz	QVCWMOYTGJBKBF-RDTXWAMCSA-N	0	3	303.450	2.649	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C(=C)C)C(C)C	ZINC000426422157	338031864	/nfs/dbraw/zinc/03/18/64/338031864.db2.gz	UVUPRHVMKHDVLB-KZNAEPCWSA-N	0	3	320.477	2.782	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000428533480	338055588	/nfs/dbraw/zinc/05/55/88/338055588.db2.gz	DPEUVMJEMMOHFA-FUHWJXTLSA-N	0	3	302.418	2.794	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F	ZINC000448459624	338077930	/nfs/dbraw/zinc/07/79/30/338077930.db2.gz	POQHYDGYORMEED-SECBINFHSA-N	0	3	315.295	2.534	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@@H](OCC)C12CCCCC2	ZINC000429762926	338089293	/nfs/dbraw/zinc/08/92/93/338089293.db2.gz	RBSDMUDFOKBZFO-IAGOWNOFSA-N	0	3	320.477	2.905	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000430701574	338111771	/nfs/dbraw/zinc/11/17/71/338111771.db2.gz	DWOIVFJNUVHVPQ-JSGCOSHPSA-N	0	3	303.431	2.515	20	30		DFEDHN
Cc1ccccc1[C@@H](CN1CCOCC1)NCC1(CC#N)CC1	ZINC000430743081	338113012	/nfs/dbraw/zinc/11/30/12/338113012.db2.gz	NSZTYQYUWFJMMI-GOSISDBHSA-N	0	3	313.445	2.652	20	30		DFEDHN
CCS(=O)(=O)Nc1ccc([C@H](C)NCC2(CC#N)CC2)cc1	ZINC000430748341	338113358	/nfs/dbraw/zinc/11/33/58/338113358.db2.gz	CTXROLCCLLKMAR-ZDUSSCGKSA-N	0	3	321.446	2.793	20	30		DFEDHN
C=C(C)CN(CC)C(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000431159467	338124446	/nfs/dbraw/zinc/12/44/46/338124446.db2.gz	OUIQCLNDVXKLCY-UHFFFAOYSA-N	0	3	319.453	2.888	20	30		DFEDHN
CC(C)C1CCC(N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000433133079	338182639	/nfs/dbraw/zinc/18/26/39/338182639.db2.gz	HMIWXBDYFRQMLE-JFUPDXTOSA-N	0	3	305.466	2.941	20	30		DFEDHN
CC(C)COCCCNC(=O)C(C#N)CCc1ccccc1	ZINC000433171979	338183966	/nfs/dbraw/zinc/18/39/66/338183966.db2.gz	CRBKSUKHOGINDZ-QGZVFWFLSA-N	0	3	302.418	2.938	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1COc2ccccc2C1	ZINC000433225667	338186576	/nfs/dbraw/zinc/18/65/76/338186576.db2.gz	JCHAMSJUJFPXMA-QZTJIDSGSA-N	0	3	320.392	2.879	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(CCO)Cc1ccccc1	ZINC000433234830	338187166	/nfs/dbraw/zinc/18/71/66/338187166.db2.gz	TVFQZFSHRAZYQA-LJQANCHMSA-N	0	3	322.408	2.780	20	30		DFEDHN
CN(CCCN1CCN(c2ccccc2)CC1)CC(C)(C)C#N	ZINC000433303557	338190624	/nfs/dbraw/zinc/19/06/24/338190624.db2.gz	IJQMOVCWWDJFEP-UHFFFAOYSA-N	0	3	314.477	2.680	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CCCCO1	ZINC000433374729	338194239	/nfs/dbraw/zinc/19/42/39/338194239.db2.gz	VVIZIOISSOVKCO-SJORKVTESA-N	0	3	300.402	2.834	20	30		DFEDHN
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(C)C#N)n1	ZINC000434369321	338215376	/nfs/dbraw/zinc/21/53/76/338215376.db2.gz	JZYIQMHCPRLEQC-ZDUSSCGKSA-N	0	3	308.385	2.782	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1	ZINC000434425043	338215864	/nfs/dbraw/zinc/21/58/64/338215864.db2.gz	MNTCSYVYKLUMSE-QGZVFWFLSA-N	0	3	314.429	2.998	20	30		DFEDHN
N#CCC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1	ZINC000438833831	338353087	/nfs/dbraw/zinc/35/30/87/338353087.db2.gz	HBIZPRATBRGQCV-WBVHZDCISA-N	0	3	312.417	2.567	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCCO[C@H](CC)C1	ZINC000439474067	338370746	/nfs/dbraw/zinc/37/07/46/338370746.db2.gz	MVRYSEWSWIKCEG-ZWKOTPCHSA-N	0	3	319.445	2.656	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1	ZINC000442785937	338431265	/nfs/dbraw/zinc/43/12/65/338431265.db2.gz	APWOIVHMBZDCCB-UNEWFSDZSA-N	0	3	313.401	2.586	20	30		DFEDHN
CS(=O)(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl	ZINC000442868521	338436424	/nfs/dbraw/zinc/43/64/24/338436424.db2.gz	CLRNCYNVVAAGOR-CMPLNLGQSA-N	0	3	312.822	2.525	20	30		DFEDHN
CS(=O)(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1Cl	ZINC000442868526	338436430	/nfs/dbraw/zinc/43/64/30/338436430.db2.gz	CLRNCYNVVAAGOR-PWSUYJOCSA-N	0	3	312.822	2.525	20	30		DFEDHN
C[C@@H](C#N)CN(C(=O)Nc1ccccc1CCN(C)C)C1CC1	ZINC000446577256	338530677	/nfs/dbraw/zinc/53/06/77/338530677.db2.gz	KVDGULZNJJSENZ-AWEZNQCLSA-N	0	3	314.433	2.947	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H](CC(C)C)CN(C)C)cc1	ZINC000448802301	338575449	/nfs/dbraw/zinc/57/54/49/338575449.db2.gz	UXJDRLCBQNMDNC-QGZVFWFLSA-N	0	3	318.461	2.886	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cccc(F)c1Br	ZINC000449203005	338602166	/nfs/dbraw/zinc/60/21/66/338602166.db2.gz	JTFYBFVHTCAFNA-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(F)cc(Br)c1	ZINC000449205014	338602281	/nfs/dbraw/zinc/60/22/81/338602281.db2.gz	NLUGIKVEPKJHOE-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cccc(Br)c1F	ZINC000449205642	338602366	/nfs/dbraw/zinc/60/23/66/338602366.db2.gz	OGVJWEVXNZXZFG-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
C=C(CC)CNCc1ccccc1OCC(=O)N1CCCC1	ZINC000449735717	338648944	/nfs/dbraw/zinc/64/89/44/338648944.db2.gz	UPDXLMZILQWNMY-UHFFFAOYSA-N	0	3	302.418	2.744	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000451607341	338740271	/nfs/dbraw/zinc/74/02/71/338740271.db2.gz	PQLXHXVPQMMMIY-KBXIAJHMSA-N	0	3	320.458	2.733	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1	ZINC000454542960	338866238	/nfs/dbraw/zinc/86/62/38/338866238.db2.gz	LOAWEJCTMUWFLB-LORHWOILSA-N	0	3	317.477	2.714	20	30		DFEDHN
C=CC(C)(C)CNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000456118320	338919779	/nfs/dbraw/zinc/91/97/79/338919779.db2.gz	QDKSGMAUAOXKDG-UHFFFAOYSA-N	0	3	315.461	2.527	20	30		DFEDHN
C[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1	ZINC000456790316	338940821	/nfs/dbraw/zinc/94/08/21/338940821.db2.gz	KWXLZYQPMSTBFV-NSHDSACASA-N	0	3	321.808	2.911	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000457472410	338965196	/nfs/dbraw/zinc/96/51/96/338965196.db2.gz	HQRZNFWCIBQASH-QGZVFWFLSA-N	0	3	301.434	2.516	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cncc(Cl)c2C)CC1	ZINC000457541157	338968587	/nfs/dbraw/zinc/96/85/87/338968587.db2.gz	JRJKGXCHBYAEIW-UHFFFAOYSA-N	0	3	307.825	2.814	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C	ZINC000457550178	338968986	/nfs/dbraw/zinc/96/89/86/338968986.db2.gz	MLSLYKDNNZZGND-MWDXBVQZSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(C)c(C)n2)CC1	ZINC000458324492	338996160	/nfs/dbraw/zinc/99/61/60/338996160.db2.gz	RFRXPZHYLJCUEN-UHFFFAOYSA-N	0	3	316.449	2.538	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000458781796	339005229	/nfs/dbraw/zinc/00/52/29/339005229.db2.gz	TYYCCEBPICYLFZ-WBVHZDCISA-N	0	3	301.434	2.651	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000458806192	339005908	/nfs/dbraw/zinc/00/59/08/339005908.db2.gz	VTFWLFAJISJLCO-SJORKVTESA-N	0	3	314.433	2.767	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000458995544	339010589	/nfs/dbraw/zinc/01/05/89/339010589.db2.gz	HGWLWZYHMJHGDZ-MRXNPFEDSA-N	0	3	305.422	2.563	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(C)nc2scc(C3CC3)n12	ZINC000459466216	339030674	/nfs/dbraw/zinc/03/06/74/339030674.db2.gz	PDFBFHNPHZBPFU-GFCCVEGCSA-N	0	3	305.447	2.856	20	30		DFEDHN
C=CCC[C@@H](NC1CCN(c2ccncc2)CC1)C(=O)OCC	ZINC000459574216	339036859	/nfs/dbraw/zinc/03/68/59/339036859.db2.gz	RXUNADSMQLKKPS-QGZVFWFLSA-N	0	3	317.433	2.538	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C(F)(F)F)C(C)C	ZINC000463821263	339126551	/nfs/dbraw/zinc/12/65/51/339126551.db2.gz	XSKTZHHVUCDOQZ-OLZOCXBDSA-N	0	3	306.372	3.000	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)[C@@H](C)C1)C(C)C	ZINC000465546163	339179308	/nfs/dbraw/zinc/17/93/08/339179308.db2.gz	QRMHSISKHBQRGJ-YESZJQIVSA-N	0	3	307.482	2.982	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)cc2C)CC1	ZINC000486487773	339728355	/nfs/dbraw/zinc/72/83/55/339728355.db2.gz	BWZSZZVRRLQMOB-UHFFFAOYSA-N	0	3	319.424	2.926	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(-c3ccccc3)o2)CC1	ZINC000491202983	339853201	/nfs/dbraw/zinc/85/32/01/339853201.db2.gz	ROSJVLJXWQSOAC-UHFFFAOYSA-N	0	3	322.408	2.908	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccccc2OCC)CC1	ZINC000491544245	339866391	/nfs/dbraw/zinc/86/63/91/339866391.db2.gz	FBMXBGMONGFQPC-MDZDMXLPSA-N	0	3	314.429	2.865	20	30		DFEDHN
C#C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)(C)C	ZINC000491650621	339871123	/nfs/dbraw/zinc/87/11/23/339871123.db2.gz	ARNHCKNFMVQWJO-INIZCTEOSA-N	0	3	301.434	2.595	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1	ZINC000491891577	339886173	/nfs/dbraw/zinc/88/61/73/339886173.db2.gz	ZXLZETGQVGSBQA-DHCBQETCSA-N	0	3	312.200	2.792	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21)C(C)C	ZINC000494672236	339957354	/nfs/dbraw/zinc/95/73/54/339957354.db2.gz	LIFOYVUPKIYQKB-TWMKSMIVSA-N	0	3	305.466	2.783	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](CCNC[C@H](C#N)CCC#N)C1	ZINC000496290219	340002294	/nfs/dbraw/zinc/00/22/94/340002294.db2.gz	GGCULGPNFOUHHB-CABCVRRESA-N	0	3	320.437	2.667	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000496300032	340002474	/nfs/dbraw/zinc/00/24/74/340002474.db2.gz	DKLSOSBFNXLYPL-NQYYFHDYSA-N	0	3	313.445	2.730	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000497112050	340020583	/nfs/dbraw/zinc/02/05/83/340020583.db2.gz	YNHWXVHNJGFSSQ-ILXRZTDVSA-N	0	3	307.438	2.867	20	30		DFEDHN
COc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cn1	ZINC000505731879	340175943	/nfs/dbraw/zinc/17/59/43/340175943.db2.gz	AZNLXCLTJUWPOU-LLVKDONJSA-N	0	3	324.365	2.946	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CSC[C@H]1C	ZINC000507267265	340216234	/nfs/dbraw/zinc/21/62/34/340216234.db2.gz	WXVLQKOGFVFWPG-IPYPFGDCSA-N	0	3	324.515	2.992	20	30		DFEDHN
C=C(C)CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000509310844	340265895	/nfs/dbraw/zinc/26/58/95/340265895.db2.gz	OGXNAKOKTOWRHP-HNNXBMFYSA-N	0	3	302.418	2.950	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000192599976	340567987	/nfs/dbraw/zinc/56/79/87/340567987.db2.gz	GSDDVPOTYGQWDG-VQIMIIECSA-N	0	3	306.409	2.698	20	30		DFEDHN
COC[C@H](N[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(C)C	ZINC000541596151	340976803	/nfs/dbraw/zinc/97/68/03/340976803.db2.gz	IZWAFSZFERQKCJ-NDUQDZPOSA-N	0	3	323.481	2.566	20	30		DFEDHN
N#CC(=C([O-])c1ccc([C@@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446839	341125197	/nfs/dbraw/zinc/12/51/97/341125197.db2.gz	VXJVASHEKBABOO-HZPDHXFCSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446839	341125198	/nfs/dbraw/zinc/12/51/98/341125198.db2.gz	VXJVASHEKBABOO-HZPDHXFCSA-N	0	3	307.353	2.861	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H](CCC(N)=O)C1	ZINC000135179396	341232907	/nfs/dbraw/zinc/23/29/07/341232907.db2.gz	KAGOSTAARCOITE-OAHLLOKOSA-N	0	3	313.445	2.965	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@@H](O)COC[C@H]1CCCO1	ZINC000548096843	341246921	/nfs/dbraw/zinc/24/69/21/341246921.db2.gz	NEMGJUXYGQBTGZ-RTBURBONSA-N	0	3	319.445	2.621	20	30		DFEDHN
C=C(C)CN(CC)C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000079735082	341264880	/nfs/dbraw/zinc/26/48/80/341264880.db2.gz	ILTNWANACUXWMM-KRWDZBQOSA-N	0	3	303.450	2.767	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000549195993	341288538	/nfs/dbraw/zinc/28/85/38/341288538.db2.gz	IIBWCEHYCITIQL-AWEZNQCLSA-N	0	3	320.824	2.546	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000552006555	341359574	/nfs/dbraw/zinc/35/95/74/341359574.db2.gz	SWNAINOXNBKOKW-WHJSIAKGSA-N	0	3	323.506	2.647	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000552006553	341359576	/nfs/dbraw/zinc/35/95/76/341359576.db2.gz	SWNAINOXNBKOKW-CLPSQLOGSA-N	0	3	323.506	2.647	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(NC[C@H](C#N)CCC#N)CC1	ZINC000552116461	341370729	/nfs/dbraw/zinc/37/07/29/341370729.db2.gz	YFJIVXSVKYLJRM-NFOMZHRRSA-N	0	3	305.422	2.920	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc1OC)C[C@H](C)O2	ZINC000556161724	341495969	/nfs/dbraw/zinc/49/59/69/341495969.db2.gz	DEXJLLCCOGQLRM-MAZHCROVSA-N	0	3	303.402	2.842	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CNC(C)(C)COC	ZINC000154891259	341597734	/nfs/dbraw/zinc/59/77/34/341597734.db2.gz	LIPHFUQASCQXRN-UHFFFAOYSA-N	0	3	308.447	2.918	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000577976728	341962514	/nfs/dbraw/zinc/96/25/14/341962514.db2.gz	MMWUNQJLYGYQMF-LYRGGWFBSA-N	0	3	300.402	2.910	20	30		DFEDHN
N#CCCCN1CCCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000050275498	501029637	/nfs/dbraw/zinc/02/96/37/501029637.db2.gz	YNFNWDAPXOGEBM-UHFFFAOYSA-N	0	3	312.339	2.916	20	30		DFEDHN
COc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1C#N	ZINC000292694257	533812314	/nfs/dbraw/zinc/81/23/14/533812314.db2.gz	BREUXKLOTCOCPP-QGZVFWFLSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000302007641	533898796	/nfs/dbraw/zinc/89/87/96/533898796.db2.gz	UVWYASHJCLAWFW-CRAIPNDOSA-N	0	3	321.428	2.838	20	30		DFEDHN
Cc1nc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000309901544	534438969	/nfs/dbraw/zinc/43/89/69/534438969.db2.gz	INOWHECMKRCSAJ-GOSISDBHSA-N	0	3	306.413	2.972	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)ccc1Cl	ZINC000367597699	521722423	/nfs/dbraw/zinc/72/24/23/521722423.db2.gz	OEDIQFWLQJLNBR-KGLIPLIRSA-N	0	3	317.820	2.910	20	30		DFEDHN
CCN1CCc2c(cccc2NC(=O)c2ccc(C#N)c(C)n2)C1	ZINC000366369896	521723971	/nfs/dbraw/zinc/72/39/71/521723971.db2.gz	ABDVEJWZGWKMOU-UHFFFAOYSA-N	0	3	320.396	2.892	20	30		DFEDHN
Cn1cc(CNCCc2cccc(C(F)(F)F)n2)cc1C#N	ZINC000293074203	534734316	/nfs/dbraw/zinc/73/43/16/534734316.db2.gz	VSNIEQCMVBITOU-UHFFFAOYSA-N	0	3	308.307	2.643	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@@H](Oc3ccccc3)C2)cc1	ZINC000363840666	526688753	/nfs/dbraw/zinc/68/87/53/526688753.db2.gz	FUCFJZNJIVHQLB-MOPGFXCFSA-N	0	3	308.381	2.745	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@@H](C)c1cncc(F)c1	ZINC000361129765	536884243	/nfs/dbraw/zinc/88/42/43/536884243.db2.gz	FCNYPFIFRIVXPA-LBPRGKRZSA-N	0	3	315.348	2.831	20	30		DFEDHN
C=CC[C@H](CO)NCc1cn(C)nc1-c1cc2ccccc2o1	ZINC000680483816	545501294	/nfs/dbraw/zinc/50/12/94/545501294.db2.gz	BJJVSILLDMLYGA-OAHLLOKOSA-N	0	3	311.385	2.860	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000681515850	545659689	/nfs/dbraw/zinc/65/96/89/545659689.db2.gz	VLBDKLCUUAVEGS-GOSISDBHSA-N	0	3	313.445	2.611	20	30		DFEDHN
C=CCOCCN[C@H](CCn1cncn1)c1ccc(C)cc1	ZINC000682140612	545804393	/nfs/dbraw/zinc/80/43/93/545804393.db2.gz	JRNLSFWFPUSNND-QGZVFWFLSA-N	0	3	300.406	2.510	20	30		DFEDHN
C=CCN1CC[C@H](N(Cc2cccc(OC)c2)CC(C)C)C1=O	ZINC000685000670	546317482	/nfs/dbraw/zinc/31/74/82/546317482.db2.gz	YACYDTZTJSBCKR-SFHVURJKSA-N	0	3	316.445	2.940	20	30		DFEDHN
C=C(C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000819722960	599416940	/nfs/dbraw/zinc/41/69/40/599416940.db2.gz	SMWXRMYFDUWKQO-UHFFFAOYSA-N	0	3	321.384	2.678	20	30		DFEDHN
C=C(C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1	ZINC000819722960	599416942	/nfs/dbraw/zinc/41/69/42/599416942.db2.gz	SMWXRMYFDUWKQO-UHFFFAOYSA-N	0	3	321.384	2.678	20	30		DFEDHN
C=CCC[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734299	606746507	/nfs/dbraw/zinc/74/65/07/606746507.db2.gz	LEUPZEKNQAHAQG-CZUORRHYSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000819734299	606746509	/nfs/dbraw/zinc/74/65/09/606746509.db2.gz	LEUPZEKNQAHAQG-CZUORRHYSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734299	606746510	/nfs/dbraw/zinc/74/65/10/606746510.db2.gz	LEUPZEKNQAHAQG-CZUORRHYSA-N	0	3	315.421	2.577	20	30		DFEDHN
C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000819734299	606746512	/nfs/dbraw/zinc/74/65/12/606746512.db2.gz	LEUPZEKNQAHAQG-CZUORRHYSA-N	0	3	315.421	2.577	20	30		DFEDHN
C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000821613437	606962358	/nfs/dbraw/zinc/96/23/58/606962358.db2.gz	NLMWSOSGIRDFDR-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000821613437	606962360	/nfs/dbraw/zinc/96/23/60/606962360.db2.gz	NLMWSOSGIRDFDR-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1	ZINC000824612180	608460918	/nfs/dbraw/zinc/46/09/18/608460918.db2.gz	KLGFBIUWCWVUKP-LLVKDONJSA-N	0	3	322.347	2.728	20	30		DFEDHN
C=CCS(=O)(=O)CCNCCCc1c(F)cccc1Cl	ZINC000278538347	214222490	/nfs/dbraw/zinc/22/24/90/214222490.db2.gz	WVFWSKQXJXNPMH-UHFFFAOYSA-N	0	3	319.829	2.602	20	30		DFEDHN
Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc(C#N)n1	ZINC000308280577	231095918	/nfs/dbraw/zinc/09/59/18/231095918.db2.gz	SSJMWIZQJFWDKX-INIZCTEOSA-N	0	3	306.413	2.972	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000272850203	210245703	/nfs/dbraw/zinc/24/57/03/210245703.db2.gz	KWEXCZPSQSECBW-OAHLLOKOSA-N	0	3	313.850	2.982	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](C)c2cc(C(=O)OC)co2)CC1	ZINC000278768350	214386891	/nfs/dbraw/zinc/38/68/91/214386891.db2.gz	PANYDWONSKSYPA-CYBMUJFWSA-N	0	3	306.406	2.757	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)c1nc(C#N)c(Cl)s1	ZINC000596167742	398346366	/nfs/dbraw/zinc/34/63/66/398346366.db2.gz	LJCPYVSVXUDETK-UHFFFAOYSA-N	0	3	321.837	2.631	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455935954	398347450	/nfs/dbraw/zinc/34/74/50/398347450.db2.gz	BUXLQPLABIEWCV-CQSZACIVSA-N	0	3	300.406	2.749	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2-n2ccc(C)n2)CC1	ZINC000448920995	398345846	/nfs/dbraw/zinc/34/58/46/398345846.db2.gz	KEPSRBVRZZBNBQ-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1	ZINC000066160961	398359901	/nfs/dbraw/zinc/35/99/01/398359901.db2.gz	SZPZEOPKWZDPCZ-MRXNPFEDSA-N	0	3	315.417	2.953	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)C#Cc2ccccc2)CC1	ZINC000081724841	398368367	/nfs/dbraw/zinc/36/83/67/398368367.db2.gz	KYRVVTWNJSGFDL-UHFFFAOYSA-N	0	3	322.408	2.754	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000066308778	398368413	/nfs/dbraw/zinc/36/84/13/398368413.db2.gz	LZGQUCSAIHTYHJ-SJLPKXTDSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2[nH]c(-c3ccccc3)nc2C)CC1	ZINC000592069284	398379443	/nfs/dbraw/zinc/37/94/43/398379443.db2.gz	XHPKPHAYSGSWMF-UHFFFAOYSA-N	0	3	324.428	2.765	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(C3CC3)s2)CC1	ZINC000592071163	398380250	/nfs/dbraw/zinc/38/02/50/398380250.db2.gz	DOYZMVXXDSAOMR-UHFFFAOYSA-N	0	3	305.447	2.791	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccncc2C#N)C1	ZINC000592126432	398388306	/nfs/dbraw/zinc/38/83/06/398388306.db2.gz	OFZSPXVJWDRKAQ-QGZVFWFLSA-N	0	3	320.440	2.907	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H]1[C@H]1CCCOC1	ZINC000592134947	398389477	/nfs/dbraw/zinc/38/94/77/398389477.db2.gz	VIZBOFGPBWISRN-RDJZCZTQSA-N	0	3	300.402	2.958	20	30		DFEDHN
CC1(C)CCC[C@H]1[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1	ZINC000592154241	398393341	/nfs/dbraw/zinc/39/33/41/398393341.db2.gz	NHHSSOWXSHZPNI-GJZGRUSLSA-N	0	3	303.450	2.697	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1ccc(Cl)cc1	ZINC000681456164	545642529	/nfs/dbraw/zinc/64/25/29/545642529.db2.gz	TUQQUKFJRKHAJM-FUHWJXTLSA-N	0	3	318.848	2.928	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)s1	ZINC000581896769	398393820	/nfs/dbraw/zinc/39/38/20/398393820.db2.gz	WYJXXIWVDMSEHK-HNNXBMFYSA-N	0	3	316.426	2.652	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC2(C[C@H]1C)CCOCC2	ZINC000592185343	398398753	/nfs/dbraw/zinc/39/87/53/398398753.db2.gz	XUVCNEBUNXVUFN-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)CCN1C	ZINC000596391257	398401724	/nfs/dbraw/zinc/40/17/24/398401724.db2.gz	CKFHRFSECNIRKA-CJNGLKHVSA-N	0	3	314.433	2.575	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](COC)C1CC1	ZINC000181582467	199322623	/nfs/dbraw/zinc/32/26/23/199322623.db2.gz	AWCSPDWHGILQSU-OAHLLOKOSA-N	0	3	320.458	2.918	20	30		DFEDHN
COc1cccc(C(=O)NCCN[C@H](C)c2cccc(C#N)c2)c1	ZINC000181614596	199328060	/nfs/dbraw/zinc/32/80/60/199328060.db2.gz	MWPGXCHBEVZFJY-CQSZACIVSA-N	0	3	323.396	2.647	20	30		DFEDHN
C[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000253141283	398420762	/nfs/dbraw/zinc/42/07/62/398420762.db2.gz	XBHYCXVTUSCSKS-CTYIDZIISA-N	0	3	306.431	2.500	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H]2CN(CC)CCO2)cc1Cl	ZINC000592386082	398419006	/nfs/dbraw/zinc/41/90/06/398419006.db2.gz	IYILANRVWAYQSB-OAHLLOKOSA-N	0	3	324.852	2.715	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(C#N)c(F)c1	ZINC000592398889	398421646	/nfs/dbraw/zinc/42/16/46/398421646.db2.gz	WCHGWYWDARIPHD-PXAZEXFGSA-N	0	3	306.381	2.526	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3C[C@H](c4cccc(F)c4)C3)cnc12	ZINC000592510626	398438059	/nfs/dbraw/zinc/43/80/59/398438059.db2.gz	MECMAAMGOAKMNN-CZIWCDLHSA-N	0	3	321.359	2.776	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCc3c2cccc3C)CC1	ZINC000592520895	398439762	/nfs/dbraw/zinc/43/97/62/398439762.db2.gz	UYYDPWGZSKTJKO-GOSISDBHSA-N	0	3	313.445	2.932	20	30		DFEDHN
COCC[C@@H](C)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000268001150	398444340	/nfs/dbraw/zinc/44/43/40/398444340.db2.gz	NEEUPVFQVNIMJC-OAHLLOKOSA-N	0	3	324.428	2.653	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000585765544	398446060	/nfs/dbraw/zinc/44/60/60/398446060.db2.gz	PAZOMFPQXQYACU-CGTJXYLNSA-N	0	3	316.445	2.683	20	30		DFEDHN
COCC(C)(C)N1CCN(CC#Cc2ccccc2Cl)CC1	ZINC000425505657	334954088	/nfs/dbraw/zinc/95/40/88/334954088.db2.gz	ONHSJLLWIRQXLP-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3ccc(F)cc3C#N)C2)C1	ZINC000296627859	530065414	/nfs/dbraw/zinc/06/54/14/530065414.db2.gz	NFLURHFBBNRBMW-KRWDZBQOSA-N	0	3	316.380	2.647	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)C1	ZINC000297458326	530059474	/nfs/dbraw/zinc/05/94/74/530059474.db2.gz	RBMDMGJKPITNHG-QGZVFWFLSA-N	0	3	316.380	2.647	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)F	ZINC000592671783	398464640	/nfs/dbraw/zinc/46/46/40/398464640.db2.gz	GNNGUDYMMUGGDT-RISCZKNCSA-N	0	3	305.328	2.648	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)F	ZINC000592671781	398465043	/nfs/dbraw/zinc/46/50/43/398465043.db2.gz	GNNGUDYMMUGGDT-BXUZGUMPSA-N	0	3	305.328	2.648	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)CCS1	ZINC000083415229	192369861	/nfs/dbraw/zinc/36/98/61/192369861.db2.gz	AYOGQUPBXXYGSH-UHFFFAOYSA-N	0	3	303.431	2.714	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)ccc1C)[C@H]1CCN(CC)C1	ZINC000596706074	398482153	/nfs/dbraw/zinc/48/21/53/398482153.db2.gz	CQOCBQVWESNZSC-HNNXBMFYSA-N	0	3	300.406	2.815	20	30		DFEDHN
N#CCCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000592819605	398490457	/nfs/dbraw/zinc/49/04/57/398490457.db2.gz	KMHXOINFKCCLPR-SFHVURJKSA-N	0	3	320.396	2.783	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C#N)CCN(C2CCC2)C1	ZINC000596754744	398493356	/nfs/dbraw/zinc/49/33/56/398493356.db2.gz	AEANHHMDUIOUET-YQQAZPJKSA-N	0	3	318.465	2.585	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596761930	398495229	/nfs/dbraw/zinc/49/52/29/398495229.db2.gz	DBEMEAAKEAJAGX-CVEARBPZSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cn1	ZINC000115018549	185656728	/nfs/dbraw/zinc/65/67/28/185656728.db2.gz	MLWIBGHWUQTXKQ-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
CCc1nc(C#N)cc(N2CCCN(Cc3ccccc3)CC2)n1	ZINC000308164980	398512570	/nfs/dbraw/zinc/51/25/70/398512570.db2.gz	GKGTZCWQKLZOPL-UHFFFAOYSA-N	0	3	321.428	2.623	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccn(C(C)C)n2)CC1	ZINC000280405277	334964535	/nfs/dbraw/zinc/96/45/35/334964535.db2.gz	BUCHRJGELVTFKG-UHFFFAOYSA-N	0	3	305.426	2.626	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCCN(CC)CC2)c1	ZINC000091173211	398517501	/nfs/dbraw/zinc/51/75/01/398517501.db2.gz	YZQOVHSZMGDNIP-UHFFFAOYSA-N	0	3	303.406	2.811	20	30		DFEDHN
N#CC1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1	ZINC000596867736	398519097	/nfs/dbraw/zinc/51/90/97/398519097.db2.gz	ZWSORWFICIRGBI-MRXNPFEDSA-N	0	3	318.465	2.730	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCOCC1	ZINC000593017059	398521285	/nfs/dbraw/zinc/52/12/85/398521285.db2.gz	CKJAJHAKXJTGNZ-UHFFFAOYSA-N	0	3	303.362	2.856	20	30		DFEDHN
CN(Cc1ccccc1)C[C@H](O)COc1cc(F)cc(C#N)c1	ZINC000589059340	398523742	/nfs/dbraw/zinc/52/37/42/398523742.db2.gz	KPFIJGFUJYMNDV-KRWDZBQOSA-N	0	3	314.360	2.569	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCOCC2)CC1	ZINC000589159720	398531212	/nfs/dbraw/zinc/53/12/12/398531212.db2.gz	MBHRMZFBVZMUTI-APWZRJJASA-N	0	3	313.445	2.806	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@@H](OC(C)C)C1	ZINC000593055574	398532973	/nfs/dbraw/zinc/53/29/73/398532973.db2.gz	LYQGZARUNLIMID-MRXNPFEDSA-N	0	3	318.417	2.835	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000091506418	398534400	/nfs/dbraw/zinc/53/44/00/398534400.db2.gz	QXFZGXLXVNWLSR-KRWDZBQOSA-N	0	3	315.461	2.988	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000091618392	398536859	/nfs/dbraw/zinc/53/68/59/398536859.db2.gz	OWZBEFMWBHJYBI-QGZVFWFLSA-N	0	3	321.509	2.798	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000091556015	398536078	/nfs/dbraw/zinc/53/60/78/398536078.db2.gz	FRQARKCFQIJOBI-IRXDYDNUSA-N	0	3	321.509	2.796	20	30		DFEDHN
Cc1nc(C(=O)NCCCN(C)Cc2ccccc2)ccc1C#N	ZINC000032766070	398538849	/nfs/dbraw/zinc/53/88/49/398538849.db2.gz	MYVVCGZBXOPWOI-UHFFFAOYSA-N	0	3	322.412	2.514	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2)[C@@H](Cc2ccccc2)C1	ZINC000593088623	398541890	/nfs/dbraw/zinc/54/18/90/398541890.db2.gz	IYUOFVYVEMDRPI-FQEVSTJZSA-N	0	3	305.425	2.917	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1F	ZINC000596998869	398544473	/nfs/dbraw/zinc/54/44/73/398544473.db2.gz	NWULACNKPMVXIG-ZDUSSCGKSA-N	0	3	319.355	2.537	20	30		DFEDHN
CC[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)cc1	ZINC000589344909	398547201	/nfs/dbraw/zinc/54/72/01/398547201.db2.gz	ZKDMHTHEWJEIJP-GOSISDBHSA-N	0	3	307.397	2.827	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1OC	ZINC000091899442	398548958	/nfs/dbraw/zinc/54/89/58/398548958.db2.gz	GJRYIONVQBDXPQ-HOTGVXAUSA-N	0	3	305.418	2.853	20	30		DFEDHN
N#CC1(c2ccc(CN3CCSC[C@H]3CCO)cc2)CC1	ZINC000597026213	398549982	/nfs/dbraw/zinc/54/99/82/398549982.db2.gz	FQHLMBNDIUKUIW-MRXNPFEDSA-N	0	3	302.443	2.542	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@]2(CC2(F)F)C1	ZINC000593118405	398551079	/nfs/dbraw/zinc/55/10/79/398551079.db2.gz	VZZOJDFGJUOFSB-HNNXBMFYSA-N	0	3	308.328	2.677	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)NCC2(C#N)CCCC2)c1	ZINC000593142428	398557261	/nfs/dbraw/zinc/55/72/61/398557261.db2.gz	LOEWVOFDJRNWAW-UHFFFAOYSA-N	0	3	300.406	2.954	20	30		DFEDHN
CC1(C)CCN(C[C@H](O)COc2ccc(C#N)cc2)CCS1	ZINC000279807309	215164238	/nfs/dbraw/zinc/16/42/38/215164238.db2.gz	XFCDOGIOQRYYFJ-HNNXBMFYSA-N	0	3	320.458	2.515	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000589584556	398561545	/nfs/dbraw/zinc/56/15/45/398561545.db2.gz	ZUENWJLYOVTBKZ-ZBFHGGJFSA-N	0	3	314.389	2.920	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000069339767	398565446	/nfs/dbraw/zinc/56/54/46/398565446.db2.gz	IAQNBIWEVOUPDZ-INIZCTEOSA-N	0	3	316.445	2.748	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)CCN1CCCCC1	ZINC000593172101	398563423	/nfs/dbraw/zinc/56/34/23/398563423.db2.gz	HSMMUAKUXKZIHT-UHFFFAOYSA-N	0	3	300.406	2.816	20	30		DFEDHN
Cc1nc(N2CCC[C@@H]2[C@@H]2CCCN2C)c(Cl)cc1C#N	ZINC000589687318	398570860	/nfs/dbraw/zinc/57/08/60/398570860.db2.gz	QROSZZCYQCIKEF-LSDHHAIUSA-N	0	3	304.825	2.978	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2N[C@@H]2CCC[C@H](C#N)C2)cn1	ZINC000597160394	398579240	/nfs/dbraw/zinc/57/92/40/398579240.db2.gz	BVKSNWQSKCMVCQ-SVGFKBNWSA-N	0	3	302.422	2.966	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2N[C@H]2CCC[C@H](C#N)C2)cn1	ZINC000597160393	398579369	/nfs/dbraw/zinc/57/93/69/398579369.db2.gz	BVKSNWQSKCMVCQ-LLLHUVSDSA-N	0	3	302.422	2.966	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000092501868	398580629	/nfs/dbraw/zinc/58/06/29/398580629.db2.gz	OSNBRXYPJKZFGL-OAHLLOKOSA-N	0	3	316.449	2.904	20	30		DFEDHN
C=C[C@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000092501867	398580371	/nfs/dbraw/zinc/58/03/71/398580371.db2.gz	OSNBRXYPJKZFGL-HNNXBMFYSA-N	0	3	316.449	2.904	20	30		DFEDHN
CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000120023404	282637681	/nfs/dbraw/zinc/63/76/81/282637681.db2.gz	KKMWOQYVHJZFJU-MJGOQNOKSA-N	0	3	323.371	2.759	20	30		DFEDHN
C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)C1O	ZINC000597204551	398590385	/nfs/dbraw/zinc/59/03/85/398590385.db2.gz	IRXHHYQIUVSKDG-GJZGRUSLSA-N	0	3	302.418	2.818	20	30		DFEDHN
C[C@@]12COC[C@H]1CN(Cc1cccc(OCCCC#N)c1)C2	ZINC000597212575	398591709	/nfs/dbraw/zinc/59/17/09/398591709.db2.gz	VQNYTBGZGZFOJZ-SJLPKXTDSA-N	0	3	300.402	2.837	20	30		DFEDHN
CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21	ZINC000042626943	398597167	/nfs/dbraw/zinc/59/71/67/398597167.db2.gz	ZCCRJFZFSCKLJV-YLJYHZDGSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H](CN4CCCC4=O)C3)cc2)CC1	ZINC000597227242	398597988	/nfs/dbraw/zinc/59/79/88/398597988.db2.gz	BOFAMYRFIQFSLP-KRWDZBQOSA-N	0	3	323.440	2.686	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000070790894	398598622	/nfs/dbraw/zinc/59/86/22/398598622.db2.gz	SXSZXCFUPWDAOO-OAHLLOKOSA-N	0	3	323.356	2.548	20	30		DFEDHN
COC(=O)[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000597245819	398605551	/nfs/dbraw/zinc/60/55/51/398605551.db2.gz	PCDWZKNEKJBUOT-HAQNSBGRSA-N	0	3	312.291	2.618	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)CC2(C#N)CC2)CC1	ZINC000590160078	398602409	/nfs/dbraw/zinc/60/24/09/398602409.db2.gz	FUUGEDYTIASFLQ-UHFFFAOYSA-N	0	3	311.429	2.770	20	30		DFEDHN
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)c(OC)c1	ZINC000597243544	398604561	/nfs/dbraw/zinc/60/45/61/398604561.db2.gz	ZLDOPFHLHMLZHE-FUHWJXTLSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@@H]1CCN(C(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590285884	398609825	/nfs/dbraw/zinc/60/98/25/398609825.db2.gz	RBTLUCYJFFNRJH-MRXNPFEDSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN(C(=O)CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000590289792	398610615	/nfs/dbraw/zinc/61/06/15/398610615.db2.gz	SGVXZQIDGAUUIG-KRWDZBQOSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN(CCCSCC#N)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000072513615	398618458	/nfs/dbraw/zinc/61/84/58/398618458.db2.gz	SJKNLBGXLBIELT-UHFFFAOYSA-N	0	3	317.458	2.657	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000147732486	186041310	/nfs/dbraw/zinc/04/13/10/186041310.db2.gz	GBEDWZWEGURXSF-CZUORRHYSA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1nccs1	ZINC000093404725	398636882	/nfs/dbraw/zinc/63/68/82/398636882.db2.gz	AWKQXWWBNAGRJQ-GFCCVEGCSA-N	0	3	313.430	2.729	20	30		DFEDHN
C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)O1	ZINC000590648949	398645554	/nfs/dbraw/zinc/64/55/54/398645554.db2.gz	HYPPLSCOVQRVBJ-XNJGSVPQSA-N	0	3	310.401	2.614	20	30		DFEDHN
Cc1nnc(NCCN(C)Cc2ccc(F)cc2)c(C#N)c1C	ZINC000264245731	186325352	/nfs/dbraw/zinc/32/53/52/186325352.db2.gz	WMWNEIRTZISLEP-UHFFFAOYSA-N	0	3	313.380	2.648	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000593534872	398653334	/nfs/dbraw/zinc/65/33/34/398653334.db2.gz	GJOVWGDRVGIQHD-TZMCWYRMSA-N	0	3	302.374	2.593	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000593532387	398653358	/nfs/dbraw/zinc/65/33/58/398653358.db2.gz	QETNWYOEANCXBV-LSDHHAIUSA-N	0	3	316.401	2.605	20	30		DFEDHN
N#Cc1ccncc1NCc1ccccc1CN1CCC(O)CC1	ZINC000094170117	398656437	/nfs/dbraw/zinc/65/64/37/398656437.db2.gz	HGTAEUBJPAMLDS-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1	ZINC000171893030	198003172	/nfs/dbraw/zinc/00/31/72/198003172.db2.gz	CJLYIRKMQUYIFO-MRXNPFEDSA-N	0	3	315.417	2.953	20	30		DFEDHN
CC(C)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000171923310	198009346	/nfs/dbraw/zinc/00/93/46/198009346.db2.gz	YQGSEPMZDZAEOC-OAHLLOKOSA-N	0	3	301.434	2.741	20	30		DFEDHN
CC(C)c1nc(CNC2CCN(CC#N)CC2)c2ccccn21	ZINC000593594853	398659316	/nfs/dbraw/zinc/65/93/16/398659316.db2.gz	FMDHOTGFIFGHQU-UHFFFAOYSA-N	0	3	311.433	2.535	20	30		DFEDHN
CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1cccc(C)c1C	ZINC000593614696	398661803	/nfs/dbraw/zinc/66/18/03/398661803.db2.gz	VOJHIFCSZATUFL-DZGCQCFKSA-N	0	3	302.374	2.574	20	30		DFEDHN
CN1CCC(Nc2nc3c(c(C#N)c2C#N)CCCCCC3)CC1	ZINC000280084685	215364423	/nfs/dbraw/zinc/36/44/23/215364423.db2.gz	RRTLYJAHNWNSPY-UHFFFAOYSA-N	0	3	323.444	2.990	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1	ZINC000172290200	198071637	/nfs/dbraw/zinc/07/16/37/198071637.db2.gz	IGPDEEZBAUCIPI-UONOGXRCSA-N	0	3	320.383	2.835	20	30		DFEDHN
COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000590752399	398665971	/nfs/dbraw/zinc/66/59/71/398665971.db2.gz	SJGCKKIKNFZBIP-OLZOCXBDSA-N	0	3	324.327	2.591	20	30		DFEDHN
Cc1cccc(C)c1CN1CCN(c2ccc(C#N)cn2)CC1	ZINC000172528589	198110153	/nfs/dbraw/zinc/11/01/53/198110153.db2.gz	NUBBOAUDRNCHOI-UHFFFAOYSA-N	0	3	306.413	2.892	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H]2CCCCN2C1=O	ZINC000590780424	398673076	/nfs/dbraw/zinc/67/30/76/398673076.db2.gz	ZOGUFONSOXUDFE-NJAFHUGGSA-N	0	3	309.413	2.679	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000593708956	398675444	/nfs/dbraw/zinc/67/54/44/398675444.db2.gz	UDBYJQIKWVGQMR-WMLDXEAASA-N	0	3	317.433	2.742	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1	ZINC000172908475	198166317	/nfs/dbraw/zinc/16/63/17/198166317.db2.gz	UXBWSQVKDSRPIL-LSDHHAIUSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1	ZINC000072862179	191243329	/nfs/dbraw/zinc/24/33/29/191243329.db2.gz	ALWACFWYBBTDPI-OAHLLOKOSA-N	0	3	303.431	2.714	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OC(C)C)cc2)C1=O	ZINC000281207531	334977681	/nfs/dbraw/zinc/97/76/81/334977681.db2.gz	NOGSSNRWECGRAK-WMLDXEAASA-N	0	3	302.418	2.911	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1	ZINC000173161006	198190602	/nfs/dbraw/zinc/19/06/02/198190602.db2.gz	XSGKVBZIDHTNAU-ICSRJNTNSA-N	0	3	310.441	2.657	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccnc2NC(C)C)CC1	ZINC000173161170	198190684	/nfs/dbraw/zinc/19/06/84/198190684.db2.gz	LWMWASVHXGTKDG-UHFFFAOYSA-N	0	3	316.449	2.672	20	30		DFEDHN
C=CCOCCCC(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000173612097	198232415	/nfs/dbraw/zinc/23/24/15/198232415.db2.gz	CMOVFLNFQDQJBR-UHFFFAOYSA-N	0	3	306.406	2.548	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)CO1	ZINC000593807159	398690990	/nfs/dbraw/zinc/69/09/90/398690990.db2.gz	GRYLEVDNIPBLSM-USXIJHARSA-N	0	3	300.402	2.785	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(OC)nc1)C(C)C	ZINC000046049054	398692879	/nfs/dbraw/zinc/69/28/79/398692879.db2.gz	YEEYVCOEKOWQKU-MRXNPFEDSA-N	0	3	317.433	2.519	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1	ZINC000105586038	398693466	/nfs/dbraw/zinc/69/34/66/398693466.db2.gz	YXACIJRPACHDIS-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2	ZINC000174029764	198283618	/nfs/dbraw/zinc/28/36/18/198283618.db2.gz	FCFMSUGXKULWEL-BBRMVZONSA-N	0	3	309.417	2.939	20	30		DFEDHN
C[C@@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1	ZINC000593859142	398698497	/nfs/dbraw/zinc/69/84/97/398698497.db2.gz	PUGPRVNSRURCST-WMLDXEAASA-N	0	3	300.402	2.690	20	30		DFEDHN
C[C@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1	ZINC000593859141	398698591	/nfs/dbraw/zinc/69/85/91/398698591.db2.gz	PUGPRVNSRURCST-RHSMWYFYSA-N	0	3	300.402	2.690	20	30		DFEDHN
C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1cccc(C#N)c1	ZINC000590906362	398699202	/nfs/dbraw/zinc/69/92/02/398699202.db2.gz	VBGQAJQSJGDXFY-AWEZNQCLSA-N	0	3	311.429	3.000	20	30		DFEDHN
COc1cccc(N2CCC[C@@H](NCc3ccc(C#N)o3)C2)c1	ZINC000174406116	198330429	/nfs/dbraw/zinc/33/04/29/198330429.db2.gz	TXCGVSDGLYPBEE-CQSZACIVSA-N	0	3	311.385	2.918	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)nc1	ZINC000107540962	398703792	/nfs/dbraw/zinc/70/37/92/398703792.db2.gz	YVLUURFBGMASPB-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000597860208	398705845	/nfs/dbraw/zinc/70/58/45/398705845.db2.gz	LXVFBSOKOXVYOQ-IAGOWNOFSA-N	0	3	313.445	2.748	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)NCC(C)(C)CC#N	ZINC000590949147	398706106	/nfs/dbraw/zinc/70/61/06/398706106.db2.gz	PFOFVQNGDWPCNH-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)C(C)C	ZINC000174830086	198390874	/nfs/dbraw/zinc/39/08/74/198390874.db2.gz	AUVLCJYOJDOPEO-AEFFLSMTSA-N	0	3	315.461	3.000	20	30		DFEDHN
C=CCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1	ZINC000174835082	198391161	/nfs/dbraw/zinc/39/11/61/198391161.db2.gz	IUGLWNCKLIYTKV-UHFFFAOYSA-N	0	3	300.362	2.522	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](NC3CC4(CCC4)C3)C2=O)cc1	ZINC000590962722	398709401	/nfs/dbraw/zinc/70/94/01/398709401.db2.gz	RMAYUBYUDSSDSW-KRWDZBQOSA-N	0	3	309.413	2.581	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCCCC#N	ZINC000593974784	398712353	/nfs/dbraw/zinc/71/23/53/398712353.db2.gz	YRGOHWUCQSCNBE-UHFFFAOYSA-N	0	3	323.387	2.939	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1	ZINC000590972199	398712044	/nfs/dbraw/zinc/71/20/44/398712044.db2.gz	WANNTJXCYKXTBN-AEFFLSMTSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cc1cc(C#N)ccc1CN(CCN(C)C)Cc1ccccn1	ZINC000594000538	398718260	/nfs/dbraw/zinc/71/82/60/398718260.db2.gz	ZUOPOYLFTGVUPB-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1	ZINC000597912696	398719253	/nfs/dbraw/zinc/71/92/53/398719253.db2.gz	WAQAQSRQVULRFP-MSOLQXFVSA-N	0	3	311.429	2.803	20	30		DFEDHN
C#CCCOc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1	ZINC000277055107	213266633	/nfs/dbraw/zinc/26/66/33/213266633.db2.gz	PMBFIAZDGMNMMM-UHFFFAOYSA-N	0	3	308.381	2.748	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN(C)Cc1ccc(C#N)cc1	ZINC000046835916	398720225	/nfs/dbraw/zinc/72/02/25/398720225.db2.gz	CTTBVGBCLPUCOT-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000597925944	398722847	/nfs/dbraw/zinc/72/28/47/398722847.db2.gz	ZDAYTLYQXDAWSQ-PBHICJAKSA-N	0	3	313.445	2.726	20	30		DFEDHN
N#Cc1ccncc1NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000277006862	213236620	/nfs/dbraw/zinc/23/66/20/213236620.db2.gz	IQMVGHRVWHDDOK-SFHVURJKSA-N	0	3	322.412	2.656	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000276998818	213230526	/nfs/dbraw/zinc/23/05/26/213230526.db2.gz	YYOCUBUGNDHMJQ-IBGZPJMESA-N	0	3	318.461	2.888	20	30		DFEDHN
CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCCCO1	ZINC000594041074	398728745	/nfs/dbraw/zinc/72/87/45/398728745.db2.gz	CDAATHFLQSWMSZ-JKSUJKDBSA-N	0	3	321.465	2.609	20	30		DFEDHN
C=CCOCC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000591196161	398738389	/nfs/dbraw/zinc/73/83/89/398738389.db2.gz	SIBNOVOHJQYVHX-QGZVFWFLSA-N	0	3	302.418	2.532	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594071862	398737620	/nfs/dbraw/zinc/73/76/20/398737620.db2.gz	CFKVEZKZNHZKJD-HZPDHXFCSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(Cc1ccc2nc(NC(=O)CC#N)sc2c1)C1CC1	ZINC000598031880	398740492	/nfs/dbraw/zinc/74/04/92/398740492.db2.gz	ZCTSXCMRHOCREU-UHFFFAOYSA-N	0	3	300.387	2.743	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1oc(C)nc1C)C(C)C	ZINC000073640470	191335690	/nfs/dbraw/zinc/33/56/90/191335690.db2.gz	YOVXEJLHTQJCHI-HNNXBMFYSA-N	0	3	305.422	2.720	20	30		DFEDHN
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(CC)C1	ZINC000598038663	398742016	/nfs/dbraw/zinc/74/20/16/398742016.db2.gz	FYCWECBVVRIRMY-QGZVFWFLSA-N	0	3	311.429	2.798	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000047260394	398742822	/nfs/dbraw/zinc/74/28/22/398742822.db2.gz	ODMYRUMMXFJNFU-QGZVFWFLSA-N	0	3	320.396	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2c(C)noc2C)CC1	ZINC000113974711	398742866	/nfs/dbraw/zinc/74/28/66/398742866.db2.gz	TYLZRWIMKKEHPM-LBPRGKRZSA-N	0	3	320.437	2.692	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)cc1	ZINC000378088996	283123722	/nfs/dbraw/zinc/12/37/22/283123722.db2.gz	MTWKBSZDADBTRP-LJQANCHMSA-N	0	3	319.408	2.953	20	30		DFEDHN
COc1ccccc1[C@H](N)CNc1nc2c(cc1C#N)CCC2	ZINC000591424638	398758697	/nfs/dbraw/zinc/75/86/97/398758697.db2.gz	MCDVSVAMHQGEMC-OAHLLOKOSA-N	0	3	308.385	2.562	20	30		DFEDHN
C[C@@H](C#N)N(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1	ZINC000598130748	398759294	/nfs/dbraw/zinc/75/92/94/398759294.db2.gz	UZNDQHPCZVGMTD-HNNXBMFYSA-N	0	3	311.429	2.802	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2c(C#N)cnc3ccc(Cl)cc32)C1	ZINC000591442180	398761748	/nfs/dbraw/zinc/76/17/48/398761748.db2.gz	MKLZMJZQHFYFAL-MRXNPFEDSA-N	0	3	318.783	2.898	20	30		DFEDHN
Cc1nc(-c2cccc(NC(=O)[C@@]3(C#N)CCNC3)c2)cs1	ZINC000591592890	398774546	/nfs/dbraw/zinc/77/45/46/398774546.db2.gz	UWNRFWJHHLKJFO-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
C[C@H](NC(=O)[C@@]1(C#N)CCNC1)c1cc(Cl)ccc1Cl	ZINC000591595291	398774557	/nfs/dbraw/zinc/77/45/57/398774557.db2.gz	XHIOPTXCOFIQHP-LKFCYVNXSA-N	0	3	312.200	2.674	20	30		DFEDHN
COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](N)CCCC#N	ZINC000591592197	398774590	/nfs/dbraw/zinc/77/45/90/398774590.db2.gz	RDMPSCQJZDVFBE-ZDUSSCGKSA-N	0	3	303.406	2.952	20	30		DFEDHN
N#C[C@]1(C(=O)NCC2CCC(c3ccccc3)CC2)CCNC1	ZINC000591613631	398775932	/nfs/dbraw/zinc/77/59/32/398775932.db2.gz	QKAHKVPDDYKLMZ-GXOAENINSA-N	0	3	311.429	2.580	20	30		DFEDHN
Cc1cccc(-c2ccc(CNC(=O)[C@]3(C#N)CCNC3)cc2)c1	ZINC000591615337	398776107	/nfs/dbraw/zinc/77/61/07/398776107.db2.gz	FBMILSYRTUIKNR-FQEVSTJZSA-N	0	3	319.408	2.782	20	30		DFEDHN
Cc1sc(NC(=O)[C@@]2(C#N)CCNC2)nc1-c1ccccc1	ZINC000591591640	398774781	/nfs/dbraw/zinc/77/47/81/398774781.db2.gz	JPNLYKYSSLNOJW-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
CC[C@@H]1CN(C(=O)[C@]2(C#N)CCNC2)CC[C@@H]1c1ccccc1	ZINC000591625865	398777307	/nfs/dbraw/zinc/77/73/07/398777307.db2.gz	CWNMUEHXLYXMGX-AYBZRNKSSA-N	0	3	311.429	2.532	20	30		DFEDHN
Cc1nc(-c2ccccc2)sc1NC(=O)[C@]1(C#N)CCNC1	ZINC000591636892	398777765	/nfs/dbraw/zinc/77/77/65/398777765.db2.gz	NZDUWEMTXRAIDE-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCN3CCCC[C@@H]13)C2	ZINC000594283169	398779089	/nfs/dbraw/zinc/77/90/89/398779089.db2.gz	DBWVKGSVLDOGMA-MSOLQXFVSA-N	0	3	324.428	2.600	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594299702	398781041	/nfs/dbraw/zinc/78/10/41/398781041.db2.gz	NRNLQPYQEKMGLN-YJBOKZPZSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(c3ccncc3)CC2)cc1	ZINC000191616271	283188881	/nfs/dbraw/zinc/18/88/81/283188881.db2.gz	MHWRCXVFJTUJJB-LJQANCHMSA-N	0	3	307.397	2.866	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1	ZINC000591744210	398784129	/nfs/dbraw/zinc/78/41/29/398784129.db2.gz	DBBKKCJGXFWQAQ-YSIASYRMSA-N	0	3	322.408	2.618	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COCc1ccccc1	ZINC000591763964	398785701	/nfs/dbraw/zinc/78/57/01/398785701.db2.gz	UHVKLBJWIOTJKR-ICSRJNTNSA-N	0	3	322.408	2.713	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1c1ncc2c(c1C#N)CCC2	ZINC000591821057	398791899	/nfs/dbraw/zinc/79/18/99/398791899.db2.gz	IEVZGDMTSMWYNK-CVEARBPZSA-N	0	3	310.445	2.895	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(c2ccc(C#N)cc2)CCC1	ZINC000594403084	398793165	/nfs/dbraw/zinc/79/31/65/398793165.db2.gz	DYXVGJCSGFGNGZ-HUUCEWRRSA-N	0	3	311.429	2.926	20	30		DFEDHN
CC1(C)[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(F)F	ZINC000598336901	398794751	/nfs/dbraw/zinc/79/47/51/398794751.db2.gz	IJUQGIJEHXLAFO-KBPBESRZSA-N	0	3	317.339	2.648	20	30		DFEDHN
N#Cc1ccnc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1	ZINC000282916995	283220175	/nfs/dbraw/zinc/22/01/75/283220175.db2.gz	IKGQBAWHNYLDRI-SFHVURJKSA-N	0	3	320.396	2.520	20	30		DFEDHN
COc1ccc(CC[C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594426772	398798017	/nfs/dbraw/zinc/79/80/17/398798017.db2.gz	GXPSNZIYKSWHLT-WMLDXEAASA-N	0	3	317.433	2.544	20	30		DFEDHN
COc1cccc2sc(NC(=O)[C@H](N)CCCCC#N)nc21	ZINC000594425931	398798056	/nfs/dbraw/zinc/79/80/56/398798056.db2.gz	MXMMVCPUPMWDRS-SNVBAGLBSA-N	0	3	318.402	2.655	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CCCCC#N	ZINC000594431382	398799414	/nfs/dbraw/zinc/79/94/14/398799414.db2.gz	LJYZXCQBQLNCHM-INIZCTEOSA-N	0	3	303.381	2.752	20	30		DFEDHN
CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OCC	ZINC000594428358	398798730	/nfs/dbraw/zinc/79/87/30/398798730.db2.gz	YIWFPUXIAKSJHV-CQSZACIVSA-N	0	3	319.405	2.834	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1	ZINC000594430229	398799495	/nfs/dbraw/zinc/79/94/95/398799495.db2.gz	XGIAPHFAWONMDH-IRXDYDNUSA-N	0	3	315.417	2.674	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccccc1OCC1CC1	ZINC000594433344	398800572	/nfs/dbraw/zinc/80/05/72/398800572.db2.gz	NYBPGDFZXXXLHC-CQSZACIVSA-N	0	3	301.390	2.825	20	30		DFEDHN
COc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1Cl	ZINC000594432745	398800395	/nfs/dbraw/zinc/80/03/95/398800395.db2.gz	GGOVORKQDQCADY-CYBMUJFWSA-N	0	3	309.797	2.723	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OC(F)F	ZINC000594433111	398800766	/nfs/dbraw/zinc/80/07/66/398800766.db2.gz	LRRKLFFNKQJNQX-SNVBAGLBSA-N	0	3	315.295	2.777	20	30		DFEDHN
Cc1ccc(C(C)(C)CNC(=O)[C@H](N)CCCCC#N)cc1	ZINC000594435051	398801705	/nfs/dbraw/zinc/80/17/05/398801705.db2.gz	ZTMGENYNAGDNCW-MRXNPFEDSA-N	0	3	301.434	2.800	20	30		DFEDHN
COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594438527	398802068	/nfs/dbraw/zinc/80/20/68/398802068.db2.gz	OHQVILUHKQRJLX-JKSUJKDBSA-N	0	3	315.417	2.770	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1	ZINC000050025306	398802115	/nfs/dbraw/zinc/80/21/15/398802115.db2.gz	WHDQWTWZUIBOBL-UHFFFAOYSA-N	0	3	324.346	2.667	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1	ZINC000050008929	398802358	/nfs/dbraw/zinc/80/23/58/398802358.db2.gz	RYMOULCACMRQKV-UHFFFAOYSA-N	0	3	311.429	2.896	20	30		DFEDHN
CC(C)N(C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594439085	398802441	/nfs/dbraw/zinc/80/24/41/398802441.db2.gz	SCPQVPVQSAOTRU-MRXNPFEDSA-N	0	3	302.422	2.881	20	30		DFEDHN
Cc1cccc(OC(F)F)c1NC(=O)[C@H](N)CCCCC#N	ZINC000594436010	398802598	/nfs/dbraw/zinc/80/25/98/398802598.db2.gz	GOYNVJHVQQRRJR-LLVKDONJSA-N	0	3	311.332	2.946	20	30		DFEDHN
Cc1csc([C@@H]2CCCCN2C(=O)[C@H](N)CCCCC#N)n1	ZINC000594439788	398802996	/nfs/dbraw/zinc/80/29/96/398802996.db2.gz	ZUCYYXAWPKUPPU-KGLIPLIRSA-N	0	3	320.462	2.916	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCCc1ccc(Cl)cc1	ZINC000594440213	398803242	/nfs/dbraw/zinc/80/32/42/398803242.db2.gz	WSRCWTDNSYKVFS-OAHLLOKOSA-N	0	3	307.825	2.800	20	30		DFEDHN
COCCC1(CNC(=O)[C@H](N)CCCCC#N)CCCCC1	ZINC000594445938	398804618	/nfs/dbraw/zinc/80/46/18/398804618.db2.gz	MPQYTVMGSQZLNC-OAHLLOKOSA-N	0	3	309.454	2.501	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2Cl)CC1	ZINC000594449336	398805232	/nfs/dbraw/zinc/80/52/32/398805232.db2.gz	GVGDWMSSCQBLGN-CQSZACIVSA-N	0	3	305.809	2.857	20	30		DFEDHN
COc1cccc2nc(NC(=O)[C@H](N)CCCCC#N)sc21	ZINC000594450378	398805328	/nfs/dbraw/zinc/80/53/28/398805328.db2.gz	JVGHYWCYNQVEBL-SNVBAGLBSA-N	0	3	318.402	2.655	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)CCN1CCN(c2ccccc2)CC1	ZINC000281742140	334985116	/nfs/dbraw/zinc/98/51/16/334985116.db2.gz	OURYBWRNMMUKGS-QGZVFWFLSA-N	0	3	315.461	2.670	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Nc1ccccc1	ZINC000594463647	398807002	/nfs/dbraw/zinc/80/70/02/398807002.db2.gz	JGOBFTXQBLIPFK-DLBZAZTESA-N	0	3	316.449	2.651	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1O	ZINC000594468212	398807023	/nfs/dbraw/zinc/80/70/23/398807023.db2.gz	KOMCIGTVQLDMMJ-JTQLQIEISA-N	0	3	315.295	2.761	20	30		DFEDHN
CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594496539	398810196	/nfs/dbraw/zinc/81/01/96/398810196.db2.gz	MYQVXXJOKVKLKO-ZIAGYGMSSA-N	0	3	301.434	2.881	20	30		DFEDHN
CCC[C@@H](C(=O)NCCSCc1ccccc1C#N)N(C)C	ZINC000179264614	199007198	/nfs/dbraw/zinc/00/71/98/199007198.db2.gz	UZNJJNONOYBEIG-INIZCTEOSA-N	0	3	319.474	2.638	20	30		DFEDHN
CC1(C)OCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598454731	398815912	/nfs/dbraw/zinc/81/59/12/398815912.db2.gz	OAJFDXPHFQQODS-HOTGVXAUSA-N	0	3	300.402	2.690	20	30		DFEDHN
CC(C)[C@@H](CNc1cc(Cl)ccc1C#N)N1CCN(C)CC1	ZINC000075640012	398814866	/nfs/dbraw/zinc/81/48/66/398814866.db2.gz	QNBZYRRXFNGIQP-QGZVFWFLSA-N	0	3	320.868	2.896	20	30		DFEDHN
N#Cc1ccc(C2(NC(=O)Nc3ncccc3CN)CCC2)cc1	ZINC000594534262	398816689	/nfs/dbraw/zinc/81/66/89/398816689.db2.gz	CWJVNQWYCJMVLT-UHFFFAOYSA-N	0	3	321.384	2.613	20	30		DFEDHN
C=CCN(CCC(=O)N1CCC[C@H]1C)Cc1cccc(C#N)c1	ZINC000075674290	398817074	/nfs/dbraw/zinc/81/70/74/398817074.db2.gz	LKINUIAVKJANQY-MRXNPFEDSA-N	0	3	311.429	2.947	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H]2CC(=O)OC)cc1OC	ZINC000179892815	199092642	/nfs/dbraw/zinc/09/26/42/199092642.db2.gz	BGERVDTWBWXPMF-HNNXBMFYSA-N	0	3	319.401	2.788	20	30		DFEDHN
CO[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000179939700	199097264	/nfs/dbraw/zinc/09/72/64/199097264.db2.gz	QFYASCHVTCDVEN-KRWDZBQOSA-N	0	3	310.401	2.570	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccc1C#N	ZINC000594616462	398834451	/nfs/dbraw/zinc/83/44/51/398834451.db2.gz	CFKCRNGMXQOUTG-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCO1	ZINC000179975125	199101424	/nfs/dbraw/zinc/10/14/24/199101424.db2.gz	BMEKMZLSIGVXIQ-GOSISDBHSA-N	0	3	324.428	2.960	20	30		DFEDHN
COc1ccc(CN(C[C@H](O)CC(C)(C)C#N)C2CC2)cc1	ZINC000598583876	398836130	/nfs/dbraw/zinc/83/61/30/398836130.db2.gz	GFJUBTGLBVEZEA-MRXNPFEDSA-N	0	3	302.418	2.960	20	30		DFEDHN
CC(C)(C)[C@@H](N)c1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1	ZINC000594646386	398836707	/nfs/dbraw/zinc/83/67/07/398836707.db2.gz	ZYFRLPNMAHXSJL-LBPRGKRZSA-N	0	3	324.310	2.599	20	30		DFEDHN
Cc1csc([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)n1	ZINC000598591794	398838064	/nfs/dbraw/zinc/83/80/64/398838064.db2.gz	ZZYHDOZNKCYDEB-KBPBESRZSA-N	0	3	307.463	2.932	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](Nc2ccccc2)C1	ZINC000598597755	398838714	/nfs/dbraw/zinc/83/87/14/398838714.db2.gz	HOFACVJLAIIYPF-IAGOWNOFSA-N	0	3	301.434	2.864	20	30		DFEDHN
CCC[C@@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1	ZINC000594657297	398838863	/nfs/dbraw/zinc/83/88/63/398838863.db2.gz	PVLVJHXFUNRTHX-GFCCVEGCSA-N	0	3	309.295	2.958	20	30		DFEDHN
COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598617463	398842208	/nfs/dbraw/zinc/84/22/08/398842208.db2.gz	RRUKXGNEXILATB-HUUCEWRRSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccc1)C1(CO)CCC1	ZINC000598617604	398842252	/nfs/dbraw/zinc/84/22/52/398842252.db2.gz	KMEPXGDEABRTII-IRXDYDNUSA-N	0	3	316.445	2.781	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](c1cccs1)C1(CO)CCC1	ZINC000598619507	398842432	/nfs/dbraw/zinc/84/24/32/398842432.db2.gz	DNLWZAZIDGGHSE-UKRRQHHQSA-N	0	3	322.474	2.842	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598622385	398842600	/nfs/dbraw/zinc/84/26/00/398842600.db2.gz	JKMGSAMEULTLNB-HUUCEWRRSA-N	0	3	324.465	2.873	20	30		DFEDHN
CC(C)(C#N)CCCCN[C@H]1CS(=O)(=O)Cc2ccccc21	ZINC000598643389	398845953	/nfs/dbraw/zinc/84/59/53/398845953.db2.gz	NVJMMLRYLFNVMF-INIZCTEOSA-N	0	3	320.458	2.966	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000594716141	398848149	/nfs/dbraw/zinc/84/81/49/398848149.db2.gz	JWXOIXKKFKNFRU-IBGZPJMESA-N	0	3	324.424	2.899	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2ccc(F)cc21	ZINC000598699915	398857553	/nfs/dbraw/zinc/85/75/53/398857553.db2.gz	JICYWVJHKCCZJN-ZFWWWQNUSA-N	0	3	306.381	2.930	20	30		DFEDHN
CC[C@H](C)Oc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccn1	ZINC000598725269	398862424	/nfs/dbraw/zinc/86/24/24/398862424.db2.gz	WUNFNFKHDXVVDN-ZFWWWQNUSA-N	0	3	305.422	2.649	20	30		DFEDHN
CO[C@H](CNC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598718215	398860556	/nfs/dbraw/zinc/86/05/56/398860556.db2.gz	CTEBLRFQBOGHGW-HUUCEWRRSA-N	0	3	310.825	2.918	20	30		DFEDHN
N#CC1(c2ccc(CNCCOC[C@@H]3CCCO3)cc2)CC1	ZINC000594925867	398873362	/nfs/dbraw/zinc/87/33/62/398873362.db2.gz	QSLPEYCICRYMTE-KRWDZBQOSA-N	0	3	300.402	2.527	20	30		DFEDHN
CN1CCC(N(C(=O)c2cc(C#N)ccn2)c2ccccc2)CC1	ZINC000598808005	398875958	/nfs/dbraw/zinc/87/59/58/398875958.db2.gz	PTQIVUJKUUIJGL-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
C=CCCSCCNCc1cn(C)nc1-c1cccnc1	ZINC000594960170	398881473	/nfs/dbraw/zinc/88/14/73/398881473.db2.gz	LWEZYAUHIGRMLY-UHFFFAOYSA-N	0	3	302.447	2.881	20	30		DFEDHN
C=CCCSCCNCc1ccc(S(C)(=O)=O)s1	ZINC000594968551	398883859	/nfs/dbraw/zinc/88/38/59/398883859.db2.gz	RXHMYIASTGPZKZ-UHFFFAOYSA-N	0	3	305.490	2.551	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1	ZINC000180841159	199217394	/nfs/dbraw/zinc/21/73/94/199217394.db2.gz	YRSBTOJGLZXEGK-MRXNPFEDSA-N	0	3	324.428	2.724	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C	ZINC000139622252	398884774	/nfs/dbraw/zinc/88/47/74/398884774.db2.gz	WDGXGPIPSNFEIS-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(C(F)(F)F)c1	ZINC000594988272	398887303	/nfs/dbraw/zinc/88/73/03/398887303.db2.gz	OPCGXBNQSOBBLA-KBPBESRZSA-N	0	3	310.319	2.970	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)c(F)c1	ZINC000180967698	199235080	/nfs/dbraw/zinc/23/50/80/199235080.db2.gz	GTBZTDLVIUJKQK-MRXNPFEDSA-N	0	3	303.381	2.611	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1ccc(C#N)cc1Br	ZINC000186747545	200003091	/nfs/dbraw/zinc/00/30/91/200003091.db2.gz	TVYSABXRKNHGGB-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000595258018	398913470	/nfs/dbraw/zinc/91/34/70/398913470.db2.gz	PVXCDHVUPBNOCK-NWANDNLSSA-N	0	3	305.809	2.723	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)CCSC)CC1	ZINC000077594109	398913037	/nfs/dbraw/zinc/91/30/37/398913037.db2.gz	IBQNVWMHUUZUCA-CQSZACIVSA-N	0	3	313.511	2.810	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)C1	ZINC000599071832	398916994	/nfs/dbraw/zinc/91/69/94/398916994.db2.gz	UKVGZGGDTNGXMS-UNEWFSDZSA-N	0	3	319.836	2.827	20	30		DFEDHN
N#Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1	ZINC000595290093	398916605	/nfs/dbraw/zinc/91/66/05/398916605.db2.gz	HRINCDDUTYLSRE-UHFFFAOYSA-N	0	3	305.425	2.919	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)CC2	ZINC000599077884	398918068	/nfs/dbraw/zinc/91/80/68/398918068.db2.gz	AFGLNEMNVQIBSU-LMMKCTJWSA-N	0	3	321.380	2.766	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC[C@@H](O)C1	ZINC000595296907	398918429	/nfs/dbraw/zinc/91/84/29/398918429.db2.gz	NQYWNUSCLQVQIF-ZWKOTPCHSA-N	0	3	302.418	2.558	20	30		DFEDHN
COc1ccc([C@H](CO)N(C)CCc2ccc(C#N)cc2)cc1	ZINC000595316932	398922049	/nfs/dbraw/zinc/92/20/49/398922049.db2.gz	BVIPJZSYROOHCG-IBGZPJMESA-N	0	3	310.397	2.775	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1	ZINC000055260703	398925438	/nfs/dbraw/zinc/92/54/38/398925438.db2.gz	PRSSTDPRNOFJLN-QGZVFWFLSA-N	0	3	313.445	2.735	20	30		DFEDHN
COc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1C#N	ZINC000189111241	200349843	/nfs/dbraw/zinc/34/98/43/200349843.db2.gz	PMIBCORXZOPOSZ-GOSISDBHSA-N	0	3	300.402	2.958	20	30		DFEDHN
CO[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)[C@H]1CCOC1	ZINC000595406215	398933354	/nfs/dbraw/zinc/93/33/54/398933354.db2.gz	AXASHRKXGBVCDL-RBUKOAKNSA-N	0	3	312.413	2.699	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCN1C1CCCC1)C2	ZINC000599204106	398939456	/nfs/dbraw/zinc/93/94/56/398939456.db2.gz	RKMXYXAZQRGPPF-SFHVURJKSA-N	0	3	324.428	2.600	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000595479063	398946917	/nfs/dbraw/zinc/94/69/17/398946917.db2.gz	JSQXQQGDUXMASW-GUDVDZBRSA-N	0	3	314.429	2.617	20	30		DFEDHN
Cc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1C#N	ZINC000599279177	398947497	/nfs/dbraw/zinc/94/74/97/398947497.db2.gz	MSUJUXWJBHYMAJ-QGZVFWFLSA-N	0	3	313.445	2.851	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@@](O)(C(F)(F)F)CC2)cc1	ZINC000595483354	398947669	/nfs/dbraw/zinc/94/76/69/398947669.db2.gz	LQXGKSPIMPUSNC-HNNXBMFYSA-N	0	3	312.335	2.880	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)o1	ZINC000599294276	398949078	/nfs/dbraw/zinc/94/90/78/398949078.db2.gz	DVWGLPKXAPUUMS-JKSUJKDBSA-N	0	3	318.417	2.796	20	30		DFEDHN
CC(C)(CO)[C@@H](NCCc1ccc(C#N)cc1)c1cccnc1	ZINC000595498063	398950339	/nfs/dbraw/zinc/95/03/39/398950339.db2.gz	APRNPQRRTOXOLB-SFHVURJKSA-N	0	3	309.413	2.845	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C)c(C#N)c1)CC2	ZINC000599300308	398950887	/nfs/dbraw/zinc/95/08/87/398950887.db2.gz	WJEHJLNGMOXESY-ZWKOTPCHSA-N	0	3	314.429	2.619	20	30		DFEDHN
CO[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000595500251	398951045	/nfs/dbraw/zinc/95/10/45/398951045.db2.gz	CTPUNNGCUYXKNE-SJORKVTESA-N	0	3	315.417	2.612	20	30		DFEDHN
CC[C@H](c1ccncc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599337961	398956434	/nfs/dbraw/zinc/95/64/34/398956434.db2.gz	NLEJFEJOFGKWOO-DLBZAZTESA-N	0	3	317.433	2.536	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F	ZINC000599347678	398957614	/nfs/dbraw/zinc/95/76/14/398957614.db2.gz	HVQASOVRMNHTTK-NEPJUHHUSA-N	0	3	310.344	2.993	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccc(C#N)c1	ZINC000599349739	398958510	/nfs/dbraw/zinc/95/85/10/398958510.db2.gz	RKXYYUUKHBTXOO-KDOFPFPSSA-N	0	3	321.380	2.520	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000599354268	398959749	/nfs/dbraw/zinc/95/97/49/398959749.db2.gz	OSLHSZWINBODFB-GDBMZVCRSA-N	0	3	320.408	2.856	20	30		DFEDHN
COc1cc(F)c([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1OC	ZINC000599355579	398961780	/nfs/dbraw/zinc/96/17/80/398961780.db2.gz	BMCSHHFEFRJYCP-RYUDHWBXSA-N	0	3	322.380	2.548	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595551440	398967200	/nfs/dbraw/zinc/96/72/00/398967200.db2.gz	LZHIWKWDHQJDGQ-HNNXBMFYSA-N	0	3	306.454	2.634	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000281442053	216303137	/nfs/dbraw/zinc/30/31/37/216303137.db2.gz	ZRTRTSWEJFXXIB-UHFFFAOYSA-N	0	3	324.384	2.501	20	30		DFEDHN
Cc1ncc(CNC2CCC(Oc3ncccc3C#N)CC2)o1	ZINC000600153146	398974180	/nfs/dbraw/zinc/97/41/80/398974180.db2.gz	CXJPNHKWSPBPBB-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
CC(C)(NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599425368	398977706	/nfs/dbraw/zinc/97/77/06/398977706.db2.gz	DFYOOKDEGBGUEB-AWEZNQCLSA-N	0	3	320.408	2.722	20	30		DFEDHN
Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(C#N)cc2)cc1	ZINC000193911963	201144057	/nfs/dbraw/zinc/14/40/57/201144057.db2.gz	TZUTWEGKRDVMLX-OAHLLOKOSA-N	0	3	307.397	2.947	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2cccs2)C2(CO)CCC2)CC1	ZINC000599435188	398980983	/nfs/dbraw/zinc/98/09/83/398980983.db2.gz	SLNMKDWKBLYRID-ZFWWWQNUSA-N	0	3	320.458	2.596	20	30		DFEDHN
CCOC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1c1cnn(C)c1	ZINC000595584943	398984885	/nfs/dbraw/zinc/98/48/85/398984885.db2.gz	LEFHKWXAZVZMSL-OALUTQOASA-N	0	3	324.428	2.544	20	30		DFEDHN
CCC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OCC	ZINC000600174317	398988687	/nfs/dbraw/zinc/98/86/87/398988687.db2.gz	LGNFJPPZSLJQCC-IRXDYDNUSA-N	0	3	313.401	2.562	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c(C)c1	ZINC000595610439	398997828	/nfs/dbraw/zinc/99/78/28/398997828.db2.gz	YPMZBFFOARLJDW-SJORKVTESA-N	0	3	302.418	2.669	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(Oc2cccc(F)c2)CC1	ZINC000599507670	398998727	/nfs/dbraw/zinc/99/87/27/398998727.db2.gz	OXRMVAJLQWBKIT-OAHLLOKOSA-N	0	3	320.408	2.970	20	30		DFEDHN
COC[C@H](NCc1ccc(C#N)cc1Cl)C1CCOCC1	ZINC000595614547	399000941	/nfs/dbraw/zinc/00/09/41/399000941.db2.gz	DMEKLDUYNHVKFA-INIZCTEOSA-N	0	3	308.809	2.743	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)cc(C(=O)OC)c2)C1	ZINC000599530347	399003670	/nfs/dbraw/zinc/00/36/70/399003670.db2.gz	UUODAKIBMPJFDV-CYBMUJFWSA-N	0	3	317.385	2.658	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CCCCC(=O)OC)C(C)C	ZINC000275559567	212413850	/nfs/dbraw/zinc/41/38/50/212413850.db2.gz	HJVSUTGCBDARDZ-MRXNPFEDSA-N	0	3	324.465	2.535	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2OC2CCC2)CC1	ZINC000605304783	399009093	/nfs/dbraw/zinc/00/90/93/399009093.db2.gz	PCXNSMDCHZBYOW-UHFFFAOYSA-N	0	3	314.429	2.998	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CCc2ccccc2C(C)(C)C1	ZINC000595631286	399010444	/nfs/dbraw/zinc/01/04/44/399010444.db2.gz	GNSXFNGMLWAOOQ-HNNXBMFYSA-N	0	3	313.445	2.583	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CCc2ccccc2C(C)(C)C1	ZINC000595631287	399010224	/nfs/dbraw/zinc/01/02/24/399010224.db2.gz	GNSXFNGMLWAOOQ-OAHLLOKOSA-N	0	3	313.445	2.583	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CCCC(F)(F)CC2)cc1	ZINC000599550807	399011681	/nfs/dbraw/zinc/01/16/81/399011681.db2.gz	BMCZTSWUWFHUHA-OAHLLOKOSA-N	0	3	324.371	2.614	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@H]2CC[C@@H](C1)S2	ZINC000599553682	399013204	/nfs/dbraw/zinc/01/32/04/399013204.db2.gz	YQEAMXGDMNOKEZ-CABCVRRESA-N	0	3	318.442	2.916	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCC2)CC1	ZINC000595642727	399016081	/nfs/dbraw/zinc/01/60/81/399016081.db2.gz	ROKWENYPIDDUHO-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#CC1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1	ZINC000595656136	399023249	/nfs/dbraw/zinc/02/32/49/399023249.db2.gz	OFSABKRDQVJFGG-HZPDHXFCSA-N	0	3	318.465	2.777	20	30		DFEDHN
COc1ccc(C(C)(C)NC[C@H](O)CC2(C#N)CC2)cc1F	ZINC000599598822	399026045	/nfs/dbraw/zinc/02/60/45/399026045.db2.gz	WZRNAFUWJIUYRQ-CYBMUJFWSA-N	0	3	306.381	2.714	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cccc(C#N)c1	ZINC000275339653	212278405	/nfs/dbraw/zinc/27/84/05/212278405.db2.gz	ROTPJPAMGQWDHV-WMZOPIPTSA-N	0	3	310.401	2.528	20	30		DFEDHN
C=C(C)COc1cc(CN(C)C[C@H](C)C(=O)OC)ccc1OC	ZINC000091987496	193136768	/nfs/dbraw/zinc/13/67/68/193136768.db2.gz	DCHYLVKWLIXYGR-AWEZNQCLSA-N	0	3	321.417	2.891	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@H](C)C(=O)OC)cc1OC	ZINC000091986228	193136884	/nfs/dbraw/zinc/13/68/84/193136884.db2.gz	DFOCEVGPPMXSGC-ZDUSSCGKSA-N	0	3	307.390	2.501	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000595693734	399037929	/nfs/dbraw/zinc/03/79/29/399037929.db2.gz	JERCYQLXOYEJAZ-SZMVWBNQSA-N	0	3	311.429	2.821	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NC3CC(C(F)F)C3)C2=O)cc1	ZINC000613621234	399041122	/nfs/dbraw/zinc/04/11/22/399041122.db2.gz	KAFVATVZXLWDND-SSDMNJCBSA-N	0	3	319.355	2.687	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000595723066	399054073	/nfs/dbraw/zinc/05/40/73/399054073.db2.gz	QCZNHRJNKSEZSK-MRXNPFEDSA-N	0	3	321.490	2.898	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1	ZINC000600469489	399059051	/nfs/dbraw/zinc/05/90/51/399059051.db2.gz	BNFPYUOEAQPVFE-RNCFNFMXSA-N	0	3	314.216	2.872	20	30		DFEDHN
C#CCCN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	ZINC000282461359	334996420	/nfs/dbraw/zinc/99/64/20/334996420.db2.gz	JUVJUBUPWYSGNV-UHFFFAOYSA-N	0	3	313.319	2.892	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]2C[C@H]2C1	ZINC000600489046	399062770	/nfs/dbraw/zinc/06/27/70/399062770.db2.gz	DNQFZOKXCMLDNT-MJQMVNBJSA-N	0	3	307.397	2.793	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]2C[C@H]2C1	ZINC000600489057	399062807	/nfs/dbraw/zinc/06/28/07/399062807.db2.gz	DNQFZOKXCMLDNT-NTDBWNAOSA-N	0	3	307.397	2.793	20	30		DFEDHN
C/C=C/C[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000599690272	399066193	/nfs/dbraw/zinc/06/61/93/399066193.db2.gz	MRVRTBUOIBBPFE-DCKQQPRJSA-N	0	3	311.429	2.853	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CNC2(c3cccc(C#N)c3)CC2)c1	ZINC000271777039	209206857	/nfs/dbraw/zinc/20/68/57/209206857.db2.gz	KXGQBOCROVMDDD-SFHVURJKSA-N	0	3	322.408	2.885	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000271762774	209192247	/nfs/dbraw/zinc/19/22/47/209192247.db2.gz	MOTBWVIJUAZHRE-OCCSQVGLSA-N	0	3	309.406	2.690	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H](C)N(CCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000599709181	399072526	/nfs/dbraw/zinc/07/25/26/399072526.db2.gz	PYTAQTXPQXTFTK-MIFYACCESA-N	0	3	316.401	2.599	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@@H]2NCc2cc(C#N)ccc2F)cn1	ZINC000595768026	399076787	/nfs/dbraw/zinc/07/67/87/399076787.db2.gz	FCHTXQZBIIZAES-QAPCUYQASA-N	0	3	312.392	2.932	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COCc2ccc(C)cc2)CC1	ZINC000621858738	399096257	/nfs/dbraw/zinc/09/62/57/399096257.db2.gz	BJKCLFDXXYYIHQ-UHFFFAOYSA-N	0	3	316.445	2.668	20	30		DFEDHN
C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)CC1	ZINC000595820692	399098100	/nfs/dbraw/zinc/09/81/00/399098100.db2.gz	UYYGCYOOKIQKSX-SXSDBLRQSA-N	0	3	303.381	2.591	20	30		DFEDHN
CC(C)[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1	ZINC000600719805	399123156	/nfs/dbraw/zinc/12/31/56/399123156.db2.gz	WQJXKXFPBWBPFP-XJKSGUPXSA-N	0	3	312.417	2.904	20	30		DFEDHN
C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)o1	ZINC000600717578	399123217	/nfs/dbraw/zinc/12/32/17/399123217.db2.gz	RAPPBTCHZXUUQE-FMKPAKJESA-N	0	3	318.417	2.564	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(OC(F)(F)F)cc2)CC1	ZINC000600718497	399123348	/nfs/dbraw/zinc/12/33/48/399123348.db2.gz	QRXGDFALDCJFJF-GFCCVEGCSA-N	0	3	314.307	2.730	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCOc3c(Cl)cccc32)CC1	ZINC000600719842	399122901	/nfs/dbraw/zinc/12/29/01/399122901.db2.gz	KXEYUPUNUVXWIR-FZMZJTMJSA-N	0	3	306.793	2.808	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(OCCCOC)CC1	ZINC000093561503	193268644	/nfs/dbraw/zinc/26/86/44/193268644.db2.gz	PWPGSYHSSLQJLD-UHFFFAOYSA-N	0	3	317.429	2.716	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccc(Br)cc2)CC1	ZINC000600722094	399124448	/nfs/dbraw/zinc/12/44/48/399124448.db2.gz	XOHHRCSDTOPPOZ-CYBMUJFWSA-N	0	3	309.207	2.593	20	30		DFEDHN
CN(CCC(=O)Nc1sccc1C#N)CC1=CCSC1	ZINC000595890196	399125794	/nfs/dbraw/zinc/12/57/94/399125794.db2.gz	ZQJHIFZFSMOCKD-UHFFFAOYSA-N	0	3	307.444	2.553	20	30		DFEDHN
CC1(C)C[C@@H](NC[C@H](O)CC2(C#N)CC2)c2ccccc2O1	ZINC000600729125	399127921	/nfs/dbraw/zinc/12/79/21/399127921.db2.gz	DIZNFIDCNSFTND-UKRRQHHQSA-N	0	3	300.402	2.933	20	30		DFEDHN
C[C@]1(F)CNCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000595895592	399126838	/nfs/dbraw/zinc/12/68/38/399126838.db2.gz	PSRKQQPJIUUYBJ-AWEZNQCLSA-N	0	3	315.314	2.710	20	30		DFEDHN
CC(C)Oc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1	ZINC000179533198	399129659	/nfs/dbraw/zinc/12/96/59/399129659.db2.gz	FIKSGBSYYHPLEJ-HNNXBMFYSA-N	0	3	317.433	2.887	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCCc3c(F)cc(F)cc32)CC1	ZINC000600736932	399129772	/nfs/dbraw/zinc/12/97/72/399129772.db2.gz	BMFRRCLEKRYVOZ-LRDDRELGSA-N	0	3	306.356	2.987	20	30		DFEDHN
C=CCC[C@H](N[C@H](C)C(=O)NC(=O)NCC)c1ccccc1	ZINC000180041516	399131788	/nfs/dbraw/zinc/13/17/88/399131788.db2.gz	RSTBHWOQTAQFRU-HIFRSBDPSA-N	0	3	303.406	2.518	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCC23CC3)c1	ZINC000600761434	399138608	/nfs/dbraw/zinc/13/86/08/399138608.db2.gz	PSCHMDKOIYBNJX-OAHLLOKOSA-N	0	3	318.442	2.502	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC23CC3)cc1	ZINC000600762757	399138656	/nfs/dbraw/zinc/13/86/56/399138656.db2.gz	WOOQGXVUFDNSKQ-HNNXBMFYSA-N	0	3	318.442	2.502	20	30		DFEDHN
N#C[C@]1(C(=O)NCc2ccc(-c3cccs3)cc2)CCNC1	ZINC000595962318	399141666	/nfs/dbraw/zinc/14/16/66/399141666.db2.gz	ZRLGSTQCQCYLJK-QGZVFWFLSA-N	0	3	311.410	2.535	20	30		DFEDHN
CC#CCN[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000181634538	399140985	/nfs/dbraw/zinc/14/09/85/399140985.db2.gz	SZAXAOXWYHUKJU-OAHLLOKOSA-N	0	3	303.425	2.642	20	30		DFEDHN
C=CCOCCCNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000618515806	399141942	/nfs/dbraw/zinc/14/19/42/399141942.db2.gz	GYBQXADWCYYVTA-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@H](F)[C@H](N)C1	ZINC000596030094	399152005	/nfs/dbraw/zinc/15/20/05/399152005.db2.gz	IVUWXMASBIGRRU-CHWSQXEVSA-N	0	3	304.756	2.635	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCC23CC3)cc1	ZINC000600805434	399152621	/nfs/dbraw/zinc/15/26/21/399152621.db2.gz	RTNPSRGULMNQSD-SJORKVTESA-N	0	3	307.397	2.937	20	30		DFEDHN
C#CCCOc1ccc(CNCc2ccc(N(C)C)nc2)cc1	ZINC000264985459	204324234	/nfs/dbraw/zinc/32/42/34/204324234.db2.gz	VOFTZKOPKCQXPC-UHFFFAOYSA-N	0	3	309.413	2.840	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000265023439	204350803	/nfs/dbraw/zinc/35/08/03/204350803.db2.gz	YRVWBEVRFOZOSG-LSDHHAIUSA-N	0	3	300.402	2.560	20	30		DFEDHN
COC(=O)[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614166420	399168239	/nfs/dbraw/zinc/16/82/39/399168239.db2.gz	HJCXPSGNAWKAMH-HNNXBMFYSA-N	0	3	300.402	2.873	20	30		DFEDHN
COc1cc(CN2CC[C@H](CNc3ccccn3)C2)ccc1C#N	ZINC000282510684	217051606	/nfs/dbraw/zinc/05/16/06/217051606.db2.gz	YWAWKCONQZAJQG-MRXNPFEDSA-N	0	3	322.412	2.896	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccccc1CC#N)c1ccccc1	ZINC000600923768	399177358	/nfs/dbraw/zinc/17/73/58/399177358.db2.gz	XCVYEWFFZBBEFD-SFHVURJKSA-N	0	3	307.397	2.785	20	30		DFEDHN
Cc1ccc(C#N)nc1NCCc1ccc(OCCN(C)C)cc1	ZINC000596112573	399178201	/nfs/dbraw/zinc/17/82/01/399178201.db2.gz	AVRJWWMOBPVCID-UHFFFAOYSA-N	0	3	324.428	2.857	20	30		DFEDHN
N#Cc1cccc(OCCN2CCOCC3(CCCC3)C2)c1	ZINC000614222945	399179723	/nfs/dbraw/zinc/17/97/23/399179723.db2.gz	UBLSFAGIKJNXJY-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596130389	399183515	/nfs/dbraw/zinc/18/35/15/399183515.db2.gz	DCIJUIZZDUWGQD-XJKSGUPXSA-N	0	3	307.401	2.564	20	30		DFEDHN
C=CCSCCNC(=O)N1CCN(CCC(C)(C)C)CC1	ZINC000195730012	399188811	/nfs/dbraw/zinc/18/88/11/399188811.db2.gz	HZIYFZLAOWHWHC-UHFFFAOYSA-N	0	3	313.511	2.669	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1cc(C#N)cnn1	ZINC000596145875	399189825	/nfs/dbraw/zinc/18/98/25/399189825.db2.gz	ZCFDYOXBPRHQPA-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596154826	399194640	/nfs/dbraw/zinc/19/46/40/399194640.db2.gz	DGUXSQDKXRHGHR-BXUZGUMPSA-N	0	3	300.362	2.812	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCC34CCC4)C2=O)cc1	ZINC000282864781	217286171	/nfs/dbraw/zinc/28/61/71/217286171.db2.gz	UWTXXUACGFWDGL-DLBZAZTESA-N	0	3	309.413	2.581	20	30		DFEDHN
CCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCN(CC)C1	ZINC000596165556	399199002	/nfs/dbraw/zinc/19/90/02/399199002.db2.gz	UHZLQFNXEWWDPL-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@H](CNCc1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C	ZINC000282867593	217288617	/nfs/dbraw/zinc/28/86/17/217288617.db2.gz	QUUIHTXTRKYFPP-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2ccccc2CC#N)c1	ZINC000601023730	399205625	/nfs/dbraw/zinc/20/56/25/399205625.db2.gz	LWOAXFQWPOEWRF-UHFFFAOYSA-N	0	3	323.396	2.945	20	30		DFEDHN
Cc1nc(C)n(C[C@H]2CCCN(CC#Cc3ccccc3)C2)n1	ZINC000192007356	335022340	/nfs/dbraw/zinc/02/23/40/335022340.db2.gz	BXXMLEFIWUEPID-IBGZPJMESA-N	0	3	308.429	2.659	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3sccc3[nH]2)CC1	ZINC000192070628	335023104	/nfs/dbraw/zinc/02/31/04/335023104.db2.gz	RCWSRTUMDANYRU-UHFFFAOYSA-N	0	3	303.431	3.000	20	30		DFEDHN
CCN(CC)C(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1	ZINC000614396876	399224267	/nfs/dbraw/zinc/22/42/67/399224267.db2.gz	WGXGTZCLRVCKSB-UHFFFAOYSA-N	0	3	313.445	2.947	20	30		DFEDHN
N#Cc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)cn1	ZINC000267349082	206002206	/nfs/dbraw/zinc/00/22/06/206002206.db2.gz	GCGDPNVCEIVDQG-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
N#Cc1ccnc(N2CCN([C@H]3CCc4ccccc43)CC2)c1	ZINC000614476244	399237723	/nfs/dbraw/zinc/23/77/23/399237723.db2.gz	BCRHHTAXJYIWPG-SFHVURJKSA-N	0	3	304.397	2.763	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000267491104	206103044	/nfs/dbraw/zinc/10/30/44/206103044.db2.gz	GCIHJZDIOKZGQB-FUHWJXTLSA-N	0	3	313.445	2.704	20	30		DFEDHN
C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)c(F)c1	ZINC000601152850	399242631	/nfs/dbraw/zinc/24/26/31/399242631.db2.gz	HNLZCCJXZIHRRS-GOSISDBHSA-N	0	3	316.351	2.920	20	30		DFEDHN
COc1ccccc1C[C@@](C)(CO)NCc1ccc(C#N)s1	ZINC000601154032	399243414	/nfs/dbraw/zinc/24/34/14/399243414.db2.gz	WZFRIBKVBITVHP-KRWDZBQOSA-N	0	3	316.426	2.712	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC2(CC2)C1	ZINC000601179344	399249328	/nfs/dbraw/zinc/24/93/28/399249328.db2.gz	QWLBENGYBSSODJ-KRWDZBQOSA-N	0	3	323.440	2.851	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1	ZINC000192177912	335027118	/nfs/dbraw/zinc/02/71/18/335027118.db2.gz	COZVKVVEXDCABC-QGZVFWFLSA-N	0	3	314.429	2.931	20	30		DFEDHN
C=CCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000285838880	335029930	/nfs/dbraw/zinc/02/99/30/335029930.db2.gz	APENIHMJANKFLI-OAHLLOKOSA-N	0	3	308.372	2.788	20	30		DFEDHN
COC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCO1	ZINC000618992047	399272604	/nfs/dbraw/zinc/27/26/04/399272604.db2.gz	CQDGWVNYERIIBW-OKZBNKHCSA-N	0	3	300.402	2.719	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccnc(N3CCSCC3)c2)C1	ZINC000601302040	399273327	/nfs/dbraw/zinc/27/33/27/399273327.db2.gz	DCGUGEYQVZVHSO-HOCLYGCPSA-N	0	3	316.474	2.807	20	30		DFEDHN
C=CCC1(C(=O)N[C@H](C)CN2CCC(C)CC2)CCOCC1	ZINC000618994732	399274482	/nfs/dbraw/zinc/27/44/82/399274482.db2.gz	BBJUHJUYZFUEBQ-MRXNPFEDSA-N	0	3	308.466	2.596	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601382683	399284348	/nfs/dbraw/zinc/28/43/48/399284348.db2.gz	FSTKWLABSGFTJB-RBUKOAKNSA-N	0	3	319.408	2.928	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601382682	399284601	/nfs/dbraw/zinc/28/46/01/399284601.db2.gz	FSTKWLABSGFTJB-OALUTQOASA-N	0	3	319.408	2.928	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1	ZINC000619297700	399326319	/nfs/dbraw/zinc/32/63/19/399326319.db2.gz	DLKKATMETINEIP-RDTXWAMCSA-N	0	3	318.380	2.555	20	30		DFEDHN
CCn1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000619310879	399327594	/nfs/dbraw/zinc/32/75/94/399327594.db2.gz	MQHYLZZIIDRNCO-GOSISDBHSA-N	0	3	320.396	2.721	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000609920177	399336529	/nfs/dbraw/zinc/33/65/29/399336529.db2.gz	QSHZZHITIQQESE-ZIAGYGMSSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)c1cc2ccccc2n1CC#N	ZINC000609877819	399334896	/nfs/dbraw/zinc/33/48/96/399334896.db2.gz	PLNAERCPZYXMTJ-INIZCTEOSA-N	0	3	324.428	2.769	20	30		DFEDHN
CCCn1c2ccccc2nc1CNC1CCN(CC#N)CC1	ZINC000610007932	399338704	/nfs/dbraw/zinc/33/87/04/399338704.db2.gz	OLHIXPCPPJXESA-UHFFFAOYSA-N	0	3	311.433	2.524	20	30		DFEDHN
CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1	ZINC000619435663	399345724	/nfs/dbraw/zinc/34/57/24/399345724.db2.gz	XSWZETRMWNSVKE-QGZVFWFLSA-N	0	3	311.429	2.702	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NCCOC[C@H]1CCOC1	ZINC000619508297	399355254	/nfs/dbraw/zinc/35/52/54/399355254.db2.gz	ROLISFXWKNHQFX-QFBILLFUSA-N	0	3	314.429	2.968	20	30		DFEDHN
CC(=O)Nc1cccc(OCCNCc2cccc(C#N)c2)c1	ZINC000105431956	194104282	/nfs/dbraw/zinc/10/42/82/194104282.db2.gz	BQIVPTQODJLHPJ-UHFFFAOYSA-N	0	3	309.369	2.685	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN[C@H]2CCc3ccccc32)cc1	ZINC000619558354	399362223	/nfs/dbraw/zinc/36/22/23/399362223.db2.gz	HQAURRSBMCHMEF-XLIONFOSSA-N	0	3	322.408	2.769	20	30		DFEDHN
CCc1nc2ccccc2c(NC2CCN(CC#N)CC2)c1C	ZINC000619586997	399364950	/nfs/dbraw/zinc/36/49/50/399364950.db2.gz	WLFVHJPAOQAUIP-UHFFFAOYSA-N	0	3	308.429	2.927	20	30		DFEDHN
C=CCCOCC(=O)N(c1ccccc1)C1CCN(C)CC1	ZINC000601955260	399368726	/nfs/dbraw/zinc/36/87/26/399368726.db2.gz	GZTPPFLSDGILLD-UHFFFAOYSA-N	0	3	302.418	2.707	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000601970077	399371325	/nfs/dbraw/zinc/37/13/25/399371325.db2.gz	XCZRLPYXRMKYOM-MAZHCROVSA-N	0	3	324.371	2.685	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285000695	218252146	/nfs/dbraw/zinc/25/21/46/218252146.db2.gz	IAXVDTNUWGWZBB-MRXNPFEDSA-N	0	3	317.408	2.575	20	30		DFEDHN
COc1ccccc1[C@@H](CNc1cnc(C#N)cn1)N1CCCC1	ZINC000106462524	194217834	/nfs/dbraw/zinc/21/78/34/194217834.db2.gz	BJQYHVLCRKGBKG-MRXNPFEDSA-N	0	3	323.400	2.606	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2)[C@]12CCCO2	ZINC000273767229	211039911	/nfs/dbraw/zinc/03/99/11/211039911.db2.gz	YZWVWDMPVJKSAR-VIBAHUMZSA-N	0	3	300.402	2.935	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NCc1cccc(F)c1C#N	ZINC000602008064	399382491	/nfs/dbraw/zinc/38/24/91/399382491.db2.gz	PVAVQNRCIRFHNN-QGZVFWFLSA-N	0	3	311.404	2.960	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NCc1cccc(F)c1C#N	ZINC000602008063	399382512	/nfs/dbraw/zinc/38/25/12/399382512.db2.gz	PVAVQNRCIRFHNN-KRWDZBQOSA-N	0	3	311.404	2.960	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000268509993	206764791	/nfs/dbraw/zinc/76/47/91/206764791.db2.gz	BVQGOVKSCRILMW-MRXNPFEDSA-N	0	3	318.417	2.520	20	30		DFEDHN
N#CCN1CCC(NCc2cnc(-c3cccs3)s2)CC1	ZINC000610583381	399384010	/nfs/dbraw/zinc/38/40/10/399384010.db2.gz	PXWLOLLCEJHYLG-UHFFFAOYSA-N	0	3	318.471	2.949	20	30		DFEDHN
N#CCC[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccccc1	ZINC000602012343	399383786	/nfs/dbraw/zinc/38/37/86/399383786.db2.gz	OOHHSQBMLIUPQL-HOTGVXAUSA-N	0	3	306.431	2.588	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1	ZINC000615807119	399384777	/nfs/dbraw/zinc/38/47/77/399384777.db2.gz	HQLONADWIIVVEG-UAGQMJEPSA-N	0	3	311.429	2.574	20	30		DFEDHN
N#Cc1csc(CNCCn2ccc(C(F)(F)F)n2)c1	ZINC000602016835	399385453	/nfs/dbraw/zinc/38/54/53/399385453.db2.gz	IDANZZRDNDNZDF-UHFFFAOYSA-N	0	3	300.309	2.625	20	30		DFEDHN
N#Cc1ccc(CNCCn2ccc(C(F)(F)F)n2)cc1F	ZINC000602017637	399385508	/nfs/dbraw/zinc/38/55/08/399385508.db2.gz	QBUWZKRTUNIWEI-UHFFFAOYSA-N	0	3	312.270	2.702	20	30		DFEDHN
C=CCOCCN[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21	ZINC000619822853	399394244	/nfs/dbraw/zinc/39/42/44/399394244.db2.gz	SHWSXSISNGVJJZ-IAGOWNOFSA-N	0	3	303.402	2.960	20	30		DFEDHN
CN(CC(=O)N[C@H](C#N)c1ccc(Cl)cc1)CC(C)(C)C	ZINC000602095840	399394418	/nfs/dbraw/zinc/39/44/18/399394418.db2.gz	GHUGYAQCYORTHT-CQSZACIVSA-N	0	3	307.825	2.999	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H](C)CC(=O)N(CC)CC	ZINC000268872453	207041212	/nfs/dbraw/zinc/04/12/12/207041212.db2.gz	GKQREXWYIKJXRH-HNNXBMFYSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC=C(c3ccco3)C2)CC1	ZINC000287555460	335044703	/nfs/dbraw/zinc/04/47/03/335044703.db2.gz	VYFKENYFGSTVPI-UHFFFAOYSA-N	0	3	315.417	2.729	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@H](n3ccnc3)C2)c1	ZINC000610786261	399406126	/nfs/dbraw/zinc/40/61/26/399406126.db2.gz	FMSGAWRZSVUVGC-KRWDZBQOSA-N	0	3	310.401	2.861	20	30		DFEDHN
CCn1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cn1	ZINC000112099268	194432419	/nfs/dbraw/zinc/43/24/19/194432419.db2.gz	HDHAMAGZHWLRPD-KRWDZBQOSA-N	0	3	309.417	2.533	20	30		DFEDHN
N#CCN1CCC(N[C@H]2CCSc3ccc(F)cc32)CC1	ZINC000610813090	399408703	/nfs/dbraw/zinc/40/87/03/399408703.db2.gz	ZCPRTBIJMOKLOJ-HNNXBMFYSA-N	0	3	305.422	2.940	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CCOC(C)(C)C	ZINC000610859720	399413201	/nfs/dbraw/zinc/41/32/01/399413201.db2.gz	JVIIAGYUGPXEFD-UHFFFAOYSA-N	0	3	306.406	2.693	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@H]2C[C@@](C)(O)C2)cc1OC	ZINC000623551772	399414753	/nfs/dbraw/zinc/41/47/53/399414753.db2.gz	HIZVCZYBCLVYCU-DRQUAOQDSA-N	0	3	311.809	2.916	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)c(F)c1	ZINC000610967263	399422443	/nfs/dbraw/zinc/42/24/43/399422443.db2.gz	IXCGKJBMLQQACJ-QGZVFWFLSA-N	0	3	315.392	2.721	20	30		DFEDHN
Cc1cnc(CN(C)[C@@H]2CCN(CC(C)(C)CCC#N)C2)o1	ZINC000610939205	399419757	/nfs/dbraw/zinc/41/97/57/399419757.db2.gz	YCUVQZIPCLSSCF-OAHLLOKOSA-N	0	3	304.438	2.819	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N[C@H]2CCCN(C)C2)cc1C#N	ZINC000610936729	399419866	/nfs/dbraw/zinc/41/98/66/399419866.db2.gz	ICNKODPLYNFRAY-HNNXBMFYSA-N	0	3	316.405	2.561	20	30		DFEDHN
COc1cc2c(cc1OC)CCN(Cc1ccnc(C#N)c1)CC2	ZINC000610991397	399425055	/nfs/dbraw/zinc/42/50/55/399425055.db2.gz	HZYUOOFLUAJADU-UHFFFAOYSA-N	0	3	323.396	2.571	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccccc1C#N	ZINC000611120875	399435976	/nfs/dbraw/zinc/43/59/76/399435976.db2.gz	DLRHYWKSXFRIJW-MAUKXSAKSA-N	0	3	313.445	2.931	20	30		DFEDHN
N#Cc1cc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)ccn1	ZINC000611109656	399434545	/nfs/dbraw/zinc/43/45/45/399434545.db2.gz	FUPCSZPBJVVZBT-IBGZPJMESA-N	0	3	307.397	2.726	20	30		DFEDHN
COc1ccc(CN(C)CCCOc2cccc(C#N)c2)cn1	ZINC000611209097	399446030	/nfs/dbraw/zinc/44/60/30/399446030.db2.gz	FDOVIXZAWYDRSN-UHFFFAOYSA-N	0	3	311.385	2.863	20	30		DFEDHN
C[C@H](CCC#N)CN1CCCN(C(=O)c2ccsc2)CC1	ZINC000602448523	399446743	/nfs/dbraw/zinc/44/67/43/399446743.db2.gz	LDHREQGGSWIMHL-CQSZACIVSA-N	0	3	305.447	2.836	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](N)CCC(C)C	ZINC000602450731	399447945	/nfs/dbraw/zinc/44/79/45/399447945.db2.gz	VLUBVBLRHCQQTG-MRXNPFEDSA-N	0	3	319.405	2.873	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)cc1OC)CC1CC1	ZINC000611235483	399448844	/nfs/dbraw/zinc/44/88/44/399448844.db2.gz	HOLYQNMDESYZHA-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
C[C@@H](CCC#N)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000602453919	399448859	/nfs/dbraw/zinc/44/88/59/399448859.db2.gz	KQKFTXGNLLYTEE-XJKSGUPXSA-N	0	3	318.396	2.961	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(c2ncnc3ccsc32)CC1	ZINC000602466877	399452369	/nfs/dbraw/zinc/45/23/69/399452369.db2.gz	FQQVEBOOXVPQOF-ZDUSSCGKSA-N	0	3	315.446	2.753	20	30		DFEDHN
CCN1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000611271149	399454461	/nfs/dbraw/zinc/45/44/61/399454461.db2.gz	NXNGZHNGRIOIBH-MRXNPFEDSA-N	0	3	301.434	2.895	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1ccccc1F	ZINC000602513163	399464618	/nfs/dbraw/zinc/46/46/18/399464618.db2.gz	ZVNGPWHNYAZNCA-CQSZACIVSA-N	0	3	306.381	2.893	20	30		DFEDHN
CC[C@H](CNCc1cccc(C#N)n1)N1CCc2ccccc2C1	ZINC000602511545	399464745	/nfs/dbraw/zinc/46/47/45/399464745.db2.gz	NYFUGRZBZWCCFS-HXUWFJFHSA-N	0	3	320.440	2.880	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000602519861	399467144	/nfs/dbraw/zinc/46/71/44/399467144.db2.gz	BVVDTVKKCSTZGS-OAHLLOKOSA-N	0	3	301.390	2.616	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000287738385	335046818	/nfs/dbraw/zinc/04/68/18/335046818.db2.gz	ONLZGRJMMXQZRO-UHFFFAOYSA-N	0	3	310.441	2.760	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCCOc1cccc(F)c1	ZINC000602520043	399467226	/nfs/dbraw/zinc/46/72/26/399467226.db2.gz	GJNOCPQKDHFEJP-AWEZNQCLSA-N	0	3	306.381	2.893	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@H](NCc1cccc(C#N)n1)C2	ZINC000602527393	399467939	/nfs/dbraw/zinc/46/79/39/399467939.db2.gz	QGXDWNFDVFFGOE-HNNXBMFYSA-N	0	3	309.417	2.552	20	30		DFEDHN
C[C@H](NC[C@@H](O)COCc1cccs1)c1cccc(C#N)c1	ZINC000611389041	399468534	/nfs/dbraw/zinc/46/85/34/399468534.db2.gz	PMCLBGBNTKSOBQ-XJKSGUPXSA-N	0	3	316.426	2.848	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccccc1F)c1cccc(C#N)c1	ZINC000611386291	399469036	/nfs/dbraw/zinc/46/90/36/399469036.db2.gz	KONQVVLDZYSPFV-CJNGLKHVSA-N	0	3	314.360	2.788	20	30		DFEDHN
COc1cccc(CN(CC(C)C)C(=O)[C@H](N)CCCC#N)c1	ZINC000602532529	399469232	/nfs/dbraw/zinc/46/92/32/399469232.db2.gz	VIAYWBHWVFQRNR-QGZVFWFLSA-N	0	3	317.433	2.701	20	30		DFEDHN
COc1nc(C)cc(C)c1CN[C@H](C)CC1(C#N)CCOCC1	ZINC000602535447	399470217	/nfs/dbraw/zinc/47/02/17/399470217.db2.gz	ZJQJDKLTBXVSIA-OAHLLOKOSA-N	0	3	317.433	2.896	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H](CC1CC1)c1ccccc1)C1CC1	ZINC000611395453	399470406	/nfs/dbraw/zinc/47/04/06/399470406.db2.gz	BRBHXHUFYOZXGD-IEBWSBKVSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@H](NCc1ccnc(C#N)c1)c1cccc(-n2cccn2)c1	ZINC000611395568	399470468	/nfs/dbraw/zinc/47/04/68/399470468.db2.gz	OWYKDUKTRSOGNL-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCCc3cccc(CN)c32)c1	ZINC000602540385	399470659	/nfs/dbraw/zinc/47/06/59/399470659.db2.gz	NODLZSQITUSISC-UHFFFAOYSA-N	0	3	305.381	2.804	20	30		DFEDHN
C=C[C@@H](O)C(=O)Nc1ccc(SCCN2CCCCC2)cc1	ZINC000616475917	399472571	/nfs/dbraw/zinc/47/25/71/399472571.db2.gz	CMWYJYXKSLVFJN-MRXNPFEDSA-N	0	3	320.458	2.750	20	30		DFEDHN
COc1cccc([C@H](CNc2nc(C#N)ccc2C)N(C)C)c1	ZINC000611398979	399471223	/nfs/dbraw/zinc/47/12/23/399471223.db2.gz	FGGBZIBGGGPKQO-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000611405197	399471541	/nfs/dbraw/zinc/47/15/41/399471541.db2.gz	KCXXUFHEGBOUBC-HZPDHXFCSA-N	0	3	305.418	2.844	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(C#N)c1	ZINC000611438614	399477011	/nfs/dbraw/zinc/47/70/11/399477011.db2.gz	JLNGJCSHGRTXGY-KBXCAEBGSA-N	0	3	311.429	3.000	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCCOc1ccc(Cl)cn1	ZINC000602569768	399478704	/nfs/dbraw/zinc/47/87/04/399478704.db2.gz	SCGYDRHWRKOEEH-CYBMUJFWSA-N	0	3	323.824	2.802	20	30		DFEDHN
N#CC1(CC(=O)N2CCOc3ccc(CN)cc32)CCCCC1	ZINC000602575113	399480124	/nfs/dbraw/zinc/48/01/24/399480124.db2.gz	BMVKNTCCSQSNTK-UHFFFAOYSA-N	0	3	313.401	2.735	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)NC1CCC(C#N)CC1	ZINC000602583144	399483020	/nfs/dbraw/zinc/48/30/20/399483020.db2.gz	QQJOFFIQSKAFOQ-HWOWSKLDSA-N	0	3	320.458	2.911	20	30		DFEDHN
CN(C(=O)[C@H](N)CCCC#N)[C@@H](CCc1ccccc1)C(F)F	ZINC000602582594	399482232	/nfs/dbraw/zinc/48/22/32/399482232.db2.gz	NZTSQVWIUQZTKM-CABCVRRESA-N	0	3	323.387	2.732	20	30		DFEDHN
C=CCOCCNCc1ccc(I)s1	ZINC000602609882	399489593	/nfs/dbraw/zinc/48/95/93/399489593.db2.gz	YEQMTXOJKJZUNS-UHFFFAOYSA-N	0	3	323.199	2.645	20	30		DFEDHN
CCO[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000611517664	399486254	/nfs/dbraw/zinc/48/62/54/399486254.db2.gz	BVGUHJSBNOTMPZ-GOSISDBHSA-N	0	3	324.428	2.960	20	30		DFEDHN
Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@@H](N)CCCC#N)c1	ZINC000602600742	399487521	/nfs/dbraw/zinc/48/75/21/399487521.db2.gz	JADAZMRVKNNSCD-HKUYNNGSSA-N	0	3	313.445	2.940	20	30		DFEDHN
CCOC(=O)[C@@](C)(CNCc1cccc(C#N)n1)c1ccccc1	ZINC000602629666	399496510	/nfs/dbraw/zinc/49/65/10/399496510.db2.gz	IIRCWRIUMUXULA-IBGZPJMESA-N	0	3	323.396	2.564	20	30		DFEDHN
C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(C#N)cc1F	ZINC000611586738	399496874	/nfs/dbraw/zinc/49/68/74/399496874.db2.gz	ZVAIWMIWPYOTLF-GFCCVEGCSA-N	0	3	315.392	2.749	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1	ZINC000602660091	399507135	/nfs/dbraw/zinc/50/71/35/399507135.db2.gz	YFGVLPNIZDRCKJ-UHFFFAOYSA-N	0	3	323.440	2.614	20	30		DFEDHN
N#Cc1cccc(CN2CCCN3c4ccccc4C[C@H]3C2)n1	ZINC000602671182	399513935	/nfs/dbraw/zinc/51/39/35/399513935.db2.gz	RVZSHMWWUVEGTH-SFHVURJKSA-N	0	3	304.397	2.590	20	30		DFEDHN
Cn1ccnc1CC1CCN(Cc2ccc(F)c(C#N)c2)CC1	ZINC000120105944	195097818	/nfs/dbraw/zinc/09/78/18/195097818.db2.gz	YGJWKPOWYHQJFT-UHFFFAOYSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=CCN1CCC(NC(=O)CC2CCC(F)(F)CC2)CC1	ZINC000625321770	399520663	/nfs/dbraw/zinc/52/06/63/399520663.db2.gz	PMVKSXWCOPYGBT-UHFFFAOYSA-N	0	3	300.393	2.969	20	30		DFEDHN
Cc1ncccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000611767304	399522312	/nfs/dbraw/zinc/52/23/12/399522312.db2.gz	ZHBFVUFVENYBTM-UHFFFAOYSA-N	0	3	317.396	2.952	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CCCN(C(C)C)CC1)c1ccccc1	ZINC000270171796	208235818	/nfs/dbraw/zinc/23/58/18/208235818.db2.gz	BSQZEZXANKQGQP-GOSISDBHSA-N	0	3	313.445	2.877	20	30		DFEDHN
CC(C)(C)OC(=O)C1(CNCc2cccc(C#N)n2)CCC1	ZINC000602720774	399538835	/nfs/dbraw/zinc/53/88/35/399538835.db2.gz	DDTMXCYXHWMWKF-UHFFFAOYSA-N	0	3	301.390	2.555	20	30		DFEDHN
Cc1cccc2c1C[C@@H](N[C@H](C)CC1(C#N)CCOCC1)CO2	ZINC000602720708	399538857	/nfs/dbraw/zinc/53/88/57/399538857.db2.gz	MBEQGCKTFTVXDV-HZPDHXFCSA-N	0	3	314.429	2.987	20	30		DFEDHN
C[C@@H](N1CCc2c(CC#N)cccc2C1)C(C)(C)n1cncn1	ZINC000602729424	399544197	/nfs/dbraw/zinc/54/41/97/399544197.db2.gz	KWTCLVACERUPTH-CQSZACIVSA-N	0	3	309.417	2.526	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2cc(C)n[nH]2)CC1	ZINC000272924759	210310791	/nfs/dbraw/zinc/31/07/91/210310791.db2.gz	JHOFBLKOIYSIJB-OAHLLOKOSA-N	0	3	318.465	2.711	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1	ZINC000602764404	399561462	/nfs/dbraw/zinc/56/14/62/399561462.db2.gz	BJYUPIFHPNNPCX-UHFFFAOYSA-N	0	3	315.392	2.714	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCN(c3ccncc3)CC2)c1C#N	ZINC000612067589	399570234	/nfs/dbraw/zinc/57/02/34/399570234.db2.gz	LUGMIKJRXNNEDY-UHFFFAOYSA-N	0	3	313.792	2.637	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288006971	335051111	/nfs/dbraw/zinc/05/11/11/335051111.db2.gz	KTTKXNHSHRARKC-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1	ZINC000288009190	335051207	/nfs/dbraw/zinc/05/12/07/335051207.db2.gz	LZQMTNWHNMNXJF-WBVHZDCISA-N	0	3	301.434	2.824	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1Cl	ZINC000193691872	335051947	/nfs/dbraw/zinc/05/19/47/335051947.db2.gz	CPGDSGJETIQCMF-NHYWBVRUSA-N	0	3	308.809	2.519	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)C3CCCCC3)CC2)CC1	ZINC000602790529	399574863	/nfs/dbraw/zinc/57/48/63/399574863.db2.gz	HNXHMFNBOIFSQC-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
C=CCN(CC#CCN1C(=O)c2ccccc2C1=O)C(C)(C)C	ZINC000625538627	399580770	/nfs/dbraw/zinc/58/07/70/399580770.db2.gz	JCFWNZHFTOEWRO-UHFFFAOYSA-N	0	3	310.397	2.573	20	30		DFEDHN
N#CCC1(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)CC1	ZINC000602834183	399593375	/nfs/dbraw/zinc/59/33/75/399593375.db2.gz	SELWJICZGZCWIF-SFHVURJKSA-N	0	3	302.393	2.746	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000156751797	197137806	/nfs/dbraw/zinc/13/78/06/197137806.db2.gz	SVIPFQFTAQZQDG-MRXNPFEDSA-N	0	3	314.820	2.695	20	30		DFEDHN
CC#CCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000156539835	197122302	/nfs/dbraw/zinc/12/23/02/197122302.db2.gz	OUTOPXIIJAAYPX-UHFFFAOYSA-N	0	3	303.381	2.825	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000271548513	209004377	/nfs/dbraw/zinc/00/43/77/209004377.db2.gz	NQBVFGUILHGGGD-UHFFFAOYSA-N	0	3	306.797	2.771	20	30		DFEDHN
Cn1cc(CNC2CCN(CC#N)CC2)c(C2CCCCC2)n1	ZINC000612181106	399599209	/nfs/dbraw/zinc/59/92/09/399599209.db2.gz	MNSRLVIMUQLJEX-UHFFFAOYSA-N	0	3	315.465	2.545	20	30		DFEDHN
COc1cccc(CCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1	ZINC000602858361	399605959	/nfs/dbraw/zinc/60/59/59/399605959.db2.gz	RLIPARUFOZFXMF-HZPDHXFCSA-N	0	3	301.434	2.546	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1sccc1C#N	ZINC000052036502	542446450	/nfs/dbraw/zinc/44/64/50/542446450.db2.gz	WJWXOENEUKPHTB-OAHLLOKOSA-N	0	3	313.426	2.522	20	30		DFEDHN
C=CC[C@H]1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1	ZINC000625700353	399615376	/nfs/dbraw/zinc/61/53/76/399615376.db2.gz	BFYZXBHFPVCARQ-AWEZNQCLSA-N	0	3	320.458	2.525	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCN(C3CCCC3)CC2)c1	ZINC000120490868	195176991	/nfs/dbraw/zinc/17/69/91/195176991.db2.gz	QHRQGRLZTHKUPF-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C[C@@H](CCC#N)N1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000602887256	399616223	/nfs/dbraw/zinc/61/62/23/399616223.db2.gz	NVCOVZKKCMPYEF-AAEUAGOBSA-N	0	3	324.222	2.989	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@H]([C@H]1CCCO1)C1(CO)CCC1	ZINC000602891166	399616929	/nfs/dbraw/zinc/61/69/29/399616929.db2.gz	LJWYQCQCBGKMBO-QZTJIDSGSA-N	0	3	314.429	2.667	20	30		DFEDHN
Cc1cc(C#N)ccc1CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1	ZINC000602891167	399617684	/nfs/dbraw/zinc/61/76/84/399617684.db2.gz	LJWYQCQCBGKMBO-ROUUACIJSA-N	0	3	314.429	2.667	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(C)Cc2cccc(OC)c2)C1	ZINC000625705162	399619220	/nfs/dbraw/zinc/61/92/20/399619220.db2.gz	XXMKBPQRJXBVAW-OAHLLOKOSA-N	0	3	302.418	2.552	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)c(OC)cc2Cl)CC1	ZINC000288829557	335055455	/nfs/dbraw/zinc/05/54/55/335055455.db2.gz	CJOMAJHBNKKGQO-UHFFFAOYSA-N	0	3	320.820	2.941	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)NCC2(N(C)C)CC2)cc1C#N	ZINC000602904288	399621358	/nfs/dbraw/zinc/62/13/58/399621358.db2.gz	CXLLQBPVEVFABS-UHFFFAOYSA-N	0	3	316.405	2.561	20	30		DFEDHN
CC(C)(C)OC(=O)CCN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602911024	399623552	/nfs/dbraw/zinc/62/35/52/399623552.db2.gz	VBHFQMVEGQNHKG-UHFFFAOYSA-N	0	3	315.417	2.864	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(F)c2)CCN1C	ZINC000289636419	221119914	/nfs/dbraw/zinc/11/99/14/221119914.db2.gz	FKZWTQUTONIQED-FZMZJTMJSA-N	0	3	304.369	2.644	20	30		DFEDHN
COc1cc(CNC[C@]2(CO)C[C@H]2c2ccccc2)ccc1C#N	ZINC000289836968	221258895	/nfs/dbraw/zinc/25/88/95/221258895.db2.gz	MZDYQTODRLDZEE-ICSRJNTNSA-N	0	3	322.408	2.823	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000289901818	221303012	/nfs/dbraw/zinc/30/30/12/221303012.db2.gz	TYDJTLTYNRJGTO-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
Cc1ccc([O-])c(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1	ZINC000289981455	221358941	/nfs/dbraw/zinc/35/89/41/221358941.db2.gz	ZXTTZEMBXUKHTN-UHFFFAOYSA-N	0	3	324.428	2.531	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1	ZINC000290017140	221381562	/nfs/dbraw/zinc/38/15/62/221381562.db2.gz	ASGWXAPMLDFGMV-SFHVURJKSA-N	0	3	317.408	2.729	20	30		DFEDHN
CCCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CCN(C)C1	ZINC000603073408	399673272	/nfs/dbraw/zinc/67/32/72/399673272.db2.gz	TXLXIKDHRKFUPO-HNNXBMFYSA-N	0	3	304.369	2.645	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)Nc1ccnc(C#N)c1	ZINC000603124138	399687977	/nfs/dbraw/zinc/68/79/77/399687977.db2.gz	UNXTVDMETGFORV-INIZCTEOSA-N	0	3	315.421	2.585	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)Nc2ccnc(C#N)c2)CC1	ZINC000603137472	399691900	/nfs/dbraw/zinc/69/19/00/399691900.db2.gz	HMHJWKUTQIBAJL-UHFFFAOYSA-N	0	3	315.421	2.539	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1	ZINC000625939137	399694047	/nfs/dbraw/zinc/69/40/47/399694047.db2.gz	MQBZYELKQSIFGO-ZDUSSCGKSA-N	0	3	301.390	2.599	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(Cc2nc(C3CCC3)no2)CC1	ZINC000625998235	399714281	/nfs/dbraw/zinc/71/42/81/399714281.db2.gz	BYOTZKLZSGHYQU-OAHLLOKOSA-N	0	3	305.422	2.529	20	30		DFEDHN
N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)c1ccccc1Cl	ZINC000612740568	399714382	/nfs/dbraw/zinc/71/43/82/399714382.db2.gz	ORXJSULHTINKBG-CVEARBPZSA-N	0	3	317.820	2.895	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C#N)c(Br)cn2)CC1	ZINC000603289695	399733705	/nfs/dbraw/zinc/73/37/05/399733705.db2.gz	DJTILVGEXYDSEA-UHFFFAOYSA-N	0	3	321.222	2.778	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cc(C#N)c(Br)cn2)CCN1C	ZINC000603297895	399735852	/nfs/dbraw/zinc/73/58/52/399735852.db2.gz	RBKZUFOZZVAIII-KOLCDFICSA-N	0	3	309.211	2.610	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H]1Cn1ccnc1C	ZINC000121146269	195299301	/nfs/dbraw/zinc/29/93/01/195299301.db2.gz	WYSCZWNTNFOBIE-KRWDZBQOSA-N	0	3	310.401	2.736	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1	ZINC000289508789	335063920	/nfs/dbraw/zinc/06/39/20/335063920.db2.gz	FEJDZXUGFWAHHL-IBGZPJMESA-N	0	3	308.429	2.788	20	30		DFEDHN
Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1O	ZINC000292684092	533622675	/nfs/dbraw/zinc/62/26/75/533622675.db2.gz	AXJRSCSBVUJUMC-QGZVFWFLSA-N	0	3	323.396	2.929	20	30		DFEDHN
C=C[C@@H](CC(=O)Nc1cnn(CCN(C)C)c1)c1ccccc1	ZINC000124132365	542596356	/nfs/dbraw/zinc/59/63/56/542596356.db2.gz	RIGMLHOXYISBPQ-HNNXBMFYSA-N	0	3	312.417	2.743	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)c2cc(C#N)c(Br)cn2)C1	ZINC000603392291	399763411	/nfs/dbraw/zinc/76/34/11/399763411.db2.gz	XYBBSYDUDWHDJC-GFCCVEGCSA-N	0	3	323.238	2.635	20	30		DFEDHN
C=CCCOCC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000147388586	542661502	/nfs/dbraw/zinc/66/15/02/542661502.db2.gz	DMMLGDYSNHQRLK-UHFFFAOYSA-N	0	3	316.445	2.622	20	30		DFEDHN
Cc1ccc([C@H](CNc2nc(C)cc(C#N)n2)N2CCCC2)o1	ZINC000287811072	131301153	/nfs/dbraw/zinc/30/11/53/131301153.db2.gz	JSHHQSIJLKFUAH-HNNXBMFYSA-N	0	3	311.389	2.807	20	30		DFEDHN
C=C[C@H](CO)NCc1cc(C)c(OCc2ccccn2)c(C)c1	ZINC000289717602	335066014	/nfs/dbraw/zinc/06/60/14/335066014.db2.gz	FLSUEQIZBDXYTN-QGZVFWFLSA-N	0	3	312.413	2.914	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(Cc3ccsc3)C2)CC1	ZINC000621456886	399803128	/nfs/dbraw/zinc/80/31/28/399803128.db2.gz	XLGOEVWBRUOAPF-UHFFFAOYSA-N	0	3	319.474	2.582	20	30		DFEDHN
C=C[C@](C)(CC)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000290078635	335068336	/nfs/dbraw/zinc/06/83/36/335068336.db2.gz	LSDWIZDJFIJGBY-QGZVFWFLSA-N	0	3	316.405	2.926	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCc2ccc(Br)cc21	ZINC000271997341	542966383	/nfs/dbraw/zinc/96/63/83/542966383.db2.gz	JUWVHQRSUDDREV-CQSZACIVSA-N	0	3	323.234	2.718	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)[C@H]2CCC[C@H]21	ZINC000293026482	543019658	/nfs/dbraw/zinc/01/96/58/543019658.db2.gz	KZBYKYKLUTUYKH-SJORKVTESA-N	0	3	311.429	2.685	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21	ZINC000293026474	543019148	/nfs/dbraw/zinc/01/91/48/543019148.db2.gz	KZBYKYKLUTUYKH-DLBZAZTESA-N	0	3	311.429	2.685	20	30		DFEDHN
CC(=O)N[C@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1	ZINC000329551652	543105778	/nfs/dbraw/zinc/10/57/78/543105778.db2.gz	JNYZWBUKNUEBTR-INIZCTEOSA-N	0	3	313.405	2.517	20	30		DFEDHN
Cn1cc([C@H]2CCCN(CCOc3ccc(C#N)cc3)C2)cn1	ZINC000604557454	399855228	/nfs/dbraw/zinc/85/52/28/399855228.db2.gz	OAUWWOGXOSDKSW-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCCCN2C2CC2)c2ccccc2n1	ZINC000617976646	399855316	/nfs/dbraw/zinc/85/53/16/399855316.db2.gz	HBSNJYFSDMBMLC-MRXNPFEDSA-N	0	3	306.413	2.957	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1	ZINC000346170269	543178301	/nfs/dbraw/zinc/17/83/01/543178301.db2.gz	QVLZPBRTZDNWJQ-UAGQMJEPSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](C(C)(C)C)C1=O)C(C)C	ZINC000348780371	543187529	/nfs/dbraw/zinc/18/75/29/543187529.db2.gz	PCHJWRJYRFWMAD-HUUCEWRRSA-N	0	3	321.465	2.652	20	30		DFEDHN
CC[C@H](CC#N)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000390885578	543307323	/nfs/dbraw/zinc/30/73/23/543307323.db2.gz	BPGVYRWCTSRHTB-QZTJIDSGSA-N	0	3	301.434	2.559	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CNCc2ccc(C#N)c(F)c2)c1	ZINC000404176152	543313835	/nfs/dbraw/zinc/31/38/35/543313835.db2.gz	XVVWNNSQRRBGEU-MRXNPFEDSA-N	0	3	314.360	2.535	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000172556581	145306770	/nfs/dbraw/zinc/30/67/70/145306770.db2.gz	FWZDMKMOPJIWEC-QGZVFWFLSA-N	0	3	317.396	2.981	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1[C@H](C)CC[C@H]1C	ZINC000174547199	145384368	/nfs/dbraw/zinc/38/43/68/145384368.db2.gz	IFYHIZWDZKIWJF-UPJWGTAASA-N	0	3	303.381	2.575	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnn2CC2CCC2)nc(C)n1	ZINC000633900518	399959230	/nfs/dbraw/zinc/95/92/30/399959230.db2.gz	QPNUZWQBFKJEGH-CQSZACIVSA-N	0	3	309.373	2.580	20	30		DFEDHN
C=C(C)CN1CCC(NCc2c(OC)cc(F)cc2OC)CC1	ZINC000631063888	399972328	/nfs/dbraw/zinc/97/23/28/399972328.db2.gz	HHTYVQJKBUPNFF-UHFFFAOYSA-N	0	3	322.424	2.973	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1	ZINC000628486864	400036380	/nfs/dbraw/zinc/03/63/80/400036380.db2.gz	RXHODALJYIHNTL-WMZOPIPTSA-N	0	3	313.445	2.718	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1ccncc1Br	ZINC000631125160	399985497	/nfs/dbraw/zinc/98/54/97/399985497.db2.gz	ALAKDRYRZIYCII-JSGCOSHPSA-N	0	3	311.223	2.915	20	30		DFEDHN
Cn1cc(CNCCc2nccs2)c(-c2ccc(C#N)cc2)n1	ZINC000180156849	145571953	/nfs/dbraw/zinc/57/19/53/145571953.db2.gz	NVNKUHIGTWIIAI-UHFFFAOYSA-N	0	3	323.425	2.748	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1ccncc1)C(C)C	ZINC000631274636	400016575	/nfs/dbraw/zinc/01/65/75/400016575.db2.gz	REPLVZLPLJFBMW-FUHWJXTLSA-N	0	3	315.461	3.000	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C2CCOCC2)[nH]1	ZINC000631695373	400067306	/nfs/dbraw/zinc/06/73/06/400067306.db2.gz	JGJQEWNHABAPSS-UKRRQHHQSA-N	0	3	304.438	2.923	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1	ZINC000245972962	146112617	/nfs/dbraw/zinc/11/26/17/146112617.db2.gz	FUQVKGGUZZWUBT-QZTJIDSGSA-N	0	3	324.428	2.779	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000248923728	146178038	/nfs/dbraw/zinc/17/80/38/146178038.db2.gz	WWPAXUPSSWRLMF-HNAYVOBHSA-N	0	3	319.408	2.809	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(C[C@H]3CCC=CO3)CC2)cc1	ZINC000249045999	146184786	/nfs/dbraw/zinc/18/47/86/146184786.db2.gz	WAIABFSGOHDNMJ-LJQANCHMSA-N	0	3	311.429	2.759	20	30		DFEDHN
CCN1C[C@@H](C)N(c2cc(C#N)c(Br)cn2)C[C@H]1C	ZINC000603334155	543471905	/nfs/dbraw/zinc/47/19/05/543471905.db2.gz	QIPYDZJVRDZYBA-GHMZBOCLSA-N	0	3	323.238	2.635	20	30		DFEDHN
Cc1cnn(CC2CCN(CCOc3ccccc3C#N)CC2)c1	ZINC000357838614	148143317	/nfs/dbraw/zinc/14/33/17/148143317.db2.gz	MLSQFFUQLXJSBA-UHFFFAOYSA-N	0	3	324.428	2.854	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccnc(C#N)c1)N(C)C	ZINC000357869288	148156744	/nfs/dbraw/zinc/15/67/44/148156744.db2.gz	MCMWXZBLXIJEEU-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)CN(C)C	ZINC000358494673	148378426	/nfs/dbraw/zinc/37/84/26/148378426.db2.gz	CETAVOAVEWAOFP-OAHLLOKOSA-N	0	3	316.449	2.676	20	30		DFEDHN
C[C@@H](O)[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000361069753	149021999	/nfs/dbraw/zinc/02/19/99/149021999.db2.gz	TVZQKJFIWMMLBL-KDOFPFPSSA-N	0	3	324.428	2.694	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1	ZINC000361253395	149066898	/nfs/dbraw/zinc/06/68/98/149066898.db2.gz	VGUBNXPLDDBODJ-HNNXBMFYSA-N	0	3	309.344	2.592	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)n(C)c2)[C@@H](C)CN1Cc1ccccc1	ZINC000361547133	149143378	/nfs/dbraw/zinc/14/33/78/149143378.db2.gz	DVHSKSLJHBGDTG-SJORKVTESA-N	0	3	322.456	2.992	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN(CC2CC2)CC2CCC2)c1	ZINC000361550612	149146505	/nfs/dbraw/zinc/14/65/05/149146505.db2.gz	FSXAUZVORDAJPB-UHFFFAOYSA-N	0	3	311.429	2.687	20	30		DFEDHN
CC(C)CN(C(=O)c1ccc(C#N)s1)C1CCN(C)CC1	ZINC000362247025	149293334	/nfs/dbraw/zinc/29/33/34/149293334.db2.gz	XUAHFPQJDDTAMA-UHFFFAOYSA-N	0	3	305.447	2.812	20	30		DFEDHN
Cc1ccnc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1C#N	ZINC000371691684	150081579	/nfs/dbraw/zinc/08/15/79/150081579.db2.gz	CACMKIHSBKUVLM-BFYDXBDKSA-N	0	3	314.433	2.563	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CO)N1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000371707767	150084039	/nfs/dbraw/zinc/08/40/39/150084039.db2.gz	PUTOVDFMPIUSAF-KDOFPFPSSA-N	0	3	324.428	2.694	20	30		DFEDHN
C[C@H]1N(Cc2cnc3ccc(C#N)cn23)CCC12CCOCC2	ZINC000371864887	150106401	/nfs/dbraw/zinc/10/64/01/150106401.db2.gz	PHBURVCYIHFHTG-CQSZACIVSA-N	0	3	310.401	2.597	20	30		DFEDHN
Cc1cc([C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)n[nH]1	ZINC000372002981	150123278	/nfs/dbraw/zinc/12/32/78/150123278.db2.gz	CEEMZMZHTPXJKU-WMZOPIPTSA-N	0	3	310.401	2.503	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1	ZINC000372855862	150193080	/nfs/dbraw/zinc/19/30/80/150193080.db2.gz	HHTSDCHYJQAAJJ-OALUTQOASA-N	0	3	319.408	2.694	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21	ZINC000373180899	150243342	/nfs/dbraw/zinc/24/33/42/150243342.db2.gz	XBZLJHFHUFYSBU-IAQYHMDHSA-N	0	3	318.808	2.770	20	30		DFEDHN
C[C@H](NCc1ccnc(-n2ccnc2)c1)c1ccc(C#N)cc1	ZINC000373228121	150250207	/nfs/dbraw/zinc/25/02/07/150250207.db2.gz	MSUQRZYORZFRSF-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](N2CCCCC2)C1	ZINC000373903564	150276090	/nfs/dbraw/zinc/27/60/90/150276090.db2.gz	LFRABROCKDFNNA-CQSZACIVSA-N	0	3	301.390	2.550	20	30		DFEDHN
CC(C)(C)OC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000374299773	150339043	/nfs/dbraw/zinc/33/90/43/150339043.db2.gz	CGTDWKQYCXFSHB-GOSISDBHSA-N	0	3	314.429	2.823	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCS[C@@H]3COCC[C@H]32)cc1	ZINC000247276357	158127492	/nfs/dbraw/zinc/12/74/92/158127492.db2.gz	SNPTYWPPVAHVAF-IAGOWNOFSA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@@H](NCCCOC[C@H]1CCCO1)c1ccc(C#N)cc1F	ZINC000358580589	158390774	/nfs/dbraw/zinc/39/07/74/158390774.db2.gz	YDKWDZJZXZYOAV-UKRRQHHQSA-N	0	3	306.381	2.934	20	30		DFEDHN
C=CCNC(=O)CNC[C@H](C)c1ccc(C(F)(F)F)cc1	ZINC000290230608	335070310	/nfs/dbraw/zinc/07/03/10/335070310.db2.gz	FUYXDDSUFBYIIE-NSHDSACASA-N	0	3	300.324	2.701	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000271632771	209077415	/nfs/dbraw/zinc/07/74/15/209077415.db2.gz	FYGMKFBNFXGUHL-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
CS[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1N(C)C	ZINC000271633750	209078637	/nfs/dbraw/zinc/07/86/37/209078637.db2.gz	OJNCMBJGLXVAEG-CVEARBPZSA-N	0	3	312.442	2.588	20	30		DFEDHN
C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)Nc1cccc(C#N)c1	ZINC000132560513	196265440	/nfs/dbraw/zinc/26/54/40/196265440.db2.gz	KUYNYLIUCQZOAE-WFASDCNBSA-N	0	3	315.417	2.821	20	30		DFEDHN
C=CC[C@H]1CCCN(Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000668492832	543814807	/nfs/dbraw/zinc/81/48/07/543814807.db2.gz	HDTOJZURFLSWNH-AWEZNQCLSA-N	0	3	308.447	2.846	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc(OC)c1O	ZINC000668554243	543825673	/nfs/dbraw/zinc/82/56/73/543825673.db2.gz	LRJRJNMCUGQNDV-LAQFHYBYSA-N	0	3	305.418	2.578	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(-c3cnco3)c2)CC1	ZINC000668369533	543798827	/nfs/dbraw/zinc/79/88/27/543798827.db2.gz	ZWFGZVSXIDQYLQ-UHFFFAOYSA-N	0	3	311.385	2.722	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1OC	ZINC000668595963	543834112	/nfs/dbraw/zinc/83/41/12/543834112.db2.gz	VXPYIHJLFGHWMF-YJBOKZPZSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCc1cc(CN2C[C@H]3COC[C@]3(C)C2)cc(OC)c1O	ZINC000668596805	543834398	/nfs/dbraw/zinc/83/43/98/543834398.db2.gz	MQSLXSOZYCJJQU-YJBOKZPZSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](OC)C1)C(C)C	ZINC000668682319	543844836	/nfs/dbraw/zinc/84/48/36/543844836.db2.gz	DPWMZDOUGFHQFF-GVDBMIGSSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000668732436	543855827	/nfs/dbraw/zinc/85/58/27/543855827.db2.gz	UFDHISMKSGFGBE-KRWDZBQOSA-N	0	3	316.445	2.988	20	30		DFEDHN
CCN1CC[C@@H](NCC#CCOC)[C@H]1c1ccc(Cl)c(F)c1	ZINC000670093457	544022218	/nfs/dbraw/zinc/02/22/18/544022218.db2.gz	HSEQNHGEDCDRTO-IAGOWNOFSA-N	0	3	324.827	2.854	20	30		DFEDHN
C=CCOc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1	ZINC000671723955	544103127	/nfs/dbraw/zinc/10/31/27/544103127.db2.gz	FIKQDINCZDXWBZ-UHFFFAOYSA-N	0	3	310.397	2.569	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2cccnc2C#N)CC1	ZINC000290903526	222007846	/nfs/dbraw/zinc/00/78/46/222007846.db2.gz	FPLJNLHMCVCIOS-QGZVFWFLSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000677047894	544425448	/nfs/dbraw/zinc/42/54/48/544425448.db2.gz	JKMSXHLOALAUFZ-FQEVSTJZSA-N	0	3	310.441	2.894	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1C[C@@H]2CCCCN2C[C@H]1CC)OCC	ZINC000677314053	544469636	/nfs/dbraw/zinc/46/96/36/544469636.db2.gz	ZUIHKMHEYSNQCC-IKGGRYGDSA-N	0	3	308.466	2.833	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(Nc2cc(OC)cc(OC)c2)CC1	ZINC000678220485	544622911	/nfs/dbraw/zinc/62/29/11/544622911.db2.gz	VUEHINQEFKZRBI-SFHVURJKSA-N	0	3	320.433	2.517	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cnccc2C)CC1	ZINC000678441251	544674443	/nfs/dbraw/zinc/67/44/43/544674443.db2.gz	VITHQZCHFMNRPN-OAHLLOKOSA-N	0	3	316.449	2.791	20	30		DFEDHN
C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000299505679	229163344	/nfs/dbraw/zinc/16/33/44/229163344.db2.gz	BVOWKVXVNUGBTL-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
COCC#CCN[C@H](C)c1ccc(OC)c(Br)c1	ZINC000678732678	544713436	/nfs/dbraw/zinc/71/34/36/544713436.db2.gz	ANAAWMLSKOVACG-LLVKDONJSA-N	0	3	312.207	2.758	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nn1	ZINC000301962128	230004673	/nfs/dbraw/zinc/00/46/73/230004673.db2.gz	MXMHZWWOSZMAGR-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCSc3ccccc32)CC1	ZINC000057137291	425896348	/nfs/dbraw/zinc/89/63/48/425896348.db2.gz	ZDEWLUUKPRIXFS-MRXNPFEDSA-N	0	3	314.454	2.685	20	30		DFEDHN
CC#CCCN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000155682132	425924552	/nfs/dbraw/zinc/92/45/52/425924552.db2.gz	QAMAVNPXZUXRTA-CQSZACIVSA-N	0	3	315.335	2.790	20	30		DFEDHN
N#Cc1ccccc1CN[C@@H](C1CCOCC1)C1(CO)CCC1	ZINC000521615612	269974268	/nfs/dbraw/zinc/97/42/68/269974268.db2.gz	CDWGNXFSUCGPSD-SFHVURJKSA-N	0	3	314.429	2.606	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000360176294	265558987	/nfs/dbraw/zinc/55/89/87/265558987.db2.gz	UQRSBUOIJRPJDY-OAHLLOKOSA-N	0	3	311.429	2.818	20	30		DFEDHN
CC(C)[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C	ZINC000348785434	265899403	/nfs/dbraw/zinc/89/94/03/265899403.db2.gz	BJOVCPLAJZHOHN-GOSISDBHSA-N	0	3	311.429	2.760	20	30		DFEDHN
CCCC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCC1	ZINC000392001716	266022714	/nfs/dbraw/zinc/02/27/14/266022714.db2.gz	ZNPASXRWXXHPLL-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
CCCCN(C)CCNC(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000353294123	266027078	/nfs/dbraw/zinc/02/70/78/266027078.db2.gz	IAFLGYLQCMCJDN-UHFFFAOYSA-N	0	3	314.433	2.578	20	30		DFEDHN
CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCOC(C)(C)C1	ZINC000351935953	266106223	/nfs/dbraw/zinc/10/62/23/266106223.db2.gz	KMKXZGFEPZFIBP-INIZCTEOSA-N	0	3	315.417	2.776	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279716606	266108742	/nfs/dbraw/zinc/10/87/42/266108742.db2.gz	LVNKNQVWOPNZOL-ZDUSSCGKSA-N	0	3	309.291	2.651	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000352474766	266146196	/nfs/dbraw/zinc/14/61/96/266146196.db2.gz	JYYYFWUOJNDFGN-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCOC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)C	ZINC000348478303	266282947	/nfs/dbraw/zinc/28/29/47/266282947.db2.gz	MFBDMPCCKXDOLR-CQSZACIVSA-N	0	3	323.462	2.826	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(F)c(C#N)c1	ZINC000352246466	267017023	/nfs/dbraw/zinc/01/70/23/267017023.db2.gz	PYOJWCXBRMLVIL-BETUJISGSA-N	0	3	303.381	2.690	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(C#N)c(C)c2)CCN1CCOC	ZINC000488170465	267037348	/nfs/dbraw/zinc/03/73/48/267037348.db2.gz	VXHVUPLWHFHTLY-IBGZPJMESA-N	0	3	315.461	2.799	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2sccc2C#N)CCN(C2CCC2)C1	ZINC000344716581	267044006	/nfs/dbraw/zinc/04/40/06/267044006.db2.gz	SZXDGBBEHDMPIV-LBPRGKRZSA-N	0	3	303.431	2.566	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1Cc1cn2ccccc2c1C#N	ZINC000343914406	267065671	/nfs/dbraw/zinc/06/56/71/267065671.db2.gz	FPYHCZGNKMZRBX-WBVHZDCISA-N	0	3	308.429	2.870	20	30		DFEDHN
C[C@@H]1C[C@H](CN2CCN(c3ccc(C#N)cc3F)CC2)CCO1	ZINC000352693275	267087607	/nfs/dbraw/zinc/08/76/07/267087607.db2.gz	RKAHZRYBNQOIDU-GDBMZVCRSA-N	0	3	317.408	2.634	20	30		DFEDHN
C[C@@]1(CNc2cncc(C#N)n2)CCCN1Cc1ccccc1	ZINC000401203668	267115884	/nfs/dbraw/zinc/11/58/84/267115884.db2.gz	QAYHMPJESNZBLC-SFHVURJKSA-N	0	3	307.401	2.815	20	30		DFEDHN
CCO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1C	ZINC000451525514	267147547	/nfs/dbraw/zinc/14/75/47/267147547.db2.gz	MTQDVFJZLOPFSJ-GXTWGEPZSA-N	0	3	321.446	2.695	20	30		DFEDHN
C[C@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348438982	267147795	/nfs/dbraw/zinc/14/77/95/267147795.db2.gz	FZGTZTBCSFUSNG-MFKMUULPSA-N	0	3	309.291	2.698	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN1C	ZINC000421098108	267165670	/nfs/dbraw/zinc/16/56/70/267165670.db2.gz	ZIGSITYMKUSWEF-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1F	ZINC000338200836	267175117	/nfs/dbraw/zinc/17/51/17/267175117.db2.gz	OSTIYICFSUOMIL-SWLSCSKDSA-N	0	3	322.343	2.652	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)CN1C	ZINC000351105916	267232662	/nfs/dbraw/zinc/23/26/62/267232662.db2.gz	WFBNSMSMEJUGGO-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000361403893	267233894	/nfs/dbraw/zinc/23/38/94/267233894.db2.gz	KBBKINTYHOXXRO-WMLDXEAASA-N	0	3	322.412	2.527	20	30		DFEDHN
C[C@]1(CO)CCC[C@H]1NCc1ccc(Br)cc1C#N	ZINC000347218956	267261762	/nfs/dbraw/zinc/26/17/62/267261762.db2.gz	BZHZBWHJAMJKRZ-HUUCEWRRSA-N	0	3	323.234	2.961	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCC[C@H]1O	ZINC000426203107	267315022	/nfs/dbraw/zinc/31/50/22/267315022.db2.gz	IXWMNWWLZOYTKI-ZIAGYGMSSA-N	0	3	310.344	2.895	20	30		DFEDHN
CN(Cc1cccc(Cl)c1)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000519654598	267318750	/nfs/dbraw/zinc/31/87/50/267318750.db2.gz	UOXNNEMALURXSW-ZDUSSCGKSA-N	0	3	315.808	2.582	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)/C=C\c3ccc(C#N)cc3)C2)C1	ZINC000493763301	267336851	/nfs/dbraw/zinc/33/68/51/267336851.db2.gz	YRQDOZNANCHYHU-QULHZPMSSA-N	0	3	309.413	2.516	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)cc(C#N)n1	ZINC000342511374	267346579	/nfs/dbraw/zinc/34/65/79/267346579.db2.gz	MVEZOQSJDLPVGQ-HUUCEWRRSA-N	0	3	302.422	2.563	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2cccc(C#N)c2F)CC1	ZINC000492200298	267376399	/nfs/dbraw/zinc/37/63/99/267376399.db2.gz	GHQHTZRSMDEBNP-GFCCVEGCSA-N	0	3	319.380	2.654	20	30		DFEDHN
COc1cc(CNCC[C@H]2COc3ccccc3O2)ccc1C#N	ZINC000440632305	267593535	/nfs/dbraw/zinc/59/35/35/267593535.db2.gz	BULUQCUYXFRRMW-INIZCTEOSA-N	0	3	324.380	2.887	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCCOc1ccc(C#N)cc1)CO2	ZINC000453157641	267647376	/nfs/dbraw/zinc/64/73/76/267647376.db2.gz	ZQNYBDRWDLKSAO-MRXNPFEDSA-N	0	3	324.380	2.539	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000037856729	425849613	/nfs/dbraw/zinc/84/96/13/425849613.db2.gz	UVIKSTOJOUFNLX-OCCSQVGLSA-N	0	3	302.399	2.710	20	30		DFEDHN
N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1ccccn1	ZINC000041492953	425852196	/nfs/dbraw/zinc/85/21/96/425852196.db2.gz	XCKTYFZDEMBFNJ-MRXNPFEDSA-N	0	3	302.337	2.816	20	30		DFEDHN
COc1ccc(CNC[C@@](C)(O)C2CCCCC2)cc1C#N	ZINC000191673854	268010271	/nfs/dbraw/zinc/01/02/71/268010271.db2.gz	MAPPAVNBCJSJBQ-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cc1cccc2c1CN(C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000429595974	268058257	/nfs/dbraw/zinc/05/82/57/268058257.db2.gz	LAWLWXYSBVCCNO-GOSISDBHSA-N	0	3	322.408	2.665	20	30		DFEDHN
Cc1ccsc1[C@H](CO)NCCOc1cccc(C#N)c1	ZINC000494648865	268067219	/nfs/dbraw/zinc/06/72/19/268067219.db2.gz	LVYFTQABTWFCOO-HNNXBMFYSA-N	0	3	302.399	2.630	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCC[C@H]2CCO)c(OC(F)F)c1	ZINC000348177598	268076643	/nfs/dbraw/zinc/07/66/43/268076643.db2.gz	CDYAGBBCSDMKAV-JSGCOSHPSA-N	0	3	310.344	2.800	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCc3occc3C2)cc1	ZINC000289684857	268083834	/nfs/dbraw/zinc/08/38/34/268083834.db2.gz	LNRCCVDKLSMULO-KRWDZBQOSA-N	0	3	319.364	2.809	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2cccc(F)c2)cc1	ZINC000348009301	268084799	/nfs/dbraw/zinc/08/47/99/268084799.db2.gz	XUSUBCJXJCSXGY-KRWDZBQOSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3sccc3C2)cc1	ZINC000348042831	268089568	/nfs/dbraw/zinc/08/95/68/268089568.db2.gz	ZVZHTZNJDOWKHN-MRXNPFEDSA-N	0	3	321.405	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2cccc(F)c2)cc1	ZINC000348072455	268091146	/nfs/dbraw/zinc/09/11/46/268091146.db2.gz	AYTIOBONGHLYMR-MRXNPFEDSA-N	0	3	307.328	2.696	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000194720563	268113134	/nfs/dbraw/zinc/11/31/34/268113134.db2.gz	XFTAMHXRVIDAQB-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@H]3C[C@H]3c3ccccc3)CC2)nc1	ZINC000349862543	268118078	/nfs/dbraw/zinc/11/80/78/268118078.db2.gz	WOXJVLQOHWOBTG-MOPGFXCFSA-N	0	3	318.424	2.879	20	30		DFEDHN
CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccccc2C#N)C1	ZINC000194852523	268118748	/nfs/dbraw/zinc/11/87/48/268118748.db2.gz	BPIIDBVLJOKAFG-GOSISDBHSA-N	0	3	300.402	2.969	20	30		DFEDHN
N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)c(OC(F)F)c1	ZINC000437897939	268220376	/nfs/dbraw/zinc/22/03/76/268220376.db2.gz	PCFRGWYPGBBDQP-HNNXBMFYSA-N	0	3	321.371	2.830	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3cccnc3)CC2)s1	ZINC000421346626	268232535	/nfs/dbraw/zinc/23/25/35/268232535.db2.gz	DCAIFCJXUSDVDL-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#Cc1cccc(C2(NCC[S@@](=O)c3ccccc3)CC2)c1	ZINC000341943308	268241671	/nfs/dbraw/zinc/24/16/71/268241671.db2.gz	RWECQTMXKIYNNX-JOCHJYFZSA-N	0	3	310.422	2.945	20	30		DFEDHN
N#Cc1cccc(CCN[C@@H](c2cccs2)c2nnc[nH]2)c1	ZINC000340381433	268244824	/nfs/dbraw/zinc/24/48/24/268244824.db2.gz	YKHVIVHQUZFIBZ-HNNXBMFYSA-N	0	3	309.398	2.660	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H]2Cn2cc(C3CC3)nn2)c1	ZINC000344022926	268248019	/nfs/dbraw/zinc/24/80/19/268248019.db2.gz	HLTPEMCAPGCNSB-QGZVFWFLSA-N	0	3	307.401	2.692	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@@H]2CCCCC(F)(F)C2)C(N)=O)cc1	ZINC000427840702	268262750	/nfs/dbraw/zinc/26/27/50/268262750.db2.gz	WZGUNPCZAIAVBE-UKRRQHHQSA-N	0	3	321.371	2.890	20	30		DFEDHN
N#Cc1ccc([C@H](NCC[C@H]2CCc3ccccc32)C(N)=O)cc1	ZINC000419209222	268263735	/nfs/dbraw/zinc/26/37/35/268263735.db2.gz	SOVXBMOSACTOMT-APWZRJJASA-N	0	3	319.408	2.794	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1	ZINC000349967339	268293815	/nfs/dbraw/zinc/29/38/15/268293815.db2.gz	SSLWCZMARPQJHD-RTBURBONSA-N	0	3	318.424	2.879	20	30		DFEDHN
N#Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1	ZINC000367517684	268295744	/nfs/dbraw/zinc/29/57/44/268295744.db2.gz	DBGNUAKMWPQUSY-ZWKOTPCHSA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CCCCC[C@@H]21	ZINC000528402734	268302807	/nfs/dbraw/zinc/30/28/07/268302807.db2.gz	IALVESROQWMXPM-ZACQAIPSSA-N	0	3	300.402	2.562	20	30		DFEDHN
N#Cc1cnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c(F)c1	ZINC000425270681	268313021	/nfs/dbraw/zinc/31/30/21/268313021.db2.gz	ATZWGNGYXPHTGQ-FUHWJXTLSA-N	0	3	322.387	2.803	20	30		DFEDHN
CCN(CCO)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000305728803	268333309	/nfs/dbraw/zinc/33/33/09/268333309.db2.gz	JPHFVAQBMZTHMR-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccc(C#N)cc1	ZINC000309889706	268336745	/nfs/dbraw/zinc/33/67/45/268336745.db2.gz	MBNDGSSCILDUBQ-QWHCGFSZSA-N	0	3	303.406	2.950	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2sccc2C#N)CCS1	ZINC000333021660	268369522	/nfs/dbraw/zinc/36/95/22/268369522.db2.gz	JHGZOJJQBXOXSH-UHFFFAOYSA-N	0	3	309.460	2.776	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000125613538	425982426	/nfs/dbraw/zinc/98/24/26/425982426.db2.gz	SCWCBLDAIQUYFQ-UAGQMJEPSA-N	0	3	300.402	2.812	20	30		DFEDHN
CC(C)CN1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1	ZINC000158607909	425945278	/nfs/dbraw/zinc/94/52/78/425945278.db2.gz	LEGNUSKDBWEWRU-UHFFFAOYSA-N	0	3	324.428	2.987	20	30		DFEDHN
C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1	ZINC000158972639	425951228	/nfs/dbraw/zinc/95/12/28/425951228.db2.gz	SRCOWROBOMRVOO-CQSZACIVSA-N	0	3	307.401	2.668	20	30		DFEDHN
Cc1nccn1CCCN1CCCN(c2ccccc2C#N)CC1	ZINC000125124442	425954635	/nfs/dbraw/zinc/95/46/35/425954635.db2.gz	DOMPYGGFQZPEEX-UHFFFAOYSA-N	0	3	323.444	2.666	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(N(C)C)cc2)CC1	ZINC000106315092	425971925	/nfs/dbraw/zinc/97/19/25/425971925.db2.gz	WBHXQPMVDBQNEE-UHFFFAOYSA-N	0	3	316.449	2.915	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)CC1	ZINC000161520138	426027982	/nfs/dbraw/zinc/02/79/82/426027982.db2.gz	KBDNQTGAINAWBS-UHFFFAOYSA-N	0	3	319.453	2.800	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1ccco1)C(C)C	ZINC000073844135	426032324	/nfs/dbraw/zinc/03/23/24/426032324.db2.gz	PYAYFURTFHSIGN-MRXNPFEDSA-N	0	3	305.422	2.777	20	30		DFEDHN
COc1cccc([C@H](O)CNC2CC(C#N)(c3ccccc3)C2)c1	ZINC000126861130	426040051	/nfs/dbraw/zinc/04/00/51/426040051.db2.gz	VKGDPXSTJAXRGH-SKINQDTJSA-N	0	3	322.408	2.942	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cccc(CC)c2)CC1	ZINC000126877349	426040838	/nfs/dbraw/zinc/04/08/38/426040838.db2.gz	RHAOUNFZEVCZOD-UHFFFAOYSA-N	0	3	300.446	2.948	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1	ZINC000074130248	426041472	/nfs/dbraw/zinc/04/14/72/426041472.db2.gz	KJEHTKAISSSXND-CRAIPNDOSA-N	0	3	323.481	2.530	20	30		DFEDHN
N#CCSCCCN1CCCN(c2ccccc2C#N)CC1	ZINC000074981658	426059446	/nfs/dbraw/zinc/05/94/46/426059446.db2.gz	DLNGFJVXBDNYCK-UHFFFAOYSA-N	0	3	314.458	2.717	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005964	426060822	/nfs/dbraw/zinc/06/08/22/426060822.db2.gz	DYDJNOLFTVMRPW-INIZCTEOSA-N	0	3	315.417	2.999	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005646	426061074	/nfs/dbraw/zinc/06/10/74/426061074.db2.gz	ZXSVBIPETSOJMG-INIZCTEOSA-N	0	3	315.417	2.999	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000126288480	426013611	/nfs/dbraw/zinc/01/36/11/426013611.db2.gz	UJIHIEDERVONMF-LSDHHAIUSA-N	0	3	312.454	2.645	20	30		DFEDHN
C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1	ZINC000163151270	426091367	/nfs/dbraw/zinc/09/13/67/426091367.db2.gz	KBTCOYIIGKDMSD-AWEZNQCLSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](O)c2ccccc2Cl)CC1	ZINC000163549212	426103593	/nfs/dbraw/zinc/10/35/93/426103593.db2.gz	XJMOXCJJKWFECH-MRXNPFEDSA-N	0	3	322.836	2.530	20	30		DFEDHN
Cc1cccc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000114183987	426129764	/nfs/dbraw/zinc/12/97/64/426129764.db2.gz	ZLTPIUHVODVAKW-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H](CCO)c1ccccc1	ZINC000077451593	426134003	/nfs/dbraw/zinc/13/40/03/426134003.db2.gz	ORIFOEDSRUGVFA-GOSISDBHSA-N	0	3	309.409	2.954	20	30		DFEDHN
CCN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000127676492	426080020	/nfs/dbraw/zinc/08/00/20/426080020.db2.gz	BGWJRAZHMRBNOR-UHFFFAOYSA-N	0	3	312.335	2.574	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2ccccc2C#N)[C@H]1C	ZINC000112643947	426085920	/nfs/dbraw/zinc/08/59/20/426085920.db2.gz	UPPAPHNCJWKBJO-QWHCGFSZSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2csc(C(C)(C)C)n2)CC1	ZINC000171716536	426206716	/nfs/dbraw/zinc/20/67/16/426206716.db2.gz	FNLLGIKAOWPNHO-UHFFFAOYSA-N	0	3	321.490	2.750	20	30		DFEDHN
CN(CCN(C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	ZINC000114713940	426142850	/nfs/dbraw/zinc/14/28/50/426142850.db2.gz	CXEVRFXCWCZVLL-UHFFFAOYSA-N	0	3	318.424	2.994	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1	ZINC000170647856	426143090	/nfs/dbraw/zinc/14/30/90/426143090.db2.gz	OJNNPDWXZZPZST-INIZCTEOSA-N	0	3	315.417	2.905	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000115006719	426151794	/nfs/dbraw/zinc/15/17/94/426151794.db2.gz	PDAHSKLWKPTXII-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)nc1	ZINC000115359593	426162474	/nfs/dbraw/zinc/16/24/74/426162474.db2.gz	IEEWRMLSSDIXCW-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000170993800	426163676	/nfs/dbraw/zinc/16/36/76/426163676.db2.gz	JSUQHVFMMRBREC-ZDUSSCGKSA-N	0	3	317.437	2.578	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N(C)C)C1	ZINC000171081218	426168593	/nfs/dbraw/zinc/16/85/93/426168593.db2.gz	GCSYTNHCTXBHRX-CQSZACIVSA-N	0	3	316.405	2.513	20	30		DFEDHN
CCOC(=O)N[C@H](CNCc1cccc(C#N)c1)CC(C)C	ZINC000078651263	426179169	/nfs/dbraw/zinc/17/91/69/426179169.db2.gz	RPBUEBLXCPOJJB-INIZCTEOSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000117078217	426206198	/nfs/dbraw/zinc/20/61/98/426206198.db2.gz	CMRICZXDBUWWCH-CQSZACIVSA-N	0	3	317.433	2.548	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000078759443	426184637	/nfs/dbraw/zinc/18/46/37/426184637.db2.gz	FSFSLOWYPQXJPV-KDOFPFPSSA-N	0	3	305.466	2.943	20	30		DFEDHN
C=CCNC(=O)CN(CCc1ccc(Cl)cc1)CC1CC1	ZINC000078766011	426185254	/nfs/dbraw/zinc/18/52/54/426185254.db2.gz	FDGMOEGVHWAYOX-UHFFFAOYSA-N	0	3	306.837	2.897	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCCN(C3CCCC3)CC2)c1	ZINC000084189898	426234335	/nfs/dbraw/zinc/23/43/35/426234335.db2.gz	LCCTUHDZHNXAPD-UHFFFAOYSA-N	0	3	303.431	2.710	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2cccnn2)CC1	ZINC000118397888	426235143	/nfs/dbraw/zinc/23/51/43/426235143.db2.gz	SYODJNHBTRFMOV-HNNXBMFYSA-N	0	3	307.401	2.622	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccc(-n3ccnc3)cc2)cc1	ZINC000174561874	426259407	/nfs/dbraw/zinc/25/94/07/426259407.db2.gz	QPEYDFXKQADDKO-UHFFFAOYSA-N	0	3	318.380	2.913	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1cccnc1)C(C)C	ZINC000174830076	426266757	/nfs/dbraw/zinc/26/67/57/426266757.db2.gz	AUVLCJYOJDOPEO-SJLPKXTDSA-N	0	3	315.461	3.000	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cn2c(C)cc3ccccc32)CC1	ZINC000171723377	426206876	/nfs/dbraw/zinc/20/68/76/426206876.db2.gz	QGDOUQWVRYWALF-UHFFFAOYSA-N	0	3	311.429	2.716	20	30		DFEDHN
C=CCN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000171722784	426206882	/nfs/dbraw/zinc/20/68/82/426206882.db2.gz	HWKGDXBJJKIHII-UHFFFAOYSA-N	0	3	302.462	2.969	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3cc(F)ccc32)CC1	ZINC000171723751	426206924	/nfs/dbraw/zinc/20/69/24/426206924.db2.gz	QJJITPGKQRMLOI-KRWDZBQOSA-N	0	3	317.408	2.763	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(OC(F)F)c2)CC1	ZINC000171725384	426208089	/nfs/dbraw/zinc/20/80/89/426208089.db2.gz	GZQIHJWEDOQESE-UHFFFAOYSA-N	0	3	310.344	2.668	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1	ZINC000171726965	426208123	/nfs/dbraw/zinc/20/81/23/426208123.db2.gz	RHDSXXXTNRCPMO-IAGOWNOFSA-N	0	3	317.408	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2ccccc2C)CC1	ZINC000171725801	426208130	/nfs/dbraw/zinc/20/81/30/426208130.db2.gz	AMPLIGIJUXPJGD-UHFFFAOYSA-N	0	3	304.459	2.854	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C)CC1	ZINC000171737293	426208435	/nfs/dbraw/zinc/20/84/35/426208435.db2.gz	YPKJXTXGVCERPE-HNNXBMFYSA-N	0	3	313.445	2.966	20	30		DFEDHN
C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	ZINC000171768414	426210666	/nfs/dbraw/zinc/21/06/66/426210666.db2.gz	SPUAEUIJMAQWRM-CYBMUJFWSA-N	0	3	319.405	2.764	20	30		DFEDHN
C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	ZINC000171768412	426210676	/nfs/dbraw/zinc/21/06/76/426210676.db2.gz	SPUAEUIJMAQWRM-ZDUSSCGKSA-N	0	3	319.405	2.764	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(F)c2OCC)CC1	ZINC000080079708	426210957	/nfs/dbraw/zinc/21/09/57/426210957.db2.gz	OMDVGGPHMDCBKI-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@@H]1CSC	ZINC000135454774	426217403	/nfs/dbraw/zinc/21/74/03/426217403.db2.gz	VNTVEPADIHKQJB-CQSZACIVSA-N	0	3	306.431	2.773	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)cc1	ZINC000120680970	426313670	/nfs/dbraw/zinc/31/36/70/426313670.db2.gz	INMSWFMZFFZDTO-AEFFLSMTSA-N	0	3	318.461	2.528	20	30		DFEDHN
CSC[C@](C)(O)CNCc1cccc(OCCCC#N)c1	ZINC000120680812	426313952	/nfs/dbraw/zinc/31/39/52/426313952.db2.gz	BDJBVQGKMRKGME-MRXNPFEDSA-N	0	3	308.447	2.573	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccccn1	ZINC000175674023	426320674	/nfs/dbraw/zinc/32/06/74/426320674.db2.gz	CFKAYHLCQRBBFP-NSHDSACASA-N	0	3	300.387	2.694	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1ccc(C#N)cc1	ZINC000175664008	426320701	/nfs/dbraw/zinc/32/07/01/426320701.db2.gz	MFQPQPYZVMYNKH-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000090451173	426326969	/nfs/dbraw/zinc/32/69/69/426326969.db2.gz	KPXNLACJNDTZIM-CYBMUJFWSA-N	0	3	306.406	2.897	20	30		DFEDHN
C[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H](C)N1C	ZINC000339621980	268850810	/nfs/dbraw/zinc/85/08/10/268850810.db2.gz	WPSDVXZRYMYDTP-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(CCC)nn2C)CC1	ZINC000091035368	426336657	/nfs/dbraw/zinc/33/66/57/426336657.db2.gz	CYCWSTXOYAXWQY-UHFFFAOYSA-N	0	3	319.453	2.535	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1	ZINC000175099564	426278949	/nfs/dbraw/zinc/27/89/49/426278949.db2.gz	UTNGWRSKPIJCJB-KRWDZBQOSA-N	0	3	310.401	2.699	20	30		DFEDHN
CC(C)[C@]1(CO)CCCN(CCOc2ccccc2C#N)C1	ZINC000339712598	268872433	/nfs/dbraw/zinc/87/24/33/268872433.db2.gz	WVNQEEFMHBPPIP-GOSISDBHSA-N	0	3	302.418	2.668	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CCC(C)(c2ccccc2)CC1	ZINC000153763321	426403941	/nfs/dbraw/zinc/40/39/41/426403941.db2.gz	NHGYXDVYASLKJC-MRXNPFEDSA-N	0	3	313.445	2.801	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000152495197	426344443	/nfs/dbraw/zinc/34/44/43/426344443.db2.gz	TVDWHCFNKXMFAK-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)CNc2cccc(C#N)c2)c1	ZINC000152623492	426347771	/nfs/dbraw/zinc/34/77/71/426347771.db2.gz	GLFALRWDKCUSSE-UHFFFAOYSA-N	0	3	308.385	2.670	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1	ZINC000093646259	426358941	/nfs/dbraw/zinc/35/89/41/426358941.db2.gz	WPSMAQWCPLMQKO-UHFFFAOYSA-N	0	3	310.401	2.586	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1OCCCC#N	ZINC000153000699	426365561	/nfs/dbraw/zinc/36/55/61/426365561.db2.gz	WGJAYXHNCWLFQT-PMPSAXMXSA-N	0	3	316.401	2.787	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)Oc2ccccc2C)CC1	ZINC000176523089	426390250	/nfs/dbraw/zinc/39/02/50/426390250.db2.gz	HUFDMJQUIQHGRV-QGZVFWFLSA-N	0	3	316.445	2.919	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)s1	ZINC000153963205	426415999	/nfs/dbraw/zinc/41/59/99/426415999.db2.gz	URDFQEDDJVEZBH-NSHDSACASA-N	0	3	302.378	2.522	20	30		DFEDHN
COc1ccc(OC)c(CCNCc2ccc(C#N)s2)c1	ZINC000176956848	426428699	/nfs/dbraw/zinc/42/86/99/426428699.db2.gz	JIIODDWRADABAK-UHFFFAOYSA-N	0	3	302.399	2.969	20	30		DFEDHN
CCN(CCNCc1ccc(C#N)s1)C(=O)OC(C)(C)C	ZINC000176960982	426428826	/nfs/dbraw/zinc/42/88/26/426428826.db2.gz	YICUATSIFBNDIB-UHFFFAOYSA-N	0	3	309.435	2.966	20	30		DFEDHN
Cc1cccc(C)c1OCCNCc1cnc2ccc(C#N)cn12	ZINC000123402033	426431686	/nfs/dbraw/zinc/43/16/86/426431686.db2.gz	KWACYNLMJOFRGO-UHFFFAOYSA-N	0	3	320.396	2.991	20	30		DFEDHN
C=CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000154298927	426434893	/nfs/dbraw/zinc/43/48/93/426434893.db2.gz	QHDPIDBVACPFLY-UHFFFAOYSA-N	0	3	307.463	2.788	20	30		DFEDHN
COC(=O)COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000341440939	269076954	/nfs/dbraw/zinc/07/69/54/269076954.db2.gz	LXLQBVBMGIXWLN-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000177208154	426454637	/nfs/dbraw/zinc/45/46/37/426454637.db2.gz	KRGVTCNFCGREES-ZIAGYGMSSA-N	0	3	300.402	2.606	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1ccc(F)cc1C#N	ZINC000097473155	426467266	/nfs/dbraw/zinc/46/72/66/426467266.db2.gz	IDASTRXIODMAKP-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1	ZINC000155459195	426471950	/nfs/dbraw/zinc/47/19/50/426471950.db2.gz	PDQVWGSQQJDGHO-PBHICJAKSA-N	0	3	302.418	2.710	20	30		DFEDHN
CC[C@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000177379351	426474055	/nfs/dbraw/zinc/47/40/55/426474055.db2.gz	RRGQNMLUWOLRPA-IEBWSBKVSA-N	0	3	313.445	2.885	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H]1CCc2nnc(C(C)C)n2C1	ZINC000195404827	426524236	/nfs/dbraw/zinc/52/42/36/426524236.db2.gz	SPYDGLHHSOJRHE-INIZCTEOSA-N	0	3	324.428	2.518	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCC[C@H]1O	ZINC000272514519	426544259	/nfs/dbraw/zinc/54/42/59/426544259.db2.gz	XKIDRLIDPRCJIA-SJLPKXTDSA-N	0	3	324.428	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)cc2)CC1	ZINC000264419771	426548907	/nfs/dbraw/zinc/54/89/07/426548907.db2.gz	QSGQSHNPTUARRK-AWEZNQCLSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000177995687	426552563	/nfs/dbraw/zinc/55/25/63/426552563.db2.gz	QQAONZIEELYACF-MSOLQXFVSA-N	0	3	316.445	2.657	20	30		DFEDHN
CN(C(=O)CN1C[C@@H]2CCCC[C@@H]2C1)C1(C#N)CCCCC1	ZINC000177561725	426495476	/nfs/dbraw/zinc/49/54/76/426495476.db2.gz	HHPIEEARNSAKOR-IYBDPMFKSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000194919319	426496150	/nfs/dbraw/zinc/49/61/50/426496150.db2.gz	BIBWYMPYJATLRW-OAHLLOKOSA-N	0	3	304.434	2.958	20	30		DFEDHN
Cn1cc(C2CCN(Cc3ccc(OCC#N)cc3)CC2)cn1	ZINC000264592094	426576506	/nfs/dbraw/zinc/57/65/06/426576506.db2.gz	ZDVVLAYEHICGIS-UHFFFAOYSA-N	0	3	310.401	2.702	20	30		DFEDHN
N#CCCn1cc(CNCCOCC2CC2)c(-c2ccccc2)n1	ZINC000264944827	426580459	/nfs/dbraw/zinc/58/04/59/426580459.db2.gz	HXRGQNMSKMJAML-UHFFFAOYSA-N	0	3	324.428	2.980	20	30		DFEDHN
C=CC[C@H](CO)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C	ZINC000186712311	426582230	/nfs/dbraw/zinc/58/22/30/426582230.db2.gz	BIUNBDRGGRBWKQ-IUODEOHRSA-N	0	3	303.381	2.907	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)c1nc(C(F)(F)F)ccc1C#N	ZINC000265255086	426607860	/nfs/dbraw/zinc/60/78/60/426607860.db2.gz	XDBWNBXDJMWIJF-NSHDSACASA-N	0	3	312.339	2.750	20	30		DFEDHN
C[C@H](CN1CCOCC1)N(CCCC#N)Cc1ccccc1	ZINC000264465065	426560253	/nfs/dbraw/zinc/56/02/53/426560253.db2.gz	LOKIUQQTQZONSB-QGZVFWFLSA-N	0	3	301.434	2.513	20	30		DFEDHN
C=CCCOCCNCc1cc2c(cc1SC)OCCO2	ZINC000229879870	426641802	/nfs/dbraw/zinc/64/18/02/426641802.db2.gz	YSPMBSUHRUYSAI-UHFFFAOYSA-N	0	3	309.431	2.862	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(OC)cc(OC)cc1OC	ZINC000280727702	426642109	/nfs/dbraw/zinc/64/21/09/426642109.db2.gz	VLQHBKDNYWAPDN-ACJLOTCBSA-N	0	3	321.417	2.783	20	30		DFEDHN
COCC[C@@H](NCCOc1ccccc1C#N)c1ccco1	ZINC000273327100	426645056	/nfs/dbraw/zinc/64/50/56/426645056.db2.gz	YCHFSYJPARZWBR-OAHLLOKOSA-N	0	3	300.358	2.897	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)c(OC)cc1OC	ZINC000280740543	426645929	/nfs/dbraw/zinc/64/59/29/426645929.db2.gz	WULQLHLMBMQALF-FZKQIMNGSA-N	0	3	321.417	2.783	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(-c2ccccc2C(=O)OC)o1	ZINC000187379127	426654929	/nfs/dbraw/zinc/65/49/29/426654929.db2.gz	PRYQSUMIYLTJIM-CYBMUJFWSA-N	0	3	315.369	2.760	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](COC)C1	ZINC000265768815	426687048	/nfs/dbraw/zinc/68/70/48/426687048.db2.gz	IJAXBCAYVMIXTE-GJZGRUSLSA-N	0	3	322.474	2.620	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC3(CCCC3)CC2)cc1	ZINC000265643851	426667210	/nfs/dbraw/zinc/66/72/10/426667210.db2.gz	JSLTYOGDIXRHNK-UHFFFAOYSA-N	0	3	311.429	2.831	20	30		DFEDHN
CC[C@@H](COC)NCc1ccc(OC)c(OCCCC#N)c1	ZINC000265717054	426679233	/nfs/dbraw/zinc/67/92/33/426679233.db2.gz	YSXINGUAMKNIJA-HNNXBMFYSA-N	0	3	306.406	2.892	20	30		DFEDHN
CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1CCOC	ZINC000187682204	426685015	/nfs/dbraw/zinc/68/50/15/426685015.db2.gz	HVJBEGDLYRLIOX-YJBOKZPZSA-N	0	3	301.434	2.662	20	30		DFEDHN
C=CCc1cc(CNCC2([S@@](C)=O)CCC2)cc(OC)c1O	ZINC000280653761	426626221	/nfs/dbraw/zinc/62/62/21/426626221.db2.gz	OLXCQHGOHWXHEA-JOCHJYFZSA-N	0	3	323.458	2.520	20	30		DFEDHN
C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)c(F)c1	ZINC000290167801	426708615	/nfs/dbraw/zinc/70/86/15/426708615.db2.gz	DPYFFFUBCOPILM-LSKLOWJMSA-N	0	3	312.344	2.843	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000281311602	426709477	/nfs/dbraw/zinc/70/94/77/426709477.db2.gz	OIMZKZWDKPRXJD-ZDUSSCGKSA-N	0	3	311.385	2.710	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H](C)CCc2cccc(F)c2)C1=O	ZINC000281347170	426715190	/nfs/dbraw/zinc/71/51/90/426715190.db2.gz	TWZMVNBXBODJMM-YOEHRIQHSA-N	0	3	304.409	2.866	20	30		DFEDHN
C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000281359613	426716400	/nfs/dbraw/zinc/71/64/00/426716400.db2.gz	YHOHZDDHEPFHEA-XJKSGUPXSA-N	0	3	313.426	2.595	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000188068778	426719758	/nfs/dbraw/zinc/71/97/58/426719758.db2.gz	GLQUUNYKCUFGHI-GJZGRUSLSA-N	0	3	315.417	2.645	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1	ZINC000245732326	426767119	/nfs/dbraw/zinc/76/71/19/426767119.db2.gz	WEZMJQUZQZDTJX-IXDOHACOSA-N	0	3	318.465	2.579	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)c(OC)c1)C2	ZINC000281840470	426776114	/nfs/dbraw/zinc/77/61/14/426776114.db2.gz	YKQSSZQZDRDNDT-INIZCTEOSA-N	0	3	324.380	2.669	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000274227018	426724771	/nfs/dbraw/zinc/72/47/71/426724771.db2.gz	DCDRPDFYWDPZPL-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
COc1cc(CNCCOc2ccc(Cl)cn2)ccc1C#N	ZINC000281598955	426727540	/nfs/dbraw/zinc/72/75/40/426727540.db2.gz	FTKVJGXMYLXHRO-UHFFFAOYSA-N	0	3	317.776	2.784	20	30		DFEDHN
COc1cc(CN[C@H](C)COCC(F)(F)F)ccc1C#N	ZINC000281650601	426738735	/nfs/dbraw/zinc/73/87/35/426738735.db2.gz	JVNKFRKNITXABJ-SNVBAGLBSA-N	0	3	302.296	2.624	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CCN3CCCC[C@H]3C2)cc1	ZINC000245558693	426753071	/nfs/dbraw/zinc/75/30/71/426753071.db2.gz	KYMDPCMIHMVSKM-IBGZPJMESA-N	0	3	312.461	2.707	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NCCN(C)CC)c1ccc(F)c(F)c1	ZINC000188530839	426762267	/nfs/dbraw/zinc/76/22/67/426762267.db2.gz	VECAROHVGWUGND-OAHLLOKOSA-N	0	3	311.376	2.833	20	30		DFEDHN
C=CCOCCCc1nc(-c2ccc(CN(C)C)cc2)no1	ZINC000267024291	426811584	/nfs/dbraw/zinc/81/15/84/426811584.db2.gz	DBBUWBPMLSFVAY-UHFFFAOYSA-N	0	3	301.390	2.933	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NC2CCN(CCOC(C)C)CC2)n1	ZINC000267095500	426823700	/nfs/dbraw/zinc/82/37/00/426823700.db2.gz	VQTRBFSWOUJABM-UHFFFAOYSA-N	0	3	316.449	2.871	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@]2(CC=CCC2)C1	ZINC000246343826	426823691	/nfs/dbraw/zinc/82/36/91/426823691.db2.gz	IHKBFRNDZODXOG-FUHWJXTLSA-N	0	3	303.450	2.817	20	30		DFEDHN
C=CCNC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000246511789	426840888	/nfs/dbraw/zinc/84/08/88/426840888.db2.gz	QQAONZIEELYACF-QZTJIDSGSA-N	0	3	316.445	2.657	20	30		DFEDHN
CCC[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)OC	ZINC000295180949	426852101	/nfs/dbraw/zinc/85/21/01/426852101.db2.gz	VROCYRFVRWCPJJ-QGZVFWFLSA-N	0	3	312.417	2.863	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2ccccc2)C[C@H]1C	ZINC000246700942	426855556	/nfs/dbraw/zinc/85/55/56/426855556.db2.gz	DTIALAXTWPOWFS-JFIYKMOQSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000282475164	426914830	/nfs/dbraw/zinc/91/48/30/426914830.db2.gz	DVBPGTGSEZHGBS-INIZCTEOSA-N	0	3	316.449	2.952	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)O1	ZINC000189648794	426915711	/nfs/dbraw/zinc/91/57/11/426915711.db2.gz	IONFLFCVCNPCGL-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(C#N)c(C#N)c2)C1	ZINC000291601331	426923992	/nfs/dbraw/zinc/92/39/92/426923992.db2.gz	YJHXNZOGPWYVFE-KRWDZBQOSA-N	0	3	314.364	2.581	20	30		DFEDHN
Cc1nc(NCCCN2CCCO[C@@H](C)C2)c(Cl)cc1C#N	ZINC000290876275	426860479	/nfs/dbraw/zinc/86/04/79/426860479.db2.gz	ACUWKRFGJKAFPZ-LBPRGKRZSA-N	0	3	322.840	2.828	20	30		DFEDHN
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CCOC1	ZINC000246811037	426867356	/nfs/dbraw/zinc/86/73/56/426867356.db2.gz	ABEBLQYLIRSTJU-VXGBXAGGSA-N	0	3	321.808	2.507	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000189534254	426882500	/nfs/dbraw/zinc/88/25/00/426882500.db2.gz	CRHHLAFTKZPFAB-QGZVFWFLSA-N	0	3	313.445	2.682	20	30		DFEDHN
Cn1cc(CNCc2cccc(Br)c2)cc1C#N	ZINC000189590357	426899066	/nfs/dbraw/zinc/89/90/66/426899066.db2.gz	MZZFHPJLBLDJCD-UHFFFAOYSA-N	0	3	304.191	2.949	20	30		DFEDHN
COc1ccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cc1C#N	ZINC000275705095	426903418	/nfs/dbraw/zinc/90/34/18/426903418.db2.gz	XWZYIBLQJZUSMG-PKOBYXMFSA-N	0	3	323.396	2.972	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2C[C@H]3CCCN3C[C@H]2C)c1C	ZINC000247093150	426904035	/nfs/dbraw/zinc/90/40/35/426904035.db2.gz	IETKPVAZBXVTKR-NVXWUHKLSA-N	0	3	315.461	2.642	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NCc1cccc(CN(C)C)c1	ZINC000275746344	426913257	/nfs/dbraw/zinc/91/32/57/426913257.db2.gz	RVHIIQLAVAYSRS-GOSISDBHSA-N	0	3	304.434	2.593	20	30		DFEDHN
C[C@@H](C[C@@H]1COCCN1)Nc1cccc(OCCCC#N)c1	ZINC000317334183	426954112	/nfs/dbraw/zinc/95/41/12/426954112.db2.gz	KXGAXFZLYQIZHP-GOEBONIOSA-N	0	3	303.406	2.548	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@]3(O)CCCC[C@H]3C2)cc1	ZINC000247971057	426971992	/nfs/dbraw/zinc/97/19/92/426971992.db2.gz	JKNANAVUHXNPTG-FUHWJXTLSA-N	0	3	300.402	2.564	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(Cl)sc1Cl	ZINC000328249499	426979039	/nfs/dbraw/zinc/97/90/39/426979039.db2.gz	IUCIVQZIDRVDAW-UHFFFAOYSA-N	0	3	305.230	2.740	20	30		DFEDHN
CC[C@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000291794398	426988711	/nfs/dbraw/zinc/98/87/11/426988711.db2.gz	WMBGIZSJIQDJSB-SFHVURJKSA-N	0	3	310.397	2.998	20	30		DFEDHN
C=CCCN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000276141058	426992569	/nfs/dbraw/zinc/99/25/69/426992569.db2.gz	OJLFVSZMMFCHCV-UHFFFAOYSA-N	0	3	305.422	2.975	20	30		DFEDHN
CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)O	ZINC000268599968	427062957	/nfs/dbraw/zinc/06/29/57/427062957.db2.gz	WNIZUJKFWOUXNJ-UHFFFAOYSA-N	0	3	323.824	2.633	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2coc3ccc(OC)cc32)CC1	ZINC000337861758	427007025	/nfs/dbraw/zinc/00/70/25/427007025.db2.gz	YGIVXCLCQOSKSN-UHFFFAOYSA-N	0	3	314.385	2.822	20	30		DFEDHN
O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)Nc1ccccc1F	ZINC000328903456	427010507	/nfs/dbraw/zinc/01/05/07/427010507.db2.gz	HXLWWOHRFHPFOG-CJNGLKHVSA-N	0	3	305.353	2.901	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21	ZINC000329180299	427062500	/nfs/dbraw/zinc/06/25/00/427062500.db2.gz	DIXSNMGIDSLBSP-KBPBESRZSA-N	0	3	304.438	2.671	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2	ZINC000329125960	427048650	/nfs/dbraw/zinc/04/86/50/427048650.db2.gz	TYNRVCSFLDWBTN-GFCCVEGCSA-N	0	3	305.378	2.614	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000248879387	427055118	/nfs/dbraw/zinc/05/51/18/427055118.db2.gz	RLRPXWALDQULSF-YQQAZPJKSA-N	0	3	301.434	2.771	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000248972747	427069973	/nfs/dbraw/zinc/06/99/73/427069973.db2.gz	DLHHOLXXCBWBMZ-YQQAZPJKSA-N	0	3	322.836	2.529	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C	ZINC000329258034	427075405	/nfs/dbraw/zinc/07/54/05/427075405.db2.gz	YGCAHTCYYJPTGL-WFASDCNBSA-N	0	3	319.453	2.624	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@@H](Oc3ccccn3)C2)cc1	ZINC000268640126	427076060	/nfs/dbraw/zinc/07/60/60/427076060.db2.gz	DKVWPVBHKKJHOX-QGZVFWFLSA-N	0	3	309.369	2.637	20	30		DFEDHN
Cc1csc([C@H](C)NC(=O)N[C@@H](C)C2=CCN(C)CC2)n1	ZINC000329286595	427081629	/nfs/dbraw/zinc/08/16/29/427081629.db2.gz	GYKJNXUQXRXVOF-RYUDHWBXSA-N	0	3	308.451	2.667	20	30		DFEDHN
CC[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1c(C)noc1C	ZINC000329284623	427082025	/nfs/dbraw/zinc/08/20/25/427082025.db2.gz	NXZSWSCVANQGGU-SOUVJXGZSA-N	0	3	320.437	2.683	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329298550	427083494	/nfs/dbraw/zinc/08/34/94/427083494.db2.gz	URGURWRDCJGOTG-GZBFAFLISA-N	0	3	324.469	2.508	20	30		DFEDHN
CC1CCN(CCNC(=O)c2cc3nc[nH]c3cc2F)CC1	ZINC000329374338	427102036	/nfs/dbraw/zinc/10/20/36/427102036.db2.gz	LACUSVHUFWDVRX-UHFFFAOYSA-N	0	3	304.369	2.739	20	30		DFEDHN
CC1CCN(CCNC(=O)c2cc3[nH]cnc3cc2F)CC1	ZINC000329374338	427102042	/nfs/dbraw/zinc/10/20/42/427102042.db2.gz	LACUSVHUFWDVRX-UHFFFAOYSA-N	0	3	304.369	2.739	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(C[C@@H]3Cc4ccccc43)C2)nc1	ZINC000292142508	427106124	/nfs/dbraw/zinc/10/61/24/427106124.db2.gz	JOZAQXYQTFPTEN-IRXDYDNUSA-N	0	3	305.381	2.746	20	30		DFEDHN
CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000276582218	427107584	/nfs/dbraw/zinc/10/75/84/427107584.db2.gz	BQLZJZYSKGXEFK-PXAZEXFGSA-N	0	3	301.365	2.902	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C	ZINC000329402130	427107885	/nfs/dbraw/zinc/10/78/85/427107885.db2.gz	WICXZAXOYYRBOR-IJEWVQPXSA-N	0	3	321.465	2.607	20	30		DFEDHN
C[C@H](CNC(=O)[C@H]1CCn2cncc2C1)N1CCC[C@@H](C)C1	ZINC000329426595	427113093	/nfs/dbraw/zinc/11/30/93/427113093.db2.gz	HBZRTIDMUMXLNX-KFWWJZLASA-N	0	3	304.438	2.522	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)[C@@]12CCCO2	ZINC000329444409	427117511	/nfs/dbraw/zinc/11/75/11/427117511.db2.gz	CDUDZENERZMIJU-SVZOTFJBSA-N	0	3	310.438	2.542	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@@]12CCCO2	ZINC000329446318	427117855	/nfs/dbraw/zinc/11/78/55/427117855.db2.gz	COWUAYNDHFJIHK-OJUAWKFGSA-N	0	3	324.465	2.931	20	30		DFEDHN
CC[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000190473659	427119827	/nfs/dbraw/zinc/11/98/27/427119827.db2.gz	QGVNFQNNLULWHG-OAHLLOKOSA-N	0	3	301.434	2.885	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCO1	ZINC000329490055	427125804	/nfs/dbraw/zinc/12/58/04/427125804.db2.gz	SIHUQYOEEPLGHR-XOSAIJSUSA-N	0	3	323.481	2.566	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCOC2)C1	ZINC000329201330	427063187	/nfs/dbraw/zinc/06/31/87/427063187.db2.gz	XRNQXZVQYNYMIQ-HYVNUMGLSA-N	0	3	317.433	2.505	20	30		DFEDHN
CCCc1nc(C(=O)NCC2(N3CCCC3)CCOCC2)co1	ZINC000329543230	427136938	/nfs/dbraw/zinc/13/69/38/427136938.db2.gz	YEXNKZYPWHBCEW-UHFFFAOYSA-N	0	3	321.421	2.577	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190583680	427140437	/nfs/dbraw/zinc/14/04/37/427140437.db2.gz	OXIZBTMMIPZWPV-WMZOPIPTSA-N	0	3	315.461	2.964	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000190583698	427141804	/nfs/dbraw/zinc/14/18/04/427141804.db2.gz	OXIZBTMMIPZWPV-AEFFLSMTSA-N	0	3	315.461	2.964	20	30		DFEDHN
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[C@H]1O	ZINC000250064159	427153425	/nfs/dbraw/zinc/15/34/25/427153425.db2.gz	NIICSVDNHMAQEG-CRAIPNDOSA-N	0	3	324.428	2.666	20	30		DFEDHN
C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1	ZINC000292274763	427155280	/nfs/dbraw/zinc/15/52/80/427155280.db2.gz	BHNACJRRUFQGCL-KSSFIOAISA-N	0	3	308.381	2.875	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](C)[C@@H](OC)C1	ZINC000251947030	427166064	/nfs/dbraw/zinc/16/60/64/427166064.db2.gz	VBAUAWYNYPRICW-WDYCEAGBSA-N	0	3	319.445	2.512	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000284286109	427174246	/nfs/dbraw/zinc/17/42/46/427174246.db2.gz	KBNJSNSEDCULHF-PJODQICGSA-N	0	3	308.397	2.506	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000277416596	427195942	/nfs/dbraw/zinc/19/59/42/427195942.db2.gz	MAPBWQHJBYBRTA-LJQANCHMSA-N	0	3	308.425	2.603	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000183123965	427203696	/nfs/dbraw/zinc/20/36/96/427203696.db2.gz	GQWMEUFMVVLMKD-OWCLPIDISA-N	0	3	313.449	2.685	20	30		DFEDHN
COc1cc(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc(C)n1	ZINC000330381731	427226300	/nfs/dbraw/zinc/22/63/00/427226300.db2.gz	NQDUHNUQYAZXDI-JSGCOSHPSA-N	0	3	305.422	2.824	20	30		DFEDHN
CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000330423532	427236961	/nfs/dbraw/zinc/23/69/61/427236961.db2.gz	FCMULCDTSAKAGZ-NWDGAFQWSA-N	0	3	321.377	2.781	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000269647076	427237106	/nfs/dbraw/zinc/23/71/06/427237106.db2.gz	HXWVXAQOJUBVSC-CQSZACIVSA-N	0	3	302.422	2.601	20	30		DFEDHN
O=C(NCCN1CCCCC1)Nc1ncc(C(F)(F)F)s1	ZINC000330443658	427238688	/nfs/dbraw/zinc/23/86/88/427238688.db2.gz	QEHLOJQJOVVWKW-UHFFFAOYSA-N	0	3	322.356	2.974	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1cc(C#N)ccc1Cl	ZINC000285489653	427250006	/nfs/dbraw/zinc/25/00/06/427250006.db2.gz	DMZNZXJPDWCJSG-UHFFFAOYSA-N	0	3	305.809	2.625	20	30		DFEDHN
COc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1C#N	ZINC000269701482	427254336	/nfs/dbraw/zinc/25/43/36/427254336.db2.gz	MFGYPEKFAHEPSQ-FUHWJXTLSA-N	0	3	300.402	2.694	20	30		DFEDHN
C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C(C)(F)F	ZINC000293235342	427254817	/nfs/dbraw/zinc/25/48/17/427254817.db2.gz	KWWFEDOKKNBOKQ-CYBMUJFWSA-N	0	3	323.387	2.740	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCCN(CC)C2)cnn1C(C)(C)C	ZINC000330538237	427262220	/nfs/dbraw/zinc/26/22/20/427262220.db2.gz	LERBMSQHAPHHJM-CYBMUJFWSA-N	0	3	306.454	2.989	20	30		DFEDHN
CCOCC(C)(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000293270484	427266950	/nfs/dbraw/zinc/26/69/50/427266950.db2.gz	NKBCTPSYLPBXEQ-UHFFFAOYSA-N	0	3	309.797	2.555	20	30		DFEDHN
Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H](C)CN(C)C	ZINC000330610133	427272401	/nfs/dbraw/zinc/27/24/01/427272401.db2.gz	TVXADUWZCIIHSX-CMPLNLGQSA-N	0	3	311.451	2.600	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000285573924	427274946	/nfs/dbraw/zinc/27/49/46/427274946.db2.gz	HVHMGDSDSOSFPH-XHDPSFHLSA-N	0	3	305.809	2.624	20	30		DFEDHN
COC[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1	ZINC000183476679	427275901	/nfs/dbraw/zinc/27/59/01/427275901.db2.gz	SVZAKPOFYLXFAU-OAHLLOKOSA-N	0	3	313.319	2.951	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)/C=C\c1cccc(C#N)c1	ZINC000255579421	427278681	/nfs/dbraw/zinc/27/86/81/427278681.db2.gz	XWXSKBIFWVCPDD-HJWRWDBZSA-N	0	3	323.396	2.755	20	30		DFEDHN
CC(C)Oc1cncc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1	ZINC000330766012	427301769	/nfs/dbraw/zinc/30/17/69/427301769.db2.gz	KJWRHLVNEVKIBL-ZDUSSCGKSA-N	0	3	303.406	2.824	20	30		DFEDHN
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@@H](C)C2)c(C)c1	ZINC000330774709	427302428	/nfs/dbraw/zinc/30/24/28/427302428.db2.gz	GWWHOHAOXXXKBO-TZMCWYRMSA-N	0	3	303.406	2.695	20	30		DFEDHN
Cc1cccc(NC[C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)n1	ZINC000191304899	427312892	/nfs/dbraw/zinc/31/28/92/427312892.db2.gz	RMSDPYBCAYPJFF-HNNXBMFYSA-N	0	3	309.417	2.534	20	30		DFEDHN
CC1(C)CN(C2(CNC(=O)CCCC#N)CCCCC2)CCO1	ZINC000330887244	427314108	/nfs/dbraw/zinc/31/41/08/427314108.db2.gz	HEHSRFYZRNIWBI-UHFFFAOYSA-N	0	3	321.465	2.610	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cnn1C(C)(C)C	ZINC000330891594	427315603	/nfs/dbraw/zinc/31/56/03/427315603.db2.gz	CRNKMJFHBPPHBF-QWHCGFSZSA-N	0	3	306.454	2.988	20	30		DFEDHN
CC(C)c1cc(C(=O)NCCN2CCCC(C)(C)C2)nn1C	ZINC000330964067	427321539	/nfs/dbraw/zinc/32/15/39/427321539.db2.gz	KPYYZAFPRKZHKM-UHFFFAOYSA-N	0	3	306.454	2.970	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccccc1	ZINC000270334385	427323566	/nfs/dbraw/zinc/32/35/66/427323566.db2.gz	MPAKHXPJAIGLRT-QGZVFWFLSA-N	0	3	301.434	2.733	20	30		DFEDHN
CC(C)Oc1cc(C(=O)NCCN2CCC[C@@H](C)C2)ccn1	ZINC000330983782	427324680	/nfs/dbraw/zinc/32/46/80/427324680.db2.gz	QFZBRSYIAJEULK-CQSZACIVSA-N	0	3	305.422	2.905	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000277811741	427326290	/nfs/dbraw/zinc/32/62/90/427326290.db2.gz	PNDAPVMZXBVYBA-NWDGAFQWSA-N	0	3	317.355	2.935	20	30		DFEDHN
CSc1c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cnn1C	ZINC000331078516	427337402	/nfs/dbraw/zinc/33/74/02/427337402.db2.gz	KGGWQAACXWREQL-NWDGAFQWSA-N	0	3	310.467	2.567	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1	ZINC000270375691	427338610	/nfs/dbraw/zinc/33/86/10/427338610.db2.gz	FBOHUDNSVRGLCM-JCGIZDLHSA-N	0	3	311.429	2.533	20	30		DFEDHN
COc1cccc(F)c1NC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000331140888	427353451	/nfs/dbraw/zinc/35/34/51/427353451.db2.gz	UCLGOWYRILYONP-NSHDSACASA-N	0	3	307.369	2.811	20	30		DFEDHN
COc1cc(C)ccc1NC(=O)NC[C@]1(N(C)C)CCSC1	ZINC000331103186	427344781	/nfs/dbraw/zinc/34/47/81/427344781.db2.gz	DGSPFINNRMHXGM-MRXNPFEDSA-N	0	3	323.462	2.767	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)COc2ccc(C#N)cc2)c1	ZINC000270405897	427346792	/nfs/dbraw/zinc/34/67/92/427346792.db2.gz	XURJZDURVQAJCX-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000191251851	427296756	/nfs/dbraw/zinc/29/67/56/427296756.db2.gz	XHEOZLANHFNZFA-LJQANCHMSA-N	0	3	322.456	2.993	20	30		DFEDHN
CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000191251867	427297378	/nfs/dbraw/zinc/29/73/78/427297378.db2.gz	XHEOZLANHFNZFA-IBGZPJMESA-N	0	3	322.456	2.993	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000331261300	427386831	/nfs/dbraw/zinc/38/68/31/427386831.db2.gz	BVGBPAMLQNHYJV-UHFFFAOYSA-N	0	3	304.781	2.562	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@]1(CO)CC(C)C	ZINC000191656846	427399288	/nfs/dbraw/zinc/39/92/88/427399288.db2.gz	ZTGFCGMEPXDRCT-SFHVURJKSA-N	0	3	302.418	2.940	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1	ZINC000297569984	427413528	/nfs/dbraw/zinc/41/35/28/427413528.db2.gz	SNEWFLBFVWYKKF-JKSUJKDBSA-N	0	3	317.433	2.717	20	30		DFEDHN
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(C#N)c(F)c1	ZINC000293733455	427417121	/nfs/dbraw/zinc/41/71/21/427417121.db2.gz	OOFQKVSBTIYHQD-OLZOCXBDSA-N	0	3	305.397	2.900	20	30		DFEDHN
CCN(CC1CCS(=O)(=O)CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000270433418	427355258	/nfs/dbraw/zinc/35/52/58/427355258.db2.gz	INZBEBZLFILJFA-AWEZNQCLSA-N	0	3	320.458	2.766	20	30		DFEDHN
C=CCOc1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1	ZINC000277927428	427360577	/nfs/dbraw/zinc/36/05/77/427360577.db2.gz	BLMJDGXJBPUGNN-NSHDSACASA-N	0	3	314.263	2.629	20	30		DFEDHN
C=CCOc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1	ZINC000277927428	427360580	/nfs/dbraw/zinc/36/05/80/427360580.db2.gz	BLMJDGXJBPUGNN-NSHDSACASA-N	0	3	314.263	2.629	20	30		DFEDHN
CC(C)(O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000331177333	427364546	/nfs/dbraw/zinc/36/45/46/427364546.db2.gz	FVAGUEGPFYNYAO-JKSUJKDBSA-N	0	3	300.402	2.521	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC(C)(C)O1	ZINC000331196151	427366640	/nfs/dbraw/zinc/36/66/40/427366640.db2.gz	NKVZKZFEPWXAFC-HOCLYGCPSA-N	0	3	300.402	2.785	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)/C=C/c3cccc(C#N)c3)C2)C1	ZINC000293837627	427457161	/nfs/dbraw/zinc/45/71/61/427457161.db2.gz	CHJADNJAJHIUMV-OVKVCFKUSA-N	0	3	309.413	2.516	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1CC	ZINC000192001954	427460950	/nfs/dbraw/zinc/46/09/50/427460950.db2.gz	GBLWWTUVGKMOOZ-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
CC[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(C#N)cc1	ZINC000278818963	427464227	/nfs/dbraw/zinc/46/42/27/427464227.db2.gz	SJPZWJJGUBPXFV-SFHVURJKSA-N	0	3	323.396	2.663	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cn[nH]c1	ZINC000331655787	427471605	/nfs/dbraw/zinc/47/16/05/427471605.db2.gz	VJEMQYRDUALSJB-DOMZBBRYSA-N	0	3	313.380	2.740	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCN1CCOC	ZINC000192140370	427488750	/nfs/dbraw/zinc/48/87/50/427488750.db2.gz	WHGHTNUZVOIXFK-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000331508351	427427278	/nfs/dbraw/zinc/42/72/78/427427278.db2.gz	IDEDSLASZLYFEG-BBRMVZONSA-N	0	3	307.401	2.871	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCc2noc(C)n2)cc1OC	ZINC000271169772	427430497	/nfs/dbraw/zinc/43/04/97/427430497.db2.gz	LWNVVCOIRQGNRE-UHFFFAOYSA-N	0	3	317.389	2.626	20	30		DFEDHN
COc1cc(OC)cc(C2(F)CCN(C(=O)C(C)C#N)CC2)c1	ZINC000338680718	427435536	/nfs/dbraw/zinc/43/55/36/427435536.db2.gz	OCKRDMGHOYGAMJ-LBPRGKRZSA-N	0	3	320.364	2.651	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000338787312	427487472	/nfs/dbraw/zinc/48/74/72/427487472.db2.gz	JWESMJFFSAQWSD-MRXNPFEDSA-N	0	3	317.481	2.898	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)C1	ZINC000338913535	427554518	/nfs/dbraw/zinc/55/45/18/427554518.db2.gz	RKZBMNVDVSSRPU-BFYDXBDKSA-N	0	3	303.450	2.649	20	30		DFEDHN
C=CCN(C(=O)NCCCN1CCc2ccccc2C1)C1CC1	ZINC000271349854	427505439	/nfs/dbraw/zinc/50/54/39/427505439.db2.gz	DAWZHXWAKGJADF-UHFFFAOYSA-N	0	3	313.445	2.795	20	30		DFEDHN
CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)cc1F	ZINC000286368432	427506024	/nfs/dbraw/zinc/50/60/24/427506024.db2.gz	HUHNQTNRRNYAFV-OAHLLOKOSA-N	0	3	303.381	2.578	20	30		DFEDHN
Cc1nsc(NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1C#N	ZINC000286400985	427517359	/nfs/dbraw/zinc/51/73/59/427517359.db2.gz	ZMOJIXIYUQJDMY-HUUCEWRRSA-N	0	3	320.462	2.503	20	30		DFEDHN
C=CCCCNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000279020469	427531562	/nfs/dbraw/zinc/53/15/62/427531562.db2.gz	AFFJFOIGSKTRGQ-UHFFFAOYSA-N	0	3	301.434	2.916	20	30		DFEDHN
COc1ccc(OC)c([C@@H]2CCCN2CCOCCC#N)c1	ZINC000338915592	427555743	/nfs/dbraw/zinc/55/57/43/427555743.db2.gz	GSFIDCBATFGMFY-INIZCTEOSA-N	0	3	304.390	2.771	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@H]2CC[C@H](C#N)C2)CC1	ZINC000339001411	427616361	/nfs/dbraw/zinc/61/63/61/427616361.db2.gz	HIXIWLBUSAVZNJ-RDJZCZTQSA-N	0	3	312.413	2.885	20	30		DFEDHN
COCCN(CCC1(OC)CCC1)Cc1ccc(C#N)cc1	ZINC000338939734	427572810	/nfs/dbraw/zinc/57/28/10/427572810.db2.gz	PRWFPXFVGWCEBO-UHFFFAOYSA-N	0	3	302.418	2.966	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1	ZINC000271818954	427586003	/nfs/dbraw/zinc/58/60/03/427586003.db2.gz	CCEJYLFSJQESED-ZOCIIQOWSA-N	0	3	310.397	2.693	20	30		DFEDHN
C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cccc(C#N)c1	ZINC000271912310	427594784	/nfs/dbraw/zinc/59/47/84/427594784.db2.gz	YDZSLHVGYHXWFW-HNNXBMFYSA-N	0	3	322.412	2.641	20	30		DFEDHN
CC(C)[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000185163072	427606154	/nfs/dbraw/zinc/60/61/54/427606154.db2.gz	FZLOSIBCWSWPHR-ROUUACIJSA-N	0	3	313.445	2.741	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21	ZINC000332750257	427626513	/nfs/dbraw/zinc/62/65/13/427626513.db2.gz	ZRSKHAOVJDSYEL-WNRNVDISSA-N	0	3	312.413	2.833	20	30		DFEDHN
C=CCCC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000264018712	427636099	/nfs/dbraw/zinc/63/60/99/427636099.db2.gz	XIBOBUWRMQGOQE-QGZVFWFLSA-N	0	3	302.418	2.915	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2ncccn2)C1)c1cccc(C#N)c1	ZINC000193010571	427650463	/nfs/dbraw/zinc/65/04/63/427650463.db2.gz	RLGAEYCDVDZWJW-PBHICJAKSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(O)(c3ccccc3)CC2)c1	ZINC000185486502	427661756	/nfs/dbraw/zinc/66/17/56/427661756.db2.gz	UYQOZEKKUAVVBF-UHFFFAOYSA-N	0	3	322.408	2.921	20	30		DFEDHN
C=CCOCCN(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1	ZINC000339110974	427679797	/nfs/dbraw/zinc/67/97/97/427679797.db2.gz	WWRNFDWRLCBTFI-GJZGRUSLSA-N	0	3	312.454	2.795	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@H]1CCC[C@H]1CCO	ZINC000287967438	427722065	/nfs/dbraw/zinc/72/20/65/427722065.db2.gz	ZCTLLIGPZDTQFR-NHYWBVRUSA-N	0	3	323.234	2.961	20	30		DFEDHN
N#Cc1cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)ccn1	ZINC000193483188	427694200	/nfs/dbraw/zinc/69/42/00/427694200.db2.gz	OGRMZSAGGVVUBQ-KRWDZBQOSA-N	0	3	318.380	2.578	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C2CCOCC2)C1	ZINC000339136216	427695835	/nfs/dbraw/zinc/69/58/35/427695835.db2.gz	ZWMRYDDSKFSHGJ-NVXWUHKLSA-N	0	3	308.466	2.548	20	30		DFEDHN
CCN1CCCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000272286780	427698544	/nfs/dbraw/zinc/69/85/44/427698544.db2.gz	LYTXMCZPMQOMQU-UHFFFAOYSA-N	0	3	322.250	2.848	20	30		DFEDHN
CCCCN(CCCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1	ZINC000336845325	427756500	/nfs/dbraw/zinc/75/65/00/427756500.db2.gz	KIHNMHBHUMEJNG-HNNXBMFYSA-N	0	3	314.495	2.996	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C#N	ZINC000336860886	427763993	/nfs/dbraw/zinc/76/39/93/427763993.db2.gz	VVZPGFPXFGDEOW-BRWVUGGUSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CC[C@H]2c2ccccc2)cc1	ZINC000336878101	427770896	/nfs/dbraw/zinc/77/08/96/427770896.db2.gz	BHGNCJPAMAXYEW-QUCCMNQESA-N	0	3	322.408	2.939	20	30		DFEDHN
C[C@@H](NCCOCCC#N)c1ccc(-n2cccn2)c(F)c1	ZINC000339423603	427771737	/nfs/dbraw/zinc/77/17/37/427771737.db2.gz	BSDFGHVDACCXCP-CYBMUJFWSA-N	0	3	302.353	2.592	20	30		DFEDHN
Cc1nnc(NCC(C)(C)N2CCC[C@@H](C)C2)c(C#N)c1C	ZINC000301144748	427778629	/nfs/dbraw/zinc/77/86/29/427778629.db2.gz	AGFZWSWBFOJVQI-GFCCVEGCSA-N	0	3	301.438	2.888	20	30		DFEDHN
COc1cccc([C@@H](CNc2nccnc2C#N)N2CCCC2)c1	ZINC000301182309	427780676	/nfs/dbraw/zinc/78/06/76/427780676.db2.gz	NOZUBKODJSXZKK-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)cn1	ZINC000301323770	427789023	/nfs/dbraw/zinc/78/90/23/427789023.db2.gz	WPAPTDCNGSCALC-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(NC(=O)c2ccccc2)c1	ZINC000339214404	427734079	/nfs/dbraw/zinc/73/40/79/427734079.db2.gz	NFZCEQXGCWYMDW-CYBMUJFWSA-N	0	3	307.353	2.715	20	30		DFEDHN
Cc1nc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)no1	ZINC000339259187	427743835	/nfs/dbraw/zinc/74/38/35/427743835.db2.gz	YKMWVOLBYRJSRL-CQSZACIVSA-N	0	3	312.373	2.502	20	30		DFEDHN
CN(C)CCNc1c(Br)cc(Cl)cc1C#N	ZINC000336766462	427751226	/nfs/dbraw/zinc/75/12/26/427751226.db2.gz	OZXUXLZCIZUPIR-UHFFFAOYSA-N	0	3	302.603	2.948	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1	ZINC000299127687	427753578	/nfs/dbraw/zinc/75/35/78/427753578.db2.gz	CDSBXPQOLAZWJE-UHFFFAOYSA-N	0	3	324.346	2.667	20	30		DFEDHN
C=CCN1CC[C@H](N(CCc2ccccc2)CC(C)C)C1=O	ZINC000337129297	427802661	/nfs/dbraw/zinc/80/26/61/427802661.db2.gz	IHAZYEDHCHXVAC-SFHVURJKSA-N	0	3	300.446	2.974	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC[C@H]2Cc2ccc(F)cc2)C1=O	ZINC000337140523	427804337	/nfs/dbraw/zinc/80/43/37/427804337.db2.gz	RFHNVGDWOWYGHG-DLBZAZTESA-N	0	3	302.393	2.620	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC[C@@H]2Cc2ccc(F)cc2)C1=O	ZINC000337140526	427804499	/nfs/dbraw/zinc/80/44/99/427804499.db2.gz	RFHNVGDWOWYGHG-SJORKVTESA-N	0	3	302.393	2.620	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@H](OCCCC)C2(C)C)C1=O	ZINC000337185307	427811268	/nfs/dbraw/zinc/81/12/68/427811268.db2.gz	OUJVNPVJVXFZQF-JYJNAYRXSA-N	0	3	308.466	2.689	20	30		DFEDHN
N#CC1(CCCN(CCO)Cc2cccc(F)c2)CCOCC1	ZINC000337202090	427814171	/nfs/dbraw/zinc/81/41/71/427814171.db2.gz	GLWHTURYODBUBG-UHFFFAOYSA-N	0	3	320.408	2.721	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c(Cl)c1	ZINC000337249307	427823643	/nfs/dbraw/zinc/82/36/43/427823643.db2.gz	JHVMRODYPIIJOF-UAGQMJEPSA-N	0	3	320.820	2.573	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1	ZINC000301854557	427830261	/nfs/dbraw/zinc/83/02/61/427830261.db2.gz	YKKZNHSQTMBFKR-HNNXBMFYSA-N	0	3	323.444	2.544	20	30		DFEDHN
CN1CCC[C@@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302655333	427854207	/nfs/dbraw/zinc/85/42/07/427854207.db2.gz	KSEOFMYXBOYGMX-CYBMUJFWSA-N	0	3	311.345	2.521	20	30		DFEDHN
N#Cc1cccnc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000349749627	427855336	/nfs/dbraw/zinc/85/53/36/427855336.db2.gz	RXUIORWIELGWPP-RBUKOAKNSA-N	0	3	318.424	2.879	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)C(=O)c2ccc(C#N)o2)c1	ZINC000339916602	427872660	/nfs/dbraw/zinc/87/26/60/427872660.db2.gz	JHPPLDQSKVCXNV-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)CSc1ccc(C#N)cc1	ZINC000340550354	427877895	/nfs/dbraw/zinc/87/78/95/427877895.db2.gz	ISLFBAXBNYLVRR-UHFFFAOYSA-N	0	3	319.474	2.697	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000337452372	427913627	/nfs/dbraw/zinc/91/36/27/427913627.db2.gz	GBXFECDDHBQYNB-CYBMUJFWSA-N	0	3	303.362	2.964	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCOc2c(Br)cccc21	ZINC000337571552	427964116	/nfs/dbraw/zinc/96/41/16/427964116.db2.gz	ZJDYGXITUNNLKJ-KCJUWKMLSA-N	0	3	309.163	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)C(F)(F)F)C(C)C	ZINC000350734893	427968460	/nfs/dbraw/zinc/96/84/60/427968460.db2.gz	CHIZXXAUFMFZDU-OLZOCXBDSA-N	0	3	321.387	2.935	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N(CCOC)CCN(C)C	ZINC000337600965	427974947	/nfs/dbraw/zinc/97/49/47/427974947.db2.gz	MYTCOVUDYHUHTH-UHFFFAOYSA-N	0	3	319.449	2.847	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000369517326	427984615	/nfs/dbraw/zinc/98/46/15/427984615.db2.gz	NCJLCTJNJPINAN-UMVBOHGHSA-N	0	3	320.462	2.542	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)CCc2ccc(C)o2)CC1	ZINC000341104216	427990091	/nfs/dbraw/zinc/99/00/91/427990091.db2.gz	MEDKOADYZJVWSK-CQSZACIVSA-N	0	3	319.449	2.859	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1	ZINC000413218855	427992644	/nfs/dbraw/zinc/99/26/44/427992644.db2.gz	JZFXDFHJUOYXLH-UHFFFAOYSA-N	0	3	324.428	2.942	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000341115094	427993937	/nfs/dbraw/zinc/99/39/37/427993937.db2.gz	DBQKCZVUWQKAAU-ZBFHGGJFSA-N	0	3	317.433	2.533	20	30		DFEDHN
CCc1ccc([C@H](CO)NCCOc2ccccc2C#N)cc1	ZINC000359624436	427940701	/nfs/dbraw/zinc/94/07/01/427940701.db2.gz	ISIZBYNRGCLNME-SFHVURJKSA-N	0	3	310.397	2.823	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000356115408	428027762	/nfs/dbraw/zinc/02/77/62/428027762.db2.gz	IWTLMAOIWPBNBX-SJLPKXTDSA-N	0	3	313.445	2.874	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cnn(-c2ccc(Cl)cc2)c1	ZINC000341297781	428033714	/nfs/dbraw/zinc/03/37/14/428033714.db2.gz	JSOAAJNFKZJBAV-CYBMUJFWSA-N	0	3	305.809	2.800	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@@H]1CCN(CC)C1)c1ccc(F)c(F)c1	ZINC000413463568	428053842	/nfs/dbraw/zinc/05/38/42/428053842.db2.gz	XTFWHMHSMVJKRW-CZUORRHYSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCSC3(CCC3)CC2)CC1	ZINC000413239126	427997094	/nfs/dbraw/zinc/99/70/94/427997094.db2.gz	LYSPFVPINIKYND-UHFFFAOYSA-N	0	3	323.506	2.708	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)N(C)C1CC1	ZINC000413253381	428003227	/nfs/dbraw/zinc/00/32/27/428003227.db2.gz	URWGGPHPFZZBBV-RDJZCZTQSA-N	0	3	315.461	2.956	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccs1	ZINC000369570257	428005063	/nfs/dbraw/zinc/00/50/63/428005063.db2.gz	QLHCFQKUAFSWSX-OCCSQVGLSA-N	0	3	303.431	2.551	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000341189550	428006582	/nfs/dbraw/zinc/00/65/82/428006582.db2.gz	DIDCRQUVNNUIOF-DZGCQCFKSA-N	0	3	303.406	2.856	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)n(C)c2)C1	ZINC000359771759	428013428	/nfs/dbraw/zinc/01/34/28/428013428.db2.gz	VQFRZULZGFIZAI-CRAIPNDOSA-N	0	3	308.429	2.822	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O	ZINC000359793065	428020375	/nfs/dbraw/zinc/02/03/75/428020375.db2.gz	PGKUTSZCLJCIHV-HYJLZEBJSA-N	0	3	313.184	2.570	20	30		DFEDHN
Cc1nsc(NCC2(N3CCCCC3)CCOCC2)c1C#N	ZINC000377157903	428072723	/nfs/dbraw/zinc/07/27/23/428072723.db2.gz	IKJZDCVWGJBDNB-UHFFFAOYSA-N	0	3	320.462	2.770	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C[C@H](CC#N)c1ccccc1	ZINC000356223824	428076858	/nfs/dbraw/zinc/07/68/58/428076858.db2.gz	UFMZRTVAYPKGNF-NJAFHUGGSA-N	0	3	313.445	2.873	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)C1	ZINC000356258567	428092158	/nfs/dbraw/zinc/09/21/58/428092158.db2.gz	PPNNLLMCLKKQOJ-IBGZPJMESA-N	0	3	323.440	2.534	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCN(C(=O)c2ccco2)CC1	ZINC000369996527	428106656	/nfs/dbraw/zinc/10/66/56/428106656.db2.gz	DFOFLXDBYIETPF-UHFFFAOYSA-N	0	3	303.406	2.757	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1	ZINC000356306466	428117489	/nfs/dbraw/zinc/11/74/89/428117489.db2.gz	LJHLTOPKMPBSLO-DOTOQJQBSA-N	0	3	314.429	2.950	20	30		DFEDHN
CCCC[C@H](NCC(C)(C)CCC#N)C(=O)Nc1cc(C)on1	ZINC000352270306	428130711	/nfs/dbraw/zinc/13/07/11/428130711.db2.gz	FENBDIIZJRKCPJ-AWEZNQCLSA-N	0	3	320.437	3.400	20	30		DFEDHN
C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000360061545	428138049	/nfs/dbraw/zinc/13/80/49/428138049.db2.gz	SCILNZBPNNRHNS-YVEFUNNKSA-N	0	3	311.360	2.617	20	30		DFEDHN
C=CCCC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000356354991	428140802	/nfs/dbraw/zinc/14/08/02/428140802.db2.gz	BUWVIBHNAMKUCU-IYBDPMFKSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](N(C)C)C1	ZINC000413823345	428142941	/nfs/dbraw/zinc/14/29/41/428142941.db2.gz	MRWIISMKVAKWTM-MSOLQXFVSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CC)C1	ZINC000413843663	428152324	/nfs/dbraw/zinc/15/23/24/428152324.db2.gz	ZTEOCOBQZHZKMF-IAGOWNOFSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H]2CCCCN2CC)cc1	ZINC000346414126	428163272	/nfs/dbraw/zinc/16/32/72/428163272.db2.gz	FWHZBDGJIFKTOP-MRXNPFEDSA-N	0	3	302.418	2.856	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)CC(C)(C)C#N)c(F)c1	ZINC000413920519	428167150	/nfs/dbraw/zinc/16/71/50/428167150.db2.gz	VRLJDIZPPKXUSY-UHFFFAOYSA-N	0	3	307.369	2.644	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000370433446	428209933	/nfs/dbraw/zinc/20/99/33/428209933.db2.gz	KTQXPXIFERSHIZ-HOCLYGCPSA-N	0	3	319.474	2.844	20	30		DFEDHN
C#C[C@H](C)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000370437138	428210587	/nfs/dbraw/zinc/21/05/87/428210587.db2.gz	SNIFDVIRTIHLFD-JGGQBBKZSA-N	0	3	319.836	2.654	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1ncccc1C(=O)NC)C(C)C	ZINC000360224684	428210836	/nfs/dbraw/zinc/21/08/36/428210836.db2.gz	KKDPFNITHONIGY-INIZCTEOSA-N	0	3	316.449	2.552	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1cccs1)C1CC1	ZINC000341843273	428226625	/nfs/dbraw/zinc/22/66/25/428226625.db2.gz	MPJVURSCJIQTLB-JKSUJKDBSA-N	0	3	305.447	2.843	20	30		DFEDHN
C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)c(F)c1	ZINC000414248462	428241255	/nfs/dbraw/zinc/24/12/55/428241255.db2.gz	DKJWHRHXBCDNER-LLVKDONJSA-N	0	3	312.410	2.561	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000341980794	428266631	/nfs/dbraw/zinc/26/66/31/428266631.db2.gz	BKCCZLNLZYBGSA-HXUWFJFHSA-N	0	3	305.425	2.917	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCCN(c3ccncn3)C2)c1	ZINC000370765981	428295037	/nfs/dbraw/zinc/29/50/37/428295037.db2.gz	HBGJCTBHBIAJNC-QGZVFWFLSA-N	0	3	324.428	2.800	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360302549	428242179	/nfs/dbraw/zinc/24/21/79/428242179.db2.gz	IIOOJHXSTAYJII-YOEHRIQHSA-N	0	3	301.434	2.754	20	30		DFEDHN
CC(C)(C#N)CC(=O)N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1	ZINC000370601695	428249534	/nfs/dbraw/zinc/24/95/34/428249534.db2.gz	KQVSKVKQCJKYIG-IRXDYDNUSA-N	0	3	311.429	2.659	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@H]2CCCCN2Cc2ccccc2)n1	ZINC000341936872	428256393	/nfs/dbraw/zinc/25/63/93/428256393.db2.gz	UOIVBSMANMOUCT-GOSISDBHSA-N	0	3	321.428	3.123	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(C#N)c1	ZINC000370916469	428320164	/nfs/dbraw/zinc/32/01/64/428320164.db2.gz	HWHILVVDPJYMND-RBUKOAKNSA-N	0	3	319.408	2.906	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(C#N)c(F)c3)C[C@@H]1CCCC2	ZINC000342175345	428335087	/nfs/dbraw/zinc/33/50/87/428335087.db2.gz	PSEUDFPENORNDN-YJBOKZPZSA-N	0	3	316.376	2.863	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)NCCNc1ccncc1	ZINC000346755661	428304156	/nfs/dbraw/zinc/30/41/56/428304156.db2.gz	BASNRUYDWSHMMP-UHFFFAOYSA-N	0	3	310.401	2.856	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H]1Cn1nc(C)nc1C	ZINC000371410207	428388155	/nfs/dbraw/zinc/38/81/55/428388155.db2.gz	RMTANPAENMCEAD-GOSISDBHSA-N	0	3	324.428	2.572	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000371496144	428392038	/nfs/dbraw/zinc/39/20/38/428392038.db2.gz	HOWQBIAEXPCDNT-HIFRSBDPSA-N	0	3	307.463	2.958	20	30		DFEDHN
CCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	ZINC000346997854	428402495	/nfs/dbraw/zinc/40/24/95/428402495.db2.gz	UTAWEQUJAQDWRS-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
COc1ccc(C(=O)N2CCCN(CCCCC#N)CC2)cc1	ZINC000371785862	428405540	/nfs/dbraw/zinc/40/55/40/428405540.db2.gz	UKANKMMNQBRCOZ-UHFFFAOYSA-N	0	3	315.417	2.537	20	30		DFEDHN
COc1cc(CN[C@H]2COc3c(C)cccc3C2)ccc1C#N	ZINC000353154404	428409391	/nfs/dbraw/zinc/40/93/91/428409391.db2.gz	OQHZOPHKZRDZJM-QGZVFWFLSA-N	0	3	308.381	2.969	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1	ZINC000371085549	428356715	/nfs/dbraw/zinc/35/67/15/428356715.db2.gz	GNWOFQPCAJRYJO-HXUWFJFHSA-N	0	3	306.409	2.975	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cnc2ccc(C#N)cn12	ZINC000378337876	428368840	/nfs/dbraw/zinc/36/88/40/428368840.db2.gz	BJWZWJXIYOGYRU-IAGOWNOFSA-N	0	3	323.444	2.655	20	30		DFEDHN
Cc1cc(C)n([C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000371160007	428372301	/nfs/dbraw/zinc/37/23/01/428372301.db2.gz	IKIMGMZNOSRBIM-RBUKOAKNSA-N	0	3	324.428	2.742	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(C1)CCCOC2	ZINC000357086156	428382433	/nfs/dbraw/zinc/38/24/33/428382433.db2.gz	DBPLUPOOENMQLG-HKUYNNGSSA-N	0	3	312.413	2.788	20	30		DFEDHN
C=CCc1cc(CNCCOC(F)(F)F)cc(OC)c1O	ZINC000353222835	428435721	/nfs/dbraw/zinc/43/57/21/428435721.db2.gz	HIVXKERPWDJNLC-UHFFFAOYSA-N	0	3	305.296	2.755	20	30		DFEDHN
C=CCN(C(=O)c1ccc[nH]1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372598064	428470394	/nfs/dbraw/zinc/47/03/94/428470394.db2.gz	CWYPOFLRYLACEC-QGZVFWFLSA-N	0	3	309.413	2.917	20	30		DFEDHN
COc1cccc2c1CC[C@H]2NCc1cnc2ccc(C#N)cn12	ZINC000342768987	428449802	/nfs/dbraw/zinc/44/98/02/428449802.db2.gz	PFKBCCRFBFDUSY-QGZVFWFLSA-N	0	3	318.380	2.992	20	30		DFEDHN
COC[C@H](Cc1ccccc1)NCc1cnc2ccc(C#N)cn12	ZINC000342780515	428454264	/nfs/dbraw/zinc/45/42/64/428454264.db2.gz	QETNIWSTDQIVGO-KRWDZBQOSA-N	0	3	320.396	2.553	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N(C)Cc3ccc(C#N)cc3)C2)nn1	ZINC000372584557	428467915	/nfs/dbraw/zinc/46/79/15/428467915.db2.gz	ORKLZWJBHCQACN-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000347036544	428417870	/nfs/dbraw/zinc/41/78/70/428417870.db2.gz	MJRYGZQMMQLGPH-ZJUUUORDSA-N	0	3	300.280	2.965	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000347036541	428418506	/nfs/dbraw/zinc/41/85/06/428418506.db2.gz	MJRYGZQMMQLGPH-UWVGGRQHSA-N	0	3	300.280	2.965	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCCN1CCC	ZINC000342400245	428425220	/nfs/dbraw/zinc/42/52/20/428425220.db2.gz	VAHKOHIBMGSEOY-QGZVFWFLSA-N	0	3	320.433	2.551	20	30		DFEDHN
COc1ccc(Oc2cc(CNC(=O)C(C)C#N)ccn2)cc1	ZINC000347069068	428432100	/nfs/dbraw/zinc/43/21/00/428432100.db2.gz	MWHWQQUMTOMXRE-GFCCVEGCSA-N	0	3	311.341	2.658	20	30		DFEDHN
Cc1ccc(NC[C@H]2CCN(C)[C@H]2c2cccs2)nc1C#N	ZINC000372736889	428497116	/nfs/dbraw/zinc/49/71/16/428497116.db2.gz	FHKNLSKJITXDSX-CXAGYDPISA-N	0	3	312.442	3.428	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C[C@H]21	ZINC000372980259	428510831	/nfs/dbraw/zinc/51/08/31/428510831.db2.gz	NJTAJKCAPNZPAU-RHSMWYFYSA-N	0	3	311.429	2.654	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@@H]2CCc3ccc(C#N)cc32)c1	ZINC000353382490	428516181	/nfs/dbraw/zinc/51/61/81/428516181.db2.gz	HRPLBQRNZAKBTP-YLJYHZDGSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@@H]2CCc3ccc(C#N)cc32)c1	ZINC000353382483	428516264	/nfs/dbraw/zinc/51/62/64/428516264.db2.gz	HRPLBQRNZAKBTP-FXAWDEMLSA-N	0	3	322.408	2.884	20	30		DFEDHN
CCN(Cc1ccc(C(=O)N(CCC#N)CCC#N)cc1)C1CC1	ZINC000357410703	428521032	/nfs/dbraw/zinc/52/10/32/428521032.db2.gz	OGVZDFPJJFJHDJ-UHFFFAOYSA-N	0	3	324.428	2.940	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2nccn2C)C1	ZINC000373226270	428524081	/nfs/dbraw/zinc/52/40/81/428524081.db2.gz	HJKFVQGOWMYKBH-KRWDZBQOSA-N	0	3	309.413	2.812	20	30		DFEDHN
N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2N[C@H](CCO)c2ccco2)O1	ZINC000373238489	428524480	/nfs/dbraw/zinc/52/44/80/428524480.db2.gz	BDKDETZJUSUWEK-OXGONZEZSA-N	0	3	304.390	2.533	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nccnc1C(F)F)C(C)C	ZINC000360879960	428475229	/nfs/dbraw/zinc/47/52/29/428475229.db2.gz	OKGVEIQXLWVWTC-ZDUSSCGKSA-N	0	3	310.392	3.525	20	30		DFEDHN
CC1(C)CN(Cc2ccc(CC#N)cc2)C[C@]2(CCCOC2)O1	ZINC000361610612	428582293	/nfs/dbraw/zinc/58/22/93/428582293.db2.gz	NHIRUNYXIYFEJZ-IBGZPJMESA-N	0	3	314.429	2.913	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](CC)Nc2ccccc2)CC1	ZINC000358233339	428591685	/nfs/dbraw/zinc/59/16/85/428591685.db2.gz	VXLIVJZDGVKLBP-KRWDZBQOSA-N	0	3	301.434	2.644	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1OC	ZINC000361165500	428544559	/nfs/dbraw/zinc/54/45/59/428544559.db2.gz	JQBSTSYECDBIPC-GJZGRUSLSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Sc2ccccc2)CC1	ZINC000357579471	428548601	/nfs/dbraw/zinc/54/86/01/428548601.db2.gz	HKUDBPCWLYFMCY-AWEZNQCLSA-N	0	3	304.459	2.934	20	30		DFEDHN
Cc1c(Cl)cnc(NCCN(C)Cc2ccccc2)c1C#N	ZINC000343515639	428550912	/nfs/dbraw/zinc/55/09/12/428550912.db2.gz	QLGJORSDUAWZRA-UHFFFAOYSA-N	0	3	314.820	3.459	20	30		DFEDHN
C[C@H]1C[C@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000401315196	428554062	/nfs/dbraw/zinc/55/40/62/428554062.db2.gz	YGUOXTHPKJRWPL-GOEBONIOSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCN(CCC)CC2)CC1	ZINC000373346043	428554414	/nfs/dbraw/zinc/55/44/14/428554414.db2.gz	PGKSJYQIVWPRNH-QGZVFWFLSA-N	0	3	321.509	2.607	20	30		DFEDHN
CC#CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000361323103	428557303	/nfs/dbraw/zinc/55/73/03/428557303.db2.gz	BCRPAYIVODSWPE-UHFFFAOYSA-N	0	3	313.445	2.536	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	ZINC000357806225	428565534	/nfs/dbraw/zinc/56/55/34/428565534.db2.gz	YTFKLHHARISAPP-CQSZACIVSA-N	0	3	318.380	2.860	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000415319563	428567412	/nfs/dbraw/zinc/56/74/12/428567412.db2.gz	SYWYYUJEGFCTSK-SFHVURJKSA-N	0	3	320.396	2.875	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)C23CCCN2CCC3)cc1C#N	ZINC000415328447	428569456	/nfs/dbraw/zinc/56/94/56/428569456.db2.gz	LZFNYODVIGRJPM-UHFFFAOYSA-N	0	3	313.401	2.912	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1	ZINC000361566026	428578164	/nfs/dbraw/zinc/57/81/64/428578164.db2.gz	PMOXBZRJFOOVDK-IUCAKERBSA-N	0	3	313.170	2.795	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000353568801	428599973	/nfs/dbraw/zinc/59/99/73/428599973.db2.gz	BMSMSTIHFIIXBV-QWHCGFSZSA-N	0	3	318.396	2.939	20	30		DFEDHN
COc1ccc(CN2CCN(C)C[C@H]2C)cc1OCCCC#N	ZINC000353585301	428607676	/nfs/dbraw/zinc/60/76/76/428607676.db2.gz	QZEQIWLSMNJTHA-OAHLLOKOSA-N	0	3	317.433	2.514	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnc(C)n1)C(C)C	ZINC000362036734	428614482	/nfs/dbraw/zinc/61/44/82/428614482.db2.gz	LTYWZBXAWHAPHL-OAHLLOKOSA-N	0	3	317.437	2.605	20	30		DFEDHN
N#Cc1cccc(CCNC(=O)Nc2ccc3c(c2)CNCC3)c1	ZINC000415900534	428620805	/nfs/dbraw/zinc/62/08/05/428620805.db2.gz	TXZSVACGUYMKLJ-UHFFFAOYSA-N	0	3	320.396	2.568	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1C#N	ZINC000373634174	428624485	/nfs/dbraw/zinc/62/44/85/428624485.db2.gz	MNIVNTUSRZVSAF-MAUKXSAKSA-N	0	3	308.381	2.877	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1C#N	ZINC000373634175	428624642	/nfs/dbraw/zinc/62/46/42/428624642.db2.gz	MNIVNTUSRZVSAF-QAPCUYQASA-N	0	3	308.381	2.877	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)O1	ZINC000344101273	428624672	/nfs/dbraw/zinc/62/46/72/428624672.db2.gz	CVKZQBICBFLRQU-KRWDZBQOSA-N	0	3	302.418	2.964	20	30		DFEDHN
N#Cc1csc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c1	ZINC000344338663	428630270	/nfs/dbraw/zinc/63/02/70/428630270.db2.gz	GEOKZDAUWVPQPB-GJZGRUSLSA-N	0	3	322.380	2.947	20	30		DFEDHN
COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000347968324	428632893	/nfs/dbraw/zinc/63/28/93/428632893.db2.gz	QRACRJRBJXKWQL-KRWDZBQOSA-N	0	3	319.364	2.566	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000348155851	428641761	/nfs/dbraw/zinc/64/17/61/428641761.db2.gz	CHGINUDXWMUKSY-ZBFHGGJFSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=C(C)CN(CCC(=O)Nc1cc(C)on1)Cc1ccccc1	ZINC000348204367	428656351	/nfs/dbraw/zinc/65/63/51/428656351.db2.gz	FQUGMPCBUOGVGF-UHFFFAOYSA-N	0	3	313.401	3.390	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1	ZINC000192813827	274261631	/nfs/dbraw/zinc/26/16/31/274261631.db2.gz	LNFQVTHSOAVIJC-PBHICJAKSA-N	0	3	307.401	2.668	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)C1=O	ZINC000374062710	428661635	/nfs/dbraw/zinc/66/16/35/428661635.db2.gz	SEMZJAJNUFAVHY-KYJSFNMBSA-N	0	3	314.429	2.660	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O	ZINC000374163300	428668722	/nfs/dbraw/zinc/66/87/22/428668722.db2.gz	ONKJXNARNSALRZ-FJIDUMEYSA-N	0	3	322.493	2.673	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000374243901	428670128	/nfs/dbraw/zinc/67/01/28/428670128.db2.gz	KKYJPHMOFJGLHU-MRXNPFEDSA-N	0	3	320.481	2.834	20	30		DFEDHN
C=CC[C@H](CO)CN[C@H](COC)c1cccc(Cl)c1F	ZINC000348387083	428729370	/nfs/dbraw/zinc/72/93/70/428729370.db2.gz	YJKVJBHCSSSMJG-SMDDNHRTSA-N	0	3	301.789	2.941	20	30		DFEDHN
CN(C)[C@H](CC(=O)NC1(C#N)CCSCC1)c1ccccc1	ZINC000416174299	428682352	/nfs/dbraw/zinc/68/23/52/428682352.db2.gz	CBBPJERLZHMHJZ-OAHLLOKOSA-N	0	3	317.458	2.585	20	30		DFEDHN
C[C@H](C#N)CN(C(=O)CCN1CCc2ccccc2C1)C1CC1	ZINC000416182176	428685038	/nfs/dbraw/zinc/68/50/38/428685038.db2.gz	UTGRGIZKPUYMGU-OAHLLOKOSA-N	0	3	311.429	2.585	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](c1ccccc1)N(C)C	ZINC000416221939	428693425	/nfs/dbraw/zinc/69/34/25/428693425.db2.gz	CPBVDZUDAOBZLD-SCTDSRPQSA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H]1OC(F)F)C(=O)Nc1ccccc1C#N	ZINC000348462138	428753094	/nfs/dbraw/zinc/75/30/94/428753094.db2.gz	VZEJOHGSGWBMGE-LEWSCRJBSA-N	0	3	323.343	2.635	20	30		DFEDHN
C[C@H](NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C#N)s1	ZINC000374805897	428755408	/nfs/dbraw/zinc/75/54/08/428755408.db2.gz	CSNLCMOVWXJQOR-ZENOOKHLSA-N	0	3	320.458	2.838	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@H](O)c3ccccc3C2)cc1	ZINC000374821222	428758830	/nfs/dbraw/zinc/75/88/30/428758830.db2.gz	RMFKBGASMIEGIA-IBGZPJMESA-N	0	3	308.381	2.876	20	30		DFEDHN
CC[C@H]1CN(CCC2(C#N)CCCCC2)CCN1C[C@H](C)O	ZINC000411235757	428764619	/nfs/dbraw/zinc/76/46/19/428764619.db2.gz	GSIWZHMOSULVSH-IRXDYDNUSA-N	0	3	307.482	2.628	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C	ZINC000348537747	428778581	/nfs/dbraw/zinc/77/85/81/428778581.db2.gz	YALRFBOOAJHGBB-QMTMVMCOSA-N	0	3	314.429	2.730	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H]1c1ccc(C)cc1	ZINC000374712567	428735971	/nfs/dbraw/zinc/73/59/71/428735971.db2.gz	IWTAPIVQCREFNV-SJORKVTESA-N	0	3	307.459	2.822	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1C	ZINC000358951074	428744442	/nfs/dbraw/zinc/74/44/42/428744442.db2.gz	MJDQIFYVXQPQSE-GOSISDBHSA-N	0	3	313.445	2.764	20	30		DFEDHN
C[C@@H](CCC#N)N1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000411730088	428849219	/nfs/dbraw/zinc/84/92/19/428849219.db2.gz	HFRVLWWNRITULL-HOTGVXAUSA-N	0	3	314.433	2.827	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000362668574	428799518	/nfs/dbraw/zinc/79/95/18/428799518.db2.gz	JWXJOXVBVIPHKM-CYBMUJFWSA-N	0	3	307.463	2.834	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000362672677	428800178	/nfs/dbraw/zinc/80/01/78/428800178.db2.gz	RTOVGPIJBGVAEP-UONOGXRCSA-N	0	3	307.463	2.834	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CCCN(CCC)CC1)c1ccccc1	ZINC000362726627	428802464	/nfs/dbraw/zinc/80/24/64/428802464.db2.gz	QGHKDDOFYSUYSO-GOSISDBHSA-N	0	3	313.445	2.878	20	30		DFEDHN
C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C2CCC2)cc1	ZINC000362873844	428811289	/nfs/dbraw/zinc/81/12/89/428811289.db2.gz	KACRZKBIPWKRBW-ZDUSSCGKSA-N	0	3	321.442	2.560	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H]2OCCc3ccsc32)CC1	ZINC000363368897	428910384	/nfs/dbraw/zinc/91/03/84/428910384.db2.gz	BHIMMDGHOMANSZ-OAHLLOKOSA-N	0	3	320.458	2.519	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1ccc(Br)cc1	ZINC000411768923	428854726	/nfs/dbraw/zinc/85/47/26/428854726.db2.gz	JMWCVZSTNYGUKO-UHFFFAOYSA-N	0	3	309.207	2.733	20	30		DFEDHN
C[C@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C#N)c(F)c1	ZINC000417377436	428864528	/nfs/dbraw/zinc/86/45/28/428864528.db2.gz	FUBSJWWMZQLXCP-ZDUSSCGKSA-N	0	3	320.408	2.916	20	30		DFEDHN
CCCCCCCCC(=O)N1CCCN(CCN(C)C)CC1	ZINC000363380176	428911971	/nfs/dbraw/zinc/91/19/71/428911971.db2.gz	GGARJCWHCFCCSG-UHFFFAOYSA-N	0	3	311.514	2.833	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCSC2(CCC2)CC1	ZINC000411873095	428876173	/nfs/dbraw/zinc/87/61/73/428876173.db2.gz	XGYKFEIQTVYUEH-HNNXBMFYSA-N	0	3	308.491	2.937	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cncc(F)c1	ZINC000348924959	428878652	/nfs/dbraw/zinc/87/86/52/428878652.db2.gz	XDCQTWKNSKNCLX-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC(C2CCC2)C1	ZINC000348996095	428896045	/nfs/dbraw/zinc/89/60/45/428896045.db2.gz	OVUVILJPLCAZGE-GOSISDBHSA-N	0	3	301.430	2.887	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](C)CN1	ZINC000418206760	428899999	/nfs/dbraw/zinc/89/99/99/428899999.db2.gz	ASPGZDUUQYMTPN-HLLBOEOZSA-N	0	3	314.433	2.813	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1	ZINC000375662663	428935047	/nfs/dbraw/zinc/93/50/47/428935047.db2.gz	ZQNMVQZQMDHPIP-AWEZNQCLSA-N	0	3	317.820	2.912	20	30		DFEDHN
CC(C)(C)c1cnc(C(C#N)C(=O)Nc2nncs2)s1	ZINC000419831335	428940340	/nfs/dbraw/zinc/94/03/40/428940340.db2.gz	HNFVUBIKDZTHDA-SSDOTTSWSA-N	0	3	307.404	2.538	20	30		DFEDHN
C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1	ZINC000363578557	428945908	/nfs/dbraw/zinc/94/59/08/428945908.db2.gz	PMXBGBMSBMZPTL-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1cncc(C#N)n1	ZINC000420606648	428960728	/nfs/dbraw/zinc/96/07/28/428960728.db2.gz	YUABFGIEYQUKOL-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1c(C)cccc1C	ZINC000355067255	429026526	/nfs/dbraw/zinc/02/65/26/429026526.db2.gz	UMWSNSWCELHZIF-BBRMVZONSA-N	0	3	301.434	2.962	20	30		DFEDHN
Cc1cccc(C)c1[C@@H](C)NCC(=O)N(CCC#N)CCC#N	ZINC000355067772	429027095	/nfs/dbraw/zinc/02/70/95/429027095.db2.gz	WXZHGLGIPYZPDS-MRXNPFEDSA-N	0	3	312.417	2.610	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccco1	ZINC000355089130	429027202	/nfs/dbraw/zinc/02/72/02/429027202.db2.gz	VZJZSUXLDUXNMK-OLZOCXBDSA-N	0	3	306.410	2.558	20	30		DFEDHN
C=CCOc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1	ZINC000355095729	429028006	/nfs/dbraw/zinc/02/80/06/429028006.db2.gz	CBVDAKRIFUCKKD-IAGOWNOFSA-N	0	3	305.443	2.958	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC(C)(C)C#N)N(C)C	ZINC000355084900	429028597	/nfs/dbraw/zinc/02/85/97/429028597.db2.gz	PJBYQUFRAUHVQZ-HOCLYGCPSA-N	0	3	316.449	2.835	20	30		DFEDHN
C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1O	ZINC000349406125	428980895	/nfs/dbraw/zinc/98/08/95/428980895.db2.gz	KGQIMHWNCVWYBV-MAUKXSAKSA-N	0	3	324.428	2.666	20	30		DFEDHN
C=CCNC(=O)CN(CCC)[C@@H]1C[C@@H](OCC)C12CCCC2	ZINC000354417659	428982625	/nfs/dbraw/zinc/98/26/25/428982625.db2.gz	BLUFOOZMQHHSCA-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000354433221	428983795	/nfs/dbraw/zinc/98/37/95/428983795.db2.gz	NVFGIZOACATFDN-KXBFYZLASA-N	0	3	316.445	2.655	20	30		DFEDHN
COc1ccc([C@H](CO)CNCc2ccc(C#N)c(F)c2)cc1	ZINC000421387028	428991920	/nfs/dbraw/zinc/99/19/20/428991920.db2.gz	SIUYGDCEGILLOF-INIZCTEOSA-N	0	3	314.360	2.572	20	30		DFEDHN
COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1	ZINC000354485742	428991934	/nfs/dbraw/zinc/99/19/34/428991934.db2.gz	AVVGHTCRCIVXBU-WBMJQRKESA-N	0	3	310.353	2.720	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1OC)[C@H]1CCCSC1	ZINC000433191185	429006683	/nfs/dbraw/zinc/00/66/83/429006683.db2.gz	ZKGLNGRBZALGKC-INIZCTEOSA-N	0	3	320.458	2.911	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000424099947	429091222	/nfs/dbraw/zinc/09/12/22/429091222.db2.gz	JROOWKCYWKEYRO-CYBMUJFWSA-N	0	3	314.216	2.673	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1Cl	ZINC000424104020	429091268	/nfs/dbraw/zinc/09/12/68/429091268.db2.gz	OABUJSQHEFWQQH-GOEBONIOSA-N	0	3	319.836	2.895	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1cc(Cl)cc(Cl)c1	ZINC000424102980	429091428	/nfs/dbraw/zinc/09/14/28/429091428.db2.gz	CMQIZCZQPIOZPB-ZDUSSCGKSA-N	0	3	314.216	2.673	20	30		DFEDHN
CC(C)COc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424125348	429093832	/nfs/dbraw/zinc/09/38/32/429093832.db2.gz	QTIWPYYQPGFBSM-YOEHRIQHSA-N	0	3	317.433	2.920	20	30		DFEDHN
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424122152	429094277	/nfs/dbraw/zinc/09/42/77/429094277.db2.gz	IOTXGWPZYUBCRK-SJORKVTESA-N	0	3	301.434	2.796	20	30		DFEDHN
CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424123514	429094715	/nfs/dbraw/zinc/09/47/15/429094715.db2.gz	KZTITEMYDLMCLA-IRXDYDNUSA-N	0	3	301.434	2.925	20	30		DFEDHN
CCCN(CCc1cccc(F)c1)C(=O)[C@@H](N)CCCC#N	ZINC000424118306	429094779	/nfs/dbraw/zinc/09/47/79/429094779.db2.gz	DDRJTCPHNADMBQ-INIZCTEOSA-N	0	3	305.397	2.628	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(OCc2ccccn2)c1	ZINC000424125512	429095317	/nfs/dbraw/zinc/09/53/17/429095317.db2.gz	ADKGHFWFSSNSCM-QGZVFWFLSA-N	0	3	324.384	2.620	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H](N)CCCC#N	ZINC000424135871	429096178	/nfs/dbraw/zinc/09/61/78/429096178.db2.gz	ZYCHNAUGQFONPP-IVMMDQJWSA-N	0	3	303.381	2.551	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H](N)CCCC#N	ZINC000424135875	429096230	/nfs/dbraw/zinc/09/62/30/429096230.db2.gz	ZYCHNAUGQFONPP-XNRPHZJLSA-N	0	3	303.381	2.551	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](CCO)CC1	ZINC000422078914	429047319	/nfs/dbraw/zinc/04/73/19/429047319.db2.gz	USUKFUMAPORGSG-QZTJIDSGSA-N	0	3	314.429	2.770	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OC(C)C)c1	ZINC000355541271	429052491	/nfs/dbraw/zinc/05/24/91/429052491.db2.gz	CPSRAHDQWWJIGC-CQSZACIVSA-N	0	3	311.341	2.762	20	30		DFEDHN
C=C(C)[C@H](N[C@H](C)C[C@H]1COCCN1)c1ccc(F)c(F)c1	ZINC000423049357	429053808	/nfs/dbraw/zinc/05/38/08/429053808.db2.gz	JRXAQSTYSFTXQK-IFIJOSMWSA-N	0	3	310.388	2.939	20	30		DFEDHN
C[C@H](NCCCNCc1cccnc1)c1ccc(C#N)cc1F	ZINC000423189965	429054586	/nfs/dbraw/zinc/05/45/86/429054586.db2.gz	QKEAFOASYOQWQH-AWEZNQCLSA-N	0	3	312.392	2.923	20	30		DFEDHN
CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424135558	429096994	/nfs/dbraw/zinc/09/69/94/429096994.db2.gz	ZFIWOHZZMZRFNB-AWEZNQCLSA-N	0	3	301.390	2.875	20	30		DFEDHN
CCOc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1	ZINC000424063132	429085499	/nfs/dbraw/zinc/08/54/99/429085499.db2.gz	HPTQDSDUHVXWLW-IAGOWNOFSA-N	0	3	315.417	2.770	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Br	ZINC000424069643	429085685	/nfs/dbraw/zinc/08/56/85/429085685.db2.gz	VYXYBVHGQXUXLP-GWCFXTLKSA-N	0	3	324.222	2.647	20	30		DFEDHN
CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1	ZINC000424063134	429086291	/nfs/dbraw/zinc/08/62/91/429086291.db2.gz	HPTQDSDUHVXWLW-IRXDYDNUSA-N	0	3	315.417	2.770	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]2C2CC2)c(OC)c1	ZINC000453031478	429143895	/nfs/dbraw/zinc/14/38/95/429143895.db2.gz	YUUBUCAROYRGQD-IAGOWNOFSA-N	0	3	317.429	2.648	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@@H](OCC2CC2)C1	ZINC000494702436	429145775	/nfs/dbraw/zinc/14/57/75/429145775.db2.gz	IZNVCXPCSSRVMG-QGZVFWFLSA-N	0	3	300.402	2.828	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000424502632	429147668	/nfs/dbraw/zinc/14/76/68/429147668.db2.gz	RJDWOVZUGUZZJK-SJORKVTESA-N	0	3	318.417	2.547	20	30		DFEDHN
C=C(CC)CN[C@H](CCn1cncn1)c1ccc(OC)cc1	ZINC000453363377	429148644	/nfs/dbraw/zinc/14/86/44/429148644.db2.gz	OECNJOYVIVTAMD-QGZVFWFLSA-N	0	3	300.406	2.974	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](N2CCCC2)C1	ZINC000301309598	274922315	/nfs/dbraw/zinc/92/23/15/274922315.db2.gz	XRXRCQDXUUJFGT-LBPRGKRZSA-N	0	3	310.323	2.647	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000453444729	429150001	/nfs/dbraw/zinc/15/00/01/429150001.db2.gz	NKOAWDYKJDTDPG-HRCADAONSA-N	0	3	317.481	2.754	20	30		DFEDHN
Cc1csc([C@H]2CCCCN2C(=O)[C@H](N)CCCC#N)n1	ZINC000424139970	429098506	/nfs/dbraw/zinc/09/85/06/429098506.db2.gz	ATSWVLRYBTXESM-CHWSQXEVSA-N	0	3	306.435	2.526	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1sccc1C#N	ZINC000452346124	429099075	/nfs/dbraw/zinc/09/90/75/429099075.db2.gz	UQQXJRDCEAKDDY-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
C=CCn1cc(CNCC2CCC(C(F)(F)F)CC2)nn1	ZINC000424167526	429105391	/nfs/dbraw/zinc/10/53/91/429105391.db2.gz	CORXLRGIPBVRBZ-UHFFFAOYSA-N	0	3	302.344	2.922	20	30		DFEDHN
CC(C)(C)c1cccc2c1OCCN2C(=O)[C@@H](N)CCCC#N	ZINC000424187460	429106227	/nfs/dbraw/zinc/10/62/27/429106227.db2.gz	IYJXUIKJLRMQOB-AWEZNQCLSA-N	0	3	315.417	2.731	20	30		DFEDHN
Cc1cc(NC2CCN(C3CC3)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413049721	429127867	/nfs/dbraw/zinc/12/78/67/429127867.db2.gz	YRAUUHFJWYIFLG-UHFFFAOYSA-N	0	3	300.362	2.814	20	30		DFEDHN
C=CCN(C)CCc1nc2sc3c(c2c(N)n1)CCCC3	ZINC000494688060	429142122	/nfs/dbraw/zinc/14/21/22/429142122.db2.gz	HBFWQKBHSVNBIX-UHFFFAOYSA-N	0	3	302.447	2.813	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CCOCC1	ZINC000424606087	429162859	/nfs/dbraw/zinc/16/28/59/429162859.db2.gz	JFJJPWWQBRDVKN-HOTGVXAUSA-N	0	3	308.466	2.596	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CCOCC1	ZINC000424583478	429158151	/nfs/dbraw/zinc/15/81/51/429158151.db2.gz	LYHHZYBLRYWSCP-CVEARBPZSA-N	0	3	308.466	2.596	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)ccc1C#N	ZINC000487889347	429171780	/nfs/dbraw/zinc/17/17/80/429171780.db2.gz	OXJYCKCMJWCMQA-SFHVURJKSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000454788559	429172737	/nfs/dbraw/zinc/17/27/37/429172737.db2.gz	BEHWALYCFLSYEN-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
COCCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C	ZINC000487982242	429174879	/nfs/dbraw/zinc/17/48/79/429174879.db2.gz	QOWWEFCLRYQDIV-YOEHRIQHSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000424689577	429175715	/nfs/dbraw/zinc/17/57/15/429175715.db2.gz	PANVETAJYLCWRL-UHFFFAOYSA-N	0	3	300.446	2.804	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1C	ZINC000488043258	429175765	/nfs/dbraw/zinc/17/57/65/429175765.db2.gz	QAXPKKGMFAKBJB-OAHLLOKOSA-N	0	3	323.387	2.932	20	30		DFEDHN
C=C(CC)CNC(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000455168552	429182245	/nfs/dbraw/zinc/18/22/45/429182245.db2.gz	ZLGAQZRAGJTMSD-UHFFFAOYSA-N	0	3	316.449	2.916	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCCN1CC(C)C	ZINC000436157633	429184915	/nfs/dbraw/zinc/18/49/15/429184915.db2.gz	RFCZIFQBHSFFKE-AWEZNQCLSA-N	0	3	303.406	2.700	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1	ZINC000488717951	429191336	/nfs/dbraw/zinc/19/13/36/429191336.db2.gz	FNJMRKCNPKTVMI-QWQRMKEZSA-N	0	3	311.429	2.927	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCN(C(=O)OCC)C2)cc1	ZINC000495425141	429207487	/nfs/dbraw/zinc/20/74/87/429207487.db2.gz	WSRFUFZLRIQAHB-HNNXBMFYSA-N	0	3	304.390	2.572	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000488942450	429208307	/nfs/dbraw/zinc/20/83/07/429208307.db2.gz	MFCBCIDWYRTLHQ-UHFFFAOYSA-N	0	3	301.434	2.765	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000495515977	429216790	/nfs/dbraw/zinc/21/67/90/429216790.db2.gz	XXQAYEICPZYUSS-UHFFFAOYSA-N	0	3	318.417	2.786	20	30		DFEDHN
C=CCCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1	ZINC000489119750	429218747	/nfs/dbraw/zinc/21/87/47/429218747.db2.gz	RNYMZVXJRPLAHE-XHSDSOJGSA-N	0	3	314.495	2.620	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000488808309	429201249	/nfs/dbraw/zinc/20/12/49/429201249.db2.gz	YRHVPEVJSRIXQP-SJLPKXTDSA-N	0	3	309.413	2.849	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724142	429202989	/nfs/dbraw/zinc/20/29/89/429202989.db2.gz	BTUZFVMGJKVTEU-LBPRGKRZSA-N	0	3	320.824	2.964	20	30		DFEDHN
C=CCCCN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495667905	429241386	/nfs/dbraw/zinc/24/13/86/429241386.db2.gz	FALHKQBGRRJGJM-CABCVRRESA-N	0	3	310.438	2.663	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@@H]2CC[C@@H](C#N)C2)C1	ZINC000495661884	429242830	/nfs/dbraw/zinc/24/28/30/429242830.db2.gz	NLEAEEPJZLWECL-CKEIUWERSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@H]1C(NNc2ncccc2F)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000495675851	429243520	/nfs/dbraw/zinc/24/35/20/429243520.db2.gz	DOHHFLUEMQZMAO-VIFPVBQESA-N	0	3	322.340	2.545	20	30		DFEDHN
CCN1CCC(N(C)c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443433974	429250255	/nfs/dbraw/zinc/25/02/55/429250255.db2.gz	HAUSWJRTZLLTPT-UHFFFAOYSA-N	0	3	312.339	2.893	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C	ZINC000443525178	429253887	/nfs/dbraw/zinc/25/38/87/429253887.db2.gz	YENXAYSYUZNPIK-HNNXBMFYSA-N	0	3	322.368	2.850	20	30		DFEDHN
C=C(CC)CN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495735928	429256225	/nfs/dbraw/zinc/25/62/25/429256225.db2.gz	FFWJLZBLDFMXHB-CABCVRRESA-N	0	3	310.438	2.663	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000456299584	429271547	/nfs/dbraw/zinc/27/15/47/429271547.db2.gz	FLRVWGLPUGXWDE-GJYPPUQNSA-N	0	3	311.429	2.517	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000456299586	429271787	/nfs/dbraw/zinc/27/17/87/429271787.db2.gz	FLRVWGLPUGXWDE-JTDSTZFVSA-N	0	3	311.429	2.517	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000448831375	429318599	/nfs/dbraw/zinc/31/85/99/429318599.db2.gz	QRJNZONORHYZRQ-JKIFEVAISA-N	0	3	317.458	2.626	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCc3n[nH]cc3C2)c1Cl	ZINC000365448158	429320465	/nfs/dbraw/zinc/32/04/65/429320465.db2.gz	BAIXYRMOZMSKGV-LLVKDONJSA-N	0	3	304.756	2.721	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1	ZINC000448982441	429322192	/nfs/dbraw/zinc/32/21/92/429322192.db2.gz	KKNSNELVFDCGPX-KXBFYZLASA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCC[C@@H](CO)NC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000456753665	429345242	/nfs/dbraw/zinc/34/52/42/429345242.db2.gz	GPUZXPQZDULIQP-SFHVURJKSA-N	0	3	316.445	2.729	20	30		DFEDHN
N#Cc1ncn(CCN[C@@H](Cc2ccccc2)c2ccccc2)n1	ZINC000507206635	429346676	/nfs/dbraw/zinc/34/66/76/429346676.db2.gz	BQWZPVUORZBXRE-SFHVURJKSA-N	0	3	317.396	2.723	20	30		DFEDHN
C=CCOc1ccc(CN[C@@]2(CCOC)CCOC2)cc1OC	ZINC000447065955	429302452	/nfs/dbraw/zinc/30/24/52/429302452.db2.gz	CIQXRQWSQQOVTJ-SFHVURJKSA-N	0	3	321.417	2.545	20	30		DFEDHN
CC(C)n1cc(C2=CCCN(Cc3cc(C#N)n(C)c3)CC2)nn1	ZINC000448549154	429313677	/nfs/dbraw/zinc/31/36/77/429313677.db2.gz	MEWMWIAPWPJADM-UHFFFAOYSA-N	0	3	324.432	2.749	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000448772962	429316821	/nfs/dbraw/zinc/31/68/21/429316821.db2.gz	FQZZDHYNRWVGDQ-OWLYRPNTSA-N	0	3	314.429	2.529	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000491711762	429396192	/nfs/dbraw/zinc/39/61/92/429396192.db2.gz	XHYXUGFACQYMPL-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
CC[C@@H](CO)N(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000449377008	429401377	/nfs/dbraw/zinc/40/13/77/429401377.db2.gz	QXNMFNKCDUZOKF-HNNXBMFYSA-N	0	3	306.406	2.580	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)S[C@H]1CCCN(Cc2ccccc2)C1	ZINC000491754444	429403405	/nfs/dbraw/zinc/40/34/05/429403405.db2.gz	SUAPCQFBQOOKLQ-WBVHZDCISA-N	0	3	316.470	2.522	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000491768451	429405005	/nfs/dbraw/zinc/40/50/05/429405005.db2.gz	KVYIVZJELYYKFR-UHFFFAOYSA-N	0	3	315.804	2.690	20	30		DFEDHN
C[C@H](C#N)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1	ZINC000456790315	429350173	/nfs/dbraw/zinc/35/01/73/429350173.db2.gz	KWXLZYQPMSTBFV-LLVKDONJSA-N	0	3	321.808	2.911	20	30		DFEDHN
C#CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1	ZINC000491338909	429350155	/nfs/dbraw/zinc/35/01/55/429350155.db2.gz	MKCNTXYDTRNPBZ-YJBOKZPZSA-N	0	3	313.445	2.793	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000449175520	429351463	/nfs/dbraw/zinc/35/14/63/429351463.db2.gz	OKNXTDMOMIXPBP-GJZGRUSLSA-N	0	3	304.438	2.640	20	30		DFEDHN
Cn1ccnc1[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000365623399	429352070	/nfs/dbraw/zinc/35/20/70/429352070.db2.gz	KFUHUSFGJSQIDZ-MRXNPFEDSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=C(C)COCCNCc1cnn(-c2ccc(OC)cc2)c1	ZINC000449183597	429352158	/nfs/dbraw/zinc/35/21/58/429352158.db2.gz	GHPSNUTWTFNHKE-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N1[C@H](C)CC[C@H]1C	ZINC000456844362	429354729	/nfs/dbraw/zinc/35/47/29/429354729.db2.gz	SOKVMQWEIFVZCH-JHJVBQTASA-N	0	3	303.381	2.575	20	30		DFEDHN
C#C[C@H](NC(=O)CN(C)C(C)C)c1ccc(Br)cc1	ZINC000491414522	429357868	/nfs/dbraw/zinc/35/78/68/429357868.db2.gz	CSYBULLUURYHIC-AWEZNQCLSA-N	0	3	323.234	2.580	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000426132659	429367885	/nfs/dbraw/zinc/36/78/85/429367885.db2.gz	ALOBIESVDFZRQF-GFCCVEGCSA-N	0	3	306.797	2.817	20	30		DFEDHN
COC[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456973218	429370915	/nfs/dbraw/zinc/37/09/15/429370915.db2.gz	VNDSULKXQAFJKO-DLBZAZTESA-N	0	3	300.402	2.786	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000456980452	429372785	/nfs/dbraw/zinc/37/27/85/429372785.db2.gz	ORRUHNAPRVVPAT-BRWVUGGUSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000515003431	429373582	/nfs/dbraw/zinc/37/35/82/429373582.db2.gz	PZBJKYRJEBQYGA-RBUKOAKNSA-N	0	3	323.440	2.926	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCC)cc2F)CC1	ZINC000491554844	429374160	/nfs/dbraw/zinc/37/41/60/429374160.db2.gz	MNUFCAXLMJIZKA-UHFFFAOYSA-N	0	3	304.365	2.508	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC(C3CCCCC3)C2)cc1	ZINC000515422065	429376825	/nfs/dbraw/zinc/37/68/25/429376825.db2.gz	YDWNDMLNKJKNBQ-GOSISDBHSA-N	0	3	314.429	2.810	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000491637010	429381607	/nfs/dbraw/zinc/38/16/07/429381607.db2.gz	WKBCMGZRRGXPJZ-RHSMWYFYSA-N	0	3	301.434	2.515	20	30		DFEDHN
C[C@@H]1c2ccccc2O[C@@H]1CNCc1cnc2ccc(C#N)cn12	ZINC000365840003	429384094	/nfs/dbraw/zinc/38/40/94/429384094.db2.gz	WIRNQNJSNGBUJI-FZKQIMNGSA-N	0	3	318.380	2.860	20	30		DFEDHN
C[C@@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1	ZINC000517033357	429384983	/nfs/dbraw/zinc/38/49/83/429384983.db2.gz	IGANVWXNKIESKC-HZPDHXFCSA-N	0	3	301.346	2.514	20	30		DFEDHN
C#C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000491672050	429389264	/nfs/dbraw/zinc/38/92/64/429389264.db2.gz	GQUTYENCAKNMQV-HNNXBMFYSA-N	0	3	308.784	2.611	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC)c1OC	ZINC000449546441	429448440	/nfs/dbraw/zinc/44/84/40/429448440.db2.gz	CAHLZQPPOOQFKS-KGLIPLIRSA-N	0	3	307.390	2.536	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc(C#N)cc1	ZINC000492063604	429460360	/nfs/dbraw/zinc/46/03/60/429460360.db2.gz	CWFJBACCWHKVQB-JWJFLKPDSA-N	0	3	309.413	2.657	20	30		DFEDHN
COc1ccc(CN[C@@H]2COCC2(C)C)cc1OCCCC#N	ZINC000449622743	429463062	/nfs/dbraw/zinc/46/30/62/429463062.db2.gz	FILSSJUUXVLBEH-QGZVFWFLSA-N	0	3	318.417	2.892	20	30		DFEDHN
COc1cc(CN(C)[C@H]2C[C@H](OC)C23CCC3)ccc1C#N	ZINC000449633634	429465462	/nfs/dbraw/zinc/46/54/62/429465462.db2.gz	PWHDJVBXFKSFAK-IRXDYDNUSA-N	0	3	300.402	2.956	20	30		DFEDHN
CN1CCN(CCOc2cccc(C#N)c2)CC12CCCCC2	ZINC000519609038	429469399	/nfs/dbraw/zinc/46/93/99/429469399.db2.gz	LPGDKKOKNSMSLX-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC)c(SC)c2)CC1	ZINC000491819483	429415297	/nfs/dbraw/zinc/41/52/97/429415297.db2.gz	UKJIIKHSKGDEHU-UHFFFAOYSA-N	0	3	318.442	2.701	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1F	ZINC000519657128	429475586	/nfs/dbraw/zinc/47/55/86/429475586.db2.gz	UFVNAKQZBGEGKD-YVEFUNNKSA-N	0	3	309.381	2.914	20	30		DFEDHN
N#CCSCCCN[C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000519720325	429483848	/nfs/dbraw/zinc/48/38/48/429483848.db2.gz	CCSIKQYGLSLTER-CYBMUJFWSA-N	0	3	318.364	2.975	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)c2ccc(C#N)o2)CC1	ZINC000428174339	429497358	/nfs/dbraw/zinc/49/73/58/429497358.db2.gz	DEYJJLIKXVPNRB-UHFFFAOYSA-N	0	3	323.396	2.854	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)C3CN(C4CCCCC4)C3)CC2)c1	ZINC000457648325	429500197	/nfs/dbraw/zinc/50/01/97/429500197.db2.gz	BHKNZFDZOFNPGX-UHFFFAOYSA-N	0	3	323.440	2.928	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](CCCO)C2)cc1OC	ZINC000449790414	429512021	/nfs/dbraw/zinc/51/20/21/429512021.db2.gz	KUCOXBOLHHKBIT-HNNXBMFYSA-N	0	3	305.418	2.854	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC2(CC#N)CC2)c2ccc(F)cc2C1	ZINC000366795026	429516638	/nfs/dbraw/zinc/51/66/38/429516638.db2.gz	ALXCPOAUWQTKGN-QGZVFWFLSA-N	0	3	315.392	2.902	20	30		DFEDHN
C[C@H]1[C@@H](NCc2cccc(C#N)c2)CC(=O)N1Cc1ccccc1	ZINC000366997875	429555247	/nfs/dbraw/zinc/55/52/47/429555247.db2.gz	OLOAGXIQFNYHLY-KXBFYZLASA-N	0	3	319.408	2.837	20	30		DFEDHN
Cc1cc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1C#N	ZINC000428853901	429556306	/nfs/dbraw/zinc/55/63/06/429556306.db2.gz	YROSUOQIGWTGDN-KDOFPFPSSA-N	0	3	307.397	2.614	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCOCC2	ZINC000367009456	429558566	/nfs/dbraw/zinc/55/85/66/429558566.db2.gz	LRYJVXOEYYHTPU-SJORKVTESA-N	0	3	318.392	2.761	20	30		DFEDHN
C=CCCCCCN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1	ZINC000367025523	429560544	/nfs/dbraw/zinc/56/05/44/429560544.db2.gz	AZTUUTQDQWEWKJ-KRWDZBQOSA-N	0	3	306.454	2.889	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000450063674	429563684	/nfs/dbraw/zinc/56/36/84/429563684.db2.gz	YOKCTMKLXCWUOY-BUIAKZPTSA-N	0	3	311.429	2.705	20	30		DFEDHN
Cn1cc(CN2CCC[C@H]3COC[C@H]32)c(-c2ccc(C#N)cc2)n1	ZINC000367091921	429576371	/nfs/dbraw/zinc/57/63/71/429576371.db2.gz	MJGAUBXAJSVXCD-FUHWJXTLSA-N	0	3	322.412	2.570	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000492608310	429576851	/nfs/dbraw/zinc/57/68/51/429576851.db2.gz	LBOMACXIXHJBAT-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
C=CCCCCCN1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000367094039	429577359	/nfs/dbraw/zinc/57/73/59/429577359.db2.gz	WHNUCVLFEHMXAD-QGZVFWFLSA-N	0	3	308.466	2.740	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[C@@H](CO)C1	ZINC000492631889	429582613	/nfs/dbraw/zinc/58/26/13/429582613.db2.gz	QNURIVGJHSCTDL-RCCFBDPRSA-N	0	3	314.429	2.674	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1Cl)c1ccc(F)cc1	ZINC000429194732	429585637	/nfs/dbraw/zinc/58/56/37/429585637.db2.gz	RCHWWFUNNZXYLI-AWEZNQCLSA-N	0	3	318.783	3.461	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCCN(C3CCCC3)CC2)CC12CCCC2	ZINC000449911873	429536764	/nfs/dbraw/zinc/53/67/64/429536764.db2.gz	JJAQWLSJALZIMH-IBGZPJMESA-N	0	3	315.461	2.937	20	30		DFEDHN
CC(C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000521189616	429540937	/nfs/dbraw/zinc/54/09/37/429540937.db2.gz	KNRKMYJXPRSPLP-IBGZPJMESA-N	0	3	313.445	2.953	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1ccnc(C#N)c1	ZINC000367326328	429623499	/nfs/dbraw/zinc/62/34/99/429623499.db2.gz	JPFWNAPYSGLOOZ-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000367377690	429634136	/nfs/dbraw/zinc/63/41/36/429634136.db2.gz	MAHVEDUNKNVUGC-SFHVURJKSA-N	0	3	322.408	2.903	20	30		DFEDHN
CC#CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000458404125	429634857	/nfs/dbraw/zinc/63/48/57/429634857.db2.gz	JFXMPDOCVGJKFQ-INIZCTEOSA-N	0	3	313.445	2.877	20	30		DFEDHN
C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000450541889	429643152	/nfs/dbraw/zinc/64/31/52/429643152.db2.gz	SBNXWXFNGSJLBK-ZDUSSCGKSA-N	0	3	314.389	2.777	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC3(CCOCC3)CC2)cc1	ZINC000367459299	429651203	/nfs/dbraw/zinc/65/12/03/429651203.db2.gz	SCCIYRMSDRBWIO-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
CN(CCCC1(C#N)CCOCC1)[C@@H]1CCCc2c1cnn2C	ZINC000367201486	429595494	/nfs/dbraw/zinc/59/54/94/429595494.db2.gz	SXAXLLYGJAPFKR-MRXNPFEDSA-N	0	3	316.449	2.830	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1Cl)c1ccccc1	ZINC000429343929	429601410	/nfs/dbraw/zinc/60/14/10/429601410.db2.gz	JSBWSHWXGFEYCY-AWEZNQCLSA-N	0	3	300.793	3.321	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367533213	429665136	/nfs/dbraw/zinc/66/51/36/429665136.db2.gz	IXTNBAMMSIUIDR-GDBMZVCRSA-N	0	3	320.383	2.672	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CCOCC3CCCC3)C2)nc1	ZINC000459492478	429698673	/nfs/dbraw/zinc/69/86/73/429698673.db2.gz	NRUNIISGXNPDON-KRWDZBQOSA-N	0	3	315.417	2.613	20	30		DFEDHN
C=CCC(C)(C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000292313614	335087692	/nfs/dbraw/zinc/08/76/92/335087692.db2.gz	QWRRHYRIPCYNKZ-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000459770655	429702168	/nfs/dbraw/zinc/70/21/68/429702168.db2.gz	HSCPJXRFWMXBLM-KMUNFCNLSA-N	0	3	321.808	2.696	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)C[C@H](C)C(=O)OC(C)(C)C	ZINC000459828436	429702183	/nfs/dbraw/zinc/70/21/83/429702183.db2.gz	ODHDEUVIGVKRCN-ZDUSSCGKSA-N	0	3	318.417	2.976	20	30		DFEDHN
C[C@@H](CN(C)CCOc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000459816811	429702543	/nfs/dbraw/zinc/70/25/43/429702543.db2.gz	WQCYBRXSRUHZOW-AWEZNQCLSA-N	0	3	318.417	2.847	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1cscc1C#N	ZINC000459882610	429703279	/nfs/dbraw/zinc/70/32/79/429703279.db2.gz	FARFZQAVPYRJTJ-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCCC[C@H]1C	ZINC000479336597	429719641	/nfs/dbraw/zinc/71/96/41/429719641.db2.gz	AAULDQYPAOBWGN-HUUCEWRRSA-N	0	3	308.470	2.878	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)c2nc(C(F)(F)F)ccc2C#N)C1	ZINC000450955044	429738920	/nfs/dbraw/zinc/73/89/20/429738920.db2.gz	OYJXESUVFBWMPP-LBPRGKRZSA-N	0	3	312.339	2.891	20	30		DFEDHN
CC(C)C[C@@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1	ZINC000450991748	429746993	/nfs/dbraw/zinc/74/69/93/429746993.db2.gz	XFKQFCFMDUPVFP-SJORKVTESA-N	0	3	302.418	2.624	20	30		DFEDHN
N#Cc1cccnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000368133206	429795947	/nfs/dbraw/zinc/79/59/47/429795947.db2.gz	UAVGWHYYCNDKNN-OALUTQOASA-N	0	3	318.424	2.912	20	30		DFEDHN
CCCCCCC[C@@H](C)NCc1cn([C@@H]2COC[C@H]2OC)nn1	ZINC000367941662	429749525	/nfs/dbraw/zinc/74/95/25/429749525.db2.gz	JHHCRCGQEVUHBV-DJIMGWMZSA-N	0	3	324.469	2.703	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCc1cscn1	ZINC000451036962	429753620	/nfs/dbraw/zinc/75/36/20/429753620.db2.gz	HFVUDWYIYIXAKT-UHFFFAOYSA-N	0	3	301.415	2.706	20	30		DFEDHN
C=CCC1(C(=O)NCCCN2CCCO[C@H](C)C2)CCCC1	ZINC000451189546	429783248	/nfs/dbraw/zinc/78/32/48/429783248.db2.gz	FPDWBHBLFCLDFL-MRXNPFEDSA-N	0	3	308.466	2.740	20	30		DFEDHN
C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000493572301	429788859	/nfs/dbraw/zinc/78/88/59/429788859.db2.gz	JZAZYMJGFBEPCC-GDBMZVCRSA-N	0	3	310.344	2.800	20	30		DFEDHN
CC(C)O[C@@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C1(C)C	ZINC000451492754	429835183	/nfs/dbraw/zinc/83/51/83/429835183.db2.gz	GDUHIBLSLLSQKL-HZPDHXFCSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](OC)[C@@H](C)C1	ZINC000451542722	429847025	/nfs/dbraw/zinc/84/70/25/429847025.db2.gz	KHCFWDUMBAIWQR-JQHSSLGASA-N	0	3	319.445	2.512	20	30		DFEDHN
N#CCSCCCN1CCC(CO)(Nc2ccccc2)CC1	ZINC000368433870	429848075	/nfs/dbraw/zinc/84/80/75/429848075.db2.gz	NXECLJUUDCSUDT-UHFFFAOYSA-N	0	3	319.474	2.572	20	30		DFEDHN
CC(C)[C@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000528125934	429851606	/nfs/dbraw/zinc/85/16/06/429851606.db2.gz	MCKDDHCVYXOOPJ-QGZVFWFLSA-N	0	3	321.428	2.695	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1	ZINC000494374036	429869573	/nfs/dbraw/zinc/86/95/73/429869573.db2.gz	HMBIXFQEBQCNDA-ZQIUZPCESA-N	0	3	312.417	2.752	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000451338100	429813622	/nfs/dbraw/zinc/81/36/22/429813622.db2.gz	GRALZYIHWMBWTO-FJIDUMEYSA-N	0	3	322.493	2.815	20	30		DFEDHN
COc1ccccc1[C@@H]1CCCN1C[C@H](O)CC1(C#N)CC1	ZINC000528371306	429881769	/nfs/dbraw/zinc/88/17/69/429881769.db2.gz	HLJNEQUCERXUPO-ZBFHGGJFSA-N	0	3	300.402	2.887	20	30		DFEDHN
CC#CCCN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000368652036	429883060	/nfs/dbraw/zinc/88/30/60/429883060.db2.gz	XRXQXQMNNVUNOI-UHFFFAOYSA-N	0	3	309.413	2.729	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(OCC3CCCC3)CC2)CC1	ZINC000528400540	429885549	/nfs/dbraw/zinc/88/55/49/429885549.db2.gz	OCVBLNUKPLTKTJ-MRXNPFEDSA-N	0	3	306.450	2.712	20	30		DFEDHN
N#CCc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1	ZINC000528884742	429928784	/nfs/dbraw/zinc/92/87/84/429928784.db2.gz	KZQWORDSEFGEGI-QGZVFWFLSA-N	0	3	312.417	2.891	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@H](C)C1(F)F	ZINC000528583260	429900923	/nfs/dbraw/zinc/90/09/23/429900923.db2.gz	PJWSVMPIVRKCQD-VNHYZAJKSA-N	0	3	324.371	2.521	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@H](c3cn(C)c4ccccc34)C2)C1=O	ZINC000369058671	429909813	/nfs/dbraw/zinc/90/98/13/429909813.db2.gz	YQGFINIFCFLLFX-KXBFYZLASA-N	0	3	323.440	2.755	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(N2CCOCC2)CC1	ZINC000528729341	429910812	/nfs/dbraw/zinc/91/08/12/429910812.db2.gz	RMSVAQOZOWVQPD-INIZCTEOSA-N	0	3	313.445	2.806	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2cc(C)cn2)CC1	ZINC000369273515	429922038	/nfs/dbraw/zinc/92/20/38/429922038.db2.gz	HECVRLYBFQTXRH-MRXNPFEDSA-N	0	3	318.465	2.642	20	30		DFEDHN
Cc1cc(CN2CCC(OC[C@@H]3CCOC3)CC2)ccc1C#N	ZINC000573512846	429958832	/nfs/dbraw/zinc/95/88/32/429958832.db2.gz	IQJQAOJEBDBCPA-QGZVFWFLSA-N	0	3	314.429	2.884	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637024684	429969441	/nfs/dbraw/zinc/96/94/41/429969441.db2.gz	UNINEFCXPDXLIL-LTIDMASMSA-N	0	3	323.481	2.672	20	30		DFEDHN
C=CCN(CC(=O)NC(=O)NC1CCCC1)CC1CCCCC1	ZINC000558435912	429973045	/nfs/dbraw/zinc/97/30/45/429973045.db2.gz	RUACJTGEXMFAAX-UHFFFAOYSA-N	0	3	321.465	2.823	20	30		DFEDHN
C=CCCCCNC(=O)N(C)[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637055563	429974358	/nfs/dbraw/zinc/97/43/58/429974358.db2.gz	IJNGCARPUGAUQN-YESZJQIVSA-N	0	3	323.481	2.626	20	30		DFEDHN
CCCn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000573700076	429975557	/nfs/dbraw/zinc/97/55/57/429975557.db2.gz	VVIFXFSNZQICSR-GFCCVEGCSA-N	0	3	307.357	2.670	20	30		DFEDHN
Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H](N)CCCC#N)C2)cc1	ZINC000573198076	429933033	/nfs/dbraw/zinc/93/30/33/429933033.db2.gz	XYQRBMQJGDVLQO-MSOLQXFVSA-N	0	3	313.445	2.797	20	30		DFEDHN
C=C(C)CN(CCCC(=O)N(C)C)Cc1cnn(C(C)C)c1	ZINC000573383800	429949397	/nfs/dbraw/zinc/94/93/97/429949397.db2.gz	HOLCOCVHSXRLSF-UHFFFAOYSA-N	0	3	306.454	2.711	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000560379069	430037396	/nfs/dbraw/zinc/03/73/96/430037396.db2.gz	MUUXVPSEHZLLKT-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000573947350	429997474	/nfs/dbraw/zinc/99/74/74/429997474.db2.gz	SNPVHRQHFGBPSW-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN([C@H]2CC[C@H](C#N)C2)CC1	ZINC000559075130	429997796	/nfs/dbraw/zinc/99/77/96/429997796.db2.gz	LDUGTCFTZTUKQK-IRXDYDNUSA-N	0	3	315.465	2.664	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1ccc(C#N)cc1	ZINC000574270669	430026012	/nfs/dbraw/zinc/02/60/12/430026012.db2.gz	HEJKRBSUULJFEL-LJQANCHMSA-N	0	3	322.408	2.816	20	30		DFEDHN
N#CCc1cccc(NC[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000574270552	430026282	/nfs/dbraw/zinc/02/62/82/430026282.db2.gz	CXQLVUXOTYXISH-FQEVSTJZSA-N	0	3	321.424	2.584	20	30		DFEDHN
COc1ccccc1[C@H](CNc1cncc(C#N)n1)N1CCCC1	ZINC000561450827	430091920	/nfs/dbraw/zinc/09/19/20/430091920.db2.gz	SVXDDUKZRFYRBA-INIZCTEOSA-N	0	3	323.400	2.606	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)C[C@H]2CC)cc1OC	ZINC000576059282	430101410	/nfs/dbraw/zinc/10/14/10/430101410.db2.gz	XQHGXYKZMSIBSU-MRXNPFEDSA-N	0	3	304.434	2.786	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1	ZINC000574545418	430050750	/nfs/dbraw/zinc/05/07/50/430050750.db2.gz	IAYICHBMVANGEM-UHFFFAOYSA-N	0	3	301.390	2.599	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CCNC(C)=O)C2)cc1	ZINC000574677654	430051810	/nfs/dbraw/zinc/05/18/10/430051810.db2.gz	JZGBILIZZISKQK-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC(C)Cn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000574988303	430054773	/nfs/dbraw/zinc/05/47/73/430054773.db2.gz	WQBHPCBDRVOHFH-CYBMUJFWSA-N	0	3	321.384	2.916	20	30		DFEDHN
N#CCCNC1CCN(Cc2cccc(Br)c2)CC1	ZINC000575248369	430057584	/nfs/dbraw/zinc/05/75/84/430057584.db2.gz	FKUHZPFAZDEPKD-UHFFFAOYSA-N	0	3	322.250	2.917	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)C[C@H](CC(F)(F)F)[C@@H]2C)C1=O	ZINC000640026293	430061697	/nfs/dbraw/zinc/06/16/97/430061697.db2.gz	ZGCOYPJWYVCPBO-XQHKEYJVSA-N	0	3	304.356	2.825	20	30		DFEDHN
COCc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1C#N	ZINC000529817413	430071079	/nfs/dbraw/zinc/07/10/79/430071079.db2.gz	MHYAMCVLPDUXOS-QGZVFWFLSA-N	0	3	313.401	2.518	20	30		DFEDHN
CN(C)[C@@H](CNc1cnc(C#N)cn1)c1ccc(Cl)cc1	ZINC000532423081	430153763	/nfs/dbraw/zinc/15/37/63/430153763.db2.gz	BABXPLICCOUKHZ-AWEZNQCLSA-N	0	3	301.781	2.716	20	30		DFEDHN
Cc1nc(Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1C#N	ZINC000579185458	430124701	/nfs/dbraw/zinc/12/47/01/430124701.db2.gz	HISMHSWKKMGFIM-INIZCTEOSA-N	0	3	308.385	3.391	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)NC(=O)NC2CCCC2)CCCC1(C)C	ZINC000580518173	430132627	/nfs/dbraw/zinc/13/26/27/430132627.db2.gz	YHZURMKSUFGFRY-HNNXBMFYSA-N	0	3	321.465	2.822	20	30		DFEDHN
C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N(C)Cc1ccccc1	ZINC000531157246	430132973	/nfs/dbraw/zinc/13/29/73/430132973.db2.gz	CGWIEERJVVORBU-INIZCTEOSA-N	0	3	321.424	2.737	20	30		DFEDHN
Cc1ccsc1CNC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000580666944	430142714	/nfs/dbraw/zinc/14/27/14/430142714.db2.gz	JCCIJRBBNUPIGN-OAHLLOKOSA-N	0	3	316.426	2.652	20	30		DFEDHN
CCO[C@H]1C[C@@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000562535138	430144152	/nfs/dbraw/zinc/14/41/52/430144152.db2.gz	YUJNCUCERXTYJS-IRXDYDNUSA-N	0	3	310.401	2.731	20	30		DFEDHN
CN1CCC[C@]2(CCN(c3nc4c(cc3C#N)CCCC4)C2)C1	ZINC000292637604	277087260	/nfs/dbraw/zinc/08/72/60/277087260.db2.gz	APJUQJSSLLMQJL-IBGZPJMESA-N	0	3	310.445	2.754	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C1=CCN(C)CC1	ZINC000541901163	430195078	/nfs/dbraw/zinc/19/50/78/430195078.db2.gz	OKAVVSGUCSANNW-NSHDSACASA-N	0	3	303.793	2.592	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1cnc(C)s1	ZINC000564846783	430200350	/nfs/dbraw/zinc/20/03/50/430200350.db2.gz	SJWMXNXUUXPVPI-HNNXBMFYSA-N	0	3	318.442	2.710	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000564725230	430196785	/nfs/dbraw/zinc/19/67/85/430196785.db2.gz	RQFYRDMZNMJKQR-HZPDHXFCSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCC(C)(C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000292126678	335088364	/nfs/dbraw/zinc/08/83/64/335088364.db2.gz	BLAUCNYXEUXXQL-UHFFFAOYSA-N	0	3	304.434	2.846	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(O[C@H]2CCOC2)c1	ZINC000567212408	430279411	/nfs/dbraw/zinc/27/94/11/430279411.db2.gz	PFGSSNBDOMXQHH-OIISXLGYSA-N	0	3	300.402	2.945	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000544450495	430283245	/nfs/dbraw/zinc/28/32/45/430283245.db2.gz	BOFCARRXABTSKP-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000567708070	430286772	/nfs/dbraw/zinc/28/67/72/430286772.db2.gz	SZXSMFQWLWBVFQ-CVEARBPZSA-N	0	3	309.841	2.587	20	30		DFEDHN
N#CCc1ccc(CNCc2ccccc2N2CCOCC2)cc1	ZINC000567853512	430291357	/nfs/dbraw/zinc/29/13/57/430291357.db2.gz	DXEDTQDBLKCCJV-UHFFFAOYSA-N	0	3	321.424	2.879	20	30		DFEDHN
C[C@@H]1CN(c2cccc(C(F)F)c2C#N)CCN1CC(C)(C)O	ZINC000582915102	430346802	/nfs/dbraw/zinc/34/68/02/430346802.db2.gz	ARXCMNPRKVWMLF-GFCCVEGCSA-N	0	3	323.387	2.777	20	30		DFEDHN
CC(C)N1CC[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O	ZINC000568702622	430383656	/nfs/dbraw/zinc/38/36/56/430383656.db2.gz	YZCUDBJLQXSNKI-ROUUACIJSA-N	0	3	311.429	2.925	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)c2cccc(C(F)F)c2C#N)N(C)C1	ZINC000569237549	430435451	/nfs/dbraw/zinc/43/54/51/430435451.db2.gz	GALAECRPANULLZ-RYUDHWBXSA-N	0	3	309.360	2.651	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000583874886	430436424	/nfs/dbraw/zinc/43/64/24/430436424.db2.gz	NTBSRTDEMJAFOX-OAHLLOKOSA-N	0	3	315.373	2.715	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@H](N)CN(C)Cc1ccccc1	ZINC000638865491	430460446	/nfs/dbraw/zinc/46/04/46/430460446.db2.gz	HZDWANVDMIYZOT-QGZVFWFLSA-N	0	3	317.477	2.554	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1	ZINC000641768552	430467047	/nfs/dbraw/zinc/46/70/47/430467047.db2.gz	CAOSDUJNZNFBDV-GDBMZVCRSA-N	0	3	305.418	2.736	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(-c2scnc2C)cc1	ZINC000641768132	430467413	/nfs/dbraw/zinc/46/74/13/430467413.db2.gz	XBJOYOJCIQSVRR-INIZCTEOSA-N	0	3	300.427	2.982	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000599312136	430529366	/nfs/dbraw/zinc/52/93/66/430529366.db2.gz	QNLHEUWEJVITKD-MRXNPFEDSA-N	0	3	315.373	2.614	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C	ZINC000279194639	277808386	/nfs/dbraw/zinc/80/83/86/277808386.db2.gz	NGWJHQDECGIXOL-NVXWUHKLSA-N	0	3	302.418	2.976	20	30		DFEDHN
C=CCC1(CNCc2ccc(S(N)(=O)=O)s2)CCCC1	ZINC000639254650	430590062	/nfs/dbraw/zinc/59/00/62/430590062.db2.gz	ZOIHUIKUDYWCPM-UHFFFAOYSA-N	0	3	314.476	2.622	20	30		DFEDHN
C[C@@H](CCC#N)CNc1cc(N(C)C)c(Br)cn1	ZINC000602683243	430543442	/nfs/dbraw/zinc/54/34/42/430543442.db2.gz	UKMUKMGZRUDSTF-JTQLQIEISA-N	0	3	311.227	3.262	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CN1CC[C@H](C)C1	ZINC000553393632	430616164	/nfs/dbraw/zinc/61/61/64/430616164.db2.gz	XUZFKINYNMWZIB-HNNXBMFYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CCOc1ccc(CN2CCCC[C@H]2CNC(C)=O)cc1	ZINC000639369119	430623736	/nfs/dbraw/zinc/62/37/36/430623736.db2.gz	CCFMKGNXCYATQE-KRWDZBQOSA-N	0	3	302.418	2.742	20	30		DFEDHN
CC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccc(OC)cc1	ZINC000571415541	430626230	/nfs/dbraw/zinc/62/62/30/430626230.db2.gz	ZGIVCMNRUSZTQP-QGZVFWFLSA-N	0	3	321.384	2.850	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@](O)(CC)C2)cc(OC)c1O	ZINC000639385965	430629027	/nfs/dbraw/zinc/62/90/27/430629027.db2.gz	WPZBXKZDXRSTMZ-GOSISDBHSA-N	0	3	305.418	2.866	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(Cl)ccc1Br	ZINC000572162713	430674788	/nfs/dbraw/zinc/67/47/88/430674788.db2.gz	GCRZHLGJANMZJT-SSDOTTSWSA-N	0	3	301.571	2.878	20	30		DFEDHN
CCCN1CCN(c2ccccc2CNCC2(C#N)CC2)CC1	ZINC000572194746	430675859	/nfs/dbraw/zinc/67/58/59/430675859.db2.gz	CMMLNRYKSSOVDK-UHFFFAOYSA-N	0	3	312.461	2.612	20	30		DFEDHN
C=C(C)Cn1c(N2CCN(C)[C@@H](C(C)C)C2)nnc1C(C)(C)C	ZINC000555258854	430662830	/nfs/dbraw/zinc/66/28/30/430662830.db2.gz	SYJXEWIAFUABRJ-OAHLLOKOSA-N	0	3	319.497	2.928	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1COC(C)(C)C1)C(C)C	ZINC000661423838	430710618	/nfs/dbraw/zinc/71/06/18/430710618.db2.gz	NPVJMTCPLLMOHD-HOTGVXAUSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)cc(OC)c1O	ZINC000657706716	430714621	/nfs/dbraw/zinc/71/46/21/430714621.db2.gz	QHKRDLYJHDGYHN-HZPDHXFCSA-N	0	3	303.402	2.522	20	30		DFEDHN
C=CCCNC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000661572381	430762743	/nfs/dbraw/zinc/76/27/43/430762743.db2.gz	LWDWBKMIJOAFCV-UHFFFAOYSA-N	0	3	301.434	2.788	20	30		DFEDHN
C=C(CNC(=O)N(CC)[C@H]1CCN(CC)C1)c1ccccc1	ZINC000664899234	430774105	/nfs/dbraw/zinc/77/41/05/430774105.db2.gz	RYBAZOWJBHHJTH-KRWDZBQOSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CSC1(C)C	ZINC000644641879	430779458	/nfs/dbraw/zinc/77/94/58/430779458.db2.gz	RRYUXWVNHZGPRV-GOEBONIOSA-N	0	3	307.459	2.638	20	30		DFEDHN
C=CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C	ZINC000661754877	430832219	/nfs/dbraw/zinc/83/22/19/430832219.db2.gz	FCRNKDUJDAEINE-UHFFFAOYSA-N	0	3	310.463	2.723	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@@H]2CCCCO2)CC1	ZINC000661871284	430874599	/nfs/dbraw/zinc/87/45/99/430874599.db2.gz	SIHHWMDBZALAOD-AEFFLSMTSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=CCCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659038240	430949053	/nfs/dbraw/zinc/94/90/53/430949053.db2.gz	NMRBRAKZPZSELM-MRXNPFEDSA-N	0	3	303.406	2.825	20	30		DFEDHN
C=CCOCCN[C@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000645087687	430899277	/nfs/dbraw/zinc/89/92/77/430899277.db2.gz	HLPXHENXOHLLMP-CQSZACIVSA-N	0	3	303.324	2.705	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3C[C@H]3C2)c(OC)c1	ZINC000661975270	430909737	/nfs/dbraw/zinc/90/97/37/430909737.db2.gz	KONGWMGSRZEOOW-YESZJQIVSA-N	0	3	317.429	2.505	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@@H]1CCN(C2CC2)C1	ZINC000665393084	430920485	/nfs/dbraw/zinc/92/04/85/430920485.db2.gz	NAGUVOMXDAYQOC-DJIMGWMZSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1	ZINC000652188977	430981555	/nfs/dbraw/zinc/98/15/55/430981555.db2.gz	ZETWCTDTLQUXHD-KGLIPLIRSA-N	0	3	309.406	2.690	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(C)C1	ZINC000665702340	431009257	/nfs/dbraw/zinc/00/92/57/431009257.db2.gz	XZKWFCMVIVHMAY-DLBZAZTESA-N	0	3	301.434	2.567	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2sccc2C1	ZINC000662081557	430952054	/nfs/dbraw/zinc/95/20/54/430952054.db2.gz	UXLRHUJPZZOGTQ-GASCZTMLSA-N	0	3	302.443	2.816	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC3CC2(C)C3)c(OC)c1	ZINC000662380174	431067349	/nfs/dbraw/zinc/06/73/49/431067349.db2.gz	LTMAOMFNUZAKKC-WUJZJPHMSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=C(CNC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccccc1	ZINC000645505534	431017875	/nfs/dbraw/zinc/01/78/75/431017875.db2.gz	WWXIQBPALIRVSI-KRWDZBQOSA-N	0	3	301.434	2.826	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)C1(NC2CC2)CCC1	ZINC000662593826	431124372	/nfs/dbraw/zinc/12/43/72/431124372.db2.gz	LPAUIFQOMKRFCM-UHFFFAOYSA-N	0	3	300.402	2.542	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CCN(C)C)c1	ZINC000666239355	431163636	/nfs/dbraw/zinc/16/36/36/431163636.db2.gz	YIHUTCFSNBJUKA-GDBMZVCRSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCCCN(C)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000659941335	431201230	/nfs/dbraw/zinc/20/12/30/431201230.db2.gz	NFWNZLXLQDTUJT-QGZVFWFLSA-N	0	3	302.418	2.694	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000656155570	431288557	/nfs/dbraw/zinc/28/85/57/431288557.db2.gz	JWVBOTBZMBHRGX-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCOCCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1	ZINC000649779185	431288896	/nfs/dbraw/zinc/28/88/96/431288896.db2.gz	JYYKOSIKZUZVNC-DZGCQCFKSA-N	0	3	305.422	2.650	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21	ZINC000646941165	431424947	/nfs/dbraw/zinc/42/49/47/431424947.db2.gz	VEILOXFWOCSXJK-DZGCQCFKSA-N	0	3	302.443	2.741	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000660496920	431460975	/nfs/dbraw/zinc/46/09/75/431460975.db2.gz	UBSNUOIGBILEQG-KRWDZBQOSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2C[C@H]2C1)C(C)C	ZINC000663669002	431493749	/nfs/dbraw/zinc/49/37/49/431493749.db2.gz	UTHCPINIECQAJL-YESZJQIVSA-N	0	3	305.466	2.736	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cscn2)CC1	ZINC000660598464	431509974	/nfs/dbraw/zinc/50/99/74/431509974.db2.gz	ZJTQTTFTLMFUPX-GFCCVEGCSA-N	0	3	308.451	2.544	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1CCOC	ZINC000660700916	431555675	/nfs/dbraw/zinc/55/56/75/431555675.db2.gz	NPTCBZVQWXYDRD-IKGGRYGDSA-N	0	3	323.481	2.531	20	30		DFEDHN
CC(C)[C@H](CO)N(Cc1cc(C#N)n(C)c1)Cc1ccccc1	ZINC000191381437	280260989	/nfs/dbraw/zinc/26/09/89/280260989.db2.gz	ZXZGKGMXWODBGN-IBGZPJMESA-N	0	3	311.429	2.916	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000660887519	431644141	/nfs/dbraw/zinc/64/41/41/431644141.db2.gz	KNTCZPXHYAYRQB-TXCZRRACSA-N	0	3	305.466	2.903	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H]2CCCNC2=O)cc1Cl	ZINC000657284848	431648392	/nfs/dbraw/zinc/64/83/92/431648392.db2.gz	WPNSZRUFVYPUJP-CYBMUJFWSA-N	0	3	308.809	2.521	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C)CCc2ccc(O)cc2)nn1	ZINC000657345913	431689840	/nfs/dbraw/zinc/68/98/40/431689840.db2.gz	AJLQIRWSDFGAHF-CQSZACIVSA-N	0	3	300.406	2.671	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCN(CCC)C2)cc1	ZINC000661164666	431756201	/nfs/dbraw/zinc/75/62/01/431756201.db2.gz	ISUZPAUBVHALJI-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCCn1cc(CNC(C)(C)Cc2ccc(OC)cc2)nn1	ZINC000657444223	431757638	/nfs/dbraw/zinc/75/76/38/431757638.db2.gz	WAUZVAVASONVOV-UHFFFAOYSA-N	0	3	314.433	2.974	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2cccc(CC)c2)CC1	ZINC000650852993	431722187	/nfs/dbraw/zinc/72/21/87/431722187.db2.gz	XVTYDZFOPIVCQB-UHFFFAOYSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)COC	ZINC000661244433	431792100	/nfs/dbraw/zinc/79/21/00/431792100.db2.gz	UGYUNQUDKGKWJW-CQSZACIVSA-N	0	3	318.417	2.741	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1c(C)cccc1C)[C@H](C)COC	ZINC000661247601	431795881	/nfs/dbraw/zinc/79/58/81/431795881.db2.gz	PJKYJUOKMAZTAW-IAGOWNOFSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1	ZINC000648049640	431800713	/nfs/dbraw/zinc/80/07/13/431800713.db2.gz	ZVCBROKEZIPMDY-INIZCTEOSA-N	0	3	310.401	2.728	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@H]2CCCCO2)CC1	ZINC000654431326	431787107	/nfs/dbraw/zinc/78/71/07/431787107.db2.gz	FXESOSISEKZYHP-IAGOWNOFSA-N	0	3	323.481	2.674	20	30		DFEDHN
COC(=O)CCC1CCN(Cc2cc(C#N)ccc2OC)CC1	ZINC000156738743	295340638	/nfs/dbraw/zinc/34/06/38/295340638.db2.gz	SUCMNZHQMOHYFE-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1	ZINC000537307204	301297678	/nfs/dbraw/zinc/29/76/78/301297678.db2.gz	MHNCKODDPYUPLN-RCBQFDQVSA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)c(F)c1	ZINC000538508443	301322774	/nfs/dbraw/zinc/32/27/74/301322774.db2.gz	MCVDACSTLPEJHV-OLZOCXBDSA-N	0	3	302.349	2.792	20	30		DFEDHN
N#Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Cl	ZINC000538684112	301326904	/nfs/dbraw/zinc/32/69/04/301326904.db2.gz	AUXMUSRWKBLXBJ-UHFFFAOYSA-N	0	3	303.793	2.568	20	30		DFEDHN
N#Cc1cccc(OCCNC2(c3ccc4c(c3)OCO4)CC2)c1	ZINC000539334791	301340613	/nfs/dbraw/zinc/34/06/13/301340613.db2.gz	KUYNAAJKTHQUEX-UHFFFAOYSA-N	0	3	322.364	2.945	20	30		DFEDHN
C[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)c(F)c1	ZINC000540704853	301367641	/nfs/dbraw/zinc/36/76/41/301367641.db2.gz	CZEYMMWROCOAMQ-CYBMUJFWSA-N	0	3	310.372	2.878	20	30		DFEDHN
N#Cc1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1Cl	ZINC000541787810	301397290	/nfs/dbraw/zinc/39/72/90/301397290.db2.gz	MUQHJDVNJHJNMH-OAHLLOKOSA-N	0	3	317.820	2.912	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1F	ZINC000543762661	301438072	/nfs/dbraw/zinc/43/80/72/301438072.db2.gz	DGFOKPFZLDJFFC-IACUBPJLSA-N	0	3	324.421	2.704	20	30		DFEDHN
C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccncn1	ZINC000556455546	301796284	/nfs/dbraw/zinc/79/62/84/301796284.db2.gz	VIUTYWHPOANVLT-JEYLPNPQSA-N	0	3	323.400	2.784	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@@H]3CCCOC3)n2c1	ZINC000563151545	302041810	/nfs/dbraw/zinc/04/18/10/302041810.db2.gz	YCLGFCKBPYIKCQ-NVXWUHKLSA-N	0	3	310.401	2.597	20	30		DFEDHN
N#Cc1cnn2cc(CNCCc3ccc(Cl)cc3)cnc12	ZINC000563633426	302089728	/nfs/dbraw/zinc/08/97/28/302089728.db2.gz	ACNGRWQGJPUCHH-UHFFFAOYSA-N	0	3	311.776	2.587	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN1CCC[C@H]1c1ccsc1)C2	ZINC000564989466	302179811	/nfs/dbraw/zinc/17/98/11/302179811.db2.gz	MGTIHVHEABBTFI-WFASDCNBSA-N	0	3	313.430	2.695	20	30		DFEDHN
CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000565046875	302188597	/nfs/dbraw/zinc/18/85/97/302188597.db2.gz	CJUYWIBXKCPCPW-NZVBXONLSA-N	0	3	303.362	2.616	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1	ZINC000565049320	302189237	/nfs/dbraw/zinc/18/92/37/302189237.db2.gz	ZKEOUEGDQVQGAI-INIZCTEOSA-N	0	3	314.389	2.527	20	30		DFEDHN
COc1ccc(C#N)cc1CN(CCN(C)C)Cc1ccccn1	ZINC000565164965	302199870	/nfs/dbraw/zinc/19/98/70/302199870.db2.gz	UKHNLPIZPOHEGK-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
CC1CCN([C@H](CNc2ccnc(C#N)n2)c2ccccc2)CC1	ZINC000565223616	302209761	/nfs/dbraw/zinc/20/97/61/302209761.db2.gz	ZTVSUEAZFGVFAF-QGZVFWFLSA-N	0	3	321.428	2.655	20	30		DFEDHN
C[C@]1(c2ccccc2)CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000566246041	302269844	/nfs/dbraw/zinc/26/98/44/302269844.db2.gz	COSWEPBVCJFEFI-IBGZPJMESA-N	0	3	317.396	2.765	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2	ZINC000567654152	302376491	/nfs/dbraw/zinc/37/64/91/302376491.db2.gz	WLWWZVNRNBUPIE-NVXWUHKLSA-N	0	3	321.428	2.865	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNC2CCC3(CC3)CC2)cc1	ZINC000569214840	302505470	/nfs/dbraw/zinc/50/54/70/302505470.db2.gz	VDDHKJOPHMAPIC-UHFFFAOYSA-N	0	3	318.442	2.644	20	30		DFEDHN
C[C@@H]1CC[C@H](NCc2ccc(C#N)s2)[C@@H](n2cncn2)C1	ZINC000570076413	302555102	/nfs/dbraw/zinc/55/51/02/302555102.db2.gz	SXYGBMPBTHGOPW-UGFHNGPFSA-N	0	3	301.419	2.731	20	30		DFEDHN
CN(C)C[C@H]1CCCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000572143930	302645833	/nfs/dbraw/zinc/64/58/33/302645833.db2.gz	FATMTCXELDTWAR-CYBMUJFWSA-N	0	3	305.809	2.768	20	30		DFEDHN
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000573574326	302711400	/nfs/dbraw/zinc/71/14/00/302711400.db2.gz	FQCLUAKSZORGMF-CYBMUJFWSA-N	0	3	321.380	2.610	20	30		DFEDHN
Cc1cc([N+](=O)[O-])ccc1CNCCOc1ccc(C#N)cc1	ZINC000183494771	316144421	/nfs/dbraw/zinc/14/44/21/316144421.db2.gz	WNXSQSYDLLPTGG-UHFFFAOYSA-N	0	3	311.341	2.944	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC3CCC2CC3)c1	ZINC000320162764	316252584	/nfs/dbraw/zinc/25/25/84/316252584.db2.gz	QLADDMKOIWBKMN-PGEKIEPBSA-N	0	3	318.442	2.500	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N[C@H]2CCC[C@@H]3C[C@@H]32)C1=O	ZINC000572099009	318001176	/nfs/dbraw/zinc/00/11/76/318001176.db2.gz	YQZTVMOEYIAURW-SAXRGWBVSA-N	0	3	301.415	2.503	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000576358705	318121825	/nfs/dbraw/zinc/12/18/25/318121825.db2.gz	QGFZZUCIYPRVFM-CQSZACIVSA-N	0	3	305.809	2.766	20	30		DFEDHN
CC[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000577027961	318166221	/nfs/dbraw/zinc/16/62/21/318166221.db2.gz	MWTHQLIELAFJRC-BBWFWOEESA-N	0	3	320.458	2.955	20	30		DFEDHN
C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577180411	318176400	/nfs/dbraw/zinc/17/64/00/318176400.db2.gz	FOLGSKKQTIQSOY-CJNGLKHVSA-N	0	3	317.389	2.982	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1	ZINC000579249614	318317963	/nfs/dbraw/zinc/31/79/63/318317963.db2.gz	SIWBYLGWLHZISR-UXLLHSPISA-N	0	3	315.373	2.592	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CC[C@@H](C3CCCC3)C2)cc1	ZINC000579822529	318356318	/nfs/dbraw/zinc/35/63/18/318356318.db2.gz	COAOTNQMVRWMAX-GOSISDBHSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=CCOc1cccc(CNCCNC(=O)[C@@H](C)CCC)c1	ZINC000292640891	335092844	/nfs/dbraw/zinc/09/28/44/335092844.db2.gz	KIDGMEIUXBPEIW-HNNXBMFYSA-N	0	3	304.434	2.893	20	30		DFEDHN
C[C@]1(CNc2nccc(C#N)n2)CCCN1Cc1ccccc1	ZINC000397912976	323356681	/nfs/dbraw/zinc/35/66/81/323356681.db2.gz	IOAYRBSVECGAON-GOSISDBHSA-N	0	3	307.401	2.815	20	30		DFEDHN
N#Cc1cnccc1NC[C@H]1CCCCN1Cc1ccccc1	ZINC000399404819	323358451	/nfs/dbraw/zinc/35/84/51/323358451.db2.gz	BTJRWLGNIHPOKS-GOSISDBHSA-N	0	3	306.413	2.842	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000116854918	331465053	/nfs/dbraw/zinc/46/50/53/331465053.db2.gz	BVJJVUPPVOGXJV-MRXNPFEDSA-N	0	3	315.461	2.911	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1	ZINC000407988359	331647517	/nfs/dbraw/zinc/64/75/17/331647517.db2.gz	BPZVDLARPJYLML-WMLDXEAASA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1	ZINC000298853353	331670239	/nfs/dbraw/zinc/67/02/39/331670239.db2.gz	DPCNELHDSHFFJK-LSDHHAIUSA-N	0	3	302.418	2.935	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NC[C@H]1CCCO1)c1ccccc1	ZINC000299079212	331677388	/nfs/dbraw/zinc/67/73/88/331677388.db2.gz	UALXQRTUCCYLBO-IAGOWNOFSA-N	0	3	302.418	2.579	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CC(C)(C)c2ccc(C)cc2)C1=O	ZINC000410394405	332121783	/nfs/dbraw/zinc/12/17/83/332121783.db2.gz	AQNRMLMQBLNFHF-KRWDZBQOSA-N	0	3	300.446	2.991	20	30		DFEDHN
C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000132417765	332129934	/nfs/dbraw/zinc/12/99/34/332129934.db2.gz	FPXVOBSTCXYQER-KBPBESRZSA-N	0	3	321.465	2.653	20	30		DFEDHN
CC(C)Oc1cccc(CN(C)CCC(=O)N(C)CCC#N)c1	ZINC000092807631	332131235	/nfs/dbraw/zinc/13/12/35/332131235.db2.gz	BJLDDGRGARUCGM-UHFFFAOYSA-N	0	3	317.433	2.668	20	30		DFEDHN
Cc1cccc(C2=CCN(CCC(=O)N(C)CCC#N)CC2)c1	ZINC000092822026	332131447	/nfs/dbraw/zinc/13/14/47/332131447.db2.gz	BGNVXSLKKZWQFA-UHFFFAOYSA-N	0	3	311.429	2.846	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000410512245	332149469	/nfs/dbraw/zinc/14/94/69/332149469.db2.gz	SXVDMANZYLSNRW-FCEWJHQRSA-N	0	3	311.429	2.659	20	30		DFEDHN
C=CCCCNC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000448030077	332202939	/nfs/dbraw/zinc/20/29/39/332202939.db2.gz	JYYDASKRSNYDOQ-UHFFFAOYSA-N	0	3	311.495	2.613	20	30		DFEDHN
C=CCN(CC)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000363690649	332223002	/nfs/dbraw/zinc/22/30/02/332223002.db2.gz	IXZBEMZBDUEQGE-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
N#CCCCCN1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000102397928	332225368	/nfs/dbraw/zinc/22/53/68/332225368.db2.gz	SRSFEDLPKXJSRW-UHFFFAOYSA-N	0	3	300.406	2.966	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1	ZINC000102396937	332225416	/nfs/dbraw/zinc/22/54/16/332225416.db2.gz	NNQLMDMLCOEPJF-UHFFFAOYSA-N	0	3	303.381	2.667	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)Oc2ccccc2)CC1	ZINC000102401706	332225626	/nfs/dbraw/zinc/22/56/26/332225626.db2.gz	UWSHONNERMECNC-UHFFFAOYSA-N	0	3	301.390	2.887	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CCC1)C1CC1	ZINC000104701514	332247699	/nfs/dbraw/zinc/24/76/99/332247699.db2.gz	FHDOEKJXVWXEMW-OALUTQOASA-N	0	3	311.429	2.926	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C(=O)NCC)C(C)C)cc1OC	ZINC000292873898	335097113	/nfs/dbraw/zinc/09/71/13/335097113.db2.gz	DITDCSWNJIUNFZ-KRWDZBQOSA-N	0	3	320.433	2.510	20	30		DFEDHN
C=CCOCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1	ZINC000292906110	335097787	/nfs/dbraw/zinc/09/77/87/335097787.db2.gz	WLMVCVYVNBFAJT-UHFFFAOYSA-N	0	3	312.417	2.854	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCCO1)C(C)C	ZINC000119705206	332277299	/nfs/dbraw/zinc/27/72/99/332277299.db2.gz	ZUDRYXFZZAHLDO-BBWFWOEESA-N	0	3	323.481	2.552	20	30		DFEDHN
CCOCCC[N@@H+]1CC[C@H](/N=C/c2ccccc2[O-])[C@H](C)C1	ZINC000115184042	332330818	/nfs/dbraw/zinc/33/08/18/332330818.db2.gz	RLDCTCNGDUAXFH-FTLAUBJRSA-N	0	3	304.434	2.948	20	30		DFEDHN
CCOCCC[N@H+]1CC[C@H](/N=C/c2ccccc2[O-])[C@H](C)C1	ZINC000115184042	332330819	/nfs/dbraw/zinc/33/08/19/332330819.db2.gz	RLDCTCNGDUAXFH-FTLAUBJRSA-N	0	3	304.434	2.948	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C(C)(C)C#N)cc1Cl	ZINC000116817504	332343347	/nfs/dbraw/zinc/34/33/47/332343347.db2.gz	CKZFBEJHOQAVCX-UHFFFAOYSA-N	0	3	309.797	2.769	20	30		DFEDHN
C=CCC(F)(F)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000293263734	335102904	/nfs/dbraw/zinc/10/29/04/335102904.db2.gz	XONQODDVPCGKPE-UHFFFAOYSA-N	0	3	323.387	2.978	20	30		DFEDHN
N#CCCCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000120843012	332390388	/nfs/dbraw/zinc/39/03/88/332390388.db2.gz	RBYZWWIGLXXSAS-UHFFFAOYSA-N	0	3	301.390	2.737	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(c2cccc(F)c2F)CC1	ZINC000565001182	332400960	/nfs/dbraw/zinc/40/09/60/332400960.db2.gz	MHPKVJYWGDADCK-HNNXBMFYSA-N	0	3	321.371	2.692	20	30		DFEDHN
N#CC1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000195334991	335106074	/nfs/dbraw/zinc/10/60/74/335106074.db2.gz	MKRGNBCDTSNLAW-HKUYNNGSSA-N	0	3	314.429	2.677	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(OC)cc2)CC1	ZINC000155177781	332444998	/nfs/dbraw/zinc/44/49/98/332444998.db2.gz	DFJCAUNKRIWHDJ-OAHLLOKOSA-N	0	3	316.445	2.640	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1	ZINC000293511986	335110959	/nfs/dbraw/zinc/11/09/59/335110959.db2.gz	OHQJIEPSGHQBHG-GFCCVEGCSA-N	0	3	312.335	2.838	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000157618207	332533062	/nfs/dbraw/zinc/53/30/62/332533062.db2.gz	IGFXCEPCLZECOW-WMZOPIPTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1	ZINC000106037410	332964024	/nfs/dbraw/zinc/96/40/24/332964024.db2.gz	UKTCSGIVLVQBOA-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
N#CCC1(CNC[C@H](O)Cc2ccccc2C(F)(F)F)CC1	ZINC000563002589	333032165	/nfs/dbraw/zinc/03/21/65/333032165.db2.gz	HJDAKGLYKYWQGK-CYBMUJFWSA-N	0	3	312.335	2.892	20	30		DFEDHN
C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(OCC#N)cc1	ZINC000181999880	333036380	/nfs/dbraw/zinc/03/63/80/333036380.db2.gz	XRPUTPSVYOBZCP-OAHLLOKOSA-N	0	3	315.417	2.642	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)N(C)C)cc1	ZINC000170888283	333042041	/nfs/dbraw/zinc/04/20/41/333042041.db2.gz	WBDWAZLJUFGARK-KRWDZBQOSA-N	0	3	314.433	2.543	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1	ZINC000294145479	335118543	/nfs/dbraw/zinc/11/85/43/335118543.db2.gz	UKJVLLJSZXQADR-SAABIXHNSA-N	0	3	314.404	2.533	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000172202831	333059544	/nfs/dbraw/zinc/05/95/44/333059544.db2.gz	FPEGSOGMNNRTFG-QGZVFWFLSA-N	0	3	314.433	2.644	20	30		DFEDHN
C=C[C@@H](CC(=O)Nc1ccnn1CCN(C)C)c1ccccc1	ZINC000294224821	335119453	/nfs/dbraw/zinc/11/94/53/335119453.db2.gz	WMHIAJSYWPAZSZ-HNNXBMFYSA-N	0	3	312.417	2.743	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]2CC(=Nn3cnnc3)CC[C@@H]21	ZINC000497148537	333087101	/nfs/dbraw/zinc/08/71/01/333087101.db2.gz	HVRLJMOKJZZZKS-OCCSQVGLSA-N	0	3	319.409	2.682	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2)CCN1C	ZINC000174714332	333089733	/nfs/dbraw/zinc/08/97/33/333089733.db2.gz	JQDPNYZAMLCZTR-XJKSGUPXSA-N	0	3	300.406	2.699	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1	ZINC000174905972	333092526	/nfs/dbraw/zinc/09/25/26/333092526.db2.gz	ZOXYDUBWWVREMM-QGZVFWFLSA-N	0	3	324.428	2.966	20	30		DFEDHN
C=C(C)Cn1c(CCC(C)C)nnc1N1CCCN(CC)CC1	ZINC000460768730	333138360	/nfs/dbraw/zinc/13/83/60/333138360.db2.gz	FTYLUUGBWVMPDI-UHFFFAOYSA-N	0	3	319.497	2.975	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)CC1	ZINC000180193275	333159472	/nfs/dbraw/zinc/15/94/72/333159472.db2.gz	PPSRSAAEGFYMSM-SFHVURJKSA-N	0	3	323.440	2.942	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180406380	333161716	/nfs/dbraw/zinc/16/17/16/333161716.db2.gz	PTIAUGYXPXIWBE-RHSMWYFYSA-N	0	3	309.413	2.550	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC2CCN(CC=C)CC2)cc1	ZINC000294573023	335125953	/nfs/dbraw/zinc/12/59/53/335125953.db2.gz	KDIUOZUBXHCEPS-UHFFFAOYSA-N	0	3	314.429	2.561	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](Cc1ccccc1)C1CC1	ZINC000181555007	333170157	/nfs/dbraw/zinc/17/01/57/333170157.db2.gz	FIZDNHFOXGWXIR-QAPCUYQASA-N	0	3	313.445	2.605	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)C(C)(C)c1ccccc1	ZINC000181780097	333172263	/nfs/dbraw/zinc/17/22/63/333172263.db2.gz	CGPTYTKETKLHDT-HOTGVXAUSA-N	0	3	315.461	2.950	20	30		DFEDHN
CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccc(OC)cc1	ZINC000181815785	333172507	/nfs/dbraw/zinc/17/25/07/333172507.db2.gz	KWFDCYYUACYCMY-YOEHRIQHSA-N	0	3	317.433	2.744	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000185872917	333215275	/nfs/dbraw/zinc/21/52/75/333215275.db2.gz	YALZEXRHFZYUGP-LZWOXQAQSA-N	0	3	315.392	2.993	20	30		DFEDHN
CC(=O)NCc1ccc([C@H]2CCCN2CCCSCC#N)o1	ZINC000364059309	333229025	/nfs/dbraw/zinc/22/90/25/333229025.db2.gz	WQMNNLIJIDYBQN-OAHLLOKOSA-N	0	3	321.446	2.699	20	30		DFEDHN
C[C@@H](NCC1(C#N)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000497307399	333234451	/nfs/dbraw/zinc/23/44/51/333234451.db2.gz	VFDCOBAHSTXNMT-KGLIPLIRSA-N	0	3	307.438	2.915	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC1	ZINC000119432526	333252087	/nfs/dbraw/zinc/25/20/87/333252087.db2.gz	SRBVUDZYGRJJCK-QGZVFWFLSA-N	0	3	311.429	2.851	20	30		DFEDHN
COC(=O)c1cccc(OCCN2CCC(CCC#N)CC2)c1	ZINC000563065969	333256957	/nfs/dbraw/zinc/25/69/57/333256957.db2.gz	GGZZNZMDLSODNN-UHFFFAOYSA-N	0	3	316.401	2.868	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCCN1CC	ZINC000497620722	333270756	/nfs/dbraw/zinc/27/07/56/333270756.db2.gz	HRKXKWGCDYRKFG-INIZCTEOSA-N	0	3	319.449	2.894	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1	ZINC000364198440	333271538	/nfs/dbraw/zinc/27/15/38/333271538.db2.gz	ZYYSABCOPLMJGS-DLBZAZTESA-N	0	3	302.393	2.847	20	30		DFEDHN
C#CCOc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1	ZINC000295127810	335132516	/nfs/dbraw/zinc/13/25/16/335132516.db2.gz	YCNPDGBJRXMKGT-UHFFFAOYSA-N	0	3	314.429	2.579	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1OC	ZINC000295103892	335132564	/nfs/dbraw/zinc/13/25/64/335132564.db2.gz	TZZDHEDSCYNZJR-IUODEOHRSA-N	0	3	315.360	2.754	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1	ZINC000295136933	335132599	/nfs/dbraw/zinc/13/25/99/335132599.db2.gz	DDZVPLREJGSLAZ-KRWDZBQOSA-N	0	3	314.429	2.691	20	30		DFEDHN
C=CC1CCN(CC(=O)N[C@H](C)Cc2ccccc2C)CC1	ZINC000525785160	333310877	/nfs/dbraw/zinc/31/08/77/333310877.db2.gz	QEDVZINRZNKPAV-MRXNPFEDSA-N	0	3	300.446	2.940	20	30		DFEDHN
C=C(C)[C@@H](N[C@H](C)COCC(=O)OC)c1ccc(F)c(F)c1	ZINC000295407838	335134018	/nfs/dbraw/zinc/13/40/18/335134018.db2.gz	MTSNLWSLEBTOBO-BDJLRTHQSA-N	0	3	313.344	2.750	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(C(F)F)cc2)C1	ZINC000368785119	333332594	/nfs/dbraw/zinc/33/25/94/333332594.db2.gz	TVLZBURTOCTEHU-UKRRQHHQSA-N	0	3	320.383	2.627	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1	ZINC000118821292	333341822	/nfs/dbraw/zinc/34/18/22/333341822.db2.gz	AFTYJPGRDMBTKJ-HNNXBMFYSA-N	0	3	315.417	2.504	20	30		DFEDHN
C#CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCCCC1	ZINC000365067805	333354601	/nfs/dbraw/zinc/35/46/01/333354601.db2.gz	DMVGNEBHEXKYKJ-SJORKVTESA-N	0	3	302.462	2.903	20	30		DFEDHN
C=CCCCN1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000365202801	333356524	/nfs/dbraw/zinc/35/65/24/333356524.db2.gz	LYGOHZNXHFRNNT-MRXNPFEDSA-N	0	3	318.465	2.691	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1	ZINC000295100207	335132040	/nfs/dbraw/zinc/13/20/40/335132040.db2.gz	KGBPIVUTZVNCOJ-QAPCUYQASA-N	0	3	314.429	2.547	20	30		DFEDHN
C[C@H](CO)[C@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000295733309	335137535	/nfs/dbraw/zinc/13/75/35/335137535.db2.gz	MDGDOYKAXCIPSX-NEPJUHHUSA-N	0	3	301.308	2.543	20	30		DFEDHN
COC(C)(C)CCN1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000336862433	333431066	/nfs/dbraw/zinc/43/10/66/333431066.db2.gz	JEIAVANEKIFAAX-QGZVFWFLSA-N	0	3	301.434	2.684	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc3ncsc3c2)C1=O	ZINC000337181962	333442759	/nfs/dbraw/zinc/44/27/59/333442759.db2.gz	BCKFFIOWELAYDN-FZMZJTMJSA-N	0	3	301.415	2.734	20	30		DFEDHN
C=CCOCCCN[C@H](Cn1ccccc1=O)c1ccccc1	ZINC000337418912	333448841	/nfs/dbraw/zinc/44/88/41/333448841.db2.gz	AMLAFGRCVBKICE-GOSISDBHSA-N	0	3	312.413	2.772	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)C(C)C	ZINC000337505036	333450835	/nfs/dbraw/zinc/45/08/35/333450835.db2.gz	OEAUSWWKWFQAPA-MWDXBVQZSA-N	0	3	308.466	2.615	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CC[C@@H](N2CCCCC2)C1	ZINC000337874793	333462007	/nfs/dbraw/zinc/46/20/07/333462007.db2.gz	XWYRQSAVFRVACE-MRXNPFEDSA-N	0	3	317.481	2.871	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCCCO1)C(C)C	ZINC000152066131	333592943	/nfs/dbraw/zinc/59/29/43/333592943.db2.gz	UIGIFXVWXBRZHV-IRXDYDNUSA-N	0	3	308.466	2.760	20	30		DFEDHN
C#CCOc1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cc1	ZINC000296953087	335150211	/nfs/dbraw/zinc/15/02/11/335150211.db2.gz	JPJAYUWTOHDRHH-UHFFFAOYSA-N	0	3	322.408	2.690	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1	ZINC000296839298	335146673	/nfs/dbraw/zinc/14/66/73/335146673.db2.gz	JENMRJGQQNFBED-ZDUSSCGKSA-N	0	3	323.387	2.622	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCCCC[C@H]1c1ccco1	ZINC000297294631	335152565	/nfs/dbraw/zinc/15/25/65/335152565.db2.gz	HFSHUKKQHJNBEO-INIZCTEOSA-N	0	3	317.433	2.861	20	30		DFEDHN
COc1cc(OCCN(C)C)ccc1NC(=O)CC(C)(C)C#N	ZINC000412569608	333762360	/nfs/dbraw/zinc/76/23/60/333762360.db2.gz	IFXSNYNFHSCYJR-UHFFFAOYSA-N	0	3	319.405	2.514	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1	ZINC000571607506	333820192	/nfs/dbraw/zinc/82/01/92/333820192.db2.gz	NNPCUSCPFQCHOM-KURKYZTESA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@H]2c2ccnn2C)cc1	ZINC000343383846	335160984	/nfs/dbraw/zinc/16/09/84/335160984.db2.gz	IVSBEDJQGAPBJP-SJLPKXTDSA-N	0	3	313.401	2.605	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)CN(C)C	ZINC000413832195	333874171	/nfs/dbraw/zinc/87/41/71/333874171.db2.gz	IUFPDIBDTMUHQQ-INIZCTEOSA-N	0	3	303.450	2.813	20	30		DFEDHN
CC[C@@H](O)CCNCc1ccc(OC)c(OCCCC#N)c1	ZINC000268639712	333992677	/nfs/dbraw/zinc/99/26/77/333992677.db2.gz	GYAMSTHTGQRUET-OAHLLOKOSA-N	0	3	306.406	2.628	20	30		DFEDHN
CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](CCC#N)c2ccccc2)C1	ZINC000272316481	334032831	/nfs/dbraw/zinc/03/28/31/334032831.db2.gz	XSHGLIXUXQGAIN-BBWFWOEESA-N	0	3	320.458	2.977	20	30		DFEDHN
CCC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000272744755	334039352	/nfs/dbraw/zinc/03/93/52/334039352.db2.gz	MRPPIVYUCKLVHW-QGZVFWFLSA-N	0	3	312.417	2.773	20	30		DFEDHN
CN(CCc1cnccn1)Cc1ccc(N(C)CCC#N)cc1	ZINC000272762033	334039483	/nfs/dbraw/zinc/03/94/83/334039483.db2.gz	LRXAUELSMRULFO-UHFFFAOYSA-N	0	3	309.417	2.501	20	30		DFEDHN
N#CCCCNCc1cc(Br)c2c(c1)OCCO2	ZINC000273011556	334041919	/nfs/dbraw/zinc/04/19/19/334041919.db2.gz	CDWKVBZOZKQBFO-UHFFFAOYSA-N	0	3	311.179	2.614	20	30		DFEDHN
C[C@@H](C(=O)NCCCC#N)N1CCC(Cc2ccccc2)CC1	ZINC000273112427	334043420	/nfs/dbraw/zinc/04/34/20/334043420.db2.gz	OKGKDJZQYNSAGJ-INIZCTEOSA-N	0	3	313.445	2.750	20	30		DFEDHN
C[C@H](C(=O)NCCCC#N)N1CCC(Cc2ccccc2)CC1	ZINC000273112430	334043439	/nfs/dbraw/zinc/04/34/39/334043439.db2.gz	OKGKDJZQYNSAGJ-MRXNPFEDSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC[C@@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)N(CC)CC	ZINC000274565721	334063214	/nfs/dbraw/zinc/06/32/14/334063214.db2.gz	KYZCUPIASHISPT-HKUYNNGSSA-N	0	3	313.445	2.674	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1	ZINC000414751971	334085374	/nfs/dbraw/zinc/08/53/74/334085374.db2.gz	BGNKVEDFPBVGMQ-ZWKOTPCHSA-N	0	3	320.396	2.711	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)CC(C)(C)C#N)CC1	ZINC000278165604	334093291	/nfs/dbraw/zinc/09/32/91/334093291.db2.gz	BAGNHCUXCPWCKA-UHFFFAOYSA-N	0	3	303.406	2.642	20	30		DFEDHN
COC[C@@H](NCc1ccccc1C(C)(C)C#N)[C@@H]1CCCO1	ZINC000279062010	334104976	/nfs/dbraw/zinc/10/49/76/334104976.db2.gz	LPRBPCOKYRRYMU-SJORKVTESA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)(C#N)CC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000279241879	334107013	/nfs/dbraw/zinc/10/70/13/334107013.db2.gz	KDKWOBXLVZGRLF-CYBMUJFWSA-N	0	3	305.447	2.941	20	30		DFEDHN
CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1O	ZINC000280398652	334117166	/nfs/dbraw/zinc/11/71/66/334117166.db2.gz	GXKJHDIFLNDPAR-QGZVFWFLSA-N	0	3	324.428	2.666	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CNCC(C)(C)CCC#N)s1	ZINC000280682302	334118948	/nfs/dbraw/zinc/11/89/48/334118948.db2.gz	UYSLJGSTQLCBFW-UHFFFAOYSA-N	0	3	314.476	2.961	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCC[C@H]1O	ZINC000289565286	334166548	/nfs/dbraw/zinc/16/65/48/334166548.db2.gz	JFVZEMCZNYOTQR-QZTJIDSGSA-N	0	3	324.428	2.809	20	30		DFEDHN
Cc1cnn([C@H]2CCN(Cc3ccc(N(C)CCC#N)cc3)C2)c1	ZINC000290891065	334175020	/nfs/dbraw/zinc/17/50/20/334175020.db2.gz	LHCMXYMJUOXHCJ-IBGZPJMESA-N	0	3	323.444	2.988	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCN(C)CC[C@@H]2C)c1	ZINC000340380822	334179848	/nfs/dbraw/zinc/17/98/48/334179848.db2.gz	TYQPSQYZNBTTLW-AWEZNQCLSA-N	0	3	303.406	2.809	20	30		DFEDHN
C[C@@H](C#N)Oc1ccccc1NC(=O)CC1CCN(C)CC1	ZINC000291580337	334179931	/nfs/dbraw/zinc/17/99/31/334179931.db2.gz	CFYCSMBQKHQRQJ-ZDUSSCGKSA-N	0	3	301.390	2.648	20	30		DFEDHN
CC(C)(CCC#N)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000340391521	334187155	/nfs/dbraw/zinc/18/71/55/334187155.db2.gz	KPIVDVUJAFVWGP-AWEZNQCLSA-N	0	3	301.369	2.953	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN(C2CCC2)C1	ZINC000292536887	334189051	/nfs/dbraw/zinc/18/90/51/334189051.db2.gz	ZTOHAXQBWUIOFU-HNNXBMFYSA-N	0	3	311.429	2.699	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCNC(=O)[C@H]1Cc1ccccc1	ZINC000292932010	334194389	/nfs/dbraw/zinc/19/43/89/334194389.db2.gz	JAVUQZXTZAMJID-QGZVFWFLSA-N	0	3	313.445	2.750	20	30		DFEDHN
CCc1ccc([C@H](C#N)NC(=O)[C@H](C2CC2)N2CCCC2)cc1	ZINC000293320194	334197089	/nfs/dbraw/zinc/19/70/89/334197089.db2.gz	JAYXVDBMFJAOLO-ROUUACIJSA-N	0	3	311.429	2.804	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)[C@H]1CC[C@@H](C#N)C1	ZINC000294171864	334206574	/nfs/dbraw/zinc/20/65/74/334206574.db2.gz	PZBNXHHOBUZTMH-BVBHFADKSA-N	0	3	313.445	2.682	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)c1ccccc1	ZINC000294382711	334208789	/nfs/dbraw/zinc/20/87/89/334208789.db2.gz	OEMXCDQKBBQGGI-QFBILLFUSA-N	0	3	311.429	2.880	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000294603617	334211357	/nfs/dbraw/zinc/21/13/57/334211357.db2.gz	NSARDUSIOWCUTH-NEPJUHHUSA-N	0	3	306.797	2.665	20	30		DFEDHN
C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(C2CC2)c1	ZINC000295056687	334216317	/nfs/dbraw/zinc/21/63/17/334216317.db2.gz	BBHRZTJKHKGZDK-OAHLLOKOSA-N	0	3	324.428	2.871	20	30		DFEDHN
CCN1CCN(c2ccc(NC(=O)C(C)(C)C#N)c(C)c2)CC1	ZINC000298796699	334251479	/nfs/dbraw/zinc/25/14/79/334251479.db2.gz	WAHWTRZOZWLQNT-UHFFFAOYSA-N	0	3	314.433	2.625	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1	ZINC000042220683	334333153	/nfs/dbraw/zinc/33/31/53/334333153.db2.gz	ZFOYRZODCHLPFY-QWRGUYRKSA-N	0	3	311.223	2.790	20	30		DFEDHN
C=CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1	ZINC000111794250	334358910	/nfs/dbraw/zinc/35/89/10/334358910.db2.gz	KEYOIUAWTNBOHA-KRWDZBQOSA-N	0	3	301.434	2.897	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000341390238	334438272	/nfs/dbraw/zinc/43/82/72/334438272.db2.gz	YNFDYTNJNZVFTO-HNNXBMFYSA-N	0	3	304.438	2.510	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1	ZINC000188068617	334635652	/nfs/dbraw/zinc/63/56/52/334635652.db2.gz	UBJACOBZQPIVAL-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
O=C(NCc1cn2c(n1)CCCC2)C1CCN(C2CC2)CC1	ZINC000328770296	334753165	/nfs/dbraw/zinc/75/31/65/334753165.db2.gz	QYIBSXQLKXBUHC-UHFFFAOYSA-N	0	3	302.422	2.550	20	30		DFEDHN
C=CCn1cc(CNC[C@H](C)Cc2ccc(OC)c(F)c2)nn1	ZINC000425345746	334804161	/nfs/dbraw/zinc/80/41/61/334804161.db2.gz	AQONADIWOFMSGA-CYBMUJFWSA-N	0	3	318.396	2.580	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C	ZINC000330833646	334814785	/nfs/dbraw/zinc/81/47/85/334814785.db2.gz	HOSMGRWSGIAXPL-CYBMUJFWSA-N	0	3	321.469	2.727	20	30		DFEDHN
C=CCC[C@H](CC)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425354749	334836579	/nfs/dbraw/zinc/83/65/79/334836579.db2.gz	NSXCLXMBKZOUPG-ZDUSSCGKSA-N	0	3	306.406	2.977	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C[NH+](C)C	ZINC000331224176	334842629	/nfs/dbraw/zinc/84/26/29/334842629.db2.gz	AUWBUGURGSADGS-LLVKDONJSA-N	0	3	306.406	2.608	20	30		DFEDHN
CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(CC#N)cc1	ZINC000343709470	335189633	/nfs/dbraw/zinc/18/96/33/335189633.db2.gz	KVOXYJZFEXTZRD-UHFFFAOYSA-N	0	3	301.434	2.783	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)C[C@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000344522941	335254879	/nfs/dbraw/zinc/25/48/79/335254879.db2.gz	UAZSMIAHSFANTA-NXHRZFHOSA-N	0	3	316.445	2.524	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(CC)CC	ZINC000345152558	335302021	/nfs/dbraw/zinc/30/20/21/335302021.db2.gz	YIYYXCKVTOIKPQ-RRFJBIMHSA-N	0	3	321.465	2.511	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(C)C	ZINC000345133959	335304431	/nfs/dbraw/zinc/30/44/31/335304431.db2.gz	PDIZZTSLUVRDGI-QLFBSQMISA-N	0	3	321.465	2.511	20	30		DFEDHN
CC(C)N(C)CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000345235276	335310843	/nfs/dbraw/zinc/31/08/43/335310843.db2.gz	GAGILJZRBMHDFC-CYBMUJFWSA-N	0	3	313.323	2.726	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@H](C)[C@@H]1C	ZINC000345248213	335311770	/nfs/dbraw/zinc/31/17/70/335311770.db2.gz	SSBRWMPICBLYKO-ZMSDIMECSA-N	0	3	321.486	2.981	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000345381725	335321952	/nfs/dbraw/zinc/32/19/52/335321952.db2.gz	PBJMMQXWLRRFBF-MAUKXSAKSA-N	0	3	318.461	2.949	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1	ZINC000345819691	335353246	/nfs/dbraw/zinc/35/32/46/335353246.db2.gz	SISYVJUGEXJXMI-QWHCGFSZSA-N	0	3	305.809	2.705	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000345997905	335368606	/nfs/dbraw/zinc/36/86/06/335368606.db2.gz	MHYKSYLKNBHHDS-NXHRZFHOSA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1	ZINC000346094663	335374494	/nfs/dbraw/zinc/37/44/94/335374494.db2.gz	ZNFZFFAECZZSCX-ZDUSSCGKSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CCOc1ccc(CN2CCOCC3(CCOCC3)C2)cc1	ZINC000346264399	335395933	/nfs/dbraw/zinc/39/59/33/335395933.db2.gz	FVTSFORPUCZSOS-UHFFFAOYSA-N	0	3	317.429	2.880	20	30		DFEDHN
CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc(Cl)c1	ZINC000347013953	335459508	/nfs/dbraw/zinc/45/95/08/335459508.db2.gz	PWGCLAYXRGZCHU-CQSZACIVSA-N	0	3	305.809	2.943	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000348479473	335589213	/nfs/dbraw/zinc/58/92/13/335589213.db2.gz	OOTABQDLCTXXCA-CTASWTNQSA-N	0	3	311.495	2.693	20	30		DFEDHN
CC[C@@]1(C(C)C)C[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000584346586	335681036	/nfs/dbraw/zinc/68/10/36/335681036.db2.gz	QRENQQHGSDMXNT-IRXDYDNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
CCN1CCN(c2ccccc2CN[C@@H]2CCC[C@H]2C#N)CC1	ZINC000350454821	335754625	/nfs/dbraw/zinc/75/46/25/335754625.db2.gz	FYVSJSRKXRVINZ-FUHWJXTLSA-N	0	3	312.461	2.610	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCC(C)(C)C#N)C(C)C	ZINC000350750469	335779511	/nfs/dbraw/zinc/77/95/11/335779511.db2.gz	ZFYYIPOCRAFCHA-HNNXBMFYSA-N	0	3	306.454	2.534	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@](C)(OC)c2ccccc2)CC1	ZINC000106774841	335805764	/nfs/dbraw/zinc/80/57/64/335805764.db2.gz	NYPJPMSFGFWTPR-IBGZPJMESA-N	0	3	316.445	2.705	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccccc2Cl)CC1	ZINC000108710139	335843746	/nfs/dbraw/zinc/84/37/46/335843746.db2.gz	XJXYACJGLKDTRD-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)CC1	ZINC000329508095	335985902	/nfs/dbraw/zinc/98/59/02/335985902.db2.gz	WZBMMYSNOYINAS-AWEZNQCLSA-N	0	3	316.449	2.543	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC1	ZINC000446306233	338525086	/nfs/dbraw/zinc/52/50/86/338525086.db2.gz	ZQIRIWGYFDOOHG-WCQYABFASA-N	0	3	321.387	2.913	20	30		DFEDHN
C=CCn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1C(C)(C)C	ZINC000351077880	336012088	/nfs/dbraw/zinc/01/20/88/336012088.db2.gz	XELAWCLYXIPTCB-UONOGXRCSA-N	0	3	305.470	2.681	20	30		DFEDHN
C=CCn1c(N2C[C@@H](C)N(CC)C[C@@H]2C)nnc1C(C)(C)C	ZINC000351077879	336012318	/nfs/dbraw/zinc/01/23/18/336012318.db2.gz	XELAWCLYXIPTCB-KGLIPLIRSA-N	0	3	305.470	2.681	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329640496	336025375	/nfs/dbraw/zinc/02/53/75/336025375.db2.gz	XDSPUJHJTBGKEC-HZSPNIEDSA-N	0	3	301.365	2.603	20	30		DFEDHN
Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)C2=CCN(C)CC2)on1	ZINC000329704626	336061070	/nfs/dbraw/zinc/06/10/70/336061070.db2.gz	JNVMSFFWOLJTEC-ZFWWWQNUSA-N	0	3	318.421	2.684	20	30		DFEDHN
O=C(NC1CC(C(F)(F)F)C1)N1CCC[C@H]1Cn1ccnc1	ZINC000329714214	336067098	/nfs/dbraw/zinc/06/70/98/336067098.db2.gz	SQDURFOEBDRHOT-MCIGGMRASA-N	0	3	316.327	2.602	20	30		DFEDHN
O=C(Cc1ccon1)NCC1(N2CCSCC2)CCCC1	ZINC000329743525	336076518	/nfs/dbraw/zinc/07/65/18/336076518.db2.gz	QAFFQRBQUKNCLD-UHFFFAOYSA-N	0	3	309.435	2.535	20	30		DFEDHN
CC(C)N1CCC(NC(=O)[C@H]2CCC(=O)c3cccn32)CC1	ZINC000329818432	336085660	/nfs/dbraw/zinc/08/56/60/336085660.db2.gz	FRTBHFRGXGPWOH-OAHLLOKOSA-N	0	3	303.406	2.835	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)CN1CCCCC1)C2	ZINC000329846190	336088928	/nfs/dbraw/zinc/08/89/28/336088928.db2.gz	OURVTZYKWUSSJK-HIFRSBDPSA-N	0	3	304.438	2.585	20	30		DFEDHN
C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1	ZINC000329924974	336095937	/nfs/dbraw/zinc/09/59/37/336095937.db2.gz	HYLYDLCARDIBTD-PHIMTYICSA-N	0	3	311.451	2.910	20	30		DFEDHN
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1	ZINC000329924974	336095938	/nfs/dbraw/zinc/09/59/38/336095938.db2.gz	HYLYDLCARDIBTD-PHIMTYICSA-N	0	3	311.451	2.910	20	30		DFEDHN
O=C(NC[C@@H]1CCc2nccn2C1)[C@H]1CCCN1C1CCCC1	ZINC000329960518	336100197	/nfs/dbraw/zinc/10/01/97/336100197.db2.gz	RDRWRXLZMYGWQK-GOEBONIOSA-N	0	3	316.449	2.809	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)CCc2cccc3c2OCO3)CCN1C	ZINC000329962718	336100491	/nfs/dbraw/zinc/10/04/91/336100491.db2.gz	PJSGFINNIJBELT-OCCSQVGLSA-N	0	3	304.390	2.787	20	30		DFEDHN
CN(C)C1(CNC(=O)c2cnc([C@H]3CCCO3)s2)CCC1	ZINC000329964143	336100554	/nfs/dbraw/zinc/10/05/54/336100554.db2.gz	QJEVQWQNBYLEOV-LLVKDONJSA-N	0	3	309.435	2.784	20	30		DFEDHN
CC1CC([NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1	ZINC000330017822	336106344	/nfs/dbraw/zinc/10/63/44/336106344.db2.gz	RUJDWOCEBYZTAE-CPCZMJQVSA-N	0	3	304.438	2.798	20	30		DFEDHN
C[C@H](CNC(=O)[C@H]1CCCN1C1CCCC1)N1CCCCC1=O	ZINC000330080801	336111915	/nfs/dbraw/zinc/11/19/15/336111915.db2.gz	JOZGGDKAFUPIGJ-GDBMZVCRSA-N	0	3	321.465	2.751	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1C	ZINC000330127290	336116134	/nfs/dbraw/zinc/11/61/34/336116134.db2.gz	MTQROQVYNJWAFU-JGGQBBKZSA-N	0	3	319.453	2.734	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)CN[C@H]1CCCO[C@H]1CC(C)C	ZINC000330157542	336119087	/nfs/dbraw/zinc/11/90/87/336119087.db2.gz	PQQLAMHEXWDNIV-GJZGRUSLSA-N	0	3	322.453	2.808	20	30		DFEDHN
CC(C)C1CCC([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1	ZINC000330168481	336120365	/nfs/dbraw/zinc/12/03/65/336120365.db2.gz	AXFJYONRALWLLT-NRXISQOPSA-N	0	3	304.438	2.916	20	30		DFEDHN
CC(C)C1CCC(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1	ZINC000330168481	336120366	/nfs/dbraw/zinc/12/03/66/336120366.db2.gz	AXFJYONRALWLLT-NRXISQOPSA-N	0	3	304.438	2.916	20	30		DFEDHN
C[C@@H]1CC(C)(C)CC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1	ZINC000330184929	336121925	/nfs/dbraw/zinc/12/19/25/336121925.db2.gz	IUVNTBKDFJOXLP-RDBSUJKOSA-N	0	3	304.438	2.916	20	30		DFEDHN
C[C@@H]1CC(C)(C)CC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1	ZINC000330184929	336121927	/nfs/dbraw/zinc/12/19/27/336121927.db2.gz	IUVNTBKDFJOXLP-RDBSUJKOSA-N	0	3	304.438	2.916	20	30		DFEDHN
C[C@H]1OCC[C@H]1NC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000330260303	336130972	/nfs/dbraw/zinc/13/09/72/336130972.db2.gz	OEWCDWIQJGOVTN-HZPDHXFCSA-N	0	3	323.481	2.714	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)NC(=O)NC1CCCCC1	ZINC000330269833	336131728	/nfs/dbraw/zinc/13/17/28/336131728.db2.gz	SLCDSPVKAYHMAB-NILFDRSVSA-N	0	3	323.437	2.735	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N[C@@](C)(C#N)C2CC2)CCCC1(C)C	ZINC000331899228	336152096	/nfs/dbraw/zinc/15/20/96/336152096.db2.gz	SAWKNNXBJOIOEY-QAPCUYQASA-N	0	3	303.450	2.862	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(C3CCCCC3)C2=O)C1	ZINC000333723488	336208819	/nfs/dbraw/zinc/20/88/19/336208819.db2.gz	OICCVRDRRKECML-BFYDXBDKSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000352446932	336219623	/nfs/dbraw/zinc/21/96/23/336219623.db2.gz	IEJDEEVAAWNYAC-LBPRGKRZSA-N	0	3	304.371	2.960	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OC(F)F)c(Br)c1	ZINC000352468556	336220866	/nfs/dbraw/zinc/22/08/66/336220866.db2.gz	ZJIAXBJSBJALNW-VIFPVBQESA-N	0	3	322.149	2.687	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000352468541	336220872	/nfs/dbraw/zinc/22/08/72/336220872.db2.gz	ZHCNRGQGLUKHCJ-GFCCVEGCSA-N	0	3	311.307	2.528	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000352687045	336230430	/nfs/dbraw/zinc/23/04/30/336230430.db2.gz	TVUNILURSODDPG-CABCVRRESA-N	0	3	312.335	2.745	20	30		DFEDHN
COc1cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)ccc1F	ZINC000331310217	336234295	/nfs/dbraw/zinc/23/42/95/336234295.db2.gz	YRQJRAKGKVOUGT-LLVKDONJSA-N	0	3	307.369	2.811	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000417981364	336283732	/nfs/dbraw/zinc/28/37/32/336283732.db2.gz	LUJKNVBBIBFVAN-YOEHRIQHSA-N	0	3	301.434	2.917	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000417981361	336283780	/nfs/dbraw/zinc/28/37/80/336283780.db2.gz	LUJKNVBBIBFVAN-PBHICJAKSA-N	0	3	301.434	2.917	20	30		DFEDHN
CC(C)N1CC[C@@H](NC(=O)C(C)C#N)[C@@H]1c1ccc(F)c(F)c1	ZINC000352870593	336284730	/nfs/dbraw/zinc/28/47/30/336284730.db2.gz	PEPLQRQOIDTXGS-LYRGGWFBSA-N	0	3	321.371	2.764	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000418004076	336309643	/nfs/dbraw/zinc/30/96/43/336309643.db2.gz	BZPPCGXHNXXTGY-OKZBNKHCSA-N	0	3	322.412	2.831	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)NCCCCC#N)c1ccco1	ZINC000352907501	336375886	/nfs/dbraw/zinc/37/58/86/336375886.db2.gz	ZMAUGICLXYBJIW-KGLIPLIRSA-N	0	3	306.410	2.702	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)NCCCCC#N)c1ccco1	ZINC000352907503	336375908	/nfs/dbraw/zinc/37/59/08/336375908.db2.gz	ZMAUGICLXYBJIW-ZIAGYGMSSA-N	0	3	306.410	2.702	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000105908197	336388154	/nfs/dbraw/zinc/38/81/54/336388154.db2.gz	PGRPQIXQYMZYSZ-MRXNPFEDSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCCNCC1)c1ccc(F)c(F)c1	ZINC000418035537	336396171	/nfs/dbraw/zinc/39/61/71/336396171.db2.gz	VFPFSKMKGXDXPQ-HNNXBMFYSA-N	0	3	309.360	2.587	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc(F)c(F)c1	ZINC000418036135	336396325	/nfs/dbraw/zinc/39/63/25/336396325.db2.gz	VVPZBWPPNXDHJF-MKBNYLNASA-N	0	3	323.387	2.974	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(O)c2)CC1	ZINC000112453763	336399509	/nfs/dbraw/zinc/39/95/09/336399509.db2.gz	MYAOHQVDJIUNJP-CQSZACIVSA-N	0	3	317.433	2.793	20	30		DFEDHN
C#CCOc1ccc(CNC[C@H](O)c2ccccc2OC)cc1	ZINC000113326145	336400727	/nfs/dbraw/zinc/40/07/27/336400727.db2.gz	AXRRRNZIPYIQKD-SFHVURJKSA-N	0	3	311.381	2.530	20	30		DFEDHN
CC[C@@H](Cn1cncn1)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000353279470	336409912	/nfs/dbraw/zinc/40/99/12/336409912.db2.gz	ZONLCZHBKZEKFL-HNNXBMFYSA-N	0	3	322.334	2.717	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)NCC1(CC#N)CC1)c1ccco1	ZINC000355855031	336524978	/nfs/dbraw/zinc/52/49/78/336524978.db2.gz	IDPXHTSPZQCMTC-ZIAGYGMSSA-N	0	3	318.421	2.702	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)[C@H](C2CC2)N2CCCC2)C[C@H]1c1ccccc1	ZINC000355895540	336527161	/nfs/dbraw/zinc/52/71/61/336527161.db2.gz	VWAQXSXMYWFPCA-QYZOEREBSA-N	0	3	323.440	2.627	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC(C)(C)C#N	ZINC000358620371	336637166	/nfs/dbraw/zinc/63/71/66/336637166.db2.gz	YNUCSIQNLILRFK-UHFFFAOYSA-N	0	3	316.449	2.829	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)[C@H]2CCOC(C)(C)C2)CC1	ZINC000358679161	336639060	/nfs/dbraw/zinc/63/90/60/336639060.db2.gz	HENWSCPNOWQAMC-INIZCTEOSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000358995190	336651850	/nfs/dbraw/zinc/65/18/50/336651850.db2.gz	WHHJSBQIMVHXLU-AEFFLSMTSA-N	0	3	322.493	2.984	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1ncccc1C(=O)NC)C(C)C	ZINC000360224685	336705121	/nfs/dbraw/zinc/70/51/21/336705121.db2.gz	KKDPFNITHONIGY-MRXNPFEDSA-N	0	3	316.449	2.552	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000362368564	336793809	/nfs/dbraw/zinc/79/38/09/336793809.db2.gz	LWLOHSCNRJHWHG-UHFFFAOYSA-N	0	3	312.417	2.845	20	30		DFEDHN
C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc2ncsc2c1	ZINC000362571369	336804343	/nfs/dbraw/zinc/80/43/43/336804343.db2.gz	XBYPCMDSLJQONJ-GFCCVEGCSA-N	0	3	316.430	2.709	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)CSCC#N)CC1	ZINC000116067093	336830682	/nfs/dbraw/zinc/83/06/82/336830682.db2.gz	DSGWHLWSAGRQIH-CQSZACIVSA-N	0	3	317.458	2.585	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1	ZINC000371550834	336907782	/nfs/dbraw/zinc/90/77/82/336907782.db2.gz	DERRTVSJOOGWPD-HKUYNNGSSA-N	0	3	314.429	2.554	20	30		DFEDHN
CCOc1ncccc1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21	ZINC000373232178	336953969	/nfs/dbraw/zinc/95/39/69/336953969.db2.gz	ZQOUMJHAYWHYJE-NXOAAHMSSA-N	0	3	315.417	2.810	20	30		DFEDHN
CCCCCCCN1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000374364902	336988243	/nfs/dbraw/zinc/98/82/43/336988243.db2.gz	MUBOSBXDICTPSW-UHFFFAOYSA-N	0	3	316.511	2.847	20	30		DFEDHN
C=CCC[C@@H](O)CN(Cc1cc(OC)ccc1OC)C1CC1	ZINC000122515124	337012208	/nfs/dbraw/zinc/01/22/08/337012208.db2.gz	BQTQDVYBEZWTSO-MRXNPFEDSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@@H](Cc3ccc(F)c(F)c3)C2)C1=O	ZINC000375612069	337014450	/nfs/dbraw/zinc/01/44/50/337014450.db2.gz	IORGPWNLAZSRGM-WMLDXEAASA-N	0	3	320.383	2.616	20	30		DFEDHN
N#CCSCCCN1CCCN(c2ccccc2F)CC1	ZINC000375855940	337021585	/nfs/dbraw/zinc/02/15/85/337021585.db2.gz	CRJQHNLSHWYJCM-UHFFFAOYSA-N	0	3	307.438	2.985	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000376446015	337033651	/nfs/dbraw/zinc/03/36/51/337033651.db2.gz	FCMGLQGNVHBBGP-KRWDZBQOSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCOCC[C@@H]1C)C(C)C	ZINC000376830851	337042325	/nfs/dbraw/zinc/04/23/25/337042325.db2.gz	FPVGHYWTASKMHJ-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C#CCOc1ccccc1CN(C)C[C@@H]1CCc2nccn2C1	ZINC000376966347	337044408	/nfs/dbraw/zinc/04/44/08/337044408.db2.gz	FWSWNBHCPRGOFX-INIZCTEOSA-N	0	3	309.413	2.590	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000377000158	337045031	/nfs/dbraw/zinc/04/50/31/337045031.db2.gz	CHVZHQCVFTTYGD-MRXNPFEDSA-N	0	3	320.481	2.976	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000377693926	337058798	/nfs/dbraw/zinc/05/87/98/337058798.db2.gz	DJCYYRCNQWZYEG-SFHVURJKSA-N	0	3	319.408	2.914	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCC#N	ZINC000377700150	337058987	/nfs/dbraw/zinc/05/89/87/337058987.db2.gz	JSADDJNKJAPBHI-IRXDYDNUSA-N	0	3	314.433	2.597	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000377882787	337063234	/nfs/dbraw/zinc/06/32/34/337063234.db2.gz	DRZYUXTVTYSORR-SJORKVTESA-N	0	3	313.445	2.704	20	30		DFEDHN
CCN1CCC(N(C(=O)c2ccc(CC#N)cc2)C2CC2)CC1	ZINC000378274007	337069170	/nfs/dbraw/zinc/06/91/70/337069170.db2.gz	PRIZMPBKMVQEMK-UHFFFAOYSA-N	0	3	311.429	2.842	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(C(=O)NC3CC3)CC2)c1	ZINC000378331882	337069919	/nfs/dbraw/zinc/06/99/19/337069919.db2.gz	GSCPXIVPVSDAPA-UHFFFAOYSA-N	0	3	314.429	2.742	20	30		DFEDHN
C=CCc1cc(CN2CCCC[C@@H](CO)C2)cc(OC)c1O	ZINC000378347905	337070609	/nfs/dbraw/zinc/07/06/09/337070609.db2.gz	XBDBGOQHBIPDCY-CQSZACIVSA-N	0	3	305.418	2.724	20	30		DFEDHN
C#CCCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000378406467	337072145	/nfs/dbraw/zinc/07/21/45/337072145.db2.gz	SKDDGRMSDBQOMQ-GOSISDBHSA-N	0	3	313.445	2.603	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCSC[C@H]1c1cccs1	ZINC000378417002	337072374	/nfs/dbraw/zinc/07/23/74/337072374.db2.gz	UQZJYRSBWZCMTL-ZDUSSCGKSA-N	0	3	323.487	2.600	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)CC1(N2CCOCC2)CCCC1	ZINC000378446677	337072868	/nfs/dbraw/zinc/07/28/68/337072868.db2.gz	BDJBFPZDRPGFCY-MRXNPFEDSA-N	0	3	308.466	2.883	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1	ZINC000360056922	337084598	/nfs/dbraw/zinc/08/45/98/337084598.db2.gz	ITAFDEQQDSHHJK-PBHICJAKSA-N	0	3	316.401	2.753	20	30		DFEDHN
N#CCCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000171592220	337088188	/nfs/dbraw/zinc/08/81/88/337088188.db2.gz	UIAVBPBCNMSTQT-MRXNPFEDSA-N	0	3	317.408	2.848	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccc(-n3cccc3)c2)CC1	ZINC000171723800	337088976	/nfs/dbraw/zinc/08/89/76/337088976.db2.gz	WOQRODCGJLSGSG-UHFFFAOYSA-N	0	3	309.413	2.858	20	30		DFEDHN
CCc1nsc(N2CCCN(CCCC(C)(C)C#N)CC2)n1	ZINC000174882954	337145150	/nfs/dbraw/zinc/14/51/50/337145150.db2.gz	VXKWYVCFPKLFOA-UHFFFAOYSA-N	0	3	321.494	2.943	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@@]2(O)CCSC2)ccc1OC	ZINC000176758205	337151594	/nfs/dbraw/zinc/15/15/94/337151594.db2.gz	AMBFDONAWYOWRN-KRWDZBQOSA-N	0	3	323.458	2.608	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1	ZINC000180893769	337178445	/nfs/dbraw/zinc/17/84/45/337178445.db2.gz	CQBANAGKWQHUMO-HUUCEWRRSA-N	0	3	307.397	2.537	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000184173573	337196726	/nfs/dbraw/zinc/19/67/26/337196726.db2.gz	RLRPXWALDQULSF-VYDXJSESSA-N	0	3	301.434	2.771	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000185419053	337205261	/nfs/dbraw/zinc/20/52/61/337205261.db2.gz	JACGFKQASMLRMI-GVDBMIGSSA-N	0	3	322.493	2.937	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@H]1COc2ccccc21	ZINC000185625792	337249743	/nfs/dbraw/zinc/24/97/43/337249743.db2.gz	WZSCGAMKSHRDNO-GOEBONIOSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=C(C)[C@H](NC1CCN(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000186453734	337256429	/nfs/dbraw/zinc/25/64/29/337256429.db2.gz	TWMSZEOPLWUHDI-HNNXBMFYSA-N	0	3	309.360	2.715	20	30		DFEDHN
C=CCn1c(SC[C@H]2CCN(C)C2)nnc1-c1ccco1	ZINC000187676239	337269105	/nfs/dbraw/zinc/26/91/05/337269105.db2.gz	UEPGCGDIMWSAMS-LBPRGKRZSA-N	0	3	304.419	2.768	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)COc1cc(C)ccc1Cl	ZINC000191093621	337293948	/nfs/dbraw/zinc/29/39/48/337293948.db2.gz	IQHBQKBZZWAABQ-CQSZACIVSA-N	0	3	313.825	2.523	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CNCCC1(F)F	ZINC000418780125	337396933	/nfs/dbraw/zinc/39/69/33/337396933.db2.gz	ZWOVHPYMCSLCQE-OAHLLOKOSA-N	0	3	323.387	2.772	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000135009390	337450434	/nfs/dbraw/zinc/45/04/34/337450434.db2.gz	XXGSOZKLPMFDFR-GPMSIDNRSA-N	0	3	322.493	2.937	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)NCC1(C#N)CCC1)c1ccco1	ZINC000419513615	337486411	/nfs/dbraw/zinc/48/64/11/337486411.db2.gz	ZNBBBEOZYOKGSY-ZIAGYGMSSA-N	0	3	318.421	2.702	20	30		DFEDHN
C=CCC[C@@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1	ZINC000419970995	337494709	/nfs/dbraw/zinc/49/47/09/337494709.db2.gz	CSEYAPUGHVXHMT-MJGOQNOKSA-N	0	3	318.461	2.555	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1	ZINC000424060670	337730941	/nfs/dbraw/zinc/73/09/41/337730941.db2.gz	DAKQCRPDFIOOPG-JKSUJKDBSA-N	0	3	303.406	2.530	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCCC#N	ZINC000424060713	337730970	/nfs/dbraw/zinc/73/09/70/337730970.db2.gz	DBUVUFZEBZZLBD-GFCCVEGCSA-N	0	3	311.838	2.937	20	30		DFEDHN
CCOc1ccccc1[C@H](CC)NC(=O)[C@H](N)CCCC#N	ZINC000424086313	337731937	/nfs/dbraw/zinc/73/19/37/337731937.db2.gz	GMNWDRPRWAMFNC-CABCVRRESA-N	0	3	303.406	2.674	20	30		DFEDHN
CCCCOc1ccc(OC)cc1NC(=O)[C@H](N)CCCC#N	ZINC000424097365	337733705	/nfs/dbraw/zinc/73/37/05/337733705.db2.gz	JRDXVQCSJDMLMG-CQSZACIVSA-N	0	3	319.405	2.834	20	30		DFEDHN
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000424119574	337743616	/nfs/dbraw/zinc/74/36/16/337743616.db2.gz	FURTUAUKQGCISZ-GLQYFDAESA-N	0	3	323.824	2.553	20	30		DFEDHN
CC1CCC(OC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)CC1	ZINC000424121308	337745786	/nfs/dbraw/zinc/74/57/86/337745786.db2.gz	FULVMXKUEVUOIP-DQPZFDDXSA-N	0	3	321.465	2.594	20	30		DFEDHN
CC(C)(C)c1cccc(OCCNC(=O)[C@H](N)CCCC#N)c1	ZINC000424135021	337753516	/nfs/dbraw/zinc/75/35/16/337753516.db2.gz	YTUQFMFXIPPLCZ-MRXNPFEDSA-N	0	3	317.433	2.500	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCCC1	ZINC000424136679	337756291	/nfs/dbraw/zinc/75/62/91/337756291.db2.gz	NZEUSOLOWCOBGX-AWEZNQCLSA-N	0	3	300.406	2.637	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCC#N)Oc1cccc(Cl)c1	ZINC000424157370	337784360	/nfs/dbraw/zinc/78/43/60/337784360.db2.gz	SGQFAGURVTVZKU-DZGCQCFKSA-N	0	3	323.824	2.635	20	30		DFEDHN
CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424165862	337789687	/nfs/dbraw/zinc/78/96/87/337789687.db2.gz	FMWWRVKJVINNBK-RHSMWYFYSA-N	0	3	301.434	2.878	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000528321873	337801871	/nfs/dbraw/zinc/80/18/71/337801871.db2.gz	MVKQLFSMEROMJI-UHFFFAOYSA-N	0	3	303.406	2.895	20	30		DFEDHN
CC[C@@]1(O)CCN(Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000428433889	338051205	/nfs/dbraw/zinc/05/12/05/338051205.db2.gz	FGNXFDMVFCQBGF-GOSISDBHSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000428533485	338055678	/nfs/dbraw/zinc/05/56/78/338055678.db2.gz	DPEUVMJEMMOHFA-WMZOPIPTSA-N	0	3	302.418	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cn(C)c3ccc(F)cc23)CC1	ZINC000431632721	338135174	/nfs/dbraw/zinc/13/51/74/338135174.db2.gz	ILLYXGXSIQPROS-UHFFFAOYSA-N	0	3	315.392	2.698	20	30		DFEDHN
CN(C)c1ncccc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000433225735	338186697	/nfs/dbraw/zinc/18/66/97/338186697.db2.gz	JTSFWNLJCBQPMS-INIZCTEOSA-N	0	3	322.412	2.536	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C#N)CCc1ccccc1	ZINC000433294761	338189820	/nfs/dbraw/zinc/18/98/20/338189820.db2.gz	ATDKKCMAJKOOOP-ZWKOTPCHSA-N	0	3	315.461	2.851	20	30		DFEDHN
N#CCCn1cc(CNCCC(F)(F)F)c(-c2ccncc2)n1	ZINC000433309898	338191236	/nfs/dbraw/zinc/19/12/36/338191236.db2.gz	FDIPJUSUJPFQRZ-UHFFFAOYSA-N	0	3	323.322	2.901	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1	ZINC000433373145	338194230	/nfs/dbraw/zinc/19/42/30/338194230.db2.gz	JJTYEKLLEUIGTC-MSOLQXFVSA-N	0	3	308.381	2.609	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)CN1C1CC1	ZINC000433388796	338194499	/nfs/dbraw/zinc/19/44/99/338194499.db2.gz	VPCRTKUKPBEHHW-DJIMGWMZSA-N	0	3	311.429	2.500	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C	ZINC000436252640	338263656	/nfs/dbraw/zinc/26/36/56/338263656.db2.gz	JKCHHUBCJJTGSC-IAGOWNOFSA-N	0	3	323.481	2.712	20	30		DFEDHN
CC1(C)CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1O	ZINC000438336109	338340001	/nfs/dbraw/zinc/34/00/01/338340001.db2.gz	SSXFLWCMGPUEJT-QGZVFWFLSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nc(CC)cs2)CC1	ZINC000438574653	338348730	/nfs/dbraw/zinc/34/87/30/338348730.db2.gz	AVCSZVVIQNWVCX-UHFFFAOYSA-N	0	3	308.451	2.868	20	30		DFEDHN
N#C[C@@H]1CC[C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C1	ZINC000442715167	338428812	/nfs/dbraw/zinc/42/88/12/338428812.db2.gz	ZGAIYRNESDMYOQ-PBHICJAKSA-N	0	3	323.396	2.991	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCCCCC2)cc1	ZINC000448676862	338433821	/nfs/dbraw/zinc/43/38/21/338433821.db2.gz	JYGKLHLTLRROMP-UHFFFAOYSA-N	0	3	316.445	2.786	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)N2CCCC2)cc1	ZINC000448829379	338576478	/nfs/dbraw/zinc/57/64/78/338576478.db2.gz	YBYVEMPKPBQWJV-AYBZRNKSSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3ccncc3s2)CC1	ZINC000448924585	338579916	/nfs/dbraw/zinc/57/99/16/338579916.db2.gz	YNGDENZNUNTIJH-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
C=C[C@@H](CO)NC1CC(c2ccc(Br)cc2F)C1	ZINC000449328906	338613489	/nfs/dbraw/zinc/61/34/89/338613489.db2.gz	LOIHDLVZQFVRLF-ZYXZCXLHSA-N	0	3	314.198	2.971	20	30		DFEDHN
C=CC(C)(C)CNCc1cc2c(cc1OCCOC)OCO2	ZINC000449486725	338629862	/nfs/dbraw/zinc/62/98/62/338629862.db2.gz	UXRPLFQHJCMGMQ-UHFFFAOYSA-N	0	3	307.390	2.742	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000449516853	338633880	/nfs/dbraw/zinc/63/38/80/338633880.db2.gz	CVANDPRTCZXHFJ-KGLIPLIRSA-N	0	3	309.793	2.934	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000453369904	338833097	/nfs/dbraw/zinc/83/30/97/338833097.db2.gz	TWOKSGVEINASLT-LNSITVRQSA-N	0	3	306.362	2.988	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C2CC2)C2CCC2)CC1	ZINC000454462858	338864351	/nfs/dbraw/zinc/86/43/51/338864351.db2.gz	LFAORMWXPPWVTN-KRWDZBQOSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H]2CCCCC2(F)F)CC1	ZINC000454554868	338866643	/nfs/dbraw/zinc/86/66/43/338866643.db2.gz	XNBWUJLCZJJWJU-CYBMUJFWSA-N	0	3	315.408	2.762	20	30		DFEDHN
CN(C)[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000455703265	338904019	/nfs/dbraw/zinc/90/40/19/338904019.db2.gz	MFPDNHSAAGJTAC-GFCCVEGCSA-N	0	3	306.797	2.574	20	30		DFEDHN
C=CCC[C@H](CO)NC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000456753664	338939139	/nfs/dbraw/zinc/93/91/39/338939139.db2.gz	GPUZXPQZDULIQP-GOSISDBHSA-N	0	3	316.445	2.729	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1CF)C(C)C	ZINC000457755627	338977465	/nfs/dbraw/zinc/97/74/65/338977465.db2.gz	RYRDEHQVIQAEIC-HZPDHXFCSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[C@@H](C)O1)C(C)C	ZINC000457763528	338977908	/nfs/dbraw/zinc/97/79/08/338977908.db2.gz	ZCWHDUMSVHDUCK-BRWVUGGUSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)C#N	ZINC000458614360	339001820	/nfs/dbraw/zinc/00/18/20/339001820.db2.gz	HLBQSLAQSHLHMZ-OAHLLOKOSA-N	0	3	316.449	2.698	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000458682403	339003271	/nfs/dbraw/zinc/00/32/71/339003271.db2.gz	SJNKGSDNRYJNTR-GOSISDBHSA-N	0	3	313.445	2.562	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000459023154	339011452	/nfs/dbraw/zinc/01/14/52/339011452.db2.gz	YQXDVZXHHFFOOU-IRXDYDNUSA-N	0	3	320.481	2.976	20	30		DFEDHN
COCC1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000459465793	339030815	/nfs/dbraw/zinc/03/08/15/339030815.db2.gz	XUNWCAZWESAMIL-GOSISDBHSA-N	0	3	313.445	2.513	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1	ZINC000459483282	339032035	/nfs/dbraw/zinc/03/20/35/339032035.db2.gz	MQBKPLAUFVLKMO-RKTXRCNFSA-N	0	3	307.459	2.851	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@]2(C)CCCc3ccccc32)CC1	ZINC000490950432	339844631	/nfs/dbraw/zinc/84/46/31/339844631.db2.gz	QPWMAJLSOUSORE-HXUWFJFHSA-N	0	3	310.441	2.700	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H]2CCc3c2cccc3Cl)CC1	ZINC000491103885	339849094	/nfs/dbraw/zinc/84/90/94/339849094.db2.gz	QXPFWNOKKXKIDD-KRWDZBQOSA-N	0	3	316.832	2.789	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@@H](C)c2ccccc2Cl)CC1	ZINC000491203476	339853207	/nfs/dbraw/zinc/85/32/07/339853207.db2.gz	WNIMMEJIGWZAHT-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000491618867	339868660	/nfs/dbraw/zinc/86/86/60/339868660.db2.gz	CZEZDXOWQLXRNC-MRXNPFEDSA-N	0	3	312.413	2.552	20	30		DFEDHN
C#C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccc(F)cc1	ZINC000491782720	339881258	/nfs/dbraw/zinc/88/12/58/339881258.db2.gz	PKLNEKGUQYMZSV-QILLFSRXSA-N	0	3	313.376	2.601	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CC1=Nn1cnnc1)C2(C)C	ZINC000496543027	340007520	/nfs/dbraw/zinc/00/75/20/340007520.db2.gz	PEQPISLWUVBLCE-ZBEGNZNMSA-N	0	3	319.409	2.586	20	30		DFEDHN
C=C(Br)CNCC1(CNC(=O)OC(C)(C)C)CC1	ZINC000496927822	340016428	/nfs/dbraw/zinc/01/64/28/340016428.db2.gz	FUYQPQVJHLBSIZ-UHFFFAOYSA-N	0	3	319.243	2.790	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC=C(CN[C@H]2CC[C@@H](C#N)C2)CC1	ZINC000497039124	340018831	/nfs/dbraw/zinc/01/88/31/340018831.db2.gz	SVSCLIPFFSHNQM-CABCVRRESA-N	0	3	305.422	2.835	20	30		DFEDHN
C[C@H](C#N)CNCC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000497040840	340018869	/nfs/dbraw/zinc/01/88/69/340018869.db2.gz	YFZFJPSWTDXCHK-OAHLLOKOSA-N	0	3	315.417	2.784	20	30		DFEDHN
Cc1nnc(NC(=O)C(C#N)c2nc(C(C)C)cs2)s1	ZINC000505449296	340168744	/nfs/dbraw/zinc/16/87/44/340168744.db2.gz	MUXUBIMBECKUNR-MRVPVSSYSA-N	0	3	307.404	2.672	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CNC1(CO)CCCC1	ZINC000304874253	340371434	/nfs/dbraw/zinc/37/14/34/340371434.db2.gz	HEAZJOODZARHDJ-UHFFFAOYSA-N	0	3	320.458	2.798	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2CN)c1	ZINC000517369890	340468685	/nfs/dbraw/zinc/46/86/85/340468685.db2.gz	BQMRBZRXSRVTGE-SFHVURJKSA-N	0	3	320.396	2.843	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2CCc3ccccc3CC2)CC1	ZINC000528451842	340719832	/nfs/dbraw/zinc/71/98/32/340719832.db2.gz	ZXODCPLKEANJIJ-UHFFFAOYSA-N	0	3	312.457	2.948	20	30		DFEDHN
N#CCNC(=O)CNC1(c2ccc(Cl)cc2)CCCCC1	ZINC000066497592	340847596	/nfs/dbraw/zinc/84/75/96/340847596.db2.gz	VOHCTBGEXLSROL-UHFFFAOYSA-N	0	3	305.809	2.729	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC(CC#N)CC2)c1	ZINC000543772130	341057887	/nfs/dbraw/zinc/05/78/87/341057887.db2.gz	OZPTYSCMEPYNHK-UHFFFAOYSA-N	0	3	314.433	2.583	20	30		DFEDHN
C=CCNC(=O)CN1CCN(C[C@H](C)CC2CCCCC2)CC1	ZINC000544611637	341089106	/nfs/dbraw/zinc/08/91/06/341089106.db2.gz	OONKYIRFQPZBHZ-QGZVFWFLSA-N	0	3	321.509	2.513	20	30		DFEDHN
C=CCCCN(C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F	ZINC000076737017	341213206	/nfs/dbraw/zinc/21/32/06/341213206.db2.gz	AXZWZKSBAUOOEO-ZDUSSCGKSA-N	0	3	310.388	2.910	20	30		DFEDHN
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC1CC1	ZINC000077194694	341220413	/nfs/dbraw/zinc/22/04/13/341220413.db2.gz	SITSLZAQJOGBPZ-AWEZNQCLSA-N	0	3	315.417	2.672	20	30		DFEDHN
C=CCOCCCN[C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000547767903	341231211	/nfs/dbraw/zinc/23/12/11/341231211.db2.gz	JRFVPVBKRPSTIT-CQSZACIVSA-N	0	3	303.324	2.921	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3cccc(O)c32)CC1	ZINC000550381469	341316113	/nfs/dbraw/zinc/31/61/13/341316113.db2.gz	IMUOPCQMGGCENP-MRXNPFEDSA-N	0	3	314.429	2.579	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](C(=O)OC)[C@@H](C)C2)c1	ZINC000248925360	341390225	/nfs/dbraw/zinc/39/02/25/341390225.db2.gz	XYRMWFYNFITPFJ-WMLDXEAASA-N	0	3	303.402	2.882	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCc3ccccc3[C@H]2CN)cc1	ZINC000564971066	341514227	/nfs/dbraw/zinc/51/42/27/341514227.db2.gz	IHYOZYYXKTXPKG-GOSISDBHSA-N	0	3	320.396	2.843	20	30		DFEDHN
C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCC(=O)N2	ZINC000566221763	341551144	/nfs/dbraw/zinc/55/11/44/341551144.db2.gz	QSAAEZHJRSBZIZ-ZDUSSCGKSA-N	0	3	321.380	2.934	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(CCOCC)CC2)CC1	ZINC000155712925	341611757	/nfs/dbraw/zinc/61/17/57/341611757.db2.gz	PAHAARKZFLCWHU-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)CC1	ZINC000454542965	517332048	/nfs/dbraw/zinc/33/20/48/517332048.db2.gz	LOAWEJCTMUWFLB-WXSAJPJJSA-N	0	3	317.477	2.714	20	30		DFEDHN
Cc1ccc2nccc(NCCCc3[nH]nc(N)c3C#N)c2c1	ZINC000302171999	534522971	/nfs/dbraw/zinc/52/29/71/534522971.db2.gz	VBKHHZFNVBSIIC-UHFFFAOYSA-N	0	3	306.373	2.765	20	30		DFEDHN
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21	ZINC000365005078	523024677	/nfs/dbraw/zinc/02/46/77/523024677.db2.gz	WCPWCVXZFLNEOS-ZWKOTPCHSA-N	0	3	307.397	2.996	20	30		DFEDHN
Cc1ccc(O)c(CN2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000271026916	525342629	/nfs/dbraw/zinc/34/26/29/525342629.db2.gz	FUQMIXKEHVNZHM-UHFFFAOYSA-N	0	3	321.424	2.890	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1C#N	ZINC000365138132	527223280	/nfs/dbraw/zinc/22/32/80/527223280.db2.gz	OKEJSVOCNQXSJI-ZWKOTPCHSA-N	0	3	312.392	2.571	20	30		DFEDHN
CCOCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C	ZINC000246416596	535607543	/nfs/dbraw/zinc/60/75/43/535607543.db2.gz	RFEGTAXFDGYTRB-HZPDHXFCSA-N	0	3	301.434	2.662	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CO)[C@H](C)c1ccccc1	ZINC000680987787	545576532	/nfs/dbraw/zinc/57/65/32/545576532.db2.gz	BHWQQUJJUDHEKK-SOLBZPMBSA-N	0	3	318.461	2.554	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc(F)c(F)c1	ZINC000681317966	545627877	/nfs/dbraw/zinc/62/78/77/545627877.db2.gz	WBJMBFFUBQNTSE-CZUORRHYSA-N	0	3	323.387	2.975	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC000681445444	545641130	/nfs/dbraw/zinc/64/11/30/545641130.db2.gz	SNLCHXCYEBIBLK-CXAGYDPISA-N	0	3	304.821	2.538	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@@H](C)C1	ZINC000681444268	545641153	/nfs/dbraw/zinc/64/11/53/545641153.db2.gz	NAPSESFCDXXVPF-GUYCJALGSA-N	0	3	304.821	2.538	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@@H](C)C1	ZINC000681444269	545641352	/nfs/dbraw/zinc/64/13/52/545641352.db2.gz	NAPSESFCDXXVPF-SUMWQHHRSA-N	0	3	304.821	2.538	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@H](C)C1	ZINC000681444267	545641623	/nfs/dbraw/zinc/64/16/23/545641623.db2.gz	NAPSESFCDXXVPF-DYVFJYSZSA-N	0	3	304.821	2.538	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000682358808	545828630	/nfs/dbraw/zinc/82/86/30/545828630.db2.gz	MZDVPPJSUNVNQV-SFHVURJKSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000683529182	546054177	/nfs/dbraw/zinc/05/41/77/546054177.db2.gz	NPOREYPBQVJDCY-QWRGUYRKSA-N	0	3	303.328	2.545	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000684987814	546313917	/nfs/dbraw/zinc/31/39/17/546313917.db2.gz	MCPNWMATWMEHBC-DLBZAZTESA-N	0	3	301.434	2.765	20	30		DFEDHN
C=CCN1CC[C@@H](N(CCC)Cc2ccc(OC)cc2)C1=O	ZINC000685000378	546317325	/nfs/dbraw/zinc/31/73/25/546317325.db2.gz	RMINOGHHFKMUHU-QGZVFWFLSA-N	0	3	302.418	2.694	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCF)c1)c1ccc2ccccc2n1	ZINC000685143036	546328449	/nfs/dbraw/zinc/32/84/49/546328449.db2.gz	IDCROLAEEMEDIY-CQSZACIVSA-N	0	3	308.316	2.891	20	30		DFEDHN
C#CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1	ZINC000735374820	598681534	/nfs/dbraw/zinc/68/15/34/598681534.db2.gz	LZFLFIDZZBFAQX-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1	ZINC000735374820	598681535	/nfs/dbraw/zinc/68/15/35/598681535.db2.gz	LZFLFIDZZBFAQX-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1	ZINC000735374820	598681536	/nfs/dbraw/zinc/68/15/36/598681536.db2.gz	LZFLFIDZZBFAQX-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C#CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1	ZINC000735374820	598681537	/nfs/dbraw/zinc/68/15/37/598681537.db2.gz	LZFLFIDZZBFAQX-UHFFFAOYSA-N	0	3	313.380	2.774	20	30		DFEDHN
C=CC[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccncc1	ZINC000819735059	606219243	/nfs/dbraw/zinc/21/92/43/606219243.db2.gz	ZYBSMPVLCPSQCB-CQSZACIVSA-N	0	3	312.402	2.730	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824612017	608467649	/nfs/dbraw/zinc/46/76/49/608467649.db2.gz	ICLUIUZUKPPZFR-NSHDSACASA-N	0	3	322.347	2.728	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000076737488	185037900	/nfs/dbraw/zinc/03/79/00/185037900.db2.gz	HPWOGWMFGMCPQH-ZDUSSCGKSA-N	0	3	304.390	2.683	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)CC1	ZINC000181256259	199272600	/nfs/dbraw/zinc/27/26/00/199272600.db2.gz	ZGVZRZRQMDQDPN-UHFFFAOYSA-N	0	3	317.433	2.681	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(Br)cc2C#N)C[C@H](C)N1C	ZINC000311554737	231117992	/nfs/dbraw/zinc/11/79/92/231117992.db2.gz	QKJSFPAVDMYHND-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCn1c(SCCN(CC)CC)nnc1-c1ccncc1	ZINC000181305994	199278592	/nfs/dbraw/zinc/27/85/92/199278592.db2.gz	INUBUEGHWXTPDC-UHFFFAOYSA-N	0	3	317.462	2.960	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCCCO	ZINC000278756503	214378466	/nfs/dbraw/zinc/37/84/66/214378466.db2.gz	BGTZYIYECSGNET-HNNXBMFYSA-N	0	3	324.490	2.746	20	30		DFEDHN
Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)o1	ZINC000065931144	398351041	/nfs/dbraw/zinc/35/10/41/398351041.db2.gz	ODEUKYZIDVUFFN-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
CCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCN(C)C1	ZINC000591916902	398353594	/nfs/dbraw/zinc/35/35/94/398353594.db2.gz	CPRWTYGCEDZDBE-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](Cc1cccc(C)c1)C1CC1	ZINC000272843633	210240493	/nfs/dbraw/zinc/24/04/93/210240493.db2.gz	JYPITYSKCICLLH-QGZVFWFLSA-N	0	3	307.459	2.507	20	30		DFEDHN
C[C@H](C#N)CNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000578437854	398372784	/nfs/dbraw/zinc/37/27/84/398372784.db2.gz	GLBVXEIGGMKRQO-CQSZACIVSA-N	0	3	308.470	2.688	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1ccnc(Oc2ccccc2)c1	ZINC000592022491	398374140	/nfs/dbraw/zinc/37/41/40/398374140.db2.gz	AJGCXYMUDNSLQS-INIZCTEOSA-N	0	3	324.384	2.511	20	30		DFEDHN
C=CCNC(=O)CN1CCN(CC[C@@H](C)CCC=C(C)C)CC1	ZINC000578544049	398373625	/nfs/dbraw/zinc/37/36/25/398373625.db2.gz	UAYYZIRFBMHETK-SFHVURJKSA-N	0	3	321.509	2.679	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN[C@H]2CCC[C@H]2F)c(OC)c1	ZINC000578499312	398373668	/nfs/dbraw/zinc/37/36/68/398373668.db2.gz	ILRADTFMEXQMKR-XHSDSOJGSA-N	0	3	323.408	2.644	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)C[C@H]2CC)cc(OC)c1O	ZINC000579623860	398381799	/nfs/dbraw/zinc/38/17/99/398381799.db2.gz	APVQWGHAINLTAZ-MRXNPFEDSA-N	0	3	304.434	2.655	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1Cc1ccccc1	ZINC000272829273	210227738	/nfs/dbraw/zinc/22/77/38/210227738.db2.gz	HGZQBNKZCLMZBT-DLBZAZTESA-N	0	3	307.459	2.588	20	30		DFEDHN
N#Cc1cnccc1CNC1(Cc2ccccc2)CCOCC1	ZINC000592124710	398387313	/nfs/dbraw/zinc/38/73/13/398387313.db2.gz	FVIBDGZIMBFAON-UHFFFAOYSA-N	0	3	307.397	2.835	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C	ZINC000592129850	398387940	/nfs/dbraw/zinc/38/79/40/398387940.db2.gz	ZWGSCQLZMQCRBA-CZUORRHYSA-N	0	3	300.402	2.729	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000581255836	398388880	/nfs/dbraw/zinc/38/88/80/398388880.db2.gz	PHFUHEFFNFVYJW-HACGYAERSA-N	0	3	319.836	2.651	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H]1[C@@H]1CCCOC1	ZINC000592134948	398389470	/nfs/dbraw/zinc/38/94/70/398389470.db2.gz	VIZBOFGPBWISRN-WBVHZDCISA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCOCCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1	ZINC000581615989	398391900	/nfs/dbraw/zinc/39/19/00/398391900.db2.gz	ZCLJCFOTFZZLLW-QAQDUYKDSA-N	0	3	305.418	2.700	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000581707988	398392493	/nfs/dbraw/zinc/39/24/93/398392493.db2.gz	CXYNQBZATZTOLW-ZMYBRWDISA-N	0	3	324.424	2.950	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@@H]([C@H]2CCCC2(C)C)C1)C1CC1	ZINC000592154273	398393700	/nfs/dbraw/zinc/39/37/00/398393700.db2.gz	NYEXPGSRJCULQV-IDHHARJASA-N	0	3	317.477	2.943	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(c2ccnn2C)CC1	ZINC000092810483	185342851	/nfs/dbraw/zinc/34/28/51/185342851.db2.gz	CNJZXWMAVBOBDH-UHFFFAOYSA-N	0	3	309.413	2.812	20	30		DFEDHN
N#Cc1ccc(CNCCCS(=O)(=O)c2ccccc2)cc1	ZINC000066877669	398405193	/nfs/dbraw/zinc/40/51/93/398405193.db2.gz	GMPROOBIHDQDHA-UHFFFAOYSA-N	0	3	314.410	2.512	20	30		DFEDHN
CCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H]1CCN(CC)C1	ZINC000596436404	398412266	/nfs/dbraw/zinc/41/22/66/398412266.db2.gz	JKAXBVUPRVFQTE-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000272783362	210186747	/nfs/dbraw/zinc/18/67/47/210186747.db2.gz	SFTZGPNAFXXJBJ-CQSZACIVSA-N	0	3	300.402	2.632	20	30		DFEDHN
CC[C@H](NCc1ccc(C#N)cc1)C(=O)NCc1cccs1	ZINC000592374073	398417439	/nfs/dbraw/zinc/41/74/39/398417439.db2.gz	COLTYWBWJVYEAW-INIZCTEOSA-N	0	3	313.426	2.804	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(C#N)cc1F	ZINC000592396648	398420949	/nfs/dbraw/zinc/42/09/49/398420949.db2.gz	ILBPQLRTAXIVJL-PXAZEXFGSA-N	0	3	306.381	2.526	20	30		DFEDHN
C[C@@H]1C[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)CO1	ZINC000592378219	398417960	/nfs/dbraw/zinc/41/79/60/398417960.db2.gz	AXXOMMOKWVWBBU-PBHICJAKSA-N	0	3	310.401	2.731	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c(C)n2)N(C)C)cc1	ZINC000067267772	398425637	/nfs/dbraw/zinc/42/56/37/398425637.db2.gz	NFEGUDFOTRJQBJ-SFHVURJKSA-N	0	3	322.412	2.603	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(C#N)c(F)c1	ZINC000592398890	398421979	/nfs/dbraw/zinc/42/19/79/398421979.db2.gz	WCHGWYWDARIPHD-SJCJKPOMSA-N	0	3	306.381	2.526	20	30		DFEDHN
CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H]1CCN(C)C1	ZINC000596502650	398432320	/nfs/dbraw/zinc/43/23/20/398432320.db2.gz	HEIOVZBOLPBTCO-SJORKVTESA-N	0	3	314.433	2.767	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C2CC2)cc1	ZINC000025259142	398438732	/nfs/dbraw/zinc/43/87/32/398438732.db2.gz	OMKHTNQAPGNWCJ-IBGZPJMESA-N	0	3	322.408	2.963	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)CC1	ZINC000592498553	398434513	/nfs/dbraw/zinc/43/45/13/398434513.db2.gz	URCXSJMGECKUIN-CZUORRHYSA-N	0	3	317.433	2.853	20	30		DFEDHN
C[C@H]1CC2(CN1Cc1cnc3ccc(C#N)cn13)CCOCC2	ZINC000592527161	398442891	/nfs/dbraw/zinc/44/28/91/398442891.db2.gz	LWRWPOVGEMNFBU-AWEZNQCLSA-N	0	3	310.401	2.597	20	30		DFEDHN
CC(C)[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CC12CC=CC2	ZINC000592527724	398443117	/nfs/dbraw/zinc/44/31/17/398443117.db2.gz	OCABRWWHXFAAAJ-INIZCTEOSA-N	0	3	307.401	2.778	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2Br)CC1(C)C	ZINC000585717043	398441273	/nfs/dbraw/zinc/44/12/73/398441273.db2.gz	XZPNPWHWZLFJNL-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1	ZINC000302475193	529958297	/nfs/dbraw/zinc/95/82/97/529958297.db2.gz	VEGQETQQZGGXTE-FQEVSTJZSA-N	0	3	321.424	2.631	20	30		DFEDHN
C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1=CCN(C)CC1	ZINC000272755315	210159440	/nfs/dbraw/zinc/15/94/40/210159440.db2.gz	ULTJDMFLVGHCEN-LLVKDONJSA-N	0	3	318.808	2.984	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1	ZINC000067707210	398452603	/nfs/dbraw/zinc/45/26/03/398452603.db2.gz	YFGSWIIIYZAOJK-SFHVURJKSA-N	0	3	316.420	2.984	20	30		DFEDHN
C[C@@H](CC#N)c1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000596582973	398453698	/nfs/dbraw/zinc/45/36/98/398453698.db2.gz	PVVOJGJJZPCMRM-LBPRGKRZSA-N	0	3	300.362	2.694	20	30		DFEDHN
N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCC1	ZINC000586776518	398456681	/nfs/dbraw/zinc/45/66/81/398456681.db2.gz	VHWIBPNCMHCIMU-KURKYZTESA-N	0	3	323.440	2.817	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1	ZINC000586802993	398462662	/nfs/dbraw/zinc/46/26/62/398462662.db2.gz	IJOHKGXXSUYQIF-GOSISDBHSA-N	0	3	315.417	2.522	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1[C@H]1CCCO1	ZINC000586833907	398466007	/nfs/dbraw/zinc/46/60/07/398466007.db2.gz	WCELTMUKYBTRQM-RCCFBDPRSA-N	0	3	312.413	2.929	20	30		DFEDHN
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000330811234	232085520	/nfs/dbraw/zinc/08/55/20/232085520.db2.gz	OQFATPAWOZMVID-IRXDYDNUSA-N	0	3	312.417	2.695	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1	ZINC000068118810	398480434	/nfs/dbraw/zinc/48/04/34/398480434.db2.gz	NNUWCQJQXXWJAN-QWQZETEVSA-N	0	3	317.433	2.517	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@H](C)CC#N)c1cccc(OC)c1	ZINC000596711259	398483238	/nfs/dbraw/zinc/48/32/38/398483238.db2.gz	RDYQOMNJIUAHRL-RHSMWYFYSA-N	0	3	317.433	2.744	20	30		DFEDHN
CC1(CC(F)F)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1	ZINC000592833846	398492904	/nfs/dbraw/zinc/49/29/04/398492904.db2.gz	BDUIYELQHBAEEA-CQSZACIVSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)CCN(C2CCC2)C1	ZINC000596754746	398493418	/nfs/dbraw/zinc/49/34/18/398493418.db2.gz	AEANHHMDUIOUET-ZMSDIMECSA-N	0	3	318.465	2.585	20	30		DFEDHN
CCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1C#N	ZINC000302864855	398496440	/nfs/dbraw/zinc/49/64/40/398496440.db2.gz	RJBOYWLMODEVJK-GOSISDBHSA-N	0	3	310.397	2.820	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCCC[C@@H]1C#N	ZINC000596763744	398496471	/nfs/dbraw/zinc/49/64/71/398496471.db2.gz	PRSBAAMIEPZTGP-SJORKVTESA-N	0	3	320.481	2.976	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(C#N)cc1	ZINC000030532647	398503249	/nfs/dbraw/zinc/50/32/49/398503249.db2.gz	WKNZWVTYYZYTOP-RDTXWAMCSA-N	0	3	321.380	2.520	20	30		DFEDHN
C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(C#N)cc1	ZINC000031106276	398511484	/nfs/dbraw/zinc/51/14/84/398511484.db2.gz	JOIYPTPOPOXRDE-CYBMUJFWSA-N	0	3	312.417	2.545	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)NCC1(C#N)CCCCC1	ZINC000596864202	398517387	/nfs/dbraw/zinc/51/73/87/398517387.db2.gz	YMKNEQVXJHXQEM-UHFFFAOYSA-N	0	3	308.470	2.690	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596865603	398518147	/nfs/dbraw/zinc/51/81/47/398518147.db2.gz	DMQYMIUALWRLDQ-UHFFFAOYSA-N	0	3	320.481	2.976	20	30		DFEDHN
CC(C)N1CCCN(C(=O)NCC2(C#N)CCCCC2)CC1	ZINC000596866911	398518197	/nfs/dbraw/zinc/51/81/97/398518197.db2.gz	RKWRJHZGSHDQHN-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)Nc2ccc(C#N)cc2)c1	ZINC000031726017	398520901	/nfs/dbraw/zinc/52/09/01/398520901.db2.gz	NDXXTNLUKCQZHQ-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
C[C@H]1CC2(CN1Cc1ccc(C#N)cc1[N+](=O)[O-])CCOCC2	ZINC000593035516	398527189	/nfs/dbraw/zinc/52/71/89/398527189.db2.gz	QCQAANWTUAAXEX-ZDUSSCGKSA-N	0	3	315.373	2.857	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cccc(CC#N)c1	ZINC000596929384	398531246	/nfs/dbraw/zinc/53/12/46/398531246.db2.gz	OFJIWNHEGKQZCY-OAHLLOKOSA-N	0	3	300.406	2.747	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(C3(O)CC3)CC2)c1	ZINC000593051728	398531758	/nfs/dbraw/zinc/53/17/58/398531758.db2.gz	VHBQFDWWWWTZIF-UHFFFAOYSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H]1CCOC[C@@H]1C	ZINC000277645983	213660622	/nfs/dbraw/zinc/66/06/22/213660622.db2.gz	ZUCOOEFGLTVAEZ-KBPBESRZSA-N	0	3	320.458	2.918	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N1CCC(N2CCc3ccccc3C2)CC1	ZINC000596978313	398539789	/nfs/dbraw/zinc/53/97/89/398539789.db2.gz	ZKEHUIFHWBILCO-HNNXBMFYSA-N	0	3	311.429	2.585	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000596982967	398540412	/nfs/dbraw/zinc/54/04/12/398540412.db2.gz	AJLALSZGJXYZQY-KRWDZBQOSA-N	0	3	311.429	2.590	20	30		DFEDHN
C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccccc21	ZINC000593090299	398542436	/nfs/dbraw/zinc/54/24/36/398542436.db2.gz	IAPINELDSSQNJL-AUUYWEPGSA-N	0	3	319.408	2.746	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](CCC(N)=O)C3)cc2)CC1	ZINC000596996192	398543215	/nfs/dbraw/zinc/54/32/15/398543215.db2.gz	SALNDHWJTQLKMN-HNNXBMFYSA-N	0	3	311.429	2.719	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCc2ccccc2[C@H](C)C1	ZINC000593096882	398544609	/nfs/dbraw/zinc/54/46/09/398544609.db2.gz	WKYZTXVZLDQIEO-JKSUJKDBSA-N	0	3	313.445	2.656	20	30		DFEDHN
Cc1ccc(O)c(CN2CCCN(c3ccccc3C#N)CC2)n1	ZINC000091792318	398546033	/nfs/dbraw/zinc/54/60/33/398546033.db2.gz	WCIZQEQXTDGFQC-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1	ZINC000091792318	398546036	/nfs/dbraw/zinc/54/60/36/398546036.db2.gz	WCIZQEQXTDGFQC-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
Cc1ccc([O-])c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1	ZINC000091792318	398546040	/nfs/dbraw/zinc/54/60/40/398546040.db2.gz	WCIZQEQXTDGFQC-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(OCCCO)CC3)cc2)CC1	ZINC000597013467	398546597	/nfs/dbraw/zinc/54/65/97/398546597.db2.gz	IDXUFDTYIUWTIH-UHFFFAOYSA-N	0	3	314.429	2.605	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](Cn4ccnn4)C3)cc2)CC1	ZINC000597030150	398551512	/nfs/dbraw/zinc/55/15/12/398551512.db2.gz	PUSSENZLJYDSBE-QGZVFWFLSA-N	0	3	321.428	2.745	20	30		DFEDHN
N#CCC1CCN(Cc2ccc(O[C@H]3CCOC3)cc2)CC1	ZINC000597081778	398562758	/nfs/dbraw/zinc/56/27/58/398562758.db2.gz	IFMOKQKDNSJFPE-SFHVURJKSA-N	0	3	300.402	2.980	20	30		DFEDHN
COCCCOCCN(C)Cc1ccc(C2(C#N)CC2)cc1	ZINC000597078146	398561282	/nfs/dbraw/zinc/56/12/82/398561282.db2.gz	CGCJLYHEJGXNIL-UHFFFAOYSA-N	0	3	302.418	2.727	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(C#N)cc1	ZINC000593183799	398566897	/nfs/dbraw/zinc/56/68/97/398566897.db2.gz	JYRKTCVKLZUSLT-CXAGYDPISA-N	0	3	307.397	2.985	20	30		DFEDHN
CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCC[C@@H]1C#N	ZINC000597083585	398563671	/nfs/dbraw/zinc/56/36/71/398563671.db2.gz	SRBPHHUWQMAVKB-WBTNSWJXSA-N	0	3	302.422	2.653	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)C3CCCCC3)CC2)C1	ZINC000332748643	398570521	/nfs/dbraw/zinc/57/05/21/398570521.db2.gz	WQLOWZILBIUSOQ-WMLDXEAASA-N	0	3	303.450	2.840	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCC[C@@H]1C#N	ZINC000597195648	398587902	/nfs/dbraw/zinc/58/79/02/398587902.db2.gz	LTWGVLFWEHSLSU-WBTNSWJXSA-N	0	3	302.422	2.560	20	30		DFEDHN
CCn1cc([C@@H]2OCC[C@H]2CN[C@@H]2CCCC[C@H]2C#N)cn1	ZINC000597197769	398588646	/nfs/dbraw/zinc/58/86/46/398588646.db2.gz	YVRFOWQLNCQIIM-XJNFMUPTSA-N	0	3	302.422	2.653	20	30		DFEDHN
CN(C)c1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000590005468	398589614	/nfs/dbraw/zinc/58/96/14/398589614.db2.gz	DTABAUNFBQNROO-SFHVURJKSA-N	0	3	322.412	2.673	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(c3n[nH]c(C)n3)CC2)cc1	ZINC000092736835	398598034	/nfs/dbraw/zinc/59/80/34/398598034.db2.gz	VIZACJLKCJCGFQ-UHFFFAOYSA-N	0	3	310.401	2.505	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccc(F)cc1	ZINC000092792891	398600788	/nfs/dbraw/zinc/60/07/88/398600788.db2.gz	WUUWIUNABYANQT-INIZCTEOSA-N	0	3	303.381	2.725	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)c(F)c1	ZINC000597239042	398603053	/nfs/dbraw/zinc/60/30/53/398603053.db2.gz	IOLBPIQFPSHVHG-RDJZCZTQSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590294630	398611539	/nfs/dbraw/zinc/61/15/39/398611539.db2.gz	JUYOBVKPLFUJSN-WBVHZDCISA-N	0	3	311.429	2.850	20	30		DFEDHN
C[C@H](O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000092970441	398610383	/nfs/dbraw/zinc/61/03/83/398610383.db2.gz	IWBYAJYUCJNPFF-HNNXBMFYSA-N	0	3	301.434	2.629	20	30		DFEDHN
CCN(C(=O)CC1(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000590326721	398614439	/nfs/dbraw/zinc/61/44/39/398614439.db2.gz	GWMJLAMSSDAETP-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3)CC2)cc1	ZINC000141159589	186029219	/nfs/dbraw/zinc/02/92/19/186029219.db2.gz	GTWIFWYVJYRPOX-IBGZPJMESA-N	0	3	322.408	2.575	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)NCC1(C#N)CCCC1	ZINC000593432757	398626895	/nfs/dbraw/zinc/62/68/95/398626895.db2.gz	VZCHHSGFXKVAAT-UHFFFAOYSA-N	0	3	320.481	2.978	20	30		DFEDHN
COc1cc2ccccc2cc1CNC1CCN(CC#N)CC1	ZINC000590645596	398644639	/nfs/dbraw/zinc/64/46/39/398644639.db2.gz	JSVQEANZDWOGSK-UHFFFAOYSA-N	0	3	309.413	2.926	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)n2c1	ZINC000590656893	398646447	/nfs/dbraw/zinc/64/64/47/398646447.db2.gz	HJRKPFYCJVGGGD-KURKYZTESA-N	0	3	324.428	2.721	20	30		DFEDHN
N#Cc1cc(F)c(NCC2(N3CCCC3)CCOCC2)c(F)c1	ZINC000264252984	186328009	/nfs/dbraw/zinc/32/80/09/186328009.db2.gz	LAZJZUQQXUXOJA-UHFFFAOYSA-N	0	3	321.371	2.893	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)CC#N	ZINC000597518681	398654892	/nfs/dbraw/zinc/65/48/92/398654892.db2.gz	BKOFTFJXCJJALF-RDJZCZTQSA-N	0	3	301.434	2.809	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1	ZINC000171755544	197979662	/nfs/dbraw/zinc/97/96/62/197979662.db2.gz	IKYRYSQDUGYGPR-HUUCEWRRSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(c2ccc(C#N)nn2)CC1	ZINC000590730302	398660533	/nfs/dbraw/zinc/66/05/33/398660533.db2.gz	NTQPHHONQWVKNZ-UHFFFAOYSA-N	0	3	301.438	2.685	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2cc(F)c(C#N)c(F)c2)C1	ZINC000597574081	398662712	/nfs/dbraw/zinc/66/27/12/398662712.db2.gz	MZKGAZDDOIQNDJ-UHFFFAOYSA-N	0	3	321.371	2.688	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](SC)c2ccccc2)CC1	ZINC000172542769	198112288	/nfs/dbraw/zinc/11/22/88/198112288.db2.gz	UAZQZHLQPWNKBC-MRXNPFEDSA-N	0	3	304.459	2.857	20	30		DFEDHN
CC[C@H](NC[C@H]1CNc2c(C#N)cnn2C1)c1ccccc1F	ZINC000593665296	398667650	/nfs/dbraw/zinc/66/76/50/398667650.db2.gz	ACLZLFIQQMIWAP-LRDDRELGSA-N	0	3	313.380	2.676	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)c1cc2ccccc2n1CC#N	ZINC000597606285	398667681	/nfs/dbraw/zinc/66/76/81/398667681.db2.gz	VWPCFLHDYKHSLM-MRXNPFEDSA-N	0	3	324.428	2.721	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000597606316	398668435	/nfs/dbraw/zinc/66/84/35/398668435.db2.gz	WNCVOPPVMKHODF-FGTMMUONSA-N	0	3	311.429	2.604	20	30		DFEDHN
CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(Cl)cc1	ZINC000593668822	398668567	/nfs/dbraw/zinc/66/85/67/398668567.db2.gz	GWXZLGSCIXCLMQ-GWCFXTLKSA-N	0	3	308.765	2.610	20	30		DFEDHN
Cn1c(=O)ccc2c1CCC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21	ZINC000593724987	398677943	/nfs/dbraw/zinc/67/79/43/398677943.db2.gz	DGNWSIUUCMQFLP-ZWKOTPCHSA-N	0	3	319.408	2.911	20	30		DFEDHN
CCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593753722	398682331	/nfs/dbraw/zinc/68/23/31/398682331.db2.gz	GBWPBGDFDFTHKW-INIZCTEOSA-N	0	3	300.402	2.786	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000398180195	398682375	/nfs/dbraw/zinc/68/23/75/398682375.db2.gz	NWYLLUUHXORVAY-DLBZAZTESA-N	0	3	301.434	2.809	20	30		DFEDHN
CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCOC1	ZINC000593816275	398692711	/nfs/dbraw/zinc/69/27/11/398692711.db2.gz	VYCJVPCGZCLEIG-DLBZAZTESA-N	0	3	300.402	2.786	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2cc3ccccc3n2CC#N)C1	ZINC000590889430	398696780	/nfs/dbraw/zinc/69/67/80/398696780.db2.gz	VVEUNCBUSRTYKT-MRXNPFEDSA-N	0	3	324.428	2.720	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000593851216	398696914	/nfs/dbraw/zinc/69/69/14/398696914.db2.gz	RLENULFAMKCKJV-SCLBCKFNSA-N	0	3	316.401	2.562	20	30		DFEDHN
C[C@@H](NCc1ccnc(OCCN(C)C)c1)c1cccc(C#N)c1	ZINC000182091083	199385903	/nfs/dbraw/zinc/38/59/03/199385903.db2.gz	LNMRFEPNILHBGW-OAHLLOKOSA-N	0	3	324.428	2.744	20	30		DFEDHN
CCc1nc(CCNCc2ccc(OC)c(C#N)c2)cs1	ZINC000174336341	198321085	/nfs/dbraw/zinc/32/10/85/198321085.db2.gz	HSMHGQMGBQHHNI-UHFFFAOYSA-N	0	3	301.415	2.918	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)CCOc2ccccc2)CC1	ZINC000073080328	191277542	/nfs/dbraw/zinc/27/75/42/191277542.db2.gz	AYQUVQORNQYVIQ-INIZCTEOSA-N	0	3	316.445	2.858	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CC(C)C	ZINC000126134617	282900935	/nfs/dbraw/zinc/90/09/35/282900935.db2.gz	CFJXGSFVJCFFJX-UHFFFAOYSA-N	0	3	302.422	2.918	20	30		DFEDHN
CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCCC#N	ZINC000593972400	398711768	/nfs/dbraw/zinc/71/17/68/398711768.db2.gz	BWCQIUBGFMMRID-UHFFFAOYSA-N	0	3	305.397	2.800	20	30		DFEDHN
COCC1(NC(=O)C(C#N)CCc2ccccc2)CCCC1	ZINC000597886838	398713003	/nfs/dbraw/zinc/71/30/03/398713003.db2.gz	VCQKWFXKKVTFEZ-INIZCTEOSA-N	0	3	300.402	2.834	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1	ZINC000593990784	398715334	/nfs/dbraw/zinc/71/53/34/398715334.db2.gz	RDEBIMLJJWPVKI-RKVPGOIHSA-N	0	3	313.445	2.582	20	30		DFEDHN
CN1CCC[C@H](N2CCN(CCC3(C#N)CCCCC3)CC2)C1	ZINC000591019582	398715415	/nfs/dbraw/zinc/71/54/15/398715415.db2.gz	SMMBZECOIGJKCU-SFHVURJKSA-N	0	3	318.509	2.562	20	30		DFEDHN
COCC1(N(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000591021355	398716300	/nfs/dbraw/zinc/71/63/00/398716300.db2.gz	ATYVFQCEOVYRJV-UHFFFAOYSA-N	0	3	321.808	2.651	20	30		DFEDHN
CC(C#N)C(=O)N1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1	ZINC000597899852	398716087	/nfs/dbraw/zinc/71/60/87/398716087.db2.gz	QZLKNPQIFRCAEV-DOMZBBRYSA-N	0	3	314.385	2.614	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1	ZINC000597912700	398719055	/nfs/dbraw/zinc/71/90/55/398719055.db2.gz	WAQAQSRQVULRFP-QZTJIDSGSA-N	0	3	311.429	2.803	20	30		DFEDHN
C#CCCCN1CCC(c2nc(C(=O)OCC)cs2)CC1	ZINC000277061250	213270584	/nfs/dbraw/zinc/27/05/84/213270584.db2.gz	DDJDLRWCRKICNE-UHFFFAOYSA-N	0	3	306.431	2.913	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1	ZINC000597912702	398719210	/nfs/dbraw/zinc/71/92/10/398719210.db2.gz	WAQAQSRQVULRFP-ROUUACIJSA-N	0	3	311.429	2.803	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000597922645	398721082	/nfs/dbraw/zinc/72/10/82/398721082.db2.gz	JWCAEDPMCUUYKD-IXDOHACOSA-N	0	3	311.429	2.651	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000597920902	398721305	/nfs/dbraw/zinc/72/13/05/398721305.db2.gz	CHNBDHIHFMEACG-SJORKVTESA-N	0	3	313.445	2.748	20	30		DFEDHN
COCCN(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1	ZINC000277008271	213235437	/nfs/dbraw/zinc/23/54/37/213235437.db2.gz	HVODDSNQSGOOHM-OAHLLOKOSA-N	0	3	324.428	2.887	20	30		DFEDHN
CCOC(=O)CCN(Cc1cc(C#N)ccc1OC)C(C)C	ZINC000594050096	398732074	/nfs/dbraw/zinc/73/20/74/398732074.db2.gz	ACJXZWIAICILAF-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CC1CCCC1)C1CC1	ZINC000594052050	398733141	/nfs/dbraw/zinc/73/31/41/398733141.db2.gz	CYGAZWZPINZCLV-SJLPKXTDSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCC1(CC)[C@H](NCc2cnc3ccc(C#N)cn23)C[C@@H]1OC	ZINC000131406236	283083573	/nfs/dbraw/zinc/08/35/73/283083573.db2.gz	VIELJRSLBHCTPP-CVEARBPZSA-N	0	3	312.417	2.889	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000598016293	398737757	/nfs/dbraw/zinc/73/77/57/398737757.db2.gz	KNMVCLFGRNOAKY-JSGCOSHPSA-N	0	3	302.374	2.735	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc2ccccc2c1	ZINC000591241588	398741587	/nfs/dbraw/zinc/74/15/87/398741587.db2.gz	LDIAGPZMDQIDIE-DNVCBOLYSA-N	0	3	311.429	2.697	20	30		DFEDHN
N#CCc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594115368	398747135	/nfs/dbraw/zinc/74/71/35/398747135.db2.gz	FLMOXKSYXVJPNI-IRXDYDNUSA-N	0	3	312.417	2.891	20	30		DFEDHN
C[C@H](NC(=O)NCc1ccc2c(c1)CNC2)c1ccc(C#N)cc1	ZINC000591342179	398750959	/nfs/dbraw/zinc/75/09/59/398750959.db2.gz	GIAQFUQFLISCPX-ZDUSSCGKSA-N	0	3	320.396	2.722	20	30		DFEDHN
C[C@H](C#N)N(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1	ZINC000598130749	398759591	/nfs/dbraw/zinc/75/95/91/398759591.db2.gz	UZNDQHPCZVGMTD-OAHLLOKOSA-N	0	3	311.429	2.802	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc2)CC1	ZINC000594197463	398763306	/nfs/dbraw/zinc/76/33/06/398763306.db2.gz	OIBLCVOMVHPAHB-ROUUACIJSA-N	0	3	323.440	2.988	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCC(C)CC1	ZINC000594234663	398770772	/nfs/dbraw/zinc/77/07/72/398770772.db2.gz	WCJIOECBPAJHEM-INIZCTEOSA-N	0	3	313.445	2.585	20	30		DFEDHN
CC(C)(C)c1nc2cc(NC(=O)[C@@]3(C#N)CCNC3)ccc2o1	ZINC000591596123	398774483	/nfs/dbraw/zinc/77/44/83/398774483.db2.gz	LEEGLTHTKJIQFL-QGZVFWFLSA-N	0	3	312.373	2.567	20	30		DFEDHN
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](N)CCCC#N	ZINC000591592820	398774526	/nfs/dbraw/zinc/77/45/26/398774526.db2.gz	UKBVFUVKEOBTEW-CYBMUJFWSA-N	0	3	313.323	2.685	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594243243	398773038	/nfs/dbraw/zinc/77/30/38/398773038.db2.gz	METDJZVQRLPPFU-CABCVRRESA-N	0	3	306.454	2.632	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](CCF)C2)cc1	ZINC000598229728	398775662	/nfs/dbraw/zinc/77/56/62/398775662.db2.gz	SOEZRBCSEHSBBU-IAGOWNOFSA-N	0	3	313.376	2.839	20	30		DFEDHN
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@]2(C#N)CCNC2)cc1	ZINC000591607116	398776057	/nfs/dbraw/zinc/77/60/57/398776057.db2.gz	CHQYXOFOGRKWEX-CXAGYDPISA-N	0	3	317.458	2.868	20	30		DFEDHN
C=CCN(CCCc1cnn(C)c1)Cc1cccc([N+](=O)[O-])c1	ZINC000119636155	398777057	/nfs/dbraw/zinc/77/70/57/398777057.db2.gz	XXTQTVLGTQQHMC-UHFFFAOYSA-N	0	3	314.389	2.949	20	30		DFEDHN
C[C@H](NC(=O)[C@@]1(C#N)CCNC1)c1cccc(Cl)c1Cl	ZINC000591616859	398777154	/nfs/dbraw/zinc/77/71/54/398777154.db2.gz	VSSAVLHEKCEDIP-LKFCYVNXSA-N	0	3	312.200	2.674	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(OC3CCCCC3)cc2)CCNC1	ZINC000591616839	398777170	/nfs/dbraw/zinc/77/71/70/398777170.db2.gz	VFEUQFZIZNYGRR-GOSISDBHSA-N	0	3	313.401	2.840	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCNC1	ZINC000591619722	398777244	/nfs/dbraw/zinc/77/72/44/398777244.db2.gz	GAUROROHMIOQGP-CQSZACIVSA-N	0	3	311.307	2.623	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)c(F)c1	ZINC000591646698	398778447	/nfs/dbraw/zinc/77/84/47/398778447.db2.gz	MYBKYHJKVPLYDS-WMLDXEAASA-N	0	3	314.364	2.678	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000598259679	398779421	/nfs/dbraw/zinc/77/94/21/398779421.db2.gz	DUBOANGBBAJJQB-MAUKXSAKSA-N	0	3	303.450	2.697	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@H]1CCC(C)(C)c2ccccc21	ZINC000591728134	398782247	/nfs/dbraw/zinc/78/22/47/398782247.db2.gz	FJFIPDKQKFWXPN-YJBOKZPZSA-N	0	3	315.461	2.595	20	30		DFEDHN
C[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCCC[C@@H]1C	ZINC000048415796	398783598	/nfs/dbraw/zinc/78/35/98/398783598.db2.gz	OGXNYHOHCPSNFF-IRXDYDNUSA-N	0	3	313.445	2.600	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(NC(=O)CCCCC#N)CC1	ZINC000594326791	398783009	/nfs/dbraw/zinc/78/30/09/398783009.db2.gz	HLRJUVOHJAGGSF-HNNXBMFYSA-N	0	3	314.433	2.807	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@H]1CCc2cc(C#N)ccc21	ZINC000591763745	398785451	/nfs/dbraw/zinc/78/54/51/398785451.db2.gz	GUQSMYOUMCCZAL-MJGOQNOKSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#CCCCNC[C@@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000591759480	398784783	/nfs/dbraw/zinc/78/47/83/398784783.db2.gz	UARQRHJLWDCAFQ-SNVBAGLBSA-N	0	3	303.189	2.626	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC1(C)C	ZINC000594369222	398788530	/nfs/dbraw/zinc/78/85/30/398788530.db2.gz	FELULNHEDIKSIP-HNNXBMFYSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)C1CN(C3CCCCC3)C1)C2	ZINC000594400131	398792437	/nfs/dbraw/zinc/79/24/37/398792437.db2.gz	QNLWAAPCYNAWAQ-UHFFFAOYSA-N	0	3	309.413	2.665	20	30		DFEDHN
C=C(CNCc1ccc(N(C)CCOC)nc1)c1ccccc1	ZINC000276936902	213187089	/nfs/dbraw/zinc/18/70/89/213187089.db2.gz	FKPBTGJLKAZJBL-UHFFFAOYSA-N	0	3	311.429	2.967	20	30		DFEDHN
N#Cc1ccc(C2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC2)cc1	ZINC000594403779	398793707	/nfs/dbraw/zinc/79/37/07/398793707.db2.gz	OBIWMUOWPJQEJZ-GOSISDBHSA-N	0	3	323.440	2.928	20	30		DFEDHN
CCSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000598330093	398793782	/nfs/dbraw/zinc/79/37/82/398793782.db2.gz	WROULQPNNQGCMS-HNNXBMFYSA-N	0	3	313.426	2.642	20	30		DFEDHN
C#CCN(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000276913032	213170508	/nfs/dbraw/zinc/17/05/08/213170508.db2.gz	GALKKCZVXYFNGT-LJQANCHMSA-N	0	3	309.409	2.719	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(Br)cc1	ZINC000594424387	398797826	/nfs/dbraw/zinc/79/78/26/398797826.db2.gz	CMHJWABKGGHTPX-LBPRGKRZSA-N	0	3	310.195	2.799	20	30		DFEDHN
CCOc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594426422	398797832	/nfs/dbraw/zinc/79/78/32/398797832.db2.gz	CUPFAUJXIGONKF-BBRMVZONSA-N	0	3	303.406	2.674	20	30		DFEDHN
CC(C)N(Cc1cccc(F)c1)C(=O)[C@@H](N)CCCCC#N	ZINC000594427518	398798649	/nfs/dbraw/zinc/79/86/49/398798649.db2.gz	JGQLEWCWENZXIE-INIZCTEOSA-N	0	3	305.397	2.974	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000594424452	398798137	/nfs/dbraw/zinc/79/81/37/398798137.db2.gz	DTJNLLYVMYBCIF-SFHVURJKSA-N	0	3	313.445	2.879	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1cccc(F)c1	ZINC000594429322	398798450	/nfs/dbraw/zinc/79/84/50/398798450.db2.gz	STWUQAKWOCJTIX-IRXDYDNUSA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCSc2c(F)cccc21	ZINC000594429416	398798879	/nfs/dbraw/zinc/79/88/79/398798879.db2.gz	TXPXALZQQBAKQB-KBPBESRZSA-N	0	3	321.421	2.890	20	30		DFEDHN
CCC(CC)c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1	ZINC000594427585	398798928	/nfs/dbraw/zinc/79/89/28/398798928.db2.gz	VNGWKWSGKYMXGF-NSHDSACASA-N	0	3	309.439	2.791	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)NCCNC(=O)C2CC2)cc1	ZINC000178215211	198832717	/nfs/dbraw/zinc/83/27/17/198832717.db2.gz	FAGQVMROTQYZRY-ZDUSSCGKSA-N	0	3	322.836	2.995	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000594430346	398799709	/nfs/dbraw/zinc/79/97/09/398799709.db2.gz	ZUNGUAZFEIFBLT-TUAOUCFPSA-N	0	3	305.344	2.635	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2csnn2)cc1	ZINC000594430054	398799743	/nfs/dbraw/zinc/79/97/43/398799743.db2.gz	XZVZHTKTLHZFOG-ZDUSSCGKSA-N	0	3	315.402	2.555	20	30		DFEDHN
CC(C)COc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1	ZINC000594432029	398800297	/nfs/dbraw/zinc/80/02/97/398800297.db2.gz	VOHWXRDWJKGGHP-QGZVFWFLSA-N	0	3	317.433	2.749	20	30		DFEDHN
Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594432729	398800750	/nfs/dbraw/zinc/80/07/50/398800750.db2.gz	GAMFFJRRBXCOJR-WBVHZDCISA-N	0	3	301.434	2.762	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cccc(COCC2CC2)c1	ZINC000594431851	398800430	/nfs/dbraw/zinc/80/04/30/398800430.db2.gz	RDCFFUYFOWWOJH-KRWDZBQOSA-N	0	3	315.417	2.963	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000594435059	398801438	/nfs/dbraw/zinc/80/14/38/398801438.db2.gz	ZZCPPHKOXPVJKU-OAHLLOKOSA-N	0	3	305.397	2.631	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1	ZINC000050029408	398802201	/nfs/dbraw/zinc/80/22/01/398802201.db2.gz	UOMBGLRLORSXTO-UHFFFAOYSA-N	0	3	323.396	2.989	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1c(F)cccc1NC1CC1	ZINC000594437888	398802314	/nfs/dbraw/zinc/80/23/14/398802314.db2.gz	XQZNWBHOQMOLAK-CYBMUJFWSA-N	0	3	304.369	2.750	20	30		DFEDHN
Cc1ccccc1CC(C)(C)NC(=O)[C@H](N)CCCCC#N	ZINC000594434061	398801695	/nfs/dbraw/zinc/80/16/95/398801695.db2.gz	JXAUMXHNWOOMAG-MRXNPFEDSA-N	0	3	301.434	2.844	20	30		DFEDHN
C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594442298	398803156	/nfs/dbraw/zinc/80/31/56/398803156.db2.gz	CHGBRPXIXYOLRT-MLGOLLRUSA-N	0	3	303.381	2.683	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2cc(F)ccc21	ZINC000594441997	398803196	/nfs/dbraw/zinc/80/31/96/398803196.db2.gz	AZAMOXWNDDNJRI-HUUCEWRRSA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000594443521	398804210	/nfs/dbraw/zinc/80/42/10/398804210.db2.gz	QHBNGCBBMHXWKZ-KURKYZTESA-N	0	3	313.445	2.925	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc2O1	ZINC000594445061	398803829	/nfs/dbraw/zinc/80/38/29/398803829.db2.gz	OMHVWFCFZOXHCU-GJZGRUSLSA-N	0	3	315.417	2.816	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCC(F)(F)CC1	ZINC000594456002	398805885	/nfs/dbraw/zinc/80/58/85/398805885.db2.gz	HEGOMCDTILYJSF-YPMHNXCESA-N	0	3	301.381	2.728	20	30		DFEDHN
CC(C)N(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594469593	398807518	/nfs/dbraw/zinc/80/75/18/398807518.db2.gz	AOKJBKZGKOYONE-AWEZNQCLSA-N	0	3	302.422	2.881	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](C)c2c(C)noc2C)CC1	ZINC000179248249	199004959	/nfs/dbraw/zinc/00/49/59/199004959.db2.gz	HPJXRJVUOWLLAW-GFCCVEGCSA-N	0	3	305.422	2.552	20	30		DFEDHN
C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1	ZINC000179843194	199087597	/nfs/dbraw/zinc/08/75/97/199087597.db2.gz	UCWHTHPZEUFCSK-LBPRGKRZSA-N	0	3	312.373	2.513	20	30		DFEDHN
CCC(C#N)C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000598504621	398825283	/nfs/dbraw/zinc/82/52/83/398825283.db2.gz	IOVXLWNAJWJPRN-ACJLOTCBSA-N	0	3	316.401	2.909	20	30		DFEDHN
Cc1nnc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1	ZINC000598514163	398826342	/nfs/dbraw/zinc/82/63/42/398826342.db2.gz	JGJGIYJMHOZACY-CQSZACIVSA-N	0	3	314.414	2.578	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]2CC(=O)OC)cc(OC)c1O	ZINC000179890385	199092142	/nfs/dbraw/zinc/09/21/42/199092142.db2.gz	DJXZLXYWFVGNIC-OAHLLOKOSA-N	0	3	319.401	2.657	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N	ZINC000598584898	398835832	/nfs/dbraw/zinc/83/58/32/398835832.db2.gz	GPKYWTUKVINVDA-AWEZNQCLSA-N	0	3	310.825	2.951	20	30		DFEDHN
N#Cc1csc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000152510503	283327201	/nfs/dbraw/zinc/32/72/01/283327201.db2.gz	YGTHJDSEYLTVNH-HNNXBMFYSA-N	0	3	317.458	2.891	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](Oc2ccccc2)C1	ZINC000598591889	398838073	/nfs/dbraw/zinc/83/80/73/398838073.db2.gz	FAGVKNHELPPJAM-NVXWUHKLSA-N	0	3	302.418	2.831	20	30		DFEDHN
COCc1ccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)o1	ZINC000598604678	398839805	/nfs/dbraw/zinc/83/98/05/398839805.db2.gz	PGFPOVGKNCVQLO-DZGCQCFKSA-N	0	3	306.406	2.864	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H](O)CC(C)(C)C#N	ZINC000598603767	398839984	/nfs/dbraw/zinc/83/99/84/398839984.db2.gz	GKSUGUNXCAZOHN-GXTWGEPZSA-N	0	3	306.454	2.898	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)C(C)(C)CO	ZINC000598615133	398841220	/nfs/dbraw/zinc/84/12/20/398841220.db2.gz	USKYYCUSDUNRGN-JKSUJKDBSA-N	0	3	304.434	2.637	20	30		DFEDHN
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@@H](O)CC(C)(C)C#N	ZINC000598596468	398838670	/nfs/dbraw/zinc/83/86/70/398838670.db2.gz	RUXBNYJIBUCVOM-QOAZOABKSA-N	0	3	322.474	2.718	20	30		DFEDHN
COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598617462	398842177	/nfs/dbraw/zinc/84/21/77/398842177.db2.gz	RRUKXGNEXILATB-GJZGRUSLSA-N	0	3	310.825	2.918	20	30		DFEDHN
C[C@H](NC[C@H](O)CC(C)(C)C#N)[C@H]1OCCc2sccc21	ZINC000598618269	398842237	/nfs/dbraw/zinc/84/22/37/398842237.db2.gz	NSHDZVQLVXJYIT-YWPYICTPSA-N	0	3	308.447	2.641	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccc(Br)s1	ZINC000598699992	398857663	/nfs/dbraw/zinc/85/76/63/398857663.db2.gz	KFAVQAAVSKFCOC-SECBINFHSA-N	0	3	317.252	2.901	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@@H](C)NC[C@H](O)CC(C)(C)C#N	ZINC000598723506	398862337	/nfs/dbraw/zinc/86/23/37/398862337.db2.gz	IVVOWLRERKNNST-IOASZLSFSA-N	0	3	308.397	2.792	20	30		DFEDHN
COC[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000598784682	398873394	/nfs/dbraw/zinc/87/33/94/398873394.db2.gz	WUCLSSOJCRXPKB-JKSUJKDBSA-N	0	3	317.433	2.563	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)cc(OC)c1O	ZINC000136849837	398875021	/nfs/dbraw/zinc/87/50/21/398875021.db2.gz	RVIXQIPOVJDQCC-CZUORRHYSA-N	0	3	305.418	2.722	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CNCC1(C#N)CCCCC1	ZINC000594980812	398886118	/nfs/dbraw/zinc/88/61/18/398886118.db2.gz	BLZZCUJEZAQARK-DOTOQJQBSA-N	0	3	316.449	2.951	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CNCC2(C#N)CCCCC2)cn1	ZINC000594981185	398886467	/nfs/dbraw/zinc/88/64/67/398886467.db2.gz	JQVSWEJEDMARGY-DOTOQJQBSA-N	0	3	316.449	2.951	20	30		DFEDHN
Cc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)s1	ZINC000077211327	398888328	/nfs/dbraw/zinc/88/83/28/398888328.db2.gz	CWOJQIPOTZGJDQ-HNNXBMFYSA-N	0	3	316.426	2.800	20	30		DFEDHN
COC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1	ZINC000595069105	398901691	/nfs/dbraw/zinc/90/16/91/398901691.db2.gz	MASSARMNTRFJSN-SJCJKPOMSA-N	0	3	306.381	2.790	20	30		DFEDHN
COc1cc(CNC[C@@H]2Cc3ccccc3CO2)ccc1C#N	ZINC000598989489	398904240	/nfs/dbraw/zinc/90/42/40/398904240.db2.gz	IWTWMUTYPINLLC-SFHVURJKSA-N	0	3	308.381	2.798	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1	ZINC000077458201	398904771	/nfs/dbraw/zinc/90/47/71/398904771.db2.gz	RUFQNEJUXIPHOS-HZPDHXFCSA-N	0	3	323.458	2.697	20	30		DFEDHN
N#Cc1cccc(CNCC2(OCCO)CCC(F)(F)CC2)c1	ZINC000598994162	398904940	/nfs/dbraw/zinc/90/49/40/398904940.db2.gz	WODMMMIRPYGFRU-UHFFFAOYSA-N	0	3	324.371	2.605	20	30		DFEDHN
CC(C)(NC(=O)C[C@@H](N)Cc1ccccc1)c1cccc(C#N)c1	ZINC000595255912	398913425	/nfs/dbraw/zinc/91/34/25/398913425.db2.gz	JZBPJOKIVQVLAW-SFHVURJKSA-N	0	3	321.424	2.870	20	30		DFEDHN
CC(C)n1c2ccccc2nc1NC(=O)[C@@H](N)CCCCC#N	ZINC000595257702	398913514	/nfs/dbraw/zinc/91/35/14/398913514.db2.gz	OKCOWPCPXULQCL-ZDUSSCGKSA-N	0	3	313.405	2.967	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1F	ZINC000595256835	398913518	/nfs/dbraw/zinc/91/35/18/398913518.db2.gz	UVBBBCMUKGPDHC-HUUCEWRRSA-N	0	3	319.380	2.519	20	30		DFEDHN
Cc1cc(F)ccc1C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000595255592	398913669	/nfs/dbraw/zinc/91/36/69/398913669.db2.gz	GCLDWHXLGHVBGG-CJNGLKHVSA-N	0	3	305.397	2.593	20	30		DFEDHN
N#CCc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1	ZINC000595251707	398912656	/nfs/dbraw/zinc/91/26/56/398912656.db2.gz	WGDZUQHMEUDLIQ-SFHVURJKSA-N	0	3	305.381	2.603	20	30		DFEDHN
CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000595251996	398913064	/nfs/dbraw/zinc/91/30/64/398913064.db2.gz	ZCNLMZHHLIVURP-CVEARBPZSA-N	0	3	305.397	2.674	20	30		DFEDHN
N#Cc1ccc(CCN2CCN(c3cccc(O)c3)CC2)cc1	ZINC000595290766	398917083	/nfs/dbraw/zinc/91/70/83/398917083.db2.gz	MQJMVPSCIPUWAS-UHFFFAOYSA-N	0	3	307.397	2.629	20	30		DFEDHN
C[C@H]1CN(CCN(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1	ZINC000595296844	398917687	/nfs/dbraw/zinc/91/76/87/398917687.db2.gz	MIGDCNZOGLEDKC-HOTGVXAUSA-N	0	3	313.445	2.632	20	30		DFEDHN
N#Cc1cc(NCCN2CCCOCC2)ccc1C(F)(F)F	ZINC000188489743	200255069	/nfs/dbraw/zinc/25/50/69/200255069.db2.gz	SFOUCYDBGPBGNI-UHFFFAOYSA-N	0	3	313.323	2.711	20	30		DFEDHN
CN(CCOCC(F)(F)C(F)F)Cc1ccc(C#N)cc1	ZINC000188619367	200276155	/nfs/dbraw/zinc/27/61/55/200276155.db2.gz	SLLXQTWJPBHKEP-UHFFFAOYSA-N	0	3	304.287	2.907	20	30		DFEDHN
N#Cc1ccc(CCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1	ZINC000595345476	398925106	/nfs/dbraw/zinc/92/51/06/398925106.db2.gz	PZAIFFVSTGVUPV-OAHLLOKOSA-N	0	3	312.335	2.736	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000077791022	398925167	/nfs/dbraw/zinc/92/51/67/398925167.db2.gz	AVYQOXMCBJYUTH-OAHLLOKOSA-N	0	3	307.825	2.875	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1CN1CCCC1	ZINC000189079272	200345897	/nfs/dbraw/zinc/34/58/97/200345897.db2.gz	ZCKDHOFENFNPKF-HNNXBMFYSA-N	0	3	300.362	2.531	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC[C@@H](CC#N)C1)N1CCCCC1	ZINC000595428300	398935978	/nfs/dbraw/zinc/93/59/78/398935978.db2.gz	XFFWKHKVWAAUMM-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599251811	398943327	/nfs/dbraw/zinc/94/33/27/398943327.db2.gz	YRUYNUHWADUJOJ-RHSMWYFYSA-N	0	3	320.408	2.890	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CC1	ZINC000599251804	398943439	/nfs/dbraw/zinc/94/34/39/398943439.db2.gz	YNUICQIGLGZMHX-AWEZNQCLSA-N	0	3	308.809	2.705	20	30		DFEDHN
Cc1ccc(CN(C[C@@H](O)CC2(C#N)CCOCC2)C2CC2)o1	ZINC000599265111	398945134	/nfs/dbraw/zinc/94/51/34/398945134.db2.gz	RHZHVZZHUDXHES-INIZCTEOSA-N	0	3	318.417	2.624	20	30		DFEDHN
Cc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1C#N	ZINC000599287673	398948165	/nfs/dbraw/zinc/94/81/65/398948165.db2.gz	NNFQAPGLVBYERN-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
C[C@H]1c2ccccc2CCN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599294167	398948839	/nfs/dbraw/zinc/94/88/39/398948839.db2.gz	BHBGFEYMHRZVNR-DOTOQJQBSA-N	0	3	314.429	2.677	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000595492864	398949722	/nfs/dbraw/zinc/94/97/22/398949722.db2.gz	OLHAWKOSJKILAN-GJZGRUSLSA-N	0	3	312.335	2.593	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCS[C@H](c3ccccc3)C2)CC1	ZINC000599301351	398950826	/nfs/dbraw/zinc/95/08/26/398950826.db2.gz	DCBLTNWELLDMAF-CVEARBPZSA-N	0	3	302.443	2.831	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599300482	398950903	/nfs/dbraw/zinc/95/09/03/398950903.db2.gz	ZVMGTUIDEXBCNM-QAPCUYQASA-N	0	3	314.429	2.505	20	30		DFEDHN
CO[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000595500248	398951104	/nfs/dbraw/zinc/95/11/04/398951104.db2.gz	CTPUNNGCUYXKNE-DLBZAZTESA-N	0	3	315.417	2.612	20	30		DFEDHN
Cc1ccc(CN2CCCC[C@@H]2CN2CCOCC2)cc1C#N	ZINC000599302485	398951607	/nfs/dbraw/zinc/95/16/07/398951607.db2.gz	DESNDCALUHDWNF-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1	ZINC000599339242	398956391	/nfs/dbraw/zinc/95/63/91/398956391.db2.gz	KSNLQHVVYFGSLE-MRXNPFEDSA-N	0	3	315.373	2.614	20	30		DFEDHN
C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)c(F)c1	ZINC000271918988	209322852	/nfs/dbraw/zinc/32/28/52/209322852.db2.gz	HBGCOKCCENNFAT-CYBMUJFWSA-N	0	3	303.381	2.751	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1[N+](=O)[O-]	ZINC000599354161	398959505	/nfs/dbraw/zinc/95/95/05/398959505.db2.gz	NCICJTHRQWSQPK-OCCSQVGLSA-N	0	3	303.362	2.609	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1F	ZINC000599353261	398958546	/nfs/dbraw/zinc/95/85/46/398958546.db2.gz	HEXJJJQZKDBGRS-OLZOCXBDSA-N	0	3	324.371	2.687	20	30		DFEDHN
Cc1ccc(CN2CCSC3(CCOCC3)C2)cc1C#N	ZINC000599373352	398965696	/nfs/dbraw/zinc/96/56/96/398965696.db2.gz	VVNHWZJIUCHUQL-UHFFFAOYSA-N	0	3	302.443	2.965	20	30		DFEDHN
Cc1ccncc1CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292754903	223230553	/nfs/dbraw/zinc/23/05/53/223230553.db2.gz	IXKMMNRWFTXEOI-GOSISDBHSA-N	0	3	322.412	2.743	20	30		DFEDHN
Cc1ccncc1CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292754905	223230971	/nfs/dbraw/zinc/23/09/71/223230971.db2.gz	IXKMMNRWFTXEOI-SFHVURJKSA-N	0	3	322.412	2.743	20	30		DFEDHN
CCO[C@@H]1C[C@@](CO)(NCc2ccc(C)c(C#N)c2)C1(C)C	ZINC000599380793	398968560	/nfs/dbraw/zinc/96/85/60/398968560.db2.gz	YRWVFWCWBXLJPT-AEFFLSMTSA-N	0	3	302.418	2.522	20	30		DFEDHN
CCO[C@H]1C[C@](CO)(NCc2ccc(C)c(C#N)c2)C1(C)C	ZINC000599380794	398968167	/nfs/dbraw/zinc/96/81/67/398968167.db2.gz	YRWVFWCWBXLJPT-FUHWJXTLSA-N	0	3	302.418	2.522	20	30		DFEDHN
CN(Cc1ccccn1)[C@@H]1CCCN(c2cnccc2C#N)CC1	ZINC000281433469	216296781	/nfs/dbraw/zinc/29/67/81/216296781.db2.gz	JNRZODMIKZFLQE-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
Cc1cc(F)ccc1CN(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599384861	398969722	/nfs/dbraw/zinc/96/97/22/398969722.db2.gz	UVBUSZWPUXEYHI-QGZVFWFLSA-N	0	3	320.408	2.637	20	30		DFEDHN
Cc1cc(F)ccc1CN(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599384860	398970040	/nfs/dbraw/zinc/97/00/40/398970040.db2.gz	UVBUSZWPUXEYHI-KRWDZBQOSA-N	0	3	320.408	2.637	20	30		DFEDHN
CO[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCOC1	ZINC000595561357	398971834	/nfs/dbraw/zinc/97/18/34/398971834.db2.gz	IFDMZOHSLVOJLW-WBVHZDCISA-N	0	3	300.402	2.579	20	30		DFEDHN
COc1cc(CNC[C@@](C)(O)c2cccs2)ccc1C#N	ZINC000281471877	216324627	/nfs/dbraw/zinc/32/46/27/216324627.db2.gz	BMSHURYMKBVFRY-MRXNPFEDSA-N	0	3	302.399	2.626	20	30		DFEDHN
CC(C)N(CCCCS(C)(=O)=O)Cc1ccc(C#N)cc1	ZINC000161753305	398978734	/nfs/dbraw/zinc/97/87/34/398978734.db2.gz	XQLAYDUVZUXBNW-UHFFFAOYSA-N	0	3	308.447	2.593	20	30		DFEDHN
Cc1ccc(C(=O)NCCN[C@H](C)c2cccc(C#N)c2)cc1	ZINC000193910900	201143413	/nfs/dbraw/zinc/14/34/13/201143413.db2.gz	JWZNRCMKMRLNEV-OAHLLOKOSA-N	0	3	307.397	2.947	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(C(F)(F)F)nc2)nc(C)n1	ZINC000078736808	398984101	/nfs/dbraw/zinc/98/41/01/398984101.db2.gz	AURGTOYWSRAGFY-LLVKDONJSA-N	0	3	320.274	2.997	20	30		DFEDHN
N#Cc1ccc(C2(NCCOC3CCOCC3)CCC2)cc1	ZINC000599454410	398986819	/nfs/dbraw/zinc/98/68/19/398986819.db2.gz	MWKYTRUSLPXLIG-UHFFFAOYSA-N	0	3	300.402	2.723	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN[C@@H]1CCO[C@H]1c1cc[nH]n1	ZINC000599489297	398993840	/nfs/dbraw/zinc/99/38/40/398993840.db2.gz	VFIRRQWBNDPGMW-NVXWUHKLSA-N	0	3	310.401	2.831	20	30		DFEDHN
C=CCCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1	ZINC000605150938	399004255	/nfs/dbraw/zinc/00/42/55/399004255.db2.gz	HVGMWWCQMMERCP-KRWDZBQOSA-N	0	3	308.853	2.957	20	30		DFEDHN
CN(C)CCNc1c(C#N)cnc2c(Br)cccc21	ZINC000281650668	216449001	/nfs/dbraw/zinc/44/90/01/216449001.db2.gz	NMWCBNCPWQIRLJ-UHFFFAOYSA-N	0	3	319.206	2.842	20	30		DFEDHN
C[C@@H]1C[C@@H](CN2CCN(c3ccsc3C#N)CC2)CCO1	ZINC000595629830	399010076	/nfs/dbraw/zinc/01/00/76/399010076.db2.gz	MUEKGTBCIPYISO-KGLIPLIRSA-N	0	3	305.447	2.557	20	30		DFEDHN
CC(C)[C@@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000599549118	399010560	/nfs/dbraw/zinc/01/05/60/399010560.db2.gz	NQDDQUHKCGYEQJ-IBGZPJMESA-N	0	3	315.461	2.759	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1	ZINC000057137942	399016468	/nfs/dbraw/zinc/01/64/68/399016468.db2.gz	VXGFTEMMQBUARQ-OAHLLOKOSA-N	0	3	314.429	2.526	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1	ZINC000057138122	399016507	/nfs/dbraw/zinc/01/65/07/399016507.db2.gz	VVSSINWSTABYPH-LJQANCHMSA-N	0	3	322.408	2.830	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCC2)CC1	ZINC000595642726	399016550	/nfs/dbraw/zinc/01/65/50/399016550.db2.gz	ROKWENYPIDDUHO-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@H]1CN(CCCSCC#N)CC[C@@H]1C(=O)OC(C)(C)C	ZINC000599588494	399022264	/nfs/dbraw/zinc/02/22/64/399022264.db2.gz	PJYCLMBDGWXWFI-KBPBESRZSA-N	0	3	312.479	2.933	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1	ZINC000595672796	399029284	/nfs/dbraw/zinc/02/92/84/399029284.db2.gz	BUWUNQYEXAWTRI-KRWDZBQOSA-N	0	3	315.417	2.959	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC2(CCCC2)[C@H]1c1ccco1	ZINC000595672798	399029294	/nfs/dbraw/zinc/02/92/94/399029294.db2.gz	BUWUNQYEXAWTRI-QGZVFWFLSA-N	0	3	315.417	2.959	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000091232109	193024669	/nfs/dbraw/zinc/02/46/69/193024669.db2.gz	RJAXHLZLHAEHCA-UHFFFAOYSA-N	0	3	314.433	2.682	20	30		DFEDHN
Cc1cc(C(C#N)=C([O-])c2cnc3n2CCCCC3)nc(C)n1	ZINC000621706403	399034638	/nfs/dbraw/zinc/03/46/38/399034638.db2.gz	STFFTHRVOBBPSR-CYBMUJFWSA-N	0	3	309.373	2.506	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cnc3n2CCCCC3)nc(C)n1	ZINC000621706403	399034646	/nfs/dbraw/zinc/03/46/46/399034646.db2.gz	STFFTHRVOBBPSR-CYBMUJFWSA-N	0	3	309.373	2.506	20	30		DFEDHN
CC(C)(C)OCCNC1(c2ccc(C#N)cc2)CCOCC1	ZINC000599633722	399036315	/nfs/dbraw/zinc/03/63/15/399036315.db2.gz	IEQISLJRUXRUDX-UHFFFAOYSA-N	0	3	302.418	2.969	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1	ZINC000091832901	193114188	/nfs/dbraw/zinc/11/41/88/193114188.db2.gz	GRESQJMJORJHON-INIZCTEOSA-N	0	3	311.385	2.770	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000595693731	399038212	/nfs/dbraw/zinc/03/82/12/399038212.db2.gz	JERCYQLXOYEJAZ-NJAFHUGGSA-N	0	3	311.429	2.821	20	30		DFEDHN
N#C[C@H]1CCCC[C@H]1NCCCOc1ccc2c(c1)OCO2	ZINC000595693103	399038258	/nfs/dbraw/zinc/03/82/58/399038258.db2.gz	RVZLPRIZGJFNLT-UKRRQHHQSA-N	0	3	302.374	2.856	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC2(CC2)CC1	ZINC000599673484	399054371	/nfs/dbraw/zinc/05/43/71/399054371.db2.gz	QLLGQUCHBBGZDN-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(Cc2cccc(C#N)c2)CC1	ZINC000599669445	399053303	/nfs/dbraw/zinc/05/33/03/399053303.db2.gz	LJLOQTKWJKXAGQ-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
C=CCC1(NC(=O)C[C@H](c2ccccc2)N(C)C)CCOCC1	ZINC000618250707	399051624	/nfs/dbraw/zinc/05/16/24/399051624.db2.gz	LJBUSDGKZLFVAS-QGZVFWFLSA-N	0	3	316.445	2.921	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000595730034	399058967	/nfs/dbraw/zinc/05/89/67/399058967.db2.gz	ZIOUVMKGVKALEU-WBVHZDCISA-N	0	3	311.429	2.588	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@H]1CCN(C(C)=O)c2ccccc21	ZINC000621762705	399069991	/nfs/dbraw/zinc/06/99/91/399069991.db2.gz	JDBNKCBPGKMIRH-JZXOWHBKSA-N	0	3	300.402	2.808	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000275203421	212194511	/nfs/dbraw/zinc/19/45/11/212194511.db2.gz	IJHVNYOUNPENCG-ZIAGYGMSSA-N	0	3	321.446	2.722	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COCc2ccccc2C)CC1	ZINC000621858778	399095725	/nfs/dbraw/zinc/09/57/25/399095725.db2.gz	DECXBBQVVQHYSO-UHFFFAOYSA-N	0	3	316.445	2.668	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(F)ccc(F)c2Cl)CC1	ZINC000621858820	399096008	/nfs/dbraw/zinc/09/60/08/399096008.db2.gz	GHJUYDUWXLVEIE-UHFFFAOYSA-N	0	3	314.763	2.998	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000338122344	284087104	/nfs/dbraw/zinc/08/71/04/284087104.db2.gz	AJBQSSUROZSUGE-UHFFFAOYSA-N	0	3	311.429	2.957	20	30		DFEDHN
C#Cc1ccc(CN2CCC(NC(=O)c3ccoc3C)CC2)cc1	ZINC000283727182	335005832	/nfs/dbraw/zinc/00/58/32/335005832.db2.gz	BUDBOYAKGJPHJT-UHFFFAOYSA-N	0	3	322.408	2.964	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](C)[C@H](CO)C2)ccc1OC	ZINC000191729901	335008550	/nfs/dbraw/zinc/00/85/50/335008550.db2.gz	FFQHQVVQVVLCAG-ZBFHGGJFSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#CC1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1	ZINC000061040325	335012097	/nfs/dbraw/zinc/01/20/97/335012097.db2.gz	MKRGNBCDTSNLAW-PKOBYXMFSA-N	0	3	314.429	2.677	20	30		DFEDHN
C=CCC[C@@H](C(=O)NCCN(C)CCCOC)c1ccccc1	ZINC000275095068	212117651	/nfs/dbraw/zinc/11/76/51/212117651.db2.gz	CCQGWTDVWLIEMK-GOSISDBHSA-N	0	3	318.461	2.821	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1CC1CCC1)C1CC1	ZINC000595866430	399117674	/nfs/dbraw/zinc/11/76/74/399117674.db2.gz	GYIXPYXMPSWMGI-WMZOPIPTSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN(CCC2CC2)CC2CC2)cc1	ZINC000595871391	399117881	/nfs/dbraw/zinc/11/78/81/399117881.db2.gz	MHUYDVBBGQBKCZ-UHFFFAOYSA-N	0	3	311.429	2.687	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1C#N	ZINC000340174947	284155990	/nfs/dbraw/zinc/15/59/90/284155990.db2.gz	UCCOCGQVSKYLAH-CVEARBPZSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cccc(Cl)c2)CCOCC1	ZINC000600715464	399121970	/nfs/dbraw/zinc/12/19/70/399121970.db2.gz	YTWHJRFNJBHINO-OAHLLOKOSA-N	0	3	308.809	2.501	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2sccc2Br)CC1	ZINC000600722281	399124102	/nfs/dbraw/zinc/12/41/02/399124102.db2.gz	QDGRRXGUNHLBKR-VIFPVBQESA-N	0	3	315.236	2.655	20	30		DFEDHN
CSc1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600719748	399122986	/nfs/dbraw/zinc/12/29/86/399122986.db2.gz	KIIBFDYKUCGZPF-OAHLLOKOSA-N	0	3	320.458	2.569	20	30		DFEDHN
CSc1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000600719746	399123107	/nfs/dbraw/zinc/12/31/07/399123107.db2.gz	KIIBFDYKUCGZPF-HNNXBMFYSA-N	0	3	320.458	2.569	20	30		DFEDHN
COc1ccc2ccccc2c1CNC[C@H](O)CC1(C#N)CC1	ZINC000600719345	399123138	/nfs/dbraw/zinc/12/31/38/399123138.db2.gz	VESOUYGXBFMUCP-OAHLLOKOSA-N	0	3	310.397	2.993	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000093605215	193272464	/nfs/dbraw/zinc/27/24/64/193272464.db2.gz	GRJCMKNOVIUSCM-HZPDHXFCSA-N	0	3	312.417	2.841	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](COCC)C2)cc(OC)c1O	ZINC000093838894	193314409	/nfs/dbraw/zinc/31/44/09/193314409.db2.gz	XCJICTPILBGXBB-CQSZACIVSA-N	0	3	305.418	2.988	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000600735177	399129193	/nfs/dbraw/zinc/12/91/93/399129193.db2.gz	ISNIOFAIZLNEDS-CMPLNLGQSA-N	0	3	310.319	2.736	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1	ZINC000179533190	399129907	/nfs/dbraw/zinc/12/99/07/399129907.db2.gz	FIKSGBSYYHPLEJ-OAHLLOKOSA-N	0	3	317.433	2.887	20	30		DFEDHN
COC(=O)c1cnc([C@H]2CCCN(CCCCC#N)C2)s1	ZINC000595913514	399133594	/nfs/dbraw/zinc/13/35/94/399133594.db2.gz	HCJFTQRGPJYKMU-LBPRGKRZSA-N	0	3	307.419	2.803	20	30		DFEDHN
CC#CCN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000181634557	399140595	/nfs/dbraw/zinc/14/05/95/399140595.db2.gz	SZAXAOXWYHUKJU-HNNXBMFYSA-N	0	3	303.425	2.642	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CC=CCC2)cc1	ZINC000600763152	399138756	/nfs/dbraw/zinc/13/87/56/399138756.db2.gz	ROVJJBMMKCPRHQ-HNNXBMFYSA-N	0	3	318.442	2.668	20	30		DFEDHN
C=CCOCCCNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000618515696	399141784	/nfs/dbraw/zinc/14/17/84/399141784.db2.gz	ZATUQGYXOXQETB-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C#N)cc2CO)cc1	ZINC000600781300	399144342	/nfs/dbraw/zinc/14/43/42/399144342.db2.gz	WYUOQCKOJGCBQY-ORAYPTAESA-N	0	3	308.381	2.767	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2cc(F)cc(Br)c2C1	ZINC000600794801	399149830	/nfs/dbraw/zinc/14/98/30/399149830.db2.gz	XXXFTKQBPDJHNI-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=C(C)COCCN[C@H](CN1CCOCC1)c1ccccc1C	ZINC000183795635	399155035	/nfs/dbraw/zinc/15/50/35/399155035.db2.gz	GUBCWEDDUTVZMJ-LJQANCHMSA-N	0	3	318.461	2.551	20	30		DFEDHN
C[C@H](C#N)CNC1CCN(C(=O)c2ccccc2Cl)CC1	ZINC000183837937	399155062	/nfs/dbraw/zinc/15/50/62/399155062.db2.gz	NDYAMOQHKDSWJB-GFCCVEGCSA-N	0	3	305.809	2.694	20	30		DFEDHN
CC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000271724554	209158927	/nfs/dbraw/zinc/15/89/27/209158927.db2.gz	XJUYCDGZXWGWRI-GOSISDBHSA-N	0	3	307.397	2.915	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000596088639	399168423	/nfs/dbraw/zinc/16/84/23/399168423.db2.gz	MRPKECOBJWUQAE-NVXWUHKLSA-N	0	3	314.433	2.625	20	30		DFEDHN
N#Cc1cc(Cl)ccc1CN1CCN(c2ccncc2)CC1	ZINC000614174204	399169933	/nfs/dbraw/zinc/16/99/33/399169933.db2.gz	FOAXMDNIZHNQEZ-UHFFFAOYSA-N	0	3	312.804	2.929	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1	ZINC000614176176	399169998	/nfs/dbraw/zinc/16/99/98/399169998.db2.gz	PPXKJRGRIPTYAP-QGZVFWFLSA-N	0	3	323.444	2.991	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000596100939	399172777	/nfs/dbraw/zinc/17/27/77/399172777.db2.gz	DWGIKPJVLOKZMV-ZDUSSCGKSA-N	0	3	315.446	2.677	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000596102443	399174167	/nfs/dbraw/zinc/17/41/67/399174167.db2.gz	SWNWMUNDEJINJP-INIZCTEOSA-N	0	3	321.490	2.898	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596130380	399183634	/nfs/dbraw/zinc/18/36/34/399183634.db2.gz	DCIJUIZZDUWGQD-BBRMVZONSA-N	0	3	307.401	2.564	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596130382	399183854	/nfs/dbraw/zinc/18/38/54/399183854.db2.gz	DCIJUIZZDUWGQD-CJNGLKHVSA-N	0	3	307.401	2.564	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)Cc1cccc(O)c1	ZINC000080921011	399189026	/nfs/dbraw/zinc/18/90/26/399189026.db2.gz	QPWFHCCWVPOCSU-UHFFFAOYSA-N	0	3	312.369	2.783	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CC[C@H](Cc2ccccc2)C1	ZINC000607739632	399191631	/nfs/dbraw/zinc/19/16/31/399191631.db2.gz	ORGOECSRZSJBOQ-GOSISDBHSA-N	0	3	300.446	2.976	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596154830	399194589	/nfs/dbraw/zinc/19/45/89/399194589.db2.gz	DGUXSQDKXRHGHR-RISCZKNCSA-N	0	3	300.362	2.812	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000266370071	205298764	/nfs/dbraw/zinc/29/87/64/205298764.db2.gz	BVQWUXUOHAIUKE-ZFWWWQNUSA-N	0	3	300.406	2.813	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(OC3CCC3)cc2)CC1	ZINC000266396025	205315870	/nfs/dbraw/zinc/31/58/70/205315870.db2.gz	XCYVHJPLEDSMET-UHFFFAOYSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(C(C)C)on2)CC1	ZINC000266425244	205335168	/nfs/dbraw/zinc/33/51/68/205335168.db2.gz	WACXNBGIGMCCAL-UHFFFAOYSA-N	0	3	306.410	2.960	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)cc1C#N	ZINC000282922438	217326963	/nfs/dbraw/zinc/32/69/63/217326963.db2.gz	FDLHHTTVSIQQRY-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1ccc(CN2CCC[C@H](c3cc(C)n[nH]3)C2)cc1C#N	ZINC000282922438	217326964	/nfs/dbraw/zinc/32/69/64/217326964.db2.gz	FDLHHTTVSIQQRY-HNNXBMFYSA-N	0	3	310.401	2.978	20	30		DFEDHN
Cc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N(C)C)cc1	ZINC000064114165	399216976	/nfs/dbraw/zinc/21/69/76/399216976.db2.gz	PYSBLJJJTNKJKD-QGZVFWFLSA-N	0	3	309.417	2.988	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCCN(C[C@@H]2CCCO2)CC1	ZINC000614397509	399225397	/nfs/dbraw/zinc/22/53/97/399225397.db2.gz	AJANKFLRRPFEHF-IBGZPJMESA-N	0	3	313.445	2.553	20	30		DFEDHN
Cc1cc(C)n2c(CN[C@@H]3CCc4cc(C#N)ccc43)cnc2n1	ZINC000618742117	399226478	/nfs/dbraw/zinc/22/64/78/399226478.db2.gz	JVNFTTKQZDBEQE-GOSISDBHSA-N	0	3	317.396	2.995	20	30		DFEDHN
C=C(Cl)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000267380508	206025939	/nfs/dbraw/zinc/02/59/39/206025939.db2.gz	LHDBZOSSUUSFJI-CJNGLKHVSA-N	0	3	321.852	2.949	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000267615356	206174932	/nfs/dbraw/zinc/17/49/32/206174932.db2.gz	PSFUIYLXOQGPRU-HNNXBMFYSA-N	0	3	316.380	2.789	20	30		DFEDHN
C=CCC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccco1	ZINC000285994930	335031431	/nfs/dbraw/zinc/03/14/31/335031431.db2.gz	HFGYJJIEAKPSQP-UONOGXRCSA-N	0	3	316.405	2.629	20	30		DFEDHN
CNC(=O)CC[C@H]1CCCCN1CC#Cc1ccc(F)cc1	ZINC000286359721	335033199	/nfs/dbraw/zinc/03/31/99/335033199.db2.gz	HJAPWHXPWNYCRA-QGZVFWFLSA-N	0	3	302.393	2.558	20	30		DFEDHN
CC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)n1	ZINC000614740429	399265429	/nfs/dbraw/zinc/26/54/29/399265429.db2.gz	GSLMBEMZFDOEEP-DYVFJYSZSA-N	0	3	323.400	2.721	20	30		DFEDHN
Cc1nccn1-c1ccc([C@@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601315247	399275564	/nfs/dbraw/zinc/27/55/64/399275564.db2.gz	IDGCMDMUPRMLFR-MRXNPFEDSA-N	0	3	323.444	2.773	20	30		DFEDHN
COc1ccc([C@@H](C)[C@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601314920	399275903	/nfs/dbraw/zinc/27/59/03/399275903.db2.gz	BSJPWSPOWQXPMA-HOTGVXAUSA-N	0	3	301.434	2.718	20	30		DFEDHN
CC(C)CN(CCn1ccccc1=O)Cc1ccc(C#N)cc1	ZINC000608788589	399295307	/nfs/dbraw/zinc/29/53/07/399295307.db2.gz	FQSYXHZXLCHEHB-UHFFFAOYSA-N	0	3	309.413	2.878	20	30		DFEDHN
Cn1cc(CCCN2CCC(Oc3ccc(C#N)cc3)CC2)cn1	ZINC000609145977	399306559	/nfs/dbraw/zinc/30/65/59/399306559.db2.gz	NZUQZQGRXRVTFR-UHFFFAOYSA-N	0	3	324.428	2.768	20	30		DFEDHN
Cc1nccn1[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1	ZINC000609260132	399310962	/nfs/dbraw/zinc/31/09/62/399310962.db2.gz	BXIUESYJVWVNDJ-KRWDZBQOSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#CCN1CCC(NCc2ccccc2Br)CC1	ZINC000609334861	399314324	/nfs/dbraw/zinc/31/43/24/399314324.db2.gz	JRINUCZUSFOIFG-UHFFFAOYSA-N	0	3	308.223	2.527	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000043329941	183355745	/nfs/dbraw/zinc/35/57/45/183355745.db2.gz	IQTGECZKAUDPNZ-SFHVURJKSA-N	0	3	322.412	2.853	20	30		DFEDHN
Cc1ccc(CNC(=O)C2CCN(CCCC#N)CC2)cc1F	ZINC000051880161	425883361	/nfs/dbraw/zinc/88/33/61/425883361.db2.gz	XZGJAGHQUXQOMI-UHFFFAOYSA-N	0	3	317.408	2.766	20	30		DFEDHN
Cc1noc(C)c1[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619291445	399325834	/nfs/dbraw/zinc/32/58/34/399325834.db2.gz	SAPQMWAYIJXMHP-BZNIZROVSA-N	0	3	322.368	2.723	20	30		DFEDHN
CN(CCOC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619298473	399326307	/nfs/dbraw/zinc/32/63/07/399326307.db2.gz	OGHLKUFZUWZSCZ-INIZCTEOSA-N	0	3	313.401	2.514	20	30		DFEDHN
CCn1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000619310882	399327450	/nfs/dbraw/zinc/32/74/50/399327450.db2.gz	MQHYLZZIIDRNCO-SFHVURJKSA-N	0	3	320.396	2.721	20	30		DFEDHN
CN1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000193056521	335041406	/nfs/dbraw/zinc/04/14/06/335041406.db2.gz	AMLYAVJGDWZYPN-UHFFFAOYSA-N	0	3	300.406	2.703	20	30		DFEDHN
OCC#Cc1ccc(-c2cc(CN3CCCC3)ccc2F)cn1	ZINC000623168323	399332380	/nfs/dbraw/zinc/33/23/80/399332380.db2.gz	NEMKNLPYQLOZGS-UHFFFAOYSA-N	0	3	310.372	2.827	20	30		DFEDHN
C#CCN(CCC(=O)Nc1cc(Cl)ccc1OC)C1CC1	ZINC000274158948	211389440	/nfs/dbraw/zinc/38/94/40/211389440.db2.gz	LYYKEFUQUGCVRW-UHFFFAOYSA-N	0	3	306.793	2.775	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2Cc3ccccc32)cc1	ZINC000619359190	399333244	/nfs/dbraw/zinc/33/32/44/399333244.db2.gz	FXSRIQZTOGOUEN-MSOLQXFVSA-N	0	3	315.376	2.697	20	30		DFEDHN
C#CCN(C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CC1	ZINC000274027576	211285007	/nfs/dbraw/zinc/28/50/07/211285007.db2.gz	CXFDDDJERBEVOA-GUYCJALGSA-N	0	3	307.821	2.876	20	30		DFEDHN
CC[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601812205	399341389	/nfs/dbraw/zinc/34/13/89/399341389.db2.gz	HSTCMDLDBQECKA-WMZOPIPTSA-N	0	3	300.402	2.522	20	30		DFEDHN
CC(C)[C@H](CCO)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000273970189	211226298	/nfs/dbraw/zinc/22/62/98/211226298.db2.gz	HLNUCDYWXDOSTI-NHYWBVRUSA-N	0	3	323.824	2.535	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@H]1[C@@H]1CCCO1	ZINC000284704157	218142490	/nfs/dbraw/zinc/14/24/90/218142490.db2.gz	IRPCLQXKFLWFFZ-HOTGVXAUSA-N	0	3	316.401	2.589	20	30		DFEDHN
C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1CN(C)CCO1	ZINC000619508546	399355032	/nfs/dbraw/zinc/35/50/32/399355032.db2.gz	KPFOKPUHGGHXGT-JVPBZIDWSA-N	0	3	313.445	2.634	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000610353793	399360387	/nfs/dbraw/zinc/36/03/87/399360387.db2.gz	IBZRAGAVFWGPFH-AWEZNQCLSA-N	0	3	312.417	2.569	20	30		DFEDHN
CCN1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000105351031	194098932	/nfs/dbraw/zinc/09/89/32/194098932.db2.gz	QPECLZOLRLBSND-UHFFFAOYSA-N	0	3	306.797	2.771	20	30		DFEDHN
C[S@](=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CCC1	ZINC000619554536	399361724	/nfs/dbraw/zinc/36/17/24/399361724.db2.gz	RQRRKMBIUIUQCG-KKSFZXQISA-N	0	3	302.443	2.826	20	30		DFEDHN
COc1cc(CN[C@@H](CO)[C@@H](C)c2ccccc2)ccc1C#N	ZINC000619654016	399372175	/nfs/dbraw/zinc/37/21/75/399372175.db2.gz	YVONSMHFHFFUQJ-KSSFIOAISA-N	0	3	310.397	2.821	20	30		DFEDHN
C=CCCC(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000601969046	399371614	/nfs/dbraw/zinc/37/16/14/399371614.db2.gz	RVICHTFBLLMPAQ-UHFFFAOYSA-N	0	3	320.458	2.914	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Cc1ccc(C#N)cc1	ZINC000610577982	399382154	/nfs/dbraw/zinc/38/21/54/399382154.db2.gz	JFNNVKPOLJRBJJ-ZWKOTPCHSA-N	0	3	311.429	2.576	20	30		DFEDHN
Cc1cc(CNCCn2ccc(C(F)(F)F)n2)ccc1C#N	ZINC000602017269	399385214	/nfs/dbraw/zinc/38/52/14/399385214.db2.gz	NTZZVHNBKGVSNY-UHFFFAOYSA-N	0	3	308.307	2.872	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000602019814	399386155	/nfs/dbraw/zinc/38/61/55/399386155.db2.gz	IYHAWHDOJFCKLF-CRAIPNDOSA-N	0	3	311.429	2.882	20	30		DFEDHN
CCC[C@@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCOC1	ZINC000285363439	218399122	/nfs/dbraw/zinc/39/91/22/218399122.db2.gz	ANAGFYQHTJNPJM-MRXNPFEDSA-N	0	3	321.808	2.699	20	30		DFEDHN
CC(C)(NCCOc1cccc(C#N)c1)C(=O)Nc1ccccc1	ZINC000610662640	399390431	/nfs/dbraw/zinc/39/04/31/399390431.db2.gz	NXAQYYPJCXMUKA-UHFFFAOYSA-N	0	3	323.396	2.944	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610720697	399397606	/nfs/dbraw/zinc/39/76/06/399397606.db2.gz	ATOVDRWYQWVULW-RHSMWYFYSA-N	0	3	314.433	2.793	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000610717904	399396826	/nfs/dbraw/zinc/39/68/26/399396826.db2.gz	XUALQQLPVATEQC-PBHICJAKSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=CC[C@H](CO)NCc1cccc(F)c1OCC(F)(F)F	ZINC000623491325	399401343	/nfs/dbraw/zinc/40/13/43/399401343.db2.gz	OPUIJSSRXQBKEW-LLVKDONJSA-N	0	3	307.287	2.793	20	30		DFEDHN
Cc1ccnc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602164105	399403723	/nfs/dbraw/zinc/40/37/23/399403723.db2.gz	LGFOGXSCYGKBDR-HOCLYGCPSA-N	0	3	308.385	2.735	20	30		DFEDHN
CN(CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)CC(C)(C)C	ZINC000602160769	399403082	/nfs/dbraw/zinc/40/30/82/399403082.db2.gz	OHKIRZYSRHCNMC-SJORKVTESA-N	0	3	313.445	2.730	20	30		DFEDHN
N#CCN1CCC(NCc2cnc(C3CCCC3)s2)CC1	ZINC000610860058	399413114	/nfs/dbraw/zinc/41/31/14/399413114.db2.gz	RRWRDRUJOKHOMG-UHFFFAOYSA-N	0	3	304.463	2.878	20	30		DFEDHN
N#CC1(N(C(=O)[C@H]2CCN(Cc3ccccc3)C2)C2CC2)CCC1	ZINC000602316050	399423090	/nfs/dbraw/zinc/42/30/90/399423090.db2.gz	OMAGRYIWMISLLB-KRWDZBQOSA-N	0	3	323.440	2.946	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(CCOc2ccccc2)CC1	ZINC000602432597	399442694	/nfs/dbraw/zinc/44/26/94/399442694.db2.gz	MQJLBLRDQPTIFO-QGZVFWFLSA-N	0	3	301.434	2.623	20	30		DFEDHN
CCN(CC(=O)Nc1cccc(OC)c1)C[C@H](C)CCC#N	ZINC000602434001	399443525	/nfs/dbraw/zinc/44/35/25/399443525.db2.gz	NZOQKBUWHBOYPP-CQSZACIVSA-N	0	3	303.406	2.895	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(C)(C)n1cncn1	ZINC000602455757	399449496	/nfs/dbraw/zinc/44/94/96/399449496.db2.gz	UJGKCQLCMCYMOK-HNNXBMFYSA-N	0	3	309.417	2.962	20	30		DFEDHN
CCN1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1C	ZINC000611271148	399454299	/nfs/dbraw/zinc/45/42/99/399454299.db2.gz	NXNGZHNGRIOIBH-INIZCTEOSA-N	0	3	301.434	2.895	20	30		DFEDHN
CCc1ccc([C@@H](CNCc2cccc(C#N)n2)N(C)C)cc1	ZINC000602503627	399462790	/nfs/dbraw/zinc/46/27/90/399462790.db2.gz	NFJXOROTHCDNQN-LJQANCHMSA-N	0	3	308.429	2.908	20	30		DFEDHN
CC(=O)Nc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1	ZINC000602505556	399462462	/nfs/dbraw/zinc/46/24/62/399462462.db2.gz	FEKWDKVRAPXZKU-AWEZNQCLSA-N	0	3	315.417	2.834	20	30		DFEDHN
CCN(CC)[C@H](CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602508282	399463732	/nfs/dbraw/zinc/46/37/32/399463732.db2.gz	LUWCGBMJMRWRRK-FQEVSTJZSA-N	0	3	322.456	2.996	20	30		DFEDHN
N#C[C@]1(C(=O)NCc2ccc(-c3ccccc3)s2)CCNC1	ZINC000602529608	399468914	/nfs/dbraw/zinc/46/89/14/399468914.db2.gz	BXXVSOBLEDQJQN-QGZVFWFLSA-N	0	3	311.410	2.535	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2c(C)ccnc2C)CC1	ZINC000287429408	335046132	/nfs/dbraw/zinc/04/61/32/335046132.db2.gz	GLHKKDGINCLIDH-UHFFFAOYSA-N	0	3	302.422	2.860	20	30		DFEDHN
CC[C@@H](NCc1ccnc(C#N)c1)c1ccc2c(c1)OCCO2	ZINC000611383962	399468237	/nfs/dbraw/zinc/46/82/37/399468237.db2.gz	BYMDUUGEUFZSJU-MRXNPFEDSA-N	0	3	309.369	2.965	20	30		DFEDHN
COc1cccc(N2CC[C@@H](CNCc3cccc(C#N)n3)C2)c1	ZINC000602527791	399468411	/nfs/dbraw/zinc/46/84/11/399468411.db2.gz	LSFPWPWGZDQTSM-HNNXBMFYSA-N	0	3	322.412	2.578	20	30		DFEDHN
COc1cccc(N2CC[C@H](CNCc3cccc(C#N)n3)C2)c1	ZINC000602527793	399468626	/nfs/dbraw/zinc/46/86/26/399468626.db2.gz	LSFPWPWGZDQTSM-OAHLLOKOSA-N	0	3	322.412	2.578	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCOC[C@@H]1CCOC1	ZINC000611392814	399469593	/nfs/dbraw/zinc/46/95/93/399469593.db2.gz	NIPIIHWFQJTGBX-CRAIPNDOSA-N	0	3	300.402	2.578	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394695	399470097	/nfs/dbraw/zinc/47/00/97/399470097.db2.gz	WQAXDWHBURUCOK-QVDUIBETSA-N	0	3	309.413	2.535	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@@H]1OCCc2ccccc21	ZINC000602547055	399472262	/nfs/dbraw/zinc/47/22/62/399472262.db2.gz	PCUQBLXQMZGQEW-QAPCUYQASA-N	0	3	314.429	2.989	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000602549959	399473352	/nfs/dbraw/zinc/47/33/52/399473352.db2.gz	GLRMPXIHPFQKFW-JSGCOSHPSA-N	0	3	305.809	2.975	20	30		DFEDHN
CCc1nn(C)c(CC)c1CN[C@@H](C)CC1(C#N)CCOCC1	ZINC000602581856	399482489	/nfs/dbraw/zinc/48/24/89/399482489.db2.gz	KFWHNIDUTBCDOY-AWEZNQCLSA-N	0	3	318.465	2.733	20	30		DFEDHN
Cc1ccc([C@@H](CNCc2cccc(C#N)n2)N2CCCC2)o1	ZINC000602585908	399483851	/nfs/dbraw/zinc/48/38/51/399483851.db2.gz	KTLHXWJHAMNRLC-QGZVFWFLSA-N	0	3	310.401	2.781	20	30		DFEDHN
C[C@@H](CCC#N)CNCc1nnc2n1CCC[C@@H]2C(F)(F)F	ZINC000602607066	399488463	/nfs/dbraw/zinc/48/84/63/399488463.db2.gz	REJIUPXNNSYKRZ-QWRGUYRKSA-N	0	3	315.343	2.747	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCC[C@H](OC(F)F)C2)cc1	ZINC000611578584	399496573	/nfs/dbraw/zinc/49/65/73/399496573.db2.gz	QNCZCOHWXOTKKJ-AWEZNQCLSA-N	0	3	323.343	2.590	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCC[C@H](OC(F)F)C2)c1	ZINC000611579538	399496775	/nfs/dbraw/zinc/49/67/75/399496775.db2.gz	LIKMKUUZILOMST-AWEZNQCLSA-N	0	3	323.343	2.590	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000602645068	399500683	/nfs/dbraw/zinc/50/06/83/399500683.db2.gz	GJFXOJFSIAIPCA-BZNIZROVSA-N	0	3	317.345	2.807	20	30		DFEDHN
C[C@@H](CCC#N)CN[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000602650072	399502538	/nfs/dbraw/zinc/50/25/38/399502538.db2.gz	RHAZWWILZHFEEP-GXFFZTMASA-N	0	3	324.222	2.505	20	30		DFEDHN
N#Cc1cccc(CN2CCCN3c4ccccc4C[C@@H]3C2)n1	ZINC000602671181	399514026	/nfs/dbraw/zinc/51/40/26/399514026.db2.gz	RVZSHMWWUVEGTH-GOSISDBHSA-N	0	3	304.397	2.590	20	30		DFEDHN
C=C(CNC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1	ZINC000287783153	335048031	/nfs/dbraw/zinc/04/80/31/335048031.db2.gz	ARDDVOLRORHAMI-SFHVURJKSA-N	0	3	313.445	2.970	20	30		DFEDHN
CC(C)CO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000119879429	195054232	/nfs/dbraw/zinc/05/42/32/195054232.db2.gz	XDHGYAZOUSTPHD-AWEZNQCLSA-N	0	3	321.446	2.695	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CCN(c3ccccc3F)C2)n1	ZINC000602678920	399516858	/nfs/dbraw/zinc/51/68/58/399516858.db2.gz	ZQWFLEYULQETSZ-AWEZNQCLSA-N	0	3	310.376	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc3cnccc32)CC1	ZINC000625320608	399519199	/nfs/dbraw/zinc/51/91/99/399519199.db2.gz	BDKWIYOUZYDBLH-UHFFFAOYSA-N	0	3	309.413	2.544	20	30		DFEDHN
C#CCCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000287825900	335048356	/nfs/dbraw/zinc/04/83/56/335048356.db2.gz	BEDZBSHVCCPABE-WBVHZDCISA-N	0	3	301.434	2.781	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)[C@]12CCCO2	ZINC000602701411	399528287	/nfs/dbraw/zinc/52/82/87/399528287.db2.gz	RIPUWGXZQWSOHL-KZNAEPCWSA-N	0	3	300.402	2.569	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)OCC	ZINC000270147823	208206648	/nfs/dbraw/zinc/20/66/48/208206648.db2.gz	UTPZZXDYGHGZQI-SJORKVTESA-N	0	3	304.434	2.777	20	30		DFEDHN
Cc1cnc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1	ZINC000602705612	399530517	/nfs/dbraw/zinc/53/05/17/399530517.db2.gz	MKVPCLAWNFJNKY-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
C[C@@H](O)[C@H](N[C@H](C)CC1(C#N)CCOCC1)c1ccccc1	ZINC000602715426	399535327	/nfs/dbraw/zinc/53/53/27/399535327.db2.gz	NAYWFCGBFHJFKX-INMHGKMJSA-N	0	3	302.418	2.797	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](NCc3cccc(C#N)n3)C2)cc1	ZINC000602740280	399550542	/nfs/dbraw/zinc/55/05/42/399550542.db2.gz	AYZCWNARXOISCW-LJQANCHMSA-N	0	3	306.413	2.626	20	30		DFEDHN
COC(=O)c1cc(C2CCN(C[C@@H](C)CCC#N)CC2)no1	ZINC000602748804	399554758	/nfs/dbraw/zinc/55/47/58/399554758.db2.gz	UPWQYXJXSPLMSQ-LBPRGKRZSA-N	0	3	305.378	2.580	20	30		DFEDHN
C[C@H]1CCCN(C(=O)C2CCN(CC3(CC#N)CC3)CC2)C1	ZINC000602763129	399560688	/nfs/dbraw/zinc/56/06/88/399560688.db2.gz	BESSXYNEENGBRO-HNNXBMFYSA-N	0	3	303.450	2.651	20	30		DFEDHN
Cc1cc(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n[nH]1	ZINC000272890413	210281120	/nfs/dbraw/zinc/28/11/20/210281120.db2.gz	DUVREADWDNSFBX-GOSISDBHSA-N	0	3	310.401	2.503	20	30		DFEDHN
Cc1cc(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)[nH]n1	ZINC000272890413	210281124	/nfs/dbraw/zinc/28/11/24/210281124.db2.gz	DUVREADWDNSFBX-GOSISDBHSA-N	0	3	310.401	2.503	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1	ZINC000288009184	335051141	/nfs/dbraw/zinc/05/11/41/335051141.db2.gz	LZQMTNWHNMNXJF-RDJZCZTQSA-N	0	3	301.434	2.824	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1Cl	ZINC000193691824	335052047	/nfs/dbraw/zinc/05/20/47/335052047.db2.gz	CPGDSGJETIQCMF-IAQYHMDHSA-N	0	3	308.809	2.519	20	30		DFEDHN
N#CCC1(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1	ZINC000602780644	399570121	/nfs/dbraw/zinc/57/01/21/399570121.db2.gz	WQYGWBZYZZHRTM-MRXNPFEDSA-N	0	3	311.429	2.822	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCCCC1	ZINC000612094549	399580354	/nfs/dbraw/zinc/58/03/54/399580354.db2.gz	JYBOWPHFSUNLII-QGZVFWFLSA-N	0	3	306.454	2.586	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCCC[C@H]1C	ZINC000612100656	399581964	/nfs/dbraw/zinc/58/19/64/399581964.db2.gz	SNDDEEBRHZZGTO-HLLBOEOZSA-N	0	3	306.454	2.585	20	30		DFEDHN
CCN1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000157433668	197187138	/nfs/dbraw/zinc/18/71/38/197187138.db2.gz	ZRXBYUNZZRIGFF-UHFFFAOYSA-N	0	3	317.433	2.515	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612125307	399588225	/nfs/dbraw/zinc/58/82/25/399588225.db2.gz	IGFOJUJGUQPUIV-WBVHZDCISA-N	0	3	306.454	2.586	20	30		DFEDHN
COc1ccc(OC)c(CCCNCc2ccc(C#N)o2)c1	ZINC000156781151	197140109	/nfs/dbraw/zinc/14/01/09/197140109.db2.gz	GKTRGJJNFFRMPD-UHFFFAOYSA-N	0	3	300.358	2.891	20	30		DFEDHN
C[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1n1ccnc1	ZINC000156501990	197117906	/nfs/dbraw/zinc/11/79/06/197117906.db2.gz	VYVAYGXHHDRVIP-QAPCUYQASA-N	0	3	310.401	2.717	20	30		DFEDHN
N#Cc1cccc(CN2CCCN(c3ccncc3)CC2)c1F	ZINC000602845375	399598510	/nfs/dbraw/zinc/59/85/10/399598510.db2.gz	ITXXRUVFEVJDIQ-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
Cc1cc(C)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1	ZINC000602842971	399598830	/nfs/dbraw/zinc/59/88/30/399598830.db2.gz	WQOABWYGVUBHMT-KRWDZBQOSA-N	0	3	322.412	2.927	20	30		DFEDHN
COc1ccc([C@H](C)CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1	ZINC000602852079	399602977	/nfs/dbraw/zinc/60/29/77/399602977.db2.gz	ZUEXMZUZTUVKFA-BZUAXINKSA-N	0	3	301.434	2.717	20	30		DFEDHN
COCC[C@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602856340	399604983	/nfs/dbraw/zinc/60/49/83/399604983.db2.gz	ZGCMPKZROBFAFQ-SOLBZPMBSA-N	0	3	301.434	2.682	20	30		DFEDHN
CCN1[C@H](C)CN(CCCOc2cccc(C#N)c2)C[C@@H]1C	ZINC000602873747	399610987	/nfs/dbraw/zinc/61/09/87/399610987.db2.gz	KKQVOWNIQONVIX-IYBDPMFKSA-N	0	3	301.434	2.742	20	30		DFEDHN
COc1ccc([C@H](CNc2cnc(C#N)cn2)N2CCCC2)cc1	ZINC000120512730	195181726	/nfs/dbraw/zinc/18/17/26/195181726.db2.gz	XDKNEROWXOEDIY-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
COc1cccc([C@H](CNc2cnc(C#N)cn2)N2CCCC2)c1	ZINC000120594651	195197099	/nfs/dbraw/zinc/19/70/99/195197099.db2.gz	SPFDQHNAWBYKDD-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000288630084	335054141	/nfs/dbraw/zinc/05/41/41/335054141.db2.gz	SLMMHPTYSNLZFS-HXUWFJFHSA-N	0	3	322.452	2.676	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000289630129	221115269	/nfs/dbraw/zinc/11/52/69/221115269.db2.gz	FDJLAEKXRBMOAJ-UHFFFAOYSA-N	0	3	304.369	2.645	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602924181	399629020	/nfs/dbraw/zinc/62/90/20/399629020.db2.gz	LZWNGNWEHAVMGO-NIKGAXFTSA-N	0	3	308.381	2.743	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2COc3ccccc3[C@H]2O)c1	ZINC000288585741	335056998	/nfs/dbraw/zinc/05/69/98/335056998.db2.gz	ODEKGTPLFHINAW-PKOBYXMFSA-N	0	3	311.381	2.836	20	30		DFEDHN
Cc1[nH]ncc1CN(C)Cc1ccc(Br)cc1C#N	ZINC000602942279	399633661	/nfs/dbraw/zinc/63/36/61/399633661.db2.gz	NDOVGFGBPFATIM-UHFFFAOYSA-N	0	3	319.206	2.984	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(CCCOc3cccc(C#N)c3)C2)c1	ZINC000289883488	221290568	/nfs/dbraw/zinc/29/05/68/221290568.db2.gz	MLYQFFUVGBMCOV-QGZVFWFLSA-N	0	3	310.401	2.779	20	30		DFEDHN
C#Cc1ccc(CNC[C@H](c2ccc(C)o2)N2CCOCC2)cc1	ZINC000289350809	335058335	/nfs/dbraw/zinc/05/83/35/335058335.db2.gz	XJKBCMSGUIQDBL-LJQANCHMSA-N	0	3	324.424	2.732	20	30		DFEDHN
C#CCC(C)(C)c1nc(-c2ccccc2OCCN(C)C)no1	ZINC000288958520	335059169	/nfs/dbraw/zinc/05/91/69/335059169.db2.gz	HBRZRQSHUVJNJC-UHFFFAOYSA-N	0	3	313.401	2.978	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ocnc1C1CC1)C(C)C	ZINC000289053796	335059640	/nfs/dbraw/zinc/05/96/40/335059640.db2.gz	BOWPSKHKVYJKEJ-OAHLLOKOSA-N	0	3	317.433	2.980	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCC2)CC1	ZINC000602999948	399655837	/nfs/dbraw/zinc/65/58/37/399655837.db2.gz	QASSYQUJECYQCS-GDBMZVCRSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(F)cc(C#N)c2)CCN1C	ZINC000603074409	399674231	/nfs/dbraw/zinc/67/42/31/399674231.db2.gz	HKHKQHDWEXQUPZ-IAQYHMDHSA-N	0	3	304.369	2.644	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603069995	399671281	/nfs/dbraw/zinc/67/12/81/399671281.db2.gz	AHAWESOTVWCKKZ-CVEARBPZSA-N	0	3	316.380	2.788	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(N)c2C)CC1	ZINC000625920376	399687636	/nfs/dbraw/zinc/68/76/36/399687636.db2.gz	ZWLKZTYCOVIXOH-UHFFFAOYSA-N	0	3	302.422	2.739	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)n1cc(CCN2CCCCC2)nn1	ZINC000603229065	399717279	/nfs/dbraw/zinc/71/72/79/399717279.db2.gz	VPDUYDIMKPBPAA-HNNXBMFYSA-N	0	3	309.417	2.787	20	30		DFEDHN
Cc1ccc(Cn2cc(CCN3CCCCC3)nn2)cc1C#N	ZINC000603224402	399715741	/nfs/dbraw/zinc/71/57/41/399715741.db2.gz	RYIQTDZMLYZHSD-UHFFFAOYSA-N	0	3	309.417	2.535	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(OCCCO)CC2)cc1	ZINC000093694081	542554141	/nfs/dbraw/zinc/55/41/41/542554141.db2.gz	VCTHGXIXZOPLKC-UHFFFAOYSA-N	0	3	305.418	2.615	20	30		DFEDHN
CC(C)(C)[C@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1	ZINC000603242025	399720412	/nfs/dbraw/zinc/72/04/12/399720412.db2.gz	JVYQXJSVBJFEOV-MRXNPFEDSA-N	0	3	313.405	2.665	20	30		DFEDHN
CCN1CCC[C@H](Nc2ccc(C#N)cc2COCCOC)C1	ZINC000603277949	399729453	/nfs/dbraw/zinc/72/94/53/399729453.db2.gz	NTRBXTCNQFEFEO-KRWDZBQOSA-N	0	3	317.433	2.617	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(C(=O)c2ccccc2)CC1	ZINC000621243820	399731510	/nfs/dbraw/zinc/73/15/10/399731510.db2.gz	RSPGJPJHQLTDCM-KRWDZBQOSA-N	0	3	314.429	2.882	20	30		DFEDHN
C#C[C@H](N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)C(C)C	ZINC000289371954	335062701	/nfs/dbraw/zinc/06/27/01/335062701.db2.gz	LOJGUNBYQWSRDV-HIFRSBDPSA-N	0	3	318.417	2.668	20	30		DFEDHN
CC(=O)c1ccc2c(c1)CCN(C[C@H](O)CC(C)(C)C#N)CC2	ZINC000621269872	399739393	/nfs/dbraw/zinc/73/93/93/399739393.db2.gz	GWLAFEAEBLBFEG-GOSISDBHSA-N	0	3	314.429	2.591	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1c1cc(C#N)c(Br)cn1	ZINC000603402292	399767053	/nfs/dbraw/zinc/76/70/53/399767053.db2.gz	MXQYIMAMDBOOPR-LBPRGKRZSA-N	0	3	323.238	2.636	20	30		DFEDHN
C/C=C/C[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000603438034	399776422	/nfs/dbraw/zinc/77/64/22/399776422.db2.gz	WBJZNQNVOGKWMA-ZMUQKWFASA-N	0	3	324.428	2.880	20	30		DFEDHN
C/C=C\C[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000603438033	399776472	/nfs/dbraw/zinc/77/64/72/399776472.db2.gz	WBJZNQNVOGKWMA-LHRDXKRPSA-N	0	3	324.428	2.880	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CNc2cccc(Cl)c2)CC1	ZINC000603868104	399810314	/nfs/dbraw/zinc/81/03/14/399810314.db2.gz	HZMNLZHIGJGRRK-UHFFFAOYSA-N	0	3	321.852	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)CNc2cccc(Cl)c2)CC1	ZINC000603868785	399811475	/nfs/dbraw/zinc/81/14/75/399811475.db2.gz	LCCMKLCBIAZIFJ-UHFFFAOYSA-N	0	3	307.825	2.519	20	30		DFEDHN
C=CCOc1ccc(CNCCc2nnc(C)s2)cc1OC	ZINC000289890924	335066907	/nfs/dbraw/zinc/06/69/07/335066907.db2.gz	QHZGZCDDGOZDBR-UHFFFAOYSA-N	0	3	319.430	2.752	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CF)c2ccc(F)cc2)CC1	ZINC000633038822	399828666	/nfs/dbraw/zinc/82/86/66/399828666.db2.gz	ALQAAWOPVIDWRN-MRXNPFEDSA-N	0	3	323.387	2.786	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CC)[C@H]2CCN(CC)C2)cc1	ZINC000617931363	399840203	/nfs/dbraw/zinc/84/02/03/399840203.db2.gz	VYQOYQNRRXCJML-INIZCTEOSA-N	0	3	302.418	2.808	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)CCN1C	ZINC000329590659	543106491	/nfs/dbraw/zinc/10/64/91/543106491.db2.gz	YPGAOUGOGOODAS-RISCZKNCSA-N	0	3	301.390	2.812	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cn(CC)nc2C2CC2)CC1	ZINC000630943162	399951148	/nfs/dbraw/zinc/95/11/48/399951148.db2.gz	OMSSBOBZRKGRER-UHFFFAOYSA-N	0	3	316.449	2.551	20	30		DFEDHN
C=C1CC(C)(C(=O)NCC2(N3CCSCC3)CCCC2)C1	ZINC000630731913	399921809	/nfs/dbraw/zinc/92/18/09/399921809.db2.gz	CGETXYAMVADYBF-UHFFFAOYSA-N	0	3	308.491	2.821	20	30		DFEDHN
C=C1CC(C)(C(=O)NCc2ccccc2OCCN(C)C)C1	ZINC000630852626	399939458	/nfs/dbraw/zinc/93/94/58/399939458.db2.gz	PMKJTPQKDGCEBN-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C1CC(C)(C(=O)NCc2cccc(OCCN(C)C)c2)C1	ZINC000630905744	399945687	/nfs/dbraw/zinc/94/56/87/399945687.db2.gz	GAGRISWAODBMQO-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	ZINC000424093187	543341913	/nfs/dbraw/zinc/34/19/13/543341913.db2.gz	QWIIAPHXZJZFIX-STQMWFEESA-N	0	3	313.323	2.817	20	30		DFEDHN
Cc1ccncc1CNCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000354671659	147111443	/nfs/dbraw/zinc/11/14/43/147111443.db2.gz	WTZMFAXDDSJNSM-UHFFFAOYSA-N	0	3	317.396	2.952	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccnc(C#N)c2)C1	ZINC000355048175	147218749	/nfs/dbraw/zinc/21/87/49/147218749.db2.gz	YFPCXWLRLTXAIH-RHSMWYFYSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000576697238	543453724	/nfs/dbraw/zinc/45/37/24/543453724.db2.gz	VYKNOZMGTLBCEX-DAYGRLMNSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(C#N)c[nH]1)N(C)C	ZINC000357857030	148152259	/nfs/dbraw/zinc/15/22/59/148152259.db2.gz	GAWQIGQXIVMQQQ-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
CC[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1CCOC	ZINC000361002897	149004966	/nfs/dbraw/zinc/00/49/66/149004966.db2.gz	MCIUDWCUQXJILE-MRXNPFEDSA-N	0	3	324.428	2.653	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCOC1	ZINC000361254099	149066687	/nfs/dbraw/zinc/06/66/87/149066687.db2.gz	YWYPIYIREBFZGS-KRWDZBQOSA-N	0	3	310.401	2.570	20	30		DFEDHN
CCN(CCN1CCCOCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000361294873	149077662	/nfs/dbraw/zinc/07/76/62/149077662.db2.gz	BFQBRVCFVFAXBS-MRXNPFEDSA-N	0	3	301.434	2.663	20	30		DFEDHN
CCN(Cc1cc(C#N)n(C)c1)[C@H](COC)Cc1ccccc1	ZINC000361575924	149155242	/nfs/dbraw/zinc/15/52/42/149155242.db2.gz	DRLRKFFLNKDFLS-IBGZPJMESA-N	0	3	311.429	2.976	20	30		DFEDHN
Cc1ccc2c(c1)CCN(C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000361841306	149234753	/nfs/dbraw/zinc/23/47/53/149234753.db2.gz	CUIPMHBNVAWOKL-IBGZPJMESA-N	0	3	322.408	2.665	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21	ZINC000373180898	150242923	/nfs/dbraw/zinc/24/29/23/150242923.db2.gz	XBZLJHFHUFYSBU-ABAIWWIYSA-N	0	3	318.808	2.770	20	30		DFEDHN
COc1cc(CN2CCC3(CCOCC3)[C@@H]2C)ccc1C#N	ZINC000374202881	150320343	/nfs/dbraw/zinc/32/03/43/150320343.db2.gz	AGMSWHQXMHWRMU-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
COc1cc(CN2CCC[C@H](c3ccnn3C)C2)ccc1C#N	ZINC000374206364	150322054	/nfs/dbraw/zinc/32/20/54/150322054.db2.gz	SGYRLZDJJVZYMO-INIZCTEOSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1ccc(C2=CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1	ZINC000374307717	150341480	/nfs/dbraw/zinc/34/14/80/150341480.db2.gz	IFZGVXSBPKANBK-UHFFFAOYSA-N	0	3	317.392	2.946	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000248137135	158161179	/nfs/dbraw/zinc/16/11/79/158161179.db2.gz	XSQXJZYUCYGMOH-UYAOXDASSA-N	0	3	319.408	2.662	20	30		DFEDHN
CC[C@H]1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000356933096	158325078	/nfs/dbraw/zinc/32/50/78/158325078.db2.gz	XTCKVXIWZVJAJB-WMZOPIPTSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2ccc(C#N)cc2OC(F)F)CCN1C	ZINC000357005063	158345313	/nfs/dbraw/zinc/34/53/13/158345313.db2.gz	QRQBCRWYBDDHDJ-VXGBXAGGSA-N	0	3	309.360	2.684	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCSC2)CC1	ZINC000371944995	287131511	/nfs/dbraw/zinc/13/15/11/287131511.db2.gz	ZMGCMYAPJFUPBZ-WMLDXEAASA-N	0	3	301.459	2.742	20	30		DFEDHN
C=CCNC(=O)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000290230605	335070293	/nfs/dbraw/zinc/07/02/93/335070293.db2.gz	FUYXDDSUFBYIIE-LLVKDONJSA-N	0	3	300.324	2.701	20	30		DFEDHN
CCC[C@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000129120208	196020979	/nfs/dbraw/zinc/02/09/79/196020979.db2.gz	AWAKQIOCCTVDCX-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CN(CCNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000053751134	425888647	/nfs/dbraw/zinc/88/86/47/425888647.db2.gz	HXDURTQZEVDGAT-UHFFFAOYSA-N	0	3	308.385	2.812	20	30		DFEDHN
Cc1oc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c(C#N)c1C	ZINC000132613604	196270873	/nfs/dbraw/zinc/27/08/73/196270873.db2.gz	LXBNVOMNDHMFEC-CYBMUJFWSA-N	0	3	319.405	2.642	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(Cl)c2F)CC1	ZINC000290355071	335072779	/nfs/dbraw/zinc/07/27/79/335072779.db2.gz	YWCDGLFJRNNJIM-UHFFFAOYSA-N	0	3	310.800	2.788	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1OC	ZINC000668705292	543849587	/nfs/dbraw/zinc/84/95/87/543849587.db2.gz	JDPYWTCDCWESGU-CVEARBPZSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1OC	ZINC000668705296	543849775	/nfs/dbraw/zinc/84/97/75/543849775.db2.gz	JDPYWTCDCWESGU-JKSUJKDBSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cnccc1C)C(C)C	ZINC000668682184	543844867	/nfs/dbraw/zinc/84/48/67/543844867.db2.gz	AFUGLBHENHZZAU-GOSISDBHSA-N	0	3	315.461	2.747	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](OC)C1)C(C)C	ZINC000668682321	543844917	/nfs/dbraw/zinc/84/49/17/543844917.db2.gz	DPWMZDOUGFHQFF-YESZJQIVSA-N	0	3	308.466	2.616	20	30		DFEDHN
COCC#CCN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000670092262	544022295	/nfs/dbraw/zinc/02/22/95/544022295.db2.gz	UVKPAUSPQRENRQ-MSOLQXFVSA-N	0	3	322.399	2.728	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H]([C@@H]3CNC(=O)C3)C2)c1	ZINC000671443537	544072185	/nfs/dbraw/zinc/07/21/85/544072185.db2.gz	UPLURYNRPWMXJR-SJORKVTESA-N	0	3	314.429	2.600	20	30		DFEDHN
CN(Cc1ccccn1)[C@H]1CCCN(c2cccnc2C#N)CC1	ZINC000290903524	222007581	/nfs/dbraw/zinc/00/75/81/222007581.db2.gz	FPLJNLHMCVCIOS-KRWDZBQOSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCC[C@H](O)CN(C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000675486881	544315846	/nfs/dbraw/zinc/31/58/46/544315846.db2.gz	PFKDMQGEFPUHIU-JKSUJKDBSA-N	0	3	304.434	2.533	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2CCC(F)(F)C2)CC1	ZINC000675651204	544326498	/nfs/dbraw/zinc/32/64/98/544326498.db2.gz	LCBSKWSZVCPGHU-ZDUSSCGKSA-N	0	3	301.381	2.514	20	30		DFEDHN
C=C(C)COc1cc(CN(CCCO)C2CC2)ccc1OC	ZINC000678263699	544638047	/nfs/dbraw/zinc/63/80/47/544638047.db2.gz	MYVHUGWNKZILKT-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2nc(C)cc(OC)n2)CC1	ZINC000678715361	544711840	/nfs/dbraw/zinc/71/18/40/544711840.db2.gz	OHVDFFKKUYDVJH-HNNXBMFYSA-N	0	3	304.438	2.660	20	30		DFEDHN
COCC#CCN[C@@H](C)c1ccc(OC)c(Br)c1	ZINC000678732680	544713127	/nfs/dbraw/zinc/71/31/27/544713127.db2.gz	ANAAWMLSKOVACG-NSHDSACASA-N	0	3	312.207	2.758	20	30		DFEDHN
C[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000299715343	229355655	/nfs/dbraw/zinc/35/56/55/229355655.db2.gz	RHFSDMVKJBQFKG-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000679380521	544845734	/nfs/dbraw/zinc/84/57/34/544845734.db2.gz	KEOOHXOAAGDLOH-MRXNPFEDSA-N	0	3	317.433	2.504	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H](CC)CN1CCCC1	ZINC000679381537	544845759	/nfs/dbraw/zinc/84/57/59/544845759.db2.gz	IUUWXBFKHRSHDF-INIZCTEOSA-N	0	3	319.449	2.894	20	30		DFEDHN
C[C@H](CN1CCCCCC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000302370195	230227977	/nfs/dbraw/zinc/22/79/77/230227977.db2.gz	GPGIDCSZHINXEP-GFCCVEGCSA-N	0	3	303.366	2.538	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1	ZINC000055339879	425893275	/nfs/dbraw/zinc/89/32/75/425893275.db2.gz	VFWHCWKHFUMXAO-GOSISDBHSA-N	0	3	322.412	2.853	20	30		DFEDHN
CCC[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000068501212	425918462	/nfs/dbraw/zinc/91/84/62/425918462.db2.gz	OYVFMRXMBDDTJR-OAHLLOKOSA-N	0	3	301.434	2.885	20	30		DFEDHN
Cc1cc(CN2CC3(CCOCC3)CC[C@@H]2CO)ccc1C#N	ZINC000528635634	269912915	/nfs/dbraw/zinc/91/29/15/269912915.db2.gz	ASUMDFZWNJTPPG-GOSISDBHSA-N	0	3	314.429	2.620	20	30		DFEDHN
COc1cc(OC)cc(OCCNCc2cccc(C#N)c2)c1	ZINC000124505039	425923490	/nfs/dbraw/zinc/92/34/90/425923490.db2.gz	CCAVFCZURUUBKM-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
Cc1ncccc1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000348935436	269998888	/nfs/dbraw/zinc/99/88/88/269998888.db2.gz	PQZOURQUPONUSR-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
N#Cc1csc(CN2CCC(CCN3CCOCC3)CC2)c1	ZINC000352873653	269999463	/nfs/dbraw/zinc/99/94/63/269999463.db2.gz	YLBITKGIYBSSOH-UHFFFAOYSA-N	0	3	319.474	2.554	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCc1cccnc1-n1cccn1)CC2	ZINC000353272222	269999505	/nfs/dbraw/zinc/99/95/05/269999505.db2.gz	AQBHTBUBJBIGKE-SFHVURJKSA-N	0	3	315.380	2.916	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NCCN2CCC(C)CC2)c1	ZINC000456008617	270001796	/nfs/dbraw/zinc/00/17/96/270001796.db2.gz	SLLTYRAJCSNJSS-UHFFFAOYSA-N	0	3	300.406	2.720	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)F)nc1)c1ccccn1	ZINC000156027223	425932617	/nfs/dbraw/zinc/93/26/17/425932617.db2.gz	ZZFCOXONEZHSMN-NSHDSACASA-N	0	3	303.268	2.611	20	30		DFEDHN
C=CCc1cc(CN2CCN(CCC)CC2)cc(OC)c1O	ZINC000156962131	425937283	/nfs/dbraw/zinc/93/72/83/425937283.db2.gz	FLYKGWYCGMGYPN-UHFFFAOYSA-N	0	3	304.434	2.657	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1cc(C#N)ccn1	ZINC000346025929	265834858	/nfs/dbraw/zinc/83/48/58/265834858.db2.gz	XENAZAFUJYCKIK-UHFFFAOYSA-N	0	3	314.433	2.680	20	30		DFEDHN
CCN(CC)[C@H](CNc1ccnc(C#N)c1)c1ccsc1	ZINC000341525074	266120416	/nfs/dbraw/zinc/12/04/16/266120416.db2.gz	AUXOXQUBRVROOW-MRXNPFEDSA-N	0	3	300.431	2.932	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1	ZINC000352696247	266150449	/nfs/dbraw/zinc/15/04/49/266150449.db2.gz	IURSGFKILQACNV-LBPRGKRZSA-N	0	3	309.360	2.686	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360349344	266157835	/nfs/dbraw/zinc/15/78/35/266157835.db2.gz	ZCAOMIRHDLNYCK-OLMNPRSZSA-N	0	3	311.429	2.747	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1ccc(C#N)s1)N1CCCCC1	ZINC000421911101	266951682	/nfs/dbraw/zinc/95/16/82/266951682.db2.gz	GXVMPTIPTCSOEL-OAHLLOKOSA-N	0	3	305.447	2.746	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cnccc2C#N)C1	ZINC000345176837	267003464	/nfs/dbraw/zinc/00/34/64/267003464.db2.gz	WFLSQPTXNRLUOS-WMLDXEAASA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000342357582	267016157	/nfs/dbraw/zinc/01/61/57/267016157.db2.gz	GFUZANYIEBPCPG-QAPCUYQASA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000346629762	267021171	/nfs/dbraw/zinc/02/11/71/267021171.db2.gz	WLVMWHFUTLWQRO-CYBMUJFWSA-N	0	3	317.437	2.673	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000345649141	267026517	/nfs/dbraw/zinc/02/65/17/267026517.db2.gz	BMHKRMINWNHRFM-HUUCEWRRSA-N	0	3	311.429	2.922	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCS1	ZINC000171695130	267048762	/nfs/dbraw/zinc/04/87/62/267048762.db2.gz	DOQCHWOHZMUURQ-LLVKDONJSA-N	0	3	323.849	2.978	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2ccc(Br)cc2C#N)CCN1C	ZINC000347005431	267103170	/nfs/dbraw/zinc/10/31/70/267103170.db2.gz	ABEQUJBARIJXRR-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCCN1C	ZINC000344919894	267105017	/nfs/dbraw/zinc/10/50/17/267105017.db2.gz	PHTORDHMFZGBMU-YGRLFVJLSA-N	0	3	306.797	2.816	20	30		DFEDHN
C[C@H](CC(F)(F)F)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348438983	267147863	/nfs/dbraw/zinc/14/78/63/267147863.db2.gz	FZGTZTBCSFUSNG-ZWNOBZJWSA-N	0	3	309.291	2.698	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@H]1SC	ZINC000459561381	267150702	/nfs/dbraw/zinc/15/07/02/267150702.db2.gz	LLUKFVFVNYXNHM-FVQBIDKESA-N	0	3	306.431	2.565	20	30		DFEDHN
C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC[C@H]1C	ZINC000343065801	267159522	/nfs/dbraw/zinc/15/95/22/267159522.db2.gz	AETNIODTHJLADC-HZPDHXFCSA-N	0	3	313.445	2.870	20	30		DFEDHN
C[C@H](CNCc1nc(C#N)cs1)N(C)Cc1ccccc1	ZINC000352838455	267162208	/nfs/dbraw/zinc/16/22/08/267162208.db2.gz	FOGZMLZALCOEPG-CYBMUJFWSA-N	0	3	300.431	2.625	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN1C	ZINC000421098111	267165218	/nfs/dbraw/zinc/16/52/18/267165218.db2.gz	ZIGSITYMKUSWEF-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
C[C@H](Cn1cccn1)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352841409	267168454	/nfs/dbraw/zinc/16/84/54/267168454.db2.gz	QZHBGUKXQYUYGI-LLVKDONJSA-N	0	3	308.307	2.952	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccncc1F	ZINC000338200837	267177040	/nfs/dbraw/zinc/17/70/40/267177040.db2.gz	OSTIYICFSUOMIL-WFASDCNBSA-N	0	3	322.343	2.652	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC1(C)C	ZINC000419313664	267195017	/nfs/dbraw/zinc/19/50/17/267195017.db2.gz	GJUYUWJOFDUCOW-HZPDHXFCSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@@H](Nc1ccc(N2CCNCC2)cn1)c1ccc(C#N)cc1	ZINC000423232782	267197513	/nfs/dbraw/zinc/19/75/13/267197513.db2.gz	NGTAONZPEVTHBX-GOSISDBHSA-N	0	3	321.428	2.926	20	30		DFEDHN
CC[C@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccc(C#N)cc1	ZINC000447518502	267221281	/nfs/dbraw/zinc/22/12/81/267221281.db2.gz	WIFSKTFTHKDOSM-OALUTQOASA-N	0	3	315.461	2.956	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1sccc1C#N)c1ccc(F)cc1	ZINC000488916053	267282164	/nfs/dbraw/zinc/28/21/64/267282164.db2.gz	TYWFMDJIFZPMHP-CQSZACIVSA-N	0	3	317.389	2.792	20	30		DFEDHN
CN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCN(C2CC2)C1	ZINC000443512448	267327602	/nfs/dbraw/zinc/32/76/02/267327602.db2.gz	UIROJGFTIDJRNP-NSHDSACASA-N	0	3	310.323	2.645	20	30		DFEDHN
CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21	ZINC000528004432	267330711	/nfs/dbraw/zinc/33/07/11/267330711.db2.gz	RIFZKAQYVNPNGD-MOPGFXCFSA-N	0	3	317.392	2.962	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C#N)s1	ZINC000420846567	267333032	/nfs/dbraw/zinc/33/30/32/267333032.db2.gz	VEKXJVBWTYUIPI-CQSZACIVSA-N	0	3	320.462	2.539	20	30		DFEDHN
COC(=O)C1(CNCc2ccc(C#N)c(F)c2)CCCCC1	ZINC000421339115	267356592	/nfs/dbraw/zinc/35/65/92/267356592.db2.gz	FYJLYBMEDLBKMQ-UHFFFAOYSA-N	0	3	304.365	2.910	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)[C@H]1C(C)C	ZINC000430142720	267384035	/nfs/dbraw/zinc/38/40/35/267384035.db2.gz	CWNGZASCVHXURR-RDJZCZTQSA-N	0	3	316.401	2.586	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(C#N)o2)C[C@@H]1c1ccccc1	ZINC000449755271	267391326	/nfs/dbraw/zinc/39/13/26/267391326.db2.gz	NQOKZRWUOHTHLW-SJORKVTESA-N	0	3	310.353	2.540	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)c1	ZINC000030532677	267393998	/nfs/dbraw/zinc/39/39/98/267393998.db2.gz	QFPGKLMLFSCSJE-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)CCN1	ZINC000420188488	267888266	/nfs/dbraw/zinc/88/82/66/267888266.db2.gz	FFHHEMRFUBNHAB-QMMMGPOBSA-N	0	3	314.614	2.772	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000451272183	267925958	/nfs/dbraw/zinc/92/59/58/267925958.db2.gz	UMQRYNMKTNZNFC-KSSFIOAISA-N	0	3	324.428	2.924	20	30		DFEDHN
C[C@H](C1CC1)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1	ZINC000046060061	425863987	/nfs/dbraw/zinc/86/39/87/425863987.db2.gz	BCTRZHPPPKIRDU-CQSZACIVSA-N	0	3	303.450	2.934	20	30		DFEDHN
C=C(C)CN(CC)C[C@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000046342243	425865043	/nfs/dbraw/zinc/86/50/43/425865043.db2.gz	NWIFDQGYEYXHSK-INIZCTEOSA-N	0	3	321.417	2.536	20	30		DFEDHN
C=C(C)CN(CC)C[C@@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000046342245	425865119	/nfs/dbraw/zinc/86/51/19/425865119.db2.gz	NWIFDQGYEYXHSK-MRXNPFEDSA-N	0	3	321.417	2.536	20	30		DFEDHN
CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1	ZINC000046529366	425865785	/nfs/dbraw/zinc/86/57/85/425865785.db2.gz	XXWRWMZUFHPLCI-UHFFFAOYSA-N	0	3	318.380	2.891	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H]2CCN(C)[C@H]2C1	ZINC000450773647	268005049	/nfs/dbraw/zinc/00/50/49/268005049.db2.gz	BLYVBKTYKVVTGE-WBMJQRKESA-N	0	3	310.376	2.694	20	30		DFEDHN
Cc1ccc(C#N)c(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1	ZINC000425281137	268029214	/nfs/dbraw/zinc/02/92/14/268029214.db2.gz	YRBVUPSPBONOIJ-RBUKOAKNSA-N	0	3	318.424	2.972	20	30		DFEDHN
Cc1ccc(NC(=O)CCN(C)Cc2ccc(C#N)cc2)nc1	ZINC000446990652	268038357	/nfs/dbraw/zinc/03/83/57/268038357.db2.gz	LJZOATKCKGOJLL-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccc(CN(CCC(=O)N2CCCCC2)C2CC2)cc1	ZINC000346503617	268062521	/nfs/dbraw/zinc/06/25/21/268062521.db2.gz	PGFHSGCFBUVFNF-UHFFFAOYSA-N	0	3	311.429	2.925	20	30		DFEDHN
Cc1ccsc1[C@H](CO)NCCOc1ccccc1C#N	ZINC000494639395	268066848	/nfs/dbraw/zinc/06/68/48/268066848.db2.gz	YKLXIRYBCLRJOV-AWEZNQCLSA-N	0	3	302.399	2.630	20	30		DFEDHN
N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000344347293	268076686	/nfs/dbraw/zinc/07/66/86/268076686.db2.gz	SVPXNKIEEFNEIW-HUUCEWRRSA-N	0	3	322.380	2.947	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3sccc3C2)cc1	ZINC000348042823	268083850	/nfs/dbraw/zinc/08/38/50/268083850.db2.gz	ZVZHTZNJDOWKHN-INIZCTEOSA-N	0	3	321.405	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C3CC3)C2)cc1	ZINC000290734424	268088561	/nfs/dbraw/zinc/08/85/61/268088561.db2.gz	WUUDFCLDRQMEKZ-ZWKOTPCHSA-N	0	3	307.397	2.889	20	30		DFEDHN
Cn1ncc2c1CCCN(CCCOc1cccc(C#N)c1)C2	ZINC000411843619	268134249	/nfs/dbraw/zinc/13/42/49/268134249.db2.gz	LCNFIXBAUQLYQN-UHFFFAOYSA-N	0	3	310.401	2.509	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000048215419	425873494	/nfs/dbraw/zinc/87/34/94/425873494.db2.gz	LRAGKICLRHFEAN-SFHVURJKSA-N	0	3	322.412	2.660	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1ccccc1)CC2	ZINC000353256940	268223484	/nfs/dbraw/zinc/22/34/84/268223484.db2.gz	AOVJYOQEOLJHEX-GOSISDBHSA-N	0	3	305.381	2.565	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCCC[C@H]3OC(F)F)n2c1	ZINC000342845311	268225118	/nfs/dbraw/zinc/22/51/18/268225118.db2.gz	IKPFPPAFVDRCCP-UONOGXRCSA-N	0	3	320.343	2.846	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCN(C3CCC3)CC2)c1	ZINC000328668935	268262563	/nfs/dbraw/zinc/26/25/63/268262563.db2.gz	LSOPPOQKXLBQGT-UHFFFAOYSA-N	0	3	312.417	2.706	20	30		DFEDHN
N#Cc1cccc(/C=C\C(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000491560793	268267860	/nfs/dbraw/zinc/26/78/60/268267860.db2.gz	GWWCXEBBGAQJFY-JTHGQSKGSA-N	0	3	309.413	2.658	20	30		DFEDHN
COc1cc(CN[C@@H]2COc3ccc(F)cc3C2)ccc1C#N	ZINC000288689230	268279076	/nfs/dbraw/zinc/27/90/76/268279076.db2.gz	XSTDLNOSGQVDLB-INIZCTEOSA-N	0	3	312.344	2.799	20	30		DFEDHN
Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1F	ZINC000048711175	425877166	/nfs/dbraw/zinc/87/71/66/425877166.db2.gz	ZBMALTGJQKMQDA-UHFFFAOYSA-N	0	3	311.360	2.525	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccncc1	ZINC000528422745	268296255	/nfs/dbraw/zinc/29/62/55/268296255.db2.gz	FOTNIFBODXJPEE-ROUUACIJSA-N	0	3	323.396	2.530	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccncc1	ZINC000528422740	268300627	/nfs/dbraw/zinc/30/06/27/268300627.db2.gz	FOTNIFBODXJPEE-QZTJIDSGSA-N	0	3	323.396	2.530	20	30		DFEDHN
N#Cc1csc(CNCCCN2CCc3ccccc3C2)n1	ZINC000352836742	268320273	/nfs/dbraw/zinc/32/02/73/268320273.db2.gz	XFUBIDAGUZXETE-UHFFFAOYSA-N	0	3	312.442	2.553	20	30		DFEDHN
N#Cc1cscc1C(=O)N[C@H]1CCN(CC2CCCC2)C1	ZINC000341124696	268321272	/nfs/dbraw/zinc/32/12/72/268321272.db2.gz	PPBJUDODITXZON-AWEZNQCLSA-N	0	3	303.431	2.614	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000309889710	268336793	/nfs/dbraw/zinc/33/67/93/268336793.db2.gz	MBNDGSSCILDUBQ-STQMWFEESA-N	0	3	303.406	2.950	20	30		DFEDHN
CCC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCC1	ZINC000324809949	268350854	/nfs/dbraw/zinc/35/08/54/268350854.db2.gz	SAYVDCVHEQOITQ-KRWDZBQOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2cccc(F)c2)CC1	ZINC000071953299	426006260	/nfs/dbraw/zinc/00/62/60/426006260.db2.gz	SNPMDJWJKPTXFS-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2cnc(C#N)cn2)CC1	ZINC000124856022	425942487	/nfs/dbraw/zinc/94/24/87/425942487.db2.gz	JNNDYNKXSDZWLT-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCSCC2)cc1Cl	ZINC000103467908	425948630	/nfs/dbraw/zinc/94/86/30/425948630.db2.gz	CTSWSXNDNZKOJR-UHFFFAOYSA-N	0	3	309.822	2.589	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000158961942	425951178	/nfs/dbraw/zinc/95/11/78/425951178.db2.gz	JZQLEHCCSQLYRG-ZBFHGGJFSA-N	0	3	302.418	2.710	20	30		DFEDHN
CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccn1	ZINC000125327158	425965396	/nfs/dbraw/zinc/96/53/96/425965396.db2.gz	DAPCKNPPLVCFQU-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2ccccc2OC)CC1	ZINC000106040430	425970442	/nfs/dbraw/zinc/97/04/42/425970442.db2.gz	MKKIYOCZUBTKNY-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1	ZINC000125520291	425975823	/nfs/dbraw/zinc/97/58/23/425975823.db2.gz	YKLMYCNGHPYWFD-NHYWBVRUSA-N	0	3	304.369	2.548	20	30		DFEDHN
Cc1oc(NC(=O)CN(C(C)C)C2CCOCC2)c(C#N)c1C	ZINC000125509980	425976361	/nfs/dbraw/zinc/97/63/61/425976361.db2.gz	QMQBREKIZPLEEF-UHFFFAOYSA-N	0	3	319.405	2.596	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(N(C)C)cc2F)CC1	ZINC000126876084	426041323	/nfs/dbraw/zinc/04/13/23/426041323.db2.gz	WRYWRQQXVORXSQ-UHFFFAOYSA-N	0	3	319.424	2.662	20	30		DFEDHN
N#Cc1ccc(OCCN(CCO)[C@H]2CCc3ccccc32)cc1	ZINC000074311502	426045561	/nfs/dbraw/zinc/04/55/61/426045561.db2.gz	OGLJFCVCCHNNSX-FQEVSTJZSA-N	0	3	322.408	2.919	20	30		DFEDHN
CC[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1CCOC	ZINC000161936806	426046296	/nfs/dbraw/zinc/04/62/96/426046296.db2.gz	WFTKHFXCCCWHNO-QGZVFWFLSA-N	0	3	324.428	2.653	20	30		DFEDHN
CC(C)(C)[S@](=O)CCNC1CC(C#N)(c2ccccc2)C1	ZINC000127037284	426048796	/nfs/dbraw/zinc/04/87/96/426048796.db2.gz	QQKSDLXWDVNGGV-GRXDXKALSA-N	0	3	304.459	2.747	20	30		DFEDHN
CC(C)(C)[S@@](=O)CCNC1CC(C#N)(c2ccccc2)C1	ZINC000127037046	426049072	/nfs/dbraw/zinc/04/90/72/426049072.db2.gz	QQKSDLXWDVNGGV-AEJJIKPWSA-N	0	3	304.459	2.747	20	30		DFEDHN
C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1	ZINC000163093705	426088582	/nfs/dbraw/zinc/08/85/82/426088582.db2.gz	BXSGPKOTRYSMKP-CYBMUJFWSA-N	0	3	306.431	2.500	20	30		DFEDHN
CC1(C)CCCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163155459	426091847	/nfs/dbraw/zinc/09/18/47/426091847.db2.gz	TVCBYJNZQRIDKA-MRXNPFEDSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1cccc(OCCN2CCN(C3CCCCC3)CC2)c1	ZINC000163272891	426094833	/nfs/dbraw/zinc/09/48/33/426094833.db2.gz	ZVQUPLUFYXORRA-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000163698004	426107262	/nfs/dbraw/zinc/10/72/62/426107262.db2.gz	VFZMTODVUUVNGY-KRWDZBQOSA-N	0	3	301.434	2.959	20	30		DFEDHN
CC(C)(CCC#N)CN1CCC[C@H]1C(=O)NCc1ccco1	ZINC000128275644	426110304	/nfs/dbraw/zinc/11/03/04/426110304.db2.gz	LFUGZYLUJCWTGZ-HNNXBMFYSA-N	0	3	303.406	2.690	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000128302662	426111321	/nfs/dbraw/zinc/11/13/21/426111321.db2.gz	NVJCNGXXWRAZNS-MRXNPFEDSA-N	0	3	301.434	2.610	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)Nc1cccc(C#N)c1	ZINC000113364751	426112814	/nfs/dbraw/zinc/11/28/14/426112814.db2.gz	IWJQOLRTWCBRSD-INIZCTEOSA-N	0	3	300.406	2.944	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1	ZINC000076668159	426116408	/nfs/dbraw/zinc/11/64/08/426116408.db2.gz	DCXPOJLWZOOUOI-SFHVURJKSA-N	0	3	301.434	2.812	20	30		DFEDHN
C=CCCCN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000076733705	426116623	/nfs/dbraw/zinc/11/66/23/426116623.db2.gz	SREUNIQFSIDOIG-QGZVFWFLSA-N	0	3	320.408	2.624	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCc2ccccn2)CC1	ZINC000076969613	426119274	/nfs/dbraw/zinc/11/92/74/426119274.db2.gz	HZPHWRSEVOHKHU-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(N)cc1)C(C)C	ZINC000165198194	426120616	/nfs/dbraw/zinc/12/06/16/426120616.db2.gz	BCGFEJZNJHMRSY-KRWDZBQOSA-N	0	3	301.434	2.697	20	30		DFEDHN
N#CC(C(=O)c1cccc2c1OCO2)c1nc2ccccc2[nH]1	ZINC000077429529	426133395	/nfs/dbraw/zinc/13/33/95/426133395.db2.gz	GWZDAXWGVFQHBG-NSHDSACASA-N	0	3	305.293	2.782	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(C2CCOCC2)CC1	ZINC000129758873	426139908	/nfs/dbraw/zinc/13/99/08/426139908.db2.gz	QSAYNUYIDFHWBB-UHFFFAOYSA-N	0	3	316.445	2.548	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1	ZINC000115254439	426158571	/nfs/dbraw/zinc/15/85/71/426158571.db2.gz	KVFDMLJORQHTCU-UHFFFAOYSA-N	0	3	311.429	2.895	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000131486488	426165077	/nfs/dbraw/zinc/16/50/77/426165077.db2.gz	WOPCGWAVPQHTTK-GJZGRUSLSA-N	0	3	302.418	2.510	20	30		DFEDHN
COCCCCON=C(N)c1cccc(CN2CCCCC2)c1	ZINC000131619112	426166400	/nfs/dbraw/zinc/16/64/00/426166400.db2.gz	VMOMYAGTWMSICJ-UHFFFAOYSA-N	0	3	319.449	2.736	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H]2CCCN(CCC(C)(C)C#N)C2)nc1	ZINC000131885681	426166957	/nfs/dbraw/zinc/16/69/57/426166957.db2.gz	LDIVPBWWKGAYJJ-HNNXBMFYSA-N	0	3	314.433	2.980	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](N(C)C)C1	ZINC000171081214	426168701	/nfs/dbraw/zinc/16/87/01/426168701.db2.gz	GCSYTNHCTXBHRX-AWEZNQCLSA-N	0	3	316.405	2.513	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1	ZINC000171084548	426169036	/nfs/dbraw/zinc/16/90/36/426169036.db2.gz	MOKLHTQXRBSCCE-HNNXBMFYSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)CC1CCCCC1	ZINC000078652327	426179328	/nfs/dbraw/zinc/17/93/28/426179328.db2.gz	SYYMXXHEYBOOHO-IYBDPMFKSA-N	0	3	308.466	2.691	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccccc2)C(C)(C)C1	ZINC000134257557	426185583	/nfs/dbraw/zinc/18/55/83/426185583.db2.gz	FNDVGOLNYUDCKR-DOTOQJQBSA-N	0	3	313.445	2.873	20	30		DFEDHN
CS[C@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000134593115	426188788	/nfs/dbraw/zinc/18/87/88/426188788.db2.gz	BHPYFAAXAQNSOV-GJZGRUSLSA-N	0	3	323.506	2.935	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)CN1Cc1ccccc1	ZINC000134874166	426198148	/nfs/dbraw/zinc/19/81/48/426198148.db2.gz	IFXZUJDJZDZQIK-DNVCBOLYSA-N	0	3	319.408	2.951	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000081032014	426218382	/nfs/dbraw/zinc/21/83/82/426218382.db2.gz	ASWCHPIZNRPXRY-INIZCTEOSA-N	0	3	320.396	2.522	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@H](C)[C@H]2C)CC1	ZINC000118481717	426237634	/nfs/dbraw/zinc/23/76/34/426237634.db2.gz	FPFVHZNFJXXHFO-ZIAGYGMSSA-N	0	3	311.495	2.562	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)C[C@H]2CCCN(C)C2)c1C	ZINC000118843656	426248044	/nfs/dbraw/zinc/24/80/44/426248044.db2.gz	DQOIOFSLXJTOJB-KRWDZBQOSA-N	0	3	317.477	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3c(cccc3F)[nH]2)CC1	ZINC000171720313	426206944	/nfs/dbraw/zinc/20/69/44/426206944.db2.gz	FCTSGXNBJNLMCJ-UHFFFAOYSA-N	0	3	301.365	2.687	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1	ZINC000079949059	426207920	/nfs/dbraw/zinc/20/79/20/426207920.db2.gz	WCWQKJITVYPLSK-FUHWJXTLSA-N	0	3	313.445	2.702	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000135152508	426207973	/nfs/dbraw/zinc/20/79/73/426207973.db2.gz	FIXBSZCJSHSQIM-INIZCTEOSA-N	0	3	313.445	2.836	20	30		DFEDHN
N#CCSCCCN1CCC(NC(=O)C2CCCCC2)CC1	ZINC000080722993	426215525	/nfs/dbraw/zinc/21/55/25/426215525.db2.gz	SAWHVJBMKWIRDI-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C(C)=O)c(C)c2)CC1	ZINC000089445338	426290940	/nfs/dbraw/zinc/29/09/40/426290940.db2.gz	VWBQEVHNXBZNOF-UHFFFAOYSA-N	0	3	315.417	2.970	20	30		DFEDHN
C=CCCS(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000120667125	426313640	/nfs/dbraw/zinc/31/36/40/426313640.db2.gz	RZCNYUFKDIXTQO-HNNXBMFYSA-N	0	3	322.474	2.708	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)c1	ZINC000120706455	426314168	/nfs/dbraw/zinc/31/41/68/426314168.db2.gz	ZYWJGZWWLUGUSH-SJLPKXTDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@H]2CCCN2CC(C)C)s1	ZINC000120878010	426316112	/nfs/dbraw/zinc/31/61/12/426316112.db2.gz	NIVBTCNJQOVITF-CYBMUJFWSA-N	0	3	322.478	2.591	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccccn1	ZINC000175674043	426320410	/nfs/dbraw/zinc/32/04/10/426320410.db2.gz	CFKAYHLCQRBBFP-LLVKDONJSA-N	0	3	300.387	2.694	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000175747881	426325508	/nfs/dbraw/zinc/32/55/08/426325508.db2.gz	BTSMGJOVQVTBDI-HNNXBMFYSA-N	0	3	300.406	2.672	20	30		DFEDHN
C=CCOc1ccc(CN[C@@](C)(CCO)COC)cc1Cl	ZINC000175853739	426334539	/nfs/dbraw/zinc/33/45/39/426334539.db2.gz	SXBLSIRRDRCNKF-INIZCTEOSA-N	0	3	313.825	2.782	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)c1	ZINC000152495277	426344770	/nfs/dbraw/zinc/34/47/70/426344770.db2.gz	TVDWHCFNKXMFAK-SFHVURJKSA-N	0	3	311.429	2.829	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000176005018	426345062	/nfs/dbraw/zinc/34/50/62/426345062.db2.gz	FARKBFHERIMFGU-DZGCQCFKSA-N	0	3	317.458	2.857	20	30		DFEDHN
C[C@H](NCc1cc(C#N)cs1)c1ccc(NC(N)=O)cc1	ZINC000093492650	426356132	/nfs/dbraw/zinc/35/61/32/426356132.db2.gz	NOLZXEALGDYYIB-JTQLQIEISA-N	0	3	300.387	2.961	20	30		DFEDHN
CCOC(=O)[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000122107896	426358924	/nfs/dbraw/zinc/35/89/24/426358924.db2.gz	PZMRMZSLYUJTAP-INIZCTEOSA-N	0	3	316.401	2.602	20	30		DFEDHN
C#CCSCCNCc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000152941628	426362444	/nfs/dbraw/zinc/36/24/44/426362444.db2.gz	UHODMNNEAMTCSB-UHFFFAOYSA-N	0	3	316.329	2.652	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[C@@H](N)c1ccccc1	ZINC000152968779	426363770	/nfs/dbraw/zinc/36/37/70/426363770.db2.gz	DBOOPLXCWROBRP-WCQYABFASA-N	0	3	300.324	2.899	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(F)c(OC)c2)CC1	ZINC000152977439	426363892	/nfs/dbraw/zinc/36/38/92/426363892.db2.gz	QJZVBGIRSHRRLP-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000122348721	426370504	/nfs/dbraw/zinc/37/05/04/426370504.db2.gz	JKGDBFMVRAICTC-UHFFFAOYSA-N	0	3	321.764	2.532	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000123040300	426410330	/nfs/dbraw/zinc/41/03/30/426410330.db2.gz	RUCHCUYBVWFXKR-HUUCEWRRSA-N	0	3	302.418	2.806	20	30		DFEDHN
C#CCSCCNCc1cc(OC)c(OC)cc1SC	ZINC000153795374	426407129	/nfs/dbraw/zinc/40/71/29/426407129.db2.gz	INQHUEIMWLZAOM-UHFFFAOYSA-N	0	3	311.472	2.882	20	30		DFEDHN
C[C@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000154791111	426455050	/nfs/dbraw/zinc/45/50/50/426455050.db2.gz	BSCWGWKTNRKUFR-ZDUSSCGKSA-N	0	3	324.346	2.657	20	30		DFEDHN
C#CCCCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000154941626	426459772	/nfs/dbraw/zinc/45/97/72/426459772.db2.gz	GBIBDFYIPXNJGO-UHFFFAOYSA-N	0	3	319.424	2.702	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CCN1C	ZINC000177924032	426539912	/nfs/dbraw/zinc/53/99/12/426539912.db2.gz	PBBHOBZKUFDORR-BXUZGUMPSA-N	0	3	304.369	2.644	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCNc2ccccc2C)CC1	ZINC000264447686	426555261	/nfs/dbraw/zinc/55/52/61/426555261.db2.gz	BWJDDNHBUZCRDH-UHFFFAOYSA-N	0	3	301.434	2.564	20	30		DFEDHN
Cn1cc(CN2CCCSCC2)c(-c2ccc(C#N)cc2)n1	ZINC000272529348	426549780	/nfs/dbraw/zinc/54/97/80/426549780.db2.gz	AKBDCSTZFAFSPN-UHFFFAOYSA-N	0	3	312.442	2.898	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@H](COc3ccccc3)C2)cc1	ZINC000272541389	426553749	/nfs/dbraw/zinc/55/37/49/426553749.db2.gz	JPTROYXOFHQSCR-PXNSSMCTSA-N	0	3	322.408	2.993	20	30		DFEDHN
CCOC(=O)N[C@H](CNCc1ccc(C#N)s1)CC(C)C	ZINC000177566431	426495483	/nfs/dbraw/zinc/49/54/83/426495483.db2.gz	NCYKVOWMKDCTJM-LBPRGKRZSA-N	0	3	309.435	2.870	20	30		DFEDHN
N#Cc1csc(CNCCN2CCc3sccc3C2)c1	ZINC000177689334	426505905	/nfs/dbraw/zinc/50/59/05/426505905.db2.gz	QDGONWBNOAIUQX-UHFFFAOYSA-N	0	3	303.456	2.829	20	30		DFEDHN
CN(C)c1ccccc1CN(C)C[C@H](O)c1ccc(C#N)cc1	ZINC000289092838	426582209	/nfs/dbraw/zinc/58/22/09/426582209.db2.gz	UQHFRNROACMXJJ-IBGZPJMESA-N	0	3	309.413	2.790	20	30		DFEDHN
C=C(C)CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000280520588	426592265	/nfs/dbraw/zinc/59/22/65/426592265.db2.gz	FRFCXIZQGUXKGC-RDJZCZTQSA-N	0	3	322.474	2.535	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)NCCC(=O)N(C)C)cc1	ZINC000178296872	426601809	/nfs/dbraw/zinc/60/18/09/426601809.db2.gz	HRNDWFVNNBVZJG-CYBMUJFWSA-N	0	3	310.825	2.947	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000187256213	426642462	/nfs/dbraw/zinc/64/24/62/426642462.db2.gz	FYTFZTAGKBYSRR-UXLLHSPISA-N	0	3	304.434	2.775	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1c(OC)cc(OC)cc1OC	ZINC000280727711	426643049	/nfs/dbraw/zinc/64/30/49/426643049.db2.gz	VLQHBKDNYWAPDN-UGSOOPFHSA-N	0	3	321.417	2.783	20	30		DFEDHN
C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(OCC#N)cc1	ZINC000280929859	426687608	/nfs/dbraw/zinc/68/76/08/426687608.db2.gz	FIGVALNALMNODL-LRTDBIEQSA-N	0	3	306.431	2.541	20	30		DFEDHN
Cc1cccc(C)c1CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000265630540	426664353	/nfs/dbraw/zinc/66/43/53/426664353.db2.gz	FHRRDZJSGBNLDH-UHFFFAOYSA-N	0	3	306.413	2.892	20	30		DFEDHN
CC(C)(CNC(=O)c1cccc(F)c1C#N)N1CCCCC1	ZINC000187468576	426666128	/nfs/dbraw/zinc/66/61/28/426666128.db2.gz	PIPOXRKFACIBQC-UHFFFAOYSA-N	0	3	303.381	2.692	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)CC1CCN(C)CC1	ZINC000273263213	426630002	/nfs/dbraw/zinc/63/00/02/426630002.db2.gz	UANCUNNQGUCNBB-UHFFFAOYSA-N	0	3	300.446	2.976	20	30		DFEDHN
C=CCc1cc(CNC[C@@H](O)c2ccc(C)o2)cc(OC)c1O	ZINC000265943302	426715291	/nfs/dbraw/zinc/71/52/91/426715291.db2.gz	GFOJEQCRJJDEJK-OAHLLOKOSA-N	0	3	317.385	2.854	20	30		DFEDHN
COc1cc(CNCCOc2ncccc2Cl)ccc1C#N	ZINC000281816332	426771007	/nfs/dbraw/zinc/77/10/07/426771007.db2.gz	WMESJFQVZUBJAO-UHFFFAOYSA-N	0	3	317.776	2.784	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)c1	ZINC000245814227	426774210	/nfs/dbraw/zinc/77/42/10/426774210.db2.gz	ZYWJGZWWLUGUSH-WMZOPIPTSA-N	0	3	318.461	2.528	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)oc2C(F)(F)F)CC1	ZINC000274486653	426777494	/nfs/dbraw/zinc/77/74/94/426777494.db2.gz	DMFYFWXMTIAJQH-UHFFFAOYSA-N	0	3	316.323	2.987	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCC(C)CC1	ZINC000188695065	426779149	/nfs/dbraw/zinc/77/91/49/426779149.db2.gz	RVCJVNBTDJHVEL-ZDUSSCGKSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@H](CSc3ccccc3)C2)C1=O	ZINC000281893942	426785615	/nfs/dbraw/zinc/78/56/15/426785615.db2.gz	FBGOARLPZYJYGM-RDJZCZTQSA-N	0	3	316.470	2.888	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1F	ZINC000290292924	426735246	/nfs/dbraw/zinc/73/52/46/426735246.db2.gz	YCKZHBHWPHXGLN-HNNXBMFYSA-N	0	3	316.380	2.789	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)cc(OC)c1O	ZINC000188295630	426741309	/nfs/dbraw/zinc/74/13/09/426741309.db2.gz	AAVFEKFVVVZVBP-DYVFJYSZSA-N	0	3	305.418	2.986	20	30		DFEDHN
COc1cc(CNC[C@@H]2COC3(CCCCC3)O2)ccc1C#N	ZINC000281768024	426761566	/nfs/dbraw/zinc/76/15/66/426761566.db2.gz	SESLOHLCBBWTME-MRXNPFEDSA-N	0	3	316.401	2.732	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H](c2ncccc2C)C1	ZINC000281774880	426763792	/nfs/dbraw/zinc/76/37/92/426763792.db2.gz	WZAJJTSBXUCEPK-JKSUJKDBSA-N	0	3	322.474	2.607	20	30		DFEDHN
COc1cc(CNC[C@@](C)(O)c2ccsc2)ccc1C#N	ZINC000281783746	426764858	/nfs/dbraw/zinc/76/48/58/426764858.db2.gz	TYVNFLNPKVXRAN-MRXNPFEDSA-N	0	3	302.399	2.626	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccccc2)[C@@H]1C	ZINC000266948857	426803136	/nfs/dbraw/zinc/80/31/36/426803136.db2.gz	SQGNQVTXQJFFHU-JZXOWHBKSA-N	0	3	313.445	2.700	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CC[C@@H](N2CC=CC2)C1	ZINC000290807661	426842901	/nfs/dbraw/zinc/84/29/01/426842901.db2.gz	QSPMYINFHSJBGE-GFCCVEGCSA-N	0	3	318.218	2.771	20	30		DFEDHN
CCS[C@@H]1CCCCN(CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000246587289	426846946	/nfs/dbraw/zinc/84/69/46/426846946.db2.gz	IMOPDSPDWJQZRI-HUUCEWRRSA-N	0	3	311.495	2.602	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000268117783	426916726	/nfs/dbraw/zinc/91/67/26/426916726.db2.gz	FFUNQCYOPHNBQH-CRAIPNDOSA-N	0	3	313.445	2.867	20	30		DFEDHN
Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000247220953	426918314	/nfs/dbraw/zinc/91/83/14/426918314.db2.gz	XSLKQOAWDYDREE-GVDBMIGSSA-N	0	3	313.445	2.933	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1	ZINC000275096582	426859459	/nfs/dbraw/zinc/85/94/59/426859459.db2.gz	VSZKKOVHNHQITB-SFHVURJKSA-N	0	3	322.412	2.527	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H]2CN2CCCC2)c1C#N	ZINC000275043278	426859557	/nfs/dbraw/zinc/85/95/57/426859557.db2.gz	MYAYDQYXIQYGFX-ZDUSSCGKSA-N	0	3	304.825	2.980	20	30		DFEDHN
C=CCOc1cccc(CN2CCS[C@@H]3COCC[C@@H]32)c1	ZINC000180454585	426860755	/nfs/dbraw/zinc/86/07/55/426860755.db2.gz	BRZWYWCIZAIHFM-DLBZAZTESA-N	0	3	305.443	2.958	20	30		DFEDHN
C=C(C)COc1cc(CN[C@](C)(CCO)COC)ccc1OC	ZINC000267343516	426876813	/nfs/dbraw/zinc/87/68/13/426876813.db2.gz	KLLCJWUAPAHEMZ-GOSISDBHSA-N	0	3	323.433	2.527	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000267387486	426879278	/nfs/dbraw/zinc/87/92/78/426879278.db2.gz	MSTZXFPECFYDBE-UHFFFAOYSA-N	0	3	317.396	2.537	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1cccc(F)c1C#N	ZINC000189527494	426881656	/nfs/dbraw/zinc/88/16/56/426881656.db2.gz	RTOAMULOZBWJSS-ZDUSSCGKSA-N	0	3	303.381	2.692	20	30		DFEDHN
C=CCCOCCNC(=O)Nc1ccccc1CCN(C)C	ZINC000275638807	426884597	/nfs/dbraw/zinc/88/45/97/426884597.db2.gz	LPJVQFNLGIABPR-UHFFFAOYSA-N	0	3	305.422	2.505	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1	ZINC000275662546	426889693	/nfs/dbraw/zinc/88/96/93/426889693.db2.gz	VWEMVSWYNCLBCN-UHFFFAOYSA-N	0	3	307.325	2.713	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H]1CCC[C@H]1c1ccccc1)C1CC1	ZINC000275682258	426896817	/nfs/dbraw/zinc/89/68/17/426896817.db2.gz	ZHAUHHHWLJHWSQ-JENIJYKNSA-N	0	3	311.429	2.721	20	30		DFEDHN
C=CCC[C@@H](C(=O)N1CCO[C@@H](CN(C)C)C1)c1ccccc1	ZINC000189640680	426911523	/nfs/dbraw/zinc/91/15/23/426911523.db2.gz	JELYQWKWSKPJBZ-ZWKOTPCHSA-N	0	3	316.445	2.525	20	30		DFEDHN
C[C@H](NCc1cccnc1-n1ccnc1)c1ccc(C#N)cc1	ZINC000181475440	426950373	/nfs/dbraw/zinc/95/03/73/426950373.db2.gz	ZYFUVRQKBRSTAY-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
COCC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C	ZINC000337837242	426994003	/nfs/dbraw/zinc/99/40/03/426994003.db2.gz	CTHPDTHYXZAZFE-CZUORRHYSA-N	0	3	317.433	2.926	20	30		DFEDHN
CCc1nnc(N2CC[C@H](N3CCCCC3)C2)c(C#N)c1CC	ZINC000268250603	426964181	/nfs/dbraw/zinc/96/41/81/426964181.db2.gz	ZGTYIMSXZBMKMO-AWEZNQCLSA-N	0	3	313.449	2.538	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(OC)ccc1Br	ZINC000320250171	426966231	/nfs/dbraw/zinc/96/62/31/426966231.db2.gz	IBKCZBNZCGMSAS-GFCCVEGCSA-N	0	3	314.223	2.874	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1C#N	ZINC000268283618	426974928	/nfs/dbraw/zinc/97/49/28/426974928.db2.gz	BVZCTZPZXCONII-UHFFFAOYSA-N	0	3	314.345	2.628	20	30		DFEDHN
CC(C)N1CC[C@H](Nc2ncc(Br)cc2C#N)C1	ZINC000295480806	426978366	/nfs/dbraw/zinc/97/83/66/426978366.db2.gz	JFNHHWQMYBNXNK-LBPRGKRZSA-N	0	3	309.211	2.610	20	30		DFEDHN
Cc1ccnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000268297967	426980751	/nfs/dbraw/zinc/98/07/51/426980751.db2.gz	GIYWRBUESNMSKK-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000276123266	426991961	/nfs/dbraw/zinc/99/19/61/426991961.db2.gz	HDSURABEYZMTDT-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@](CO)(c2ccccc2)C1	ZINC000291626498	426932373	/nfs/dbraw/zinc/93/23/73/426932373.db2.gz	CZUXJDICKSJAKR-HXUWFJFHSA-N	0	3	322.408	2.703	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1	ZINC000283035806	426937641	/nfs/dbraw/zinc/93/76/41/426937641.db2.gz	QUMVZUOPAVSUSR-GOSISDBHSA-N	0	3	320.396	2.954	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1	ZINC000329178115	427057445	/nfs/dbraw/zinc/05/74/45/427057445.db2.gz	CNYOFSFOVGJSPN-BBRMVZONSA-N	0	3	304.390	2.657	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268579994	427057900	/nfs/dbraw/zinc/05/79/00/427057900.db2.gz	QJOHSJZBUCLROI-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
O=C(NCC1(CO)CC2(CCC2)C1)C1CCN(C2CC2)CC1	ZINC000328792558	426998703	/nfs/dbraw/zinc/99/87/03/426998703.db2.gz	ZULRWAABUXQKIN-UHFFFAOYSA-N	0	3	306.450	2.760	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1CN1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000248452938	427005005	/nfs/dbraw/zinc/00/50/05/427005005.db2.gz	GQWMEUFMVVLMKD-OAGGEKHMSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000328865941	427008031	/nfs/dbraw/zinc/00/80/31/427008031.db2.gz	NNNCYXJUEUZGAY-RDBSUJKOSA-N	0	3	304.438	2.592	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	ZINC000328911589	427011823	/nfs/dbraw/zinc/01/18/23/427011823.db2.gz	GMKIRCABQBSBIF-LUYZLQTOSA-N	0	3	323.481	2.566	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1OCCCC#N	ZINC000190063926	427014250	/nfs/dbraw/zinc/01/42/50/427014250.db2.gz	PWYYZJIVZDUTGU-ZBFHGGJFSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337873493	427014737	/nfs/dbraw/zinc/01/47/37/427014737.db2.gz	WXQOTSKVEFEPKC-INIZCTEOSA-N	0	3	319.497	2.829	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000291907948	427023792	/nfs/dbraw/zinc/02/37/92/427023792.db2.gz	QIECHLIJALFUMP-AWEZNQCLSA-N	0	3	312.417	2.896	20	30		DFEDHN
C=CCS(=O)(=O)CCNC[C@H](C)c1cccc(Cl)c1	ZINC000276275440	427025837	/nfs/dbraw/zinc/02/58/37/427025837.db2.gz	RGXGEDJJQQGYRX-LBPRGKRZSA-N	0	3	301.839	2.634	20	30		DFEDHN
CC(C)O[C@H]1C[C@H](NCC(=O)Nc2sccc2C#N)C1(C)C	ZINC000296063940	427062479	/nfs/dbraw/zinc/06/24/79/427062479.db2.gz	GGMUKVOTSKNCNC-STQMWFEESA-N	0	3	321.446	2.740	20	30		DFEDHN
C#CCCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268530016	427046037	/nfs/dbraw/zinc/04/60/37/427046037.db2.gz	INKGSHFEISPFFL-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
Cc1nc(NCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000291997446	427050124	/nfs/dbraw/zinc/05/01/24/427050124.db2.gz	RBJXKUNPBKTZAF-KBPBESRZSA-N	0	3	302.422	2.563	20	30		DFEDHN
CN1CC=C(CNC(=O)c2ccnc(OC3CCC3)c2)CC1	ZINC000329224204	427068070	/nfs/dbraw/zinc/06/80/70/427068070.db2.gz	ZGZWEQFROIVJJL-UHFFFAOYSA-N	0	3	301.390	2.579	20	30		DFEDHN
CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1	ZINC000329230401	427070001	/nfs/dbraw/zinc/07/00/01/427070001.db2.gz	JZYXOLPOABTIKN-MRXNPFEDSA-N	0	3	321.465	2.608	20	30		DFEDHN
CCCC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCCN2CC)C1	ZINC000329234138	427070800	/nfs/dbraw/zinc/07/08/00/427070800.db2.gz	MNNVJDDZEXYUGH-HOTGVXAUSA-N	0	3	323.481	2.856	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)C1=CCN(C)CC1	ZINC000329281378	427082406	/nfs/dbraw/zinc/08/24/06/427082406.db2.gz	DYNMYHYBWBHJJQ-AEGPPILISA-N	0	3	322.453	2.625	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc(C#N)c1	ZINC000190428997	427106228	/nfs/dbraw/zinc/10/62/28/427106228.db2.gz	JTXIWGQVOKXTRM-IRXDYDNUSA-N	0	3	310.401	2.785	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)[C@]12CCCO2	ZINC000329444407	427115028	/nfs/dbraw/zinc/11/50/28/427115028.db2.gz	CDUDZENERZMIJU-LVNYTYFRSA-N	0	3	310.438	2.542	20	30		DFEDHN
CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccccc2C#N)C1	ZINC000190478208	427121158	/nfs/dbraw/zinc/12/11/58/427121158.db2.gz	FGMIYFQCISLLFE-SFHVURJKSA-N	0	3	320.440	2.907	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1	ZINC000329478980	427126591	/nfs/dbraw/zinc/12/65/91/427126591.db2.gz	CNZXPWODNCLXRR-ZIAGYGMSSA-N	0	3	319.453	2.547	20	30		DFEDHN
C[C@H](CO)N(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)O	ZINC000248921945	427063612	/nfs/dbraw/zinc/06/36/12/427063612.db2.gz	KYFVTZNJBTYZPU-CVEARBPZSA-N	0	3	324.424	2.789	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NCCN1CCCC[C@@H]1C)C2	ZINC000329509264	427130814	/nfs/dbraw/zinc/13/08/14/427130814.db2.gz	JPRFNAGGZRERRM-ZFWWWQNUSA-N	0	3	304.438	2.585	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1Cc1ccccc1	ZINC000249736448	427139385	/nfs/dbraw/zinc/13/93/85/427139385.db2.gz	WCWQKJITVYPLSK-WMZOPIPTSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000249757377	427144477	/nfs/dbraw/zinc/14/44/77/427144477.db2.gz	DSCLLSQDUOONSN-CABCVRRESA-N	0	3	314.433	2.995	20	30		DFEDHN
Cn1cc(CNC[C@@H](c2cccs2)N2CCCC2)cc1C#N	ZINC000190670456	427156992	/nfs/dbraw/zinc/15/69/92/427156992.db2.gz	SFWXOXGQCNKLCB-INIZCTEOSA-N	0	3	314.458	2.885	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(CC)C[C@H]1CCCO1	ZINC000250431705	427157065	/nfs/dbraw/zinc/15/70/65/427157065.db2.gz	IWNUJRRRSVOBFU-QZTJIDSGSA-N	0	3	319.445	2.656	20	30		DFEDHN
Cn1cc(CNC[C@@H](c2ccco2)N2CCCCC2)cc1C#N	ZINC000190680323	427160402	/nfs/dbraw/zinc/16/04/02/427160402.db2.gz	TZBBRWSHBCVPCR-KRWDZBQOSA-N	0	3	312.417	2.807	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-c3cc[nH]n3)s2)CC1	ZINC000277339386	427169534	/nfs/dbraw/zinc/16/95/34/427169534.db2.gz	VOJOITKFXYGVSE-UHFFFAOYSA-N	0	3	316.430	2.518	20	30		DFEDHN
C=CCC[C@H](NC(=O)NCCN(C)CCOC)c1ccccc1	ZINC000269332810	427171944	/nfs/dbraw/zinc/17/19/44/427171944.db2.gz	CMDCVGFOZZUNEL-KRWDZBQOSA-N	0	3	319.449	2.571	20	30		DFEDHN
Cn1cc(CNCCc2nc(C(C)(C)C)cs2)cc1C#N	ZINC000190968798	427218476	/nfs/dbraw/zinc/21/84/76/427218476.db2.gz	NOZWWLJLSILSJK-UHFFFAOYSA-N	0	3	302.447	2.983	20	30		DFEDHN
C[C@@H](COc1ccc(F)cc1F)NCc1cc(C#N)n(C)c1	ZINC000190862796	427191398	/nfs/dbraw/zinc/19/13/98/427191398.db2.gz	NLRXGMNVWROBNT-NSHDSACASA-N	0	3	305.328	2.732	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000277416590	427196123	/nfs/dbraw/zinc/19/61/23/427196123.db2.gz	MAPBWQHJBYBRTA-IBGZPJMESA-N	0	3	308.425	2.603	20	30		DFEDHN
Cc1cc([C@](C)(O)CNCc2ccc(C#N)cc2F)c(C)o1	ZINC000269443615	427196888	/nfs/dbraw/zinc/19/68/88/427196888.db2.gz	UECOKMZKMQVGRK-QGZVFWFLSA-N	0	3	302.349	2.905	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3sccc3C2)c(F)c1	ZINC000269446643	427197660	/nfs/dbraw/zinc/19/76/60/427197660.db2.gz	UYPHVPRKHWUQJC-UHFFFAOYSA-N	0	3	315.417	2.907	20	30		DFEDHN
C[C@H](O)CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C)CO	ZINC000190913642	427201007	/nfs/dbraw/zinc/20/10/07/427201007.db2.gz	KYFVTZNJBTYZPU-HOTGVXAUSA-N	0	3	324.424	2.789	20	30		DFEDHN
CN1CCC[C@@]2(CCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1	ZINC000292909287	427205081	/nfs/dbraw/zinc/20/50/81/427205081.db2.gz	XHGRQKSTLOHLRG-OAHLLOKOSA-N	0	3	324.350	2.894	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285288342	427212021	/nfs/dbraw/zinc/21/20/21/427212021.db2.gz	GECKNUJVHRUAHM-UHFFFAOYSA-N	0	3	317.820	2.982	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(C#N)ccc1F)N1[C@H](C)CC[C@H]1C	ZINC000253545217	427213218	/nfs/dbraw/zinc/21/32/18/427213218.db2.gz	IFYHIZWDZKIWJF-JHJVBQTASA-N	0	3	303.381	2.575	20	30		DFEDHN
CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1c(F)cccc1F	ZINC000191074653	427251340	/nfs/dbraw/zinc/25/13/40/427251340.db2.gz	HFSMFOJIQSVNON-INIZCTEOSA-N	0	3	318.371	2.567	20	30		DFEDHN
CCc1c(C(=O)NC[C@@H]2CCCN2CC)cnn1C(C)(C)C	ZINC000330518706	427255976	/nfs/dbraw/zinc/25/59/76/427255976.db2.gz	JPQMOUDAAAMXOZ-ZDUSSCGKSA-N	0	3	306.454	2.989	20	30		DFEDHN
Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C)CN(C)C	ZINC000330610135	427273089	/nfs/dbraw/zinc/27/30/89/427273089.db2.gz	TVXADUWZCIIHSX-JQWIXIFHSA-N	0	3	311.451	2.600	20	30		DFEDHN
COc1cc(C)ccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000330749009	427299771	/nfs/dbraw/zinc/29/97/71/427299771.db2.gz	AQCDMPNKOJVSGH-ZDUSSCGKSA-N	0	3	303.406	2.980	20	30		DFEDHN
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@H](C)C2)c(C)c1	ZINC000330774708	427301273	/nfs/dbraw/zinc/30/12/73/427301273.db2.gz	GWWHOHAOXXXKBO-OCCSQVGLSA-N	0	3	303.406	2.695	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1C	ZINC000330785542	427304316	/nfs/dbraw/zinc/30/43/16/427304316.db2.gz	LSNVHGFOLWSOBC-JSGCOSHPSA-N	0	3	319.453	3.139	20	30		DFEDHN
C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1Br	ZINC000331133865	427352566	/nfs/dbraw/zinc/35/25/66/427352566.db2.gz	CBLYLSAQRGHYET-CABCVRRESA-N	0	3	323.234	2.961	20	30		DFEDHN
C[C@@H]1C[C@H](NCc2cc(C#N)n(C)c2)CN1Cc1ccccc1	ZINC000191316093	427316361	/nfs/dbraw/zinc/31/63/61/427316361.db2.gz	ZAERIUIKLAXMFN-QAPCUYQASA-N	0	3	308.429	2.649	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)OCC	ZINC000270035816	427318223	/nfs/dbraw/zinc/31/82/23/427318223.db2.gz	FOWPQJJWPORPOY-SJORKVTESA-N	0	3	304.434	2.777	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330957420	427321389	/nfs/dbraw/zinc/32/13/89/427321389.db2.gz	IFDWFJFNKSDDEA-LLVKDONJSA-N	0	3	324.356	2.553	20	30		DFEDHN
CCC1(CC)[C@@H](NCC(=O)NC2(C#N)CCCCC2)C[C@@H]1OC	ZINC000191364736	427330123	/nfs/dbraw/zinc/33/01/23/427330123.db2.gz	WTFFMYOCXAYXBF-GJZGRUSLSA-N	0	3	321.465	2.512	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(N)=O)cc2F)CCN1C	ZINC000331040575	427331168	/nfs/dbraw/zinc/33/11/68/427331168.db2.gz	CGFNSUJLRNGODI-CMPLNLGQSA-N	0	3	322.384	2.669	20	30		DFEDHN
CC(C)[C@@H](CO)N(Cc1cc(C#N)n(C)c1)Cc1ccccc1	ZINC000191381422	427335579	/nfs/dbraw/zinc/33/55/79/427335579.db2.gz	ZXZGKGMXWODBGN-LJQANCHMSA-N	0	3	311.429	2.916	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)c2cn(CC(F)(F)F)nc2C)C1	ZINC000331059619	427336444	/nfs/dbraw/zinc/33/64/44/427336444.db2.gz	SNMPJPPTWGFZGY-NSHDSACASA-N	0	3	318.343	2.543	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1cnn(C)c1SC	ZINC000331073806	427337383	/nfs/dbraw/zinc/33/73/83/427337383.db2.gz	GBQCOAFXAHESBP-LBPRGKRZSA-N	0	3	310.467	2.711	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1	ZINC000261726523	427338325	/nfs/dbraw/zinc/33/83/25/427338325.db2.gz	NUZLBCUGVMRAQH-LJQANCHMSA-N	0	3	309.413	2.793	20	30		DFEDHN
C[C@@]1(CO)CCC[C@H]1NCc1cc(C#N)ccc1Br	ZINC000331129810	427350221	/nfs/dbraw/zinc/35/02/21/427350221.db2.gz	ALTHXEBBGRBZPF-CABCVRRESA-N	0	3	323.234	2.961	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000330678554	427289687	/nfs/dbraw/zinc/28/96/87/427289687.db2.gz	MEJOXWDJSUPYIM-VIFPVBQESA-N	0	3	320.359	2.912	20	30		DFEDHN
COc1cc(CNCc2cc(C#N)n(C)c2)c2ccccc2n1	ZINC000191216923	427290311	/nfs/dbraw/zinc/29/03/11/427290311.db2.gz	JUODBPMAOXEXPY-UHFFFAOYSA-N	0	3	306.369	2.743	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1O	ZINC000330695599	427293453	/nfs/dbraw/zinc/29/34/53/427293453.db2.gz	DHTZOXVHNOYPEZ-CVEARBPZSA-N	0	3	302.418	2.666	20	30		DFEDHN
CC(=O)Nc1cccc(NC(=O)NCC2=CCN(C)CC2)c1C	ZINC000330701537	427296126	/nfs/dbraw/zinc/29/61/26/427296126.db2.gz	ZBZPQVNBNQXIKE-UHFFFAOYSA-N	0	3	316.405	2.541	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc1	ZINC000271013596	427373654	/nfs/dbraw/zinc/37/36/54/427373654.db2.gz	SLOQKSZILQWPEV-CABCVRRESA-N	0	3	315.335	2.880	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)[nH]c(C)c1C(N)=O	ZINC000331236503	427376988	/nfs/dbraw/zinc/37/69/88/427376988.db2.gz	HLRNHWLJPHWSSD-GXSJLCMTSA-N	0	3	306.410	2.556	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)[nH]c(C)c1C(N)=O	ZINC000331236504	427377781	/nfs/dbraw/zinc/37/77/81/427377781.db2.gz	HLRNHWLJPHWSSD-MWLCHTKSSA-N	0	3	306.410	2.556	20	30		DFEDHN
CC(C)c1nn(C)cc1NC(=O)NC[C@H](C)N1CCC(C)CC1	ZINC000331255322	427383353	/nfs/dbraw/zinc/38/33/53/427383353.db2.gz	YJEXTQFEOMAHCC-AWEZNQCLSA-N	0	3	321.469	2.990	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000331261609	427385305	/nfs/dbraw/zinc/38/53/05/427385305.db2.gz	CEMMUICLMBNDSP-ULQDDVLXSA-N	0	3	319.449	2.751	20	30		DFEDHN
CCNC(=O)NC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1	ZINC000331260694	427386370	/nfs/dbraw/zinc/38/63/70/427386370.db2.gz	BDSJUTXJFVXTOU-JKSUJKDBSA-N	0	3	317.433	2.613	20	30		DFEDHN
CC(C)[C@H](C(=O)NCC1CCC(C#N)CC1)N1CCCCC1	ZINC000331283909	427392175	/nfs/dbraw/zinc/39/21/75/427392175.db2.gz	SDEWOCRTTZWGCW-OFLPRAFFSA-N	0	3	305.466	2.943	20	30		DFEDHN
CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[O-]	ZINC000331305114	427396688	/nfs/dbraw/zinc/39/66/88/427396688.db2.gz	ATHIPZUADQOSGE-KGLIPLIRSA-N	0	3	304.390	2.772	20	30		DFEDHN
Cc1ccc(Cl)cc1C(=O)NC[C@H]1CCCCN1CCO	ZINC000331345699	427402799	/nfs/dbraw/zinc/40/27/99/427402799.db2.gz	VQKHHRGMJHUOJX-CQSZACIVSA-N	0	3	310.825	2.800	20	30		DFEDHN
COc1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)ccc1C#N	ZINC000293698820	427407657	/nfs/dbraw/zinc/40/76/57/427407657.db2.gz	RJJOQBVEUKJJME-GOSISDBHSA-N	0	3	312.413	2.958	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1F	ZINC000270435404	427356981	/nfs/dbraw/zinc/35/69/81/427356981.db2.gz	JYVQYBJGQUMTRX-RHSMWYFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000183955494	427363787	/nfs/dbraw/zinc/36/37/87/427363787.db2.gz	IWIYBVOHMJKUDU-UHFFFAOYSA-N	0	3	306.797	2.770	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C	ZINC000331189340	427367447	/nfs/dbraw/zinc/36/74/47/427367447.db2.gz	VCBRJRSWASWGIZ-OFQRWUPVSA-N	0	3	317.433	2.611	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C1CCCC1	ZINC000285901192	427367431	/nfs/dbraw/zinc/36/74/31/427367431.db2.gz	JRMGXFQBLUIXGJ-QGZVFWFLSA-N	0	3	312.417	2.945	20	30		DFEDHN
C=C[C@H](CC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1)c1ccccc1	ZINC000270990046	427368358	/nfs/dbraw/zinc/36/83/58/427368358.db2.gz	DTPNQCIKHFWYHG-HYVNUMGLSA-N	0	3	318.486	2.850	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(CCC(N)=O)CC2)c1	ZINC000271205322	427448461	/nfs/dbraw/zinc/44/84/61/427448461.db2.gz	RMYSWAFQACMFQA-UHFFFAOYSA-N	0	3	302.418	2.729	20	30		DFEDHN
CC[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1	ZINC000278846107	427472866	/nfs/dbraw/zinc/47/28/66/427472866.db2.gz	VDZGHTBVLJQGOD-IRXDYDNUSA-N	0	3	316.401	2.521	20	30		DFEDHN
N#Cc1ccc(CN2CCN(Cc3ccccc3O)CC2)cc1	ZINC000271266600	427474935	/nfs/dbraw/zinc/47/49/35/427474935.db2.gz	KUIIIDWEICUELQ-UHFFFAOYSA-N	0	3	307.397	2.582	20	30		DFEDHN
C=CC[C@@H](CO)NCC1=Cc2cc(Br)ccc2OC1	ZINC000184266821	427426477	/nfs/dbraw/zinc/42/64/77/427426477.db2.gz	UPEYGOSWWFNINM-AWEZNQCLSA-N	0	3	324.218	2.752	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@H](O)Cc3ccc(F)cc3)CC2)c1	ZINC000293761640	427430147	/nfs/dbraw/zinc/43/01/47/427430147.db2.gz	JZIPIPZEIDXQJL-GOSISDBHSA-N	0	3	310.372	2.880	20	30		DFEDHN
Cn1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1	ZINC000271188367	427437629	/nfs/dbraw/zinc/43/76/29/427437629.db2.gz	RMMAWENVFULNGT-UHFFFAOYSA-N	0	3	322.412	2.747	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000278908890	427495510	/nfs/dbraw/zinc/49/55/10/427495510.db2.gz	QNGFXFFHIOTYMB-HOCLYGCPSA-N	0	3	310.463	2.574	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000278908892	427496688	/nfs/dbraw/zinc/49/66/88/427496688.db2.gz	QNGFXFFHIOTYMB-ZBFHGGJFSA-N	0	3	310.463	2.574	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(CCN(C)C)C(C)C)c1	ZINC000271330786	427500048	/nfs/dbraw/zinc/50/00/48/427500048.db2.gz	NBIBSOSVEWBKSP-UHFFFAOYSA-N	0	3	303.406	2.503	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000286355805	427501420	/nfs/dbraw/zinc/50/14/20/427501420.db2.gz	MVJRGQOBEUZURQ-SWLSCSKDSA-N	0	3	300.362	2.529	20	30		DFEDHN
Cc1nsc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1C#N	ZINC000286400981	427515645	/nfs/dbraw/zinc/51/56/45/427515645.db2.gz	ZMOJIXIYUQJDMY-CABCVRRESA-N	0	3	320.462	2.503	20	30		DFEDHN
CN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc21	ZINC000298086477	427519609	/nfs/dbraw/zinc/51/96/09/427519609.db2.gz	ZCCRJFZFSCKLJV-PXNSSMCTSA-N	0	3	322.408	2.917	20	30		DFEDHN
C=C(CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1ccccc1	ZINC000298109831	427522494	/nfs/dbraw/zinc/52/24/94/427522494.db2.gz	XGTNPPZOWKIFMK-OAHLLOKOSA-N	0	3	313.445	2.826	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(OC)cc1)C1CC1	ZINC000298103792	427523532	/nfs/dbraw/zinc/52/35/32/427523532.db2.gz	QCUWCABWCBTZEJ-LJQANCHMSA-N	0	3	314.429	2.937	20	30		DFEDHN
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN2CCC[C@H]2C1	ZINC000338864299	427527422	/nfs/dbraw/zinc/52/74/22/427527422.db2.gz	PMWFEJTWDXDPFS-CABCVRRESA-N	0	3	303.454	2.652	20	30		DFEDHN
N#Cc1nccnc1NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000263929310	427612356	/nfs/dbraw/zinc/61/23/56/427612356.db2.gz	WEHKEVHXJNNGLC-CYBMUJFWSA-N	0	3	313.430	2.734	20	30		DFEDHN
CC1CCN(C(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1	ZINC000338927068	427563987	/nfs/dbraw/zinc/56/39/87/427563987.db2.gz	GLJQRSFRFKSAIP-DOTOQJQBSA-N	0	3	303.450	2.649	20	30		DFEDHN
C=CCSCCNCc1ccccc1N1CCO[C@H](C)C1	ZINC000298299627	427564597	/nfs/dbraw/zinc/56/45/97/427564597.db2.gz	HNAAJKHKXDBWMN-OAHLLOKOSA-N	0	3	306.475	2.921	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CNC1(c2cccc(C#N)c2)CC1	ZINC000271826780	427587979	/nfs/dbraw/zinc/58/79/79/427587979.db2.gz	TUBVNMJHKWHMRM-GOSISDBHSA-N	0	3	322.408	2.885	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@]2(C)[C@@H](C1)C2(F)F	ZINC000298386369	427590815	/nfs/dbraw/zinc/59/08/15/427590815.db2.gz	VVDJPDUJELMDLZ-CVEARBPZSA-N	0	3	322.355	2.923	20	30		DFEDHN
Cc1nnc(N[C@H](C)CN(C)Cc2ccccc2)c(C#N)c1C	ZINC000271867567	427591475	/nfs/dbraw/zinc/59/14/75/427591475.db2.gz	RNWKUSLITNEYBI-CYBMUJFWSA-N	0	3	309.417	2.898	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2	ZINC000332746804	427626918	/nfs/dbraw/zinc/62/69/18/427626918.db2.gz	LFOPUOPKXQPPLX-BSDSXHPESA-N	0	3	324.424	2.833	20	30		DFEDHN
C=CCOCCN1CCN(CCOCC=C)C2(CCCCC2)C1	ZINC000339038609	427641663	/nfs/dbraw/zinc/64/16/63/427641663.db2.gz	PTRNYHNKWUYNLF-UHFFFAOYSA-N	0	3	322.493	2.712	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C#N)cc1	ZINC000272146168	427650332	/nfs/dbraw/zinc/65/03/32/427650332.db2.gz	LAMDMHIJGVRXQL-ZDUSSCGKSA-N	0	3	300.406	2.752	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cc(COC)on1)C(C)C	ZINC000298606732	427656753	/nfs/dbraw/zinc/65/67/53/427656753.db2.gz	ZPKSSRPGWAFAJP-KRWDZBQOSA-N	0	3	307.438	2.609	20	30		DFEDHN
C=CCOCCN1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000339064643	427657770	/nfs/dbraw/zinc/65/77/70/427657770.db2.gz	QVCZPDYYBXRRSV-UHFFFAOYSA-N	0	3	301.386	2.750	20	30		DFEDHN
N#CCCOCCN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000339010853	427625015	/nfs/dbraw/zinc/62/50/15/427625015.db2.gz	XGWKBDZUYQKJPA-NSHDSACASA-N	0	3	316.327	2.538	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000343619121	272185853	/nfs/dbraw/zinc/18/58/53/272185853.db2.gz	FURSSYBBUCVZHL-ZDUSSCGKSA-N	0	3	305.809	2.816	20	30		DFEDHN
N#Cc1csc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1	ZINC000344336128	272315561	/nfs/dbraw/zinc/31/55/61/272315561.db2.gz	AKNXSLGTDAEQBC-AWEZNQCLSA-N	0	3	311.410	2.794	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)c2nc(C)cc(C#N)n2)c1	ZINC000287751282	427684734	/nfs/dbraw/zinc/68/47/34/427684734.db2.gz	GSOFWCURTZNAHD-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@@H]2CCCCN2C1=O)C(C)C	ZINC000272261680	427687454	/nfs/dbraw/zinc/68/74/54/427687454.db2.gz	MGGZHQCWSPJTEE-JKSUJKDBSA-N	0	3	319.449	2.502	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)c1nc(C)cc(C#N)n1	ZINC000287781606	427692242	/nfs/dbraw/zinc/69/22/42/427692242.db2.gz	ILLZWCYRZIAWTC-UHFFFAOYSA-N	0	3	309.417	2.745	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)COCc1cccs1	ZINC000272311658	427706044	/nfs/dbraw/zinc/70/60/44/427706044.db2.gz	RQGFXWCDKXKWLH-HNNXBMFYSA-N	0	3	321.442	2.949	20	30		DFEDHN
CN(Cc1cccnc1)C[C@@H]1CCN(CC#Cc2ccccc2)C1	ZINC000279828905	427717143	/nfs/dbraw/zinc/71/71/43/427717143.db2.gz	ZIVYORMKINPIOB-NRFANRHFSA-N	0	3	319.452	2.887	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1	ZINC000299166504	427757907	/nfs/dbraw/zinc/75/79/07/427757907.db2.gz	UVHQKWXZVYQYAW-GOSISDBHSA-N	0	3	314.429	2.608	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(OC)cc2)CC1	ZINC000299166507	427758029	/nfs/dbraw/zinc/75/80/29/427758029.db2.gz	UVHQKWXZVYQYAW-SFHVURJKSA-N	0	3	314.429	2.608	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000336851605	427758647	/nfs/dbraw/zinc/75/86/47/427758647.db2.gz	WQLDTTPGIAFRFK-LLVKDONJSA-N	0	3	311.307	2.514	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000336854223	427760683	/nfs/dbraw/zinc/76/06/83/427760683.db2.gz	NBHSCYYLGVNYGT-IUODEOHRSA-N	0	3	300.362	2.529	20	30		DFEDHN
CCN(Cc1cccs1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000299250695	427764590	/nfs/dbraw/zinc/76/45/90/427764590.db2.gz	CGNGYCINPRAESG-OAHLLOKOSA-N	0	3	316.426	2.882	20	30		DFEDHN
C=CCSCCNC(=O)N(CCN(C)C)Cc1ccccc1	ZINC000299317578	427765008	/nfs/dbraw/zinc/76/50/08/427765008.db2.gz	LFYFRDXJXWRALX-UHFFFAOYSA-N	0	3	321.490	2.679	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(OC)cc1	ZINC000299427981	427765438	/nfs/dbraw/zinc/76/54/38/427765438.db2.gz	UFZGJGKRCZYPSO-CABCVRRESA-N	0	3	302.418	2.935	20	30		DFEDHN
CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000336937230	427777948	/nfs/dbraw/zinc/77/79/48/427777948.db2.gz	FJVKPZBGGHTLPB-CYBMUJFWSA-N	0	3	312.339	2.748	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)n1	ZINC000287984599	427724577	/nfs/dbraw/zinc/72/45/77/427724577.db2.gz	ARRZDGQKCRDWRE-RDTXWAMCSA-N	0	3	321.428	2.979	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H]2CCCc3ccccc32)CC1	ZINC000299062289	427746261	/nfs/dbraw/zinc/74/62/61/427746261.db2.gz	SDYHFKFRRXDBFL-SFHVURJKSA-N	0	3	310.441	2.568	20	30		DFEDHN
Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1C#N	ZINC000336722377	427750250	/nfs/dbraw/zinc/75/02/50/427750250.db2.gz	VUNKWBIBJLRMOI-QAPCUYQASA-N	0	3	306.413	3.337	20	30		DFEDHN
C=CCN1CC[C@@H](N(Cc2ccc(C#N)cc2)CC(C)C)C1=O	ZINC000337122179	427801201	/nfs/dbraw/zinc/80/12/01/427801201.db2.gz	BDIOUAWJQITUIW-GOSISDBHSA-N	0	3	311.429	2.803	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](CC4CC4)C3)C2=O)cc1	ZINC000339673552	427810065	/nfs/dbraw/zinc/81/00/65/427810065.db2.gz	POIBIRKVUDOEAY-FUHWJXTLSA-N	0	3	309.413	2.786	20	30		DFEDHN
CN(C(=O)CN1CC[C@H](CC2CC2)C1)C1(C#N)CCCCC1	ZINC000339680723	427811152	/nfs/dbraw/zinc/81/11/52/427811152.db2.gz	XKAVAKZJIDPEJH-MRXNPFEDSA-N	0	3	303.450	2.793	20	30		DFEDHN
N#CC1(CCCN[C@H](CO)c2cccc(F)c2)CCOCC1	ZINC000337182977	427811711	/nfs/dbraw/zinc/81/17/11/427811711.db2.gz	BORVLALBYUDOTA-MRXNPFEDSA-N	0	3	306.381	2.549	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337185831	427811773	/nfs/dbraw/zinc/81/17/73/427811773.db2.gz	PCEDGHHYQLILDN-MAUKXSAKSA-N	0	3	316.445	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@H](OCC)C23CCCCC3)C1=O	ZINC000337188547	427812679	/nfs/dbraw/zinc/81/26/79/427812679.db2.gz	QHZTXHYKOHDPEE-BBWFWOEESA-N	0	3	320.477	2.833	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(-c3ncon3)cc2)nc(C)n1	ZINC000337195665	427813641	/nfs/dbraw/zinc/81/36/41/427813641.db2.gz	WYFGNQPPGNOJEX-CQSZACIVSA-N	0	3	319.324	2.634	20	30		DFEDHN
CCc1nnc(N[C@H]2CN(C(C)C)C[C@H]2C)c(C#N)c1CC	ZINC000301665719	427814335	/nfs/dbraw/zinc/81/43/35/427814335.db2.gz	ZYVRCBOQHLIUKB-WBMJQRKESA-N	0	3	301.438	2.614	20	30		DFEDHN
N#Cc1c(F)cccc1N1CC[C@H](OCCN2CCCCC2)C1	ZINC000301727763	427820268	/nfs/dbraw/zinc/82/02/68/427820268.db2.gz	BKQAGQUDAWUPRT-HNNXBMFYSA-N	0	3	317.408	2.779	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CC[C@H](C)OCc2ccccc2)C1=O	ZINC000337237594	427821199	/nfs/dbraw/zinc/82/11/99/427821199.db2.gz	YQAVWBADWCBMFY-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
CC(C)[C@H](C(=O)N1CCc2ccc(C#N)cc21)N1CCCCC1	ZINC000339825393	427840703	/nfs/dbraw/zinc/84/07/03/427840703.db2.gz	NFKQBZFVAZUWQW-GOSISDBHSA-N	0	3	311.429	2.958	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2ccc(C#N)nn2)CC1	ZINC000301918870	427841862	/nfs/dbraw/zinc/84/18/62/427841862.db2.gz	KBBDSDIYXRBUCF-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CC(C)OCC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000349851450	427879920	/nfs/dbraw/zinc/87/99/20/427879920.db2.gz	HLFSSSJVSUHMEY-IBGZPJMESA-N	0	3	314.429	2.823	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CCCOC2)C1	ZINC000355784162	427892985	/nfs/dbraw/zinc/89/29/85/427892985.db2.gz	OHTYAOFVVRZDJS-AEFFLSMTSA-N	0	3	308.466	2.692	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)NCC1CCC(C#N)CC1	ZINC000355811368	427904846	/nfs/dbraw/zinc/90/48/46/427904846.db2.gz	MJWCXRRDHYVSAQ-UHFFFAOYSA-N	0	3	320.481	2.834	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1	ZINC000359555037	427906946	/nfs/dbraw/zinc/90/69/46/427906946.db2.gz	JXBDGQWTNFXRAT-FZCLSBEQSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000350740797	427969423	/nfs/dbraw/zinc/96/94/23/427969423.db2.gz	HUNKTEALBRIRCV-ZIAGYGMSSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000350785859	427970843	/nfs/dbraw/zinc/97/08/43/427970843.db2.gz	XTBQTWWBCGXDJL-DOMZBBRYSA-N	0	3	322.343	2.652	20	30		DFEDHN
C=CCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000350043675	427928339	/nfs/dbraw/zinc/92/83/39/427928339.db2.gz	XNUFILSCRBJCMG-QGZVFWFLSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC(F)(F)C2)CC1	ZINC000337493341	427931665	/nfs/dbraw/zinc/93/16/65/427931665.db2.gz	PEFZEONWDMHWCP-CYBMUJFWSA-N	0	3	300.393	2.969	20	30		DFEDHN
CCc1ccc([C@@H](CO)NCCOc2ccc(C#N)cc2)cc1	ZINC000359625004	427942695	/nfs/dbraw/zinc/94/26/95/427942695.db2.gz	KEYVEBLHBPWCDD-LJQANCHMSA-N	0	3	310.397	2.823	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000350598688	427954128	/nfs/dbraw/zinc/95/41/28/427954128.db2.gz	NNFCMQMQWKDXLV-OAHLLOKOSA-N	0	3	317.481	2.726	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(Br)c(F)c1	ZINC000341313287	428033013	/nfs/dbraw/zinc/03/30/13/428033013.db2.gz	JWWKTESUJZICLS-NSHDSACASA-N	0	3	302.187	2.862	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(Cl)c2c(c1)OCCCO2	ZINC000341283115	428033259	/nfs/dbraw/zinc/03/32/59/428033259.db2.gz	WAEXEBOSJZAHAD-GFCCVEGCSA-N	0	3	311.809	2.776	20	30		DFEDHN
CC1CCC(N2CCN(Cc3nc(C#N)cs3)CC2)CC1	ZINC000356137861	428038047	/nfs/dbraw/zinc/03/80/47/428038047.db2.gz	QAZUDHYCIYMOHA-UHFFFAOYSA-N	0	3	304.463	2.711	20	30		DFEDHN
CC[C@H](NCc1cccnc1-n1cncn1)c1ccc(C#N)cc1	ZINC000377082450	428052698	/nfs/dbraw/zinc/05/26/98/428052698.db2.gz	YYHAUZNCWJWHRN-KRWDZBQOSA-N	0	3	318.384	2.775	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000341449121	428067939	/nfs/dbraw/zinc/06/79/39/428067939.db2.gz	GGUKFGCQVRTDBS-AWEZNQCLSA-N	0	3	317.433	2.533	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1C	ZINC000359906147	428071563	/nfs/dbraw/zinc/07/15/63/428071563.db2.gz	FFWQEBSNGBCGFN-ZDUSSCGKSA-N	0	3	310.313	2.853	20	30		DFEDHN
N#CC(C(=O)Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359926135	428079837	/nfs/dbraw/zinc/07/98/37/428079837.db2.gz	UQBYDSMYLGVQOX-GFCCVEGCSA-N	0	3	318.239	2.514	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000351414446	428086710	/nfs/dbraw/zinc/08/67/10/428086710.db2.gz	NMYYWHMRZFWMAO-GWCFXTLKSA-N	0	3	309.291	2.555	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CC[C@@]2(C1)CCCN(C)C2	ZINC000356252871	428089293	/nfs/dbraw/zinc/08/92/93/428089293.db2.gz	KFMOMKCAIINHEJ-SFHVURJKSA-N	0	3	308.466	2.694	20	30		DFEDHN
CN(CCCN(C)Cc1nc(C#N)cs1)Cc1ccco1	ZINC000356310946	428118327	/nfs/dbraw/zinc/11/83/27/428118327.db2.gz	AZIXVCDYXULJHF-UHFFFAOYSA-N	0	3	304.419	2.562	20	30		DFEDHN
C[C@@H](C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000360025565	428122572	/nfs/dbraw/zinc/12/25/72/428122572.db2.gz	RFNXIXZDRJCTBE-OWCLPIDISA-N	0	3	313.445	2.898	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000369815333	428067458	/nfs/dbraw/zinc/06/74/58/428067458.db2.gz	YPBBIECKTYDRAM-OFQRWUPVSA-N	0	3	319.474	2.842	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000370102747	428135707	/nfs/dbraw/zinc/13/57/07/428135707.db2.gz	OVIBJEGCHSZXOM-PMPSAXMXSA-N	0	3	324.465	2.645	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)s1	ZINC000370109277	428136857	/nfs/dbraw/zinc/13/68/57/428136857.db2.gz	DYFLEWXMSIOUTC-UHFFFAOYSA-N	0	3	323.425	2.645	20	30		DFEDHN
CC[C@H](N[C@@H](CCSC)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000352519899	428137404	/nfs/dbraw/zinc/13/74/04/428137404.db2.gz	SNWRKANPOVMCED-HOTGVXAUSA-N	0	3	319.474	2.809	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)C(C)C	ZINC000360083780	428150925	/nfs/dbraw/zinc/15/09/25/428150925.db2.gz	QWQUGSSEWKQFJP-YESZJQIVSA-N	0	3	318.465	2.676	20	30		DFEDHN
CC[C@H]1CN2CCC[C@H]2CN1c1nc(C)c(C#N)cc1Cl	ZINC000360081546	428151973	/nfs/dbraw/zinc/15/19/73/428151973.db2.gz	GIRBTQOXSNDTIQ-KBPBESRZSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC12CCOCC2)C(C)C	ZINC000370155631	428146487	/nfs/dbraw/zinc/14/64/87/428146487.db2.gz	HYFKWEGLZDKQAY-SJORKVTESA-N	0	3	320.477	2.618	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000352577744	428156598	/nfs/dbraw/zinc/15/65/98/428156598.db2.gz	RGDMAAOTJGPQCL-UHFFFAOYSA-N	0	3	317.408	2.529	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C2CCOCC2)C1=O	ZINC000370242859	428164400	/nfs/dbraw/zinc/16/44/00/428164400.db2.gz	UDYHWOBCYMJMDM-MSOLQXFVSA-N	0	3	314.429	2.531	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H]1N(C)C	ZINC000360130755	428172909	/nfs/dbraw/zinc/17/29/09/428172909.db2.gz	JJJLDAHCQZEBKR-GJZGRUSLSA-N	0	3	309.866	2.689	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H]1N(C)C	ZINC000360130756	428173701	/nfs/dbraw/zinc/17/37/01/428173701.db2.gz	JJJLDAHCQZEBKR-HUUCEWRRSA-N	0	3	309.866	2.689	20	30		DFEDHN
C#CCCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000370426013	428207486	/nfs/dbraw/zinc/20/74/86/428207486.db2.gz	VULUYCABYDANIF-MSOLQXFVSA-N	0	3	313.445	2.707	20	30		DFEDHN
C[C@@H](NCC(C)(C)CC#N)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000414163112	428221949	/nfs/dbraw/zinc/22/19/49/428221949.db2.gz	IBPJDGWQMHJAPP-LLVKDONJSA-N	0	3	312.410	2.820	20	30		DFEDHN
COC(=O)c1cnc([C@H](C)NCC2CCC(C#N)CC2)s1	ZINC000414158924	428222272	/nfs/dbraw/zinc/22/22/72/428222272.db2.gz	XYKSIVRPUJFNAU-UNXYVOJBSA-N	0	3	307.419	2.910	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]Cc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000360165543	428186529	/nfs/dbraw/zinc/18/65/29/428186529.db2.gz	YMOHILMFXVHRBA-CRAIPNDOSA-N	0	3	315.417	2.576	20	30		DFEDHN
C=CCC[C@H](CC)[NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1	ZINC000360165547	428186713	/nfs/dbraw/zinc/18/67/13/428186713.db2.gz	YMOHILMFXVHRBA-YJBOKZPZSA-N	0	3	315.417	2.576	20	30		DFEDHN
CSC[C@](C)(O)CNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352836552	428274795	/nfs/dbraw/zinc/27/47/95/428274795.db2.gz	MQZUIHTZJNBOBT-CYBMUJFWSA-N	0	3	318.364	2.781	20	30		DFEDHN
COc1ccc(C[C@@H](C)CNCc2nc(C#N)cs2)cc1	ZINC000352846974	428275614	/nfs/dbraw/zinc/27/56/14/428275614.db2.gz	UKFIYWFQEFEREQ-GFCCVEGCSA-N	0	3	301.415	2.992	20	30		DFEDHN
C=CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C)c1ccccc1	ZINC000346697703	428280060	/nfs/dbraw/zinc/28/00/60/428280060.db2.gz	GDZWBWRPBYTTHX-KSZLIROESA-N	0	3	316.445	2.524	20	30		DFEDHN
CCCN(CCN1CCCC1)Cc1ccc(C#N)cc1OC	ZINC000352884397	428295053	/nfs/dbraw/zinc/29/50/53/428295053.db2.gz	AKWYAJMFRYLROF-UHFFFAOYSA-N	0	3	301.434	2.875	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000360435976	428296128	/nfs/dbraw/zinc/29/61/28/428296128.db2.gz	JIURDZRUFGVDRI-UHFFFAOYSA-N	0	3	323.440	2.942	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360302548	428243337	/nfs/dbraw/zinc/24/33/37/428243337.db2.gz	IIOOJHXSTAYJII-WMLDXEAASA-N	0	3	301.434	2.754	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000341892992	428243827	/nfs/dbraw/zinc/24/38/27/428243827.db2.gz	XMRCACPFPMFFBI-QWHCGFSZSA-N	0	3	320.824	2.756	20	30		DFEDHN
C=CCC1(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CCC1	ZINC000370636786	428259667	/nfs/dbraw/zinc/25/96/67/428259667.db2.gz	USOKONBRCCXXEO-GVDBMIGSSA-N	0	3	320.477	2.738	20	30		DFEDHN
CC1(C)CCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000299352449	273580322	/nfs/dbraw/zinc/58/03/22/273580322.db2.gz	PGVLCCAWBYRKSN-STQMWFEESA-N	0	3	303.431	2.893	20	30		DFEDHN
C[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cccc(C#N)c1	ZINC000360472429	428312947	/nfs/dbraw/zinc/31/29/47/428312947.db2.gz	GGTUFIHXSJBAQZ-YOEHRIQHSA-N	0	3	313.445	2.898	20	30		DFEDHN
Cc1nnc(N2CC[C@H](N(C)Cc3ccccc3)C2)c(C#N)c1C	ZINC000360472999	428313309	/nfs/dbraw/zinc/31/33/09/428313309.db2.gz	OXZYBJPWMNXZQW-KRWDZBQOSA-N	0	3	321.428	2.676	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)cc1Cl	ZINC000414493948	428318322	/nfs/dbraw/zinc/31/83/22/428318322.db2.gz	CXFIMPZCQGFPMY-AWEZNQCLSA-N	0	3	322.836	2.815	20	30		DFEDHN
C=CCN1CCC(Nc2cc(-c3ccncc3)nc(C)n2)CC1	ZINC000360453812	428303236	/nfs/dbraw/zinc/30/32/36/428303236.db2.gz	DNQPNFYLHNOSIF-UHFFFAOYSA-N	0	3	309.417	2.909	20	30		DFEDHN
C=C(CNC(=O)NC[C@H]1CCCCN1CC)c1ccccc1	ZINC000353115704	428387967	/nfs/dbraw/zinc/38/79/67/428387967.db2.gz	WFYUDHBSZOKAMG-QGZVFWFLSA-N	0	3	301.434	2.873	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@@H]2CCCOC2)CC1	ZINC000371637775	428399222	/nfs/dbraw/zinc/39/92/22/428399222.db2.gz	LJVDYEYRFABEDQ-FUHWJXTLSA-N	0	3	320.477	2.714	20	30		DFEDHN
Cn1cc(CN[C@@H]2C[C@@H]2C(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000342219705	428356811	/nfs/dbraw/zinc/35/68/11/428356811.db2.gz	JLIUZSQUZKIMKH-UONOGXRCSA-N	0	3	302.328	2.702	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cnc2ccc(C#N)cn12	ZINC000378337875	428368708	/nfs/dbraw/zinc/36/87/08/428368708.db2.gz	BJWZWJXIYOGYRU-DLBZAZTESA-N	0	3	323.444	2.655	20	30		DFEDHN
CN1CCC(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000378356730	428375217	/nfs/dbraw/zinc/37/52/17/428375217.db2.gz	PQIOYFSELBGFQU-UHFFFAOYSA-N	0	3	309.413	2.516	20	30		DFEDHN
N#Cc1cnccc1NCC1CCN(Cc2cccs2)CC1	ZINC000372478468	428450671	/nfs/dbraw/zinc/45/06/71/428450671.db2.gz	SHRBCVHWLUKVQX-UHFFFAOYSA-N	0	3	312.442	2.761	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCc3c2cccc3CN2CCCC2)c[nH]1	ZINC000378509298	428416422	/nfs/dbraw/zinc/41/64/22/428416422.db2.gz	WFECQCHHUQZYRA-UHFFFAOYSA-N	0	3	320.396	2.685	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	ZINC000347041311	428420637	/nfs/dbraw/zinc/42/06/37/428420637.db2.gz	SNGGVCXMIZGTSI-CYBMUJFWSA-N	0	3	313.401	2.981	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)c1nc2cc(Cl)ccn2c1C#N	ZINC000342418010	428427653	/nfs/dbraw/zinc/42/76/53/428427653.db2.gz	RYYZCMZNDMJHLX-GFCCVEGCSA-N	0	3	317.824	2.637	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(SCC#N)c1	ZINC000342463603	428429800	/nfs/dbraw/zinc/42/98/00/428429800.db2.gz	CRCNXQHUBQZZQX-BLLLJJGKSA-N	0	3	315.442	2.515	20	30		DFEDHN
COc1cc(CN(C(=O)C(C)C#N)C2CC2)ccc1OC(F)F	ZINC000347061302	428432237	/nfs/dbraw/zinc/43/22/37/428432237.db2.gz	FDINHYHRUBRBQD-SNVBAGLBSA-N	0	3	324.327	2.947	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H]1CCC[C@@H]1c1ccc(F)cc1	ZINC000372900627	428505412	/nfs/dbraw/zinc/50/54/12/428505412.db2.gz	OKPJAOPQIGCYMR-SJORKVTESA-N	0	3	317.408	2.814	20	30		DFEDHN
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C	ZINC000397792696	428511427	/nfs/dbraw/zinc/51/14/27/428511427.db2.gz	AMRBYSATOVXXFS-UONOGXRCSA-N	0	3	319.405	2.933	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@@H]2CCc3nccn3C2)cc1	ZINC000373027556	428511644	/nfs/dbraw/zinc/51/16/44/428511644.db2.gz	FPOITBLAMNLCGD-WBVHZDCISA-N	0	3	310.401	2.841	20	30		DFEDHN
CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](CC)O1	ZINC000398531375	428520868	/nfs/dbraw/zinc/52/08/68/428520868.db2.gz	RDOPAABQDKFCAW-IRXDYDNUSA-N	0	3	315.417	2.776	20	30		DFEDHN
CC#CCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000361646900	428586513	/nfs/dbraw/zinc/58/65/13/428586513.db2.gz	JADODYWNWAWSPC-UHFFFAOYSA-N	0	3	301.434	2.610	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](O)C2(C)C)ccc1OC	ZINC000361082999	428535753	/nfs/dbraw/zinc/53/57/53/428535753.db2.gz	PGSGKYXEBUZARW-KRWDZBQOSA-N	0	3	305.418	2.995	20	30		DFEDHN
Cn1nccc1[C@@H]1OCC[C@H]1CN(CCC#N)CC(C)(C)C	ZINC000343232235	428537796	/nfs/dbraw/zinc/53/77/96/428537796.db2.gz	MXWUZBMHVJCUAI-GOEBONIOSA-N	0	3	304.438	2.759	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)cc(OC)c1O	ZINC000361152267	428541290	/nfs/dbraw/zinc/54/12/90/428541290.db2.gz	IVEOWXILVGMOPL-KBPBESRZSA-N	0	3	304.434	2.654	20	30		DFEDHN
Cc1nn(C)cc1[C@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000343273434	428542215	/nfs/dbraw/zinc/54/22/15/428542215.db2.gz	WQNRTDFIDSBUSF-XJKSGUPXSA-N	0	3	310.401	2.678	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(CSC)cc2)CC1	ZINC000357579497	428549552	/nfs/dbraw/zinc/54/95/52/428549552.db2.gz	ICVNFUNIKZZQLO-UHFFFAOYSA-N	0	3	304.459	2.930	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCSc2ccccc2)CC1	ZINC000357585949	428549597	/nfs/dbraw/zinc/54/95/97/428549597.db2.gz	ZZZZGLRPVOURHE-UHFFFAOYSA-N	0	3	304.459	2.935	20	30		DFEDHN
C=CCC[C@@H](NC[C@@H](C)N1CCN(CC)CC1)c1ccco1	ZINC000353466339	428550654	/nfs/dbraw/zinc/55/06/54/428550654.db2.gz	YOQXALNFTWWJIF-IAGOWNOFSA-N	0	3	305.466	2.903	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000373341385	428552532	/nfs/dbraw/zinc/55/25/32/428552532.db2.gz	XKFRQFMQPKUXCD-UKRRQHHQSA-N	0	3	304.459	2.907	20	30		DFEDHN
CC#CCCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000373353573	428553569	/nfs/dbraw/zinc/55/35/69/428553569.db2.gz	JTLLEXIVTVZMCJ-SFHVURJKSA-N	0	3	313.445	2.603	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000361357904	428560760	/nfs/dbraw/zinc/56/07/60/428560760.db2.gz	ZRAJIFRZUSMSKG-WMZOPIPTSA-N	0	3	316.445	2.921	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1	ZINC000357831085	428564338	/nfs/dbraw/zinc/56/43/38/428564338.db2.gz	OJTYGTLZNYEJHX-FZMZJTMJSA-N	0	3	323.799	2.892	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21	ZINC000373391253	428565047	/nfs/dbraw/zinc/56/50/47/428565047.db2.gz	FZBUWRFYUUYEPZ-JYJNAYRXSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1	ZINC000357822891	428566073	/nfs/dbraw/zinc/56/60/73/428566073.db2.gz	JPCNOFNDGGOLTQ-SWLSCSKDSA-N	0	3	305.809	2.753	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NCCCNCc1cccnc1	ZINC000415315846	428567131	/nfs/dbraw/zinc/56/71/31/428567131.db2.gz	MWOJXRRJTDLMIR-UHFFFAOYSA-N	0	3	323.400	2.563	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccc(OC)cc2)C1	ZINC000357844304	428568985	/nfs/dbraw/zinc/56/89/85/428568985.db2.gz	YYJMHRZDUGSUIZ-NVXWUHKLSA-N	0	3	316.445	2.640	20	30		DFEDHN
C[C@H](NC(=O)c1cccc(SCC#N)c1)C1=CCN(C)CC1	ZINC000357915809	428571854	/nfs/dbraw/zinc/57/18/54/428571854.db2.gz	GZSZWQFIOWWDSB-ZDUSSCGKSA-N	0	3	315.442	2.682	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000404767832	428572169	/nfs/dbraw/zinc/57/21/69/428572169.db2.gz	TZLMMIWJWZWXCF-AWEZNQCLSA-N	0	3	319.380	2.796	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)Cc1ccc(Br)cc1F	ZINC000353573031	428602517	/nfs/dbraw/zinc/60/25/17/428602517.db2.gz	UEAJMNRHAVUUNS-SKDRFNHKSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OCC)C12CCCC2	ZINC000347697059	428623345	/nfs/dbraw/zinc/62/33/45/428623345.db2.gz	XSWVABRALKYUMM-HOTGVXAUSA-N	0	3	306.450	2.514	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)C1CCCCC1	ZINC000344111258	428623987	/nfs/dbraw/zinc/62/39/87/428623987.db2.gz	KMJDHRDZLUTHLY-LJQANCHMSA-N	0	3	316.445	2.948	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2CCO[C@@H]2c2cccnc2)ccc1C#N	ZINC000344300694	428628089	/nfs/dbraw/zinc/62/80/89/428628089.db2.gz	PWEMZZFBROFJGY-IEBWSBKVSA-N	0	3	323.396	2.924	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CNC)c1	ZINC000415956743	428635827	/nfs/dbraw/zinc/63/58/27/428635827.db2.gz	IYDFSQRCMXWLNT-ZBFHGGJFSA-N	0	3	303.406	2.509	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](F)C1)C(C)C	ZINC000348051089	428636231	/nfs/dbraw/zinc/63/62/31/428636231.db2.gz	TZBULMRVEQWRII-BZUAXINKSA-N	0	3	311.445	2.875	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000344457916	428650041	/nfs/dbraw/zinc/65/00/41/428650041.db2.gz	JIISWDYLFJFUBP-GUYJKWIASA-N	0	3	315.417	2.534	20	30		DFEDHN
CS[C@H]1CN(c2cccc(F)c2C#N)C[C@H]1N1CCCC1	ZINC000274695988	274186672	/nfs/dbraw/zinc/18/66/72/274186672.db2.gz	SELLVYPQEOFQKS-CVEARBPZSA-N	0	3	305.422	2.713	20	30		DFEDHN
COc1cc(CNCc2ccc3c(c2)CCN3C)ccc1C#N	ZINC000374145051	428666041	/nfs/dbraw/zinc/66/60/41/428666041.db2.gz	ACSIDBZFVWSABH-UHFFFAOYSA-N	0	3	307.397	2.849	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000373991177	428661067	/nfs/dbraw/zinc/66/10/67/428661067.db2.gz	STNKPIJLONMPRL-VQIMIIECSA-N	0	3	313.445	2.610	20	30		DFEDHN
CN(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1	ZINC000358787572	428676234	/nfs/dbraw/zinc/67/62/34/428676234.db2.gz	ZSORFYPEBYBRPZ-CYBMUJFWSA-N	0	3	319.368	2.524	20	30		DFEDHN
C=C(C)Cn1c(-c2ccoc2)nnc1N1CCCN(CC)CC1	ZINC000358836519	428698004	/nfs/dbraw/zinc/69/80/04/428698004.db2.gz	VWRWJVWAJWDTIC-UHFFFAOYSA-N	0	3	315.421	2.646	20	30		DFEDHN
C=CCSc1ccccc1C(=O)NCC1=CCN(C)CC1	ZINC000362402590	428734226	/nfs/dbraw/zinc/73/42/26/428734226.db2.gz	MGHBWVSZUREHLX-UHFFFAOYSA-N	0	3	302.443	2.956	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N(C)C[C@@H]1CCN(C)C1	ZINC000362387963	428728834	/nfs/dbraw/zinc/72/88/34/428728834.db2.gz	CQOKOODBEVQIAY-CQSZACIVSA-N	0	3	304.459	2.988	20	30		DFEDHN
C=CCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000348401655	428732652	/nfs/dbraw/zinc/73/26/52/428732652.db2.gz	GIJKBVWHKDCYAV-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
CN(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)nc1	ZINC000358787581	428677142	/nfs/dbraw/zinc/67/71/42/428677142.db2.gz	ZSORFYPEBYBRPZ-ZDUSSCGKSA-N	0	3	319.368	2.524	20	30		DFEDHN
Cc1cccc(NC(=O)[C@@H]2CCCN([C@H](C)CCC#N)C2)n1	ZINC000411340821	428780736	/nfs/dbraw/zinc/78/07/36/428780736.db2.gz	OTEJWASPAMSSKX-HUUCEWRRSA-N	0	3	300.406	2.733	20	30		DFEDHN
CCCN(C[C@@H]1CCCCO1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000411362237	428783064	/nfs/dbraw/zinc/78/30/64/428783064.db2.gz	BGZUPNMXRYPDGZ-BQFCYCMXSA-N	0	3	323.481	2.710	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCC(=O)NC23CCC3)c1Cl	ZINC000374750037	428743233	/nfs/dbraw/zinc/74/32/33/428743233.db2.gz	PWGGYPAGWYLBTI-CYBMUJFWSA-N	0	3	321.783	2.642	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)N(C)CCC#N)s1	ZINC000359080119	428805922	/nfs/dbraw/zinc/80/59/22/428805922.db2.gz	ZDZFVZLEUHHTFQ-ZIAGYGMSSA-N	0	3	305.447	2.954	20	30		DFEDHN
N#Cc1ccc(OCCN(CCCO)Cc2ccccc2)cc1	ZINC000362949160	428819655	/nfs/dbraw/zinc/81/96/55/428819655.db2.gz	NEHOXKZQOARQQR-UHFFFAOYSA-N	0	3	310.397	2.822	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nc(C)nc(C)c1C)C(C)C	ZINC000348720992	428819963	/nfs/dbraw/zinc/81/99/63/428819963.db2.gz	GLZGQQIAPKAUJK-QGZVFWFLSA-N	0	3	302.466	3.512	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000411635921	428826869	/nfs/dbraw/zinc/82/68/69/428826869.db2.gz	COHVTPWKFIURBR-IXDOHACOSA-N	0	3	309.498	2.604	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000411635916	428828266	/nfs/dbraw/zinc/82/82/66/428828266.db2.gz	COHVTPWKFIURBR-BBWFWOEESA-N	0	3	309.498	2.604	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1ccc(SC)cc1	ZINC000411645685	428830488	/nfs/dbraw/zinc/83/04/88/428830488.db2.gz	UDHMSSXAKCNQAD-UHFFFAOYSA-N	0	3	321.490	2.787	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nnc(-c2ccc(C)cc2)o1	ZINC000411643537	428830717	/nfs/dbraw/zinc/83/07/17/428830717.db2.gz	OYZIOXPTLBMRAE-UHFFFAOYSA-N	0	3	314.433	2.985	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2ccccc2F)no1	ZINC000411638205	428832404	/nfs/dbraw/zinc/83/24/04/428832404.db2.gz	BNJYKAULEKWYJC-UHFFFAOYSA-N	0	3	318.396	2.815	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)COc2ccccc2)CC1	ZINC000348786166	428838586	/nfs/dbraw/zinc/83/85/86/428838586.db2.gz	JQKQDBNMYHQQJP-MRXNPFEDSA-N	0	3	316.445	2.858	20	30		DFEDHN
C[C@@H]1CN(CCN(C)CCC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000411682321	428839958	/nfs/dbraw/zinc/83/99/58/428839958.db2.gz	FTIASMOECJGZQG-CALCHBBNSA-N	0	3	307.482	2.892	20	30		DFEDHN
C=CCOCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000354060952	428842870	/nfs/dbraw/zinc/84/28/70/428842870.db2.gz	JQPFGFFIEZQVLR-OAHLLOKOSA-N	0	3	322.474	2.840	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1c(C#N)cccc1C#N	ZINC000375518942	428906472	/nfs/dbraw/zinc/90/64/72/428906472.db2.gz	GZEAURJVGVGKHO-FHLIZLRMSA-N	0	3	324.428	2.731	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000363352826	428909025	/nfs/dbraw/zinc/90/90/25/428909025.db2.gz	PMXAZZPOCSVUQQ-BQFCYCMXSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnc(C)c1)C(C)C	ZINC000348845421	428858521	/nfs/dbraw/zinc/85/85/21/428858521.db2.gz	WALITTNHHDCNHT-KRWDZBQOSA-N	0	3	316.449	2.632	20	30		DFEDHN
CO[C@@H]1COC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000411814253	428863645	/nfs/dbraw/zinc/86/36/45/428863645.db2.gz	BPAWERYWKXJIQC-RBUKOAKNSA-N	0	3	308.381	2.729	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000359256692	428891686	/nfs/dbraw/zinc/89/16/86/428891686.db2.gz	UDROQUVYQDUNQC-HUUCEWRRSA-N	0	3	317.481	2.726	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2CCCN(Cc3cccnc3)C2)o1	ZINC000363263814	428896040	/nfs/dbraw/zinc/89/60/40/428896040.db2.gz	BWQFHINRCARGJA-MRXNPFEDSA-N	0	3	310.401	2.548	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@@H]1NCCc2ccccc21	ZINC000418194908	428897164	/nfs/dbraw/zinc/89/71/64/428897164.db2.gz	GEYNYSHOTNDMNO-INIZCTEOSA-N	0	3	314.433	2.503	20	30		DFEDHN
CC#CCN(C[C@@H](O)COc1ccccc1SC)C(C)C	ZINC000411981659	428900729	/nfs/dbraw/zinc/90/07/29/428900729.db2.gz	JCWKTWCPYAENPE-OAHLLOKOSA-N	0	3	307.459	2.882	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)Cc1ccc(C)cc1	ZINC000419339831	428932115	/nfs/dbraw/zinc/93/21/15/428932115.db2.gz	VGRJRMZSYLAWNY-INIZCTEOSA-N	0	3	315.461	2.914	20	30		DFEDHN
C=C(CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1	ZINC000359367688	428941989	/nfs/dbraw/zinc/94/19/89/428941989.db2.gz	CFXAEIJAJSKWAD-CQSZACIVSA-N	0	3	316.426	2.698	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074376	428943436	/nfs/dbraw/zinc/94/34/36/428943436.db2.gz	QZBLWLAWMRXROY-HUUCEWRRSA-N	0	3	324.465	2.511	20	30		DFEDHN
C[C@@H](N[C@H](CCO)C1CCOCC1)c1ccc(C#N)cc1F	ZINC000359388359	428951018	/nfs/dbraw/zinc/95/10/18/428951018.db2.gz	FHRZVCOQAUQYSA-SJKOYZFVSA-N	0	3	306.381	2.526	20	30		DFEDHN
C[C@@H](N[C@@H](CCO)C1CCOCC1)c1ccc(C#N)cc1F	ZINC000359388352	428951453	/nfs/dbraw/zinc/95/14/53/428951453.db2.gz	FHRZVCOQAUQYSA-PXAZEXFGSA-N	0	3	306.381	2.526	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C	ZINC000412120614	428960419	/nfs/dbraw/zinc/96/04/19/428960419.db2.gz	DRDPJYDJEUKACO-HNONPPJISA-N	0	3	311.429	2.603	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@H](O)C(F)(F)F)cc1OC	ZINC000349316792	428960995	/nfs/dbraw/zinc/96/09/95/428960995.db2.gz	OWBWUXFFRLRRAP-AWEZNQCLSA-N	0	3	319.323	2.663	20	30		DFEDHN
Cc1ccc(O)c(CN2CCN(c3ccccc3C#N)CC2)c1	ZINC000126943911	274754478	/nfs/dbraw/zinc/75/44/78/274754478.db2.gz	MUDDLKBDTCZEAN-UHFFFAOYSA-N	0	3	307.397	2.895	20	30		DFEDHN
Cn1cc(CN2CCC(CCCn3ccnc3)CC2)cc1C#N	ZINC000349358098	428969514	/nfs/dbraw/zinc/96/95/14/428969514.db2.gz	XJRQJRJQIAEUBR-UHFFFAOYSA-N	0	3	311.433	2.786	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccco1	ZINC000355089944	429027268	/nfs/dbraw/zinc/02/72/68/429027268.db2.gz	JZBUPTZMBDURCJ-GBJTYRQASA-N	0	3	318.421	2.700	20	30		DFEDHN
Cc1cc(C(C#N)=C([O-])c2ccnc3ccncc32)nc(C)n1	ZINC000355083753	429028502	/nfs/dbraw/zinc/02/85/02/429028502.db2.gz	UGODYHRYYRRTQB-CYBMUJFWSA-N	0	3	303.325	2.527	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc3ccncc32)nc(C)n1	ZINC000355083753	429028507	/nfs/dbraw/zinc/02/85/07/429028507.db2.gz	UGODYHRYYRRTQB-CYBMUJFWSA-N	0	3	303.325	2.527	20	30		DFEDHN
COc1cc2c(cc1C(=O)C(C#N)c1nc(C)cs1)OCO2	ZINC000354366123	428976736	/nfs/dbraw/zinc/97/67/36/428976736.db2.gz	GDFXRYPXQBEOQE-JTQLQIEISA-N	0	3	316.338	2.679	20	30		DFEDHN
C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000349406128	428981107	/nfs/dbraw/zinc/98/11/07/428981107.db2.gz	KGQIMHWNCVWYBV-YJBOKZPZSA-N	0	3	324.428	2.666	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000421115407	428981501	/nfs/dbraw/zinc/98/15/01/428981501.db2.gz	QCWCOKIVLXHGIR-ZDUSSCGKSA-N	0	3	320.824	2.964	20	30		DFEDHN
CN1CCC[C@H](CNc2ccncc2C#N)[C@H]1c1cccs1	ZINC000363738945	428983393	/nfs/dbraw/zinc/98/33/93/428983393.db2.gz	KBVAKCFQDMESMZ-DYVFJYSZSA-N	0	3	312.442	2.932	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1cccc(OCCCC#N)c1	ZINC000349408350	428986042	/nfs/dbraw/zinc/98/60/42/428986042.db2.gz	PPDHQWOJENZUMG-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
N#CC(C(=O)c1cc(F)cc(Br)c1)c1ccncn1	ZINC000354459228	428987127	/nfs/dbraw/zinc/98/71/27/428987127.db2.gz	DNYGUXYMTPAGDP-NSHDSACASA-N	0	3	320.121	2.868	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354467156	428988865	/nfs/dbraw/zinc/98/88/65/428988865.db2.gz	NVUKOJTUVKFXOU-CQSZACIVSA-N	0	3	308.341	2.561	20	30		DFEDHN
N#CC(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccncn1	ZINC000354459187	428988902	/nfs/dbraw/zinc/98/89/02/428988902.db2.gz	CRRFRXZMFOKMLY-ZDUSSCGKSA-N	0	3	306.300	2.896	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC2CCOCC2)cc1)c1ccncn1	ZINC000354465953	428989269	/nfs/dbraw/zinc/98/92/69/428989269.db2.gz	LTTNESVAYMIXQX-MRXNPFEDSA-N	0	3	323.352	2.524	20	30		DFEDHN
C[C@@H](CC(=O)N1CCCCCC1)NCc1ccc(C#N)s1	ZINC000421347765	428989916	/nfs/dbraw/zinc/98/99/16/428989916.db2.gz	CWOQGNWUUHWJGN-ZDUSSCGKSA-N	0	3	305.447	2.891	20	30		DFEDHN
N#CC(C(=O)c1cccc(OCC(F)(F)F)c1)c1ccncn1	ZINC000354472810	428989991	/nfs/dbraw/zinc/98/99/91/428989991.db2.gz	VGFPLBMBRPSOHA-LBPRGKRZSA-N	0	3	321.258	2.908	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@@H](O)CC[C@H]2C)ccc1OC	ZINC000421383554	428990967	/nfs/dbraw/zinc/99/09/67/428990967.db2.gz	ZHFQELYHQZJZBW-ZBFHGGJFSA-N	0	3	305.418	2.995	20	30		DFEDHN
COc1cc(C(=O)C(C#N)c2ccncn2)ccc1OC(F)F	ZINC000354475793	428991878	/nfs/dbraw/zinc/99/18/78/428991878.db2.gz	RRXSDSDZPFEDDF-SNVBAGLBSA-N	0	3	319.267	2.577	20	30		DFEDHN
C[C@@H](NCC1CCN(c2ccccc2C#N)CC1)c1ncc[nH]1	ZINC000375839140	428993101	/nfs/dbraw/zinc/99/31/01/428993101.db2.gz	LOUIXAQKCPZBBG-CQSZACIVSA-N	0	3	309.417	2.849	20	30		DFEDHN
COCCN(CCOc1ccc(C#N)cc1)[C@@H]1CCCSC1	ZINC000433203694	429010452	/nfs/dbraw/zinc/01/04/52/429010452.db2.gz	YPJYMQDPTGBOBC-MRXNPFEDSA-N	0	3	320.458	2.781	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(COCC2CC2)c1	ZINC000424105458	429090905	/nfs/dbraw/zinc/09/09/05/429090905.db2.gz	JSSXVFJKMJWTCZ-MRXNPFEDSA-N	0	3	301.390	2.573	20	30		DFEDHN
CC(C)CN(CCc1ccccc1)C(=O)[C@H](N)CCCC#N	ZINC000424096971	429091355	/nfs/dbraw/zinc/09/13/55/429091355.db2.gz	PZWRIAGMHSUTSM-QGZVFWFLSA-N	0	3	301.434	2.735	20	30		DFEDHN
CC(C)CCOc1ccccc1CNC(=O)[C@H](N)CCCC#N	ZINC000424116130	429092323	/nfs/dbraw/zinc/09/23/23/429092323.db2.gz	WWHHWCUHCGAGJR-MRXNPFEDSA-N	0	3	317.433	2.749	20	30		DFEDHN
CCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424130389	429095765	/nfs/dbraw/zinc/09/57/65/429095765.db2.gz	ZFPXZSCRRHNTRB-CABCVRRESA-N	0	3	309.360	2.943	20	30		DFEDHN
CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](N)CCCC#N	ZINC000424129074	429096209	/nfs/dbraw/zinc/09/62/09/429096209.db2.gz	SFUUINNVKYHAMZ-HOCLYGCPSA-N	0	3	317.433	2.810	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1	ZINC000452048816	429044332	/nfs/dbraw/zinc/04/43/32/429044332.db2.gz	RDSJZGJWIOIIPU-MVCWPVRBSA-N	0	3	317.477	2.797	20	30		DFEDHN
CC(=O)CN(CC(C)C)C(=O)C(C#N)CCc1ccccc1	ZINC000421915753	429045437	/nfs/dbraw/zinc/04/54/37/429045437.db2.gz	IDTMIRNYNHAWGK-KRWDZBQOSA-N	0	3	300.402	2.833	20	30		DFEDHN
CC[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000421971881	429047418	/nfs/dbraw/zinc/04/74/18/429047418.db2.gz	BILYKYQICWRBFI-YESZJQIVSA-N	0	3	300.402	2.833	20	30		DFEDHN
C=CCOc1ccc(CN(CCO)[C@@H]2CCCSC2)cc1	ZINC000355486397	429049603	/nfs/dbraw/zinc/04/96/03/429049603.db2.gz	OCQUFEJXEXAZJM-MRXNPFEDSA-N	0	3	307.459	2.941	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C	ZINC000433839048	429055594	/nfs/dbraw/zinc/05/55/94/429055594.db2.gz	NZEOHMFCPFQAAR-OCCSQVGLSA-N	0	3	317.437	2.719	20	30		DFEDHN
Cc1cc(C#N)cc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)n1	ZINC000376172502	429070017	/nfs/dbraw/zinc/07/00/17/429070017.db2.gz	NACOWIZBPUZHNA-IAOVAPTHSA-N	0	3	314.433	2.563	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)N(C)C)cc1	ZINC000452169664	429074615	/nfs/dbraw/zinc/07/46/15/429074615.db2.gz	OUQWCXQFCLMPFP-ISTRZQFTSA-N	0	3	317.458	2.677	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1	ZINC000424004546	429075367	/nfs/dbraw/zinc/07/53/67/429075367.db2.gz	BJRIIKXMRAVOMB-DLBZAZTESA-N	0	3	302.393	2.847	20	30		DFEDHN
C[C@H](C(=O)N1CCN(C2CC2)C[C@H](C)C1)c1cccc(C#N)c1	ZINC000452169858	429077931	/nfs/dbraw/zinc/07/79/31/429077931.db2.gz	GPLDXKDXSCYFKJ-GJZGRUSLSA-N	0	3	311.429	2.604	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Br)c1	ZINC000424083926	429088652	/nfs/dbraw/zinc/08/86/52/429088652.db2.gz	BNVZMIODQRIFIP-MFKMUULPSA-N	0	3	324.222	2.647	20	30		DFEDHN
Cc1cc(N(C)C[C@H]2CCCN(C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413131337	429143615	/nfs/dbraw/zinc/14/36/15/429143615.db2.gz	APYYSMALHAMJLT-ZDUSSCGKSA-N	0	3	302.378	2.553	20	30		DFEDHN
C=CCC[C@@H](CC)N1CCC(C(=O)OCC)([S@@](C)=O)CC1	ZINC000453290742	429147231	/nfs/dbraw/zinc/14/72/31/429147231.db2.gz	UWSMLNMAZPCPJO-SPLOXXLWSA-N	0	3	315.479	2.507	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000424503007	429147692	/nfs/dbraw/zinc/14/76/92/429147692.db2.gz	AXCFUINVVAMOOM-RANZSIQMSA-N	0	3	316.445	2.775	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC([C@H]3CCCOC3)CC2)cc1	ZINC000374847892	274926029	/nfs/dbraw/zinc/92/60/29/274926029.db2.gz	UASXSSNTMNVILH-OALUTQOASA-N	0	3	314.429	2.730	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(Cc2ccccc2F)CC1	ZINC000424142330	429099379	/nfs/dbraw/zinc/09/93/79/429099379.db2.gz	PKBOPNKBKIEWOE-QGZVFWFLSA-N	0	3	317.408	2.628	20	30		DFEDHN
Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](N)CCCC#N	ZINC000424165514	429102729	/nfs/dbraw/zinc/10/27/29/429102729.db2.gz	DVJUITLYXOUFKP-CYBMUJFWSA-N	0	3	313.323	2.651	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(-c2cccnc2)cc1	ZINC000424158551	429102755	/nfs/dbraw/zinc/10/27/55/429102755.db2.gz	TVAAOKDUPPXOLH-KDOFPFPSSA-N	0	3	322.412	2.947	20	30		DFEDHN
CC(C)(C)c1cccc2c1OCCN2C(=O)[C@H](N)CCCC#N	ZINC000424187464	429106220	/nfs/dbraw/zinc/10/62/20/429106220.db2.gz	IYJXUIKJLRMQOB-CQSZACIVSA-N	0	3	315.417	2.731	20	30		DFEDHN
CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](N)CCCC#N)CCC2	ZINC000424176757	429106438	/nfs/dbraw/zinc/10/64/38/429106438.db2.gz	SPCFYOLPDPUMMB-YPMHNXCESA-N	0	3	320.462	2.562	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CN(C(C)C)CC2	ZINC000424179545	429107461	/nfs/dbraw/zinc/10/74/61/429107461.db2.gz	YVBWIZSMQPNCRM-ZFWWWQNUSA-N	0	3	321.490	2.590	20	30		DFEDHN
CC(C)C[C@H](CNCc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C	ZINC000424186511	429107578	/nfs/dbraw/zinc/10/75/78/429107578.db2.gz	IEPXYXUPFRVMAJ-OAHLLOKOSA-N	0	3	319.449	2.990	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000435048889	429121317	/nfs/dbraw/zinc/12/13/17/429121317.db2.gz	KQPRPJNOCNCPPE-HNNXBMFYSA-N	0	3	311.429	2.580	20	30		DFEDHN
COC(=O)COc1ccccc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1	ZINC000424325437	429126962	/nfs/dbraw/zinc/12/69/62/429126962.db2.gz	KUNOILUEXINYMT-HZSPNIEDSA-N	0	3	302.374	2.581	20	30		DFEDHN
N#Cc1cnc(NCCCN2CCc3ccccc3C2)c(F)c1	ZINC000413048134	429127725	/nfs/dbraw/zinc/12/77/25/429127725.db2.gz	HUCHHOBVMAIGSX-UHFFFAOYSA-N	0	3	310.376	2.953	20	30		DFEDHN
Cc1ccnc(Nc2cnn(CCN3CCCCC3)c2)c1C#N	ZINC000376548207	429133789	/nfs/dbraw/zinc/13/37/89/429133789.db2.gz	NZFUWIKLFIDQLX-UHFFFAOYSA-N	0	3	310.405	2.688	20	30		DFEDHN
Cc1cc(CN)cc(NC(=O)N(CCC#N)Cc2ccco2)c1	ZINC000424441288	429141181	/nfs/dbraw/zinc/14/11/81/429141181.db2.gz	WRBMWHLNEBUSRF-UHFFFAOYSA-N	0	3	312.373	2.995	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1C#N	ZINC000487889346	429171825	/nfs/dbraw/zinc/17/18/25/429171825.db2.gz	OXJYCKCMJWCMQA-GOSISDBHSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=C(CC)CNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000454921546	429175967	/nfs/dbraw/zinc/17/59/67/429175967.db2.gz	JBGDRZYJGRWMDB-UHFFFAOYSA-N	0	3	305.426	2.546	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000454956936	429176775	/nfs/dbraw/zinc/17/67/75/429176775.db2.gz	HUMNSONLCUROAE-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000424722198	429181991	/nfs/dbraw/zinc/18/19/91/429181991.db2.gz	NHRGOQBUILYIRY-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1	ZINC000455477739	429189468	/nfs/dbraw/zinc/18/94/68/429189468.db2.gz	LDGZKAUDCHYGGB-QGZVFWFLSA-N	0	3	313.445	2.727	20	30		DFEDHN
CC(=O)c1ccc(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1	ZINC000488717953	429190590	/nfs/dbraw/zinc/19/05/90/429190590.db2.gz	FNJMRKCNPKTVMI-SUNYJGFJSA-N	0	3	311.429	2.927	20	30		DFEDHN
C=CCC1(NC(=O)Nc2ccnn2CCN(C)C)CCCCC1	ZINC000455644455	429193446	/nfs/dbraw/zinc/19/34/46/429193446.db2.gz	GBEOBLHTGGPEMS-UHFFFAOYSA-N	0	3	319.453	2.845	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C	ZINC000455776282	429211338	/nfs/dbraw/zinc/21/13/38/429211338.db2.gz	DZTIKGMVOCAIMO-CMPLNLGQSA-N	0	3	321.812	2.553	20	30		DFEDHN
C=CCn1cccc1C(=O)N(CCN(C)C)Cc1cccs1	ZINC000489029215	429215398	/nfs/dbraw/zinc/21/53/98/429215398.db2.gz	TVYGQWVICYVPPT-UHFFFAOYSA-N	0	3	317.458	2.940	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CC#N)c2)CCN1C	ZINC000455924711	429225132	/nfs/dbraw/zinc/22/51/32/429225132.db2.gz	WMRYEOIJCKOQJR-BBRMVZONSA-N	0	3	300.406	2.699	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@@H](O)Cc2ccccc2)ccc1C#N	ZINC000440633350	429225845	/nfs/dbraw/zinc/22/58/45/429225845.db2.gz	DWCVQIWTWMHODI-KDOFPFPSSA-N	0	3	310.397	2.649	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)NCC1CCC(C#N)CC1	ZINC000441022145	429229911	/nfs/dbraw/zinc/22/99/11/429229911.db2.gz	LZUWMDMALFLTQE-GPANFISMSA-N	0	3	308.470	2.592	20	30		DFEDHN
N#CCCCNC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000441015611	429230187	/nfs/dbraw/zinc/23/01/87/429230187.db2.gz	ZARXIUFQGWVUPT-UHFFFAOYSA-N	0	3	306.454	2.636	20	30		DFEDHN
C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC(C)CC1	ZINC000441008477	429230200	/nfs/dbraw/zinc/23/02/00/429230200.db2.gz	YUOCFMUCQZJKLR-GTPINHCMSA-N	0	3	320.481	2.736	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(C[C@H]1CCCO1)C1CCCC1	ZINC000441474198	429231384	/nfs/dbraw/zinc/23/13/84/429231384.db2.gz	QDARPUPAHQXPTG-QGZVFWFLSA-N	0	3	306.450	2.611	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000488808310	429200894	/nfs/dbraw/zinc/20/08/94/429200894.db2.gz	YRHVPEVJSRIXQP-WMZOPIPTSA-N	0	3	309.413	2.849	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000488882871	429203627	/nfs/dbraw/zinc/20/36/27/429203627.db2.gz	XYDTWQBLVFVFMO-INIZCTEOSA-N	0	3	301.434	2.765	20	30		DFEDHN
Cc1cc(C)n(C[C@@H]2CCCCN2Cc2cc(C#N)n(C)c2)n1	ZINC000365235416	429284466	/nfs/dbraw/zinc/28/44/66/429284466.db2.gz	VJTITKTZWMQGAN-KRWDZBQOSA-N	0	3	311.433	2.765	20	30		DFEDHN
N#C[C@@H]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)C1	ZINC000442856340	429239492	/nfs/dbraw/zinc/23/94/92/429239492.db2.gz	DEBBSAYQQBONEF-AEFFLSMTSA-N	0	3	313.445	2.995	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1	ZINC000489441086	429241534	/nfs/dbraw/zinc/24/15/34/429241534.db2.gz	DAHJSYQUXMKMCP-DLBZAZTESA-N	0	3	305.418	2.613	20	30		DFEDHN
C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCCO1	ZINC000364651558	429241587	/nfs/dbraw/zinc/24/15/87/429241587.db2.gz	QKZKVZSDEIUUIZ-SUMWQHHRSA-N	0	3	310.401	2.616	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COCc1cccc(OC)c1	ZINC000489441088	429241961	/nfs/dbraw/zinc/24/19/61/429241961.db2.gz	DAHJSYQUXMKMCP-IRXDYDNUSA-N	0	3	305.418	2.613	20	30		DFEDHN
C=CCCCN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495667909	429242530	/nfs/dbraw/zinc/24/25/30/429242530.db2.gz	FALHKQBGRRJGJM-LSDHHAIUSA-N	0	3	310.438	2.663	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COCc1ccc(OC)cc1	ZINC000489439695	429243160	/nfs/dbraw/zinc/24/31/60/429243160.db2.gz	ZLXOQBRQONJUTK-SJORKVTESA-N	0	3	305.418	2.613	20	30		DFEDHN
C=C(Cl)CN[C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C	ZINC000495690263	429247003	/nfs/dbraw/zinc/24/70/03/429247003.db2.gz	XCGKBAPUVVWBRD-RWMBFGLXSA-N	0	3	318.845	2.647	20	30		DFEDHN
C[C@@H](c1ccncc1)N1CCC(Nc2cnccc2C#N)CC1	ZINC000425244935	429251360	/nfs/dbraw/zinc/25/13/60/429251360.db2.gz	VYAZCUGFKBHWSV-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=CCn1cc(CNc2ccnc3ccc(CCC)cc32)nn1	ZINC000425265382	429254290	/nfs/dbraw/zinc/25/42/90/429254290.db2.gz	VCSOWBSPIUIGGD-UHFFFAOYSA-N	0	3	307.401	2.999	20	30		DFEDHN
COCC(C)(C)N1CCN(c2ccc(C#N)c(Cl)c2)CC1	ZINC000425281119	429256983	/nfs/dbraw/zinc/25/69/83/429256983.db2.gz	PCBXGLDUXQOEBY-UHFFFAOYSA-N	0	3	307.825	2.759	20	30		DFEDHN
CCNC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1	ZINC000443986878	429259189	/nfs/dbraw/zinc/25/91/89/429259189.db2.gz	GFVZYNXNFUNJRL-UHFFFAOYSA-N	0	3	307.397	2.906	20	30		DFEDHN
Cc1cc(CNCCn2c3ccccc3[nH]c2=O)ccc1C#N	ZINC000444004318	429261932	/nfs/dbraw/zinc/26/19/32/429261932.db2.gz	XETRMYAUHBPGAT-UHFFFAOYSA-N	0	3	306.369	2.712	20	30		DFEDHN
C=CCCCN1CCN(c2ccccc2OCCOC)CC1	ZINC000489902688	429267548	/nfs/dbraw/zinc/26/75/48/429267548.db2.gz	VWDMPWAKUBBSLP-UHFFFAOYSA-N	0	3	304.434	2.800	20	30		DFEDHN
C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1NC(=O)OC(C)(C)C	ZINC000495796388	429268152	/nfs/dbraw/zinc/26/81/52/429268152.db2.gz	VJPLMOYDHXZDCZ-LXTVHRRPSA-N	0	3	307.438	2.914	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCc2c1ccc(F)c2Br	ZINC000456281797	429270439	/nfs/dbraw/zinc/27/04/39/429270439.db2.gz	WCAYERAILCVUHD-CPCISQLKSA-N	0	3	311.154	2.851	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)NC(=O)NC(C)(C)C)CCCC1(C)C	ZINC000444795141	429277149	/nfs/dbraw/zinc/27/71/49/429277149.db2.gz	XIROZDKYDNKJGK-ZDUSSCGKSA-N	0	3	309.454	2.677	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCCCC1	ZINC000448977700	429321507	/nfs/dbraw/zinc/32/15/07/429321507.db2.gz	ZNEMAZFSQWJJAC-QGZVFWFLSA-N	0	3	321.509	2.655	20	30		DFEDHN
CO[C@@H]([C@@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000456560332	429323667	/nfs/dbraw/zinc/32/36/67/429323667.db2.gz	LGJBSJYSJRKKAA-XYPHTWIQSA-N	0	3	300.402	2.689	20	30		DFEDHN
C#C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000491095439	429323893	/nfs/dbraw/zinc/32/38/93/429323893.db2.gz	KWONNGJPVPEMLL-OAHLLOKOSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(C(F)F)cc2)CC1	ZINC000491104082	429324028	/nfs/dbraw/zinc/32/40/28/429324028.db2.gz	RKZTWYUZHPLJME-UHFFFAOYSA-N	0	3	306.356	2.586	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000491127328	429327914	/nfs/dbraw/zinc/32/79/14/429327914.db2.gz	WIAFQPACCNDGJX-JHJVBQTASA-N	0	3	318.383	2.813	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000491155165	429329805	/nfs/dbraw/zinc/32/98/05/429329805.db2.gz	OYVSMPMDILOPEQ-UHFFFAOYSA-N	0	3	324.346	2.667	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000507267375	429347789	/nfs/dbraw/zinc/34/77/89/429347789.db2.gz	LURMONRLXMCJPF-BFVZDQMLSA-N	0	3	323.849	2.880	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	ZINC000490575214	429294668	/nfs/dbraw/zinc/29/46/68/429294668.db2.gz	ONDTZYBVWLXGDX-RYQLBKOJSA-N	0	3	302.462	2.807	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000446591206	429299457	/nfs/dbraw/zinc/29/94/57/429299457.db2.gz	RHGAREOQEJTHHB-ZBFHGGJFSA-N	0	3	300.406	2.604	20	30		DFEDHN
N#Cc1csc(CN[C@H](COC(N)=O)Cc2ccccc2)c1	ZINC000495989527	429302444	/nfs/dbraw/zinc/30/24/44/429302444.db2.gz	KCZOUQVMSSWBMC-AWEZNQCLSA-N	0	3	315.398	2.830	20	30		DFEDHN
C#CCN(C[C@H](O)CCOC(C)C)[C@H]1CCc2ccccc21	ZINC000490740865	429304460	/nfs/dbraw/zinc/30/44/60/429304460.db2.gz	OFDQYIQMGZUQSB-MJGOQNOKSA-N	0	3	301.430	2.785	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC[C@@H](C#N)CCC#N)C1	ZINC000496170448	429311862	/nfs/dbraw/zinc/31/18/62/429311862.db2.gz	KGDZBAYYZAJWJG-KFWWJZLASA-N	0	3	320.437	2.713	20	30		DFEDHN
C=CCC1(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CCCC1	ZINC000456483104	429314070	/nfs/dbraw/zinc/31/40/70/429314070.db2.gz	GFAOVENNEALEAM-KRWDZBQOSA-N	0	3	320.477	2.883	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@]2(C)CCCc3ccccc32)CC1	ZINC000490950430	429315158	/nfs/dbraw/zinc/31/51/58/429315158.db2.gz	QPWMAJLSOUSORE-FQEVSTJZSA-N	0	3	310.441	2.700	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1	ZINC000448773812	429317090	/nfs/dbraw/zinc/31/70/90/429317090.db2.gz	WLADYRPAGSQXCM-YJBOKZPZSA-N	0	3	303.450	2.651	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000491707587	429393480	/nfs/dbraw/zinc/39/34/80/429393480.db2.gz	YKFJJOCYGLLFFF-LZWOXQAQSA-N	0	3	319.474	2.842	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000491718888	429396993	/nfs/dbraw/zinc/39/69/93/429396993.db2.gz	WXTXVHKPFUTOHR-CRAIPNDOSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1cc2cccc(OCC)c2o1	ZINC000491744493	429400214	/nfs/dbraw/zinc/40/02/14/429400214.db2.gz	JEEYHQBRVOOYRA-ZDUSSCGKSA-N	0	3	314.385	2.622	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000491752389	429404456	/nfs/dbraw/zinc/40/44/56/429404456.db2.gz	WIJYVKJYMDMKTO-RDJZCZTQSA-N	0	3	301.434	2.651	20	30		DFEDHN
COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000425929795	429353099	/nfs/dbraw/zinc/35/30/99/429353099.db2.gz	YGALDLFOXQRXPH-CYBMUJFWSA-N	0	3	306.381	2.791	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](CO)[C@H]2C)ccc1OC	ZINC000425962961	429355616	/nfs/dbraw/zinc/35/56/16/429355616.db2.gz	JYGLTWLTDGGATK-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@H](Cc1ccoc1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000449230544	429363748	/nfs/dbraw/zinc/36/37/48/429363748.db2.gz	KYMKTRHJMJRBTA-KDOFPFPSSA-N	0	3	323.396	2.867	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@@H](CC(F)F)c1ccccc1	ZINC000491506992	429366858	/nfs/dbraw/zinc/36/68/58/429366858.db2.gz	SIVPDFACLSDKTR-HNNXBMFYSA-N	0	3	323.387	2.637	20	30		DFEDHN
Cn1cc([C@H]2CN(CCOc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000516384496	429380936	/nfs/dbraw/zinc/38/09/36/429380936.db2.gz	NFBKKVVHHLSNFO-GOSISDBHSA-N	0	3	324.428	2.796	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000491632206	429381742	/nfs/dbraw/zinc/38/17/42/429381742.db2.gz	QQKRFICIASQRLD-GJZGRUSLSA-N	0	3	319.474	2.623	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](CNC[C@H](C#N)CCC#N)C1	ZINC000516645298	429382492	/nfs/dbraw/zinc/38/24/92/429382492.db2.gz	SXNNOYXQXSWGML-HOTGVXAUSA-N	0	3	312.417	2.555	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(O)(Cc2ccccc2F)CC1	ZINC000365836460	429383141	/nfs/dbraw/zinc/38/31/41/429383141.db2.gz	ILKNERIDCOTFOW-INIZCTEOSA-N	0	3	307.409	2.522	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN(C)C1	ZINC000517088868	429386944	/nfs/dbraw/zinc/38/69/44/429386944.db2.gz	RGHCWJFDSHWCTQ-QZTJIDSGSA-N	0	3	315.461	2.815	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccncc1F	ZINC000449322140	429388160	/nfs/dbraw/zinc/38/81/60/429388160.db2.gz	WFWVSEDUROLZCJ-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000491668494	429389018	/nfs/dbraw/zinc/38/90/18/429389018.db2.gz	YQEWLOTTZBUJLZ-LZLYRXPVSA-N	0	3	313.445	2.703	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc(OC[C@H]2CCCO2)cc1	ZINC000449518405	429441341	/nfs/dbraw/zinc/44/13/41/429441341.db2.gz	JNIGDOOMAAIGIG-KURKYZTESA-N	0	3	303.402	2.678	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC([C@H]3CCOC3)C2)c1	ZINC000366253366	429442465	/nfs/dbraw/zinc/44/24/65/429442465.db2.gz	VKJJBVANGTVUFH-INIZCTEOSA-N	0	3	300.402	2.837	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N1CCCC[C@H]1C	ZINC000457443445	429465995	/nfs/dbraw/zinc/46/59/95/429465995.db2.gz	NHPDNYNMYJSQEW-QBPKDAKJSA-N	0	3	308.466	2.737	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000491808699	429411904	/nfs/dbraw/zinc/41/19/04/429411904.db2.gz	FEGGSFPKYBOOSW-QGZVFWFLSA-N	0	3	301.434	2.692	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491814000	429414314	/nfs/dbraw/zinc/41/43/14/429414314.db2.gz	CAPHXQGXPOHMSI-BONVTDFDSA-N	0	3	308.784	2.658	20	30		DFEDHN
Cc1nn(C)cc1[C@@H]1CCCN1CCOc1cccc(C#N)c1	ZINC000366092952	429416622	/nfs/dbraw/zinc/41/66/22/429416622.db2.gz	GQLOSIFQYLCKGU-SFHVURJKSA-N	0	3	310.401	2.816	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl	ZINC000491840294	429416599	/nfs/dbraw/zinc/41/65/99/429416599.db2.gz	ATISMSNGMDRUMD-KMSCOEIWSA-N	0	3	312.200	2.792	20	30		DFEDHN
CN(C)C/C=C\C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	ZINC000491842623	429419689	/nfs/dbraw/zinc/41/96/89/429419689.db2.gz	FGRITWFEYBQOBI-KMSCOEIWSA-N	0	3	312.200	2.792	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000491938638	429437897	/nfs/dbraw/zinc/43/78/97/429437897.db2.gz	MEEBLGICYDARSU-CMDGGOBGSA-N	0	3	316.832	2.957	20	30		DFEDHN
CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1n1cccn1	ZINC000449657225	429472654	/nfs/dbraw/zinc/47/26/54/429472654.db2.gz	ODHIZUNOFADQTG-NPJQDHAYSA-N	0	3	302.422	2.662	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000519631183	429473285	/nfs/dbraw/zinc/47/32/85/429473285.db2.gz	ZNFUNRXBBWUDLG-DLBZAZTESA-N	0	3	311.429	2.652	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cccc(Br)c1OC	ZINC000449696309	429483314	/nfs/dbraw/zinc/48/33/14/429483314.db2.gz	HQAJWSQYAWSLGJ-GFCCVEGCSA-N	0	3	314.223	2.874	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1	ZINC000449694744	429483537	/nfs/dbraw/zinc/48/35/37/429483537.db2.gz	CHILFSSRWLIMJZ-WFASDCNBSA-N	0	3	306.406	2.631	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C12CCCN1CCC2	ZINC000520201472	429503256	/nfs/dbraw/zinc/50/32/56/429503256.db2.gz	RCYLAESQONNBBK-QGZVFWFLSA-N	0	3	309.413	2.680	20	30		DFEDHN
C=CCNC(=O)CNCC(Cc1ccccc1)Cc1ccccc1	ZINC000520558400	429519595	/nfs/dbraw/zinc/51/95/95/429519595.db2.gz	BPUYWGIHBMSTNL-UHFFFAOYSA-N	0	3	322.452	2.980	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN(CCCOC)CC2)CCCC1	ZINC000449830650	429520149	/nfs/dbraw/zinc/52/01/49/429520149.db2.gz	YVUYZGCJPIFGLT-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1[C@H]1CCCO1	ZINC000366969516	429548707	/nfs/dbraw/zinc/54/87/07/429548707.db2.gz	MCHXMGHJECXKAD-ZIAGYGMSSA-N	0	3	319.430	2.592	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1	ZINC000366986335	429553036	/nfs/dbraw/zinc/55/30/36/429553036.db2.gz	HLDCSBSBBZAVLT-GOSISDBHSA-N	0	3	311.429	2.843	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCOCC2	ZINC000367024339	429560683	/nfs/dbraw/zinc/56/06/83/429560683.db2.gz	YCGFVOSROKDGNY-ZWKOTPCHSA-N	0	3	317.404	2.741	20	30		DFEDHN
C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC[C@H]1C	ZINC000450258154	429587388	/nfs/dbraw/zinc/58/73/88/429587388.db2.gz	PFKAJLHXNYWLKM-NEPJUHHUSA-N	0	3	303.366	2.536	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000522288900	429587800	/nfs/dbraw/zinc/58/78/00/429587800.db2.gz	BFQXHIKIHRUNOR-QGZVFWFLSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=CCC1(NC(=O)NCCCN(C)CCOC)CCCCC1	ZINC000457811875	429533338	/nfs/dbraw/zinc/53/33/38/429533338.db2.gz	OUSMCGOKLQNUIE-UHFFFAOYSA-N	0	3	311.470	2.533	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(C)n2)CC1	ZINC000458323190	429620922	/nfs/dbraw/zinc/62/09/22/429620922.db2.gz	PYFLHLPBKSOXHH-UHFFFAOYSA-N	0	3	316.449	2.572	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450274540	429591174	/nfs/dbraw/zinc/59/11/74/429591174.db2.gz	KLVZLDCRYWVASF-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN(CCCC1(C#N)CCOCC1)[C@H]1CCCc2c1cnn2C	ZINC000367201485	429596045	/nfs/dbraw/zinc/59/60/45/429596045.db2.gz	SXAXLLYGJAPFKR-INIZCTEOSA-N	0	3	316.449	2.830	20	30		DFEDHN
Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1	ZINC000367225288	429600576	/nfs/dbraw/zinc/60/05/76/429600576.db2.gz	BMMQZRURJIDEIL-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
Cc1ccc([O-])c(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1	ZINC000367225288	429600579	/nfs/dbraw/zinc/60/05/79/429600579.db2.gz	BMMQZRURJIDEIL-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(C)c1	ZINC000458215849	429602701	/nfs/dbraw/zinc/60/27/01/429602701.db2.gz	PROWHUBSNHTFGA-KRWDZBQOSA-N	0	3	303.406	2.814	20	30		DFEDHN
Cc1nsc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C#N	ZINC000459572213	429699736	/nfs/dbraw/zinc/69/97/36/429699736.db2.gz	TYICZAUDLZAYRR-LBPRGKRZSA-N	0	3	321.450	2.565	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCCN(Cc3ccccc3C)CC2)n1	ZINC000367645152	429692428	/nfs/dbraw/zinc/69/24/28/429692428.db2.gz	PEYQNDLOLJBOMA-UHFFFAOYSA-N	0	3	321.428	2.677	20	30		DFEDHN
Cc1ccc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)nc1C#N	ZINC000468726424	429710176	/nfs/dbraw/zinc/71/01/76/429710176.db2.gz	SCDZJXSWGNPDEK-DOTOQJQBSA-N	0	3	306.413	3.509	20	30		DFEDHN
C=CCCCCCCNC(=O)[C@H]1CCCN1C1CCOCC1	ZINC000367794341	429717966	/nfs/dbraw/zinc/71/79/66/429717966.db2.gz	RULYCEGQGXAUDT-QGZVFWFLSA-N	0	3	308.466	2.883	20	30		DFEDHN
N#CC1(NC(=O)CNC2(c3ccccc3)CCCCC2)CCC1	ZINC000527128249	429726501	/nfs/dbraw/zinc/72/65/01/429726501.db2.gz	DTOPOPWNOADHMZ-UHFFFAOYSA-N	0	3	311.429	2.998	20	30		DFEDHN
C=CCN(CC(=O)NC(=O)NC(C)(C)C)CC1CCCCC1	ZINC000484492710	429741184	/nfs/dbraw/zinc/74/11/84/429741184.db2.gz	VRGFDZGDVGBANH-UHFFFAOYSA-N	0	3	309.454	2.679	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C#N)n1C)N(C)C	ZINC000451272878	429801097	/nfs/dbraw/zinc/80/10/97/429801097.db2.gz	VIHGMFLOOKBHHX-KSSFIOAISA-N	0	3	324.428	2.626	20	30		DFEDHN
COc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cn1	ZINC000527809571	429801916	/nfs/dbraw/zinc/80/19/16/429801916.db2.gz	KZWGMLVQXAUEOV-UHFFFAOYSA-N	0	3	323.396	2.757	20	30		DFEDHN
N#Cc1ncccc1NC[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000368183455	429804259	/nfs/dbraw/zinc/80/42/59/429804259.db2.gz	GYKCCGVMRMUJAU-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
O[C@@H]1C[C@@H]([C@@H]2CCCOC2)N(CC#Cc2ccc(Cl)cc2)C1	ZINC000451293272	429804405	/nfs/dbraw/zinc/80/44/05/429804405.db2.gz	AYVVGRGCRXFNQU-NXHRZFHOSA-N	0	3	319.832	2.553	20	30		DFEDHN
C=CCOc1cccc(CNCC(C)(C)C(=O)N2CCCC2)c1	ZINC000527811840	429804652	/nfs/dbraw/zinc/80/46/52/429804652.db2.gz	SCKLVUKTRDRRHG-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccc(F)c(C)c2)CC1	ZINC000493461931	429768505	/nfs/dbraw/zinc/76/85/05/429768505.db2.gz	VXESYYSPBSKMKQ-VURMDHGXSA-N	0	3	314.404	2.751	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000451525864	429841351	/nfs/dbraw/zinc/84/13/51/429841351.db2.gz	BLSRUCLKGZKOLS-OAGGEKHMSA-N	0	3	322.836	2.650	20	30		DFEDHN
Cc1ccnc(N2CC[C@H](N(C)Cc3ccccc3)C2)c1C#N	ZINC000368429866	429847659	/nfs/dbraw/zinc/84/76/59/429847659.db2.gz	QWGVQSHWBMJDLE-KRWDZBQOSA-N	0	3	306.413	2.972	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@H](OC)C(C)(C)C1	ZINC000451547720	429850185	/nfs/dbraw/zinc/85/01/85/429850185.db2.gz	DEOCTWLMZZRVBV-QGZVFWFLSA-N	0	3	318.417	2.693	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)nn1	ZINC000528117531	429850656	/nfs/dbraw/zinc/85/06/56/429850656.db2.gz	VWMNNHUXFKBOHK-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000528129417	429851351	/nfs/dbraw/zinc/85/13/51/429851351.db2.gz	ZYCDODAJZPGVBG-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000493963525	429851565	/nfs/dbraw/zinc/85/15/65/429851565.db2.gz	NIESTBKXTLOUDY-CYBMUJFWSA-N	0	3	323.437	2.784	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](CC(C)C)c1ccccc1	ZINC000451594726	429859350	/nfs/dbraw/zinc/85/93/50/429859350.db2.gz	BVGOOGQJPIDHQO-KURKYZTESA-N	0	3	316.445	2.823	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C	ZINC000451595209	429859657	/nfs/dbraw/zinc/85/96/57/429859657.db2.gz	CSHAVLCVSTXERQ-XHSDSOJGSA-N	0	3	302.418	2.872	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(OC(F)F)c1	ZINC000494493581	429877023	/nfs/dbraw/zinc/87/70/23/429877023.db2.gz	NRDPQHPFGLWQCX-DZGCQCFKSA-N	0	3	308.328	2.817	20	30		DFEDHN
CC1(C)CC[C@H](N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1	ZINC000368633315	429880369	/nfs/dbraw/zinc/88/03/69/429880369.db2.gz	QPZBZYVBIHSRIV-NJSLBKSFSA-N	0	3	309.413	2.911	20	30		DFEDHN
N#Cc1ncccc1N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000368675605	429885752	/nfs/dbraw/zinc/88/57/52/429885752.db2.gz	LVPUKTGRIWWZGI-VQIMIIECSA-N	0	3	304.397	2.664	20	30		DFEDHN
Cc1cccc(NC2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)c1	ZINC000528414590	429886870	/nfs/dbraw/zinc/88/68/70/429886870.db2.gz	DUUJZIXFUOBLEW-SFHVURJKSA-N	0	3	313.445	2.926	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2Cc3c2cccc3Cl)CC1	ZINC000528447897	429889952	/nfs/dbraw/zinc/88/99/52/429889952.db2.gz	IMEQDGWFFOIMEM-HNNXBMFYSA-N	0	3	304.821	2.746	20	30		DFEDHN
C=CCN(C(=O)NC(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000368925578	429902283	/nfs/dbraw/zinc/90/22/83/429902283.db2.gz	TUZDOPUWJGHDMR-KRWDZBQOSA-N	0	3	301.434	2.867	20	30		DFEDHN
Cn1cc(CN2CC[C@H](n3cc4ccccc4n3)C2)cc1C#N	ZINC000368995599	429906482	/nfs/dbraw/zinc/90/64/82/429906482.db2.gz	SMNBDELETXSNDL-INIZCTEOSA-N	0	3	305.385	2.693	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528783083	429915562	/nfs/dbraw/zinc/91/55/62/429915562.db2.gz	FYWSVDFNXWQHED-ZMPRRUGASA-N	0	3	316.470	2.973	20	30		DFEDHN
C#CCN1CCC([C@H]2CCCCCN2C(=O)NC(C)C)CC1	ZINC000369153404	429916480	/nfs/dbraw/zinc/91/64/80/429916480.db2.gz	CMECFLBPSSKIBJ-QGZVFWFLSA-N	0	3	305.466	2.694	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCC(F)(F)CC2)CC1	ZINC000636743064	429925232	/nfs/dbraw/zinc/92/52/32/429925232.db2.gz	ULCQXSIXASYTBB-UHFFFAOYSA-N	0	3	315.408	2.858	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(Cc3cccs3)C2)CC1	ZINC000636740893	429925422	/nfs/dbraw/zinc/92/54/22/429925422.db2.gz	SCBSCZIQVJMPLJ-UHFFFAOYSA-N	0	3	319.474	2.582	20	30		DFEDHN
COc1cccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CC2)c1	ZINC000528340498	429876519	/nfs/dbraw/zinc/87/65/19/429876519.db2.gz	TXZHSJHAOANLDM-NVXWUHKLSA-N	0	3	300.402	2.887	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000573563982	429962178	/nfs/dbraw/zinc/96/21/78/429962178.db2.gz	ASKWHGLGQXIWAY-UHFFFAOYSA-N	0	3	311.429	2.846	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(c3ncccc3F)C1)CC2	ZINC000558497731	429975339	/nfs/dbraw/zinc/97/53/39/429975339.db2.gz	CNEUXHOMXBWMMS-CRAIPNDOSA-N	0	3	322.387	2.948	20	30		DFEDHN
N#CC(C(=O)C1CCc2ccccc2CC1)C(=O)N1CCCC1	ZINC000528917303	429932770	/nfs/dbraw/zinc/93/27/70/429932770.db2.gz	SXDNGXRQTWTYST-QGZVFWFLSA-N	0	3	310.397	2.513	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CNC2(CO)Cc3ccccc3C2)cc1	ZINC000369377367	429935220	/nfs/dbraw/zinc/93/52/20/429935220.db2.gz	KCNNNDRCGFUHQW-OAHLLOKOSA-N	0	3	322.408	2.597	20	30		DFEDHN
CCc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC1CC1	ZINC000528919980	429935369	/nfs/dbraw/zinc/93/53/69/429935369.db2.gz	ODLTVHNHIAXLNF-CQSZACIVSA-N	0	3	310.353	2.525	20	30		DFEDHN
N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528928899	429935984	/nfs/dbraw/zinc/93/59/84/429935984.db2.gz	PYUVWMMXALJKTR-XQQFMLRXSA-N	0	3	311.366	2.594	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000639663762	429936774	/nfs/dbraw/zinc/93/67/74/429936774.db2.gz	FNDHYUMTQUGXAW-CZXHOFHRSA-N	0	3	305.340	2.857	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000369388463	429937483	/nfs/dbraw/zinc/93/74/83/429937483.db2.gz	WUGGDEZOPMCVTJ-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1cncn1CC(=O)C(C#N)c1ncc(C(C)(C)C)s1	ZINC000529007931	429948298	/nfs/dbraw/zinc/94/82/98/429948298.db2.gz	GWKXIKGALCJRBA-NSHDSACASA-N	0	3	302.403	2.822	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000560379072	430037234	/nfs/dbraw/zinc/03/72/34/430037234.db2.gz	MUUXVPSEHZLLKT-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
CN(c1ccc(C#N)c(N)n1)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000574412852	430041180	/nfs/dbraw/zinc/04/11/80/430041180.db2.gz	BTOXSMWDSFOEGL-QGZVFWFLSA-N	0	3	321.428	2.636	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN(C2CCCCC2)CC1	ZINC000559003207	429996501	/nfs/dbraw/zinc/99/65/01/429996501.db2.gz	DLPQMXYYMBAPMQ-UHFFFAOYSA-N	0	3	317.481	2.871	20	30		DFEDHN
CC[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N(CC)CC	ZINC000559258958	430001628	/nfs/dbraw/zinc/00/16/28/430001628.db2.gz	OROJAGBPFBYUES-HNNXBMFYSA-N	0	3	309.360	2.573	20	30		DFEDHN
C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000559316216	430003582	/nfs/dbraw/zinc/00/35/82/430003582.db2.gz	RDMOMDXOBIXAKQ-GRYCIOLGSA-N	0	3	321.371	2.714	20	30		DFEDHN
Cc1nc(NC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)oc1C	ZINC000576372131	430105641	/nfs/dbraw/zinc/10/56/41/430105641.db2.gz	FKXLTMBGYZGMON-SNVBAGLBSA-N	0	3	324.262	2.951	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@]2(CC=CCC2)C1	ZINC000530335890	430112207	/nfs/dbraw/zinc/11/22/07/430112207.db2.gz	HHEJPPSYRLCTIJ-NVXWUHKLSA-N	0	3	301.434	2.760	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cc[nH]n1	ZINC000574625729	430050900	/nfs/dbraw/zinc/05/09/00/430050900.db2.gz	VYIAYPWQXZORMF-NVXWUHKLSA-N	0	3	308.385	2.846	20	30		DFEDHN
O[C@H]1C[C@H](C2CC2)N(CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000640047890	430071837	/nfs/dbraw/zinc/07/18/37/430071837.db2.gz	XPDUSBROYJEOOK-JKSUJKDBSA-N	0	3	309.331	2.902	20	30		DFEDHN
O[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(C(F)(F)F)cc1)C2	ZINC000640076522	430082246	/nfs/dbraw/zinc/08/22/46/430082246.db2.gz	HGBWRARHVKKUGI-VNQPRFMTSA-N	0	3	309.331	2.902	20	30		DFEDHN
C[C@H]1c2c(F)cccc2CCN1CCC(=O)N(C)CCC#N	ZINC000537851568	430172984	/nfs/dbraw/zinc/17/29/84/430172984.db2.gz	OVUAEAZCZCPJEP-ZDUSSCGKSA-N	0	3	303.381	2.507	20	30		DFEDHN
C=CCNC(=O)CN[C@H](COc1ccccc1F)C(C)(C)C	ZINC000539493794	430176587	/nfs/dbraw/zinc/17/65/87/430176587.db2.gz	QAXPZXAIBLLMPK-OAHLLOKOSA-N	0	3	308.397	2.511	20	30		DFEDHN
N#CC1(CCN2CCC[C@@H](c3ccnc(N)n3)C2)CCCCC1	ZINC000579565194	430126822	/nfs/dbraw/zinc/12/68/22/430126822.db2.gz	RMGQESBDGWGRMZ-OAHLLOKOSA-N	0	3	313.449	3.102	20	30		DFEDHN
CC(C)CN(C(=O)Cc1cccc(C#N)c1)C1CCN(C)CC1	ZINC000531385633	430140175	/nfs/dbraw/zinc/14/01/75/430140175.db2.gz	BBNGYNIOEDLZJW-UHFFFAOYSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CN1CCC(C)(C)C1	ZINC000562865884	430178978	/nfs/dbraw/zinc/17/89/78/430178978.db2.gz	ATFIQEGAOOPTMS-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
CCO[C@H]1C[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000562535139	430143257	/nfs/dbraw/zinc/14/32/57/430143257.db2.gz	YUJNCUCERXTYJS-SJORKVTESA-N	0	3	310.401	2.731	20	30		DFEDHN
COC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(C)C	ZINC000541595923	430190512	/nfs/dbraw/zinc/19/05/12/430190512.db2.gz	WLZRSCGEZWOOPO-WBVHZDCISA-N	0	3	317.433	2.582	20	30		DFEDHN
CCN(CC)[C@@H](CNc1ccc(C#N)c(N)n1)c1ccsc1	ZINC000563898859	430192819	/nfs/dbraw/zinc/19/28/19/430192819.db2.gz	SJXCMJGKSNOGQU-AWEZNQCLSA-N	0	3	315.446	3.092	20	30		DFEDHN
CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccc(Cl)cc1	ZINC000564202462	430193945	/nfs/dbraw/zinc/19/39/45/430193945.db2.gz	KTJADFQJCVCZHX-CJNGLKHVSA-N	0	3	304.825	2.976	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@@H]2C1	ZINC000272514663	277174872	/nfs/dbraw/zinc/17/48/72/277174872.db2.gz	XLUPJKWDCXUPQZ-SWLSCSKDSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=CCN(Cc1cccs1)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000564988965	430202475	/nfs/dbraw/zinc/20/24/75/430202475.db2.gz	HVQZXWAALQSXSD-ZDUSSCGKSA-N	0	3	313.430	2.546	20	30		DFEDHN
C=CCCCCCNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000566419892	430260597	/nfs/dbraw/zinc/26/05/97/430260597.db2.gz	BZRSGLQUXHMIRC-UHFFFAOYSA-N	0	3	308.466	2.884	20	30		DFEDHN
CC1(C)CN(c2ccc(C#N)c(N)n2)CCN1Cc1ccccc1	ZINC000582013380	430260741	/nfs/dbraw/zinc/26/07/41/430260741.db2.gz	JOAYPPNHSNDNIW-UHFFFAOYSA-N	0	3	321.428	2.636	20	30		DFEDHN
N#CCCCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000566677107	430270971	/nfs/dbraw/zinc/27/09/71/430270971.db2.gz	ZBJMBCPQEFCALJ-INIZCTEOSA-N	0	3	317.408	2.848	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](NC3(C4CCC4)CCC3)C2=O)cc1	ZINC000582167955	430274154	/nfs/dbraw/zinc/27/41/54/430274154.db2.gz	KXFKRWNAUPILSY-KRWDZBQOSA-N	0	3	309.413	2.976	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N1CCC(CCC#N)CC1	ZINC000582178408	430276288	/nfs/dbraw/zinc/27/62/88/430276288.db2.gz	ZBCBDAPNIPGWJW-MRXNPFEDSA-N	0	3	306.454	2.586	20	30		DFEDHN
COCC1(CCNC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000567237405	430280507	/nfs/dbraw/zinc/28/05/07/430280507.db2.gz	GNBFMNKOQFHTKC-INIZCTEOSA-N	0	3	300.402	2.692	20	30		DFEDHN
CN(CCC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccncc1	ZINC000567501579	430283952	/nfs/dbraw/zinc/28/39/52/430283952.db2.gz	LEIATBNBXOJGGT-GOSISDBHSA-N	0	3	314.433	2.887	20	30		DFEDHN
Cc1ccc(O)c(CN(C)CCOCc2ccc(C#N)cc2)n1	ZINC000583637699	430414848	/nfs/dbraw/zinc/41/48/48/430414848.db2.gz	LIMFTZFWHHCGOE-UHFFFAOYSA-N	0	3	311.385	2.616	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CNCc2ccc(C#N)s2)c1	ZINC000568384536	430353026	/nfs/dbraw/zinc/35/30/26/430353026.db2.gz	MAQJSZHOLCAIPB-AWEZNQCLSA-N	0	3	316.426	2.766	20	30		DFEDHN
N#Cc1ccncc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000569425827	430451699	/nfs/dbraw/zinc/45/16/99/430451699.db2.gz	JGFOAQOXBJRQLL-RTBURBONSA-N	0	3	318.424	2.879	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cnc(-c2c(F)cccc2F)s1	ZINC000641767686	430467529	/nfs/dbraw/zinc/46/75/29/430467529.db2.gz	OFDWXVKNFVQKOJ-LLVKDONJSA-N	0	3	322.380	2.952	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cc(-c2ccncc2)ccc1OC	ZINC000641767615	430467820	/nfs/dbraw/zinc/46/78/20/430467820.db2.gz	MSJJCCUMXZJAJV-SFHVURJKSA-N	0	3	310.397	2.621	20	30		DFEDHN
Cc1ccc(NC2CCN([C@H](C)c3ccncc3)CC2)nc1C#N	ZINC000584835063	430477542	/nfs/dbraw/zinc/47/75/42/430477542.db2.gz	HSLWFIQPQNLERW-OAHLLOKOSA-N	0	3	321.428	3.294	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccccc1Cl	ZINC000569197236	430432365	/nfs/dbraw/zinc/43/23/65/430432365.db2.gz	PTDPQNLYRBULBF-MAZHCROVSA-N	0	3	322.836	2.840	20	30		DFEDHN
CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1cccc(F)c1	ZINC000590569951	430486999	/nfs/dbraw/zinc/48/69/99/430486999.db2.gz	RVJKTIOESWBBSB-GFCCVEGCSA-N	0	3	324.812	3.522	20	30		DFEDHN
CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1cccs1	ZINC000590569943	430487176	/nfs/dbraw/zinc/48/71/76/430487176.db2.gz	RNYCPBHCECIWIX-VIFPVBQESA-N	0	3	312.851	3.444	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2cccc(C#N)c2)[C@H]2CCC[C@@H]21	ZINC000569855960	430492300	/nfs/dbraw/zinc/49/23/00/430492300.db2.gz	CVNCEMLNJJZYNR-IRXDYDNUSA-N	0	3	311.429	2.685	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)n1	ZINC000596086865	430506917	/nfs/dbraw/zinc/50/69/17/430506917.db2.gz	BZYKMBUNDVGYKD-ZBFHGGJFSA-N	0	3	321.428	3.158	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000570048489	430509565	/nfs/dbraw/zinc/50/95/65/430509565.db2.gz	WYSPKKJIUGKRHS-HOTGVXAUSA-N	0	3	315.373	2.904	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNc2cc(C#N)cnn2)N(C)C)cc1	ZINC000596235891	430511410	/nfs/dbraw/zinc/51/14/10/430511410.db2.gz	OBQLSAJRPMPAJA-GOSISDBHSA-N	0	3	323.444	3.262	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccccn2)cc1	ZINC000570140345	430517070	/nfs/dbraw/zinc/51/70/70/430517070.db2.gz	NCZPFJHKWOKENN-VQIMIIECSA-N	0	3	323.396	2.530	20	30		DFEDHN
C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)[C@@H](c1ccccc1)N(C)C	ZINC000601156337	430537306	/nfs/dbraw/zinc/53/73/06/430537306.db2.gz	PIMAKUHUTTUEQY-ACJLOTCBSA-N	0	3	321.428	3.329	20	30		DFEDHN
CSc1ccc(OC[C@@H](O)CN2CCC(CC#N)CC2)cc1	ZINC000570378010	430538299	/nfs/dbraw/zinc/53/82/99/430538299.db2.gz	ZQXKMLSLBQHANW-HNNXBMFYSA-N	0	3	320.458	2.774	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H](OC)C2CCOCC2)cc1	ZINC000639158234	430549006	/nfs/dbraw/zinc/54/90/06/430549006.db2.gz	ZEUQEFVNCVCWCG-GOSISDBHSA-N	0	3	305.418	2.783	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H](OC)C2CCOCC2)cc1	ZINC000639158236	430549998	/nfs/dbraw/zinc/54/99/98/430549998.db2.gz	ZEUQEFVNCVCWCG-SFHVURJKSA-N	0	3	305.418	2.783	20	30		DFEDHN
C=CCC1(C(=O)N(CC)C[C@@H]2CCCN2CC)CCOCC1	ZINC000571756309	430650707	/nfs/dbraw/zinc/65/07/07/430650707.db2.gz	ACWMYPAHQLMVBL-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#CC1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCCCC1	ZINC000571773556	430652520	/nfs/dbraw/zinc/65/25/20/430652520.db2.gz	GJHDJQPERPZUBS-KRWDZBQOSA-N	0	3	311.429	2.851	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)CCCCC2=O)c1ccncn1	ZINC000555066359	430658572	/nfs/dbraw/zinc/65/85/72/430658572.db2.gz	WBBLGBLFMKLJCQ-OAHLLOKOSA-N	0	3	305.337	2.876	20	30		DFEDHN
N#Cc1cc(NCC2(N3CCSCC3)CCCCC2)ccn1	ZINC000553049154	430605961	/nfs/dbraw/zinc/60/59/61/430605961.db2.gz	NHPILRLPVPEARK-UHFFFAOYSA-N	0	3	316.474	2.539	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN(Cc1cccs1)C1CC1)C2	ZINC000571209185	430611596	/nfs/dbraw/zinc/61/15/96/430611596.db2.gz	RPDKYDAESWDGKK-LBPRGKRZSA-N	0	3	313.430	2.523	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000571368182	430623188	/nfs/dbraw/zinc/62/31/88/430623188.db2.gz	FTQRKNSUUHEGMI-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
CN1CCC[C@H](CNc2nccc(C#N)n2)[C@@H]1c1cccs1	ZINC000571630430	430641438	/nfs/dbraw/zinc/64/14/38/430641438.db2.gz	TWGIPIAAEUBUPW-IUODEOHRSA-N	0	3	313.430	2.905	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)[C@H]1CNCCC1(F)F	ZINC000643978536	430646456	/nfs/dbraw/zinc/64/64/56/430646456.db2.gz	AEOFXYLATSCILI-CQSZACIVSA-N	0	3	300.393	2.826	20	30		DFEDHN
C=C(C)Cn1c(N2CCN(C)[C@H](C(C)C)C2)nnc1C(C)(C)C	ZINC000555258850	430663101	/nfs/dbraw/zinc/66/31/01/430663101.db2.gz	SYJXEWIAFUABRJ-HNNXBMFYSA-N	0	3	319.497	2.928	20	30		DFEDHN
N#Cc1ccnc(NC[C@H]2CCCN(Cc3cccs3)C2)n1	ZINC000556196654	430680941	/nfs/dbraw/zinc/68/09/41/430680941.db2.gz	UVXVYGIBMFTIFH-CYBMUJFWSA-N	0	3	313.430	2.734	20	30		DFEDHN
Cc1nn(C)c(N2CCN(CC(C(C)C)C(C)C)CC2)c1C#N	ZINC000556598886	430687563	/nfs/dbraw/zinc/68/75/63/430687563.db2.gz	CMQLVVCHPTVHJM-UHFFFAOYSA-N	0	3	317.481	2.650	20	30		DFEDHN
CS[C@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1N1CCCC1	ZINC000275434494	278167935	/nfs/dbraw/zinc/16/79/35/278167935.db2.gz	JFYRGWYXEVBTBU-HOTGVXAUSA-N	0	3	305.422	2.713	20	30		DFEDHN
C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)N1CCC[C@@H](C)C1	ZINC000360006792	278205921	/nfs/dbraw/zinc/20/59/21/278205921.db2.gz	NMEHRJZQEMESHP-BZUAXINKSA-N	0	3	313.445	2.898	20	30		DFEDHN
C[C@H](N[C@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(C#N)c1	ZINC000362033807	278282691	/nfs/dbraw/zinc/28/26/91/278282691.db2.gz	VPRDLKFMMRVUAQ-KSSFIOAISA-N	0	3	320.396	2.519	20	30		DFEDHN
N#CCCNC[C@H]1CCN(c2cccc(Br)c2)C1	ZINC000572751451	430696801	/nfs/dbraw/zinc/69/68/01/430696801.db2.gz	IFAYLKYGHJDJNO-GFCCVEGCSA-N	0	3	308.223	2.779	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@]2(CCN(C)C2)C1	ZINC000661417527	430707364	/nfs/dbraw/zinc/70/73/64/430707364.db2.gz	HGGRVYUOEADYLA-RYRKJORJSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1	ZINC000648198801	430709306	/nfs/dbraw/zinc/70/93/06/430709306.db2.gz	FHEUEJJQSDNXOH-IBGZPJMESA-N	0	3	322.408	2.950	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1OC	ZINC000657703006	430711595	/nfs/dbraw/zinc/71/15/95/430711595.db2.gz	KHRYZAWTADHSRU-IRXDYDNUSA-N	0	3	303.402	2.653	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1cccc(C(C)=O)c1)C(C)(C)C	ZINC000661755509	430830942	/nfs/dbraw/zinc/83/09/42/430830942.db2.gz	SCHBOXMLDZHCLB-MRXNPFEDSA-N	0	3	305.418	2.915	20	30		DFEDHN
C=CCN(Cc1cc(Cl)cc(S(N)(=O)=O)c1)C(C)(C)C	ZINC000661759486	430831992	/nfs/dbraw/zinc/83/19/92/430831992.db2.gz	HRSQUWMIQIDTRN-UHFFFAOYSA-N	0	3	316.854	2.774	20	30		DFEDHN
CN1C[C@H]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)[C@@H]2C1	ZINC000644732860	430804153	/nfs/dbraw/zinc/80/41/53/430804153.db2.gz	HCGOHGBNHCWAQU-GDBMZVCRSA-N	0	3	324.346	2.573	20	30		DFEDHN
CN1C[C@H]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)[C@H]2C1	ZINC000644732444	430804810	/nfs/dbraw/zinc/80/48/10/430804810.db2.gz	UPNJILBWGFVNKC-ZBFHGGJFSA-N	0	3	308.347	2.693	20	30		DFEDHN
C=CCCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659038239	430949070	/nfs/dbraw/zinc/94/90/70/430949070.db2.gz	NMRBRAKZPZSELM-INIZCTEOSA-N	0	3	303.406	2.825	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccc(F)cc1	ZINC000662079090	430949958	/nfs/dbraw/zinc/94/99/58/430949958.db2.gz	JYZIKDZWPKZXSZ-CALCHBBNSA-N	0	3	302.393	2.667	20	30		DFEDHN
COc1cccc(C(=O)C(C#N)c2ccncn2)c1OC(C)C	ZINC000659114467	430950609	/nfs/dbraw/zinc/95/06/09/430950609.db2.gz	CHRQJMOOSIQRBU-ZDUSSCGKSA-N	0	3	311.341	2.762	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccccc1OC	ZINC000662080261	430953240	/nfs/dbraw/zinc/95/32/40/430953240.db2.gz	JRSDREPSBBGEME-OIISXLGYSA-N	0	3	314.429	2.883	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1c(F)cccc1F	ZINC000662084963	430954502	/nfs/dbraw/zinc/95/45/02/430954502.db2.gz	YQQNWTQPHUJJTR-OKILXGFUSA-N	0	3	320.383	2.807	20	30		DFEDHN
C=CCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1	ZINC000652368142	431035990	/nfs/dbraw/zinc/03/59/90/431035990.db2.gz	ZTHQWODQHPPJFI-MRXNPFEDSA-N	0	3	305.466	2.906	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cn(-c2ccccc2F)nc1C	ZINC000655756165	431115595	/nfs/dbraw/zinc/11/55/95/431115595.db2.gz	PQWALRSGQMUEFD-CQSZACIVSA-N	0	3	303.381	2.594	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000665940849	431071008	/nfs/dbraw/zinc/07/10/08/431071008.db2.gz	OBSSWJWKIZHPPT-QGZVFWFLSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000665946849	431073584	/nfs/dbraw/zinc/07/35/84/431073584.db2.gz	YYJJBZLIWGMMPZ-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1	ZINC000649375286	431079633	/nfs/dbraw/zinc/07/96/33/431079633.db2.gz	CBKPTCSKNWABKM-MRXNPFEDSA-N	0	3	312.417	2.588	20	30		DFEDHN
CC[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1	ZINC000365705487	288090017	/nfs/dbraw/zinc/09/00/17/288090017.db2.gz	AYIOFPPHJFSGLZ-ROUUACIJSA-N	0	3	324.428	2.865	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000649388075	431085094	/nfs/dbraw/zinc/08/50/94/431085094.db2.gz	XZDLNHGXOAJFIW-KBXCAEBGSA-N	0	3	320.433	2.517	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)c1cccc2c1CCNC2	ZINC000662596320	431128908	/nfs/dbraw/zinc/12/89/08/431128908.db2.gz	RPKQZDXDMKBBGD-UHFFFAOYSA-N	0	3	322.408	2.827	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CCN(C)C)n1	ZINC000666185626	431143606	/nfs/dbraw/zinc/14/36/06/431143606.db2.gz	QGGZIKMETIBGNN-GJZGRUSLSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](OC)[C@@H]1CCOC1	ZINC000659848590	431142066	/nfs/dbraw/zinc/14/20/66/431142066.db2.gz	FWSLAVGQFUPFBZ-SJLPKXTDSA-N	0	3	305.418	2.735	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)N[C@H](CN)C(F)(F)F)CCCC1(C)C	ZINC000655926243	431220229	/nfs/dbraw/zinc/22/02/29/431220229.db2.gz	DTJXALXQONIOFK-MNOVXSKESA-N	0	3	307.360	2.652	20	30		DFEDHN
C=CCOCCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1	ZINC000649779187	431290538	/nfs/dbraw/zinc/29/05/38/431290538.db2.gz	JYYKOSIKZUZVNC-UKRRQHHQSA-N	0	3	305.422	2.650	20	30		DFEDHN
COCCN1CCN(CC#Cc2cccc(Cl)c2)C(C)(C)C1	ZINC000649850211	431331437	/nfs/dbraw/zinc/33/14/37/431331437.db2.gz	DGXOYAWSIQKROC-UHFFFAOYSA-N	0	3	320.864	2.734	20	30		DFEDHN
C=C(C)COc1cc(CN(C[C@@H](C)O)C2CC2)ccc1OC	ZINC000656277186	431353739	/nfs/dbraw/zinc/35/37/39/431353739.db2.gz	AJWZBBWHZZJLJF-CQSZACIVSA-N	0	3	305.418	2.995	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000660287148	431359843	/nfs/dbraw/zinc/35/98/43/431359843.db2.gz	BWEFXJAVLLQICY-KRWDZBQOSA-N	0	3	319.449	2.953	20	30		DFEDHN
C=CCN(C(=O)Nc1ccccc1CCN(C)C)[C@H](C)COC	ZINC000666839484	431377194	/nfs/dbraw/zinc/37/71/94/431377194.db2.gz	ZMIHLSISDIMVJE-OAHLLOKOSA-N	0	3	319.449	2.846	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nccnc2OC2CCC2)CC1	ZINC000663568601	431469775	/nfs/dbraw/zinc/46/97/75/431469775.db2.gz	ZGHFEXUEFXFALD-UHFFFAOYSA-N	0	3	302.422	2.860	20	30		DFEDHN
C=CCOc1ccccc1CNCC(C)(C)[C@]1(O)CCOC1	ZINC000647246145	431525967	/nfs/dbraw/zinc/52/59/67/431525967.db2.gz	YHAPGCRGBRXDQN-SFHVURJKSA-N	0	3	305.418	2.519	20	30		DFEDHN
CC(=O)c1ccccc1NC(=O)CCCN[C@@H]1CCC[C@H]1C#N	ZINC000653669893	431482597	/nfs/dbraw/zinc/48/25/97/431482597.db2.gz	QMFFGOWOEXEONN-GOEBONIOSA-N	0	3	313.401	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](OC)C2CCCC2)CC1	ZINC000660596565	431509225	/nfs/dbraw/zinc/50/92/25/431509225.db2.gz	FQCRCLUCCVWGKV-QGZVFWFLSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)CC(F)(F)F)CC1	ZINC000660705945	431559616	/nfs/dbraw/zinc/55/96/16/431559616.db2.gz	YFJWNFAKOBIPMN-UHFFFAOYSA-N	0	3	321.387	2.915	20	30		DFEDHN
C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000660812158	431610420	/nfs/dbraw/zinc/61/04/20/431610420.db2.gz	LWTBBRMLGHVIBE-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCCn1cc(CNCCc2c[nH]c3cc(C)ccc23)nn1	ZINC000657339856	431686731	/nfs/dbraw/zinc/68/67/31/431686731.db2.gz	PDWFLTAURNSESO-UHFFFAOYSA-N	0	3	309.417	2.976	20	30		DFEDHN
C=CCCOCCCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000654319734	431745971	/nfs/dbraw/zinc/74/59/71/431745971.db2.gz	PMVJEUGQMWPQEE-SJORKVTESA-N	0	3	308.466	2.883	20	30		DFEDHN
COC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCOCC1	ZINC000661157806	431755880	/nfs/dbraw/zinc/75/58/80/431755880.db2.gz	IVMLVUONOZUJBG-QGZVFWFLSA-N	0	3	307.821	2.723	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000661070870	431720798	/nfs/dbraw/zinc/72/07/98/431720798.db2.gz	HHMSHMNFADRIGJ-BBWFWOEESA-N	0	3	303.450	2.896	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccccc1Cl)[C@@H](C)COC	ZINC000661248135	431794846	/nfs/dbraw/zinc/79/48/46/431794846.db2.gz	SCWUBFUFHOIBJJ-UONOGXRCSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=C(C)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000661263446	431803534	/nfs/dbraw/zinc/80/35/34/431803534.db2.gz	JRLODWPFWJZNCT-UHFFFAOYSA-N	0	3	316.449	2.559	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cncc(Br)c1C	ZINC000657483173	431778196	/nfs/dbraw/zinc/77/81/96/431778196.db2.gz	LCYCOHTYPYAPLD-KGLIPLIRSA-N	0	3	311.223	2.976	20	30		DFEDHN
C=CCC1(NCc2cnnn2Cc2ccccc2)CCOCC1	ZINC000657634372	431831223	/nfs/dbraw/zinc/83/12/23/431831223.db2.gz	JHQSNTABQGVVJH-UHFFFAOYSA-N	0	3	312.417	2.541	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCCc2ccc(F)cc2)C1	ZINC000661376353	431837220	/nfs/dbraw/zinc/83/72/20/431837220.db2.gz	BFHXVXSOKSAMGL-INIZCTEOSA-N	0	3	304.409	2.773	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCc2ccccc2OC)C1	ZINC000661376592	431837279	/nfs/dbraw/zinc/83/72/79/431837279.db2.gz	DEDVRIYXUZTAED-OAHLLOKOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2ccc(OC)cc2)C1	ZINC000661378855	431837629	/nfs/dbraw/zinc/83/76/29/431837629.db2.gz	NFGOWHHVMLTPBA-INIZCTEOSA-N	0	3	302.418	2.600	20	30		DFEDHN
Cc1nc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)cc1C#N	ZINC000292767794	281935796	/nfs/dbraw/zinc/93/57/96/281935796.db2.gz	WNEBRHKOGIHTQP-CQSZACIVSA-N	0	3	304.825	2.980	20	30		DFEDHN
CCCN1CCC(N(C)C(=O)C#Cc2ccc(CC)cc2)CC1	ZINC000292493310	335090887	/nfs/dbraw/zinc/09/08/87/335090887.db2.gz	AJUPMVLPHSQQRS-UHFFFAOYSA-N	0	3	312.457	2.933	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O	ZINC000295739675	290222641	/nfs/dbraw/zinc/22/26/41/290222641.db2.gz	WMPSIDGJGQSPAQ-UWWQBHOKSA-N	0	3	319.408	2.900	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)CCN1C	ZINC000537588145	301304221	/nfs/dbraw/zinc/30/42/21/301304221.db2.gz	XZPARVQOCCPFOW-SMDDNHRTSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000538684012	301326864	/nfs/dbraw/zinc/32/68/64/301326864.db2.gz	WIOABRLOWPGTLU-FZMZJTMJSA-N	0	3	303.793	2.520	20	30		DFEDHN
N#Cc1ccc(OCCNC2(c3ccc4c(c3)OCO4)CC2)cc1	ZINC000539332930	301340715	/nfs/dbraw/zinc/34/07/15/301340715.db2.gz	VEAYJGYBJWMEMX-UHFFFAOYSA-N	0	3	322.364	2.945	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CN1C1CC1	ZINC000539783484	301348262	/nfs/dbraw/zinc/34/82/62/301348262.db2.gz	NADMYUOYVPMBPE-GWCFXTLKSA-N	0	3	303.793	2.567	20	30		DFEDHN
N#Cc1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1Cl	ZINC000541787809	301397317	/nfs/dbraw/zinc/39/73/17/301397317.db2.gz	MUQHJDVNJHJNMH-HNNXBMFYSA-N	0	3	317.820	2.912	20	30		DFEDHN
COC[C@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000542526476	301415422	/nfs/dbraw/zinc/41/54/22/301415422.db2.gz	QHJPMGUWGKHIEE-NHYWBVRUSA-N	0	3	323.824	2.799	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(C#N)c2)[C@@H]1n1cccn1	ZINC000551320151	301659438	/nfs/dbraw/zinc/65/94/38/301659438.db2.gz	CELXIOYUDBGEOT-RNJTYBCJSA-N	0	3	310.401	2.824	20	30		DFEDHN
N#Cc1cnn2cc(CNCC3(c4ccccc4)CCC3)cnc12	ZINC000559273160	301868757	/nfs/dbraw/zinc/86/87/57/301868757.db2.gz	ZHBRIUAOSURVJH-UHFFFAOYSA-N	0	3	317.396	2.812	20	30		DFEDHN
Cc1cc(C#N)nc(Nc2cccc3c2OCC[C@@H]3N(C)C)n1	ZINC000562867757	302009895	/nfs/dbraw/zinc/00/98/95/302009895.db2.gz	QOHAOEQPLSUREY-HNNXBMFYSA-N	0	3	309.373	2.786	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NCCC(=O)Nc1ccccn1)CC2	ZINC000563843929	302102224	/nfs/dbraw/zinc/10/22/24/302102224.db2.gz	YSMWNHAUBSMEPA-INIZCTEOSA-N	0	3	306.369	2.559	20	30		DFEDHN
C[C@@H]1N(Cc2ccc(C#N)cc2[N+](=O)[O-])CCC12CCOCC2	ZINC000565042763	302187587	/nfs/dbraw/zinc/18/75/87/302187587.db2.gz	APUIVNDEHGDHGV-ZDUSSCGKSA-N	0	3	315.373	2.857	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C#N)nc1)N(C)C	ZINC000357876083	302207881	/nfs/dbraw/zinc/20/78/81/302207881.db2.gz	SJDPMMFYYDGPLC-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
CC(C)[C@H](CNCc1cnc2c(C#N)cnn2c1)c1cccnc1	ZINC000565421737	302224153	/nfs/dbraw/zinc/22/41/53/302224153.db2.gz	ILSRWEKWHOUQCK-KRWDZBQOSA-N	0	3	320.400	2.525	20	30		DFEDHN
C[C@@]1(c2ccccc2)CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000566246044	302270047	/nfs/dbraw/zinc/27/00/47/302270047.db2.gz	COSWEPBVCJFEFI-LJQANCHMSA-N	0	3	317.396	2.765	20	30		DFEDHN
N#Cc1ccc(CNCCc2nnc(-c3ccccc3)o2)cc1	ZINC000177387530	315982999	/nfs/dbraw/zinc/98/29/99/315982999.db2.gz	VIZSZYMXAJKUMD-UHFFFAOYSA-N	0	3	304.353	2.941	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccsc1	ZINC000181209122	316053298	/nfs/dbraw/zinc/05/32/98/316053298.db2.gz	XDZYGFHQTKOZRK-OAHLLOKOSA-N	0	3	316.430	2.761	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574984108	318054590	/nfs/dbraw/zinc/05/45/90/318054590.db2.gz	FLPGQLMIUFJVEQ-YJBOKZPZSA-N	0	3	321.428	2.838	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N[C@@H]2CC3CCC2CC3)C1=O	ZINC000576217080	318111511	/nfs/dbraw/zinc/11/15/11/318111511.db2.gz	JEULALHDBAWSRA-CXTZMWEQSA-N	0	3	315.442	2.893	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC2(CCC2)O1	ZINC000576276832	318115660	/nfs/dbraw/zinc/11/56/60/318115660.db2.gz	AZFNFIRTVUKSPH-AWEZNQCLSA-N	0	3	313.401	2.530	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1ccc(C#N)c(Cl)c1	ZINC000576680260	318142047	/nfs/dbraw/zinc/14/20/47/318142047.db2.gz	CIIYKGMJGTZEQA-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCN(C)c1ccncc1	ZINC000576817792	318152058	/nfs/dbraw/zinc/15/20/58/318152058.db2.gz	QXOPUUDVXUDFBL-OAHLLOKOSA-N	0	3	322.412	2.999	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000577706772	318211134	/nfs/dbraw/zinc/21/11/34/318211134.db2.gz	SCBGNXXUGNWNHP-RNJTYBCJSA-N	0	3	311.429	2.507	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1ccc(C#N)cn1	ZINC000578903423	318294331	/nfs/dbraw/zinc/29/43/31/318294331.db2.gz	GUZPRKBIPSTAAU-CVEARBPZSA-N	0	3	301.390	2.555	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H]1CCCN(C)C1	ZINC000579466212	318332116	/nfs/dbraw/zinc/33/21/16/318332116.db2.gz	ZPZHLWWVBDLZRV-HOCLYGCPSA-N	0	3	314.433	2.602	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNC2CCC3(CC3)CC2)c1	ZINC000579583809	318340447	/nfs/dbraw/zinc/34/04/47/318340447.db2.gz	MZKWBNGPGJFOCH-UHFFFAOYSA-N	0	3	318.442	2.644	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1	ZINC000186717733	331469663	/nfs/dbraw/zinc/46/96/63/331469663.db2.gz	INYFZTVVKMJJJB-JQWIXIFHSA-N	0	3	301.333	2.884	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1	ZINC000180508757	331570589	/nfs/dbraw/zinc/57/05/89/331570589.db2.gz	UBODHXLKIZJTLF-CYBMUJFWSA-N	0	3	318.383	2.815	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)C(C)C	ZINC000249951014	332920010	/nfs/dbraw/zinc/92/00/10/332920010.db2.gz	HNSVWHOZFTXGKH-IXDOHACOSA-N	0	3	308.466	2.616	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)CC1	ZINC000363373268	331635678	/nfs/dbraw/zinc/63/56/78/331635678.db2.gz	JWPJFCRRSLEADW-PQEBFOHHSA-N	0	3	302.462	2.519	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc(OCC)cc2)CC1	ZINC000255718095	331792629	/nfs/dbraw/zinc/79/26/29/331792629.db2.gz	GQBIYAKNAMBYPH-YFHOEESVSA-N	0	3	314.429	2.865	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1	ZINC000085333366	332010553	/nfs/dbraw/zinc/01/05/53/332010553.db2.gz	BMJAGQHHDRGXFT-VQTJNVASSA-N	0	3	321.424	2.784	20	30		DFEDHN
N#CC1(c2ccccc2)CC(N[C@@H](CO)Cc2ccccc2)C1	ZINC000129735089	332020586	/nfs/dbraw/zinc/02/05/86/332020586.db2.gz	UJXKKGVEUDUINO-XEVCZEQESA-N	0	3	306.409	2.804	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000410544588	332150338	/nfs/dbraw/zinc/15/03/38/332150338.db2.gz	IXERVSWYAZYVPH-RRIFGTCXSA-N	0	3	311.429	2.563	20	30		DFEDHN
CN(C)c1cccnc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000427232515	332185696	/nfs/dbraw/zinc/18/56/96/332185696.db2.gz	SZJPFIURTCDGQY-INIZCTEOSA-N	0	3	322.412	2.536	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N(C)CCC(C)(C)C#N)C2)nn1	ZINC000363478943	332192358	/nfs/dbraw/zinc/19/23/58/332192358.db2.gz	DMPMSIJOBLSWTC-HNNXBMFYSA-N	0	3	301.438	2.626	20	30		DFEDHN
CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(Cl)cc1	ZINC000103482035	332239518	/nfs/dbraw/zinc/23/95/18/332239518.db2.gz	WWOPTOBEEJOVIJ-UHFFFAOYSA-N	0	3	307.825	2.927	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CCC1	ZINC000104702197	332247525	/nfs/dbraw/zinc/24/75/25/332247525.db2.gz	CSHHBVVLHAKEKN-LJQANCHMSA-N	0	3	324.428	2.773	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000111306467	332303645	/nfs/dbraw/zinc/30/36/45/332303645.db2.gz	RWKSLIWIWRXOPQ-HIFRSBDPSA-N	0	3	319.836	2.890	20	30		DFEDHN
CCC[C@H](O)CNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000113342269	332319798	/nfs/dbraw/zinc/31/97/98/332319798.db2.gz	OXBUYQFHSGMDCY-KRWDZBQOSA-N	0	3	312.417	2.714	20	30		DFEDHN
Cc1cc(NC(=O)C(C)(C)C#N)ccc1OCCN1CCCC1	ZINC000119164852	332365962	/nfs/dbraw/zinc/36/59/62/332365962.db2.gz	ZYVXCQSQRXZQHT-UHFFFAOYSA-N	0	3	315.417	2.958	20	30		DFEDHN
C#CCNC(=O)CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1	ZINC000293445442	335106303	/nfs/dbraw/zinc/10/63/03/335106303.db2.gz	KHTRDKYMHQRTMJ-CZUORRHYSA-N	0	3	300.402	2.507	20	30		DFEDHN
C=CC[C@H](C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1)c1ccccc1	ZINC000427627480	332469640	/nfs/dbraw/zinc/46/96/40/332469640.db2.gz	BCNUOJMQRRVJJE-BBWFWOEESA-N	0	3	318.486	2.850	20	30		DFEDHN
C=CCNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C	ZINC000562175120	332556516	/nfs/dbraw/zinc/55/65/16/332556516.db2.gz	LZELXFVFGJRRLK-KRWDZBQOSA-N	0	3	303.450	2.973	20	30		DFEDHN
C[C@@H](CO[C@H]1CCOC1)NCc1cccc(OCCCC#N)c1	ZINC000151227364	332564405	/nfs/dbraw/zinc/56/44/05/332564405.db2.gz	FEZQBBVQRCYLGX-YJBOKZPZSA-N	0	3	318.417	2.653	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@H]2CCn3ccnc3C2)cc1	ZINC000570474587	332761189	/nfs/dbraw/zinc/76/11/89/332761189.db2.gz	ARBIHDLCZSHLNX-DOTOQJQBSA-N	0	3	310.401	2.841	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H]2CCCCC(F)(F)C2)CC1	ZINC000491221764	333003022	/nfs/dbraw/zinc/00/30/22/333003022.db2.gz	ZNINHAFQYNAVMO-AWEZNQCLSA-N	0	3	312.404	2.663	20	30		DFEDHN
Cc1c2ccccc2oc1[C@@H](C)NC[C@H](O)CN(C)CCC#N	ZINC000562989197	333019387	/nfs/dbraw/zinc/01/93/87/333019387.db2.gz	YSPSGTUKYZFDHL-CABCVRRESA-N	0	3	315.417	2.598	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCc1cccc(O)c1	ZINC000562993915	333025330	/nfs/dbraw/zinc/02/53/30/333025330.db2.gz	RLGNRFLMIIOMDI-SFHVURJKSA-N	0	3	313.397	2.650	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)NCCCCC#N)N(C)C)cc1	ZINC000170885328	333041865	/nfs/dbraw/zinc/04/18/65/333041865.db2.gz	UOGNWHWBVIKJTF-MRXNPFEDSA-N	0	3	302.422	2.591	20	30		DFEDHN
N#CCCn1cc(CN[C@H]2CCCOC2)c(-c2ccccc2)n1	ZINC000172120045	333059016	/nfs/dbraw/zinc/05/90/16/333059016.db2.gz	YIWCUWCDBIVPER-KRWDZBQOSA-N	0	3	310.401	2.732	20	30		DFEDHN
COc1ccc(OC)c(CN(CCO)CCCC(C)(C)C#N)c1	ZINC000174857332	333091724	/nfs/dbraw/zinc/09/17/24/333091724.db2.gz	HUQZJGNDLMOXSY-UHFFFAOYSA-N	0	3	320.433	2.828	20	30		DFEDHN
COc1cc(CN2CCN(CCCCC#N)CC2)cc(OC)c1	ZINC000175442593	333099344	/nfs/dbraw/zinc/09/93/44/333099344.db2.gz	ONNVGQGQPSDSPK-UHFFFAOYSA-N	0	3	317.433	2.515	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC2(CCC2)O1	ZINC000518774731	333114451	/nfs/dbraw/zinc/11/44/51/333114451.db2.gz	CSEKGAXENYPBIZ-WBVHZDCISA-N	0	3	312.413	2.929	20	30		DFEDHN
CN1CCO[C@@H]([C@H](NCCCCC#N)c2ccc(Cl)cc2)C1	ZINC000179567649	333152786	/nfs/dbraw/zinc/15/27/86/333152786.db2.gz	APDIVVMURVWQNT-IAGOWNOFSA-N	0	3	321.852	2.995	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CC1CCC(C(F)(F)F)CC1	ZINC000491698553	333167370	/nfs/dbraw/zinc/16/73/70/333167370.db2.gz	HUYURKZUVFIIEP-UHFFFAOYSA-N	0	3	318.383	2.817	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](Cc1ccccc1)C1CC1	ZINC000181554981	333170138	/nfs/dbraw/zinc/17/01/38/333170138.db2.gz	FIZDNHFOXGWXIR-YJBOKZPZSA-N	0	3	313.445	2.605	20	30		DFEDHN
C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN(C)C	ZINC000181592314	333170473	/nfs/dbraw/zinc/17/04/73/333170473.db2.gz	LWKNWYYYOQMCPS-LBPRGKRZSA-N	0	3	306.435	2.621	20	30		DFEDHN
CCN(CCC#N)C(=O)CNC1(c2ccc(F)cc2)CCCC1	ZINC000107899371	333171064	/nfs/dbraw/zinc/17/10/64/333171064.db2.gz	RATIHVIYEKKTDK-UHFFFAOYSA-N	0	3	317.408	2.947	20	30		DFEDHN
C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)C(=O)N(C)CCC#N	ZINC000181792802	333172290	/nfs/dbraw/zinc/17/22/90/333172290.db2.gz	SDLFROFJCOSSIB-HUUCEWRRSA-N	0	3	301.434	2.703	20	30		DFEDHN
CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(OC)cc1	ZINC000181815838	333172519	/nfs/dbraw/zinc/17/25/19/333172519.db2.gz	KWFDCYYUACYCMY-RHSMWYFYSA-N	0	3	317.433	2.744	20	30		DFEDHN
C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC#N)cc1	ZINC000181998982	333174285	/nfs/dbraw/zinc/17/42/85/333174285.db2.gz	TXWGMZFSTWGJQX-ZFWWWQNUSA-N	0	3	315.417	2.639	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C	ZINC000294753148	335127273	/nfs/dbraw/zinc/12/72/73/335127273.db2.gz	XUTJAENHYKQTEP-YLQAJVPDSA-N	0	3	304.821	2.766	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000185712383	333212601	/nfs/dbraw/zinc/21/26/01/333212601.db2.gz	TUVXOLXJPIKWOZ-ZWKOTPCHSA-N	0	3	311.429	2.981	20	30		DFEDHN
N#CCCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000497264234	333228881	/nfs/dbraw/zinc/22/88/81/333228881.db2.gz	MHADHLBTXSQUNZ-QGZVFWFLSA-N	0	3	315.417	2.929	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000364063366	333230797	/nfs/dbraw/zinc/23/07/97/333230797.db2.gz	HOIZXZLOKWBBAZ-VVLHAWIVSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCNC(=O)CN1CC[C@@H](Cc2ccc(C(F)F)cc2)C1	ZINC000364087961	333235876	/nfs/dbraw/zinc/23/58/76/333235876.db2.gz	VGNVXPQJYCVSFJ-AWEZNQCLSA-N	0	3	308.372	2.791	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccccc2OC2CC2)CC1	ZINC000497495040	333256372	/nfs/dbraw/zinc/25/63/72/333256372.db2.gz	KLFFYSPULCQFBY-UHFFFAOYSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000364222646	333275231	/nfs/dbraw/zinc/27/52/31/333275231.db2.gz	PPPIAHGTRGGADX-YESZJQIVSA-N	0	3	323.481	2.531	20	30		DFEDHN
CCN1CCN(C2CCN(CCCCC(C)(C)C#N)CC2)C1=O	ZINC000364357958	333298452	/nfs/dbraw/zinc/29/84/52/333298452.db2.gz	WQHSYALMAXFONM-UHFFFAOYSA-N	0	3	320.481	2.928	20	30		DFEDHN
C=CC[C@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000193284772	333301072	/nfs/dbraw/zinc/30/10/72/333301072.db2.gz	UFRCSTCJQZMKJX-OLZOCXBDSA-N	0	3	307.390	2.669	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1	ZINC000193354004	333302349	/nfs/dbraw/zinc/30/23/49/333302349.db2.gz	LIGAZKJTPRBFAQ-RCCFBDPRSA-N	0	3	311.429	2.768	20	30		DFEDHN
C=CC1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000111256447	333328346	/nfs/dbraw/zinc/32/83/46/333328346.db2.gz	LGRIVDLHTICXGQ-CYBMUJFWSA-N	0	3	304.356	2.685	20	30		DFEDHN
CC(C)[C@H](CCN(C)C(=O)C(C)C#N)NC(=O)OC(C)(C)C	ZINC000493074552	333331722	/nfs/dbraw/zinc/33/17/22/333331722.db2.gz	RBYIIPQSHDPLRC-STQMWFEESA-N	0	3	311.426	2.544	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1	ZINC000295243647	335134325	/nfs/dbraw/zinc/13/43/25/335134325.db2.gz	GGOKUWXLYGOMNS-UHFFFAOYSA-N	0	3	302.418	2.501	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1	ZINC000365185174	333356361	/nfs/dbraw/zinc/35/63/61/333356361.db2.gz	HUEBVEGSKZJHPN-CABCVRRESA-N	0	3	304.459	2.927	20	30		DFEDHN
C=C(C)COCCNC(=O)c1cccc(CN2CCCC2)c1	ZINC000162323833	333380670	/nfs/dbraw/zinc/38/06/70/333380670.db2.gz	OWPAATJNUWHYRJ-UHFFFAOYSA-N	0	3	302.418	2.605	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)CC2(N(C)C)CCC2)c1C	ZINC000186988502	333383304	/nfs/dbraw/zinc/38/33/04/333383304.db2.gz	OWZGQVSJIBFTIH-UHFFFAOYSA-N	0	3	317.477	2.890	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc3ncsc3c2)C1=O	ZINC000337181963	333442905	/nfs/dbraw/zinc/44/29/05/333442905.db2.gz	BCKFFIOWELAYDN-RISCZKNCSA-N	0	3	301.415	2.734	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@H]2CCC2CCCC2)CCC1	ZINC000525886014	335141009	/nfs/dbraw/zinc/14/10/09/335141009.db2.gz	DSKNHUMCPXMTCA-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)CC1	ZINC000337913013	333463766	/nfs/dbraw/zinc/46/37/66/333463766.db2.gz	QYEJDHCZCFFZRG-HNNXBMFYSA-N	0	3	305.470	2.756	20	30		DFEDHN
Clc1ccc(C#CCN2CCN([C@H]3CCSC3)CC2)cc1	ZINC000366093895	333493025	/nfs/dbraw/zinc/49/30/25/333493025.db2.gz	IIQYNSSWUBBXEU-KRWDZBQOSA-N	0	3	320.889	2.815	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)N(C)C)OCC	ZINC000339441024	333525069	/nfs/dbraw/zinc/52/50/69/333525069.db2.gz	SZZKQMLMMHWQHZ-QZTJIDSGSA-N	0	3	318.461	2.647	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000320811012	335145941	/nfs/dbraw/zinc/14/59/41/335145941.db2.gz	XCDKIALTXHSFHY-JSGCOSHPSA-N	0	3	309.406	2.690	20	30		DFEDHN
CC[C@H](CC#N)NCCCCCn1nnc(-c2ccccc2)n1	ZINC000563366428	333597154	/nfs/dbraw/zinc/59/71/54/333597154.db2.gz	IMLABVGJLXNABR-MRXNPFEDSA-N	0	3	312.421	2.792	20	30		DFEDHN
OC[C@]1([C@H](NCC#Cc2ccc(Cl)cc2)C2CC2)CCCO1	ZINC000339766162	333599946	/nfs/dbraw/zinc/59/99/46/333599946.db2.gz	GMFKOXQIDPOXEL-MSOLQXFVSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1cccs1	ZINC000296946465	335150143	/nfs/dbraw/zinc/15/01/43/335150143.db2.gz	PXYNFIQZBRZLML-AWEZNQCLSA-N	0	3	305.447	2.550	20	30		DFEDHN
N#CC1(CCN2CCC(N3CCCC3=O)CC2)CCCCC1	ZINC000411243887	333645020	/nfs/dbraw/zinc/64/50/20/333645020.db2.gz	YSPVJSXAJCECOG-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C2(C#N)CCCC2)c(F)c1	ZINC000413902456	333880728	/nfs/dbraw/zinc/88/07/28/333880728.db2.gz	OTIZGIAOGGEJPS-UHFFFAOYSA-N	0	3	319.380	2.789	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)c2cccc(SCC#N)c2)CCCN1C	ZINC000343458683	335166060	/nfs/dbraw/zinc/16/60/60/335166060.db2.gz	RMYBOMJZSRNIIB-DOMZBBRYSA-N	0	3	303.431	2.515	20	30		DFEDHN
CC[C@@H](C)[C@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264822261	333959876	/nfs/dbraw/zinc/95/98/76/333959876.db2.gz	DOJBPAHLWFCJJL-GDBMZVCRSA-N	0	3	320.433	2.874	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)N1CCCCCC1	ZINC000265026452	333961842	/nfs/dbraw/zinc/96/18/42/333961842.db2.gz	KFOGYYXGWICSJQ-INIZCTEOSA-N	0	3	314.433	2.588	20	30		DFEDHN
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C/CN(C)C	ZINC000265695678	333967898	/nfs/dbraw/zinc/96/78/98/333967898.db2.gz	OSARRCNPJPBRPQ-YSKGHYERSA-N	0	3	303.431	2.995	20	30		DFEDHN
CC(C)CN(C(=O)c1ccc(CC#N)cc1)C1CCN(C)CC1	ZINC000270469794	334013677	/nfs/dbraw/zinc/01/36/77/334013677.db2.gz	YSSPCRMIOXXHHY-UHFFFAOYSA-N	0	3	313.445	2.945	20	30		DFEDHN
C[C@H]1[C@H](CO)CCCN1Cc1cccc(OCCCC#N)c1	ZINC000414561050	334019325	/nfs/dbraw/zinc/01/93/25/334019325.db2.gz	BCGIJQFGWYYHPG-RDJZCZTQSA-N	0	3	302.418	2.962	20	30		DFEDHN
CC[C@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1O	ZINC000271246873	334020283	/nfs/dbraw/zinc/02/02/83/334020283.db2.gz	CNTCFDNGAOAQNF-HOTGVXAUSA-N	0	3	318.417	2.580	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)cc1	ZINC000271628135	334024754	/nfs/dbraw/zinc/02/47/54/334024754.db2.gz	YDLGUKWXPLUQCH-UHFFFAOYSA-N	0	3	307.825	2.924	20	30		DFEDHN
CC(C)(C#N)CC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1	ZINC000272041231	334030058	/nfs/dbraw/zinc/03/00/58/334030058.db2.gz	RAYLPNVTRDDYIV-UHFFFAOYSA-N	0	3	315.417	2.983	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000272041231	334030060	/nfs/dbraw/zinc/03/00/60/334030060.db2.gz	RAYLPNVTRDDYIV-UHFFFAOYSA-N	0	3	315.417	2.983	20	30		DFEDHN
Cc1cc([C@@H](NCCC(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000272076597	334030427	/nfs/dbraw/zinc/03/04/27/334030427.db2.gz	KPYXYEULRAEZFX-SFHVURJKSA-N	0	3	317.408	2.937	20	30		DFEDHN
Cc1cc([C@H](NCCC(=O)N(C)CCC#N)C2CC2)ccc1F	ZINC000272076595	334030490	/nfs/dbraw/zinc/03/04/90/334030490.db2.gz	KPYXYEULRAEZFX-GOSISDBHSA-N	0	3	317.408	2.937	20	30		DFEDHN
CC1(C#N)CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000272608519	334038038	/nfs/dbraw/zinc/03/80/38/334038038.db2.gz	SAURHZMSHAQDDT-CQSZACIVSA-N	0	3	313.401	2.533	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)NCCCC#N)N2CCCC2)cc1	ZINC000273160949	334043671	/nfs/dbraw/zinc/04/36/71/334043671.db2.gz	ZSXRKVFXYNEJBG-QGZVFWFLSA-N	0	3	314.433	2.735	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)C1(C#N)CCC1)C1CC1	ZINC000274833738	334067029	/nfs/dbraw/zinc/06/70/29/334067029.db2.gz	AJUGIPPHFHLIKK-QGZVFWFLSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1	ZINC000274941268	334068050	/nfs/dbraw/zinc/06/80/50/334068050.db2.gz	NSVPXKXTEAYECG-INIZCTEOSA-N	0	3	313.445	2.907	20	30		DFEDHN
COc1ccc(CN(CCO)C2CCC2)cc1OCCCC#N	ZINC000276001761	334074287	/nfs/dbraw/zinc/07/42/87/334074287.db2.gz	NTHCWAYUNJBILE-UHFFFAOYSA-N	0	3	318.417	2.725	20	30		DFEDHN
C[C@@H](CCC#N)N(C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000276357367	334076174	/nfs/dbraw/zinc/07/61/74/334076174.db2.gz	XRAAXWNWQVATFB-GJZGRUSLSA-N	0	3	307.463	2.745	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1	ZINC000277674059	334090077	/nfs/dbraw/zinc/09/00/77/334090077.db2.gz	FURCEIDBIVWQCG-YQVWRLOYSA-N	0	3	313.445	2.967	20	30		DFEDHN
CCN(CCC#N)C(=O)CSCCN(C)Cc1ccccc1	ZINC000278552075	334097788	/nfs/dbraw/zinc/09/77/88/334097788.db2.gz	BQBKGXYFQLSPJN-UHFFFAOYSA-N	0	3	319.474	2.614	20	30		DFEDHN
CSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1	ZINC000279884202	334112690	/nfs/dbraw/zinc/11/26/90/334112690.db2.gz	CQTVUSYCNQRFKJ-HNNXBMFYSA-N	0	3	313.426	2.642	20	30		DFEDHN
COCCN(CCCC1(C#N)CCOCC1)Cc1cccnc1	ZINC000281432852	334126113	/nfs/dbraw/zinc/12/61/13/334126113.db2.gz	SQJQBWSMUNGEGO-UHFFFAOYSA-N	0	3	317.433	2.631	20	30		DFEDHN
Cc1cnc(CCNCc2cccc(OCCCC#N)c2)nc1	ZINC000340103973	334127319	/nfs/dbraw/zinc/12/73/19/334127319.db2.gz	HEKSRQYQHOEYHN-UHFFFAOYSA-N	0	3	310.401	2.800	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000340103787	334127380	/nfs/dbraw/zinc/12/73/80/334127380.db2.gz	PFNHOVOBNMHAOC-WOPDTQHZSA-N	0	3	319.371	2.560	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](c2cccs2)C[C@H]1C	ZINC000366641152	334148356	/nfs/dbraw/zinc/14/83/56/334148356.db2.gz	INHHHEGIRUDAOP-KFWWJZLASA-N	0	3	319.474	2.934	20	30		DFEDHN
CN(CCCSCC#N)CCc1nc(-c2ccccc2)no1	ZINC000286128432	334151309	/nfs/dbraw/zinc/15/13/09/334151309.db2.gz	VBCVROVYDQSNMN-UHFFFAOYSA-N	0	3	316.430	2.858	20	30		DFEDHN
N#CC1(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CCC1	ZINC000288584631	334161190	/nfs/dbraw/zinc/16/11/90/334161190.db2.gz	XRGPRXGNBRYZHT-LJQANCHMSA-N	0	3	323.440	2.805	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1N(C)C	ZINC000343584370	335179517	/nfs/dbraw/zinc/17/95/17/335179517.db2.gz	OEURUKZZBRXBEF-HZPDHXFCSA-N	0	3	308.878	2.669	20	30		DFEDHN
CC(C)(C#N)CCN1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288869714	334162511	/nfs/dbraw/zinc/16/25/11/334162511.db2.gz	QJXMGGBIPPSWSK-SFHVURJKSA-N	0	3	304.409	2.992	20	30		DFEDHN
CN(C)c1ncccc1O[C@@H]1CCN(CCCC(C)(C)C#N)C1	ZINC000289393109	334164825	/nfs/dbraw/zinc/16/48/25/334164825.db2.gz	REUZAGBWCBPCSE-OAHLLOKOSA-N	0	3	316.449	2.931	20	30		DFEDHN
Cc1nnc(CCNCc2ccc(N(C)CCC#N)cc2)s1	ZINC000290024599	334170549	/nfs/dbraw/zinc/17/05/49/334170549.db2.gz	ZWIRQPAOCSWUMQ-UHFFFAOYSA-N	0	3	315.446	2.529	20	30		DFEDHN
C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(N2CCCNC2=O)cc1	ZINC000291160438	334176983	/nfs/dbraw/zinc/17/69/83/334176983.db2.gz	IJGZUYRMKFEAGB-DZKIICNBSA-N	0	3	312.417	2.949	20	30		DFEDHN
CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000291378771	334178098	/nfs/dbraw/zinc/17/80/98/334178098.db2.gz	DYSGRSJPCPXFOE-APWZRJJASA-N	0	3	311.429	2.707	20	30		DFEDHN
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCCC#N	ZINC000291634068	334180379	/nfs/dbraw/zinc/18/03/79/334180379.db2.gz	BGLWPDVJNKYICE-QGZVFWFLSA-N	0	3	314.433	2.588	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCCC#N	ZINC000291869844	334182632	/nfs/dbraw/zinc/18/26/32/334182632.db2.gz	IBPRWIRLRBGZKA-KRWDZBQOSA-N	0	3	301.434	2.953	20	30		DFEDHN
N#CCCCC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000292485717	334188562	/nfs/dbraw/zinc/18/85/62/334188562.db2.gz	ZWPFNOLDYBTXRZ-UHFFFAOYSA-N	0	3	305.447	2.770	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1OCCCC#N	ZINC000292770286	334192095	/nfs/dbraw/zinc/19/20/95/334192095.db2.gz	KKPAERBEGWQACY-HOCLYGCPSA-N	0	3	318.417	2.723	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)C1	ZINC000292787850	334192362	/nfs/dbraw/zinc/19/23/62/334192362.db2.gz	LGYKQKUCOLNVAC-DAXOMENPSA-N	0	3	316.380	2.714	20	30		DFEDHN
CCc1ccc([C@@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)cc1	ZINC000293231482	334196640	/nfs/dbraw/zinc/19/66/40/334196640.db2.gz	HHKZYYLZYPZWJN-MAUKXSAKSA-N	0	3	313.445	2.799	20	30		DFEDHN
C=CC[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000340440214	334202203	/nfs/dbraw/zinc/20/22/03/334202203.db2.gz	HYGFWEDDSXNNLX-TUAOUCFPSA-N	0	3	306.372	2.976	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)C1	ZINC000294375601	334208684	/nfs/dbraw/zinc/20/86/84/334208684.db2.gz	ZQXSAQWSICBUCF-LJQANCHMSA-N	0	3	323.440	2.800	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000294535282	334210671	/nfs/dbraw/zinc/21/06/71/334210671.db2.gz	JZQNAQDKEFXWGH-KCQAQPDRSA-N	0	3	302.374	2.581	20	30		DFEDHN
C=CCc1cc(CN[C@@H](CC)[C@@H](O)C(F)F)cc(OC)c1O	ZINC000294927310	334214344	/nfs/dbraw/zinc/21/43/44/334214344.db2.gz	BITXOMQTUZLSEU-SWLSCSKDSA-N	0	3	315.360	2.624	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN(C2CC2)C1	ZINC000295220427	334220909	/nfs/dbraw/zinc/22/09/09/334220909.db2.gz	AKDFSJGMSSSOGT-OAHLLOKOSA-N	0	3	323.440	2.798	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000298524469	334249408	/nfs/dbraw/zinc/24/94/08/334249408.db2.gz	TZBXZEHIMINRRF-BHYGNILZSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)N1[C@H](C)CC[C@@H]1C	ZINC000298831646	334251607	/nfs/dbraw/zinc/25/16/07/334251607.db2.gz	HSJCLJVVFCAKPQ-XHSDSOJGSA-N	0	3	314.433	2.585	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccco1)N1[C@H](C)CC[C@H]1C	ZINC000298811916	334251635	/nfs/dbraw/zinc/25/16/35/334251635.db2.gz	FXYUJQUZDQYKKL-KFWWJZLASA-N	0	3	303.406	2.783	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)N1[C@H](C)CC[C@H]1C	ZINC000298831640	334251644	/nfs/dbraw/zinc/25/16/44/334251644.db2.gz	HSJCLJVVFCAKPQ-OAGGEKHMSA-N	0	3	314.433	2.585	20	30		DFEDHN
C[C@@H]1CCC[C@@](C/N=C/c2ccc(O)c([O-])c2O)([NH+](C)C)C1	ZINC000299011794	334252282	/nfs/dbraw/zinc/25/22/82/334252282.db2.gz	DAAUUSMUGXTCCU-UQHFZTGISA-N	0	3	306.406	2.733	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000121158229	334341388	/nfs/dbraw/zinc/34/13/88/334341388.db2.gz	NFYZQBCVDLCGFO-ZBFHGGJFSA-N	0	3	302.418	2.913	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(OC)cc1OC(F)F	ZINC000341266799	334426839	/nfs/dbraw/zinc/42/68/39/334426839.db2.gz	AWTDIAFUTKGNFN-LLVKDONJSA-N	0	3	301.333	2.571	20	30		DFEDHN
CN(C)CC1(NC(=O)c2cccc(SCC#N)c2)CCC1	ZINC000341964189	334498019	/nfs/dbraw/zinc/49/80/19/334498019.db2.gz	AFRFTDBMCYVYTJ-UHFFFAOYSA-N	0	3	303.431	2.516	20	30		DFEDHN
C=CC[C@@H](CO)CNC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000342179238	334515109	/nfs/dbraw/zinc/51/51/09/334515109.db2.gz	KYEAWEWHVJWAIV-QGZVFWFLSA-N	0	3	316.445	2.587	20	30		DFEDHN
N#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1	ZINC000415389720	334612252	/nfs/dbraw/zinc/61/22/52/334612252.db2.gz	ZUVQSXVSLJJHAG-CQSZACIVSA-N	0	3	303.793	2.649	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CNC)c1	ZINC000415956734	334635755	/nfs/dbraw/zinc/63/57/55/334635755.db2.gz	IYDFSQRCMXWLNT-GDBMZVCRSA-N	0	3	303.406	2.509	20	30		DFEDHN
CC1CCN(C[C@H](O)CNC(=O)c2sccc2Cl)CC1	ZINC000330619565	334797580	/nfs/dbraw/zinc/79/75/80/334797580.db2.gz	ZHSRBXQKPWQQFO-LLVKDONJSA-N	0	3	316.854	2.799	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000076084217	334914963	/nfs/dbraw/zinc/91/49/63/334914963.db2.gz	GLWJCZBUJCKUSZ-AWEZNQCLSA-N	0	3	300.406	2.749	20	30		DFEDHN
Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CCCC#N)C1	ZINC000343735646	335192826	/nfs/dbraw/zinc/19/28/26/335192826.db2.gz	KNBRHBUPRUPWIS-LLVKDONJSA-N	0	3	300.328	2.922	20	30		DFEDHN
COC[C@@H]1C[C@@H](OC)CN1Cc1cccc(OCCCC#N)c1	ZINC000343871153	335198927	/nfs/dbraw/zinc/19/89/27/335198927.db2.gz	KZLHVPDEMBZURU-FUHWJXTLSA-N	0	3	318.417	2.605	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000343830335	335200203	/nfs/dbraw/zinc/20/02/03/335200203.db2.gz	MJOYBSZLNYOVDP-ZBFHGGJFSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C	ZINC000344236437	335230922	/nfs/dbraw/zinc/23/09/22/335230922.db2.gz	MPYRCMPBSFXNAF-UKRRQHHQSA-N	0	3	307.463	2.928	20	30		DFEDHN
C=CCCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000344579260	335259686	/nfs/dbraw/zinc/25/96/86/335259686.db2.gz	VSJDJFMEBKIUAG-UHFFFAOYSA-N	0	3	316.445	2.587	20	30		DFEDHN
C=CCn1cccc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000344779121	335276777	/nfs/dbraw/zinc/27/67/77/335276777.db2.gz	UBVRFKPGDGPXBL-HNNXBMFYSA-N	0	3	301.434	2.621	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1	ZINC000345006503	335290819	/nfs/dbraw/zinc/29/08/19/335290819.db2.gz	FCIIGLFRJFTJSS-CJNGLKHVSA-N	0	3	303.406	2.856	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(CC)C2)cc1	ZINC000345123687	335303334	/nfs/dbraw/zinc/30/33/34/335303334.db2.gz	WBACLDBGDNLQBM-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000345369022	335320990	/nfs/dbraw/zinc/32/09/90/335320990.db2.gz	AFRIUONQWJBVLP-INIZCTEOSA-N	0	3	311.429	2.924	20	30		DFEDHN
Cc1nc(-c2ccc(CCNC(=O)C(C)C#N)s2)cs1	ZINC000345659088	335344202	/nfs/dbraw/zinc/34/42/02/335344202.db2.gz	IAUGDSNRNBCXAS-VIFPVBQESA-N	0	3	305.428	2.998	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)C(C)C#N)c1ccccc1Cl	ZINC000345661037	335344495	/nfs/dbraw/zinc/34/44/95/335344495.db2.gz	KADFWCOJFBCDBG-DOMZBBRYSA-N	0	3	307.825	2.999	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN(CCC(C)(C)C#N)CC2)C1	ZINC000345720732	335345704	/nfs/dbraw/zinc/34/57/04/335345704.db2.gz	ZVZQLEXDTFBMOM-OAHLLOKOSA-N	0	3	305.466	2.897	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000346042876	335370636	/nfs/dbraw/zinc/37/06/36/335370636.db2.gz	FBKUWCBZYTZIHQ-IRXDYDNUSA-N	0	3	301.434	2.915	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000346070435	335372474	/nfs/dbraw/zinc/37/24/74/335372474.db2.gz	KEGQLTWLPBTJBG-ZACQAIPSSA-N	0	3	308.466	2.958	20	30		DFEDHN
CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(OC)cc1	ZINC000346514579	335414637	/nfs/dbraw/zinc/41/46/37/335414637.db2.gz	BKMZDPIASWICTQ-XJKSGUPXSA-N	0	3	315.417	2.687	20	30		DFEDHN
C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc2c(c1)CCCC2	ZINC000347016388	335459766	/nfs/dbraw/zinc/45/97/66/335459766.db2.gz	OIDOJDKXRIXHCZ-CQSZACIVSA-N	0	3	311.429	2.778	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C(F)F)C(C)C	ZINC000348018177	335542438	/nfs/dbraw/zinc/54/24/38/335542438.db2.gz	YWWWQULAMCZZEL-MELADBBJSA-N	0	3	315.408	2.638	20	30		DFEDHN
C=CCOCCCN[C@H](CO)c1ccc(Br)cc1	ZINC000348041140	335547199	/nfs/dbraw/zinc/54/71/99/335547199.db2.gz	WHVXFKYHQBLECO-CQSZACIVSA-N	0	3	314.223	2.665	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC(C2CCC2)C1	ZINC000348996096	335627313	/nfs/dbraw/zinc/62/73/13/335627313.db2.gz	OVUVILJPLCAZGE-SFHVURJKSA-N	0	3	301.430	2.887	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)NC2(C#N)CCCCC2)C[C@@H]1OC	ZINC000191364718	335682629	/nfs/dbraw/zinc/68/26/29/335682629.db2.gz	WTFFMYOCXAYXBF-CABCVRRESA-N	0	3	321.465	2.512	20	30		DFEDHN
CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000191364769	335682636	/nfs/dbraw/zinc/68/26/36/335682636.db2.gz	WTFFMYOCXAYXBF-LSDHHAIUSA-N	0	3	321.465	2.512	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1	ZINC000349759768	335697622	/nfs/dbraw/zinc/69/76/22/335697622.db2.gz	RMGRXIKYVOITQW-KBPBESRZSA-N	0	3	303.324	2.920	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C(=O)OCC)c(Cl)cn2)CC1	ZINC000350482182	335756950	/nfs/dbraw/zinc/75/69/50/335756950.db2.gz	SFYUTYOUXJOJCZ-UHFFFAOYSA-N	0	3	323.824	2.974	20	30		DFEDHN
C=CCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1	ZINC000052497348	335793679	/nfs/dbraw/zinc/79/36/79/335793679.db2.gz	HQRBIZYHSPPPBM-QGZVFWFLSA-N	0	3	301.434	2.945	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N1CCCC[C@H]1c1cc[nH]n1	ZINC000329248285	335955511	/nfs/dbraw/zinc/95/55/11/335955511.db2.gz	SJKKFFQEDNPKDL-ZBFHGGJFSA-N	0	3	319.453	2.725	20	30		DFEDHN
O=C(CNC(=O)C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1	ZINC000329266289	335957535	/nfs/dbraw/zinc/95/75/35/335957535.db2.gz	GCZZERNELGUXGI-MRXNPFEDSA-N	0	3	321.465	2.610	20	30		DFEDHN
Cc1ccc2nccc(N3CC[C@H](NC(=O)NC4CC4)C3)c2c1	ZINC000329438351	335976244	/nfs/dbraw/zinc/97/62/44/335976244.db2.gz	APWPDBAEKBISLF-AWEZNQCLSA-N	0	3	310.401	2.788	20	30		DFEDHN
C=CCN(CCc1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000367115128	336005358	/nfs/dbraw/zinc/00/53/58/336005358.db2.gz	RPUZWOACXBZRCQ-FQEVSTJZSA-N	0	3	324.472	2.725	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cn(C)nc1C1CC1	ZINC000329628989	336016614	/nfs/dbraw/zinc/01/66/14/336016614.db2.gz	QDXDCJIEDHWHEV-GFCCVEGCSA-N	0	3	319.453	2.505	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@H](C)CCC#N)CC2)c(C)o1	ZINC000351274153	336025139	/nfs/dbraw/zinc/02/51/39/336025139.db2.gz	YLBDNIADTHYOOS-GFCCVEGCSA-N	0	3	303.406	2.783	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329640498	336025387	/nfs/dbraw/zinc/02/53/87/336025387.db2.gz	XDSPUJHJTBGKEC-MGPQQGTHSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(c2nc3ccccc3o2)[C@H](C)C1	ZINC000351592794	336048299	/nfs/dbraw/zinc/04/82/99/336048299.db2.gz	AMWZTBCWIVMBTH-CABCVRRESA-N	0	3	315.417	2.665	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC(C)(C)C#N)C1	ZINC000351856903	336073922	/nfs/dbraw/zinc/07/39/22/336073922.db2.gz	YNZZLDIJTZGZDG-GDBMZVCRSA-N	0	3	314.433	2.671	20	30		DFEDHN
Cc1cnc([C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C2CC2)s1	ZINC000329823652	336086723	/nfs/dbraw/zinc/08/67/23/336086723.db2.gz	ZOGFNONLLFEBNY-TZMCWYRMSA-N	0	3	320.462	2.643	20	30		DFEDHN
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000329882947	336092162	/nfs/dbraw/zinc/09/21/62/336092162.db2.gz	QMHFFXGJDHPGMJ-IAGOWNOFSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1	ZINC000329924973	336095795	/nfs/dbraw/zinc/09/57/95/336095795.db2.gz	HYLYDLCARDIBTD-GHMZBOCLSA-N	0	3	311.451	2.910	20	30		DFEDHN
CCC[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCc3nccn3C2)C1	ZINC000329957357	336099669	/nfs/dbraw/zinc/09/96/69/336099669.db2.gz	PKAHDTBGWUEDIX-CABCVRRESA-N	0	3	304.438	2.872	20	30		DFEDHN
CC(C)Cn1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cn1	ZINC000329962136	336100325	/nfs/dbraw/zinc/10/03/25/336100325.db2.gz	RZKVFPNIBQKHER-MRXNPFEDSA-N	0	3	304.438	2.861	20	30		DFEDHN
CN(C)C1(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CCC1	ZINC000329964144	336100428	/nfs/dbraw/zinc/10/04/28/336100428.db2.gz	QJEVQWQNBYLEOV-NSHDSACASA-N	0	3	309.435	2.784	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)NCC2CCN(c3ccncc3)CC2)CO1	ZINC000329999811	336104588	/nfs/dbraw/zinc/10/45/88/336104588.db2.gz	VJPYESZVKIBLNI-HIFRSBDPSA-N	0	3	303.406	2.680	20	30		DFEDHN
CC(C(=O)N[C@@H](C)C1CCCC1)S(=O)(=O)C1CCOCC1	ZINC000330102939	336113605	/nfs/dbraw/zinc/11/36/05/336113605.db2.gz	FYYFDXRVYSYZOB-RYUDHWBXSA-N	0	3	317.451	2.504	20	30		DFEDHN
CN(C)C1(CNC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCC1	ZINC000330104571	336113857	/nfs/dbraw/zinc/11/38/57/336113857.db2.gz	JCBGAIKEUDZTGW-HNNXBMFYSA-N	0	3	323.481	2.856	20	30		DFEDHN
CC(C(=O)N[C@H]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330117590	336114971	/nfs/dbraw/zinc/11/49/71/336114971.db2.gz	XEXKJGWXOHIONX-UPJWGTAASA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCOC2(CCC2)C1	ZINC000330222546	336126371	/nfs/dbraw/zinc/12/63/71/336126371.db2.gz	RXHIYGIJAZKQCK-OWCLPIDISA-N	0	3	323.481	2.712	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCC[C@@H](C#N)C2)cn1	ZINC000331858152	336150787	/nfs/dbraw/zinc/15/07/87/336150787.db2.gz	AVZBCGCDLPBXHY-MXASKKJJSA-N	0	3	302.422	2.795	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1	ZINC000331870033	336151102	/nfs/dbraw/zinc/15/11/02/336151102.db2.gz	UNLIERKUMBUOGR-AESZEHBQSA-N	0	3	302.422	2.966	20	30		DFEDHN
C[C@@H]1C[C@@H](CN2CCN([C@H](C#N)c3ccccc3)CC2)CCO1	ZINC000352739706	336233297	/nfs/dbraw/zinc/23/32/97/336233297.db2.gz	NMGODVLYKPWEHD-ZIFCJYIRSA-N	0	3	313.445	2.684	20	30		DFEDHN
C=C(C)CN(CCN1CCC(C)CC1)Cc1ccc(CO)o1	ZINC000352789965	336236793	/nfs/dbraw/zinc/23/67/93/336236793.db2.gz	CRSUPBWCOGXBCL-UHFFFAOYSA-N	0	3	306.450	2.882	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1	ZINC000103451923	336240951	/nfs/dbraw/zinc/24/09/51/336240951.db2.gz	MPJWSGOSMRUFGR-UHFFFAOYSA-N	0	3	302.418	2.665	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC(C)(C)CCC#N)CC1	ZINC000352819222	336254806	/nfs/dbraw/zinc/25/48/06/336254806.db2.gz	NAMHAUPKZWMRBX-UHFFFAOYSA-N	0	3	306.454	2.656	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(C)o1)C(C)C	ZINC000532803515	336271779	/nfs/dbraw/zinc/27/17/79/336271779.db2.gz	LIPSNKBOTXGTCL-QGZVFWFLSA-N	0	3	304.434	2.945	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1nc(CC)oc1C)C(C)C	ZINC000352859529	336281934	/nfs/dbraw/zinc/28/19/34/336281934.db2.gz	FYLXDVDQCPQVRP-HNNXBMFYSA-N	0	3	319.449	2.974	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000417987051	336283917	/nfs/dbraw/zinc/28/39/17/336283917.db2.gz	QXCUAGFCWIQATF-HYVNUMGLSA-N	0	3	301.434	2.868	20	30		DFEDHN
CC(C)(C#N)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000417997993	336288511	/nfs/dbraw/zinc/28/85/11/336288511.db2.gz	SRFJIFJBJZIJHP-MRXNPFEDSA-N	0	3	310.401	2.689	20	30		DFEDHN
C=C(C)CN(CCc1cnn(C)c1)Cc1cnn(C(C)C)c1	ZINC000352921772	336377091	/nfs/dbraw/zinc/37/70/91/336377091.db2.gz	LMZGVLXXTDQVQI-UHFFFAOYSA-N	0	3	301.438	2.818	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NC[C@H](C)N(C)C1CC1	ZINC000111856440	336398716	/nfs/dbraw/zinc/39/87/16/336398716.db2.gz	ZXQOLWGCHZIYJA-AWEZNQCLSA-N	0	3	317.433	2.533	20	30		DFEDHN
C#CCOc1ccc(CNC[C@@H](O)c2ccc(OC)cc2)cc1	ZINC000113318527	336400596	/nfs/dbraw/zinc/40/05/96/336400596.db2.gz	XLSZTHMBAXDATP-LJQANCHMSA-N	0	3	311.381	2.530	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1	ZINC000356306471	336545622	/nfs/dbraw/zinc/54/56/22/336545622.db2.gz	LJHLTOPKMPBSLO-WBVHZDCISA-N	0	3	314.429	2.950	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1	ZINC000358197684	336616316	/nfs/dbraw/zinc/61/63/16/336616316.db2.gz	FXTLGCIPZACDFC-MSOLQXFVSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCOc1ccccc1CNCC1(C(=O)NCC)CCC1	ZINC000362986735	336817121	/nfs/dbraw/zinc/81/71/21/336817121.db2.gz	NTSDEOAMECPNAB-UHFFFAOYSA-N	0	3	302.418	2.647	20	30		DFEDHN
COC(=O)C(C)(C)CCNC1CC(C#N)(c2ccccc2)C1	ZINC000368044432	336836606	/nfs/dbraw/zinc/83/66/06/336836606.db2.gz	SBSNTVNYEHYMRE-UHFFFAOYSA-N	0	3	300.402	2.789	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C)CN1	ZINC000418206759	336905214	/nfs/dbraw/zinc/90/52/14/336905214.db2.gz	ASPGZDUUQYMTPN-BFYDXBDKSA-N	0	3	314.433	2.813	20	30		DFEDHN
C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000418208275	336905828	/nfs/dbraw/zinc/90/58/28/336905828.db2.gz	CZNSIZZXXCHIDH-ZMSDIMECSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H]2CCCOC2)CC1	ZINC000371636332	336909552	/nfs/dbraw/zinc/90/95/52/336909552.db2.gz	BZDIEFYKBJOOMF-FUHWJXTLSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=C[C@H](CC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1	ZINC000121861451	336981879	/nfs/dbraw/zinc/98/18/79/336981879.db2.gz	ICGKIVNQAPARBX-OAHLLOKOSA-N	0	3	312.417	2.743	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000375406608	337010665	/nfs/dbraw/zinc/01/06/65/337010665.db2.gz	UQYOMZFRAQJBON-MRXNPFEDSA-N	0	3	323.396	2.949	20	30		DFEDHN
C#CCCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000375562128	337013474	/nfs/dbraw/zinc/01/34/74/337013474.db2.gz	BUGVZNAFZNYEBG-QZTJIDSGSA-N	0	3	313.445	2.782	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)c2ccc(-c3cncnc3)cc2)C1=O	ZINC000375638758	337015401	/nfs/dbraw/zinc/01/54/01/337015401.db2.gz	JDKDZOFGHLKEQK-KSSFIOAISA-N	0	3	322.412	2.581	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2CCc3nnc(CC)n3C2)cc1	ZINC000376181279	337029056	/nfs/dbraw/zinc/02/90/56/337029056.db2.gz	LINDSLLMYWPYKG-GOEBONIOSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000376251739	337030001	/nfs/dbraw/zinc/03/00/01/337030001.db2.gz	FJPSLBSOIWWIHX-FUHWJXTLSA-N	0	3	308.466	2.692	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CCCN(CCC)CC1	ZINC000376309395	337031111	/nfs/dbraw/zinc/03/11/11/337031111.db2.gz	VSMJCCVDTHXREQ-INIZCTEOSA-N	0	3	311.470	2.902	20	30		DFEDHN
CC(C)(C#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000376405361	337032794	/nfs/dbraw/zinc/03/27/94/337032794.db2.gz	DVVPGOSPRATBJH-IBGZPJMESA-N	0	3	311.429	2.661	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000376745934	337040394	/nfs/dbraw/zinc/04/03/94/337040394.db2.gz	KOFWXJXJVGEXMX-IBGZPJMESA-N	0	3	322.452	2.678	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000377006211	337045172	/nfs/dbraw/zinc/04/51/72/337045172.db2.gz	PQZPGRBZDRCXLL-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C#Cc1ccc(CN2CCCN(c3cncc(F)c3)CC2)cc1	ZINC000377542035	337054738	/nfs/dbraw/zinc/05/47/38/337054738.db2.gz	NHCXYTWJGTZNSA-UHFFFAOYSA-N	0	3	309.388	2.914	20	30		DFEDHN
C=CCN(C(=O)C[C@H](C)OC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000377572670	337055532	/nfs/dbraw/zinc/05/55/32/337055532.db2.gz	KSWFGBDUKLMANF-FUHWJXTLSA-N	0	3	316.445	2.701	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2cccs2)C[C@@H]1C	ZINC000377804239	337061523	/nfs/dbraw/zinc/06/15/23/337061523.db2.gz	FGWAQXRWLFZQQZ-KBPBESRZSA-N	0	3	305.447	2.688	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1	ZINC000377890266	337063494	/nfs/dbraw/zinc/06/34/94/337063494.db2.gz	TXBGBIYLSSNUEN-ZBFHGGJFSA-N	0	3	310.401	2.700	20	30		DFEDHN
CN1C[C@H](NC(=O)c2cccc(CC#N)c2)[C@@H](c2ccccc2)C1	ZINC000378318217	337069862	/nfs/dbraw/zinc/06/98/62/337069862.db2.gz	YYSOVRDGGLFYNW-MOPGFXCFSA-N	0	3	319.408	2.580	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)CC1(N2CCOCC2)CCCC1	ZINC000378446676	337072969	/nfs/dbraw/zinc/07/29/69/337072969.db2.gz	BDJBFPZDRPGFCY-INIZCTEOSA-N	0	3	308.466	2.883	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000171558279	337088151	/nfs/dbraw/zinc/08/81/51/337088151.db2.gz	AWJVSGPJIVXFML-XHSDSOJGSA-N	0	3	305.466	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CCC)C[C@H]2CCCCO2)CC1	ZINC000171741290	337089088	/nfs/dbraw/zinc/08/90/88/337089088.db2.gz	SMRJHQDWSYNLRS-QGZVFWFLSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1	ZINC000172185642	337090248	/nfs/dbraw/zinc/09/02/48/337090248.db2.gz	ROFXCMANQINCTN-HNNXBMFYSA-N	0	3	303.406	2.777	20	30		DFEDHN
C=CCCCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000175523606	337147861	/nfs/dbraw/zinc/14/78/61/337147861.db2.gz	FBQOCKXPMFGMST-IYBDPMFKSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)C[C@H]2CCCN2CC)cc1	ZINC000176988282	337153952	/nfs/dbraw/zinc/15/39/52/337153952.db2.gz	VUKIWLGFAUPKIC-MRXNPFEDSA-N	0	3	302.418	2.808	20	30		DFEDHN
C[C@H]1CC[C@@H](C(N)=O)CN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177278283	337156638	/nfs/dbraw/zinc/15/66/38/337156638.db2.gz	LJPQUNGVKUTZLC-GXTWGEPZSA-N	0	3	324.346	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000178775237	337165047	/nfs/dbraw/zinc/16/50/47/337165047.db2.gz	NJEHGTBPAWNMRA-HZPDHXFCSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC)c2c(C)noc2C)CC1	ZINC000179358110	337167544	/nfs/dbraw/zinc/16/75/44/337167544.db2.gz	ZFWNQUORAKAIJC-HNNXBMFYSA-N	0	3	320.437	2.692	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000180514972	337176072	/nfs/dbraw/zinc/17/60/72/337176072.db2.gz	CHWYYYJLWRPFJT-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000181322700	337181201	/nfs/dbraw/zinc/18/12/01/337181201.db2.gz	NCHHZNLUZKTAEQ-ZDUSSCGKSA-N	0	3	303.324	2.953	20	30		DFEDHN
C#CCOc1ccc(CN2CCCN(c3ccccn3)CC2)cc1	ZINC000184809769	337200261	/nfs/dbraw/zinc/20/02/61/337200261.db2.gz	KSWDWVOXSKRFSR-UHFFFAOYSA-N	0	3	321.424	2.806	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000582843682	337208383	/nfs/dbraw/zinc/20/83/83/337208383.db2.gz	UOQKJQPHAPGFKD-GRYCIOLGSA-N	0	3	317.355	2.648	20	30		DFEDHN
C=CCNc1ncc(C(=O)N[C@@H](C)CN2CCCCCC2)s1	ZINC000186330875	337255316	/nfs/dbraw/zinc/25/53/16/337255316.db2.gz	LMCDYEPXMYLUDD-ZDUSSCGKSA-N	0	3	322.478	2.735	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000188854078	337275813	/nfs/dbraw/zinc/27/58/13/337275813.db2.gz	XBYUXRUQSCIHQT-TVPLGVNVSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H]2CCCO2)CC1	ZINC000189245920	337277710	/nfs/dbraw/zinc/27/77/10/337277710.db2.gz	MMONGIXIJWGEEF-DOTOQJQBSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCN(CCOC)CCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000191085754	337293748	/nfs/dbraw/zinc/29/37/48/337293748.db2.gz	UCJSQCZTJAUCPQ-GOSISDBHSA-N	0	3	316.445	2.705	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncnc1C1CC1	ZINC000583735252	337327450	/nfs/dbraw/zinc/32/74/50/337327450.db2.gz	MSWDJRSSVUYSHT-GFCCVEGCSA-N	0	3	317.352	2.731	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cncnc1C1CC1	ZINC000583735252	337327451	/nfs/dbraw/zinc/32/74/51/337327451.db2.gz	MSWDJRSSVUYSHT-GFCCVEGCSA-N	0	3	317.352	2.731	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000584530464	337356754	/nfs/dbraw/zinc/35/67/54/337356754.db2.gz	OLTJHXCSSFPATM-PXAZEXFGSA-N	0	3	303.369	2.624	20	30		DFEDHN
C=CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1	ZINC000111258069	337389534	/nfs/dbraw/zinc/38/95/34/337389534.db2.gz	SZUDYCAPWMJWMY-UHFFFAOYSA-N	0	3	323.440	2.951	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccccn1)C(C)C	ZINC000123634580	337400222	/nfs/dbraw/zinc/40/02/22/337400222.db2.gz	JFHRLHZODHQVIO-KRWDZBQOSA-N	0	3	316.449	2.579	20	30		DFEDHN
N#CC1(c2ccccc2)CC(NCc2ccc(NC(N)=O)cc2)C1	ZINC000125772712	337413779	/nfs/dbraw/zinc/41/37/79/337413779.db2.gz	TUPYDEXWKGYDOB-UHFFFAOYSA-N	0	3	320.396	2.891	20	30		DFEDHN
C=CCOCCCC(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000129962035	337431419	/nfs/dbraw/zinc/43/14/19/337431419.db2.gz	YBVMSLXPVZMQHQ-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(O)cc2Cl)CC1	ZINC000133377882	337445206	/nfs/dbraw/zinc/44/52/06/337445206.db2.gz	OYEIDCZGIMCWPE-UHFFFAOYSA-N	0	3	322.836	2.745	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000248749082	337567173	/nfs/dbraw/zinc/56/71/73/337567173.db2.gz	FQLHWMLKUQXEBZ-GZBFAFLISA-N	0	3	306.431	2.823	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000248989404	337569157	/nfs/dbraw/zinc/56/91/57/337569157.db2.gz	NALLKWKTZHOOMV-JHJVBQTASA-N	0	3	319.355	2.742	20	30		DFEDHN
N#CCCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1	ZINC000076968436	337574630	/nfs/dbraw/zinc/57/46/30/337574630.db2.gz	JIMRGLDILFWDRY-UHFFFAOYSA-N	0	3	304.369	2.715	20	30		DFEDHN
C=CCN1CCC(NC(=O)C/C=C\c2ccc(F)cc2)CC1	ZINC000255894848	337602433	/nfs/dbraw/zinc/60/24/33/337602433.db2.gz	ZYHJCUJACCYOMF-ARJAWSKDSA-N	0	3	302.393	2.996	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)[C@H]1NCCCC1(C)C	ZINC000423195592	337703399	/nfs/dbraw/zinc/70/33/99/337703399.db2.gz	ZNXSCHWCXBFOOL-MRXNPFEDSA-N	0	3	302.418	2.646	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCCSc1ccc(Cl)cc1	ZINC000424069611	337731105	/nfs/dbraw/zinc/73/11/05/337731105.db2.gz	VPYPDCMTTIRONO-CYBMUJFWSA-N	0	3	311.838	2.569	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c1	ZINC000424082596	337732036	/nfs/dbraw/zinc/73/20/36/337732036.db2.gz	AFHJFOAIZLFJHL-CJNGLKHVSA-N	0	3	303.406	2.672	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Br	ZINC000424087320	337732151	/nfs/dbraw/zinc/73/21/51/337732151.db2.gz	RJWYEZFFXVRETK-GFCCVEGCSA-N	0	3	310.195	2.717	20	30		DFEDHN
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@H](N)CCCC#N	ZINC000424092900	337733136	/nfs/dbraw/zinc/73/31/36/337733136.db2.gz	QULORFWRQBIBKG-CQSZACIVSA-N	0	3	316.405	2.549	20	30		DFEDHN
CCCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424097942	337733892	/nfs/dbraw/zinc/73/38/92/337733892.db2.gz	KGALFDWKJSNOOE-CJNGLKHVSA-N	0	3	303.406	2.674	20	30		DFEDHN
CC(C)(C)c1cc(NC(=O)[C@H](N)CCCC#N)n(C(C)(C)C)n1	ZINC000424109236	337738219	/nfs/dbraw/zinc/73/82/19/337738219.db2.gz	ZOVGLZBXGJYFSA-GFCCVEGCSA-N	0	3	319.453	2.895	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@H]1c1cccc(F)c1	ZINC000424122787	337747797	/nfs/dbraw/zinc/74/77/97/337747797.db2.gz	JFWOXHSELHXMNP-DAXOMENPSA-N	0	3	303.381	2.756	20	30		DFEDHN
CC1(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c2ccc(F)cc2O1	ZINC000424133415	337752174	/nfs/dbraw/zinc/75/21/74/337752174.db2.gz	ZIVCXPDGMBQMEP-KBPBESRZSA-N	0	3	319.380	2.565	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCC#N)C12CCCCC2	ZINC000424134219	337752795	/nfs/dbraw/zinc/75/27/95/337752795.db2.gz	YBZZVBNBJPQJCY-OWCLPIDISA-N	0	3	321.465	2.594	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCCC1	ZINC000424136681	337756254	/nfs/dbraw/zinc/75/62/54/337756254.db2.gz	NZEUSOLOWCOBGX-CQSZACIVSA-N	0	3	300.406	2.637	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(n3cncn3)CC2)cc1	ZINC000092647958	337907004	/nfs/dbraw/zinc/90/70/04/337907004.db2.gz	VKMUUBICMXWIML-UHFFFAOYSA-N	0	3	310.401	2.517	20	30		DFEDHN
C=CCOc1ccc(CNCCNC(=O)OC(C)(C)C)cc1	ZINC000083454393	337994878	/nfs/dbraw/zinc/99/48/78/337994878.db2.gz	RWJWHXFXVSNVDD-UHFFFAOYSA-N	0	3	306.406	2.866	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccco1	ZINC000425781297	338017373	/nfs/dbraw/zinc/01/73/73/338017373.db2.gz	FCLIEUMCTFOWFR-BARDWOONSA-N	0	3	318.421	2.700	20	30		DFEDHN
CO[C@](C)(CNC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000428269424	338045090	/nfs/dbraw/zinc/04/50/90/338045090.db2.gz	QAUSLJQGKINZCO-CRAIPNDOSA-N	0	3	300.402	2.690	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)c1cc(C)c(C(=O)OC)o1	ZINC000429707495	338087864	/nfs/dbraw/zinc/08/78/64/338087864.db2.gz	JARUPSXMOVLCPP-CQSZACIVSA-N	0	3	308.422	2.875	20	30		DFEDHN
CN1CCC[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000431293939	338127508	/nfs/dbraw/zinc/12/75/08/338127508.db2.gz	GRUFJDVRRURKMV-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000433126969	338182439	/nfs/dbraw/zinc/18/24/39/338182439.db2.gz	QMDNAZROONYUBD-MRXNPFEDSA-N	0	3	322.364	2.804	20	30		DFEDHN
CC(C)C1CCC(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000433133080	338182679	/nfs/dbraw/zinc/18/26/79/338182679.db2.gz	HMIWXBDYFRQMLE-PVARCSIZSA-N	0	3	305.466	2.941	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCOCC1CC1	ZINC000433159264	338183371	/nfs/dbraw/zinc/18/33/71/338183371.db2.gz	DIDXBYCBGBWSAG-QGZVFWFLSA-N	0	3	300.402	2.692	20	30		DFEDHN
CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)C#N	ZINC000433296035	338189979	/nfs/dbraw/zinc/18/99/79/338189979.db2.gz	GSGNMEMKZQEWAA-GOSISDBHSA-N	0	3	315.461	2.759	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N(C[C@@H]1CCOC1)C1CC1	ZINC000433304065	338190622	/nfs/dbraw/zinc/19/06/22/338190622.db2.gz	MHELGRNTAJWEGL-DLBZAZTESA-N	0	3	312.413	2.786	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	ZINC000433362769	338193894	/nfs/dbraw/zinc/19/38/94/338193894.db2.gz	FTRSDZDZSPRIEA-WDSOQIARSA-N	0	3	320.392	2.533	20	30		DFEDHN
C[C@@H](O)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433371733	338194046	/nfs/dbraw/zinc/19/40/46/338194046.db2.gz	FHXPOINVQHQGMQ-GDBMZVCRSA-N	0	3	302.418	2.672	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)CN1C1CC1	ZINC000433388799	338194511	/nfs/dbraw/zinc/19/45/11/338194511.db2.gz	VPCRTKUKPBEHHW-PVAVHDDUSA-N	0	3	311.429	2.500	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C(C)C)C(C)C	ZINC000433797742	338202310	/nfs/dbraw/zinc/20/23/10/338202310.db2.gz	BLSISBWIBAQCNG-KSZLIROESA-N	0	3	322.493	2.862	20	30		DFEDHN
C=CCCCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000436263383	338264339	/nfs/dbraw/zinc/26/43/39/338264339.db2.gz	HGVOZZUVTJDBBD-SJORKVTESA-N	0	3	312.413	2.602	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N1c2ccccc2CC[C@H]1CN(C)C	ZINC000436724613	338284304	/nfs/dbraw/zinc/28/43/04/338284304.db2.gz	ORSVVUKEQMEPBK-WBVHZDCISA-N	0	3	316.445	2.877	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C	ZINC000437632684	338316696	/nfs/dbraw/zinc/31/66/96/338316696.db2.gz	HJLBMERMTLZZHQ-NXOAAHMSSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCCC[C@@H]1CC	ZINC000437711199	338319117	/nfs/dbraw/zinc/31/91/17/338319117.db2.gz	XVGHQLBFLRSVFA-ULQDDVLXSA-N	0	3	323.481	2.531	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1	ZINC000438240994	338337731	/nfs/dbraw/zinc/33/77/31/338337731.db2.gz	WKHUPHLNJMGXDO-KEYYUXOJSA-N	0	3	316.401	2.588	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000448604411	338346290	/nfs/dbraw/zinc/34/62/90/338346290.db2.gz	HYHYTYITJZLIFV-SQNIBIBYSA-N	0	3	314.429	2.531	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000440256873	338384694	/nfs/dbraw/zinc/38/46/94/338384694.db2.gz	DNBDLKADVGVRNQ-NVXWUHKLSA-N	0	3	314.433	2.767	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cccc(Br)c1OC	ZINC000449517677	338633808	/nfs/dbraw/zinc/63/38/08/338633808.db2.gz	GRKCYBIYHGERPS-OLZOCXBDSA-N	0	3	312.207	2.891	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)C1(C)C	ZINC000450966969	338714935	/nfs/dbraw/zinc/71/49/35/338714935.db2.gz	HPXWMVNBSVACBB-BZUAXINKSA-N	0	3	323.481	2.568	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)C1(C)C	ZINC000450966970	338714947	/nfs/dbraw/zinc/71/49/47/338714947.db2.gz	HPXWMVNBSVACBB-HRCADAONSA-N	0	3	323.481	2.568	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000451274937	338728100	/nfs/dbraw/zinc/72/81/00/338728100.db2.gz	XXJFHXYDIIWRGB-BGTYHANMSA-N	0	3	316.445	2.694	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000451604389	338740167	/nfs/dbraw/zinc/74/01/67/338740167.db2.gz	AHWOWUJXCHRDMV-CABCVRRESA-N	0	3	311.303	2.870	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(F)cc1Cl	ZINC000451606214	338740239	/nfs/dbraw/zinc/74/02/39/338740239.db2.gz	MOLBSIXNXPVFHP-FZQKWOKYSA-N	0	3	312.772	2.739	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCCOC)c(OC)c1	ZINC000453359161	338831206	/nfs/dbraw/zinc/83/12/06/338831206.db2.gz	NVQUHJKASISLQT-BMFZPTHFSA-N	0	3	321.417	2.715	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC2(F)F)CC1	ZINC000454465571	338864403	/nfs/dbraw/zinc/86/44/03/338864403.db2.gz	PENQAOCURADCDY-CYBMUJFWSA-N	0	3	315.408	2.762	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CC1	ZINC000458311603	338995628	/nfs/dbraw/zinc/99/56/28/338995628.db2.gz	AUYMPCVWZAQBIU-QZTJIDSGSA-N	0	3	317.477	2.857	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000458593877	339001482	/nfs/dbraw/zinc/00/14/82/339001482.db2.gz	VDWGJRLRIJWXIT-JKSUJKDBSA-N	0	3	314.433	2.623	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000458811605	339006179	/nfs/dbraw/zinc/00/61/79/339006179.db2.gz	PHPLRTSIDKJTDC-ARFHVFGLSA-N	0	3	307.482	2.960	20	30		DFEDHN
C=C(C)CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000459008167	339011003	/nfs/dbraw/zinc/01/10/03/339011003.db2.gz	TWYYKRZYCKXYTM-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)NCC(C)(C)CC#N)CC1	ZINC000459259522	339018126	/nfs/dbraw/zinc/01/81/26/339018126.db2.gz	OJDIZFFQESMHJQ-UHFFFAOYSA-N	0	3	308.470	2.690	20	30		DFEDHN
CN(C)CCN(C(=O)NCC#Cc1ccccc1)C1CCCC1	ZINC000468059086	339253007	/nfs/dbraw/zinc/25/30/07/339253007.db2.gz	KGJFOHZRKPFNNX-UHFFFAOYSA-N	0	3	313.445	2.554	20	30		DFEDHN
C=CCCCCCN(C)C(=O)NC[C@]1(N(C)C)CCSC1	ZINC000481787973	339614078	/nfs/dbraw/zinc/61/40/78/339614078.db2.gz	YOKBNUMZUCWICX-MRXNPFEDSA-N	0	3	313.511	2.812	20	30		DFEDHN
C=CCSCCNC(=O)N(CCC)CCN1CCCCC1	ZINC000487823469	339763853	/nfs/dbraw/zinc/76/38/53/339763853.db2.gz	ZAGBLNZCRJRVDY-UHFFFAOYSA-N	0	3	313.511	2.813	20	30		DFEDHN
N#CCc1ccc(CN2CCC(Oc3cnccn3)CC2)cc1	ZINC000488759158	339792664	/nfs/dbraw/zinc/79/26/64/339792664.db2.gz	KIBNNSZRDHWQCA-UHFFFAOYSA-N	0	3	308.385	2.586	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(C(F)(F)F)CCCCC2)CC1	ZINC000490649964	339836432	/nfs/dbraw/zinc/83/64/32/339836432.db2.gz	JJICVVBSXADJJT-UHFFFAOYSA-N	0	3	316.367	2.713	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccccc2SC)CC1	ZINC000491143881	339850732	/nfs/dbraw/zinc/85/07/32/339850732.db2.gz	GXOIYDFLGCRSFZ-CQSZACIVSA-N	0	3	316.470	2.931	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1	ZINC000491538594	339865977	/nfs/dbraw/zinc/86/59/77/339865977.db2.gz	ZXYNXWHFZBSLPH-UHFFFAOYSA-N	0	3	312.457	2.946	20	30		DFEDHN
C#CCN(CC#CC)C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000491736022	339877166	/nfs/dbraw/zinc/87/71/66/339877166.db2.gz	URSXKQHRTORLHJ-LJQANCHMSA-N	0	3	319.408	2.508	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000491752386	339878844	/nfs/dbraw/zinc/87/88/44/339878844.db2.gz	WIJYVKJYMDMKTO-NVXWUHKLSA-N	0	3	301.434	2.651	20	30		DFEDHN
C#C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(F)cc1	ZINC000491791864	339882021	/nfs/dbraw/zinc/88/20/21/339882021.db2.gz	CFLYTIFFGNDTJY-SFHVURJKSA-N	0	3	310.372	2.992	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1cccnc1)C(C)C	ZINC000491826826	339884607	/nfs/dbraw/zinc/88/46/07/339884607.db2.gz	BTVDFVCHXPPCDN-HJCTWCACSA-N	0	3	313.445	2.910	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2ccc(CC)cc2)CC1	ZINC000492057580	339890317	/nfs/dbraw/zinc/89/03/17/339890317.db2.gz	MBAOAWYLLDSVDF-ZHACJKMWSA-N	0	3	310.441	2.866	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C(F)(F)C2)CC1	ZINC000494807319	339960906	/nfs/dbraw/zinc/96/09/06/339960906.db2.gz	FEQRMDVIIHQQDZ-ZDUSSCGKSA-N	0	3	315.408	2.714	20	30		DFEDHN
C=C(Cl)CN[C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C	ZINC000495690261	339990295	/nfs/dbraw/zinc/99/02/95/339990295.db2.gz	XCGKBAPUVVWBRD-FRRDWIJNSA-N	0	3	318.845	2.647	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC[C@@H](C#N)CCC#N)C1	ZINC000496170450	339999742	/nfs/dbraw/zinc/99/97/42/339999742.db2.gz	KGDZBAYYZAJWJG-RBSFLKMASA-N	0	3	320.437	2.713	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C	ZINC000496220709	340000869	/nfs/dbraw/zinc/00/08/69/340000869.db2.gz	ZPDHOFYNEASJDE-DGAVXFQQSA-N	0	3	323.437	2.544	20	30		DFEDHN
CC(C)(CC#N)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1	ZINC000496281642	340002134	/nfs/dbraw/zinc/00/21/34/340002134.db2.gz	HBKUZOFPQSYVFT-MRXNPFEDSA-N	0	3	315.417	2.927	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(C#N)CC2)C1	ZINC000496485833	340006499	/nfs/dbraw/zinc/00/64/99/340006499.db2.gz	JNCNQRQZABNADJ-HNNXBMFYSA-N	0	3	307.438	2.869	20	30		DFEDHN
C[C@H](C#N)OCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000497108920	340020484	/nfs/dbraw/zinc/02/04/84/340020484.db2.gz	SQOXIZCRAVCDBX-ZIAGYGMSSA-N	0	3	317.389	2.565	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1	ZINC000497112051	340020643	/nfs/dbraw/zinc/02/06/43/340020643.db2.gz	YNHWXVHNJGFSSQ-KFWWJZLASA-N	0	3	307.438	2.867	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC#N)C1	ZINC000507332383	340217540	/nfs/dbraw/zinc/21/75/40/340217540.db2.gz	ILXQVLIXONGVCE-WBVHZDCISA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC(C(F)(F)F)CC2)CC1	ZINC000173196004	340359945	/nfs/dbraw/zinc/35/99/45/340359945.db2.gz	NQUATTUXGMTYGH-UHFFFAOYSA-N	0	3	319.371	2.621	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncncc1Cl)C(C)C	ZINC000176488846	340427746	/nfs/dbraw/zinc/42/77/46/340427746.db2.gz	UQQIGTVSOQJMLU-AWEZNQCLSA-N	0	3	322.840	2.558	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2(OCCC)CCCCC2)CC1	ZINC000177395998	340440093	/nfs/dbraw/zinc/44/00/93/340440093.db2.gz	LVOCFRNNFGJEHQ-UHFFFAOYSA-N	0	3	320.477	2.577	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000194636762	340594246	/nfs/dbraw/zinc/59/42/46/340594246.db2.gz	RGAKIUYZVFRZPR-OAHLLOKOSA-N	0	3	307.463	2.508	20	30		DFEDHN
CN(CCC(=O)N(CCC#N)CC(C)(C)C)c1ccncc1	ZINC000542785210	341020591	/nfs/dbraw/zinc/02/05/91/341020591.db2.gz	FJKUUFMDSPLLLU-UHFFFAOYSA-N	0	3	302.422	2.696	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1	ZINC000543891888	341062550	/nfs/dbraw/zinc/06/25/50/341062550.db2.gz	BFXOQFBXWDAPRB-UHFFFAOYSA-N	0	3	314.433	2.732	20	30		DFEDHN
C=C(C)COCCNCc1cnc2ccc(Br)cn12	ZINC000134503271	341216519	/nfs/dbraw/zinc/21/65/19/341216519.db2.gz	MGEFFLPFNLRXPD-UHFFFAOYSA-N	0	3	324.222	2.779	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCCCN1CCc2ccccc2C1	ZINC000079285921	341256302	/nfs/dbraw/zinc/25/63/02/341256302.db2.gz	LWPRIGJMFLRZNX-UHFFFAOYSA-N	0	3	313.445	2.818	20	30		DFEDHN
N#CC(C(=O)c1ccnc(OCC(F)F)c1)c1ccccn1	ZINC000136538418	341261413	/nfs/dbraw/zinc/26/14/13/341261413.db2.gz	XOXVYVYSMOATNI-LLVKDONJSA-N	0	3	303.268	2.611	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(F)c2OCC)CC1	ZINC000080080079	341269166	/nfs/dbraw/zinc/26/91/66/341269166.db2.gz	CTTNSNYPDZKYRG-UHFFFAOYSA-N	0	3	320.408	2.995	20	30		DFEDHN
CC(C)(CNC[C@@H](C#N)CCC#N)c1ccc2c(c1)OCCO2	ZINC000548788286	341275587	/nfs/dbraw/zinc/27/55/87/341275587.db2.gz	DBINPOSCHCDQFJ-CQSZACIVSA-N	0	3	313.401	2.769	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000245949720	341319480	/nfs/dbraw/zinc/31/94/80/341319480.db2.gz	OZBQOQSVMDVQAX-NVXWUHKLSA-N	0	3	314.433	2.672	20	30		DFEDHN
C=CCCS(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000551751416	341350648	/nfs/dbraw/zinc/35/06/48/341350648.db2.gz	CCCKVJCBMPTXHY-IAGOWNOFSA-N	0	3	322.474	2.565	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000248701114	341384810	/nfs/dbraw/zinc/38/48/10/341384810.db2.gz	AFRGGFIXPARPMF-NVXWUHKLSA-N	0	3	311.429	2.707	20	30		DFEDHN
CCS[C@@H]1CCCC[C@H]1NCC(=O)N(CC)C[C@H](C)C#N	ZINC000249521532	341398760	/nfs/dbraw/zinc/39/87/60/341398760.db2.gz	VSLSLWGPFKFVRH-RBSFLKMASA-N	0	3	311.495	2.648	20	30		DFEDHN
Cc1cccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1	ZINC000554391902	341453201	/nfs/dbraw/zinc/45/32/01/341453201.db2.gz	ISMMJTHHHLHQLS-GOSISDBHSA-N	0	3	310.397	2.591	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000156569214	341623110	/nfs/dbraw/zinc/62/31/10/341623110.db2.gz	VLIUXPCACGZQFD-KRWDZBQOSA-N	0	3	319.449	2.953	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCc2ccc(F)cc2)CC1	ZINC000568649293	341677529	/nfs/dbraw/zinc/67/75/29/341677529.db2.gz	DRHXYFSVOATLQF-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000332627552	533729909	/nfs/dbraw/zinc/72/99/09/533729909.db2.gz	DUGLQORCWMBFID-INIZCTEOSA-N	0	3	312.417	2.959	20	30		DFEDHN
Cc1cc(N2CCCN(Cc3ccccc3)CC2)cc(C#N)n1	ZINC000308275859	533893076	/nfs/dbraw/zinc/89/30/76/533893076.db2.gz	BYGRYJCHGAYNKE-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
Cc1ccnc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1C#N	ZINC000309928537	534394244	/nfs/dbraw/zinc/39/42/44/534394244.db2.gz	UZXWTZOKOXWJGK-QGZVFWFLSA-N	0	3	306.413	2.972	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN(Cc1cccnc1)C1CC1	ZINC000299534602	534817038	/nfs/dbraw/zinc/81/70/38/534817038.db2.gz	DZDWCDLVKCKBSY-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN[C@H](CCO)c1ccccc1	ZINC000299700176	534817689	/nfs/dbraw/zinc/81/76/89/534817689.db2.gz	OVZPTGJNRBPQCF-QGZVFWFLSA-N	0	3	323.396	2.600	20	30		DFEDHN
C[C@@H](SCCN(C)C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000157687851	525975013	/nfs/dbraw/zinc/97/50/13/525975013.db2.gz	GDZVIZOPJDNLSG-SNVBAGLBSA-N	0	3	323.487	2.730	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCN(C3CCCCC3)CC2)cc1	ZINC000163922234	526690201	/nfs/dbraw/zinc/69/02/01/526690201.db2.gz	BCXYFBPAZHMDQX-LJQANCHMSA-N	0	3	313.445	2.542	20	30		DFEDHN
CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C	ZINC000295845830	527765556	/nfs/dbraw/zinc/76/55/56/527765556.db2.gz	ATQIDLDUYWAXSU-LRDDRELGSA-N	0	3	305.397	2.851	20	30		DFEDHN
CC(C)N1CCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000311820747	529043213	/nfs/dbraw/zinc/04/32/13/529043213.db2.gz	ICQWPSDMOSDQMP-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000358562385	535125164	/nfs/dbraw/zinc/12/51/64/535125164.db2.gz	UQWNWXNOFPNKMR-GOEBONIOSA-N	0	3	319.424	2.705	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCc2cc(C#N)ccc2F)cc1	ZINC000174416370	535997294	/nfs/dbraw/zinc/99/72/94/535997294.db2.gz	XHGRGBPQQBUJTO-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
COCc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1	ZINC000680934693	545566806	/nfs/dbraw/zinc/56/68/06/545566806.db2.gz	SCXHGDIHHJSHNA-ZDUSSCGKSA-N	0	3	306.325	2.594	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC(C)(C)CC(F)(F)F)CC1	ZINC000681967498	545761925	/nfs/dbraw/zinc/76/19/25/545761925.db2.gz	HCLRMRLUYVGJRK-UHFFFAOYSA-N	0	3	307.360	2.667	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCC#Cc1ccccc1	ZINC000683023573	545960846	/nfs/dbraw/zinc/96/08/46/545960846.db2.gz	GJWSQWWUVSODLG-MJGOQNOKSA-N	0	3	310.441	2.665	20	30		DFEDHN
CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCC#Cc1ccccc1	ZINC000683023571	545960986	/nfs/dbraw/zinc/96/09/86/545960986.db2.gz	GJWSQWWUVSODLG-HKUYNNGSSA-N	0	3	310.441	2.665	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCN(c2cccc3cnccc32)C[C@@H]1C	ZINC000683679938	546076570	/nfs/dbraw/zinc/07/65/70/546076570.db2.gz	WARSLRANOQEBIJ-KXBFYZLASA-N	0	3	311.429	2.682	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000684139809	546157401	/nfs/dbraw/zinc/15/74/01/546157401.db2.gz	UHIJBUYTYHKGEW-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1c(C(C)C)nn(C)c1N(C)C	ZINC000684767819	546277124	/nfs/dbraw/zinc/27/71/24/546277124.db2.gz	TYBSWNRGWNNMKQ-WMLDXEAASA-N	0	3	320.481	2.680	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1	ZINC000824617051	607908323	/nfs/dbraw/zinc/90/83/23/607908323.db2.gz	CIDDNZFTXNRPSO-GFCCVEGCSA-N	0	3	304.357	2.589	20	30		DFEDHN
C#CC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823837971	608517046	/nfs/dbraw/zinc/51/70/46/608517046.db2.gz	JKQJFWFOHDVGAI-QGZVFWFLSA-N	0	3	321.359	2.860	20	30		DFEDHN
C#CC[C@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1	ZINC000823838680	608519797	/nfs/dbraw/zinc/51/97/97/608519797.db2.gz	SUGINQCVUGNDQK-KRWDZBQOSA-N	0	3	321.359	2.860	20	30		DFEDHN
CC(C)(C#N)CCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1	ZINC000824059001	608528781	/nfs/dbraw/zinc/52/87/81/608528781.db2.gz	KRURQLJGZMOFFN-UHFFFAOYSA-N	0	3	310.405	2.775	20	30		DFEDHN
CC(C)(C#N)CCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1	ZINC000824059001	608528782	/nfs/dbraw/zinc/52/87/82/608528782.db2.gz	KRURQLJGZMOFFN-UHFFFAOYSA-N	0	3	310.405	2.775	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](COC)[C@@H]2CCCO2)cc1OC	ZINC000278609625	214273142	/nfs/dbraw/zinc/27/31/42/214273142.db2.gz	ISZLWGIAHJUGTH-CVEARBPZSA-N	0	3	321.417	2.544	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](c1ccc(Cl)cc1)C1CC1	ZINC000272850202	210245754	/nfs/dbraw/zinc/24/57/54/210245754.db2.gz	KWEXCZPSQSECBW-HNNXBMFYSA-N	0	3	313.850	2.982	20	30		DFEDHN
N#Cc1cc2cccnc2nc1NC[C@@H]1CCCCN1C1CC1	ZINC000596211123	398358657	/nfs/dbraw/zinc/35/86/57/398358657.db2.gz	QZLXPIBDFFNPLD-INIZCTEOSA-N	0	3	307.401	2.930	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1Cl	ZINC000066158133	398360068	/nfs/dbraw/zinc/36/00/68/398360068.db2.gz	SICVEVVRCADINS-CQSZACIVSA-N	0	3	318.808	2.914	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081687380	398367300	/nfs/dbraw/zinc/36/73/00/398367300.db2.gz	WYRVNDWUOMFVCR-RBUKOAKNSA-N	0	3	323.440	2.818	20	30		DFEDHN
CN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC12CCCCC2	ZINC000596251111	398368224	/nfs/dbraw/zinc/36/82/24/398368224.db2.gz	NNTVTMPAOVHJGJ-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CN1CCN(c2c(C#N)nnc3ccccc32)CC12CCCCC2	ZINC000596251843	398368301	/nfs/dbraw/zinc/36/83/01/398368301.db2.gz	ZNZJQUHAUMQOBM-UHFFFAOYSA-N	0	3	321.428	2.956	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000066308773	398368377	/nfs/dbraw/zinc/36/83/77/398368377.db2.gz	LZGQUCSAIHTYHJ-WMZOPIPTSA-N	0	3	316.445	2.921	20	30		DFEDHN
CN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC12CCCCC2	ZINC000596251095	398368593	/nfs/dbraw/zinc/36/85/93/398368593.db2.gz	NAQMDCROXMJKSJ-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
C#Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccco2)c1	ZINC000088350586	185246605	/nfs/dbraw/zinc/24/66/05/185246605.db2.gz	WRMOTGMBIRRSRK-UHFFFAOYSA-N	0	3	311.385	2.857	20	30		DFEDHN
C[C@H](C#N)CN(C(=O)Nc1ccc2c(c1F)CCNC2)C1CC1	ZINC000578424134	398372917	/nfs/dbraw/zinc/37/29/17/398372917.db2.gz	YCXVNTOEQFLBFN-LLVKDONJSA-N	0	3	316.380	2.627	20	30		DFEDHN
CCc1nc(C#N)cc(N(CCN(C)C)Cc2ccsc2)n1	ZINC000596269981	398372916	/nfs/dbraw/zinc/37/29/16/398372916.db2.gz	JNMYZXHELKBQHU-UHFFFAOYSA-N	0	3	315.446	2.540	20	30		DFEDHN
Cc1ccc(C#N)nc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000596280693	398375402	/nfs/dbraw/zinc/37/54/02/398375402.db2.gz	JXNCTISQVPSUGJ-PKOBYXMFSA-N	0	3	318.424	2.972	20	30		DFEDHN
Cc1nc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2n1C	ZINC000578949082	398377105	/nfs/dbraw/zinc/37/71/05/398377105.db2.gz	QRZHIWZNCJQKFW-CQSZACIVSA-N	0	3	319.368	2.779	20	30		DFEDHN
CN(C)c1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1	ZINC000579392162	398380513	/nfs/dbraw/zinc/38/05/13/398380513.db2.gz	UHLZDDYNNZCPDV-HNNXBMFYSA-N	0	3	323.400	2.561	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)c1ccccc1	ZINC000010747519	398379157	/nfs/dbraw/zinc/37/91/57/398379157.db2.gz	FURNXURUVYNQLA-IBGZPJMESA-N	0	3	321.424	2.910	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(-c2ccccc2)ns1	ZINC000579589348	398381850	/nfs/dbraw/zinc/38/18/50/398381850.db2.gz	MRHXJJHBRUNCDM-LBPRGKRZSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(c3nccs3)CC2)c(F)c1	ZINC000090172341	185284818	/nfs/dbraw/zinc/28/48/18/185284818.db2.gz	IBAHFXTVBUDZDB-UHFFFAOYSA-N	0	3	316.405	2.912	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000581517246	398391423	/nfs/dbraw/zinc/39/14/23/398391423.db2.gz	ULCQKMXEZFEOCM-INIZCTEOSA-N	0	3	315.465	2.795	20	30		DFEDHN
N#Cc1cccc(OCCN[C@@H](CCO)c2ccccc2F)c1	ZINC000592162358	398394373	/nfs/dbraw/zinc/39/43/73/398394373.db2.gz	YBMFWHHEFDFPPE-SFHVURJKSA-N	0	3	314.360	2.789	20	30		DFEDHN
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CCC#N)CC1	ZINC000582000898	398394566	/nfs/dbraw/zinc/39/45/66/398394566.db2.gz	KOQOTYJPCUTOML-XHSDSOJGSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@H]3C[C@H]32)C1=O	ZINC000592183330	398398032	/nfs/dbraw/zinc/39/80/32/398398032.db2.gz	YQZTVMOEYIAURW-ASEORRQLSA-N	0	3	301.415	2.503	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC2(C[C@@H]1C)CCOCC2	ZINC000592184697	398399246	/nfs/dbraw/zinc/39/92/46/398399246.db2.gz	SQKWYRGXMQFBNC-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccccc2OC)C1	ZINC000066894412	398405152	/nfs/dbraw/zinc/40/51/52/398405152.db2.gz	YZLCIUDTMHTCAI-JKSUJKDBSA-N	0	3	316.445	2.640	20	30		DFEDHN
Cc1ccnc(NCC2CCN(Cc3ccncc3)CC2)c1C#N	ZINC000596439781	398412800	/nfs/dbraw/zinc/41/28/00/398412800.db2.gz	FQBXAKCMONKDHX-UHFFFAOYSA-N	0	3	321.428	2.981	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCc3ccc(C)cc32)CC1	ZINC000592526837	398443176	/nfs/dbraw/zinc/44/31/76/398443176.db2.gz	MGSHMPPAJZKXNX-SFHVURJKSA-N	0	3	313.445	2.932	20	30		DFEDHN
Cn1ccnc1[C@H](N[C@H]1CCC[C@H](C#N)C1)C1CCOCC1	ZINC000585792273	398447606	/nfs/dbraw/zinc/44/76/06/398447606.db2.gz	KMJOYRUPMAVTJV-CWRNSKLLSA-N	0	3	302.422	2.560	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1	ZINC000067707212	398452567	/nfs/dbraw/zinc/45/25/67/398452567.db2.gz	YFGSWIIIYZAOJK-GOSISDBHSA-N	0	3	316.420	2.984	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)C1	ZINC000297458318	530065514	/nfs/dbraw/zinc/06/55/14/530065514.db2.gz	RBMDMGJKPITNHG-KRWDZBQOSA-N	0	3	316.380	2.647	20	30		DFEDHN
C[C@H](CC#N)c1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000596582971	398453673	/nfs/dbraw/zinc/45/36/73/398453673.db2.gz	PVVOJGJJZPCMRM-GFCCVEGCSA-N	0	3	300.362	2.694	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C	ZINC000280521470	398460878	/nfs/dbraw/zinc/46/08/78/398460878.db2.gz	DVKHTUOPSAJXDZ-UKRRQHHQSA-N	0	3	300.402	2.729	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000596656832	398472691	/nfs/dbraw/zinc/47/26/91/398472691.db2.gz	GRFPCKBIWSEPQH-OAHLLOKOSA-N	0	3	300.406	2.747	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000587985110	398473384	/nfs/dbraw/zinc/47/33/84/398473384.db2.gz	RLJOFYTVZAYTJL-PWSUYJOCSA-N	0	3	303.797	2.754	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1	ZINC000083417655	192369905	/nfs/dbraw/zinc/36/99/05/192369905.db2.gz	PSDHXVDZYXMMEJ-UHFFFAOYSA-N	0	3	303.431	2.714	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000280179231	334960823	/nfs/dbraw/zinc/96/08/23/334960823.db2.gz	YCBFNEYUVKDWLB-NRSFXHEJSA-N	0	3	316.445	2.775	20	30		DFEDHN
C#CCSCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	ZINC000181100573	334961794	/nfs/dbraw/zinc/96/17/94/334961794.db2.gz	WZSNHPKISVXBLJ-CQSZACIVSA-N	0	3	322.449	2.679	20	30		DFEDHN
N#CCCCCCC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000588163266	398486697	/nfs/dbraw/zinc/48/66/97/398486697.db2.gz	KEXGPFYUXZPGGR-UHFFFAOYSA-N	0	3	314.433	2.888	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc(CO)cc1	ZINC000592825581	398490749	/nfs/dbraw/zinc/49/07/49/398490749.db2.gz	DGGBVBCVBKISPQ-GOSISDBHSA-N	0	3	308.381	2.568	20	30		DFEDHN
CCCN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCN(C)C1	ZINC000592831755	398493017	/nfs/dbraw/zinc/49/30/17/398493017.db2.gz	ONQDILCEUJFRJY-MRXNPFEDSA-N	0	3	324.428	2.721	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@H]2C#N)CC1	ZINC000596757061	398494275	/nfs/dbraw/zinc/49/42/75/398494275.db2.gz	HVXWZAVVVHJASV-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596764741	398497027	/nfs/dbraw/zinc/49/70/27/398497027.db2.gz	HBUSBUXGWXCWTQ-QBPKDAKJSA-N	0	3	318.465	2.727	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC[C@H](C)C1	ZINC000596801660	398504572	/nfs/dbraw/zinc/50/45/72/398504572.db2.gz	PWFSNOMEUCGZAQ-NWDGAFQWSA-N	0	3	321.371	2.687	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1cccc(C#N)c1	ZINC000181970089	199369105	/nfs/dbraw/zinc/36/91/05/199369105.db2.gz	FETSHRCAGZPEGQ-YOEHRIQHSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC2(F)F)cc1	ZINC000588784865	398508142	/nfs/dbraw/zinc/50/81/42/398508142.db2.gz	YMWZBHWUTYDEMI-UONOGXRCSA-N	0	3	303.312	2.545	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)cc1OC)[C@H]1CCN(CC)C1	ZINC000596839999	398511833	/nfs/dbraw/zinc/51/18/33/398511833.db2.gz	XCFNXEZVLVQWDN-AWEZNQCLSA-N	0	3	316.405	2.515	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1c1ncc(Br)cc1C#N	ZINC000311948852	398514866	/nfs/dbraw/zinc/51/48/66/398514866.db2.gz	JGVUWDVLHQGLPU-CYBMUJFWSA-N	0	3	323.238	2.636	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000596853790	398514190	/nfs/dbraw/zinc/51/41/90/398514190.db2.gz	LBCHCXORNPAQAV-HNNXBMFYSA-N	0	3	314.433	2.948	20	30		DFEDHN
C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC(C)CC1	ZINC000596969141	398536932	/nfs/dbraw/zinc/53/69/32/398536932.db2.gz	CKWFEFCQAPSTSL-LBPRGKRZSA-N	0	3	321.371	2.687	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H](O)C1CC1	ZINC000589197996	398537082	/nfs/dbraw/zinc/53/70/82/398537082.db2.gz	KASLCUUIQDFVCO-SFHVURJKSA-N	0	3	324.428	2.666	20	30		DFEDHN
CC(=O)NC[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000596982968	398540760	/nfs/dbraw/zinc/54/07/60/398540760.db2.gz	AJLALSZGJXYZQY-QGZVFWFLSA-N	0	3	311.429	2.590	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2[C@@H](C)C1	ZINC000593090953	398542934	/nfs/dbraw/zinc/54/29/34/398542934.db2.gz	KYXKJDLDWOPWGJ-LSDHHAIUSA-N	0	3	311.429	2.599	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c(C)c1	ZINC000320170823	398545833	/nfs/dbraw/zinc/54/58/33/398545833.db2.gz	MNDCTAKGKVXYEB-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(c3ccccn3)C1)CC2	ZINC000589343593	398547611	/nfs/dbraw/zinc/54/76/11/398547611.db2.gz	FYRXGCAVESUUMZ-FUHWJXTLSA-N	0	3	304.397	2.809	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@H](O)COc1ccccc1C#N	ZINC000321621996	398553750	/nfs/dbraw/zinc/55/37/50/398553750.db2.gz	ULMIBQBOFROFPZ-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(C#N)cc1	ZINC000324201871	398562079	/nfs/dbraw/zinc/56/20/79/398562079.db2.gz	MBNGMENIEAQUJP-KSSFIOAISA-N	0	3	321.380	2.520	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H]2CCC[C@@H]2C#N)cn1	ZINC000597084146	398564059	/nfs/dbraw/zinc/56/40/59/398564059.db2.gz	XOQLOMZUIXMVCO-YALNPMBYSA-N	0	3	302.422	2.653	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(O)(C(F)F)CC3)cc2)CC1	ZINC000597092320	398565532	/nfs/dbraw/zinc/56/55/32/398565532.db2.gz	KWRQGQWMRBSGPA-UHFFFAOYSA-N	0	3	306.356	2.834	20	30		DFEDHN
CCn1cc([C@@H]2OCCC[C@H]2CN[C@H]2CCC[C@@H]2C#N)cn1	ZINC000597084149	398563869	/nfs/dbraw/zinc/56/38/69/398563869.db2.gz	XOQLOMZUIXMVCO-YQFWSFKMSA-N	0	3	302.422	2.653	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(C#N)c1	ZINC000593184100	398566955	/nfs/dbraw/zinc/56/69/55/398566955.db2.gz	VKKKBSLZXQLGFE-CXAGYDPISA-N	0	3	307.397	2.985	20	30		DFEDHN
N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000589821376	398577200	/nfs/dbraw/zinc/57/72/00/398577200.db2.gz	RCBBWYARMGRAGW-CJNGLKHVSA-N	0	3	306.406	2.842	20	30		DFEDHN
CN1CCC(CC(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000589854396	398580603	/nfs/dbraw/zinc/58/06/03/398580603.db2.gz	DQSGSUAKFQUJTG-UHFFFAOYSA-N	0	3	305.809	2.560	20	30		DFEDHN
C=CCCOCC(=O)N[C@H](CN1CCCCC1)c1ccccc1	ZINC000589879520	398581812	/nfs/dbraw/zinc/58/18/12/398581812.db2.gz	GLSSLJAFHVKCAA-GOSISDBHSA-N	0	3	316.445	2.923	20	30		DFEDHN
COc1cc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)ccc1C#N	ZINC000589938886	398584336	/nfs/dbraw/zinc/58/43/36/398584336.db2.gz	BQHIWFBAAYQMGA-OCCSQVGLSA-N	0	3	314.307	2.502	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CN[C@H]2CCCC[C@@H]2C#N)cn1	ZINC000597196939	398587217	/nfs/dbraw/zinc/58/72/17/398587217.db2.gz	VHASUDZUJFEBEV-YQFWSFKMSA-N	0	3	302.422	2.560	20	30		DFEDHN
C[C@H]1C[C@H]1CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000597203371	398589889	/nfs/dbraw/zinc/58/98/89/398589889.db2.gz	ORRDSSGOMHMJOX-YOEHRIQHSA-N	0	3	321.428	2.726	20	30		DFEDHN
CN(C)CCN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CCCC1	ZINC000597220835	398594555	/nfs/dbraw/zinc/59/45/55/398594555.db2.gz	NLUCBRULECZWKU-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
N#Cc1ccc2nc(NC3CCN([C@H]4CCOC4)CC3)ccc2c1	ZINC000092923368	398607161	/nfs/dbraw/zinc/60/71/61/398607161.db2.gz	IVLSQSAZTSONHT-KRWDZBQOSA-N	0	3	322.412	2.772	20	30		DFEDHN
COCCN1[C@H](C)CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C	ZINC000092924476	398607719	/nfs/dbraw/zinc/60/77/19/398607719.db2.gz	VNXNJKIUNVOFSA-GASCZTMLSA-N	0	3	324.428	2.652	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C#N)CC1	ZINC000590293929	398610492	/nfs/dbraw/zinc/61/04/92/398610492.db2.gz	GAJMUYORNHSKMS-DOTOQJQBSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1(C#N)CC1	ZINC000590330488	398614485	/nfs/dbraw/zinc/61/44/85/398614485.db2.gz	MBNHADHVPFQABE-QGZVFWFLSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@]1(CNC(=O)CC2(C#N)CC2)CCCN1Cc1ccccc1	ZINC000590331872	398614604	/nfs/dbraw/zinc/61/46/04/398614604.db2.gz	SDSXXNKIOLVTJK-GOSISDBHSA-N	0	3	311.429	2.851	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597331713	398622732	/nfs/dbraw/zinc/62/27/32/398622732.db2.gz	ZXLPRWKONPXSEV-OLZOCXBDSA-N	0	3	319.355	2.535	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1	ZINC000043585756	398625313	/nfs/dbraw/zinc/62/53/13/398625313.db2.gz	VHVAKVKWAFQBPS-KGLIPLIRSA-N	0	3	317.433	2.861	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCC2(C#N)CCCC2)CC1	ZINC000593427595	398625369	/nfs/dbraw/zinc/62/53/69/398625369.db2.gz	POXCRTVDBSIFBJ-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCn1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)nn1	ZINC000351308192	398629240	/nfs/dbraw/zinc/62/92/40/398629240.db2.gz	VNFJAQMDIQPMCS-UHFFFAOYSA-N	0	3	324.388	2.633	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000593440679	398630380	/nfs/dbraw/zinc/63/03/80/398630380.db2.gz	LIDYMYDYHGLVDW-ZIAGYGMSSA-N	0	3	305.447	2.626	20	30		DFEDHN
CC[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000593440677	398630666	/nfs/dbraw/zinc/63/06/66/398630666.db2.gz	LIDYMYDYHGLVDW-KGLIPLIRSA-N	0	3	305.447	2.626	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(SC)cc1	ZINC000593449941	398633084	/nfs/dbraw/zinc/63/30/84/398633084.db2.gz	HTBMCCHVQVOSSQ-RISCZKNCSA-N	0	3	320.414	2.679	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1ccc(SC)cc1	ZINC000593449942	398633190	/nfs/dbraw/zinc/63/31/90/398633190.db2.gz	HTBMCCHVQVOSSQ-SMDDNHRTSA-N	0	3	320.414	2.679	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)CC2(C#N)CCCCC2)C1	ZINC000597409285	398636804	/nfs/dbraw/zinc/63/68/04/398636804.db2.gz	CQZVFUCJIUUKOT-HZPDHXFCSA-N	0	3	303.450	2.793	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597453592	398644458	/nfs/dbraw/zinc/64/44/58/398644458.db2.gz	KUHFYNVXENNIKI-NSHDSACASA-N	0	3	321.371	2.639	20	30		DFEDHN
C=CCc1cc(CN(CC(C)(C)O)C2CC2)cc(OC)c1O	ZINC000189943209	186252982	/nfs/dbraw/zinc/25/29/82/186252982.db2.gz	NOPSMRUDCXCYDG-UHFFFAOYSA-N	0	3	305.418	2.865	20	30		DFEDHN
CCC(C#N)C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC	ZINC000593497476	398646490	/nfs/dbraw/zinc/64/64/90/398646490.db2.gz	YPXOYDDGZWMUIE-SNPRPXQTSA-N	0	3	306.406	2.507	20	30		DFEDHN
CN1CCN(Cc2cnc3ccc(C#N)cn23)C2(CCCCC2)C1	ZINC000093871994	398648311	/nfs/dbraw/zinc/64/83/11/398648311.db2.gz	VLKTZMLRUYOEHV-UHFFFAOYSA-N	0	3	323.444	2.656	20	30		DFEDHN
CN(CCN1CCCCC1)c1nc2cc(Cl)ccn2c1C#N	ZINC000593516097	398649934	/nfs/dbraw/zinc/64/99/34/398649934.db2.gz	LYRQABJWYUVHKT-UHFFFAOYSA-N	0	3	317.824	2.781	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1	ZINC000093866058	398649179	/nfs/dbraw/zinc/64/91/79/398649179.db2.gz	UPTUMFZXCCHOBA-LJQANCHMSA-N	0	3	308.381	2.747	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1	ZINC000590671450	398649269	/nfs/dbraw/zinc/64/92/69/398649269.db2.gz	XPVKXHXJKFOXOF-KRWDZBQOSA-N	0	3	322.412	2.541	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1	ZINC000590705724	398655870	/nfs/dbraw/zinc/65/58/70/398655870.db2.gz	JZOJGXMBBHRWMA-FUHWJXTLSA-N	0	3	303.450	2.936	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(c2noc(C(F)F)n2)CC1	ZINC000373366372	398656435	/nfs/dbraw/zinc/65/64/35/398656435.db2.gz	RIZRMTKFAQWBHQ-NSHDSACASA-N	0	3	301.337	2.514	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cn[nH]c1	ZINC000299241540	186722983	/nfs/dbraw/zinc/72/29/83/186722983.db2.gz	JDYGPZJYPLFDAD-JTQLQIEISA-N	0	3	317.780	2.614	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1	ZINC000171891705	198002417	/nfs/dbraw/zinc/00/24/17/198002417.db2.gz	NKXQSHDNQNXCJN-HNNXBMFYSA-N	0	3	301.390	2.563	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1	ZINC000171976360	198019086	/nfs/dbraw/zinc/01/90/86/198019086.db2.gz	NZAXJWHFZFTNIO-HZPDHXFCSA-N	0	3	320.383	2.835	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000172057964	198032230	/nfs/dbraw/zinc/03/22/30/198032230.db2.gz	YSGRZEMZPXJNKX-INIZCTEOSA-N	0	3	315.461	2.957	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cn1	ZINC000277216792	213374236	/nfs/dbraw/zinc/37/42/36/213374236.db2.gz	RHMBWPJZXLECEW-IBGZPJMESA-N	0	3	322.412	2.656	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1F	ZINC000597568654	398662184	/nfs/dbraw/zinc/66/21/84/398662184.db2.gz	OXUUSLMHKOOHIY-ZDUSSCGKSA-N	0	3	319.355	2.583	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1	ZINC000597568901	398662229	/nfs/dbraw/zinc/66/22/29/398662229.db2.gz	RHLRDVDMXXMDOR-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1	ZINC000172515856	198108462	/nfs/dbraw/zinc/10/84/62/198108462.db2.gz	CIVZJLMPXVACNC-UHFFFAOYSA-N	0	3	304.409	2.870	20	30		DFEDHN
CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(Cl)cc1	ZINC000593668823	398668795	/nfs/dbraw/zinc/66/87/95/398668795.db2.gz	GWXZLGSCIXCLMQ-GXFFZTMASA-N	0	3	308.765	2.610	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3ccccn3)CC2)c1	ZINC000593688495	398671778	/nfs/dbraw/zinc/67/17/78/398671778.db2.gz	UOYODBQXWJHNTL-UHFFFAOYSA-N	0	3	306.413	2.707	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000390784149	398672206	/nfs/dbraw/zinc/67/22/06/398672206.db2.gz	MPWWUJBBMBHMLG-HNNXBMFYSA-N	0	3	301.434	2.953	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@H]2CCCCN2C1=O	ZINC000590780426	398672708	/nfs/dbraw/zinc/67/27/08/398672708.db2.gz	ZOGUFONSOXUDFE-SZMVWBNQSA-N	0	3	309.413	2.679	20	30		DFEDHN
C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NCc1cccc(C#N)c1	ZINC000331717061	234037123	/nfs/dbraw/zinc/03/71/23/234037123.db2.gz	OYPBFPPLZRALCZ-ZTFGCOKTSA-N	0	3	311.429	2.827	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@H]2CCCCN2C1=O	ZINC000590780425	398672921	/nfs/dbraw/zinc/67/29/21/398672921.db2.gz	ZOGUFONSOXUDFE-RYQLBKOJSA-N	0	3	309.413	2.679	20	30		DFEDHN
Cc1nocc1CNC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000593693199	398672393	/nfs/dbraw/zinc/67/23/93/398672393.db2.gz	SQYNJNLJQZMNIP-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000597646911	398673501	/nfs/dbraw/zinc/67/35/01/398673501.db2.gz	HKBLKCRAMVJDBO-QFBILLFUSA-N	0	3	311.429	2.661	20	30		DFEDHN
CN(C)C[C@H](CNC(=O)CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000593702911	398674070	/nfs/dbraw/zinc/67/40/70/398674070.db2.gz	SLAAMCCWFWNMKR-AWEZNQCLSA-N	0	3	319.836	2.795	20	30		DFEDHN
C=CCN1CCC(Nc2cc(N3CCCCC3)ncn2)CC1	ZINC000172757696	198146101	/nfs/dbraw/zinc/14/61/01/198146101.db2.gz	CLRUMHHSZSKHIJ-UHFFFAOYSA-N	0	3	301.438	2.529	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1	ZINC000172908481	198166794	/nfs/dbraw/zinc/16/67/94/198166794.db2.gz	UXBWSQVKDSRPIL-GJZGRUSLSA-N	0	3	320.383	2.835	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccn(C)n1	ZINC000593724295	398678126	/nfs/dbraw/zinc/67/81/26/398678126.db2.gz	DAKCOSVXAACIIT-HNNXBMFYSA-N	0	3	323.444	2.607	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1(C#N)CCC1	ZINC000398176240	398682341	/nfs/dbraw/zinc/68/23/41/398682341.db2.gz	QMQKBHLFACZVRC-DOTOQJQBSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000398180198	398682561	/nfs/dbraw/zinc/68/25/61/398682561.db2.gz	NWYLLUUHXORVAY-IRXDYDNUSA-N	0	3	301.434	2.809	20	30		DFEDHN
CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)ccc1Cl)C2	ZINC000597711935	398684562	/nfs/dbraw/zinc/68/45/62/398684562.db2.gz	YDWUJXBKCMRUDM-QGZVFWFLSA-N	0	3	317.820	2.770	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCCC[C@@H]1C	ZINC000045959737	398690135	/nfs/dbraw/zinc/69/01/35/398690135.db2.gz	GYFVUCJWRWTDCW-KBPBESRZSA-N	0	3	300.406	2.943	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21	ZINC000593866822	398698417	/nfs/dbraw/zinc/69/84/17/398698417.db2.gz	PRWRWBRQCGLRMX-KCPJHIHWSA-N	0	3	314.385	2.833	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000418239894	398700019	/nfs/dbraw/zinc/70/00/19/398700019.db2.gz	BJELUXQAZIJIQM-JLJPHGGASA-N	0	3	314.433	2.630	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)C1CN(C3CCCCC3)C1)C2	ZINC000593888022	398700146	/nfs/dbraw/zinc/70/01/46/398700146.db2.gz	DNNDQMIQEQCFCM-UHFFFAOYSA-N	0	3	309.413	2.665	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1F	ZINC000597829029	398702472	/nfs/dbraw/zinc/70/24/72/398702472.db2.gz	MFAUFGGHEQAELO-JKSUJKDBSA-N	0	3	319.355	2.583	20	30		DFEDHN
COc1ccccc1N1CCC(NCc2ccc(C#N)o2)CC1	ZINC000174324999	198320396	/nfs/dbraw/zinc/32/03/96/198320396.db2.gz	WZSRTYPWABZNEA-UHFFFAOYSA-N	0	3	311.385	2.918	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000597857346	398705225	/nfs/dbraw/zinc/70/52/25/398705225.db2.gz	FALXXGSILGKVFQ-CYBMUJFWSA-N	0	3	305.809	2.814	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@H](N)CCCC#N)CCc2ccc(Cl)cc21	ZINC000593914277	398703173	/nfs/dbraw/zinc/70/31/73/398703173.db2.gz	HWDMJCCSGPCBSX-BLLLJJGKSA-N	0	3	319.836	2.849	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000597859277	398706292	/nfs/dbraw/zinc/70/62/92/398706292.db2.gz	SPPOCYMFZSMTOC-INIZCTEOSA-N	0	3	311.429	2.844	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)C1CCN(C)CC1	ZINC000174744376	198379374	/nfs/dbraw/zinc/37/93/74/198379374.db2.gz	PNUNLMCBWDNPLO-UHFFFAOYSA-N	0	3	301.390	2.626	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)C(C)C	ZINC000174830058	198390488	/nfs/dbraw/zinc/39/04/88/198390488.db2.gz	AUVLCJYOJDOPEO-FUHWJXTLSA-N	0	3	315.461	3.000	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCCc2ccc(C#N)cc2)c1	ZINC000597894531	398715142	/nfs/dbraw/zinc/71/51/42/398715142.db2.gz	YQPUTMPAFOVONY-UHFFFAOYSA-N	0	3	307.397	2.592	20	30		DFEDHN
N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1	ZINC000597905188	398717482	/nfs/dbraw/zinc/71/74/82/398717482.db2.gz	NWGPKJVFBBXQJJ-RDJZCZTQSA-N	0	3	303.450	2.936	20	30		DFEDHN
C[C@]1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000597925659	398722885	/nfs/dbraw/zinc/72/28/85/398722885.db2.gz	PJNJXPZWCNNMLF-QFBILLFUSA-N	0	3	312.413	2.786	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)C[C@H](C)c2nccs2)CC1	ZINC000182727712	199481166	/nfs/dbraw/zinc/48/11/66/199481166.db2.gz	CYRNJEVWBICISI-ZDUSSCGKSA-N	0	3	322.478	2.538	20	30		DFEDHN
COCCN(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1	ZINC000277008269	213235379	/nfs/dbraw/zinc/23/53/79/213235379.db2.gz	HVODDSNQSGOOHM-HNNXBMFYSA-N	0	3	324.428	2.887	20	30		DFEDHN
C=CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)COC	ZINC000597954753	398727021	/nfs/dbraw/zinc/72/70/21/398727021.db2.gz	MZUNZWQAXDAAIY-DOTOQJQBSA-N	0	3	300.402	2.808	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1	ZINC000111693155	398728846	/nfs/dbraw/zinc/72/88/46/398728846.db2.gz	KFOZOFKBIYNCBT-CYBMUJFWSA-N	0	3	301.390	2.621	20	30		DFEDHN
C=CCCSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000597970498	398729279	/nfs/dbraw/zinc/72/92/79/398729279.db2.gz	QKXACVCEVYIWIJ-MRXNPFEDSA-N	0	3	313.426	2.666	20	30		DFEDHN
CC(C#N)C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000598016259	398737469	/nfs/dbraw/zinc/73/74/69/398737469.db2.gz	JSIBXTSCWUZUOK-LRDDRELGSA-N	0	3	306.793	2.708	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cscn1	ZINC000598015013	398737643	/nfs/dbraw/zinc/73/76/43/398737643.db2.gz	QAYDVEAJKGXVKH-SMDDNHRTSA-N	0	3	310.382	2.574	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000594071864	398737789	/nfs/dbraw/zinc/73/77/89/398737789.db2.gz	CFKVEZKZNHZKJD-JKSUJKDBSA-N	0	3	316.380	2.836	20	30		DFEDHN
CC1CC(C#N)(C(=O)Nc2ccc(OCCN(C)C)cc2F)C1	ZINC000591225714	398740625	/nfs/dbraw/zinc/74/06/25/398740625.db2.gz	GHIFIUMFSQYKEJ-UHFFFAOYSA-N	0	3	319.380	2.644	20	30		DFEDHN
CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(CC)C1	ZINC000598042792	398742355	/nfs/dbraw/zinc/74/23/55/398742355.db2.gz	YEXYGHKVKMMMRZ-QAPCUYQASA-N	0	3	313.445	2.680	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC12CCCC2	ZINC000594197483	398763283	/nfs/dbraw/zinc/76/32/83/398763283.db2.gz	OQHMOLIVJXMJKN-DAYGRLMNSA-N	0	3	301.434	2.594	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@](O)(C2CC2)C1	ZINC000598188390	398765967	/nfs/dbraw/zinc/76/59/67/398765967.db2.gz	SGCIRGYJVFQFBP-APWZRJJASA-N	0	3	312.413	2.522	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@](O)(C2CC2)C1	ZINC000598188400	398766149	/nfs/dbraw/zinc/76/61/49/398766149.db2.gz	SGCIRGYJVFQFBP-VQIMIIECSA-N	0	3	312.413	2.522	20	30		DFEDHN
N#Cc1ccc(OCCN2CCc3ccccc3[C@H]2CO)cc1	ZINC000133886547	283165457	/nfs/dbraw/zinc/16/54/57/283165457.db2.gz	RGTANPMGUOKKAF-LJQANCHMSA-N	0	3	308.381	2.529	20	30		DFEDHN
CC(C)(C)c1nc2cc(NC(=O)[C@]3(C#N)CCNC3)ccc2o1	ZINC000591596115	398774396	/nfs/dbraw/zinc/77/43/96/398774396.db2.gz	LEEGLTHTKJIQFL-KRWDZBQOSA-N	0	3	312.373	2.567	20	30		DFEDHN
N#C[C@@]1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CCNC1	ZINC000591595739	398774412	/nfs/dbraw/zinc/77/44/12/398774412.db2.gz	CIOMPBMYYSEBRE-IBGZPJMESA-N	0	3	321.380	2.598	20	30		DFEDHN
N#C[C@]1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CCNC1	ZINC000591595740	398774462	/nfs/dbraw/zinc/77/44/62/398774462.db2.gz	CIOMPBMYYSEBRE-LJQANCHMSA-N	0	3	321.380	2.598	20	30		DFEDHN
Cc1ccc(-c2csc(NC(=O)[C@@]3(C#N)CCNC3)n2)cc1	ZINC000591592205	398774690	/nfs/dbraw/zinc/77/46/90/398774690.db2.gz	RNPXANZKUZFJNJ-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
Cc1ccccc1-c1csc(NC(=O)[C@]2(C#N)CCNC2)n1	ZINC000591594257	398774776	/nfs/dbraw/zinc/77/47/76/398774776.db2.gz	VDRLLSQSBJTEAH-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594249778	398774920	/nfs/dbraw/zinc/77/49/20/398774920.db2.gz	OJUJOQFOADIEOU-YJBOKZPZSA-N	0	3	315.461	2.829	20	30		DFEDHN
CC(C)(CNC(=O)[C@]1(C#N)CCNC1)Cc1cccc(Cl)c1	ZINC000591622760	398776828	/nfs/dbraw/zinc/77/68/28/398776828.db2.gz	KOOQOVREKKOTQZ-KRWDZBQOSA-N	0	3	319.836	2.528	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCNC1	ZINC000591618626	398776842	/nfs/dbraw/zinc/77/68/42/398776842.db2.gz	IMNDDYMSBUTBMU-QGZVFWFLSA-N	0	3	317.364	2.589	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCNC1	ZINC000591616896	398777098	/nfs/dbraw/zinc/77/70/98/398777098.db2.gz	WSIRMTKWRRRCNT-GOSISDBHSA-N	0	3	313.401	2.588	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CN(C)C	ZINC000594280517	398778327	/nfs/dbraw/zinc/77/83/27/398778327.db2.gz	MJIJKHVFQLPZKJ-MAUKXSAKSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCN1C[C@@H](CN(C)CCCSCC#N)Oc2ccccc21	ZINC000074981059	398778909	/nfs/dbraw/zinc/77/89/09/398778909.db2.gz	KXTGHRUGLJQQKO-OAHLLOKOSA-N	0	3	319.474	2.853	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2N[C@H]2CCCc3cc(C#N)ccc32)cn1	ZINC000591660653	398779634	/nfs/dbraw/zinc/77/96/34/398779634.db2.gz	SGZHKTJPGCWGEK-OTWHNJEPSA-N	0	3	322.412	2.789	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594299700	398781259	/nfs/dbraw/zinc/78/12/59/398781259.db2.gz	NRNLQPYQEKMGLN-MAUKXSAKSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#CCc1ccnc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1	ZINC000594319413	398782353	/nfs/dbraw/zinc/78/23/53/398782353.db2.gz	DECGYCBHNXWIQY-QGZVFWFLSA-N	0	3	320.396	2.608	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CNCc2ccc(C3CC3)cc2)cc1	ZINC000591764127	398785688	/nfs/dbraw/zinc/78/56/88/398785688.db2.gz	QSUDVYOLSYXKAU-LJQANCHMSA-N	0	3	322.408	2.965	20	30		DFEDHN
C=CCCOCCNCc1ccnn1-c1ccccc1OC	ZINC000281406321	334982741	/nfs/dbraw/zinc/98/27/41/334982741.db2.gz	HZVJCOVRIKIQJE-UHFFFAOYSA-N	0	3	301.390	2.563	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC000594400322	398792503	/nfs/dbraw/zinc/79/25/03/398792503.db2.gz	PSDAJNMVCREORZ-MROQNXINSA-N	0	3	308.422	2.655	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C(=O)[C@H](N)CCCCC#N	ZINC000594425941	398797669	/nfs/dbraw/zinc/79/76/69/398797669.db2.gz	BNTXSJXBOITHAV-CQSZACIVSA-N	0	3	323.824	2.588	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594425512	398798047	/nfs/dbraw/zinc/79/80/47/398798047.db2.gz	KENCZDSNPMDQTK-IAGOWNOFSA-N	0	3	315.417	2.770	20	30		DFEDHN
C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1Cl	ZINC000594426918	398798116	/nfs/dbraw/zinc/79/81/16/398798116.db2.gz	HRGQXJIPADMDJD-GXTWGEPZSA-N	0	3	323.824	2.635	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(OC)cc1	ZINC000594424925	398798130	/nfs/dbraw/zinc/79/81/30/398798130.db2.gz	DQRGYPFXQBAILD-JKSUJKDBSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1	ZINC000594427010	398798666	/nfs/dbraw/zinc/79/86/66/398798666.db2.gz	FWOKZWOJDUBGBX-CVEARBPZSA-N	0	3	303.381	2.900	20	30		DFEDHN
Cc1ccccc1OCCCN(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594427191	398798792	/nfs/dbraw/zinc/79/87/92/398798792.db2.gz	HUFIQTFMNLFICL-INIZCTEOSA-N	0	3	317.433	2.634	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)C)cc1	ZINC000594428468	398798905	/nfs/dbraw/zinc/79/89/05/398798905.db2.gz	YSIMAMSRGZMFRM-IAGOWNOFSA-N	0	3	317.433	2.920	20	30		DFEDHN
COc1ccc2nc(NC(=O)[C@@H](N)CCCCC#N)sc2c1	ZINC000594428072	398798988	/nfs/dbraw/zinc/79/89/88/398798988.db2.gz	ZAWHYTXQACLZAS-NSHDSACASA-N	0	3	318.402	2.655	20	30		DFEDHN
CC(C)OCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594430867	398799300	/nfs/dbraw/zinc/79/93/00/398799300.db2.gz	CCWFQDXMNAEKOR-INIZCTEOSA-N	0	3	303.406	2.961	20	30		DFEDHN
CC(C)OCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594429273	398798724	/nfs/dbraw/zinc/79/87/24/398798724.db2.gz	RVCABLWTWJGBRP-INIZCTEOSA-N	0	3	303.406	2.961	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594432928	398800348	/nfs/dbraw/zinc/80/03/48/398800348.db2.gz	HIDSHFPZVWCELL-IAGOWNOFSA-N	0	3	301.434	2.877	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	ZINC000594435779	398801493	/nfs/dbraw/zinc/80/14/93/398801493.db2.gz	DELOJKXKCCLMJA-UAGQMJEPSA-N	0	3	317.408	2.989	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1	ZINC000594435614	398801609	/nfs/dbraw/zinc/80/16/09/398801609.db2.gz	DEJOHXSWZNWTDT-OAHLLOKOSA-N	0	3	319.836	2.899	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccc(-c2cccnc2)cc1	ZINC000594437234	398802219	/nfs/dbraw/zinc/80/22/19/398802219.db2.gz	AAGWCTVZQAWVJR-SFHVURJKSA-N	0	3	322.412	2.776	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1cccnc1	ZINC000594438608	398802453	/nfs/dbraw/zinc/80/24/53/398802453.db2.gz	OSOYXSWGSCJKLI-ZWKOTPCHSA-N	0	3	322.412	2.698	20	30		DFEDHN
CCC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000594437506	398802544	/nfs/dbraw/zinc/80/25/44/398802544.db2.gz	LVFUKZIAUMTVDJ-SJORKVTESA-N	0	3	301.434	2.925	20	30		DFEDHN
Cc1ccc2c(CCNC(=O)[C@@H](N)CCCCC#N)c[nH]c2c1	ZINC000594439922	398802847	/nfs/dbraw/zinc/80/28/47/398802847.db2.gz	SYNOGBBPHATKIC-INIZCTEOSA-N	0	3	312.417	2.546	20	30		DFEDHN
CN(C)Cc1ccccc1NC(=O)CNc1ccc(C#N)cc1	ZINC000050029994	398803288	/nfs/dbraw/zinc/80/32/88/398803288.db2.gz	WMSMWMFRTNKZFP-UHFFFAOYSA-N	0	3	308.385	2.670	20	30		DFEDHN
CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)s1	ZINC000594440042	398803397	/nfs/dbraw/zinc/80/33/97/398803397.db2.gz	YPXNVEUFBLYPLY-OLZOCXBDSA-N	0	3	322.478	2.945	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2c(F)cccc21	ZINC000594441969	398802866	/nfs/dbraw/zinc/80/28/66/398802866.db2.gz	AIIKDWHXCCGSOI-HUUCEWRRSA-N	0	3	319.380	2.567	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1	ZINC000594443406	398803909	/nfs/dbraw/zinc/80/39/09/398803909.db2.gz	GYHKUPXFCSFWPU-QGZVFWFLSA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC(c2ccccc2F)CC1	ZINC000594444425	398804043	/nfs/dbraw/zinc/80/40/43/398804043.db2.gz	LXFHTXYFGHOKNS-KRWDZBQOSA-N	0	3	317.408	2.943	20	30		DFEDHN
Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1	ZINC000594442923	398804142	/nfs/dbraw/zinc/80/41/42/398804142.db2.gz	CXWFOCPFJMDNOZ-NVXWUHKLSA-N	0	3	301.434	2.796	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(CC)CC	ZINC000594446506	398804705	/nfs/dbraw/zinc/80/47/05/398804705.db2.gz	UQODIFFZSSDEEE-BZUAXINKSA-N	0	3	323.481	2.840	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(CC)CC	ZINC000594446507	398804711	/nfs/dbraw/zinc/80/47/11/398804711.db2.gz	UQODIFFZSSDEEE-HRCADAONSA-N	0	3	323.481	2.840	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000050136814	398804877	/nfs/dbraw/zinc/80/48/77/398804877.db2.gz	YYNYDCSXXWSYBW-HNNXBMFYSA-N	0	3	319.474	2.625	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2F)CCC1	ZINC000594449293	398805226	/nfs/dbraw/zinc/80/52/26/398805226.db2.gz	FRDJGRFQYHHFRK-HNNXBMFYSA-N	0	3	303.381	2.732	20	30		DFEDHN
Cc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F)o1	ZINC000594452960	398805842	/nfs/dbraw/zinc/80/58/42/398805842.db2.gz	YHDOXKAJKDWEHB-PWSUYJOCSA-N	0	3	317.311	2.719	20	30		DFEDHN
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H](N)CCCCC#N)C1	ZINC000594447920	398805515	/nfs/dbraw/zinc/80/55/15/398805515.db2.gz	XOXVBVBJUNRPMA-IEBWSBKVSA-N	0	3	313.445	2.978	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccccc1OCC(F)F	ZINC000594445154	398804784	/nfs/dbraw/zinc/80/47/84/398804784.db2.gz	AVLNVEQDNRLAGH-NSHDSACASA-N	0	3	311.332	2.680	20	30		DFEDHN
CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)CC[C@H]1C(F)(F)F	ZINC000594456513	398806633	/nfs/dbraw/zinc/80/66/33/398806633.db2.gz	PLLISNYKOPWXMP-NWDGAFQWSA-N	0	3	319.371	2.835	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)CCc2ccc(F)cc21	ZINC000594453166	398806024	/nfs/dbraw/zinc/80/60/24/398806024.db2.gz	LAHTUWZUHXBJPQ-DYVFJYSZSA-N	0	3	317.408	2.725	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2F)co1	ZINC000594466665	398807019	/nfs/dbraw/zinc/80/70/19/398807019.db2.gz	CIBYQOOHFKZZDV-ZDUSSCGKSA-N	0	3	316.336	2.830	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc(-c2cccs2)ns1	ZINC000594468760	398807090	/nfs/dbraw/zinc/80/70/90/398807090.db2.gz	RIVAVUGUHKJKOF-VIFPVBQESA-N	0	3	321.431	2.616	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](C)c2c(C)noc2C)CC1	ZINC000179248243	199004735	/nfs/dbraw/zinc/00/47/35/199004735.db2.gz	HPJXRJVUOWLLAW-LBPRGKRZSA-N	0	3	305.422	2.552	20	30		DFEDHN
CS[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000179270514	199007836	/nfs/dbraw/zinc/00/78/36/199007836.db2.gz	JCSSEUJAYCZXCS-CQSZACIVSA-N	0	3	319.474	2.590	20	30		DFEDHN
CC(C)(C)N1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594515393	398814112	/nfs/dbraw/zinc/81/41/12/398814112.db2.gz	UTLJHQARVKAJGG-INIZCTEOSA-N	0	3	313.445	2.977	20	30		DFEDHN
C[S@](=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CCC1	ZINC000594518299	398815445	/nfs/dbraw/zinc/81/54/45/398815445.db2.gz	GFGMZUIZSOKKAY-NRFANRHFSA-N	0	3	304.459	2.879	20	30		DFEDHN
CCC[C@@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000594570236	398822952	/nfs/dbraw/zinc/82/29/52/398822952.db2.gz	IOMFJWGZOGTLSM-QGZVFWFLSA-N	0	3	321.428	2.839	20	30		DFEDHN
CN(CC1=CCSC1)C(=O)C(C#N)CCc1ccccc1	ZINC000598515951	398827169	/nfs/dbraw/zinc/82/71/69/398827169.db2.gz	OEPYMGORUSPLFU-INIZCTEOSA-N	0	3	300.427	2.891	20	30		DFEDHN
C[C@H](O)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000598540984	398829502	/nfs/dbraw/zinc/82/95/02/398829502.db2.gz	VDRJCSUNIQWRIN-SNRMKQJTSA-N	0	3	322.408	2.997	20	30		DFEDHN
C[C@]1(C(F)F)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000598571375	398833501	/nfs/dbraw/zinc/83/35/01/398833501.db2.gz	GUTLTAQFODQQII-RHSMWYFYSA-N	0	3	322.355	2.642	20	30		DFEDHN
CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1OCCc2ccccc21	ZINC000598589300	398837131	/nfs/dbraw/zinc/83/71/31/398837131.db2.gz	HVPMWVCKXWIQDQ-RDJZCZTQSA-N	0	3	302.418	2.533	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](Oc2ccccc2)C1	ZINC000598591891	398837545	/nfs/dbraw/zinc/83/75/45/398837545.db2.gz	FAGVKNHELPPJAM-WBVHZDCISA-N	0	3	302.418	2.831	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC2(CC1)OCc1ccccc12	ZINC000598592431	398837742	/nfs/dbraw/zinc/83/77/42/398837742.db2.gz	INBAKVFYHWXIKC-INIZCTEOSA-N	0	3	314.429	2.809	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C[C@H](O)CC(C)(C)C#N)C1	ZINC000598623558	398842902	/nfs/dbraw/zinc/84/29/02/398842902.db2.gz	XYUXEEFEJGEAOI-QLFBSQMISA-N	0	3	324.465	2.587	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000598620169	398842915	/nfs/dbraw/zinc/84/29/15/398842915.db2.gz	ZUSVMOYXGTYETF-LBPRGKRZSA-N	0	3	305.378	2.720	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccc1)C1(CO)CCC1	ZINC000598617603	398842261	/nfs/dbraw/zinc/84/22/61/398842261.db2.gz	KMEPXGDEABRTII-IAGOWNOFSA-N	0	3	316.445	2.781	20	30		DFEDHN
C=CCSCCNCc1cc(C(=O)OC)c2n1CCCC2	ZINC000598632595	398844134	/nfs/dbraw/zinc/84/41/34/398844134.db2.gz	ABZJHNWHGRMIFF-UHFFFAOYSA-N	0	3	308.447	2.620	20	30		DFEDHN
CC(C)(C)OC(=O)C1(C)CCN(C[C@H](O)CC(C)(C)C#N)CC1	ZINC000598626558	398843531	/nfs/dbraw/zinc/84/35/31/398843531.db2.gz	XYXSXLWTULIRFP-CQSZACIVSA-N	0	3	324.465	2.731	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cc(Br)cs1	ZINC000598700980	398857570	/nfs/dbraw/zinc/85/75/70/398857570.db2.gz	SICPTCBOMWRLFH-SNVBAGLBSA-N	0	3	317.252	2.901	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@H](C)NC[C@@H](O)CC(C)(C)C#N	ZINC000598723509	398862155	/nfs/dbraw/zinc/86/21/55/398862155.db2.gz	IVVOWLRERKNNST-XEZPLFJOSA-N	0	3	308.397	2.792	20	30		DFEDHN
CCCCCn1cc(CNC[C@@H](O)CC(C)(C)C#N)c(C)n1	ZINC000598725781	398862723	/nfs/dbraw/zinc/86/27/23/398862723.db2.gz	PGZGYTIORUEMDF-INIZCTEOSA-N	0	3	306.454	2.772	20	30		DFEDHN
COc1cc2c(cc1F)CC[C@@H]2NC[C@@H](O)CC(C)(C)C#N	ZINC000598728409	398863496	/nfs/dbraw/zinc/86/34/96/398863496.db2.gz	RUVDUEYHMHRCIF-WFASDCNBSA-N	0	3	306.381	2.712	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1c(F)cccc1N1CCCC1	ZINC000598728565	398863505	/nfs/dbraw/zinc/86/35/05/398863505.db2.gz	VDVTWDKRBRRBRL-CQSZACIVSA-N	0	3	319.424	2.816	20	30		DFEDHN
CC(C)[C@H](O)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1	ZINC000598730302	398863768	/nfs/dbraw/zinc/86/37/68/398863768.db2.gz	SOCGQIQTQQKYAK-BBWFWOEESA-N	0	3	304.434	2.635	20	30		DFEDHN
CCN(CC)[C@H](CNC[C@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598719814	398861023	/nfs/dbraw/zinc/86/10/23/398861023.db2.gz	JEOUVUZEDRPSKY-HUUCEWRRSA-N	0	3	307.438	2.553	20	30		DFEDHN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCC[C@H]1C	ZINC000076744794	398868254	/nfs/dbraw/zinc/86/82/54/398868254.db2.gz	IGPWKDDRLZYGPY-NEPJUHHUSA-N	0	3	303.366	2.536	20	30		DFEDHN
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)N1CCCC[C@@H]1C	ZINC000076744798	398868435	/nfs/dbraw/zinc/86/84/35/398868435.db2.gz	IGPWKDDRLZYGPY-RYUDHWBXSA-N	0	3	303.366	2.536	20	30		DFEDHN
C[S@@](=O)C1(CNCc2ccc(C3(C#N)CC3)cc2)CCC1	ZINC000594936897	398876495	/nfs/dbraw/zinc/87/64/95/398876495.db2.gz	MNZZTQFZZJECSD-OAQYLSRUSA-N	0	3	302.443	2.633	20	30		DFEDHN
CO[C@H](CNCc1cccc(OCCCC#N)c1)[C@H]1CCOC1	ZINC000594954474	398880696	/nfs/dbraw/zinc/88/06/96/398880696.db2.gz	ZYSYQNBZRQXUKJ-FUHWJXTLSA-N	0	3	318.417	2.510	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c1	ZINC000594967754	398883181	/nfs/dbraw/zinc/88/31/81/398883181.db2.gz	VFCDZFMXPGATOL-IEBWSBKVSA-N	0	3	322.412	2.785	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)c(F)c1	ZINC000180967535	199234382	/nfs/dbraw/zinc/23/43/82/199234382.db2.gz	GTBZTDLVIUJKQK-INIZCTEOSA-N	0	3	303.381	2.611	20	30		DFEDHN
COC[C@@H](CC1CCOCC1)NC1(c2cccc(C#N)c2)CC1	ZINC000595029172	398894741	/nfs/dbraw/zinc/89/47/41/398894741.db2.gz	IOFLZUVKIUTTFH-GOSISDBHSA-N	0	3	314.429	2.969	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000595066392	398901351	/nfs/dbraw/zinc/90/13/51/398901351.db2.gz	WTIFUTJQPFHQGS-CTNYNGJSSA-N	0	3	320.408	2.914	20	30		DFEDHN
CC(C)(CCC#N)CNCc1cn(-c2ccc(F)cc2)nn1	ZINC000598973751	398900383	/nfs/dbraw/zinc/90/03/83/398900383.db2.gz	JUZCNOQEUDJZCU-UHFFFAOYSA-N	0	3	301.369	2.826	20	30		DFEDHN
N#Cc1ccc(OCCN2CCSC3(CCOCC3)C2)cc1	ZINC000186836205	200019283	/nfs/dbraw/zinc/01/92/83/200019283.db2.gz	ULZBXVHYCZMJNU-UHFFFAOYSA-N	0	3	318.442	2.535	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(C)CC1	ZINC000054538062	398902216	/nfs/dbraw/zinc/90/22/16/398902216.db2.gz	BMODEOLVJNMABZ-UHFFFAOYSA-N	0	3	316.405	2.561	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C#N)c(F)c1	ZINC000595102134	398905243	/nfs/dbraw/zinc/90/52/43/398905243.db2.gz	KBRYQXVYZAJVFU-UGSOOPFHSA-N	0	3	320.408	2.916	20	30		DFEDHN
CC[C@@H](NCC1(S(=O)(=O)CC)CC1)c1ccc(C#N)cc1	ZINC000595103521	398906134	/nfs/dbraw/zinc/90/61/34/398906134.db2.gz	OCTZHOOMEWKJNC-OAHLLOKOSA-N	0	3	306.431	2.566	20	30		DFEDHN
N#CC(C(=O)c1ccc(F)c(F)c1)c1nnc2n1CCCCC2	ZINC000054726673	398907921	/nfs/dbraw/zinc/90/79/21/398907921.db2.gz	KVYZTGFOAVJROM-NSHDSACASA-N	0	3	316.311	2.773	20	30		DFEDHN
Cc1nc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000187198223	200076348	/nfs/dbraw/zinc/07/63/48/200076348.db2.gz	AGDLVXMGWGNJPC-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(c3cccc(OC)c3)CC2)C1=O	ZINC000282039410	334988776	/nfs/dbraw/zinc/98/87/76/334988776.db2.gz	QTWLADZASUIFDB-GOSISDBHSA-N	0	3	314.429	2.662	20	30		DFEDHN
C[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000147742671	398913455	/nfs/dbraw/zinc/91/34/55/398913455.db2.gz	ICEFEFVQNHBRSR-ZFWWWQNUSA-N	0	3	306.431	2.500	20	30		DFEDHN
CC1(C)CN(C(=O)[C@H](N)CCCCC#N)CCc2ccccc21	ZINC000595257737	398913638	/nfs/dbraw/zinc/91/36/38/398913638.db2.gz	VTFOHHYIEXEUIE-QGZVFWFLSA-N	0	3	313.445	2.760	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cnc2c(F)cccc2c1	ZINC000595254935	398913653	/nfs/dbraw/zinc/91/36/53/398913653.db2.gz	DZCFEMOXSBSBSZ-CQSZACIVSA-N	0	3	300.337	2.724	20	30		DFEDHN
N#CC1(CC(=O)Nc2ccc3c(c2)CNCCO3)CCCCC1	ZINC000595252718	398912556	/nfs/dbraw/zinc/91/25/56/398912556.db2.gz	FSTBVSXEOUEXDX-UHFFFAOYSA-N	0	3	313.401	2.971	20	30		DFEDHN
N#Cc1ccc(CCN2CCN(c3ccc(O)cc3)CC2)cc1	ZINC000595289927	398916962	/nfs/dbraw/zinc/91/69/62/398916962.db2.gz	RLRWHURWKGWJFB-UHFFFAOYSA-N	0	3	307.397	2.629	20	30		DFEDHN
CO[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CCOC1	ZINC000595296475	398917734	/nfs/dbraw/zinc/91/77/34/398917734.db2.gz	DRTQTTRMSQHMGL-SJLPKXTDSA-N	0	3	300.402	2.574	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCSCC1	ZINC000595297177	398919141	/nfs/dbraw/zinc/91/91/41/398919141.db2.gz	QAFRVHQDPAKZGS-UHFFFAOYSA-N	0	3	322.430	2.841	20	30		DFEDHN
C[C@@H]1CN(CCN(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1	ZINC000595296848	398918609	/nfs/dbraw/zinc/91/86/09/398918609.db2.gz	MIGDCNZOGLEDKC-IYBDPMFKSA-N	0	3	313.445	2.632	20	30		DFEDHN
CCN(CC)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595297173	398918795	/nfs/dbraw/zinc/91/87/95/398918795.db2.gz	PXTQJWOMEFDCPW-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
CCOCCN1CCN(CCc2ccc(C#N)cc2)C[C@@H]1CC	ZINC000595313798	398921093	/nfs/dbraw/zinc/92/10/93/398921093.db2.gz	YVCATUDJUBFMDW-IBGZPJMESA-N	0	3	315.461	2.533	20	30		DFEDHN
CC(C)(C)C(=O)N[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000595318764	398921833	/nfs/dbraw/zinc/92/18/33/398921833.db2.gz	WJQHYARMHJURNF-KRWDZBQOSA-N	0	3	313.445	2.727	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCc1ccc(C#N)cc1	ZINC000595339638	398924312	/nfs/dbraw/zinc/92/43/12/398924312.db2.gz	ZOPNBCDRDOCESW-OALUTQOASA-N	0	3	313.445	2.822	20	30		DFEDHN
N#Cc1c(CN2CCN(c3ccncc3)CC2)cn2ccccc12	ZINC000151197313	398924971	/nfs/dbraw/zinc/92/49/71/398924971.db2.gz	HLTCSDMHLRFBSP-UHFFFAOYSA-N	0	3	317.396	2.528	20	30		DFEDHN
CN(C)C(=O)C[C@@H](NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000595416071	398934402	/nfs/dbraw/zinc/93/44/02/398934402.db2.gz	UJNDRPNKKLTWRD-LJQANCHMSA-N	0	3	321.424	2.910	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(c2cccc(F)c2C#N)CC1	ZINC000599188743	398937307	/nfs/dbraw/zinc/93/73/07/398937307.db2.gz	WUPDYTYHPWOVJQ-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCN1C1CCCC1)C2	ZINC000599203690	398939582	/nfs/dbraw/zinc/93/95/82/398939582.db2.gz	NYTVBIKEZPPGSR-KRWDZBQOSA-N	0	3	324.428	2.600	20	30		DFEDHN
CC(=O)N(C[C@H]1CCCN1CCc1ccc(C#N)cc1)C1CC1	ZINC000595443381	398940037	/nfs/dbraw/zinc/94/00/37/398940037.db2.gz	GJPHZDGOWCPSJP-LJQANCHMSA-N	0	3	311.429	2.576	20	30		DFEDHN
Cc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1C#N	ZINC000599250447	398942953	/nfs/dbraw/zinc/94/29/53/398942953.db2.gz	NGIALVPIKRMVQN-UHFFFAOYSA-N	0	3	311.429	2.701	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@H]2c2cccs2)CCOCC1	ZINC000599253251	398943186	/nfs/dbraw/zinc/94/31/86/398943186.db2.gz	GELJKVVAZCMXGH-GJZGRUSLSA-N	0	3	320.458	2.956	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(SCC#N)c2)C1	ZINC000155296095	398945712	/nfs/dbraw/zinc/94/57/12/398945712.db2.gz	ZNXNFFHKBYKNKT-CJNGLKHVSA-N	0	3	317.458	2.761	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@@H](OCc3ccncc3)C2)cc1	ZINC000595466426	398944413	/nfs/dbraw/zinc/94/44/13/398944413.db2.gz	LAYCFFOOCGVMDH-LJQANCHMSA-N	0	3	307.397	2.787	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC1(C#N)CC1	ZINC000599268767	398945630	/nfs/dbraw/zinc/94/56/30/398945630.db2.gz	KYQJOBXNBXJETL-MRXNPFEDSA-N	0	3	300.402	2.738	20	30		DFEDHN
CCN(CC)C(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1	ZINC000599275085	398946212	/nfs/dbraw/zinc/94/62/12/398946212.db2.gz	KTTKBLWHVCJLLH-UHFFFAOYSA-N	0	3	313.445	2.947	20	30		DFEDHN
CO[C@H]1C[C@@H](CN(C)[C@@H](C#N)c2ccc(Cl)cc2)N(C)C1	ZINC000595478522	398947199	/nfs/dbraw/zinc/94/71/99/398947199.db2.gz	FRLUXVHMWWSXBS-JYJNAYRXSA-N	0	3	307.825	2.556	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)CN(CCC#N)CC(C)(C)C	ZINC000157244625	398953251	/nfs/dbraw/zinc/95/32/51/398953251.db2.gz	FCNJIESTEQMOAI-GOSISDBHSA-N	0	3	317.477	2.741	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1c1ccccc1	ZINC000599319198	398953637	/nfs/dbraw/zinc/95/36/37/398953637.db2.gz	XKYDJKIPPRQECW-NJAFHUGGSA-N	0	3	314.429	2.751	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N	ZINC000191562526	200722270	/nfs/dbraw/zinc/72/22/70/200722270.db2.gz	OFNHDQJQPARWNO-HNNXBMFYSA-N	0	3	314.820	2.919	20	30		DFEDHN
CN(CCNC(=O)/C=C/c1cccc(C#N)c1)Cc1ccccc1	ZINC000056192077	398956482	/nfs/dbraw/zinc/95/64/82/398956482.db2.gz	XWPRDRNFKAGFFL-ZHACJKMWSA-N	0	3	319.408	2.820	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F	ZINC000599347679	398957859	/nfs/dbraw/zinc/95/78/59/398957859.db2.gz	HVQASOVRMNHTTK-NWDGAFQWSA-N	0	3	310.344	2.993	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000599354271	398959581	/nfs/dbraw/zinc/95/95/81/398959581.db2.gz	OSLHSZWINBODFB-ZBFHGGJFSA-N	0	3	320.408	2.856	20	30		DFEDHN
C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(OC(F)F)c1	ZINC000599351291	398958949	/nfs/dbraw/zinc/95/89/49/398958949.db2.gz	XFZZYNOAPFECJA-DGCLKSJQSA-N	0	3	310.344	2.993	20	30		DFEDHN
CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1	ZINC000599354814	398960181	/nfs/dbraw/zinc/96/01/81/398960181.db2.gz	RHUBBSREOWPBKS-GJZGRUSLSA-N	0	3	303.362	2.690	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1nc(C)cs1	ZINC000599359232	398961709	/nfs/dbraw/zinc/96/17/09/398961709.db2.gz	LXUGGGSMKYYQGV-UONOGXRCSA-N	0	3	323.462	2.564	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(OC)ns1)C(C)C	ZINC000621534658	398965191	/nfs/dbraw/zinc/96/51/91/398965191.db2.gz	JCHUODYLWKNKAC-ZDUSSCGKSA-N	0	3	323.462	2.580	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595551441	398966955	/nfs/dbraw/zinc/96/69/55/398966955.db2.gz	LZHIWKWDHQJDGQ-OAHLLOKOSA-N	0	3	306.454	2.634	20	30		DFEDHN
CC(=O)N(C[C@H]1CCCN1Cc1ccc(C)c(C#N)c1)C1CC1	ZINC000599373611	398967023	/nfs/dbraw/zinc/96/70/23/398967023.db2.gz	BWYLMSKJVFSESO-LJQANCHMSA-N	0	3	311.429	2.842	20	30		DFEDHN
Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)cc1C#N	ZINC000599381829	398968125	/nfs/dbraw/zinc/96/81/25/398968125.db2.gz	QCKHLCVESBKQGS-HXUWFJFHSA-N	0	3	317.392	2.963	20	30		DFEDHN
CCc1nc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)n[nH]1	ZINC000599389984	398970937	/nfs/dbraw/zinc/97/09/37/398970937.db2.gz	FHHYXOZBCKNMPT-UHFFFAOYSA-N	0	3	309.417	2.927	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)n1	ZINC000599389984	398970941	/nfs/dbraw/zinc/97/09/41/398970941.db2.gz	FHHYXOZBCKNMPT-UHFFFAOYSA-N	0	3	309.417	2.927	20	30		DFEDHN
COC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000599422751	398976314	/nfs/dbraw/zinc/97/63/14/398976314.db2.gz	WTJGPWDCPNIOLM-GJZGRUSLSA-N	0	3	308.809	2.672	20	30		DFEDHN
COc1cc(CNC[C@](C)(O)c2cccs2)ccc1C#N	ZINC000281471875	216324427	/nfs/dbraw/zinc/32/44/27/216324427.db2.gz	BMSHURYMKBVFRY-INIZCTEOSA-N	0	3	302.399	2.626	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NC2CCN(CC)CC2)c1	ZINC000056555106	398979371	/nfs/dbraw/zinc/97/93/71/398979371.db2.gz	VGYAPTPEXWXIJL-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CCCOC1	ZINC000600164577	398981818	/nfs/dbraw/zinc/98/18/18/398981818.db2.gz	IAPLRICGGHOFQT-SJORKVTESA-N	0	3	300.402	2.692	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000056623784	398982808	/nfs/dbraw/zinc/98/28/08/398982808.db2.gz	FXSVNTKTLJUHOL-HNNXBMFYSA-N	0	3	307.463	2.796	20	30		DFEDHN
CC[C@H](C)C[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000163102587	398984124	/nfs/dbraw/zinc/98/41/24/398984124.db2.gz	USYJWSFECHCUPZ-KBPBESRZSA-N	0	3	308.447	2.746	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@@H](O)CC1(C#N)CC1	ZINC000599450560	398985160	/nfs/dbraw/zinc/98/51/60/398985160.db2.gz	JVNLDTKGEUIYOT-GJZGRUSLSA-N	0	3	322.449	2.627	20	30		DFEDHN
C[C@@]1(c2cccc(F)c2)CCN(C[C@H](O)CC2(C#N)CC2)C1	ZINC000599452536	398986973	/nfs/dbraw/zinc/98/69/73/398986973.db2.gz	RSICQJINOXXBJJ-IAGOWNOFSA-N	0	3	302.393	2.844	20	30		DFEDHN
COC(=O)Cc1ccc(CNCc2ccc(C#N)c(C)c2)cc1	ZINC000600184150	398994038	/nfs/dbraw/zinc/99/40/38/398994038.db2.gz	GRKLTBCIEBVQJL-UHFFFAOYSA-N	0	3	308.381	2.872	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2)C1	ZINC000595609729	398996754	/nfs/dbraw/zinc/99/67/54/398996754.db2.gz	OHHOUTVBBHNMAW-ZFWWWQNUSA-N	0	3	308.809	2.705	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1C	ZINC000595609993	398996927	/nfs/dbraw/zinc/99/69/27/398996927.db2.gz	RINYMILMOMNAFZ-ZWKOTPCHSA-N	0	3	316.445	2.977	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1	ZINC000595609138	398997021	/nfs/dbraw/zinc/99/70/21/398997021.db2.gz	GQCXOXYSTFJCRG-SJORKVTESA-N	0	3	302.418	2.669	20	30		DFEDHN
Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000595609174	398997591	/nfs/dbraw/zinc/99/75/91/398997591.db2.gz	HMUQSRCOSDUVHG-SJORKVTESA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000595610469	398998790	/nfs/dbraw/zinc/99/87/90/398998790.db2.gz	ZGOYLKNZAOLVGY-RHSMWYFYSA-N	0	3	322.836	2.843	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)C1(F)F	ZINC000599512868	398999987	/nfs/dbraw/zinc/99/99/87/398999987.db2.gz	OQJOXGVCZVKWJN-GUTXKFCHSA-N	0	3	324.371	2.521	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)N2CCCc3ccccc32)C1	ZINC000595622827	399005773	/nfs/dbraw/zinc/00/57/73/399005773.db2.gz	DTBHQGDMLISZNS-MRXNPFEDSA-N	0	3	311.429	2.982	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CC[C@@H](c4ccc(O)cc4)C3)n2c1	ZINC000600214511	399010613	/nfs/dbraw/zinc/01/06/13/399010613.db2.gz	RRUZLJOGNVGYSY-MRXNPFEDSA-N	0	3	318.380	2.901	20	30		DFEDHN
C[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(C#N)cc1	ZINC000271818952	209242734	/nfs/dbraw/zinc/24/27/34/209242734.db2.gz	CCEJYLFSJQESED-JVPBZIDWSA-N	0	3	310.397	2.693	20	30		DFEDHN
COC(=O)c1cnc(C2CCN(CCCCC#N)CC2)s1	ZINC000599554816	399013116	/nfs/dbraw/zinc/01/31/16/399013116.db2.gz	RMKDKUAUATWODN-UHFFFAOYSA-N	0	3	307.419	2.803	20	30		DFEDHN
Cc1csc(=O)n1CCNC(C)(C)c1cccc(C#N)c1	ZINC000595641058	399014332	/nfs/dbraw/zinc/01/43/32/399014332.db2.gz	YMDZLGJDLSVNLS-UHFFFAOYSA-N	0	3	301.415	2.615	20	30		DFEDHN
CC(C)CC[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000600308018	399029782	/nfs/dbraw/zinc/02/97/82/399029782.db2.gz	ZXHLSNDHKNQOAN-DLBZAZTESA-N	0	3	302.418	2.672	20	30		DFEDHN
N#Cc1ccc(C2(NCCOCC3CCC3)CCOCC2)cc1	ZINC000599630066	399034442	/nfs/dbraw/zinc/03/44/42/399034442.db2.gz	MDRDZKGCHMUIJW-UHFFFAOYSA-N	0	3	314.429	2.970	20	30		DFEDHN
CC(C)COCCNC1(c2ccc(C#N)cc2)CCOCC1	ZINC000599634123	399036257	/nfs/dbraw/zinc/03/62/57/399036257.db2.gz	QYRBTMJDCCVSCG-UHFFFAOYSA-N	0	3	302.418	2.826	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000092070417	193153011	/nfs/dbraw/zinc/15/30/11/193153011.db2.gz	YJCNHVOTRRCDGD-SFHVURJKSA-N	0	3	324.428	2.592	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1cc(C)ccc1C	ZINC000599640156	399039106	/nfs/dbraw/zinc/03/91/06/399039106.db2.gz	DYPRMBIHSMMRLB-GDBMZVCRSA-N	0	3	317.433	2.744	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]2CCC[C@@H]21	ZINC000599655332	399047131	/nfs/dbraw/zinc/04/71/31/399047131.db2.gz	PQXMSYLHEOVFKV-KURKYZTESA-N	0	3	312.413	2.916	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000595730032	399058158	/nfs/dbraw/zinc/05/81/58/399058158.db2.gz	ZIOUVMKGVKALEU-NVXWUHKLSA-N	0	3	311.429	2.588	20	30		DFEDHN
C[C@H]1CCCN1C(=O)CCN1CCc2c(CC#N)cccc2C1	ZINC000599679038	399058617	/nfs/dbraw/zinc/05/86/17/399058617.db2.gz	OEFVLELGUIHVMW-HNNXBMFYSA-N	0	3	311.429	2.512	20	30		DFEDHN
COC(=O)C(C)(C)CCN1CCc2c(CC#N)cccc2C1	ZINC000599677790	399058676	/nfs/dbraw/zinc/05/86/76/399058676.db2.gz	LGROQOUCELOWPD-UHFFFAOYSA-N	0	3	300.402	2.700	20	30		DFEDHN
COCCSCCCN1CCc2c(CC#N)cccc2C1	ZINC000599677492	399059545	/nfs/dbraw/zinc/05/95/45/399059545.db2.gz	HUNGCPOGKYDNHK-UHFFFAOYSA-N	0	3	304.459	2.880	20	30		DFEDHN
N#Cc1ccc(N2CCN(c3ccnc4ccccc43)CC2)nc1	ZINC000171859311	399060877	/nfs/dbraw/zinc/06/08/77/399060877.db2.gz	FADWLFPPWBZZNN-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595736055	399063322	/nfs/dbraw/zinc/06/33/22/399063322.db2.gz	VUTLUIGLEVSILR-CQSZACIVSA-N	0	3	309.417	2.869	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](SC)C2)CC1	ZINC000172336207	399075487	/nfs/dbraw/zinc/07/54/87/399075487.db2.gz	KRAJJMMDZGLHKQ-CABCVRRESA-N	0	3	311.495	2.610	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000595800036	399090348	/nfs/dbraw/zinc/09/03/48/399090348.db2.gz	PRVRWAICAVWRFO-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000618351193	399092753	/nfs/dbraw/zinc/09/27/53/399092753.db2.gz	REUUCHYBIUJKDS-KRWDZBQOSA-N	0	3	300.446	2.974	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CCC(c2ccon2)CC1	ZINC000595827276	399100767	/nfs/dbraw/zinc/10/07/67/399100767.db2.gz	BXNKHNTXYYQMAS-UHFFFAOYSA-N	0	3	324.384	2.754	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)c(OC(F)F)c1	ZINC000595829015	399102586	/nfs/dbraw/zinc/10/25/86/399102586.db2.gz	GHJGSKHNUVQXOS-ZIAGYGMSSA-N	0	3	308.328	2.628	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc3[nH]c(C)nc32)CC1	ZINC000283977088	335008616	/nfs/dbraw/zinc/00/86/16/335008616.db2.gz	MMSDPCJRZLLUPX-UHFFFAOYSA-N	0	3	312.417	2.642	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)C1	ZINC000595838744	399107881	/nfs/dbraw/zinc/10/78/81/399107881.db2.gz	VIYVNOLMUTYTOC-UWWQBHOKSA-N	0	3	305.466	2.941	20	30		DFEDHN
Cc1cc(CNCc2cccc(C#N)c2)ccc1-n1cncn1	ZINC000174263675	399109147	/nfs/dbraw/zinc/10/91/47/399109147.db2.gz	CMUKMYFUBTZMBO-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
N#CC1(CCCN[C@@H](CO)c2ccc(F)cc2F)CCOCC1	ZINC000595868809	399117314	/nfs/dbraw/zinc/11/73/14/399117314.db2.gz	ZXQMZYANYJRWDG-INIZCTEOSA-N	0	3	324.371	2.688	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cc(Br)cs2)CC1	ZINC000600717594	399123160	/nfs/dbraw/zinc/12/31/60/399123160.db2.gz	RGEVUWOKCAYCBQ-SNVBAGLBSA-N	0	3	315.236	2.655	20	30		DFEDHN
CC(C)COc1ccccc1CNC[C@@H](O)CC1(C#N)CC1	ZINC000600719919	399123230	/nfs/dbraw/zinc/12/32/30/399123230.db2.gz	LTMOGHFSLBOFSV-INIZCTEOSA-N	0	3	302.418	2.866	20	30		DFEDHN
CCC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccn1	ZINC000600721332	399124629	/nfs/dbraw/zinc/12/46/29/399124629.db2.gz	LHNUQEUUUWHSAD-HZPDHXFCSA-N	0	3	317.433	2.584	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2OCC2CC2)CC1	ZINC000600725934	399125285	/nfs/dbraw/zinc/12/52/85/399125285.db2.gz	RVHGSFVSFCAEAS-INIZCTEOSA-N	0	3	300.402	2.620	20	30		DFEDHN
CCC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccn1	ZINC000600721333	399124167	/nfs/dbraw/zinc/12/41/67/399124167.db2.gz	LHNUQEUUUWHSAD-JKSUJKDBSA-N	0	3	317.433	2.584	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CCCC(=O)NC)ccc1OC	ZINC000093734164	193298741	/nfs/dbraw/zinc/29/87/41/193298741.db2.gz	MXOFOZJJATZHPA-UHFFFAOYSA-N	0	3	320.433	2.608	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2nc3ccccc3n2C2CC2)CC1	ZINC000600733017	399128563	/nfs/dbraw/zinc/12/85/63/399128563.db2.gz	AEZZNJTUKANEOP-CQSZACIVSA-N	0	3	310.401	2.516	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@@H](C)NC[C@@H](O)CC1(C#N)CC1	ZINC000600733300	399128523	/nfs/dbraw/zinc/12/85/23/399128523.db2.gz	YMSMCZOXTHDLSJ-WWGRRREGSA-N	0	3	306.381	2.546	20	30		DFEDHN
CN(C[C@H]1CC1(C)C)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000595907617	399130525	/nfs/dbraw/zinc/13/05/25/399130525.db2.gz	CDNHFJKADOMXPP-OLZOCXBDSA-N	0	3	303.431	2.703	20	30		DFEDHN
COCC1(NCC(=O)N(C)C2(C#N)CCCCC2)CCCCC1	ZINC000595911138	399132068	/nfs/dbraw/zinc/13/20/68/399132068.db2.gz	NSNQOHPPAWKEED-UHFFFAOYSA-N	0	3	321.465	2.610	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1	ZINC000600749702	399135477	/nfs/dbraw/zinc/13/54/77/399135477.db2.gz	YJKBHMUEWBOCAH-QPUJVOFHSA-N	0	3	301.173	2.693	20	30		DFEDHN
N#CC1(CC(=O)NCCCNCc2cccnc2)CCCCC1	ZINC000595919116	399136389	/nfs/dbraw/zinc/13/63/89/399136389.db2.gz	IKQDGLPLPBBZOS-UHFFFAOYSA-N	0	3	314.433	2.542	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CC=CCC2)cc1	ZINC000600763153	399138663	/nfs/dbraw/zinc/13/86/63/399138663.db2.gz	ROVJJBMMKCPRHQ-OAHLLOKOSA-N	0	3	318.442	2.668	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCC(F)(F)F)c1)c1ccccn1	ZINC000181484737	399140618	/nfs/dbraw/zinc/14/06/18/399140618.db2.gz	SILKDHHURQCBHE-LLVKDONJSA-N	0	3	308.263	2.721	20	30		DFEDHN
CCC(O)(CC)CN(C)C(=O)C(C#N)CCc1ccccc1	ZINC000600767517	399139845	/nfs/dbraw/zinc/13/98/45/399139845.db2.gz	RBUDSFNBVIRYML-INIZCTEOSA-N	0	3	302.418	2.768	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000600782019	399144275	/nfs/dbraw/zinc/14/42/75/399144275.db2.gz	HSTIFSOJHHAQSR-GASCZTMLSA-N	0	3	311.429	2.510	20	30		DFEDHN
C=CCOCCCC(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000080401811	399144308	/nfs/dbraw/zinc/14/43/08/399144308.db2.gz	DEQTVPJHDVXKNV-UHFFFAOYSA-N	0	3	320.433	2.857	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)[C@H](C1CC1)N1CCCC1)C2	ZINC000600784033	399144676	/nfs/dbraw/zinc/14/46/76/399144676.db2.gz	IWRHQJVBIMETPH-IBGZPJMESA-N	0	3	323.440	2.512	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H]1CCCc2[nH]c(=O)ccc21	ZINC000264596169	204017324	/nfs/dbraw/zinc/01/73/24/204017324.db2.gz	YOKLVDPOAGUGAL-INIZCTEOSA-N	0	3	308.381	2.966	20	30		DFEDHN
CC(C)C1CCC(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)CC1	ZINC000182776276	399150049	/nfs/dbraw/zinc/15/00/49/399150049.db2.gz	QYVKPIRHMLAJJD-GTPINHCMSA-N	0	3	320.481	2.688	20	30		DFEDHN
N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](F)[C@H](N)C1	ZINC000596030141	399151984	/nfs/dbraw/zinc/15/19/84/399151984.db2.gz	LDYMGXVHCVZDKC-ZYHUDNBSSA-N	0	3	322.746	2.774	20	30		DFEDHN
CN1CCN(Cc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1	ZINC000618572246	399164159	/nfs/dbraw/zinc/16/41/59/399164159.db2.gz	XZOSLYWTFKYUFF-PKOBYXMFSA-N	0	3	312.461	2.928	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)n1	ZINC000288232520	220033384	/nfs/dbraw/zinc/03/33/84/220033384.db2.gz	NNXJDCHOYHDQRI-YOEHRIQHSA-N	0	3	307.401	2.732	20	30		DFEDHN
N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCN(C2CC2)C1	ZINC000596087265	399168502	/nfs/dbraw/zinc/16/85/02/399168502.db2.gz	HMUAPURBXGVRPG-CYBMUJFWSA-N	0	3	312.804	2.830	20	30		DFEDHN
CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1C#N)N1CCCCC1	ZINC000596091670	399169593	/nfs/dbraw/zinc/16/95/93/399169593.db2.gz	BUIOJOGIEPDNEE-LSDHHAIUSA-N	0	3	306.454	2.632	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000596086728	399168969	/nfs/dbraw/zinc/16/89/69/399168969.db2.gz	AQWYIIRHLHZOFP-BRWVUGGUSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC(C)C(=O)NCCN(C)Cc1ccc(C(C)(C)C#N)cc1	ZINC000614176748	399170076	/nfs/dbraw/zinc/17/00/76/399170076.db2.gz	BTKLRWJXDLFFGJ-UHFFFAOYSA-N	0	3	301.434	2.692	20	30		DFEDHN
CCc1nc(C#N)cc(N2CCN(CC3CCCCC3)CC2)n1	ZINC000596099779	399173160	/nfs/dbraw/zinc/17/31/60/399173160.db2.gz	XPFPBDUEALSBEY-UHFFFAOYSA-N	0	3	313.449	2.613	20	30		DFEDHN
C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)OC(C)(C)C	ZINC000282676064	217168424	/nfs/dbraw/zinc/16/84/24/217168424.db2.gz	JUOCMALTFPUUEZ-LLVKDONJSA-N	0	3	309.435	2.965	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@H]1NCc1ccnc(C#N)c1	ZINC000614214317	399176861	/nfs/dbraw/zinc/17/68/61/399176861.db2.gz	BUQCZWIBHAVSMH-JKSUJKDBSA-N	0	3	301.390	2.555	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1CC1	ZINC000193488984	399176989	/nfs/dbraw/zinc/17/69/89/399176989.db2.gz	DGXCSIJZOZNFCN-CYBMUJFWSA-N	0	3	303.381	2.803	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2	ZINC000271719131	209154003	/nfs/dbraw/zinc/15/40/03/209154003.db2.gz	LBSJCZZNRYYXPY-DUVNUKRYSA-N	0	3	318.417	2.774	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)c1ccccc1CC#N	ZINC000600961809	399188533	/nfs/dbraw/zinc/18/85/33/399188533.db2.gz	SOFCUTCFIFOFGF-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
COc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N	ZINC000266184538	205166841	/nfs/dbraw/zinc/16/68/41/205166841.db2.gz	GZSWHDCKXVJTSA-LJQANCHMSA-N	0	3	321.424	2.931	20	30		DFEDHN
C=CCOCCCC(=O)NCCCN(C)Cc1ccccc1	ZINC000266262629	205223579	/nfs/dbraw/zinc/22/35/79/205223579.db2.gz	NUDUGPYFIVZLQA-UHFFFAOYSA-N	0	3	304.434	2.608	20	30		DFEDHN
CCc1nc(C#N)cc(N(CCN(C)C)Cc2cccs2)n1	ZINC000596161320	399197104	/nfs/dbraw/zinc/19/71/04/399197104.db2.gz	UETPYQIOWFVVPP-UHFFFAOYSA-N	0	3	315.446	2.540	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601013626	399202847	/nfs/dbraw/zinc/20/28/47/399202847.db2.gz	HRHNGJZKTCGGQM-RBSFLKMASA-N	0	3	303.450	2.553	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N(C)C	ZINC000266414466	205329583	/nfs/dbraw/zinc/32/95/83/205329583.db2.gz	SBHULTWNSZMKMN-SECBINFHSA-N	0	3	314.311	2.649	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601013625	399203165	/nfs/dbraw/zinc/20/31/65/399203165.db2.gz	HRHNGJZKTCGGQM-QLFBSQMISA-N	0	3	303.450	2.553	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCN2CC#Cc2ccccc2)C[C@@H](C)O1	ZINC000191965001	335020195	/nfs/dbraw/zinc/02/01/95/335020195.db2.gz	RRBSEVSWYYVGFE-GGPKGHCWSA-N	0	3	312.457	2.612	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)N1CCC(C)CC1	ZINC000285239196	335022293	/nfs/dbraw/zinc/02/22/93/335022293.db2.gz	VZKMVKKOXRRVEB-HKUYNNGSSA-N	0	3	312.457	2.858	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](CC)c2ccc(OC)c(OC)c2)C1=O	ZINC000285256992	335022450	/nfs/dbraw/zinc/02/24/50/335022450.db2.gz	XCZZTSHLUFZKRA-GJZGRUSLSA-N	0	3	318.417	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2nc(C(C)C)oc2C)CC1	ZINC000285322359	335023135	/nfs/dbraw/zinc/02/31/35/335023135.db2.gz	IZKCXTDTKQLOTD-UHFFFAOYSA-N	0	3	305.422	2.877	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN[C@@H](CCO)c2ccccc2)cc1	ZINC000271665361	209107340	/nfs/dbraw/zinc/10/73/40/209107340.db2.gz	LWTMFWICJDCHET-SFHVURJKSA-N	0	3	323.396	2.600	20	30		DFEDHN
C#CCCCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000192217837	335023673	/nfs/dbraw/zinc/02/36/73/335023673.db2.gz	NWWVMEPWWWGFPQ-HNNXBMFYSA-N	0	3	319.474	2.535	20	30		DFEDHN
Cn1nnc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc21	ZINC000618741565	399227143	/nfs/dbraw/zinc/22/71/43/399227143.db2.gz	GHXVJXHKWBVVGX-INIZCTEOSA-N	0	3	303.369	2.617	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1c1cc(C#N)nc(C2CC2)n1	ZINC000601125854	399234219	/nfs/dbraw/zinc/23/42/19/399234219.db2.gz	KPJDJBHSCGDWIE-HOTGVXAUSA-N	0	3	311.433	2.679	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1c1cc(C#N)nc(C2CC2)n1	ZINC000601125843	399234283	/nfs/dbraw/zinc/23/42/83/399234283.db2.gz	KPJDJBHSCGDWIE-CVEARBPZSA-N	0	3	311.433	2.679	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000618767534	399232457	/nfs/dbraw/zinc/23/24/57/399232457.db2.gz	LUTLJQIASZXLPT-SJORKVTESA-N	0	3	300.402	2.533	20	30		DFEDHN
C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000267491102	206104231	/nfs/dbraw/zinc/10/42/31/206104231.db2.gz	GCIHJZDIOKZGQB-AEFFLSMTSA-N	0	3	313.445	2.704	20	30		DFEDHN
COc1ccccc1C[C@](C)(CO)NCc1cc(C#N)cs1	ZINC000601153816	399242565	/nfs/dbraw/zinc/24/25/65/399242565.db2.gz	UAOGYRVODWOWOQ-QGZVFWFLSA-N	0	3	316.426	2.712	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1O	ZINC000286281548	335031410	/nfs/dbraw/zinc/03/14/10/335031410.db2.gz	BTAKKNCCBSYZRC-HUUCEWRRSA-N	0	3	313.319	2.782	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N1[C@H](C)CC[C@@H]1C	ZINC000618893580	399253680	/nfs/dbraw/zinc/25/36/80/399253680.db2.gz	PFTIWDOIYQZGRT-KYZVSKTDSA-N	0	3	311.429	2.923	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC(C2CC2)C2CC2)CC1	ZINC000608426146	399262509	/nfs/dbraw/zinc/26/25/09/399262509.db2.gz	AMKJZCAMXYCABJ-UHFFFAOYSA-N	0	3	305.466	2.762	20	30		DFEDHN
CC(=O)Nc1ccn([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)n1	ZINC000614740431	399265215	/nfs/dbraw/zinc/26/52/15/399265215.db2.gz	GSLMBEMZFDOEEP-GUYCJALGSA-N	0	3	323.400	2.721	20	30		DFEDHN
CC(=O)N(C[C@H]1CCCN1Cc1ccc(C#N)cc1C)C1CC1	ZINC000614781663	399267198	/nfs/dbraw/zinc/26/71/98/399267198.db2.gz	ZVRCWNHYNYWPIK-LJQANCHMSA-N	0	3	311.429	2.842	20	30		DFEDHN
Cc1cccnc1[C@@H]1CCC[C@H](N2CCN(CCC#N)CC2)C1	ZINC000601316105	399276321	/nfs/dbraw/zinc/27/63/21/399276321.db2.gz	GXJQIWXBBRDZTG-MSOLQXFVSA-N	0	3	312.461	2.948	20	30		DFEDHN
CCC[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000608815973	399297449	/nfs/dbraw/zinc/29/74/49/399297449.db2.gz	QCHOGIYQJBNPCO-WBVHZDCISA-N	0	3	317.408	2.846	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)C1(C#N)CC(C)C1	ZINC000601622087	399310278	/nfs/dbraw/zinc/31/02/78/399310278.db2.gz	RDJWIPRQEQDSDS-UHFFFAOYSA-N	0	3	301.390	2.635	20	30		DFEDHN
N#Cc1c[nH]nc1NC(=O)c1ccc(CN2CCCCC2)cc1	ZINC000601640503	399313550	/nfs/dbraw/zinc/31/35/50/399313550.db2.gz	YRWQWCLGDUKENO-UHFFFAOYSA-N	0	3	309.373	2.520	20	30		DFEDHN
C[C@H](C#N)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1	ZINC000601706520	399325626	/nfs/dbraw/zinc/32/56/26/399325626.db2.gz	XHKFUZGIAUEVNG-ZWNOBZJWSA-N	0	3	313.323	2.584	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccccc2C#N)C(C)(C)CO1	ZINC000609671718	399329732	/nfs/dbraw/zinc/32/97/32/399329732.db2.gz	KQGLMARXPMLCQG-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=C(C)CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000286835178	335040026	/nfs/dbraw/zinc/04/00/26/335040026.db2.gz	RWORBXFGBQJJTP-HNNXBMFYSA-N	0	3	308.372	2.836	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(CCF)CC2)cc1	ZINC000601747016	399330048	/nfs/dbraw/zinc/33/00/48/399330048.db2.gz	HMDWHCYTXNQRRG-QGZVFWFLSA-N	0	3	313.376	2.839	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1	ZINC000609920607	399336472	/nfs/dbraw/zinc/33/64/72/399336472.db2.gz	UEUFLZGWQJMZJU-SWLSCSKDSA-N	0	3	305.809	2.753	20	30		DFEDHN
CC(C#N)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	ZINC000609921205	399336534	/nfs/dbraw/zinc/33/65/34/399336534.db2.gz	YABRKTIVBPGFEM-PRJMDXOYSA-N	0	3	302.218	2.735	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCOC1	ZINC000274044332	211302573	/nfs/dbraw/zinc/30/25/73/211302573.db2.gz	OSXXKWAPEUETGG-ZIAGYGMSSA-N	0	3	320.458	2.918	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](C(F)F)CC1	ZINC000601825675	399344155	/nfs/dbraw/zinc/34/41/55/399344155.db2.gz	RTXCNPHCFUZEQA-GJZGRUSLSA-N	0	3	322.355	2.642	20	30		DFEDHN
N#CC[C@H](CC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1	ZINC000619435592	399345930	/nfs/dbraw/zinc/34/59/30/399345930.db2.gz	ALSDYUHCAYXBCK-QZTJIDSGSA-N	0	3	311.429	2.674	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000619508563	399355533	/nfs/dbraw/zinc/35/55/33/399355533.db2.gz	LQLKNUQTOJRMEC-HKUYNNGSSA-N	0	3	313.445	2.636	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610351954	399359568	/nfs/dbraw/zinc/35/95/68/399359568.db2.gz	WEVOVMNSOMFXJT-WMLDXEAASA-N	0	3	314.433	2.793	20	30		DFEDHN
C[S@](=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC1	ZINC000619554534	399361327	/nfs/dbraw/zinc/36/13/27/399361327.db2.gz	RQRRKMBIUIUQCG-IERDGZPVSA-N	0	3	302.443	2.826	20	30		DFEDHN
N#C[C@@]1(F)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1	ZINC000615609093	399361712	/nfs/dbraw/zinc/36/17/12/399361712.db2.gz	YACRNNLKEZQABO-SFHVURJKSA-N	0	3	315.392	2.750	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC(C3CCCCC3)C2)CCOCC1	ZINC000601957891	399368624	/nfs/dbraw/zinc/36/86/24/399368624.db2.gz	JKQHXHFQRLIXAQ-QGZVFWFLSA-N	0	3	306.450	2.570	20	30		DFEDHN
CC[C@@H]1CN(CCn2cccn2)CCN1CCCC(C)(C)C#N	ZINC000610447829	399368571	/nfs/dbraw/zinc/36/85/71/399368571.db2.gz	GRCPSQFZNKIMBD-QGZVFWFLSA-N	0	3	317.481	2.609	20	30		DFEDHN
CCN1CCCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1	ZINC000610515209	399376157	/nfs/dbraw/zinc/37/61/57/399376157.db2.gz	CGLDYBXHRVMFTG-UHFFFAOYSA-N	0	3	316.355	2.917	20	30		DFEDHN
C=C[C@H](C(=O)OC)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000619718654	399382107	/nfs/dbraw/zinc/38/21/07/399382107.db2.gz	TXKGRQYXDVORJL-OFLPRAFFSA-N	0	3	308.466	2.546	20	30		DFEDHN
CN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000285248703	218350944	/nfs/dbraw/zinc/35/09/44/218350944.db2.gz	ICWVMENPFCPABO-MRXNPFEDSA-N	0	3	317.408	2.528	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619775227	399390212	/nfs/dbraw/zinc/39/02/12/399390212.db2.gz	WHNXXNYKAZAMHN-HNNXBMFYSA-N	0	3	305.809	2.702	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619780608	399390807	/nfs/dbraw/zinc/39/08/07/399390807.db2.gz	YHJAZXAUOLXGAZ-TXEJJXNPSA-N	0	3	305.809	2.701	20	30		DFEDHN
CN(C)C(=O)C1(NCc2ccc(C#N)c(F)c2)CCCCC1	ZINC000451396137	269683063	/nfs/dbraw/zinc/68/30/63/269683063.db2.gz	ABWDDQPNHNYLJI-UHFFFAOYSA-N	0	3	303.381	2.578	20	30		DFEDHN
CCN1C[C@H](C)[C@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)C1	ZINC000610678657	399391853	/nfs/dbraw/zinc/39/18/53/399391853.db2.gz	ZMHYNKWFZDMULK-BLLLJJGKSA-N	0	3	312.392	2.728	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000287522556	335044453	/nfs/dbraw/zinc/04/44/53/335044453.db2.gz	VIPQMAFUYUETDI-OALUTQOASA-N	0	3	310.441	2.612	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)cc1	ZINC000268876692	207045584	/nfs/dbraw/zinc/04/55/84/207045584.db2.gz	VNQCPLGLMJSHIU-TZMCWYRMSA-N	0	3	308.809	2.699	20	30		DFEDHN
CC(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccnn1C	ZINC000615943550	399403492	/nfs/dbraw/zinc/40/34/92/399403492.db2.gz	ZWLZCHKVGHUOIZ-HNNXBMFYSA-N	0	3	300.381	2.960	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@@H](n3ccnc3)C2)c1	ZINC000610786262	399405947	/nfs/dbraw/zinc/40/59/47/399405947.db2.gz	FMSGAWRZSVUVGC-QGZVFWFLSA-N	0	3	310.401	2.861	20	30		DFEDHN
COc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602187344	399407140	/nfs/dbraw/zinc/40/71/40/399407140.db2.gz	GKEGXRASMCBWBZ-MRXNPFEDSA-N	0	3	323.396	2.521	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCn2nccc21	ZINC000602215723	399411079	/nfs/dbraw/zinc/41/10/79/399411079.db2.gz	YFTBNOWWILBEPA-HOTGVXAUSA-N	0	3	308.385	2.607	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN(C)C2)cc1C#N	ZINC000610936730	399419809	/nfs/dbraw/zinc/41/98/09/399419809.db2.gz	ICNKODPLYNFRAY-OAHLLOKOSA-N	0	3	316.405	2.561	20	30		DFEDHN
Cc1cc(C#N)ccc1OC[C@@H](O)CN(C)Cc1ccccc1	ZINC000611113530	399435156	/nfs/dbraw/zinc/43/51/56/399435156.db2.gz	TYVGIJQSNVKQEU-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
CCCN(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1	ZINC000611170246	399441320	/nfs/dbraw/zinc/44/13/20/399441320.db2.gz	LYXNUDAIMIHQDG-QGZVFWFLSA-N	0	3	320.458	2.595	20	30		DFEDHN
CC(C)N(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1	ZINC000611170315	399441416	/nfs/dbraw/zinc/44/14/16/399441416.db2.gz	HTYVLGDURLAENQ-QGZVFWFLSA-N	0	3	320.458	2.593	20	30		DFEDHN
Cn1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1=O	ZINC000611245283	399450913	/nfs/dbraw/zinc/45/09/13/399450913.db2.gz	QHYDMIBAAGFNHJ-UHFFFAOYSA-N	0	3	305.381	2.546	20	30		DFEDHN
C[C@H](CCC#N)CN1CCCN(C(=O)c2ccccc2F)CC1	ZINC000602442759	399444950	/nfs/dbraw/zinc/44/49/50/399444950.db2.gz	XKNUEDXRWYUZED-OAHLLOKOSA-N	0	3	317.408	2.913	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1OC	ZINC000623752379	399458974	/nfs/dbraw/zinc/45/89/74/399458974.db2.gz	DXVDJLIJKGPQJZ-DOTOQJQBSA-N	0	3	303.402	2.917	20	30		DFEDHN
C[C@@H](NCc1cccn(C(F)F)c1=O)c1ccc(C#N)cc1	ZINC000602508455	399463610	/nfs/dbraw/zinc/46/36/10/399463610.db2.gz	CHSRNXQOMMWZFO-LLVKDONJSA-N	0	3	303.312	2.966	20	30		DFEDHN
N#Cc1cccc(CNCCc2ccc(OC(F)F)cc2)n1	ZINC000602504837	399462870	/nfs/dbraw/zinc/46/28/70/399462870.db2.gz	WUVLCWZNWTWVTA-UHFFFAOYSA-N	0	3	303.312	2.887	20	30		DFEDHN
N#Cc1cccc(CNC2CCN(Cc3ccc(F)cc3)CC2)n1	ZINC000602519084	399466564	/nfs/dbraw/zinc/46/65/64/399466564.db2.gz	VHYXXHGYGJMBQZ-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000287684565	335046658	/nfs/dbraw/zinc/04/66/58/335046658.db2.gz	IHLDWRPUJQYCKK-FXAWDEMLSA-N	0	3	322.452	2.676	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1	ZINC000602529187	399468601	/nfs/dbraw/zinc/46/86/01/399468601.db2.gz	FLXRTCOZBWRYCE-CZUORRHYSA-N	0	3	321.371	2.692	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCNC(=O)c1ccco1	ZINC000611390453	399469604	/nfs/dbraw/zinc/46/96/04/399469604.db2.gz	BGNMLYZIFXNZPO-MRXNPFEDSA-N	0	3	309.369	2.548	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCC(=O)N1CCCCC1	ZINC000611390770	399469733	/nfs/dbraw/zinc/46/97/33/399469733.db2.gz	CMKXLZAATMOSCS-GOSISDBHSA-N	0	3	311.429	2.928	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)cc1	ZINC000623814676	399471469	/nfs/dbraw/zinc/47/14/69/399471469.db2.gz	NOLOVVIRYIIINB-JKSUJKDBSA-N	0	3	315.373	2.563	20	30		DFEDHN
C=CCCOCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000620329450	399479179	/nfs/dbraw/zinc/47/91/79/399479179.db2.gz	RCFHYZVUANZGPB-INIZCTEOSA-N	0	3	300.402	2.590	20	30		DFEDHN
COc1ccc([C@@H](OC)[C@@H](C)NCc2cccc(C#N)n2)cc1	ZINC000602582663	399482112	/nfs/dbraw/zinc/48/21/12/399482112.db2.gz	MYHHLJQDHPJMTE-ACJLOTCBSA-N	0	3	311.385	2.828	20	30		DFEDHN
CCc1nn(C)c(CC)c1CN[C@H](C)CC1(C#N)CCOCC1	ZINC000602581857	399482287	/nfs/dbraw/zinc/48/22/87/399482287.db2.gz	KFWHNIDUTBCDOY-CQSZACIVSA-N	0	3	318.465	2.733	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1	ZINC000602582691	399482372	/nfs/dbraw/zinc/48/23/72/399482372.db2.gz	RXBCYOBKTFAKIX-MRXNPFEDSA-N	0	3	312.804	2.975	20	30		DFEDHN
N#CC1CCC(NCC(=O)Nc2ccc(F)c(F)c2F)CC1	ZINC000602587716	399484303	/nfs/dbraw/zinc/48/43/03/399484303.db2.gz	SMYSBPWWMTYBLB-UHFFFAOYSA-N	0	3	311.307	2.714	20	30		DFEDHN
CSCCc1ccccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000602587292	399484315	/nfs/dbraw/zinc/48/43/15/399484315.db2.gz	QMBVPZSRMRONNA-AWEZNQCLSA-N	0	3	305.447	2.942	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1cccc(C#N)n1	ZINC000602619673	399492367	/nfs/dbraw/zinc/49/23/67/399492367.db2.gz	ZLJUPYZNKQKSNL-DNVCBOLYSA-N	0	3	306.413	2.563	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F	ZINC000611587552	399498029	/nfs/dbraw/zinc/49/80/29/399498029.db2.gz	HPDFEBAIPSFRGV-WBHUJUFNSA-N	0	3	317.408	2.995	20	30		DFEDHN
CN(C)[C@H]1CCOc2c(NCc3cccc(C#N)n3)cccc21	ZINC000602638358	399499530	/nfs/dbraw/zinc/49/95/30/399499530.db2.gz	ADELWKSKIQOGDM-KRWDZBQOSA-N	0	3	308.385	2.951	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)c(F)c1)CC1CC1	ZINC000616750702	399510517	/nfs/dbraw/zinc/51/05/17/399510517.db2.gz	HOBLEJISRGNLRY-UHFFFAOYSA-N	0	3	304.365	2.863	20	30		DFEDHN
COc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccc1C#N	ZINC000602669080	399512550	/nfs/dbraw/zinc/51/25/50/399512550.db2.gz	ZXAKMXJHVMIBDI-CQSZACIVSA-N	0	3	313.401	2.755	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2cnn(C)c2c1	ZINC000602678393	399516828	/nfs/dbraw/zinc/51/68/28/399516828.db2.gz	WJKUNIXVGXPARY-AWEZNQCLSA-N	0	3	312.417	2.762	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)OCc2ccc(C)cc2)CC1	ZINC000625322869	399520198	/nfs/dbraw/zinc/52/01/98/399520198.db2.gz	LOKXOYMCCMROOU-INIZCTEOSA-N	0	3	316.445	2.667	20	30		DFEDHN
CC(C)[C@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C	ZINC000602705712	399530206	/nfs/dbraw/zinc/53/02/06/399530206.db2.gz	ONYGWMLIWUUFOE-HNNXBMFYSA-N	0	3	303.406	2.657	20	30		DFEDHN
Cc1cc(C#N)nc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000288611425	220286533	/nfs/dbraw/zinc/28/65/33/220286533.db2.gz	ZLYFZNHACADLFL-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H](Cc1ccc(F)cc1)C(C)C	ZINC000272919536	210306835	/nfs/dbraw/zinc/30/68/35/210306835.db2.gz	XYARBNWGILVDNI-MRXNPFEDSA-N	0	3	313.438	2.583	20	30		DFEDHN
CC(C)n1ccnc1CN1CCCN(CC2(CC#N)CC2)CC1	ZINC000602775492	399567034	/nfs/dbraw/zinc/56/70/34/399567034.db2.gz	KFEAIGLMVPOICA-UHFFFAOYSA-N	0	3	315.465	2.666	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000287998559	335050804	/nfs/dbraw/zinc/05/08/04/335050804.db2.gz	XJTYMDJSCHCREU-KRWDZBQOSA-N	0	3	316.832	2.722	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C(C)C	ZINC000288302136	335051721	/nfs/dbraw/zinc/05/17/21/335051721.db2.gz	WLKGTIHVUVAVPJ-GOSISDBHSA-N	0	3	315.461	2.603	20	30		DFEDHN
Cc1ccc(N2CCCN(Cc3ccc(CC#N)cc3)CC2)nn1	ZINC000612070228	399571365	/nfs/dbraw/zinc/57/13/65/399571365.db2.gz	BWHRDKNAQIROHD-UHFFFAOYSA-N	0	3	321.428	2.563	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1	ZINC000271262418	208755356	/nfs/dbraw/zinc/75/53/56/208755356.db2.gz	ZOUMBJHQDCXSIG-GOSISDBHSA-N	0	3	313.372	2.531	20	30		DFEDHN
Cc1cnc(CCN(C)CCOc2ccccc2C#N)s1	ZINC000157798743	197216496	/nfs/dbraw/zinc/21/64/96/197216496.db2.gz	LQJMBHRXLLTCEW-UHFFFAOYSA-N	0	3	301.415	2.877	20	30		DFEDHN
COc1ccc([C@@H](CN2CCCC2)Nc2ccc(C#N)nn2)cc1	ZINC000302041673	533120932	/nfs/dbraw/zinc/12/09/32/533120932.db2.gz	IFVCHHYMFUUOLN-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN1C(=O)C[C@H](NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1	ZINC000602820904	399589061	/nfs/dbraw/zinc/58/90/61/399589061.db2.gz	NDQJYLFYWITUFR-GOEBONIOSA-N	0	3	317.820	2.895	20	30		DFEDHN
CC(CN1CCC[C@@](C)(C#N)C1)CN1CCC[C@@](C)(C#N)C1	ZINC000612167262	399597890	/nfs/dbraw/zinc/59/78/90/399597890.db2.gz	WXDYLIKWAWKBSX-ROUUACIJSA-N	0	3	302.466	2.874	20	30		DFEDHN
N#CC1(CCN2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CCCCC1	ZINC000602858794	399605899	/nfs/dbraw/zinc/60/58/99/399605899.db2.gz	BTYCUOTWBXOSQL-ZDUSSCGKSA-N	0	3	316.405	2.541	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C	ZINC000602874468	399610901	/nfs/dbraw/zinc/61/09/01/399610901.db2.gz	RDCZXGZXJFQLIZ-MRXNPFEDSA-N	0	3	316.405	2.629	20	30		DFEDHN
N#CCCCCN1CC[C@@H](Oc2cncc(Br)c2)C1	ZINC000602884190	399615996	/nfs/dbraw/zinc/61/59/96/399615996.db2.gz	VXGQQNRHFVCKOW-CYBMUJFWSA-N	0	3	324.222	2.991	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCCc2cccc3cccnc32)C1	ZINC000625701782	399616863	/nfs/dbraw/zinc/61/68/63/399616863.db2.gz	AYSDNTAWSZLNFA-INIZCTEOSA-N	0	3	323.440	2.792	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1	ZINC000625702536	399617429	/nfs/dbraw/zinc/61/74/29/399617429.db2.gz	GWLALXWAOKZDAJ-AWEZNQCLSA-N	0	3	324.371	2.802	20	30		DFEDHN
C=CCC[C@H](CC)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261291	399619056	/nfs/dbraw/zinc/61/90/56/399619056.db2.gz	NSJHIQYCMKQZDY-ZDUSSCGKSA-N	0	3	304.390	2.731	20	30		DFEDHN
C[C@H](NCCn1cc(Br)cn1)c1ccc(C#N)cc1	ZINC000271611637	209058314	/nfs/dbraw/zinc/05/83/14/209058314.db2.gz	BBIPIZHZHIIVFH-NSHDSACASA-N	0	3	319.206	2.868	20	30		DFEDHN
N#CCSCCCN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602909179	399623004	/nfs/dbraw/zinc/62/30/04/399623004.db2.gz	HXVPLUUEGZRZKH-UHFFFAOYSA-N	0	3	300.431	2.780	20	30		DFEDHN
COc1cc(CN(CCN(C)C)Cc2ccco2)ccc1C#N	ZINC000289504501	221025764	/nfs/dbraw/zinc/02/57/64/221025764.db2.gz	TYNXVDMJBDAFAK-UHFFFAOYSA-N	0	3	313.401	2.724	20	30		DFEDHN
COC[C@@](C)(CO)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000602931668	399632051	/nfs/dbraw/zinc/63/20/51/399632051.db2.gz	IOZWPCPYKJGURK-LJQANCHMSA-N	0	3	310.397	2.712	20	30		DFEDHN
Cn1cc(CNC[C@]2(C)OCCc3sccc32)cc1C#N	ZINC000289809904	221240993	/nfs/dbraw/zinc/24/09/93/221240993.db2.gz	MWHIGQSRILYJFA-INIZCTEOSA-N	0	3	301.415	2.536	20	30		DFEDHN
C#C[C@H](NCc1c[nH]nc1-c1ccc2c(c1)OCCO2)C(C)C	ZINC000289335151	335057965	/nfs/dbraw/zinc/05/79/65/335057965.db2.gz	HEHYBCUEZMSRPT-HNNXBMFYSA-N	0	3	311.385	2.595	20	30		DFEDHN
CC[C@]1(CNCc2cc(C#N)n(C)c2)OCCc2ccccc21	ZINC000290016066	221382416	/nfs/dbraw/zinc/38/24/16/221382416.db2.gz	ZEKXAGOODOIBPF-LJQANCHMSA-N	0	3	309.413	2.865	20	30		DFEDHN
CC(C)(C#N)CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000602965348	399641579	/nfs/dbraw/zinc/64/15/79/399641579.db2.gz	COELWKSXVZMIQG-MRXNPFEDSA-N	0	3	305.378	2.722	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21	ZINC000602997135	399654377	/nfs/dbraw/zinc/65/43/77/399654377.db2.gz	CYTSPQPWMUVPBV-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN(C2CC2)C2CC2)c(OC)c1	ZINC000625833378	399659337	/nfs/dbraw/zinc/65/93/37/399659337.db2.gz	BQPDRCKRNXXYHC-QGZVFWFLSA-N	0	3	317.429	2.790	20	30		DFEDHN
C[C@@]1(C2CCCCC2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000603030954	399661563	/nfs/dbraw/zinc/66/15/63/399661563.db2.gz	YQFKEENCQQMQOS-SFHVURJKSA-N	0	3	316.449	2.687	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@]1(C)C1CCCCC1)C1CC1	ZINC000603029154	399661663	/nfs/dbraw/zinc/66/16/63/399661663.db2.gz	KEOUUCYRUHEWEU-QZTJIDSGSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1cccs1	ZINC000612494226	399663363	/nfs/dbraw/zinc/66/33/63/399663363.db2.gz	BJKSSSGVZWIQPM-DZGCQCFKSA-N	0	3	316.426	2.905	20	30		DFEDHN
CC(C)(C#N)CNC1CCN(CCc2ccc(F)cc2)CC1	ZINC000612585466	399681740	/nfs/dbraw/zinc/68/17/40/399681740.db2.gz	FQKVXHNZZNHKJX-UHFFFAOYSA-N	0	3	303.425	2.972	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000612597779	399685307	/nfs/dbraw/zinc/68/53/07/399685307.db2.gz	DVEDRNBHHAQQMI-HZPDHXFCSA-N	0	3	317.820	2.910	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000612597778	399685518	/nfs/dbraw/zinc/68/55/18/399685518.db2.gz	DVEDRNBHHAQQMI-HOTGVXAUSA-N	0	3	317.820	2.910	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000612604731	399686974	/nfs/dbraw/zinc/68/69/74/399686974.db2.gz	BXUQCAHSDUOCQW-AWEZNQCLSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC(C)(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1	ZINC000603226957	399716181	/nfs/dbraw/zinc/71/61/81/399716181.db2.gz	ODMOYZUNWGKCAA-AWEZNQCLSA-N	0	3	303.797	2.897	20	30		DFEDHN
Cc1cc(Cn2cc(CCN3CCCCC3)nn2)ccc1C#N	ZINC000603233819	399718342	/nfs/dbraw/zinc/71/83/42/399718342.db2.gz	BVYXAKOOKXUJMQ-UHFFFAOYSA-N	0	3	309.417	2.535	20	30		DFEDHN
CC[C@@](C)(N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603249915	399723646	/nfs/dbraw/zinc/72/36/46/399723646.db2.gz	HTKNQLMBKQOCLT-CQSZACIVSA-N	0	3	323.322	2.801	20	30		DFEDHN
C=CC[C@H]1N(C(=O)c2cnn(CCN(C)C)c2)CCCC1(C)C	ZINC000632771575	399735947	/nfs/dbraw/zinc/73/59/47/399735947.db2.gz	PVRZJXTYFHKIEA-MRXNPFEDSA-N	0	3	318.465	2.652	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(C#N)cc2F)CCN1CCOC	ZINC000121686205	195329877	/nfs/dbraw/zinc/32/98/77/195329877.db2.gz	AFDAUPRCARSPJN-QGZVFWFLSA-N	0	3	319.424	2.630	20	30		DFEDHN
N#Cc1cnc(NCC2(N3CCSCC3)CCCCC2)cn1	ZINC000124481909	195646313	/nfs/dbraw/zinc/64/63/13/195646313.db2.gz	LRQXWOVJNXBQJW-UHFFFAOYSA-N	0	3	317.462	2.512	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000318417888	533269164	/nfs/dbraw/zinc/26/91/64/533269164.db2.gz	JXFUATBEHCJVLZ-BRWVUGGUSA-N	0	3	300.402	2.692	20	30		DFEDHN
C[C@H](Nc1cc(C#N)c(Br)cn1)C1=CCN(C)CC1	ZINC000603332242	399746632	/nfs/dbraw/zinc/74/66/32/399746632.db2.gz	LFCIJAVOITWQLE-JTQLQIEISA-N	0	3	321.222	2.778	20	30		DFEDHN
Cc1cc(C#N)cc(N(C)CCCN(C)Cc2ccncc2)n1	ZINC000603400896	399765951	/nfs/dbraw/zinc/76/59/51/399765951.db2.gz	NLJYGZGIHZFKRB-UHFFFAOYSA-N	0	3	309.417	2.615	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2CCC(OC(C)C)CC2)CC1	ZINC000179033811	542779505	/nfs/dbraw/zinc/77/95/05/542779505.db2.gz	FENVPPQTWQVSEQ-UHFFFAOYSA-N	0	3	323.481	2.672	20	30		DFEDHN
Cc1ccc(CCCNCc2cnc3c(C#N)cnn3c2)c(C)c1	ZINC000603892955	399814349	/nfs/dbraw/zinc/81/43/49/399814349.db2.gz	KWYQEQMVTONCSS-UHFFFAOYSA-N	0	3	319.412	2.940	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2csc(C)c2C)CC1	ZINC000633040468	399829093	/nfs/dbraw/zinc/82/90/93/399829093.db2.gz	IUBMJKAFSXVZDK-UHFFFAOYSA-N	0	3	307.463	2.815	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H]([C@@H](C)O)C2)ccc1OC	ZINC000272492141	542968172	/nfs/dbraw/zinc/96/81/72/542968172.db2.gz	DXSCWEYPZONLLL-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000293009902	543018085	/nfs/dbraw/zinc/01/80/85/543018085.db2.gz	DNRVPZNQFPVANT-UHFFFAOYSA-N	0	3	315.442	2.782	20	30		DFEDHN
CC(C)C[C@@H]1CCCN1CC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000329560579	543105837	/nfs/dbraw/zinc/10/58/37/543105837.db2.gz	RFOATGMYQDUNNA-CVEARBPZSA-N	0	3	323.481	2.854	20	30		DFEDHN
C=C(C)CCc1noc([C@@H]2CCO[C@H]2C2CCN(C)CC2)n1	ZINC000347201910	543181400	/nfs/dbraw/zinc/18/14/00/543181400.db2.gz	BCUZOQCYHVOBRW-ZBFHGGJFSA-N	0	3	305.422	2.793	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(C(=O)c3ccccc3)CC2)o1	ZINC000174251156	145372912	/nfs/dbraw/zinc/37/29/12/145372912.db2.gz	SEBPBCQINJTTLK-UHFFFAOYSA-N	0	3	309.369	2.546	20	30		DFEDHN
C=CC[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1	ZINC000628486861	400036392	/nfs/dbraw/zinc/03/63/92/400036392.db2.gz	RXHODALJYIHNTL-AEFFLSMTSA-N	0	3	313.445	2.718	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1c(OC)cc(F)cc1OC	ZINC000631125520	399985409	/nfs/dbraw/zinc/98/54/09/399985409.db2.gz	FVBFHGOXASZFLD-SJKOYZFVSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=C(C)COc1cc(CNCC[C@@H](O)C(F)F)ccc1OC	ZINC000631216036	400005590	/nfs/dbraw/zinc/00/55/90/400005590.db2.gz	DMNIDMSTCXODAK-CYBMUJFWSA-N	0	3	315.360	2.756	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(F)c(Br)c1	ZINC000424089650	543342330	/nfs/dbraw/zinc/34/23/30/543342330.db2.gz	WFBCEVQEQFALTC-NSHDSACASA-N	0	3	314.158	2.548	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCS[C@@H]3CCCC[C@H]32)cc1	ZINC000246081431	146119295	/nfs/dbraw/zinc/11/92/95/146119295.db2.gz	TYMGDAVIRUJZID-BRWVUGGUSA-N	0	3	302.443	2.952	20	30		DFEDHN
C#CCN1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1	ZINC000491674531	543407607	/nfs/dbraw/zinc/40/76/07/543407607.db2.gz	KLTZCXASRNJKAR-DZGCQCFKSA-N	0	3	308.219	2.828	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccnc(C#N)c2)C1	ZINC000355048176	147219921	/nfs/dbraw/zinc/21/99/21/147219921.db2.gz	YFPCXWLRLTXAIH-WMLDXEAASA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(C#N)c[nH]1)N(C)C	ZINC000357857027	148152293	/nfs/dbraw/zinc/15/22/93/148152293.db2.gz	GAWQIGQXIVMQQQ-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F	ZINC000358561651	148387032	/nfs/dbraw/zinc/38/70/32/148387032.db2.gz	GQQBPODLZTVYTP-SNVBAGLBSA-N	0	3	303.303	2.842	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(CC2CCCC2)C1	ZINC000361176439	149047339	/nfs/dbraw/zinc/04/73/39/149047339.db2.gz	CTAZBVNKOFVRAG-AWEZNQCLSA-N	0	3	315.377	2.538	20	30		DFEDHN
C[C@H](N[C@H]1COC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000361349700	149093481	/nfs/dbraw/zinc/09/34/81/149093481.db2.gz	XGENSSFNPLOHIC-FASAQXTFSA-N	0	3	308.381	2.636	20	30		DFEDHN
CCN(Cc1cc(C#N)n(C)c1)[C@@H](COC)Cc1ccccc1	ZINC000361575930	149154825	/nfs/dbraw/zinc/15/48/25/149154825.db2.gz	DRLRKFFLNKDFLS-LJQANCHMSA-N	0	3	311.429	2.976	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1cccc(C#N)c1	ZINC000362032663	149280149	/nfs/dbraw/zinc/28/01/49/149280149.db2.gz	OYWVSPDKIMMONJ-KBXCAEBGSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(c3ccccn3)CC2)cc1	ZINC000362756361	149360255	/nfs/dbraw/zinc/36/02/55/149360255.db2.gz	BPZJOIVBXSKEOC-IBGZPJMESA-N	0	3	307.397	2.866	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnnc(-c3ccccc3)c2)CC1	ZINC000290198920	335069847	/nfs/dbraw/zinc/06/98/47/335069847.db2.gz	HQSNOCMRAZLDSX-UHFFFAOYSA-N	0	3	322.412	2.524	20	30		DFEDHN
CC1CCN(CCN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000371293017	150017786	/nfs/dbraw/zinc/01/77/86/150017786.db2.gz	TXIITSBNMATDBM-LJQANCHMSA-N	0	3	313.445	2.663	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@H](O)c3ccccc3C2)cc1	ZINC000371829141	150101289	/nfs/dbraw/zinc/10/12/89/150101289.db2.gz	QPNQKEFHHZWZBT-RBUKOAKNSA-N	0	3	308.381	2.531	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC(Cc3ccc(F)cc3)C2)cc1	ZINC000372377152	150169366	/nfs/dbraw/zinc/16/93/66/150169366.db2.gz	QUQVIMSATMPKNN-LJQANCHMSA-N	0	3	310.372	2.905	20	30		DFEDHN
COc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)cc1C#N	ZINC000372772139	150182942	/nfs/dbraw/zinc/18/29/42/150182942.db2.gz	JHEGQEUNAQENMS-UZLBHIALSA-N	0	3	322.408	2.952	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](c2nccn2C)C1	ZINC000373106461	150232101	/nfs/dbraw/zinc/23/21/01/150232101.db2.gz	JFNNGRAWVSEHFO-MRXNPFEDSA-N	0	3	310.401	2.680	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](O)c2ccccc2C1	ZINC000373120690	150234409	/nfs/dbraw/zinc/23/44/09/150234409.db2.gz	ABFPGBWDFWGYQH-SFHVURJKSA-N	0	3	308.381	2.876	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC[C@]2(CCCCO2)C1	ZINC000373181882	150243436	/nfs/dbraw/zinc/24/34/36/150243436.db2.gz	XBWSOMOSXSBINF-GOSISDBHSA-N	0	3	300.402	2.972	20	30		DFEDHN
COc1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)ccc1C#N	ZINC000374147628	150312415	/nfs/dbraw/zinc/31/24/15/150312415.db2.gz	IXZQXBGIZPAIEE-FXAWDEMLSA-N	0	3	322.408	2.952	20	30		DFEDHN
N#Cc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1	ZINC000428547177	296704711	/nfs/dbraw/zinc/70/47/11/296704711.db2.gz	NBSSDVRDPDSTFX-RTBURBONSA-N	0	3	310.372	2.953	20	30		DFEDHN
C[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1n1ccnc1	ZINC000247740699	158149993	/nfs/dbraw/zinc/14/99/93/158149993.db2.gz	VYVAYGXHHDRVIP-MAUKXSAKSA-N	0	3	310.401	2.717	20	30		DFEDHN
CCN1CCC(N(C(=O)c2cc(C#N)oc2C)C2CC2)CC1	ZINC000373734139	158771677	/nfs/dbraw/zinc/77/16/77/158771677.db2.gz	AUIWMDCDFQPORG-UHFFFAOYSA-N	0	3	301.390	2.549	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000131810376	196200995	/nfs/dbraw/zinc/20/09/95/196200995.db2.gz	CGEGKCJKRGXWHB-LJQANCHMSA-N	0	3	323.396	2.875	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H]3COC[C@@H]3C2)cc(OC)c1O	ZINC000668706455	543850301	/nfs/dbraw/zinc/85/03/01/543850301.db2.gz	SLNFUFAAKBAKRB-CVEARBPZSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@@H](CN2CCCC2=O)C1	ZINC000668717159	543853549	/nfs/dbraw/zinc/85/35/49/543853549.db2.gz	QVHQXNWHKOCHAN-MRXNPFEDSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H]([C@H]3CNC(=O)C3)C2)c1	ZINC000671443535	544072635	/nfs/dbraw/zinc/07/26/35/544072635.db2.gz	UPLURYNRPWMXJR-IAGOWNOFSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCN(C)C2CC2)cc1OC	ZINC000290409784	335073465	/nfs/dbraw/zinc/07/34/65/335073465.db2.gz	JZNRWBZIYHRWPC-UHFFFAOYSA-N	0	3	304.434	2.786	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000290950488	335077636	/nfs/dbraw/zinc/07/76/36/335077636.db2.gz	BCIXRLUSMSMOAF-PZJWPPBQSA-N	0	3	318.420	2.772	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000290950487	335077755	/nfs/dbraw/zinc/07/77/55/335077755.db2.gz	BCIXRLUSMSMOAF-FPOVZHCZSA-N	0	3	318.420	2.772	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC2(F)F)CC1	ZINC000672839003	544156494	/nfs/dbraw/zinc/15/64/94/544156494.db2.gz	HHGFSODDPSYINZ-CYBMUJFWSA-N	0	3	301.381	2.514	20	30		DFEDHN
C=C(CNC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1	ZINC000673195109	544171995	/nfs/dbraw/zinc/17/19/95/544171995.db2.gz	KFFNKFQXZGSDCW-UHFFFAOYSA-N	0	3	322.412	2.627	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1	ZINC000290899943	222005567	/nfs/dbraw/zinc/00/55/67/222005567.db2.gz	MACVRMXJDVNLDP-KRWDZBQOSA-N	0	3	318.396	2.751	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NC1CCN(C)CC1)c1ccc(F)c(F)c1	ZINC000184596524	335079733	/nfs/dbraw/zinc/07/97/33/335079733.db2.gz	VDKIVBBWSXGORA-MRXNPFEDSA-N	0	3	323.387	2.975	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc3sccc3c2)CC1	ZINC000291233348	335079848	/nfs/dbraw/zinc/07/98/48/335079848.db2.gz	NSMRVEJLGQKMEK-UHFFFAOYSA-N	0	3	312.438	2.863	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(Cl)c(C)c2)CC1	ZINC000184699384	335083458	/nfs/dbraw/zinc/08/34/58/335083458.db2.gz	GDYWWENBBANVLE-UHFFFAOYSA-N	0	3	304.821	2.610	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(CC)C[C@H]1C	ZINC000674793235	544260368	/nfs/dbraw/zinc/26/03/68/544260368.db2.gz	VCJSWHIXIICZAN-HIFRSBDPSA-N	0	3	307.463	2.786	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CN(CC)C[C@@H]1C	ZINC000674889522	544274892	/nfs/dbraw/zinc/27/48/92/544274892.db2.gz	QXRIZQAGKAAASA-WMLDXEAASA-N	0	3	319.424	2.864	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000677048191	544425334	/nfs/dbraw/zinc/42/53/34/544425334.db2.gz	PIVXNGOADLBUTE-HZPDHXFCSA-N	0	3	300.450	2.986	20	30		DFEDHN
COCC#CCN1CCN(Cc2cccc3ccccc32)CC1	ZINC000677133485	544439488	/nfs/dbraw/zinc/43/94/88/544439488.db2.gz	YMLCXFWHRIOFNS-UHFFFAOYSA-N	0	3	308.425	2.607	20	30		DFEDHN
C=CCN(CC(=O)N1CCOC[C@@H]1C1CC1)CC1CCCCC1	ZINC000677985007	544576637	/nfs/dbraw/zinc/57/66/37/544576637.db2.gz	PXYRQPGYUPNCDU-GOSISDBHSA-N	0	3	320.477	2.692	20	30		DFEDHN
Cn1cc(C2CCN(CCOc3cccc(C#N)c3)CC2)cn1	ZINC000299564677	229215746	/nfs/dbraw/zinc/21/57/46/229215746.db2.gz	FWZBTWXPSJCFLZ-UHFFFAOYSA-N	0	3	310.401	2.550	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccnc(C)c2Cl)CC1	ZINC000680365822	544998912	/nfs/dbraw/zinc/99/89/12/544998912.db2.gz	DRFFSQASVITIIG-UHFFFAOYSA-N	0	3	322.840	2.627	20	30		DFEDHN
N#Cc1ccc(N2CCN(CCCc3ccccc3)CC2)nc1	ZINC000060481052	425898758	/nfs/dbraw/zinc/89/87/58/425898758.db2.gz	LUCRQDLSSKVKEM-UHFFFAOYSA-N	0	3	306.413	2.708	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@H](C)S1	ZINC000532969251	269892095	/nfs/dbraw/zinc/89/20/95/269892095.db2.gz	OJXWZIZHHCTUCT-QWRGUYRKSA-N	0	3	309.460	2.774	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412339544	269894651	/nfs/dbraw/zinc/89/46/51/269894651.db2.gz	PSJKANBITNXMJW-UDTPNQRGSA-N	0	3	323.440	2.747	20	30		DFEDHN
COc1cc(OC)cc(OCCNCc2cc(C#N)cs2)c1	ZINC000124490730	425921662	/nfs/dbraw/zinc/92/16/62/425921662.db2.gz	VNRLGFVUTQCUBA-UHFFFAOYSA-N	0	3	318.398	2.806	20	30		DFEDHN
C#CCNC(=O)[C@H](C)Nc1cccc2c1CN(CCC(C)C)C2	ZINC000102778796	425928703	/nfs/dbraw/zinc/92/87/03/425928703.db2.gz	GLLAJAKJKUXXAV-HNNXBMFYSA-N	0	3	313.445	2.598	20	30		DFEDHN
CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc(C#N)cc1	ZINC000417724780	270000349	/nfs/dbraw/zinc/00/03/49/270000349.db2.gz	ODMXASGGJWVAER-SFHVURJKSA-N	0	3	322.412	2.620	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285538681	265585753	/nfs/dbraw/zinc/58/57/53/265585753.db2.gz	QIBPNXCIAPYDHK-OAHLLOKOSA-N	0	3	318.392	2.868	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000352268994	266146108	/nfs/dbraw/zinc/14/61/08/266146108.db2.gz	FXHVJYLLHVHQPF-MRXNPFEDSA-N	0	3	317.408	2.575	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc(C#N)c1	ZINC000360349345	266157137	/nfs/dbraw/zinc/15/71/37/266157137.db2.gz	ZCAOMIRHDLNYCK-QGTPRVQTSA-N	0	3	311.429	2.747	20	30		DFEDHN
CCN1C[C@H](C)N(c2ccc(C(F)(F)F)c(C#N)n2)C[C@@H]1C	ZINC000337005903	266159743	/nfs/dbraw/zinc/15/97/43/266159743.db2.gz	AUCGEABCYDLROS-QWRGUYRKSA-N	0	3	312.339	2.891	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000412408960	266919647	/nfs/dbraw/zinc/91/96/47/266919647.db2.gz	KARRWLDVCGNCIJ-FGTMMUONSA-N	0	3	311.429	2.603	20	30		DFEDHN
C[C@@H](O)CCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000353025488	266981895	/nfs/dbraw/zinc/98/18/95/266981895.db2.gz	RSCOWGJMOPHZAN-CYBMUJFWSA-N	0	3	306.381	2.702	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cnccc2C#N)C1	ZINC000345176839	267003974	/nfs/dbraw/zinc/00/39/74/267003974.db2.gz	WFLSQPTXNRLUOS-YOEHRIQHSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCc1ccc(C#N)cc1	ZINC000341040796	267017884	/nfs/dbraw/zinc/01/78/84/267017884.db2.gz	OSFYFTUQNOYXRP-IYBDPMFKSA-N	0	3	313.445	2.870	20	30		DFEDHN
C[C@@H]1CCSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280148190	267025913	/nfs/dbraw/zinc/02/59/13/267025913.db2.gz	WFSYOHPAIHRHHH-CJNGLKHVSA-N	0	3	313.426	2.595	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)n1C	ZINC000448888413	267069143	/nfs/dbraw/zinc/06/91/43/267069143.db2.gz	ZYFMAFIDYFBNKY-UHFFFAOYSA-N	0	3	324.428	2.621	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C	ZINC000280640147	267103691	/nfs/dbraw/zinc/10/36/91/267103691.db2.gz	ZKSHKMZHEORAOV-HEHGZKQESA-N	0	3	313.426	2.593	20	30		DFEDHN
CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2ccccc2C#N)C1	ZINC000495563775	267123761	/nfs/dbraw/zinc/12/37/61/267123761.db2.gz	IBZZXUIJIDOANA-PBHICJAKSA-N	0	3	315.417	2.905	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)[C@@]12CCCO2	ZINC000453386031	267152116	/nfs/dbraw/zinc/15/21/16/267152116.db2.gz	OQWFGDLNHFSIQR-BBWFWOEESA-N	0	3	304.365	2.514	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000351414450	267160787	/nfs/dbraw/zinc/16/07/87/267160787.db2.gz	NMYYWHMRZFWMAO-ZWNOBZJWSA-N	0	3	309.291	2.555	20	30		DFEDHN
C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)c(F)c1	ZINC000404611349	267161060	/nfs/dbraw/zinc/16/10/60/267161060.db2.gz	PTKBDYXWYJVXAK-LLVKDONJSA-N	0	3	307.369	2.700	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000351414449	267161337	/nfs/dbraw/zinc/16/13/37/267161337.db2.gz	NMYYWHMRZFWMAO-MFKMUULPSA-N	0	3	309.291	2.555	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N(C)CCN1CCCC1	ZINC000437832186	267165779	/nfs/dbraw/zinc/16/57/79/267165779.db2.gz	FGYFOENUMZHILJ-UHFFFAOYSA-N	0	3	316.405	2.516	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000350785868	267175032	/nfs/dbraw/zinc/17/50/32/267175032.db2.gz	XTBQTWWBCGXDJL-SWLSCSKDSA-N	0	3	322.343	2.652	20	30		DFEDHN
CC[C@@H](C(=O)Nc1ccc(COC)c(C#N)c1)N(CC)CC	ZINC000529816774	267183264	/nfs/dbraw/zinc/18/32/64/267183264.db2.gz	PGIVNCKCTNJCBJ-INIZCTEOSA-N	0	3	303.406	2.764	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)[nH]c1C)c1ccco1	ZINC000451678863	267186203	/nfs/dbraw/zinc/18/62/03/267186203.db2.gz	XMMSXOQOYPGXQZ-ABAIWWIYSA-N	0	3	314.389	2.647	20	30		DFEDHN
CC[C@@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccc(C#N)cc1	ZINC000447518503	267193411	/nfs/dbraw/zinc/19/34/11/267193411.db2.gz	WIFSKTFTHKDOSM-RBUKOAKNSA-N	0	3	315.461	2.956	20	30		DFEDHN
CC[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCOCC1	ZINC000459408677	267222160	/nfs/dbraw/zinc/22/21/60/267222160.db2.gz	XRSLGKWWAQGPPU-HNNXBMFYSA-N	0	3	303.362	2.761	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1ncc(C#N)cc1Cl	ZINC000428021456	267225655	/nfs/dbraw/zinc/22/56/55/267225655.db2.gz	IMDAAJWRBYFHFB-ZDUSSCGKSA-N	0	3	320.824	2.601	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(C#N)s2)CCN(C2CCC2)C1	ZINC000344685022	267225736	/nfs/dbraw/zinc/22/57/36/267225736.db2.gz	BIMICKJQWPAHKT-GFCCVEGCSA-N	0	3	303.431	2.566	20	30		DFEDHN
CC[C@H]1CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000518365331	267227750	/nfs/dbraw/zinc/22/77/50/267227750.db2.gz	HXTGNUZGDBCYDK-JKSUJKDBSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)nc1	ZINC000301543910	267235218	/nfs/dbraw/zinc/23/52/18/267235218.db2.gz	WEOKQCRUCBNSKJ-KBXCAEBGSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCn1cc([C@H]2OCCC[C@@H]2NCc2cccc(C#N)c2)cn1	ZINC000433942575	267253455	/nfs/dbraw/zinc/25/34/55/267253455.db2.gz	VXKIAGBVLCGQCK-ZWKOTPCHSA-N	0	3	310.401	2.785	20	30		DFEDHN
C[C@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCS1	ZINC000280158633	267260898	/nfs/dbraw/zinc/26/08/98/267260898.db2.gz	RXTAYRRPXIRPQH-DOTOQJQBSA-N	0	3	313.426	2.642	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1	ZINC000432588135	267284066	/nfs/dbraw/zinc/28/40/66/267284066.db2.gz	NVGDYUFLBGZSQE-UHFFFAOYSA-N	0	3	314.776	2.921	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000346239159	267307250	/nfs/dbraw/zinc/30/72/50/267307250.db2.gz	OUIHBINSEBKHOW-DDUZABMNSA-N	0	3	311.429	2.669	20	30		DFEDHN
CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@]1(CO)CCOC1	ZINC000411508798	267311860	/nfs/dbraw/zinc/31/18/60/267311860.db2.gz	SRFFZKJCMIMNOP-FQEVSTJZSA-N	0	3	322.408	2.808	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)/C=C\c2ccc(C#N)cc2)CC1	ZINC000492285488	267333235	/nfs/dbraw/zinc/33/32/35/267333235.db2.gz	YFWNNKCRHQDWII-FPLPWBNLSA-N	0	3	309.413	2.658	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(F)cc1C#N	ZINC000448017340	267333805	/nfs/dbraw/zinc/33/38/05/267333805.db2.gz	YQQLBMKCLXMTNK-OAHLLOKOSA-N	0	3	318.396	2.939	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)/C=C\c3cccc(C#N)c3)C2)C1	ZINC000492969910	267337761	/nfs/dbraw/zinc/33/77/61/267337761.db2.gz	CHJADNJAJHIUMV-RURPWVQCSA-N	0	3	309.413	2.516	20	30		DFEDHN
CN1CCC[C@H](CNc2cncc(C#N)n2)[C@H]1c1cccs1	ZINC000420606646	267338081	/nfs/dbraw/zinc/33/80/81/267338081.db2.gz	XWPNKVBEOZIWGB-WBMJQRKESA-N	0	3	313.430	2.905	20	30		DFEDHN
COC(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000496325383	267374616	/nfs/dbraw/zinc/37/46/16/267374616.db2.gz	LDGSAKJNTAIVCT-NSHDSACASA-N	0	3	305.353	2.579	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2cccc(C#N)c2F)CC1	ZINC000492200299	267376223	/nfs/dbraw/zinc/37/62/23/267376223.db2.gz	GHQHTZRSMDEBNP-LBPRGKRZSA-N	0	3	319.380	2.654	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2OC)[C@H]1C(C)C	ZINC000429362361	267384398	/nfs/dbraw/zinc/38/43/98/267384398.db2.gz	MXENKWDWHKNPJR-RDJZCZTQSA-N	0	3	316.401	2.586	20	30		DFEDHN
Cc1ccc([C@H](C)NCC(=O)NCc2cccc(C#N)c2)cc1	ZINC000341224234	267444522	/nfs/dbraw/zinc/44/45/22/267444522.db2.gz	XBHJLDLYQCSJFU-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
COCc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1C#N	ZINC000529817412	267504014	/nfs/dbraw/zinc/50/40/14/267504014.db2.gz	MHYAMCVLPDUXOS-KRWDZBQOSA-N	0	3	313.401	2.518	20	30		DFEDHN
Cc1cc(NC[C@]2(N(C)C)CCSC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413167509	268011796	/nfs/dbraw/zinc/01/17/96/268011796.db2.gz	HZBGUUJURMOKHG-OAHLLOKOSA-N	0	3	320.418	2.624	20	30		DFEDHN
CCC[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000047011024	425867667	/nfs/dbraw/zinc/86/76/67/425867667.db2.gz	VMEHGUGKUDIFTG-HNNXBMFYSA-N	0	3	301.434	2.885	20	30		DFEDHN
Cc1ccncc1CN(C)CCC(=O)Nc1ccccc1C#N	ZINC000411662767	268065957	/nfs/dbraw/zinc/06/59/57/268065957.db2.gz	GKIWSOYMDIMVRJ-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)o1	ZINC000189619036	268073883	/nfs/dbraw/zinc/07/38/83/268073883.db2.gz	YMIFZLNDIGSMJI-MFKMUULPSA-N	0	3	302.296	2.724	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)C2CCCC2)c(OC(F)F)c1	ZINC000352706831	268075598	/nfs/dbraw/zinc/07/55/98/268075598.db2.gz	OVTVUXOMKHYZNA-AWEZNQCLSA-N	0	3	310.344	2.800	20	30		DFEDHN
N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)cc1	ZINC000344322086	268076311	/nfs/dbraw/zinc/07/63/11/268076311.db2.gz	XJEVSDVOYYEVMC-SJORKVTESA-N	0	3	316.351	2.885	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC[C@@H]2C(F)F)cc1	ZINC000330403968	268083359	/nfs/dbraw/zinc/08/33/59/268083359.db2.gz	MKJMWLYPWYYJGI-LSDHHAIUSA-N	0	3	317.339	2.887	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1	ZINC000332312025	268089826	/nfs/dbraw/zinc/08/98/26/268089826.db2.gz	MVYMTBAEXWRILI-KZNAEPCWSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCC(F)(F)C2)cc1	ZINC000280790636	268090669	/nfs/dbraw/zinc/09/06/69/268090669.db2.gz	TVTGQBLKCUYETM-LSDHHAIUSA-N	0	3	317.339	2.792	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC(F)(F)C2)cc1	ZINC000280790633	268091137	/nfs/dbraw/zinc/09/11/37/268091137.db2.gz	TVTGQBLKCUYETM-HUUCEWRRSA-N	0	3	317.339	2.792	20	30		DFEDHN
CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)cc2)C1	ZINC000194856212	268119192	/nfs/dbraw/zinc/11/91/92/268119192.db2.gz	DJPURZNHEGLVOC-GOSISDBHSA-N	0	3	300.402	2.969	20	30		DFEDHN
Cn1cc(CN2CCC3(CC2)OCCc2ccccc23)cc1C#N	ZINC000453578723	268127257	/nfs/dbraw/zinc/12/72/57/268127257.db2.gz	QFIJCYOKZZDZOL-UHFFFAOYSA-N	0	3	321.424	2.961	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCCC(=O)NCc1ccccc1)CC2	ZINC000353381166	268223637	/nfs/dbraw/zinc/22/36/37/268223637.db2.gz	DMCNRTRQIHWIFW-LJQANCHMSA-N	0	3	319.408	2.842	20	30		DFEDHN
N#Cc1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(Cl)c1	ZINC000451311244	268223800	/nfs/dbraw/zinc/22/38/00/268223800.db2.gz	YNCHQAHNTNARBC-UXLLHSPISA-N	0	3	320.820	2.573	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@H]3OC(F)F)n2c1	ZINC000342845312	268225170	/nfs/dbraw/zinc/22/51/70/268225170.db2.gz	IKPFPPAFVDRCCP-ZIAGYGMSSA-N	0	3	320.343	2.846	20	30		DFEDHN
N#Cc1ccc(CNCCOCC(F)(F)C(F)F)cc1F	ZINC000421376617	268231675	/nfs/dbraw/zinc/23/16/75/268231675.db2.gz	FBUKNEUJAYOZRV-UHFFFAOYSA-N	0	3	308.250	2.704	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1	ZINC000428532860	268233320	/nfs/dbraw/zinc/23/33/20/268233320.db2.gz	GATZXDWPWAZHQD-MOPGFXCFSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1F	ZINC000421359483	268233888	/nfs/dbraw/zinc/23/38/88/268233888.db2.gz	WXWBSZRYJCGPSY-IEBWSBKVSA-N	0	3	310.372	2.953	20	30		DFEDHN
Cc1ccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000271679916	268250220	/nfs/dbraw/zinc/25/02/20/268250220.db2.gz	OWFVPVHBNTWVAZ-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
CC[C@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1c(F)cccc1F	ZINC000276592514	268262422	/nfs/dbraw/zinc/26/24/22/268262422.db2.gz	DVWMZHOLOHNDPJ-RDJZCZTQSA-N	0	3	319.355	2.777	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC(c3cn[nH]c3)CC2)c1	ZINC000360036963	268272451	/nfs/dbraw/zinc/27/24/51/268272451.db2.gz	BHNKFHNASWERJP-UHFFFAOYSA-N	0	3	310.401	2.930	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@H](CO)c2ccsc2)c1	ZINC000352030821	268273423	/nfs/dbraw/zinc/27/34/23/268273423.db2.gz	BIQOOFZOPGANGK-MRXNPFEDSA-N	0	3	302.399	2.712	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCCCC[C@H]21	ZINC000528402732	268302214	/nfs/dbraw/zinc/30/22/14/268302214.db2.gz	IALVESROQWMXPM-GVDBMIGSSA-N	0	3	300.402	2.562	20	30		DFEDHN
C[C@@H]1CCCC[C@@]1(C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000308689379	268335473	/nfs/dbraw/zinc/33/54/73/268335473.db2.gz	DIACNHYPZSQHTK-RHSMWYFYSA-N	0	3	320.458	2.890	20	30		DFEDHN
COc1cc(NCCNCc2ccc(C#N)cc2)cc(OC)c1	ZINC000126029649	426001988	/nfs/dbraw/zinc/00/19/88/426001988.db2.gz	HJQCLANGAIRRDC-UHFFFAOYSA-N	0	3	311.385	2.777	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(-n3ccnc3)cc2)CC1	ZINC000106036427	425970348	/nfs/dbraw/zinc/97/03/48/425970348.db2.gz	BMHUFOATYHSQFH-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000126557612	426025679	/nfs/dbraw/zinc/02/56/79/426025679.db2.gz	BIFIJIFRMUQHHY-HOCLYGCPSA-N	0	3	307.401	2.813	20	30		DFEDHN
Cc1noc(C)c1CN[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000109077975	426028205	/nfs/dbraw/zinc/02/82/05/426028205.db2.gz	GFRVMBNFYIBFAP-MRXNPFEDSA-N	0	3	310.401	2.922	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCCN(c3ccccc3)CC2)cc1	ZINC000127228437	426057087	/nfs/dbraw/zinc/05/70/87/426057087.db2.gz	SEBVEKZECLDDMA-FQEVSTJZSA-N	0	3	321.424	2.804	20	30		DFEDHN
CCN(CCCSCC#N)C[C@@H]1COc2ccccc2O1	ZINC000074980728	426059064	/nfs/dbraw/zinc/05/90/64/426059064.db2.gz	XYBJXHDRTRHNKX-CQSZACIVSA-N	0	3	306.431	2.795	20	30		DFEDHN
C#CCCN1CCN(CCCOc2cccc(Cl)c2)CC1	ZINC000127289248	426059126	/nfs/dbraw/zinc/05/91/26/426059126.db2.gz	GYTCRRXFMOEPRC-UHFFFAOYSA-N	0	3	306.837	2.750	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000127463672	426067945	/nfs/dbraw/zinc/06/79/45/426067945.db2.gz	CQALSPGFKOYCNA-OAHLLOKOSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000076084221	426098881	/nfs/dbraw/zinc/09/88/81/426098881.db2.gz	GLWJCZBUJCKUSZ-CQSZACIVSA-N	0	3	300.406	2.749	20	30		DFEDHN
C[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000128145280	426103897	/nfs/dbraw/zinc/10/38/97/426103897.db2.gz	CTWYYLGVLSQMFT-BBRMVZONSA-N	0	3	306.431	2.500	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)c2cccc(F)c2)CC1	ZINC000076449155	426111879	/nfs/dbraw/zinc/11/18/79/426111879.db2.gz	URXBHPDBLVWKDR-UHFFFAOYSA-N	0	3	302.393	2.522	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N(CC)CCC#N	ZINC000128646169	426126795	/nfs/dbraw/zinc/12/67/95/426126795.db2.gz	DKQSAIAGZTVTMR-QGZVFWFLSA-N	0	3	301.434	2.702	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](C)CO[C@H]2CCOC2)cc1	ZINC000166433736	426127672	/nfs/dbraw/zinc/12/76/72/426127672.db2.gz	IHOWBPYSRYABCH-VKJFTORMSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000116947101	426201608	/nfs/dbraw/zinc/20/16/08/426201608.db2.gz	DKNWDIFHXRVWJQ-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000129461908	426140400	/nfs/dbraw/zinc/14/04/00/426140400.db2.gz	WEZMJQUZQZDTJX-GVDBMIGSSA-N	0	3	318.465	2.579	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000114644090	426141063	/nfs/dbraw/zinc/14/10/63/426141063.db2.gz	BTGPXFZBIRSCMW-AEFFLSMTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000115157995	426155778	/nfs/dbraw/zinc/15/57/78/426155778.db2.gz	LTSVWYGLYAAJBF-GOSISDBHSA-N	0	3	316.445	2.514	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000078434356	426169120	/nfs/dbraw/zinc/16/91/20/426169120.db2.gz	AFUTYAOAFSMEBR-GOSISDBHSA-N	0	3	322.412	2.660	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1	ZINC000133427635	426177105	/nfs/dbraw/zinc/17/71/05/426177105.db2.gz	ZHAUHHHWLJHWSQ-ZHALLVOQSA-N	0	3	311.429	2.721	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccncc2)CC1	ZINC000171560439	426195404	/nfs/dbraw/zinc/19/54/04/426195404.db2.gz	ZJPOWYXFPCYQHO-OAHLLOKOSA-N	0	3	316.449	2.825	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n(-c3ccccc3)n2)CC1	ZINC000171718257	426206827	/nfs/dbraw/zinc/20/68/27/426206827.db2.gz	UASFOHNCCRVITK-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1Cc1ccccc1	ZINC000079556151	426197756	/nfs/dbraw/zinc/19/77/56/426197756.db2.gz	MIBULALOQGQHKZ-WMLDXEAASA-N	0	3	322.412	2.669	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(O)cc2)CC1	ZINC000171607257	426198799	/nfs/dbraw/zinc/19/87/99/426198799.db2.gz	FRMHUOLQIUWCHD-UHFFFAOYSA-N	0	3	317.433	2.574	20	30		DFEDHN
CN(CCOc1ccccc1C#N)[C@@H]1CCCc2c1cnn2C	ZINC000135570831	426222666	/nfs/dbraw/zinc/22/26/66/426222666.db2.gz	BMQBOYMFRVJXFD-MRXNPFEDSA-N	0	3	310.401	2.680	20	30		DFEDHN
C=CCNc1ncc(C(=O)NCCN2CCCC[C@H]2CC)s1	ZINC000136279084	426238520	/nfs/dbraw/zinc/23/85/20/426238520.db2.gz	UUDRSTMFIZEMEM-CYBMUJFWSA-N	0	3	322.478	2.735	20	30		DFEDHN
N#Cc1ccc(CNCC2(N3CCSCC3)CCCC2)o1	ZINC000174266927	426252704	/nfs/dbraw/zinc/25/27/04/426252704.db2.gz	QKWMLJINTJNPQG-UHFFFAOYSA-N	0	3	305.447	2.602	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccc(Cl)c(C)c2)CC1	ZINC000171727367	426207830	/nfs/dbraw/zinc/20/78/30/426207830.db2.gz	MCQWVRWLVNPNFE-UHFFFAOYSA-N	0	3	322.836	2.794	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](n2cncn2)C1	ZINC000135189660	426208324	/nfs/dbraw/zinc/20/83/24/426208324.db2.gz	JTMDLTPXXYVPDM-MRXNPFEDSA-N	0	3	309.417	2.916	20	30		DFEDHN
CCC[C@H](C)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135330511	426214228	/nfs/dbraw/zinc/21/42/28/426214228.db2.gz	RFACIVIOACOZHX-HOTGVXAUSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CCC#N)CCC#N	ZINC000120698254	426313623	/nfs/dbraw/zinc/31/36/23/426313623.db2.gz	BJSJQFDUEODUTQ-HZPDHXFCSA-N	0	3	304.438	2.543	20	30		DFEDHN
Cc1ncccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122836591	426397295	/nfs/dbraw/zinc/39/72/95/426397295.db2.gz	CMVWAORIEOZGTR-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC(C2CCOCC2)CC1	ZINC000153679074	426398993	/nfs/dbraw/zinc/39/89/93/426398993.db2.gz	IUZVYMSMVCNEQH-UHFFFAOYSA-N	0	3	308.466	2.550	20	30		DFEDHN
CN(CCC#N)c1ccc(CNC[C@@H](O)c2ccsc2)cc1	ZINC000152542511	426345517	/nfs/dbraw/zinc/34/55/17/426345517.db2.gz	PGYMHCCVMVXRMA-QGZVFWFLSA-N	0	3	315.442	2.921	20	30		DFEDHN
COC(=O)[C@@H](C)CN(C)Cc1cccc(OCCCC#N)c1	ZINC000091985757	426346489	/nfs/dbraw/zinc/34/64/89/426346489.db2.gz	RYUFBMGGNALBTO-AWEZNQCLSA-N	0	3	304.390	2.610	20	30		DFEDHN
CCC[C@H]1CN(CC#Cc2ccc(F)cc2)CCN1CCOC	ZINC000121731716	426352820	/nfs/dbraw/zinc/35/28/20/426352820.db2.gz	DWJGFCKVDUYGHD-IBGZPJMESA-N	0	3	318.436	2.610	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2cccc(O)c2)CC1	ZINC000153028110	426367371	/nfs/dbraw/zinc/36/73/71/426367371.db2.gz	KMWKJAJLVQPGML-VOTSOKGWSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2ccncc2)CC1	ZINC000176497579	426388083	/nfs/dbraw/zinc/38/80/83/426388083.db2.gz	XLEFCBUQTWSLRE-QGZVFWFLSA-N	0	3	316.449	2.872	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(C3CCOCC3)CC2)cc1	ZINC000153509638	426389459	/nfs/dbraw/zinc/38/94/59/426389459.db2.gz	JCEGWVMNBOVVEJ-LJQANCHMSA-N	0	3	314.429	2.730	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1	ZINC000177200705	426453707	/nfs/dbraw/zinc/45/37/07/426453707.db2.gz	LXOBPWXRNTXUKB-UHFFFAOYSA-N	0	3	312.335	2.874	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)c(C)n1	ZINC000177311367	426466499	/nfs/dbraw/zinc/46/64/99/426466499.db2.gz	IGDZEZKBNGZEBX-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
N#CC(C(=O)NC1CCCCC1)c1nccn1CC(F)(F)F	ZINC000155497697	426473825	/nfs/dbraw/zinc/47/38/25/426473825.db2.gz	DKUTYPWOUMACHS-NSHDSACASA-N	0	3	314.311	2.501	20	30		DFEDHN
CC[C@H](CC#N)N[C@H](C)CCCOc1ccccc1C(N)=O	ZINC000124262574	426477207	/nfs/dbraw/zinc/47/72/07/426477207.db2.gz	WFOGXQJODIMXTI-ZIAGYGMSSA-N	0	3	303.406	2.615	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccnc(Cl)c2)CC1	ZINC000124344420	426481145	/nfs/dbraw/zinc/48/11/45/426481145.db2.gz	VKEIXRHTUFZOJO-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
COC(=O)N1CCC([C@H](C)NCc2ccc(F)cc2C#N)CC1	ZINC000186386342	426516622	/nfs/dbraw/zinc/51/66/22/426516622.db2.gz	HVRLTCQSDIAXLN-LBPRGKRZSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(F)c(F)cc(F)c2F)CC1	ZINC000177829546	426526267	/nfs/dbraw/zinc/52/62/67/426526267.db2.gz	MKBDIQUZZTWLRG-UHFFFAOYSA-N	0	3	316.298	2.623	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1	ZINC000272454672	426530369	/nfs/dbraw/zinc/53/03/69/426530369.db2.gz	QCEGZMTXVZPQIN-RHSMWYFYSA-N	0	3	315.417	2.809	20	30		DFEDHN
Cn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F	ZINC000195492661	426531020	/nfs/dbraw/zinc/53/10/20/426531020.db2.gz	DVWNFJHMNQGEFH-VIFPVBQESA-N	0	3	315.283	2.655	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC1CCN(CC)CC1	ZINC000272483960	426538656	/nfs/dbraw/zinc/53/86/56/426538656.db2.gz	RZTAYPWZGGYUOV-UHFFFAOYSA-N	0	3	305.422	2.504	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)[C@@H]2C1	ZINC000272514657	426545076	/nfs/dbraw/zinc/54/50/76/426545076.db2.gz	XLUPJKWDCXUPQZ-IUODEOHRSA-N	0	3	318.808	2.770	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccccc2F)CC1	ZINC000264399510	426547397	/nfs/dbraw/zinc/54/73/97/426547397.db2.gz	PUEWSLJXGACROO-UHFFFAOYSA-N	0	3	319.424	2.708	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccccc2)CC1	ZINC000264426727	426551597	/nfs/dbraw/zinc/55/15/97/426551597.db2.gz	YOICXQDBMOAMFL-UHFFFAOYSA-N	0	3	301.434	2.569	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)cc2)CC1	ZINC000264431275	426551711	/nfs/dbraw/zinc/55/17/11/426551711.db2.gz	ZQBJPLCQKGHOJY-UHFFFAOYSA-N	0	3	317.433	2.535	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)c2ccccc2)CC1	ZINC000264433978	426553629	/nfs/dbraw/zinc/55/36/29/426553629.db2.gz	VFQBXBRMSSKFPV-OAHLLOKOSA-N	0	3	301.434	2.740	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(Cl)c(OC)c2)CC1	ZINC000194894192	426494854	/nfs/dbraw/zinc/49/48/54/426494854.db2.gz	GOZVIOBDYAUYJN-UHFFFAOYSA-N	0	3	306.793	2.632	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000186223560	426495469	/nfs/dbraw/zinc/49/54/69/426495469.db2.gz	XDBUODXQRGBGTO-QGZVFWFLSA-N	0	3	321.428	2.784	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000280115957	426503219	/nfs/dbraw/zinc/50/32/19/426503219.db2.gz	UFMZJBDTSGCYLT-WFASDCNBSA-N	0	3	324.409	2.617	20	30		DFEDHN
C[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1	ZINC000265333295	426621120	/nfs/dbraw/zinc/62/11/20/426621120.db2.gz	NAPZXXIPDHBVRW-INIZCTEOSA-N	0	3	306.413	2.879	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)c1nc(C(F)(F)F)ccc1C#N	ZINC000265255083	426606280	/nfs/dbraw/zinc/60/62/80/426606280.db2.gz	XDBWNBXDJMWIJF-LLVKDONJSA-N	0	3	312.339	2.750	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C	ZINC000280597544	426610939	/nfs/dbraw/zinc/61/09/39/426610939.db2.gz	JBZAGEVVRZLONY-KGLIPLIRSA-N	0	3	301.390	2.547	20	30		DFEDHN
C=CCSCCNC(=O)N1CCN(C2CCCCC2)CC1	ZINC000178027153	426559133	/nfs/dbraw/zinc/55/91/33/426559133.db2.gz	SMFUSYUENKCYCQ-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1	ZINC000228222449	426632521	/nfs/dbraw/zinc/63/25/21/426632521.db2.gz	IWUPVVGOTCNXKJ-VBNZEHGJSA-N	0	3	306.431	2.565	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OC)c(OC)c1OC	ZINC000280717389	426640301	/nfs/dbraw/zinc/64/03/01/426640301.db2.gz	URKGTYXVFNFCPX-HOCLYGCPSA-N	0	3	321.417	2.783	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NCCN1CCC(C)CC1	ZINC000178539220	426651355	/nfs/dbraw/zinc/65/13/55/426651355.db2.gz	UDDOQZHEGNRTNH-UHFFFAOYSA-N	0	3	300.406	2.720	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl	ZINC000265604588	426661884	/nfs/dbraw/zinc/66/18/84/426661884.db2.gz	ATISMSNGMDRUMD-RPTYSRGTSA-N	0	3	312.200	2.792	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C#N	ZINC000273236126	426622402	/nfs/dbraw/zinc/62/24/02/426622402.db2.gz	FETRAXOYVZEOPE-HOTGVXAUSA-N	0	3	302.418	2.796	20	30		DFEDHN
CCN(CCNCc1cccc(C#N)c1)C(=O)OC(C)(C)C	ZINC000227874468	426630297	/nfs/dbraw/zinc/63/02/97/426630297.db2.gz	VZNCKALWNNDZAK-UHFFFAOYSA-N	0	3	303.406	2.905	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@@H](C)c2ccc(OC)cc2)C1=O	ZINC000281229979	426707662	/nfs/dbraw/zinc/70/76/62/426707662.db2.gz	KYRIUMLLEOUWPH-PBHICJAKSA-N	0	3	302.418	2.517	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290180402	426710772	/nfs/dbraw/zinc/71/07/72/426710772.db2.gz	NMYMWVSSOBVAJN-GFCCVEGCSA-N	0	3	318.396	2.891	20	30		DFEDHN
N#Cc1ccc(CN(C(=O)[C@H](C2CC2)N2CCCC2)C2CC2)cc1	ZINC000273605053	426694280	/nfs/dbraw/zinc/69/42/80/426694280.db2.gz	PYJKUOWIUUVPLM-IBGZPJMESA-N	0	3	323.440	2.924	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](OCc2ccncc2)C1	ZINC000280959867	426695289	/nfs/dbraw/zinc/69/52/89/426695289.db2.gz	JPULKBMFWDINGK-GOSISDBHSA-N	0	3	323.396	2.623	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000245732330	426767356	/nfs/dbraw/zinc/76/73/56/426767356.db2.gz	WEZMJQUZQZDTJX-ULQDDVLXSA-N	0	3	318.465	2.579	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000188651394	426772608	/nfs/dbraw/zinc/77/26/08/426772608.db2.gz	PDTWKBGHGRIHHP-SCTDSRPQSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@H](C)C1	ZINC000245816644	426774227	/nfs/dbraw/zinc/77/42/27/426774227.db2.gz	JTLKYRCFTSLFSR-GDBMZVCRSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=C(C)COc1cc(CNCC2(C(=O)OC)CC2)ccc1OC	ZINC000188670724	426776581	/nfs/dbraw/zinc/77/65/81/426776581.db2.gz	DYPKLHHHPZHIGC-UHFFFAOYSA-N	0	3	319.401	2.693	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000245941094	426784450	/nfs/dbraw/zinc/78/44/50/426784450.db2.gz	UMCIIWLBPDKJQX-HOTGVXAUSA-N	0	3	304.434	2.604	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000266394743	426725405	/nfs/dbraw/zinc/72/54/05/426725405.db2.gz	GIDLDVCEXKQDGK-GRDNDAEWSA-N	0	3	314.433	2.743	20	30		DFEDHN
COc1cc(CNCCOCC(F)(F)C(F)F)ccc1C#N	ZINC000281621473	426730491	/nfs/dbraw/zinc/73/04/91/426730491.db2.gz	HMZNIJAUPLMQPH-UHFFFAOYSA-N	0	3	320.286	2.573	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000290289161	426733750	/nfs/dbraw/zinc/73/37/50/426733750.db2.gz	BKVZYIOMPASEDR-MRXNPFEDSA-N	0	3	315.348	2.632	20	30		DFEDHN
COc1cc(CNCCN(C)Cc2ccccc2)ccc1C#N	ZINC000281698770	426747086	/nfs/dbraw/zinc/74/70/86/426747086.db2.gz	NPQXDOALMWANIZ-UHFFFAOYSA-N	0	3	309.413	2.788	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C	ZINC000245528796	426749160	/nfs/dbraw/zinc/74/91/60/426749160.db2.gz	GEAYJJYIHPUBQI-JKIFEVAISA-N	0	3	320.458	2.746	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000274343539	426749578	/nfs/dbraw/zinc/74/95/78/426749578.db2.gz	MVYRMWIVRGMKRO-INIZCTEOSA-N	0	3	318.461	2.888	20	30		DFEDHN
CN1CCO[C@@H]([C@@H](NCCCCC#N)c2ccc(Cl)cc2)C1	ZINC000245550899	426751285	/nfs/dbraw/zinc/75/12/85/426751285.db2.gz	APDIVVMURVWQNT-SJORKVTESA-N	0	3	321.852	2.995	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@H](C)NC(C)(C)CC)cc1	ZINC000274606955	426801526	/nfs/dbraw/zinc/80/15/26/426801526.db2.gz	GLPLVFIQBARWQJ-ZDUSSCGKSA-N	0	3	317.433	2.708	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(C#N)cs1	ZINC000246179070	426807592	/nfs/dbraw/zinc/80/75/92/426807592.db2.gz	SZBLFSBBJFYWBD-XQQFMLRXSA-N	0	3	305.447	2.716	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](c3ccc(F)cc3)C[C@H]2C)C1=O	ZINC000282011632	426811310	/nfs/dbraw/zinc/81/13/10/426811310.db2.gz	ONQJGPRTLIRSLZ-UNEWFSDZSA-N	0	3	302.393	2.790	20	30		DFEDHN
C=CCn1c(-c2ccccc2C)nnc1N1CCN2CCC[C@@H]2C1	ZINC000282130056	426835465	/nfs/dbraw/zinc/83/54/65/426835465.db2.gz	APCVOPNVXZJXHT-MRXNPFEDSA-N	0	3	323.444	2.724	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc2c1OCCO2	ZINC000246065503	426794866	/nfs/dbraw/zinc/79/48/66/426794866.db2.gz	WXLCDDOREDTTNN-ZBFHGGJFSA-N	0	3	303.402	2.922	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ncc(C(C)(C)C)o2)CC1	ZINC000282499854	426917295	/nfs/dbraw/zinc/91/72/95/426917295.db2.gz	OHBMMMIRNVCXHN-UHFFFAOYSA-N	0	3	319.449	2.671	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@H]2C2CC2)cc1	ZINC000290869303	426861217	/nfs/dbraw/zinc/86/12/17/426861217.db2.gz	ZNMXLDPOOXLFNN-SJLPKXTDSA-N	0	3	312.413	2.562	20	30		DFEDHN
CCc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc(C)n1	ZINC000180449039	426861303	/nfs/dbraw/zinc/86/13/03/426861303.db2.gz	YBLDREVMAQYKPS-UHFFFAOYSA-N	0	3	323.444	2.787	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccc(F)cc2)C[C@H]1C	ZINC000246822845	426869740	/nfs/dbraw/zinc/86/97/40/426869740.db2.gz	SQUKOISGBLRPKS-IIAWOOMASA-N	0	3	317.408	2.764	20	30		DFEDHN
C=CCCOCCNCc1c(C)nn(-c2ccccn2)c1C	ZINC000282736701	426924897	/nfs/dbraw/zinc/92/48/97/426924897.db2.gz	SZUOPVCIXNZOLT-UHFFFAOYSA-N	0	3	300.406	2.566	20	30		DFEDHN
COC(=O)CC1(NCc2ccc(C#N)c(OC)c2)CCCC1	ZINC000282275055	426869960	/nfs/dbraw/zinc/86/99/60/426869960.db2.gz	KRBDDKZQLVZSJX-UHFFFAOYSA-N	0	3	302.374	2.532	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1	ZINC000267432960	426879552	/nfs/dbraw/zinc/87/95/52/426879552.db2.gz	MZJZPBHRMYHMHX-OAHLLOKOSA-N	0	3	316.401	2.753	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C	ZINC000246946591	426882685	/nfs/dbraw/zinc/88/26/85/426882685.db2.gz	PBBHYHLGYQFUBV-JKIFEVAISA-N	0	3	320.458	2.746	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1	ZINC000189575068	426894228	/nfs/dbraw/zinc/89/42/28/426894228.db2.gz	QOOWLAGILSODKB-ICSRJNTNSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCCCC(=O)NCc1ccccc1CN1CCC[C@H]1CO	ZINC000180874795	426894173	/nfs/dbraw/zinc/89/41/73/426894173.db2.gz	SJRSFWLGDFGHIV-SFHVURJKSA-N	0	3	316.445	2.616	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2cccc(C#N)n2)c1	ZINC000189630055	426908873	/nfs/dbraw/zinc/90/88/73/426908873.db2.gz	DCEWIWPXALGCMW-UHFFFAOYSA-N	0	3	310.401	2.530	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000291552854	426912187	/nfs/dbraw/zinc/91/21/87/426912187.db2.gz	UXJQBBGTROGDHQ-INIZCTEOSA-N	0	3	307.344	2.848	20	30		DFEDHN
Cc1nc(NCc2ccc(OCCN(C)C)cc2)ccc1C#N	ZINC000291560568	426913353	/nfs/dbraw/zinc/91/33/53/426913353.db2.gz	CHVBXZROBPXTLX-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000275934113	426951142	/nfs/dbraw/zinc/95/11/42/426951142.db2.gz	CUUDEJJRCNVVJB-MJGOQNOKSA-N	0	3	315.461	2.964	20	30		DFEDHN
COc1ccc(CNCC[C@@](C)(O)c2ccccc2)cc1C#N	ZINC000189839031	426960738	/nfs/dbraw/zinc/96/07/38/426960738.db2.gz	WGUHTOFSZIPHFR-LJQANCHMSA-N	0	3	310.397	2.954	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000248050422	426974528	/nfs/dbraw/zinc/97/45/28/426974528.db2.gz	NRRDYUWGUFDIRG-FUHWJXTLSA-N	0	3	302.418	2.531	20	30		DFEDHN
C=C(C)CN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000181739529	426977257	/nfs/dbraw/zinc/97/72/57/426977257.db2.gz	SVMNJIFXJSNGBS-UHFFFAOYSA-N	0	3	305.422	2.975	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C#N)s1	ZINC000181815222	426982262	/nfs/dbraw/zinc/98/22/62/426982262.db2.gz	CBKZQRRQGCHCNH-OLZOCXBDSA-N	0	3	315.446	2.673	20	30		DFEDHN
C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C#N)s1	ZINC000181815203	426982534	/nfs/dbraw/zinc/98/25/34/426982534.db2.gz	CBKZQRRQGCHCNH-STQMWFEESA-N	0	3	315.446	2.673	20	30		DFEDHN
N#Cc1c(Cl)cccc1N1CCC(CN2CCOCC2)CC1	ZINC000295507674	426988234	/nfs/dbraw/zinc/98/82/34/426988234.db2.gz	LFOTWXYSDPQNOK-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000337834020	426993227	/nfs/dbraw/zinc/99/32/27/426993227.db2.gz	BEUFHEJCTDMETI-HNNXBMFYSA-N	0	3	305.470	2.583	20	30		DFEDHN
C#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282860826	426931722	/nfs/dbraw/zinc/93/17/22/426931722.db2.gz	VKWQBLCGHNHMHF-KRWDZBQOSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1	ZINC000247461332	426939033	/nfs/dbraw/zinc/93/90/33/426939033.db2.gz	IKENXUXKMKNEFU-PBHICJAKSA-N	0	3	301.434	2.580	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1	ZINC000247466960	426940233	/nfs/dbraw/zinc/94/02/33/426940233.db2.gz	RHNLRWTZCAYSTL-HOCLYGCPSA-N	0	3	300.402	2.560	20	30		DFEDHN
CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)cc2C)C1(C)C	ZINC000189993598	426993510	/nfs/dbraw/zinc/99/35/10/426993510.db2.gz	JCTGTTQVNPCVSB-WMZOPIPTSA-N	0	3	302.418	2.522	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1COc2ccccc2O1	ZINC000329177228	427057612	/nfs/dbraw/zinc/05/76/12/427057612.db2.gz	NBDCLAVHIQZCLI-DYVFJYSZSA-N	0	3	316.401	2.800	20	30		DFEDHN
C[C@H]1CN(CCCCNc2ccc(Cl)c(C#N)n2)C[C@H](C)O1	ZINC000268363914	426999119	/nfs/dbraw/zinc/99/91/19/426999119.db2.gz	XJZGMZFDGFTWEQ-STQMWFEESA-N	0	3	322.840	2.908	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000276179240	427001945	/nfs/dbraw/zinc/00/19/45/427001945.db2.gz	VKBMDDAPQNNWPM-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@H]1CN1CCCCC1)C1CC1	ZINC000328852675	427003684	/nfs/dbraw/zinc/00/36/84/427003684.db2.gz	VUDLZKMWUJAIDX-FUHWJXTLSA-N	0	3	318.465	2.585	20	30		DFEDHN
CN1CC[C@H](NC(=O)N[C@]2(C)CCCOC2)[C@@H]1c1ccccc1	ZINC000329184845	427061588	/nfs/dbraw/zinc/06/15/88/427061588.db2.gz	PVWHXZUELBQWES-XYJFISCASA-N	0	3	317.433	2.505	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CN1C1CC1	ZINC000328913139	427013164	/nfs/dbraw/zinc/01/31/64/427013164.db2.gz	HVYQJNIRVZZJFD-HGTKMLMNSA-N	0	3	323.481	2.709	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1	ZINC000268425691	427013871	/nfs/dbraw/zinc/01/38/71/427013871.db2.gz	AERRDFDYZVIFSL-AWEZNQCLSA-N	0	3	311.345	2.576	20	30		DFEDHN
O=C(CCc1ccc2c(c1)OCCO2)N[C@@H]1CCN(C2CC2)C1	ZINC000328973862	427019040	/nfs/dbraw/zinc/01/90/40/427019040.db2.gz	CFGARJDXZYREBU-CQSZACIVSA-N	0	3	316.401	2.584	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	ZINC000329016726	427028613	/nfs/dbraw/zinc/02/86/13/427028613.db2.gz	KKLOOKFHRMSQCT-HUUCEWRRSA-N	0	3	323.481	2.854	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN(CC2CC2)CC1	ZINC000337904077	427029721	/nfs/dbraw/zinc/02/97/21/427029721.db2.gz	LPVWLYWRNARVQM-UHFFFAOYSA-N	0	3	317.481	2.585	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268523331	427041903	/nfs/dbraw/zinc/04/19/03/427041903.db2.gz	VJSVEYSFOVYHMA-XQQFMLRXSA-N	0	3	317.393	2.640	20	30		DFEDHN
CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000329132902	427048695	/nfs/dbraw/zinc/04/86/95/427048695.db2.gz	AXKUEWGIWYRFBR-CYBMUJFWSA-N	0	3	304.438	2.865	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOCc2cccc(Cl)n2)cc1	ZINC000268539937	427049223	/nfs/dbraw/zinc/04/92/23/427049223.db2.gz	ZBNMHOXVNHBMSJ-UHFFFAOYSA-N	0	3	318.808	2.634	20	30		DFEDHN
CC1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCOCC1	ZINC000329142277	427052737	/nfs/dbraw/zinc/05/27/37/427052737.db2.gz	UVXGBLUYQFIMBV-UHFFFAOYSA-N	0	3	324.465	2.795	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3ccncc3)C2)cc1	ZINC000296076866	427066918	/nfs/dbraw/zinc/06/69/18/427066918.db2.gz	VRBJMFCJUQQTGF-OALUTQOASA-N	0	3	307.397	2.866	20	30		DFEDHN
CC(C)(C)CCN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000268615036	427068247	/nfs/dbraw/zinc/06/82/47/427068247.db2.gz	LSNJSCUKMCYMPN-SFHVURJKSA-N	0	3	315.461	2.645	20	30		DFEDHN
CC(C)(C)CCN1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000268615034	427069382	/nfs/dbraw/zinc/06/93/82/427069382.db2.gz	LSNJSCUKMCYMPN-GOSISDBHSA-N	0	3	315.461	2.645	20	30		DFEDHN
CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21	ZINC000268631558	427074268	/nfs/dbraw/zinc/07/42/68/427074268.db2.gz	BUIAUCSSRMZBNG-WOJBJXKFSA-N	0	3	322.408	2.837	20	30		DFEDHN
CCc1noc(CC)c1CC(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329265761	427074813	/nfs/dbraw/zinc/07/48/13/427074813.db2.gz	CMDPWIDPLMGGCC-LBPRGKRZSA-N	0	3	305.422	2.949	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C	ZINC000329279712	427080898	/nfs/dbraw/zinc/08/08/98/427080898.db2.gz	KCRHNWCBQDESJD-GOOCMWNKSA-N	0	3	315.417	2.966	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	ZINC000249059276	427082786	/nfs/dbraw/zinc/08/27/86/427082786.db2.gz	OZLANDGCGJCYCG-JQHSSLGASA-N	0	3	314.429	2.695	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CCCOc3ccccc3)C2)nc1	ZINC000292100092	427089442	/nfs/dbraw/zinc/08/94/42/427089442.db2.gz	GIXZIQNDWXZJTL-SFHVURJKSA-N	0	3	323.396	2.875	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000182523725	427093984	/nfs/dbraw/zinc/09/39/84/427093984.db2.gz	UMCIIWLBPDKJQX-JKSUJKDBSA-N	0	3	304.434	2.604	20	30		DFEDHN
Cn1cc(CN[C@H](c2cccs2)C(C)(C)CO)cc1C#N	ZINC000296163715	427096979	/nfs/dbraw/zinc/09/69/79/427096979.db2.gz	YJLGVOCIYRKKEF-OAHLLOKOSA-N	0	3	303.431	2.808	20	30		DFEDHN
CCC1(CC)CCCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000190412107	427100056	/nfs/dbraw/zinc/10/00/56/427100056.db2.gz	UIAOLFZHIGEDRS-UHFFFAOYSA-N	0	3	318.465	2.935	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000249275857	427100330	/nfs/dbraw/zinc/10/03/30/427100330.db2.gz	LVPNARHYSRMOPZ-LPHOPBHVSA-N	0	3	318.461	2.852	20	30		DFEDHN
C[C@H](C(=O)NC1CCCCC1)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329384846	427103233	/nfs/dbraw/zinc/10/32/33/427103233.db2.gz	RTDMMYFZMICFPX-CABCVRRESA-N	0	3	321.465	2.608	20	30		DFEDHN
CC(C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)[C@@H]1CCCOC1	ZINC000329412128	427109430	/nfs/dbraw/zinc/10/94/30/427109430.db2.gz	ATAMLNPFXPFAHX-RQJABVFESA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc2c(c1)C(=O)NCC2	ZINC000329443203	427115057	/nfs/dbraw/zinc/11/50/57/427115057.db2.gz	NJTGOMDYSKTYAG-BETUJISGSA-N	0	3	315.417	2.877	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCO1	ZINC000329431552	427117107	/nfs/dbraw/zinc/11/71/07/427117107.db2.gz	HWLNVXYQTNERGF-KCYZZUKISA-N	0	3	323.481	2.709	20	30		DFEDHN
C=CCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000338052609	427117800	/nfs/dbraw/zinc/11/78/00/427117800.db2.gz	JKQFODGRVJZLRL-QGZVFWFLSA-N	0	3	316.445	2.606	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCO1	ZINC000329490054	427124098	/nfs/dbraw/zinc/12/40/98/427124098.db2.gz	SIHUQYOEEPLGHR-MUIFIZLQSA-N	0	3	323.481	2.566	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)NC3CCCCC3)C2)[nH]1	ZINC000329481348	427126021	/nfs/dbraw/zinc/12/60/21/427126021.db2.gz	RDZDNRXEMBXURH-TZMCWYRMSA-N	0	3	319.453	2.970	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC[C@@H](C)C1	ZINC000249719700	427140334	/nfs/dbraw/zinc/14/03/34/427140334.db2.gz	LMOLMLZJTZGUOY-CHWSQXEVSA-N	0	3	318.396	2.939	20	30		DFEDHN
COC(=O)[C@H](C)Oc1ccc(CNCc2cccc(C#N)c2)cc1	ZINC000182758083	427140466	/nfs/dbraw/zinc/14/04/66/427140466.db2.gz	FROVIWZCKLULJE-AWEZNQCLSA-N	0	3	324.380	2.788	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000277268213	427142705	/nfs/dbraw/zinc/14/27/05/427142705.db2.gz	AHLYIPLABZARTE-DOMZBBRYSA-N	0	3	313.319	2.951	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1OCCCC#N	ZINC000250087440	427153152	/nfs/dbraw/zinc/15/31/52/427153152.db2.gz	PWYYZJIVZDUTGU-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncncc2Br)CC1	ZINC000268825941	427130514	/nfs/dbraw/zinc/13/05/14/427130514.db2.gz	QTRWMVPPUXIZPZ-UHFFFAOYSA-N	0	3	311.227	2.692	20	30		DFEDHN
COc1cccc(CNCCSCc2ccccc2C#N)n1	ZINC000190701512	427162748	/nfs/dbraw/zinc/16/27/48/427162748.db2.gz	KXLNEQGZMWUNKV-UHFFFAOYSA-N	0	3	313.426	2.985	20	30		DFEDHN
CN(CCOc1ccccc1C#N)[C@H](CCO)c1ccccc1	ZINC000304315336	271369876	/nfs/dbraw/zinc/36/98/76/271369876.db2.gz	OAHCRYYYNIRVHK-GOSISDBHSA-N	0	3	310.397	2.993	20	30		DFEDHN
Cn1cc(CNCc2cccc(OCC(F)F)c2)cc1C#N	ZINC000190962869	427216774	/nfs/dbraw/zinc/21/67/74/427216774.db2.gz	HAKOPRCYBYRAPG-UHFFFAOYSA-N	0	3	305.328	2.830	20	30		DFEDHN
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CCN(C2CCC2)C1	ZINC000292425508	427180542	/nfs/dbraw/zinc/18/05/42/427180542.db2.gz	WWBJIKIUUUDYOO-JTQLQIEISA-N	0	3	310.854	2.979	20	30		DFEDHN
COC(=O)COc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1	ZINC000183048228	427189689	/nfs/dbraw/zinc/18/96/89/427189689.db2.gz	XUXFTDODQMBZCS-UHFFFAOYSA-N	0	3	324.380	2.742	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(CCOC)CC1)C(C)C	ZINC000269444364	427197304	/nfs/dbraw/zinc/19/73/04/427197304.db2.gz	NOQNQSXCKJWBBX-INIZCTEOSA-N	0	3	308.466	2.618	20	30		DFEDHN
CC(C)(C)OC(=O)NCCCNCc1ccc(C#N)cc1F	ZINC000269453449	427198886	/nfs/dbraw/zinc/19/88/86/427198886.db2.gz	WJHNFNUJZYWUKU-UHFFFAOYSA-N	0	3	307.369	2.702	20	30		DFEDHN
C#CCCCC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1	ZINC000277449700	427206834	/nfs/dbraw/zinc/20/68/34/427206834.db2.gz	XKVQYKQCBGNGIO-SFHVURJKSA-N	0	3	314.429	2.752	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2CN2CCCC2)c1	ZINC000285232993	427207094	/nfs/dbraw/zinc/20/70/94/427207094.db2.gz	QQPXONNUBKIXEU-CQSZACIVSA-N	0	3	317.820	2.912	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@H](C(C)C)C1	ZINC000293132891	427220277	/nfs/dbraw/zinc/22/02/77/427220277.db2.gz	UZBODVIZEGYMKK-SFHVURJKSA-N	0	3	318.417	2.693	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000285412542	427223725	/nfs/dbraw/zinc/22/37/25/427223725.db2.gz	JARTYIWTBHJINM-CQSZACIVSA-N	0	3	317.820	2.912	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)c1cc(C)nc(OC)c1	ZINC000330382437	427225858	/nfs/dbraw/zinc/22/58/58/427225858.db2.gz	OMWOGVIBOZLYQZ-HNNXBMFYSA-N	0	3	305.422	2.968	20	30		DFEDHN
CCOC1CC2(C1)CCN(CCOc1ccc(C#N)cc1)C2	ZINC000285414203	427227416	/nfs/dbraw/zinc/22/74/16/427227416.db2.gz	GBQYUISHYWIBFH-UHFFFAOYSA-N	0	3	300.402	2.828	20	30		DFEDHN
CCc1ccc([C@@H](O)CNCc2ccc(C#N)c(OC)c2)cc1	ZINC000285445791	427234141	/nfs/dbraw/zinc/23/41/41/427234141.db2.gz	IPRMTBFHFCVBDT-SFHVURJKSA-N	0	3	310.397	2.952	20	30		DFEDHN
Cc1nnc([C@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)[nH]1	ZINC000269645095	427237943	/nfs/dbraw/zinc/23/79/43/427237943.db2.gz	TWNKNMWMWXEYBQ-HNNXBMFYSA-N	0	3	314.820	2.998	20	30		DFEDHN
N#Cc1cccc(N2CCN(C[C@H]3CCCC(F)(F)C3)CC2)n1	ZINC000338303057	427249732	/nfs/dbraw/zinc/24/97/32/427249732.db2.gz	LNLKQRHXKSBBFF-AWEZNQCLSA-N	0	3	320.387	2.901	20	30		DFEDHN
COc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1C#N	ZINC000269701484	427254101	/nfs/dbraw/zinc/25/41/01/427254101.db2.gz	MFGYPEKFAHEPSQ-WMZOPIPTSA-N	0	3	300.402	2.694	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1	ZINC000269762015	427273368	/nfs/dbraw/zinc/27/33/68/427273368.db2.gz	JYPRGNVNKOCMDT-WMLDXEAASA-N	0	3	322.412	2.527	20	30		DFEDHN
Cn1cc(CNCCNc2ncc(Cl)cc2Cl)cc1C#N	ZINC000191182381	427278535	/nfs/dbraw/zinc/27/85/35/427278535.db2.gz	BIRGYJHTPZHCBF-UHFFFAOYSA-N	0	3	324.215	2.800	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000330640781	427281011	/nfs/dbraw/zinc/28/10/11/427281011.db2.gz	WTBRCPVHTLQGEB-IAGOWNOFSA-N	0	3	323.481	2.734	20	30		DFEDHN
N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](N3CCCCC3)C2)cc1	ZINC000330811230	427303702	/nfs/dbraw/zinc/30/37/02/427303702.db2.gz	OQFATPAWOZMVID-DLBZAZTESA-N	0	3	312.417	2.695	20	30		DFEDHN
COc1ccc(N2CCCN(Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000191266746	427303971	/nfs/dbraw/zinc/30/39/71/427303971.db2.gz	CHQMKBGHTQCBCF-UHFFFAOYSA-N	0	3	324.428	2.618	20	30		DFEDHN
C=CCOCCCC(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000269914087	427305369	/nfs/dbraw/zinc/30/53/69/427305369.db2.gz	CFMYNFYRBNBUCJ-UHFFFAOYSA-N	0	3	318.461	2.996	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2cc(Cl)c(Cl)cn2)CC1	ZINC000330993321	427324335	/nfs/dbraw/zinc/32/43/35/427324335.db2.gz	VKTWHUPLONBTQW-UHFFFAOYSA-N	0	3	315.204	2.976	20	30		DFEDHN
CC(C)Cn1cc(C(=O)NCCN2CCCC(C)(C)C2)cn1	ZINC000330996742	427325694	/nfs/dbraw/zinc/32/56/94/427325694.db2.gz	UWXOFVROPBMMBR-UHFFFAOYSA-N	0	3	306.454	2.966	20	30		DFEDHN
COc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000331066923	427335563	/nfs/dbraw/zinc/33/55/63/427335563.db2.gz	QNEASTVDKBGGOV-WCQYABFASA-N	0	3	321.377	2.637	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1	ZINC000270364931	427335782	/nfs/dbraw/zinc/33/57/82/427335782.db2.gz	SEYFRGMDDAGENJ-JQHSSLGASA-N	0	3	313.445	2.875	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@H]2c2cccnc2)cc1	ZINC000261726521	427338903	/nfs/dbraw/zinc/33/89/03/427338903.db2.gz	NUZLBCUGVMRAQH-IBGZPJMESA-N	0	3	309.413	2.793	20	30		DFEDHN
Cc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc([N+](=O)[O-])c1	ZINC000331094492	427343186	/nfs/dbraw/zinc/34/31/86/427343186.db2.gz	KKFCKRXXLNBBDR-HNNXBMFYSA-N	0	3	323.418	2.645	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)NC2CCN(CC)CC2)c1C	ZINC000331096634	427343592	/nfs/dbraw/zinc/34/35/92/427343592.db2.gz	ANZXOFTYTZYOEI-LBPRGKRZSA-N	0	3	307.442	2.973	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C	ZINC000293499414	427345623	/nfs/dbraw/zinc/34/56/23/427345623.db2.gz	UFKHQZSNNDSZDI-MNOVXSKESA-N	0	3	303.431	2.777	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000277878605	427347475	/nfs/dbraw/zinc/34/74/75/427347475.db2.gz	NXRDKFJCIDMSOV-DOMZBBRYSA-N	0	3	319.405	2.886	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1F	ZINC000330673168	427290514	/nfs/dbraw/zinc/29/05/14/427290514.db2.gz	OYQKHZBPMADMLW-YOEHRIQHSA-N	0	3	304.365	2.909	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)N[C@@H](C)CN2CCCCC2)cc1C	ZINC000330691370	427293248	/nfs/dbraw/zinc/29/32/48/427293248.db2.gz	QVLICMRELHSZED-KBPBESRZSA-N	0	3	321.469	3.363	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000338383238	427293246	/nfs/dbraw/zinc/29/32/46/427293246.db2.gz	PHALGWYNVJLEKX-QGZVFWFLSA-N	0	3	323.396	2.793	20	30		DFEDHN
CC(C)Cn1cc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cn1	ZINC000330693040	427293410	/nfs/dbraw/zinc/29/34/10/427293410.db2.gz	BYOYZGDBUDZCBY-CQSZACIVSA-N	0	3	321.469	2.747	20	30		DFEDHN
C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(-n2ccnc2)c1	ZINC000191240561	427295689	/nfs/dbraw/zinc/29/56/89/427295689.db2.gz	HTTZVKRJAYVPBI-CQSZACIVSA-N	0	3	305.385	2.933	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000277723378	427297166	/nfs/dbraw/zinc/29/71/66/427297166.db2.gz	PSACNOIIUFOTDR-SFHVURJKSA-N	0	3	322.452	2.772	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)NCc2cccnc2)CCCC1(C)C	ZINC000277721218	427297946	/nfs/dbraw/zinc/29/79/46/427297946.db2.gz	JCSCRHPBTFSWSM-INIZCTEOSA-N	0	3	301.434	2.765	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NCCN1CCCC[C@@H]1C	ZINC000331218775	427372467	/nfs/dbraw/zinc/37/24/67/427372467.db2.gz	SHGLAYHKIZUZEB-AWEZNQCLSA-N	0	3	305.422	2.968	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N(C)[C@H](C)c1ccc(C)cc1C	ZINC000331252376	427382927	/nfs/dbraw/zinc/38/29/27/427382927.db2.gz	ULTAVNYZAHEZRR-KGLIPLIRSA-N	0	3	305.422	2.735	20	30		DFEDHN
CCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccncc1	ZINC000271048334	427384802	/nfs/dbraw/zinc/38/48/02/427384802.db2.gz	WCOWRDDOVPOFCK-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCC1CCC(C#N)CC1)N1CCCCC1	ZINC000331283907	427393192	/nfs/dbraw/zinc/39/31/92/427393192.db2.gz	SDEWOCRTTZWGCW-JCYILVPMSA-N	0	3	305.466	2.943	20	30		DFEDHN
Cc1c(Cl)cccc1C(=O)NC[C@H]1CCCCN1CCO	ZINC000331319242	427397567	/nfs/dbraw/zinc/39/75/67/427397567.db2.gz	KCIHHPQHQZZWSI-CYBMUJFWSA-N	0	3	310.825	2.800	20	30		DFEDHN
Cc1nc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)sc1C	ZINC000331325655	427399768	/nfs/dbraw/zinc/39/97/68/427399768.db2.gz	OIQYEHMTKGSCRN-CYBMUJFWSA-N	0	3	324.494	2.884	20	30		DFEDHN
CC(C)N1C[C@H](Nc2ncc(Br)cc2C#N)[C@@H](C)C1	ZINC000297371253	427401432	/nfs/dbraw/zinc/40/14/32/427401432.db2.gz	CUAARLMMGXNIDI-GWCFXTLKSA-N	0	3	323.238	2.856	20	30		DFEDHN
CC(C)(O)[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000331177329	427364326	/nfs/dbraw/zinc/36/43/26/427364326.db2.gz	FVAGUEGPFYNYAO-HOTGVXAUSA-N	0	3	300.402	2.521	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000278710563	427449878	/nfs/dbraw/zinc/44/98/78/427449878.db2.gz	BVIGRWVASWEVEJ-STQMWFEESA-N	0	3	303.381	2.548	20	30		DFEDHN
COc1cc(CN(C)C[C@@H](O)Cc2ccccc2)ccc1C#N	ZINC000293826146	427453670	/nfs/dbraw/zinc/45/36/70/427453670.db2.gz	GDSJBNOLMBLBKA-SFHVURJKSA-N	0	3	310.397	2.602	20	30		DFEDHN
C=CCCC(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1	ZINC000271264662	427473788	/nfs/dbraw/zinc/47/37/88/427473788.db2.gz	HKNCHORACSSTBC-QGZVFWFLSA-N	0	3	302.418	2.915	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000286089007	427421622	/nfs/dbraw/zinc/42/16/22/427421622.db2.gz	AMZIZMVLRFSFGF-UHFFFAOYSA-N	0	3	315.377	2.501	20	30		DFEDHN
Cc1nsc(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1C#N	ZINC000286310812	427487481	/nfs/dbraw/zinc/48/74/81/427487481.db2.gz	TWJGCIRQJFHXTB-SWLSCSKDSA-N	0	3	302.447	2.776	20	30		DFEDHN
C=C(CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)c1ccccc1	ZINC000298109826	427522764	/nfs/dbraw/zinc/52/27/64/427522764.db2.gz	XGTNPPZOWKIFMK-HNNXBMFYSA-N	0	3	313.445	2.826	20	30		DFEDHN
C#C[C@@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C	ZINC000298134125	427526221	/nfs/dbraw/zinc/52/62/21/427526221.db2.gz	YYTPHSHRJUHJDZ-QZTJIDSGSA-N	0	3	313.445	2.560	20	30		DFEDHN
C[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000263677438	427538197	/nfs/dbraw/zinc/53/81/97/427538197.db2.gz	HJVPBQYSMLUZPV-ZDUSSCGKSA-N	0	3	324.346	2.515	20	30		DFEDHN
N#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1Cl	ZINC000192796954	427611914	/nfs/dbraw/zinc/61/19/14/427611914.db2.gz	MSQKJUURPDGQAB-MRXNPFEDSA-N	0	3	317.820	2.895	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)CC1CCS(=O)(=O)CC1	ZINC000279243040	427612275	/nfs/dbraw/zinc/61/22/75/427612275.db2.gz	GGCNIWQYUYYEPJ-UHFFFAOYSA-N	0	3	307.459	2.890	20	30		DFEDHN
CC(C)[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000185006430	427577347	/nfs/dbraw/zinc/57/73/47/427577347.db2.gz	DXOUWVGDRXZDKU-ROUUACIJSA-N	0	3	313.445	2.741	20	30		DFEDHN
N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1Cl	ZINC000192796971	427610977	/nfs/dbraw/zinc/61/09/77/427610977.db2.gz	MSQKJUURPDGQAB-INIZCTEOSA-N	0	3	317.820	2.895	20	30		DFEDHN
CC[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000279316564	427637157	/nfs/dbraw/zinc/63/71/57/427637157.db2.gz	RXWBUUAGLFPHQX-GOEBONIOSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)c(F)c1	ZINC000342413079	272006874	/nfs/dbraw/zinc/00/68/74/272006874.db2.gz	AFINCIJFUASLHA-HNNXBMFYSA-N	0	3	300.308	2.930	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000298685616	427677023	/nfs/dbraw/zinc/67/70/23/427677023.db2.gz	XOCLUWJROQBHCS-UHFFFAOYSA-N	0	3	317.433	2.511	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1NCc1cccc(C#N)c1	ZINC000343394342	272135616	/nfs/dbraw/zinc/13/56/16/272135616.db2.gz	RNLVIWLSSXKVLR-SJLPKXTDSA-N	0	3	310.401	2.955	20	30		DFEDHN
Cc1noc(C)c1CCN(C)CCOCc1ccc(C#N)cc1	ZINC000344111227	272265667	/nfs/dbraw/zinc/26/56/67/272265667.db2.gz	KAFOBIONCYPSFV-UHFFFAOYSA-N	0	3	313.401	2.854	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000339189550	427722472	/nfs/dbraw/zinc/72/24/72/427722472.db2.gz	KIOVFPWDWGETBO-IIMNLJJBSA-N	0	3	309.772	2.500	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1	ZINC000185651870	427686599	/nfs/dbraw/zinc/68/65/99/427686599.db2.gz	OTVLCBSVQJJWJG-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCC[C@@H]1O	ZINC000339138630	427695729	/nfs/dbraw/zinc/69/57/29/427695729.db2.gz	XADDJIPDWKTYIC-JSGCOSHPSA-N	0	3	310.344	2.752	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1	ZINC000298853345	427717793	/nfs/dbraw/zinc/71/77/93/427717793.db2.gz	DPCNELHDSHFFJK-CABCVRRESA-N	0	3	302.418	2.935	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(CC(C)C)C1CCN(C)CC1)OCC	ZINC000339364258	427760304	/nfs/dbraw/zinc/76/03/04/427760304.db2.gz	GVAMTBQRCIIWQE-KRWDZBQOSA-N	0	3	310.482	2.937	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000336872332	427768699	/nfs/dbraw/zinc/76/86/99/427768699.db2.gz	LTRPOCNSGQUAJR-KRWDZBQOSA-N	0	3	314.429	2.976	20	30		DFEDHN
CC[C@H]1CN(c2cc(C#N)nc3ccccc32)CCN1CCOC	ZINC000301443795	427796265	/nfs/dbraw/zinc/79/62/65/427796265.db2.gz	YOYHKJDIFAPUNW-INIZCTEOSA-N	0	3	324.428	2.653	20	30		DFEDHN
CCN1CCC[C@H]1CN(Cc1ccncc1)c1ncccc1C#N	ZINC000301542215	427804406	/nfs/dbraw/zinc/80/44/06/427804406.db2.gz	KDJYIBCMDJWPTM-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@@H]2CCCc3cc(OC)ccc32)C1=O	ZINC000337140198	427805158	/nfs/dbraw/zinc/80/51/58/427805158.db2.gz	QUENXWXMRGPTCR-QZTJIDSGSA-N	0	3	314.429	2.791	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@H](OCC)C2(CC)CC)C1=O	ZINC000337156199	427807417	/nfs/dbraw/zinc/80/74/17/427807417.db2.gz	ABXRTFMQEYQDAT-XHSDSOJGSA-N	0	3	308.466	2.689	20	30		DFEDHN
CCc1nnc(N[C@@H]2CCN(C3CCCC3)C2)c(C#N)c1CC	ZINC000301610535	427809154	/nfs/dbraw/zinc/80/91/54/427809154.db2.gz	CPRZVCUIXYCFSJ-CYBMUJFWSA-N	0	3	313.449	2.902	20	30		DFEDHN
C=CCN1CC[C@@H](N(CC)[C@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337172684	427809596	/nfs/dbraw/zinc/80/95/96/427809596.db2.gz	GSDWTYMRSQMURW-CRAIPNDOSA-N	0	3	316.445	2.735	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H]2C[C@H](OCCCC)C2(C)C)C1=O	ZINC000337185308	427811569	/nfs/dbraw/zinc/81/15/69/427811569.db2.gz	OUJVNPVJVXFZQF-XHSDSOJGSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)[C@@H](OC)c2ccccc2Cl)C1=O	ZINC000337195621	427813365	/nfs/dbraw/zinc/81/33/65/427813365.db2.gz	WVVHLKTWAOJBDR-VBNZEHGJSA-N	0	3	322.836	2.793	20	30		DFEDHN
COc1ccc(CN2CCC[C@](CO)(C(C)C)C2)cc1C#N	ZINC000339702186	427814413	/nfs/dbraw/zinc/81/44/13/427814413.db2.gz	UDVYINPVYBHVDI-SFHVURJKSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CCCCOc2ccccc2)C1=O	ZINC000337238564	427820597	/nfs/dbraw/zinc/82/05/97/427820597.db2.gz	ZLNLVWHEQQRXBL-QGZVFWFLSA-N	0	3	302.418	2.564	20	30		DFEDHN
Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1	ZINC000301782301	427823672	/nfs/dbraw/zinc/82/36/72/427823672.db2.gz	NNCIYRLRFFQBQV-GASCZTMLSA-N	0	3	316.449	2.871	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)c(F)c1)c1cccc(C#N)n1	ZINC000301822686	427826948	/nfs/dbraw/zinc/82/69/48/427826948.db2.gz	HKRVJBUXXVEDAC-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
CC(C)[C@H](CNc1ccc(C#N)nn1)N1CCc2ccccc2C1	ZINC000301925607	427842733	/nfs/dbraw/zinc/84/27/33/427842733.db2.gz	MRDCFPQCJCZIGQ-SFHVURJKSA-N	0	3	321.428	2.843	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)nn2)CC1	ZINC000301952793	427847152	/nfs/dbraw/zinc/84/71/52/427847152.db2.gz	CJSVZDVJFCRVBP-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#N)c1)N1CCCC[C@H]1C	ZINC000337359395	427863568	/nfs/dbraw/zinc/86/35/68/427863568.db2.gz	GYFVUCJWRWTDCW-ZIAGYGMSSA-N	0	3	300.406	2.943	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000337360333	427864068	/nfs/dbraw/zinc/86/40/68/427864068.db2.gz	GWUIBVPLRQXQRW-GHMZBOCLSA-N	0	3	301.321	2.833	20	30		DFEDHN
C[C@H](CNC(=O)NCC#Cc1ccccc1)N1CCCC[C@@H]1C	ZINC000337369239	427866658	/nfs/dbraw/zinc/86/66/58/427866658.db2.gz	OGXNYHOHCPSNFF-DLBZAZTESA-N	0	3	313.445	2.600	20	30		DFEDHN
CCN1CCC[C@@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)C1	ZINC000359480674	427870407	/nfs/dbraw/zinc/87/04/07/427870407.db2.gz	LPDKWGHLIMUMDJ-OAHLLOKOSA-N	0	3	312.392	2.872	20	30		DFEDHN
N#Cc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2OC(F)F)cc1	ZINC000337432669	427902082	/nfs/dbraw/zinc/90/20/82/427902082.db2.gz	VPNVXCRMRBXENU-KBPBESRZSA-N	0	3	323.343	2.637	20	30		DFEDHN
CC1(C)CCC[C@@]1(O)CNC(=O)C(C#N)CCc1ccccc1	ZINC000355813455	427907033	/nfs/dbraw/zinc/90/70/33/427907033.db2.gz	PBYHNIUZRXUJMN-QFBILLFUSA-N	0	3	314.429	2.816	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000350728974	427966618	/nfs/dbraw/zinc/96/66/18/427966618.db2.gz	HFRPEZFJCVXZMW-RBSFLKMASA-N	0	3	305.470	2.897	20	30		DFEDHN
C=CCN(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000350725047	427967514	/nfs/dbraw/zinc/96/75/14/427967514.db2.gz	RQONYSCDNXNILC-UHFFFAOYSA-N	0	3	319.371	2.619	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CC(OC)C1)C(C)C	ZINC000350735219	427968564	/nfs/dbraw/zinc/96/85/64/427968564.db2.gz	DVVJVOCPGDKNBC-OFLPRAFFSA-N	0	3	323.481	2.504	20	30		DFEDHN
Cc1c(Cl)cccc1N1CCCN(C(=O)C(C)C#N)CC1	ZINC000355996247	427976363	/nfs/dbraw/zinc/97/63/63/427976363.db2.gz	IDMAGQNJQRSRED-GFCCVEGCSA-N	0	3	305.809	2.847	20	30		DFEDHN
CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCN(C2CC2)C1	ZINC000356005135	427978979	/nfs/dbraw/zinc/97/89/79/427978979.db2.gz	SDFAFKKXHVRDHK-WMZOPIPTSA-N	0	3	311.429	2.769	20	30		DFEDHN
COc1cc(CN(C)C(=O)C(C)C#N)c(SC)cc1OC	ZINC000355867043	427928806	/nfs/dbraw/zinc/92/88/06/427928806.db2.gz	SCXDUIJFELIWGC-JTQLQIEISA-N	0	3	308.403	2.544	20	30		DFEDHN
C[C@@H](NC(=O)NCC1(CC#N)CC1)[C@H](c1ccccc1)N(C)C	ZINC000355873193	427930574	/nfs/dbraw/zinc/93/05/74/427930574.db2.gz	LMZAQGVFPBPPJI-GDBMZVCRSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)CCN1CCN(CC)CC1	ZINC000337511483	427938437	/nfs/dbraw/zinc/93/84/37/427938437.db2.gz	MFRTWMLBIFGGAE-UHFFFAOYSA-N	0	3	315.461	2.771	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1(C)C	ZINC000340850347	427941274	/nfs/dbraw/zinc/94/12/74/427941274.db2.gz	MJRLTOCTWNUCTQ-XLWVJDPXSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@H](C)[C@@](C)(C(=O)OC)C1	ZINC000337527986	427945603	/nfs/dbraw/zinc/94/56/03/427945603.db2.gz	HLHSBFDAERAXBI-KSSFIOAISA-N	0	3	303.402	2.882	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccccc1OCc1ccncc1	ZINC000341261747	428030898	/nfs/dbraw/zinc/03/08/98/428030898.db2.gz	DHYTXOGLOUBABJ-KRWDZBQOSA-N	0	3	312.413	2.935	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1c(F)cccc1OC(F)(F)F	ZINC000341297207	428033394	/nfs/dbraw/zinc/03/33/94/428033394.db2.gz	YSYFLFVRPHWYTR-SNVBAGLBSA-N	0	3	307.287	2.999	20	30		DFEDHN
Cc1c([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)cnn1C	ZINC000341286916	428033738	/nfs/dbraw/zinc/03/37/38/428033738.db2.gz	YINPTYZYMVWNOO-CJNGLKHVSA-N	0	3	310.401	2.678	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369705612	428039372	/nfs/dbraw/zinc/03/93/72/428039372.db2.gz	ZOPYJXDWRRSVRW-ROUUACIJSA-N	0	3	323.396	2.807	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nccn2nc(C)cc12)C(C)C	ZINC000356192948	428062440	/nfs/dbraw/zinc/06/24/40/428062440.db2.gz	OWZLZAIYIQYCQT-QGZVFWFLSA-N	0	3	313.449	3.148	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000359869281	428053185	/nfs/dbraw/zinc/05/31/85/428053185.db2.gz	KZZVROGWTCVRPR-GDBMZVCRSA-N	0	3	320.408	2.752	20	30		DFEDHN
CC[C@@H](NCc1cccnc1-n1cncn1)c1ccc(C#N)cc1	ZINC000377082451	428053477	/nfs/dbraw/zinc/05/34/77/428053477.db2.gz	YYHAUZNCWJWHRN-QGZVFWFLSA-N	0	3	318.384	2.775	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@H]1CCN(CC)C1)c1ccc(F)c(F)c1	ZINC000413463564	428054487	/nfs/dbraw/zinc/05/44/87/428054487.db2.gz	XTFWHMHSMVJKRW-BBRMVZONSA-N	0	3	323.387	2.975	20	30		DFEDHN
CN1CCN(Cc2ccc(C#N)cc2Br)C(C)(C)C1	ZINC000350988047	427998395	/nfs/dbraw/zinc/99/83/95/427998395.db2.gz	JNKRAPNVEPOCKY-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000413308129	428015835	/nfs/dbraw/zinc/01/58/35/428015835.db2.gz	CBPBWVDJFKCKFV-CGTJXYLNSA-N	0	3	315.461	2.956	20	30		DFEDHN
C=CCC1(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CCC1	ZINC000359901094	428067840	/nfs/dbraw/zinc/06/78/40/428067840.db2.gz	NYQBVUNRXIUPBW-LSDHHAIUSA-N	0	3	308.491	2.771	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)CC1	ZINC000369831562	428070919	/nfs/dbraw/zinc/07/09/19/428070919.db2.gz	QPRYWOCPNRDHBE-KFKAGJAMSA-N	0	3	310.441	2.640	20	30		DFEDHN
COc1cc2c(cc1OC)CCN(CCCSCC#N)CC2	ZINC000369838395	428073332	/nfs/dbraw/zinc/07/33/32/428073332.db2.gz	UWDQHDXGYIGYIF-UHFFFAOYSA-N	0	3	320.458	2.751	20	30		DFEDHN
C[C@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccc(C#N)cc1	ZINC000352092459	428124509	/nfs/dbraw/zinc/12/45/09/428124509.db2.gz	TVNGCUSRCLHMAO-LBPRGKRZSA-N	0	3	307.353	2.854	20	30		DFEDHN
CN(C)[C@@H](CNc1nccc(C#N)c1Cl)Cc1ccccc1	ZINC000341398487	428063506	/nfs/dbraw/zinc/06/35/06/428063506.db2.gz	JRGKJXFKHBGAMR-OAHLLOKOSA-N	0	3	314.820	3.191	20	30		DFEDHN
C=CCOCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C	ZINC000359891360	428064222	/nfs/dbraw/zinc/06/42/22/428064222.db2.gz	BKHFCHKXGQOGIX-SFHVURJKSA-N	0	3	318.461	2.807	20	30		DFEDHN
C=CCOc1cccc(CNC[C@H]2CCCN2c2cccnn2)c1	ZINC000360159824	428184747	/nfs/dbraw/zinc/18/47/47/428184747.db2.gz	VAKNLNQSRNUDNG-QGZVFWFLSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1OC	ZINC000413940708	428170820	/nfs/dbraw/zinc/17/08/20/428170820.db2.gz	SRBRWRHQEMETRP-UHFFFAOYSA-N	0	3	306.406	2.786	20	30		DFEDHN
C[C@@H]1C[C@H](CNC(=O)C(C#N)CCc2ccccc2)[C@@H](C)O1	ZINC000413979680	428177653	/nfs/dbraw/zinc/17/76/53/428177653.db2.gz	IXYUKEQIKKFNPF-TXCZRRACSA-N	0	3	300.402	2.689	20	30		DFEDHN
N#Cc1cccc(NC[C@H]2CCCN(Cc3cccnc3)C2)n1	ZINC000377800819	428230454	/nfs/dbraw/zinc/23/04/54/428230454.db2.gz	NNBCRERKXPZOKP-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
CN1CCC[C@]2(CCN(CC#Cc3cccc(Cl)c3)C2)C1=O	ZINC000370410338	428203479	/nfs/dbraw/zinc/20/34/79/428203479.db2.gz	NOKDCNKJQDQEDZ-GOSISDBHSA-N	0	3	316.832	2.636	20	30		DFEDHN
CN1CCC[C@@]2(CCN(CC#Cc3cccc(Cl)c3)C2)C1=O	ZINC000370410339	428204222	/nfs/dbraw/zinc/20/42/22/428204222.db2.gz	NOKDCNKJQDQEDZ-SFHVURJKSA-N	0	3	316.832	2.636	20	30		DFEDHN
N#Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)c[nH]1	ZINC000346679871	428270282	/nfs/dbraw/zinc/27/02/82/428270282.db2.gz	VCIBESNBMRNZJH-UHFFFAOYSA-N	0	3	322.412	2.802	20	30		DFEDHN
COc1ccc(C[C@H](C)CNCc2nc(C#N)cs2)cc1	ZINC000352847497	428279936	/nfs/dbraw/zinc/27/99/36/428279936.db2.gz	UKFIYWFQEFEREQ-LBPRGKRZSA-N	0	3	301.415	2.992	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)[C@@H]2C1	ZINC000356738996	428289165	/nfs/dbraw/zinc/28/91/65/428289165.db2.gz	NMEMLNWLYZIYDN-FGTMMUONSA-N	0	3	311.429	2.627	20	30		DFEDHN
C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)C1=CCN(C)CC1	ZINC000356748866	428292950	/nfs/dbraw/zinc/29/29/50/428292950.db2.gz	VNYCUOJDGITBQL-CRAIPNDOSA-N	0	3	311.429	2.841	20	30		DFEDHN
C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)c(F)c1	ZINC000414324931	428261408	/nfs/dbraw/zinc/26/14/08/428261408.db2.gz	JKSLFCILZLLSRR-GFCCVEGCSA-N	0	3	324.421	2.563	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H](c2ccnn2C)C1	ZINC000370845366	428307100	/nfs/dbraw/zinc/30/71/00/428307100.db2.gz	ZHPAZFZIOGNABH-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
COc1cc(CNC[C@H](CO)c2ccc(F)cc2)ccc1C#N	ZINC000414530509	428330375	/nfs/dbraw/zinc/33/03/75/428330375.db2.gz	QOFIRRUREYQZLP-MRXNPFEDSA-N	0	3	314.360	2.572	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(C#N)c(F)c3)C[C@@H]1CCCC2	ZINC000342175343	428335891	/nfs/dbraw/zinc/33/58/91/428335891.db2.gz	PSEUDFPENORNDN-MAUKXSAKSA-N	0	3	316.376	2.863	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2C[C@@H]2C(F)F)c(-c2ccncc2)n1	ZINC000342195752	428343376	/nfs/dbraw/zinc/34/33/76/428343376.db2.gz	FXXJONJDFRLAFZ-UONOGXRCSA-N	0	3	317.343	2.602	20	30		DFEDHN
N#Cc1ccc2nc(N3CCN([C@H]4CCSC4)CC3)ccc2c1	ZINC000378414113	428390091	/nfs/dbraw/zinc/39/00/91/428390091.db2.gz	AQBKNERSQZTENA-INIZCTEOSA-N	0	3	324.453	2.734	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371590428	428398565	/nfs/dbraw/zinc/39/85/65/428398565.db2.gz	NHTRGTBCGGKROV-WMZOPIPTSA-N	0	3	316.445	2.558	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1	ZINC000378473252	428406702	/nfs/dbraw/zinc/40/67/02/428406702.db2.gz	KKBMRVKQJUHSMJ-UHFFFAOYSA-N	0	3	322.412	2.543	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000372019093	428412481	/nfs/dbraw/zinc/41/24/81/428412481.db2.gz	RARFHNJMCJLFSR-INIZCTEOSA-N	0	3	300.402	2.729	20	30		DFEDHN
Cc1c(C#N)cccc1-c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000346904637	428366449	/nfs/dbraw/zinc/36/64/49/428366449.db2.gz	WNVZZJXVGZSANS-HUUCEWRRSA-N	0	3	321.384	2.772	20	30		DFEDHN
COc1ccc2c(c1)[C@@](O)(CNCc1ccc(C#N)cc1)CCC2	ZINC000378337652	428369335	/nfs/dbraw/zinc/36/93/35/428369335.db2.gz	WQFAKDVUWYVCER-FQEVSTJZSA-N	0	3	322.408	2.881	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(C(N)=O)nc1	ZINC000360650964	428383792	/nfs/dbraw/zinc/38/37/92/428383792.db2.gz	ZWPKJOKRTJPZNU-KRWDZBQOSA-N	0	3	320.396	2.609	20	30		DFEDHN
C=CCN(Cc1ccnn1C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371375412	428386869	/nfs/dbraw/zinc/38/68/69/428386869.db2.gz	VAHKDBZLXALREY-IBGZPJMESA-N	0	3	310.445	2.683	20	30		DFEDHN
C[C@H]1CC[C@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1	ZINC000378623464	428438886	/nfs/dbraw/zinc/43/88/86/428438886.db2.gz	MPKXJFCYJICGBU-KXBFYZLASA-N	0	3	311.429	2.687	20	30		DFEDHN
N#CCc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000342746600	428444409	/nfs/dbraw/zinc/44/44/09/428444409.db2.gz	FUQZDFQTJYAALA-PKOBYXMFSA-N	0	3	323.440	2.728	20	30		DFEDHN
C=CCCN(C)CC(=O)N(C)CCOc1cc(C)cc(C)c1	ZINC000342762913	428449583	/nfs/dbraw/zinc/44/95/83/428449583.db2.gz	HDYNVFUGOBGIPT-UHFFFAOYSA-N	0	3	304.434	2.649	20	30		DFEDHN
CC(C#N)C(=O)NC1CC(c2ccc(Br)cc2)C1	ZINC000360816995	428450566	/nfs/dbraw/zinc/45/05/66/428450566.db2.gz	JCAGTGVIMSLHDG-FJJSSXBZSA-N	0	3	307.191	2.971	20	30		DFEDHN
C=CCCC(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1	ZINC000372527939	428457356	/nfs/dbraw/zinc/45/73/56/428457356.db2.gz	VPPQWTZAZZMSKE-MAUKXSAKSA-N	0	3	318.465	2.618	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](N(C)Cc3cccc(C#N)c3)C2)nn1	ZINC000372585644	428468777	/nfs/dbraw/zinc/46/87/77/428468777.db2.gz	RABBQMAWRUAJAM-SFHVURJKSA-N	0	3	321.428	2.758	20	30		DFEDHN
COc1cc(CNC(=O)C(C)C#N)ccc1OC1CCCC1	ZINC000347043452	428420973	/nfs/dbraw/zinc/42/09/73/428420973.db2.gz	WIRMBLVPBVWSSL-LBPRGKRZSA-N	0	3	302.374	2.792	20	30		DFEDHN
COc1ccc(Br)cc1CN(C)C(=O)C(C)C#N	ZINC000347043892	428421937	/nfs/dbraw/zinc/42/19/37/428421937.db2.gz	FRYPBZSSVCGVGD-SECBINFHSA-N	0	3	311.179	2.576	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(c2ccc(N(C)C)cc2)CC1	ZINC000372273448	428427587	/nfs/dbraw/zinc/42/75/87/428427587.db2.gz	MHLRXKDZDXWEOE-HNNXBMFYSA-N	0	3	315.461	2.623	20	30		DFEDHN
CCN1CCN(c2cccc(NC(=O)c3ccc(C#N)o3)c2)CC1	ZINC000347067886	428432144	/nfs/dbraw/zinc/43/21/44/428432144.db2.gz	NELLCIMQQLWCHO-UHFFFAOYSA-N	0	3	324.384	2.545	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)C(C)C	ZINC000342900098	428485618	/nfs/dbraw/zinc/48/56/18/428485618.db2.gz	YWJFHTVSSCHSAC-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CCOCC)[C@@H](C)C2)cc1	ZINC000353361831	428503815	/nfs/dbraw/zinc/50/38/15/428503815.db2.gz	BOMIRMBCLFEAFY-KRWDZBQOSA-N	0	3	318.461	2.794	20	30		DFEDHN
COc1ccc(F)cc1CNCCOc1ccc(C#N)cc1	ZINC000360954049	428508436	/nfs/dbraw/zinc/50/84/36/428508436.db2.gz	KLIZGPDZHIIELL-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@H]2CCc3ccc(C#N)cc32)c1	ZINC000353412292	428527118	/nfs/dbraw/zinc/52/71/18/428527118.db2.gz	LIVXCVSAPQZSEO-IBGZPJMESA-N	0	3	319.408	2.874	20	30		DFEDHN
N#Cc1ccc(NCC2CCN(Cc3ccccc3F)CC2)nc1	ZINC000372608793	428474508	/nfs/dbraw/zinc/47/45/08/428474508.db2.gz	PRBPEXUUOVYDOQ-UHFFFAOYSA-N	0	3	324.403	3.416	20	30		DFEDHN
N#CC[C@@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1	ZINC000373483172	428587443	/nfs/dbraw/zinc/58/74/43/428587443.db2.gz	IQUYAYWJIUJSOR-ZWKOTPCHSA-N	0	3	311.429	2.771	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H]2c2ccccc2)CC1	ZINC000358197688	428587586	/nfs/dbraw/zinc/58/75/86/428587586.db2.gz	FXTLGCIPZACDFC-ROUUACIJSA-N	0	3	313.445	2.882	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCCCC1	ZINC000408021536	428592689	/nfs/dbraw/zinc/59/26/89/428592689.db2.gz	MTXBVOGXLIJFAG-XHSDSOJGSA-N	0	3	305.466	2.943	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F	ZINC000358307919	428593268	/nfs/dbraw/zinc/59/32/68/428593268.db2.gz	LDMMGLRCVJQXSP-CPCISQLKSA-N	0	3	320.698	2.668	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)CC[C@@H]2C)cc(OC)c1O	ZINC000353433483	428533661	/nfs/dbraw/zinc/53/36/61/428533661.db2.gz	GMDHEPLCEQFXHE-AWEZNQCLSA-N	0	3	304.434	2.655	20	30		DFEDHN
CC(C)(CCC#N)CNc1cccc(CN2CC[C@H](O)C2)c1	ZINC000361046528	428533706	/nfs/dbraw/zinc/53/37/06/428533706.db2.gz	YHPLFCMNJRSGML-KRWDZBQOSA-N	0	3	301.434	2.995	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)cc(OC)c1O	ZINC000361152870	428541809	/nfs/dbraw/zinc/54/18/09/428541809.db2.gz	IDGYDKJZLRWUSC-UONOGXRCSA-N	0	3	304.434	2.654	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(C#N)CC1)c1ccco1	ZINC000357512816	428543438	/nfs/dbraw/zinc/54/34/38/428543438.db2.gz	BZLHOMUNUGUMSK-HIFRSBDPSA-N	0	3	318.421	2.654	20	30		DFEDHN
C[C@@H]1CN(C)[C@@H](C)CN1Cc1cccc(OCCCC#N)c1	ZINC000361165508	428544467	/nfs/dbraw/zinc/54/44/67/428544467.db2.gz	JRGKTXCPEPXXAN-JKSUJKDBSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(C)C1CCC(C(C)(C)C)CC1	ZINC000353454260	428545650	/nfs/dbraw/zinc/54/56/50/428545650.db2.gz	JAGJSDASSANRPU-UHFFFAOYSA-N	0	3	309.454	2.535	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccccc2)CC1	ZINC000357579472	428549324	/nfs/dbraw/zinc/54/93/24/428549324.db2.gz	HKUDBPCWLYFMCY-CQSZACIVSA-N	0	3	304.459	2.934	20	30		DFEDHN
CC#CCCNC(=O)NCc1ccccc1CN1CCCCC1	ZINC000361226125	428550155	/nfs/dbraw/zinc/55/01/55/428550155.db2.gz	AOIGAEDZKCVUNH-UHFFFAOYSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCC[C@H](NC[C@@H](C)N1CCN(CC)CC1)c1ccco1	ZINC000353466341	428550568	/nfs/dbraw/zinc/55/05/68/428550568.db2.gz	YOQXALNFTWWJIF-SJORKVTESA-N	0	3	305.466	2.903	20	30		DFEDHN
CN1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1	ZINC000373375742	428560781	/nfs/dbraw/zinc/56/07/81/428560781.db2.gz	FVFTYDODTXSAAE-DOMZBBRYSA-N	0	3	305.447	2.797	20	30		DFEDHN
CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c(C#N)c2)C1	ZINC000343616887	428563422	/nfs/dbraw/zinc/56/34/22/428563422.db2.gz	APGMLQVPOMIXIP-UHFFFAOYSA-N	0	3	322.368	2.787	20	30		DFEDHN
N#Cc1ncn(C2CCN(CCCCC(F)(F)F)CC2)n1	ZINC000373400097	428566341	/nfs/dbraw/zinc/56/63/41/428566341.db2.gz	ONGLPLUAENJQDE-UHFFFAOYSA-N	0	3	301.316	2.519	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccc(OC)cc2)C1	ZINC000357844302	428569015	/nfs/dbraw/zinc/56/90/15/428569015.db2.gz	YYJMHRZDUGSUIZ-DOTOQJQBSA-N	0	3	316.445	2.640	20	30		DFEDHN
CC(C)(C)OC(=O)NC1CC(NCc2ccc(C#N)c(F)c2)C1	ZINC000404742109	428571697	/nfs/dbraw/zinc/57/16/97/428571697.db2.gz	BSOVPHYKSZZVDJ-UHFFFAOYSA-N	0	3	319.380	2.843	20	30		DFEDHN
CCN1CCC(N(C)C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000343826015	428574332	/nfs/dbraw/zinc/57/43/32/428574332.db2.gz	JIDRAEWVEOADEL-UHFFFAOYSA-N	0	3	317.458	2.593	20	30		DFEDHN
C[C@H](CCCOc1ccccc1C(N)=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000347436162	428577820	/nfs/dbraw/zinc/57/78/20/428577820.db2.gz	LPVMAHJJRXXWLS-IIAWOOMASA-N	0	3	315.417	2.615	20	30		DFEDHN
CN(C(=O)CCCC#N)c1ccc(OCCN2CCCC2)cc1	ZINC000361959293	428608325	/nfs/dbraw/zinc/60/83/25/428608325.db2.gz	LFBWZCLGEKVMMQ-UHFFFAOYSA-N	0	3	315.417	2.818	20	30		DFEDHN
C=C(CC)CN1CCCN(c2ccc(C(=O)OCC)cn2)CC1	ZINC000358620578	428611620	/nfs/dbraw/zinc/61/16/20/428611620.db2.gz	NMVNAACQJYXYHY-UHFFFAOYSA-N	0	3	317.433	2.737	20	30		DFEDHN
C=CCN(CCCc1nc(-c2cccs2)no1)CCOC	ZINC000362051184	428611708	/nfs/dbraw/zinc/61/17/08/428611708.db2.gz	ZIDNTZOKTIENMF-UHFFFAOYSA-N	0	3	307.419	2.865	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1	ZINC000415804409	428613931	/nfs/dbraw/zinc/61/39/31/428613931.db2.gz	KWCNQCMFOWOKJK-ZWKOTPCHSA-N	0	3	320.396	2.825	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCC(F)(F)CC1	ZINC000347611908	428619295	/nfs/dbraw/zinc/61/92/95/428619295.db2.gz	DYQXZDBGRYYQEI-GFCCVEGCSA-N	0	3	301.381	2.504	20	30		DFEDHN
CN(CC(=O)NCc1cccc(C#N)c1)C1CCC(F)(F)CC1	ZINC000347624057	428620585	/nfs/dbraw/zinc/62/05/85/428620585.db2.gz	ZHVANFBOUJKRSY-UHFFFAOYSA-N	0	3	321.371	2.684	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)cc1)CCc1ccccc1O	ZINC000344183480	428627406	/nfs/dbraw/zinc/62/74/06/428627406.db2.gz	AVJBJUAXSFIXTO-UHFFFAOYSA-N	0	3	323.396	2.767	20	30		DFEDHN
C[C@@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1cccc(C#N)c1	ZINC000362118661	428628180	/nfs/dbraw/zinc/62/81/80/428628180.db2.gz	OYQLFFXXYYASGE-CABCVRRESA-N	0	3	313.445	2.850	20	30		DFEDHN
COc1cc(CN[C@H](C)c2ccc(NC(N)=O)cc2)ccc1C#N	ZINC000353623224	428629434	/nfs/dbraw/zinc/62/94/34/428629434.db2.gz	OJBQKDAASQYKMO-GFCCVEGCSA-N	0	3	324.384	2.908	20	30		DFEDHN
C=CCOCCCN(C)Cc1cc(Br)cn1C	ZINC000348062342	428636892	/nfs/dbraw/zinc/63/68/92/428636892.db2.gz	UROBISYKAYJZDW-UHFFFAOYSA-N	0	3	301.228	2.812	20	30		DFEDHN
COCCN1[C@H](C)CN(c2cc(C#N)nc3ccccc32)C[C@@H]1C	ZINC000131925252	274034719	/nfs/dbraw/zinc/03/47/19/274034719.db2.gz	AOHJYOYTUZEWCX-GASCZTMLSA-N	0	3	324.428	2.652	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCO)c(OC(F)F)c1	ZINC000348177589	428641498	/nfs/dbraw/zinc/64/14/98/428641498.db2.gz	CDYAGBBCSDMKAV-GXTWGEPZSA-N	0	3	310.344	2.800	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H]([C@@H](C)CC)C1=O)C(C)C	ZINC000348139207	428641771	/nfs/dbraw/zinc/64/17/71/428641771.db2.gz	BOMXJWDAOSDBGC-ARFHVFGLSA-N	0	3	321.465	2.652	20	30		DFEDHN
Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000348067079	428636043	/nfs/dbraw/zinc/63/60/43/428636043.db2.gz	IHSOJOOBSXXKGI-GOSISDBHSA-N	0	3	303.365	2.865	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000272566735	274206034	/nfs/dbraw/zinc/20/60/34/274206034.db2.gz	KPBCUCVUOHYVHF-LBPRGKRZSA-N	0	3	318.396	2.891	20	30		DFEDHN
CN(C)C(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1	ZINC000358740676	428652026	/nfs/dbraw/zinc/65/20/26/428652026.db2.gz	FRAMUTSFQUVNBJ-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
Cc1c([C@H]2CCCN2CCCC2(C#N)CCOCC2)cnn1C	ZINC000374074244	428661848	/nfs/dbraw/zinc/66/18/48/428661848.db2.gz	JDZQGZSTFYKCDQ-QGZVFWFLSA-N	0	3	316.449	2.966	20	30		DFEDHN
O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1CC#Cc1cccc(Cl)c1	ZINC000374072850	428661936	/nfs/dbraw/zinc/66/19/36/428661936.db2.gz	UOUIAFWXFJVQSG-KZNAEPCWSA-N	0	3	319.832	2.553	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](CCO)C2)cc1OCCCC#N	ZINC000353718631	428676353	/nfs/dbraw/zinc/67/63/53/428676353.db2.gz	NOJHUWOYMGNIMP-HNNXBMFYSA-N	0	3	318.417	2.582	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1c1nc(C(F)(F)F)ccc1C#N	ZINC000115518175	274374681	/nfs/dbraw/zinc/37/46/81/274374681.db2.gz	RPPBFJVMZJHRFS-ZYHUDNBSSA-N	0	3	310.323	2.645	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C)CC1	ZINC000344838083	428710812	/nfs/dbraw/zinc/71/08/12/428710812.db2.gz	BVSBZNIXOVVPJK-UHFFFAOYSA-N	0	3	313.445	2.885	20	30		DFEDHN
CN(C)C1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000416306462	428713822	/nfs/dbraw/zinc/71/38/22/428713822.db2.gz	FVZPTOBZMOFVLE-UHFFFAOYSA-N	0	3	324.428	2.769	20	30		DFEDHN
CC(C)n1cc([C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2CO)cn1	ZINC000344867600	428715100	/nfs/dbraw/zinc/71/51/00/428715100.db2.gz	SXHYSADZOBYDMV-MOPGFXCFSA-N	0	3	324.428	2.544	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000362369370	428720759	/nfs/dbraw/zinc/72/07/59/428720759.db2.gz	FZRGKBQZXZGLGG-HNNXBMFYSA-N	0	3	301.434	2.567	20	30		DFEDHN
C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc(C#N)c1	ZINC000348529050	428771290	/nfs/dbraw/zinc/77/12/90/428771290.db2.gz	JNCWWTKEARBGPQ-ZLKJLUDKSA-N	0	3	323.343	2.635	20	30		DFEDHN
CCCN(C[C@@H]1CCCCO1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000411362241	428781980	/nfs/dbraw/zinc/78/19/80/428781980.db2.gz	BGZUPNMXRYPDGZ-XYJFISCASA-N	0	3	323.481	2.710	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC)C[C@H]2C)cc(OC)c1O	ZINC000348556827	428788486	/nfs/dbraw/zinc/78/84/86/428788486.db2.gz	PWVUENURTFOFQV-CQSZACIVSA-N	0	3	304.434	2.655	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CCc2cncs2)CC1	ZINC000411169247	428752083	/nfs/dbraw/zinc/75/20/83/428752083.db2.gz	SJBJCYSMYZRJIK-UHFFFAOYSA-N	0	3	312.442	2.770	20	30		DFEDHN
C[C@H]1C[C@H](N2CCOCC2)CN1CCC1(C#N)CCCCC1	ZINC000411724166	428848334	/nfs/dbraw/zinc/84/83/34/428848334.db2.gz	YLBSHCSSJMQIPD-IRXDYDNUSA-N	0	3	305.466	2.646	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000363047428	428849321	/nfs/dbraw/zinc/84/93/21/428849321.db2.gz	SQDQVZFMSIVWEY-LSDHHAIUSA-N	0	3	319.474	2.671	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN(Cc2cccnc2)C2CC2)c1	ZINC000411412635	428794991	/nfs/dbraw/zinc/79/49/91/428794991.db2.gz	FSHQRQNTKYUOMC-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000362695550	428798567	/nfs/dbraw/zinc/79/85/67/428798567.db2.gz	TYOPJGWNYPSMOK-UXLLHSPISA-N	0	3	301.434	2.913	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000362674306	428799571	/nfs/dbraw/zinc/79/95/71/428799571.db2.gz	WMUIERMQSHALNV-OAHLLOKOSA-N	0	3	323.481	2.674	20	30		DFEDHN
C=CCN(C(=O)[C@H]1CN(C)C[C@H]1C)c1nc2c(s1)CCCC2	ZINC000362855214	428809403	/nfs/dbraw/zinc/80/94/03/428809403.db2.gz	LQIYRUPCMKQTIZ-OLZOCXBDSA-N	0	3	319.474	2.739	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)C[C@@H](C)O	ZINC000348699097	428815238	/nfs/dbraw/zinc/81/52/38/428815238.db2.gz	AIIIAMNJUQBZSH-CQSZACIVSA-N	0	3	306.406	2.580	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C2)nc1	ZINC000411757162	428852796	/nfs/dbraw/zinc/85/27/96/428852796.db2.gz	KYIXVKPURGZDQC-RCCFBDPRSA-N	0	3	305.381	2.962	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	ZINC000359104630	428818470	/nfs/dbraw/zinc/81/84/70/428818470.db2.gz	RTYXPCJHLNUNTD-HUUCEWRRSA-N	0	3	302.418	2.740	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)cc1	ZINC000359107545	428821148	/nfs/dbraw/zinc/82/11/48/428821148.db2.gz	VOOVSDLPPZXUEG-GOSISDBHSA-N	0	3	314.429	2.742	20	30		DFEDHN
C[C@@H](CCC#N)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000411596586	428823390	/nfs/dbraw/zinc/82/33/90/428823390.db2.gz	MIXPVRFIUOCKIP-IHRRRGAJSA-N	0	3	310.442	2.680	20	30		DFEDHN
Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H](C)CCC#N)cs1	ZINC000411622419	428824745	/nfs/dbraw/zinc/82/47/45/428824745.db2.gz	YSARJZIQLMNFOQ-INWMFGNUSA-N	0	3	324.469	2.988	20	30		DFEDHN
CCCCC[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000362963224	428827625	/nfs/dbraw/zinc/82/76/25/428827625.db2.gz	JPHUAVYFMRSMMV-INIZCTEOSA-N	0	3	304.438	2.687	20	30		DFEDHN
CCN(CC(=O)OC(C)(C)C)C1CCN([C@@H](C)CCC#N)CC1	ZINC000411628227	428828076	/nfs/dbraw/zinc/82/80/76/428828076.db2.gz	RNNOMDUASPJRHS-HNNXBMFYSA-N	0	3	323.481	2.807	20	30		DFEDHN
C=C(CC)CN1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000362970215	428829999	/nfs/dbraw/zinc/82/99/99/428829999.db2.gz	SGNZCQHZDUJLIJ-MRXNPFEDSA-N	0	3	318.465	2.691	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N(C)[C@@H](C)c1ccccc1	ZINC000411644616	428830354	/nfs/dbraw/zinc/83/03/54/428830354.db2.gz	RFTNJYRBQLSVQT-KRWDZBQOSA-N	0	3	317.477	2.646	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000411648125	428833064	/nfs/dbraw/zinc/83/30/64/428833064.db2.gz	ZLEMNHVWMUDENJ-ROUUACIJSA-N	0	3	321.509	2.607	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N1CCC[C@H]2CCCC[C@@H]21	ZINC000411648123	428834512	/nfs/dbraw/zinc/83/45/12/428834512.db2.gz	ZLEMNHVWMUDENJ-MSOLQXFVSA-N	0	3	321.509	2.607	20	30		DFEDHN
CCN1CC[C@H]2OCCN(CCC3(C#N)CCCCC3)[C@H]2C1	ZINC000411770411	428854755	/nfs/dbraw/zinc/85/47/55/428854755.db2.gz	YFXRKNDAWUYLFU-DLBZAZTESA-N	0	3	305.466	2.646	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@H]2CCN(CC(F)F)C2)c1	ZINC000418139457	428887152	/nfs/dbraw/zinc/88/71/52/428887152.db2.gz	URLDWAAAGDRLHU-HNNXBMFYSA-N	0	3	323.387	2.798	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000359256687	428890418	/nfs/dbraw/zinc/89/04/18/428890418.db2.gz	UDROQUVYQDUNQC-CABCVRRESA-N	0	3	317.481	2.726	20	30		DFEDHN
Cc1nc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)n[nH]1	ZINC000412044449	428922971	/nfs/dbraw/zinc/92/29/71/428922971.db2.gz	QNVQZYHHOSFKGR-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1n[nH]c([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)n1	ZINC000412044449	428922978	/nfs/dbraw/zinc/92/29/78/428922978.db2.gz	QNVQZYHHOSFKGR-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
Cc1nnc([C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)[nH]1	ZINC000412044449	428922984	/nfs/dbraw/zinc/92/29/84/428922984.db2.gz	QNVQZYHHOSFKGR-CQSZACIVSA-N	0	3	300.793	2.608	20	30		DFEDHN
C=CCN(C[C@H](CC)OC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000419210492	428928730	/nfs/dbraw/zinc/92/87/30/428928730.db2.gz	VCGTYHAGUPNEGS-YOEHRIQHSA-N	0	3	315.421	2.636	20	30		DFEDHN
C=CCN(C[C@H](CC)OC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000419210489	428929652	/nfs/dbraw/zinc/92/96/52/428929652.db2.gz	VCGTYHAGUPNEGS-PBHICJAKSA-N	0	3	315.421	2.636	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)o1)N(C)C	ZINC000349259348	428952873	/nfs/dbraw/zinc/95/28/73/428952873.db2.gz	DVAPNEGLXALWGJ-SUMWQHHRSA-N	0	3	311.385	2.881	20	30		DFEDHN
C[C@]1(F)CNCCN(c2cc(C#N)ccc2C(F)(F)F)C1	ZINC000420259806	428953619	/nfs/dbraw/zinc/95/36/19/428953619.db2.gz	IFHOPEYXRZHYRL-ZDUSSCGKSA-N	0	3	301.287	2.715	20	30		DFEDHN
CCCCCCCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1	ZINC000363639410	428960760	/nfs/dbraw/zinc/96/07/60/428960760.db2.gz	XPYFNQWHDQWJBS-QGZVFWFLSA-N	0	3	309.498	2.585	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000421710007	429020061	/nfs/dbraw/zinc/02/00/61/429020061.db2.gz	IHGLJUGNVZUDAI-KRWDZBQOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)NCC(C)(C)C#N)c1ccco1	ZINC000355089131	429027347	/nfs/dbraw/zinc/02/73/47/429027347.db2.gz	VZJZSUXLDUXNMK-QWHCGFSZSA-N	0	3	306.410	2.558	20	30		DFEDHN
C[C@H](N[C@H]1COCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451806444	428982705	/nfs/dbraw/zinc/98/27/05/428982705.db2.gz	DRMYDMJPUQIWSL-HZMBPMFUSA-N	0	3	321.808	2.553	20	30		DFEDHN
N#CC(C(=O)c1ccn(Cc2ccccc2)c1)c1ccncn1	ZINC000354464635	428986774	/nfs/dbraw/zinc/98/67/74/428986774.db2.gz	JVYAXZGKGOYPHS-MRXNPFEDSA-N	0	3	302.337	2.816	20	30		DFEDHN
CC1(C)COC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000451816419	428987079	/nfs/dbraw/zinc/98/70/79/428987079.db2.gz	ZEAOETAXDTVRFY-CQSZACIVSA-N	0	3	313.319	2.951	20	30		DFEDHN
N#CC(C(=O)c1ccc(Br)cc1)c1ccncn1	ZINC000354467224	428988094	/nfs/dbraw/zinc/98/80/94/428988094.db2.gz	KXOIEEOFIINGFI-LLVKDONJSA-N	0	3	302.131	2.729	20	30		DFEDHN
CC(C)C[C@@H](CNCc1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000421336608	428989446	/nfs/dbraw/zinc/98/94/46/428989446.db2.gz	WWJXXNNWLMXBKR-KRWDZBQOSA-N	0	3	319.424	2.534	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCC#Cc1ccccc1	ZINC000354782431	429006718	/nfs/dbraw/zinc/00/67/18/429006718.db2.gz	AGNGWAACPRPJJZ-SFHVURJKSA-N	0	3	313.445	2.602	20	30		DFEDHN
C=CC[C@@H](CC)N[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000354814699	429011283	/nfs/dbraw/zinc/01/12/83/429011283.db2.gz	ZPDZKZZAAGGHSD-OLZOCXBDSA-N	0	3	311.223	2.920	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1	ZINC000424084697	429089987	/nfs/dbraw/zinc/08/99/87/429089987.db2.gz	CESBZVYUXBAGKE-HNNXBMFYSA-N	0	3	305.809	2.852	20	30		DFEDHN
Cc1cc(-c2csc(NC(=O)[C@@H](N)CCCC#N)n2)c(C)o1	ZINC000424106385	429091562	/nfs/dbraw/zinc/09/15/62/429091562.db2.gz	XCGZLFMAKHIQLG-LBPRGKRZSA-N	0	3	318.402	2.980	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(OCc2ccccn2)c1	ZINC000424125510	429095009	/nfs/dbraw/zinc/09/50/09/429095009.db2.gz	ADKGHFWFSSNSCM-KRWDZBQOSA-N	0	3	324.384	2.620	20	30		DFEDHN
COCCCN1CCCN(Cc2ccc(Cl)cc2C#N)CC1	ZINC000376340070	429097885	/nfs/dbraw/zinc/09/78/85/429097885.db2.gz	JMMCWOOSTITFTR-UHFFFAOYSA-N	0	3	321.852	2.756	20	30		DFEDHN
COC1([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)CCOCC1	ZINC000421859516	429040180	/nfs/dbraw/zinc/04/01/80/429040180.db2.gz	FSKOLDKEPIMQSI-CHWSQXEVSA-N	0	3	306.381	2.932	20	30		DFEDHN
C=CCn1c([C@@H]2CCCS2)nnc1N1CCCN(CC)CC1	ZINC000424132844	429096529	/nfs/dbraw/zinc/09/65/29/429096529.db2.gz	YKSROBNITLSQSL-AWEZNQCLSA-N	0	3	321.494	2.564	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(F)F	ZINC000355413213	429044153	/nfs/dbraw/zinc/04/41/53/429044153.db2.gz	CVTUJTFOZOFREB-UHFFFAOYSA-N	0	3	316.421	2.850	20	30		DFEDHN
Cc1nc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)ccc1C#N	ZINC000452344166	429097373	/nfs/dbraw/zinc/09/73/73/429097373.db2.gz	MTBMGDOWAOMQCW-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
CCCN1CCCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000376218879	429078974	/nfs/dbraw/zinc/07/89/74/429078974.db2.gz	CWCGGCBHTWKWPN-UHFFFAOYSA-N	0	3	317.824	2.781	20	30		DFEDHN
N#Cc1c(N2CC[C@@H](N3CCCC3)C2)nc2cc(Cl)ccn12	ZINC000376220647	429079145	/nfs/dbraw/zinc/07/91/45/429079145.db2.gz	JYSMGPKHQJEWHK-CYBMUJFWSA-N	0	3	315.808	2.534	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(F)ccc(Br)c2C1	ZINC000452190570	429080641	/nfs/dbraw/zinc/08/06/41/429080641.db2.gz	IIJTWIWCJOJITK-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=CCC[C@H](CC)N1CCC(C(=O)OCC)([S@@](C)=O)CC1	ZINC000453290737	429147711	/nfs/dbraw/zinc/14/77/11/429147711.db2.gz	UWSMLNMAZPCPJO-LHSJRXKWSA-N	0	3	315.479	2.507	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(C#N)c(OC)c1)CO2	ZINC000453235858	429147778	/nfs/dbraw/zinc/14/77/78/429147778.db2.gz	ATBOOKIDBZZKLN-INIZCTEOSA-N	0	3	324.380	2.669	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)s1	ZINC000487296764	429148172	/nfs/dbraw/zinc/14/81/72/429148172.db2.gz	OUINSJBSAHHQJX-CYBMUJFWSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000453448281	429150699	/nfs/dbraw/zinc/15/06/99/429150699.db2.gz	POFYGENLXHPJBW-IIAWOOMASA-N	0	3	315.465	2.508	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453422712	429151324	/nfs/dbraw/zinc/15/13/24/429151324.db2.gz	ARXJZVMTYXFFAU-OAHLLOKOSA-N	0	3	305.470	2.726	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc(C(C)(C)C)cs1	ZINC000424161783	429103035	/nfs/dbraw/zinc/10/30/35/429103035.db2.gz	WCSGPUNDKQKGRZ-GHMZBOCLSA-N	0	3	308.451	2.639	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccccc1	ZINC000424194381	429108796	/nfs/dbraw/zinc/10/87/96/429108796.db2.gz	XFVKMYMOVCACQS-IRXDYDNUSA-N	0	3	301.434	2.639	20	30		DFEDHN
CC(C)[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000434867207	429114194	/nfs/dbraw/zinc/11/41/94/429114194.db2.gz	ZOHSDAVUGZDVOG-QZTJIDSGSA-N	0	3	322.412	2.509	20	30		DFEDHN
N#Cc1cccc(C2(C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)c1	ZINC000435012004	429118680	/nfs/dbraw/zinc/11/86/80/429118680.db2.gz	NIDCUPNVJHFGHN-SFHVURJKSA-N	0	3	323.440	2.677	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435015606	429119294	/nfs/dbraw/zinc/11/92/94/429119294.db2.gz	INCRRJFYKDNCGF-UHFFFAOYSA-N	0	3	323.440	2.747	20	30		DFEDHN
Cc1cc(NCCN2CCC[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413055848	429129100	/nfs/dbraw/zinc/12/91/00/429129100.db2.gz	BVCBEXGDARRMIY-GFCCVEGCSA-N	0	3	302.378	2.919	20	30		DFEDHN
N#Cc1cccnc1N1CCCN(C[C@H]2Cc3ccccc32)CC1	ZINC000376559862	429136584	/nfs/dbraw/zinc/13/65/84/429136584.db2.gz	ZZIZSVGMEZIUPN-GOSISDBHSA-N	0	3	318.424	2.805	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@H](OCC3CC3)C2)cc1	ZINC000494645780	429138155	/nfs/dbraw/zinc/13/81/55/429138155.db2.gz	DHCHHNGQVRTFTN-SFHVURJKSA-N	0	3	300.402	2.828	20	30		DFEDHN
COC[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000452790421	429139976	/nfs/dbraw/zinc/13/99/76/429139976.db2.gz	CIAXZXVTZNGTQJ-AEFFLSMTSA-N	0	3	300.402	2.644	20	30		DFEDHN
CC[C@H](C)[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC	ZINC000452803498	429140242	/nfs/dbraw/zinc/14/02/42/429140242.db2.gz	HFTHGJOJONNZOV-UAGQMJEPSA-N	0	3	302.418	2.936	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000364024867	429159719	/nfs/dbraw/zinc/15/97/19/429159719.db2.gz	YLJLREVYMYCVOS-UHFFFAOYSA-N	0	3	321.371	2.640	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000454340215	429165046	/nfs/dbraw/zinc/16/50/46/429165046.db2.gz	NFZDIGGOVFTJRJ-QGZVFWFLSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCC2CCOCC2)CC1	ZINC000454464968	429165660	/nfs/dbraw/zinc/16/56/60/429165660.db2.gz	OGVHBWHOEUYRIC-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCOC(C)(C)C2)CC1	ZINC000454457252	429166001	/nfs/dbraw/zinc/16/60/01/429166001.db2.gz	DYMSHTAIDPRZTI-HNNXBMFYSA-N	0	3	323.481	2.531	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000364010295	429158069	/nfs/dbraw/zinc/15/80/69/429158069.db2.gz	CDUXNZCSCAQMMI-GJZGRUSLSA-N	0	3	319.355	2.535	20	30		DFEDHN
C=C(C)CCNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000453883511	429158677	/nfs/dbraw/zinc/15/86/77/429158677.db2.gz	ILHLUWIGEYTHNY-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
C=C(CC)CNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000454866323	429173910	/nfs/dbraw/zinc/17/39/10/429173910.db2.gz	DULRMIZCEPERIW-QGZVFWFLSA-N	0	3	301.434	2.774	20	30		DFEDHN
Cc1nc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C#N	ZINC000488109037	429176802	/nfs/dbraw/zinc/17/68/02/429176802.db2.gz	TXMSUENOIUEFOA-QAPCUYQASA-N	0	3	306.413	3.509	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2ccc(C#N)cc2)C1	ZINC000436091269	429180556	/nfs/dbraw/zinc/18/05/56/429180556.db2.gz	IKFVXZKMDJBERZ-UHFFFAOYSA-N	0	3	300.406	2.802	20	30		DFEDHN
C=CCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000455341061	429185902	/nfs/dbraw/zinc/18/59/02/429185902.db2.gz	WQPUHBITKJZYJM-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CCNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000455328166	429186574	/nfs/dbraw/zinc/18/65/74/429186574.db2.gz	QYXSRUVJZMUUDL-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)N(C)C1CC1	ZINC000455388350	429187734	/nfs/dbraw/zinc/18/77/34/429187734.db2.gz	UIXMHULWGNTBQC-CQSZACIVSA-N	0	3	313.445	2.726	20	30		DFEDHN
C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)N(C)C1CC1	ZINC000455388348	429188445	/nfs/dbraw/zinc/18/84/45/429188445.db2.gz	UIXMHULWGNTBQC-AWEZNQCLSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000424802726	429193258	/nfs/dbraw/zinc/19/32/58/429193258.db2.gz	XTAMHRSOHUGDIJ-KRWDZBQOSA-N	0	3	315.461	2.964	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H](C)C1	ZINC000488745642	429194291	/nfs/dbraw/zinc/19/42/91/429194291.db2.gz	DUAFQOFTQNBCKY-KHYOSLBOSA-N	0	3	324.472	2.999	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000488927066	429207593	/nfs/dbraw/zinc/20/75/93/429207593.db2.gz	CFKONHXGRQXBLI-AEFFLSMTSA-N	0	3	323.440	2.924	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1	ZINC000424974705	429214290	/nfs/dbraw/zinc/21/42/90/429214290.db2.gz	FOGKNKYHMAGYLN-FUHWJXTLSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCCCS(=O)(=O)NC[C@@H]1CCCCN1CCCC	ZINC000489269476	429225892	/nfs/dbraw/zinc/22/58/92/429225892.db2.gz	PCKNLGCIWHPPNW-HNNXBMFYSA-N	0	3	302.484	2.527	20	30		DFEDHN
COc1cc(CNCCOc2cccc(F)c2)ccc1C#N	ZINC000440810429	429228539	/nfs/dbraw/zinc/22/85/39/429228539.db2.gz	VTBIIEGBYRBKGV-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
Cn1cc(-c2cccc(CNCc3cc(C#N)n(C)c3)c2)cn1	ZINC000364583397	429228846	/nfs/dbraw/zinc/22/88/46/429228846.db2.gz	SOLIZWKEQBJVJA-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCCO[C@H](C)C1)C(C)C	ZINC000171308155	275425460	/nfs/dbraw/zinc/42/54/60/275425460.db2.gz	OAOFMARPJIGJLW-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](OC)C[C@@H]1C	ZINC000441357063	429230796	/nfs/dbraw/zinc/23/07/96/429230796.db2.gz	MYEJFJDOOLZQCQ-JQHSSLGASA-N	0	3	319.445	2.654	20	30		DFEDHN
CCNC(=O)OC[C@H]1CCCCN1Cc1ccc(CC#N)cc1	ZINC000495616046	429231529	/nfs/dbraw/zinc/23/15/29/429231529.db2.gz	KLLPKJVKQXLNIJ-QGZVFWFLSA-N	0	3	315.417	2.853	20	30		DFEDHN
C=CCCCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495281445	429197059	/nfs/dbraw/zinc/19/70/59/429197059.db2.gz	NEJIVESJAGWZEK-LSDHHAIUSA-N	0	3	312.454	2.957	20	30		DFEDHN
C[C@H]1[C@@H](CO)CCN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000488765208	429197419	/nfs/dbraw/zinc/19/74/19/429197419.db2.gz	SNLWNTHEJDHHRW-GXTWGEPZSA-N	0	3	313.319	2.639	20	30		DFEDHN
C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CCOCC1	ZINC000424834892	429198208	/nfs/dbraw/zinc/19/82/08/429198208.db2.gz	ARZUMMWIIDYFEP-GVDBMIGSSA-N	0	3	320.477	2.548	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)c1	ZINC000365244053	429286922	/nfs/dbraw/zinc/28/69/22/429286922.db2.gz	RZJPPQFOHYCNJW-HNNXBMFYSA-N	0	3	309.417	2.534	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C1	ZINC000442715169	429234123	/nfs/dbraw/zinc/23/41/23/429234123.db2.gz	ZGAIYRNESDMYOQ-WMLDXEAASA-N	0	3	323.396	2.991	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)NCC1CCC(C#N)CC1	ZINC000442731065	429234594	/nfs/dbraw/zinc/23/45/94/429234594.db2.gz	RXGQETXDWGAKRH-UHFFFAOYSA-N	0	3	308.470	2.546	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCCCC1	ZINC000495631145	429235201	/nfs/dbraw/zinc/23/52/01/429235201.db2.gz	LJYOVKHQTPMIKE-LSDHHAIUSA-N	0	3	321.421	2.540	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H]2CCN(CCCc3ccccc3)C2=O)C1	ZINC000442849465	429239466	/nfs/dbraw/zinc/23/94/66/429239466.db2.gz	OAXGWTSPKRSQNC-SQNIBIBYSA-N	0	3	311.429	2.502	20	30		DFEDHN
COc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)ccc1C#N	ZINC000442887991	429240799	/nfs/dbraw/zinc/24/07/99/429240799.db2.gz	CPMPZDQEXSKUBW-SJORKVTESA-N	0	3	300.402	2.815	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CC2)C(C)(C)C1	ZINC000495659235	429241143	/nfs/dbraw/zinc/24/11/43/429241143.db2.gz	RMLOPFVVIGSXMN-CYBMUJFWSA-N	0	3	307.438	2.915	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@H]2CC[C@H](C#N)C2)C1	ZINC000495661885	429242489	/nfs/dbraw/zinc/24/24/89/429242489.db2.gz	NLEAEEPJZLWECL-GRDNDAEWSA-N	0	3	307.438	2.915	20	30		DFEDHN
COc1cc(CNC[C@@](C)(CO)Cc2ccccc2)ccc1C#N	ZINC000443069103	429246297	/nfs/dbraw/zinc/24/62/97/429246297.db2.gz	WZIHMYOCCMPGEF-FQEVSTJZSA-N	0	3	324.424	2.898	20	30		DFEDHN
Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)c(C#N)cn1	ZINC000425212270	429246982	/nfs/dbraw/zinc/24/69/82/429246982.db2.gz	ZQZXZIUNSJEBBK-OAHLLOKOSA-N	0	3	306.413	2.542	20	30		DFEDHN
CN(C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1)C(=O)OC(C)(C)C	ZINC000495728267	429254540	/nfs/dbraw/zinc/25/45/40/429254540.db2.gz	KVXJGRNQXSVYCA-ILXRZTDVSA-N	0	3	307.438	2.867	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3cccc(F)c3n2C)CC1	ZINC000443514128	429254636	/nfs/dbraw/zinc/25/46/36/429254636.db2.gz	FGGSWPSPYYJDSU-UHFFFAOYSA-N	0	3	302.397	3.165	20	30		DFEDHN
C=C(C)CCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495746604	429257079	/nfs/dbraw/zinc/25/70/79/429257079.db2.gz	NBKLVJJXUXVQJU-GJZGRUSLSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=C(C)CCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495746607	429258214	/nfs/dbraw/zinc/25/82/14/429258214.db2.gz	NBKLVJJXUXVQJU-LSDHHAIUSA-N	0	3	312.454	2.957	20	30		DFEDHN
COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)c(C)c1)C2	ZINC000443998042	429262565	/nfs/dbraw/zinc/26/25/65/429262565.db2.gz	ZILULQRWQKFLNP-KRWDZBQOSA-N	0	3	308.381	2.969	20	30		DFEDHN
COc1cccc(CNC2CCN(c3ccc(C#N)cc3)CC2)n1	ZINC000364768726	429263937	/nfs/dbraw/zinc/26/39/37/429263937.db2.gz	KJBKDLHOLFITBT-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
C=CCCCS(=O)(=O)N(CCN1CCCCCC1)C(C)C	ZINC000489893107	429265531	/nfs/dbraw/zinc/26/55/31/429265531.db2.gz	SPYZOPQVVGUVDU-UHFFFAOYSA-N	0	3	316.511	2.869	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)sn1)C(C)C	ZINC000444226124	429267978	/nfs/dbraw/zinc/26/79/78/429267978.db2.gz	WWOGVZLBNAQYPC-HNNXBMFYSA-N	0	3	307.463	2.880	20	30		DFEDHN
C=CCOCCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1	ZINC000495796591	429268159	/nfs/dbraw/zinc/26/81/59/429268159.db2.gz	WWJSDFGPKGHVDY-UHFFFAOYSA-N	0	3	312.454	2.768	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C	ZINC000444773642	429277500	/nfs/dbraw/zinc/27/75/00/429277500.db2.gz	FDWQDVQVDCHBDV-XHSDSOJGSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H](CC(C)C)CN(C)C)cc1	ZINC000448802300	429319651	/nfs/dbraw/zinc/31/96/51/429319651.db2.gz	UXJDRLCBQNMDNC-KRWDZBQOSA-N	0	3	318.461	2.886	20	30		DFEDHN
C#CCN(C)CCCN[C@H](c1ccc(F)cc1)c1cccnc1	ZINC000491073468	429323407	/nfs/dbraw/zinc/32/34/07/429323407.db2.gz	ZNPMPLJXPJLBQV-LJQANCHMSA-N	0	3	311.404	2.855	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2nc3c(cccc3Cl)[nH]2)CC1	ZINC000491097184	429324579	/nfs/dbraw/zinc/32/45/79/429324579.db2.gz	ZZMLFWQITTXLDH-UHFFFAOYSA-N	0	3	316.792	2.500	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1SCC=C	ZINC000491264015	429341432	/nfs/dbraw/zinc/34/14/32/429341432.db2.gz	DFYCPXXIFHCEAE-UHFFFAOYSA-N	0	3	302.443	2.650	20	30		DFEDHN
C#C[C@H](CC)NCc1cc(OC)c(OCC(F)F)c(OC)c1	ZINC000491275825	429342756	/nfs/dbraw/zinc/34/27/56/429342756.db2.gz	GFUCNXFNSVRNDD-GFCCVEGCSA-N	0	3	313.344	2.849	20	30		DFEDHN
C#C[C@@H](C)N(C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C	ZINC000491286926	429344193	/nfs/dbraw/zinc/34/41/93/429344193.db2.gz	JZRLIGSBQRGVGY-CQSZACIVSA-N	0	3	324.428	2.771	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCC[C@@H]1CCOC1	ZINC000456757586	429346404	/nfs/dbraw/zinc/34/64/04/429346404.db2.gz	IFYLSJMLRZXWMM-IAGOWNOFSA-N	0	3	300.402	2.692	20	30		DFEDHN
CC(C)[C@H](CC(F)(F)F)NCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000445897175	429292982	/nfs/dbraw/zinc/29/29/82/429292982.db2.gz	MWCUPCXXOCAXRV-AAEUAGOBSA-N	0	3	307.360	2.607	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	ZINC000490575212	429293797	/nfs/dbraw/zinc/29/37/97/429293797.db2.gz	ONDTZYBVWLXGDX-CGTJXYLNSA-N	0	3	302.462	2.807	20	30		DFEDHN
COC(=O)[C@@](C)(CNCc1ccc(C#N)o1)c1ccc(F)cc1	ZINC000447092876	429302975	/nfs/dbraw/zinc/30/29/75/429302975.db2.gz	DVHILMOZGFVKCQ-KRWDZBQOSA-N	0	3	316.332	2.511	20	30		DFEDHN
C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000490739123	429304644	/nfs/dbraw/zinc/30/46/44/429304644.db2.gz	GSFXLBZMRPUGFO-ROUUACIJSA-N	0	3	313.445	2.610	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1	ZINC000496080797	429304674	/nfs/dbraw/zinc/30/46/74/429304674.db2.gz	BEMCIVPQVRUOEH-MGPQQGTHSA-N	0	3	323.437	2.593	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H](Cc2ccccc2)[C@H](O)C(F)F)C1	ZINC000447529819	429305020	/nfs/dbraw/zinc/30/50/20/429305020.db2.gz	MTJRAZNEXCYISK-QXSJWSMHSA-N	0	3	308.372	2.896	20	30		DFEDHN
C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccc(C#N)o1	ZINC000496105747	429306941	/nfs/dbraw/zinc/30/69/41/429306941.db2.gz	QKBKZMISMXCKSX-NEPJUHHUSA-N	0	3	307.394	2.933	20	30		DFEDHN
C[C@@H]1CC2(CCC2)CN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000365419638	429314809	/nfs/dbraw/zinc/31/48/09/429314809.db2.gz	BMPNTTRPUZXEKV-PBHICJAKSA-N	0	3	309.413	2.928	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1CCO	ZINC000448680997	429315106	/nfs/dbraw/zinc/31/51/06/429315106.db2.gz	NNAWXJPYRQMIKD-DLBZAZTESA-N	0	3	300.402	2.522	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)CC1CCCCC1	ZINC000448772984	429317044	/nfs/dbraw/zinc/31/70/44/429317044.db2.gz	FVQFNLYWVPVFEQ-SJORKVTESA-N	0	3	308.466	2.548	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)C/C(C)=C/c1ccccc1	ZINC000491694251	429392365	/nfs/dbraw/zinc/39/23/65/429392365.db2.gz	VRIVDYWFSNJKJA-BMRADRMJSA-N	0	3	313.445	2.686	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000491727222	429397048	/nfs/dbraw/zinc/39/70/48/429397048.db2.gz	BOCQYCZAMZGHMU-CGTJXYLNSA-N	0	3	313.445	2.751	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1cc(C#N)ccc1Cl	ZINC000457092515	429398103	/nfs/dbraw/zinc/39/81/03/429398103.db2.gz	RHGRHYPZXBYVBV-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000491748037	429402618	/nfs/dbraw/zinc/40/26/18/429402618.db2.gz	XGTUFRKGYHTRHU-CGTJXYLNSA-N	0	3	313.445	2.608	20	30		DFEDHN
CN1C(=O)CSC12CCN(CCCCC(C)(C)C#N)CC2	ZINC000365631043	429354711	/nfs/dbraw/zinc/35/47/11/429354711.db2.gz	VUIBVQVFJKUBDC-UHFFFAOYSA-N	0	3	309.479	2.704	20	30		DFEDHN
C#C[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Br)cc1	ZINC000491393405	429356618	/nfs/dbraw/zinc/35/66/18/429356618.db2.gz	HMMVERVKGCSLNL-ZIAGYGMSSA-N	0	3	323.234	2.580	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1	ZINC000365654034	429358929	/nfs/dbraw/zinc/35/89/29/429358929.db2.gz	OLDYAUJNUTVHOX-VQIMIIECSA-N	0	3	316.445	2.546	20	30		DFEDHN
CC[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(C#N)cc1	ZINC000365705476	429360506	/nfs/dbraw/zinc/36/05/06/429360506.db2.gz	AYIOFPPHJFSGLZ-MSOLQXFVSA-N	0	3	324.428	2.865	20	30		DFEDHN
C[C@@H](Cc1ccoc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000449230543	429363005	/nfs/dbraw/zinc/36/30/05/429363005.db2.gz	KYMKTRHJMJRBTA-KBXCAEBGSA-N	0	3	323.396	2.867	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@@H]2CCc3c[nH]nc3C2)cc1	ZINC000365735477	429366112	/nfs/dbraw/zinc/36/61/12/429366112.db2.gz	LIHRNUSIVAKOPS-NVXWUHKLSA-N	0	3	310.401	2.910	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1nc(Br)cs1	ZINC000491515882	429369700	/nfs/dbraw/zinc/36/97/00/429369700.db2.gz	PURNPJHETVROGX-JTQLQIEISA-N	0	3	316.268	2.511	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000491615327	429379029	/nfs/dbraw/zinc/37/90/29/429379029.db2.gz	CJHHEXIOSUBPPX-CJNGLKHVSA-N	0	3	319.474	2.674	20	30		DFEDHN
C#CCNC(=O)CCNCc1ccc(OC2CCCCC2)cc1	ZINC000491629073	429381332	/nfs/dbraw/zinc/38/13/32/429381332.db2.gz	PAHRAVGBSXYUPW-UHFFFAOYSA-N	0	3	314.429	2.627	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)C[C@@H]1CCCN1CC)c1ccc(F)cc1	ZINC000491646295	429384517	/nfs/dbraw/zinc/38/45/17/429384517.db2.gz	SOEVESGZULUUON-IRXDYDNUSA-N	0	3	317.408	2.626	20	30		DFEDHN
C#CCN(C)CCCNC(=S)Nc1ccc(OC(C)C)cc1	ZINC000491667586	429387667	/nfs/dbraw/zinc/38/76/67/429387667.db2.gz	INCBGECGJNLAHE-UHFFFAOYSA-N	0	3	319.474	2.715	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000491668491	429388439	/nfs/dbraw/zinc/38/84/39/429388439.db2.gz	YQEWLOTTZBUJLZ-BQFCYCMXSA-N	0	3	313.445	2.703	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C	ZINC000457443446	429465201	/nfs/dbraw/zinc/46/52/01/429465201.db2.gz	NHPDNYNMYJSQEW-YLFCFFPRSA-N	0	3	308.466	2.737	20	30		DFEDHN
C#CCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1	ZINC000274093165	275716453	/nfs/dbraw/zinc/71/64/53/275716453.db2.gz	IVMHRNRAXRIREO-SFHVURJKSA-N	0	3	311.429	2.631	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1	ZINC000491813998	429413446	/nfs/dbraw/zinc/41/34/46/429413446.db2.gz	CAPHXQGXPOHMSI-BMIGLBTASA-N	0	3	308.784	2.658	20	30		DFEDHN
Cc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)nc1	ZINC000457189284	429423852	/nfs/dbraw/zinc/42/38/52/429423852.db2.gz	WQJJFRQUHJDJRC-QGZVFWFLSA-N	0	3	307.397	2.821	20	30		DFEDHN
CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C	ZINC000449492531	429433325	/nfs/dbraw/zinc/43/33/25/429433325.db2.gz	CCBKKNLQKPVJGZ-RDTXWAMCSA-N	0	3	324.428	2.816	20	30		DFEDHN
CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C	ZINC000449492528	429434077	/nfs/dbraw/zinc/43/40/77/429434077.db2.gz	CCBKKNLQKPVJGZ-KBXCAEBGSA-N	0	3	324.428	2.816	20	30		DFEDHN
CC#CCN(C)C(=O)NCc1ccccc1CN1CCCCC1	ZINC000457525192	429481125	/nfs/dbraw/zinc/48/11/25/429481125.db2.gz	ARGCUOCFABCGOQ-UHFFFAOYSA-N	0	3	313.445	2.837	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cccc(Br)c1OC	ZINC000449696310	429483679	/nfs/dbraw/zinc/48/36/79/429483679.db2.gz	HQAJWSQYAWSLGJ-LBPRGKRZSA-N	0	3	314.223	2.874	20	30		DFEDHN
CC(C)OCCOC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000449724482	429490248	/nfs/dbraw/zinc/49/02/48/429490248.db2.gz	HDJKVECZRVCITI-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCCC1	ZINC000449886740	429531347	/nfs/dbraw/zinc/53/13/47/429531347.db2.gz	HSQXHPKZLRDRDL-QGZVFWFLSA-N	0	3	321.509	2.513	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(C1CC1)C1CCN(CC)CC1)OCC	ZINC000366736491	429503274	/nfs/dbraw/zinc/50/32/74/429503274.db2.gz	DILHPEHNDORSNE-QGZVFWFLSA-N	0	3	308.466	2.833	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](C)C[C@H](O)C2)ccc1OC	ZINC000449764667	429503445	/nfs/dbraw/zinc/50/34/45/429503445.db2.gz	CXSBTTUOGKUJCH-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]1C1CC1)C(C)C	ZINC000457759116	429522503	/nfs/dbraw/zinc/52/25/03/429522503.db2.gz	VOPHENBDAJJVRE-SJORKVTESA-N	0	3	305.466	2.879	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1ccc2c(n1)CCC2=O)C(C)C	ZINC000520643331	429524060	/nfs/dbraw/zinc/52/40/60/429524060.db2.gz	CQQLLMRIGKRCJE-KRWDZBQOSA-N	0	3	313.445	3.321	20	30		DFEDHN
C=CC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000457919654	429547989	/nfs/dbraw/zinc/54/79/89/429547989.db2.gz	XTNNUWGPEVRMLN-INIZCTEOSA-N	0	3	303.450	2.671	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000450063676	429562878	/nfs/dbraw/zinc/56/28/78/429562878.db2.gz	YOKCTMKLXCWUOY-FXRXJOCMSA-N	0	3	311.429	2.705	20	30		DFEDHN
C=CC(C)(C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000450065356	429563862	/nfs/dbraw/zinc/56/38/62/429563862.db2.gz	ITRZKAQHAKLHBY-IYBDPMFKSA-N	0	3	322.493	2.937	20	30		DFEDHN
CCN(C)CCNC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000458020157	429566401	/nfs/dbraw/zinc/56/64/01/429566401.db2.gz	RXQPFTQIDYVZHZ-INIZCTEOSA-N	0	3	302.422	2.672	20	30		DFEDHN
CN1CC[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000522138469	429582152	/nfs/dbraw/zinc/58/21/52/429582152.db2.gz	NEYJAOFJSQMJRN-SKDRFNHKSA-N	0	3	312.200	2.626	20	30		DFEDHN
CC(C)O[C@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1	ZINC000457865107	429542542	/nfs/dbraw/zinc/54/25/42/429542542.db2.gz	FIQRCRLZTTXPTD-ZACQAIPSSA-N	0	3	300.402	2.831	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1nc(C)c(C)s1	ZINC000429708644	429627318	/nfs/dbraw/zinc/62/73/18/429627318.db2.gz	NHPBAYUCXLHTEW-ZDUSSCGKSA-N	0	3	324.494	2.527	20	30		DFEDHN
C[C@@H]1[C@@H](Nc2ncc(Br)cc2C#N)CCCN1C	ZINC000450440922	429627890	/nfs/dbraw/zinc/62/78/90/429627890.db2.gz	PXLPTTZUZMEUFR-SKDRFNHKSA-N	0	3	309.211	2.610	20	30		DFEDHN
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)[C@@H](C)CN1C	ZINC000492720128	429600699	/nfs/dbraw/zinc/60/06/99/429600699.db2.gz	GRBIIOSZZAHEBH-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(CCCC)[C@H](C)c1ccccc1	ZINC000523450118	429606706	/nfs/dbraw/zinc/60/67/06/429606706.db2.gz	ILADMPVHMAEPIZ-OAHLLOKOSA-N	0	3	317.433	2.862	20	30		DFEDHN
CN1CCN(Cc2cc(C#N)ccc2Br)C(C)(C)C1	ZINC000492744589	429607262	/nfs/dbraw/zinc/60/72/62/429607262.db2.gz	HCXLLWJLPBXHGY-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#Cc1ccnc(N2CCN(CC3CCC(F)(F)CC3)CC2)c1	ZINC000459305041	429695165	/nfs/dbraw/zinc/69/51/65/429695165.db2.gz	PTWWJXJTKQPHPN-UHFFFAOYSA-N	0	3	320.387	2.901	20	30		DFEDHN
C[C@H](CCCc1cccnc1)NCC(=O)Nc1cccc(C#N)c1	ZINC000459634996	429701091	/nfs/dbraw/zinc/70/10/91/429701091.db2.gz	FZQOPZLPBWYMTN-OAHLLOKOSA-N	0	3	322.412	2.893	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)Cc1cc(C#N)n(C)c1	ZINC000459735155	429702493	/nfs/dbraw/zinc/70/24/93/429702493.db2.gz	GHWKDYKXDDAWFP-UHFFFAOYSA-N	0	3	302.447	2.522	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@@H]3CCCC[C@H]3C)CC2)c1C#N	ZINC000471809572	429713448	/nfs/dbraw/zinc/71/34/48/429713448.db2.gz	IKLSXBUCYGKRSF-ZBFHGGJFSA-N	0	3	315.465	2.549	20	30		DFEDHN
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(CC#N)CC1	ZINC000430755717	429713782	/nfs/dbraw/zinc/71/37/82/429713782.db2.gz	RJNAVPKTAKFPQW-GFCCVEGCSA-N	0	3	316.361	2.595	20	30		DFEDHN
C[C@@H](NCC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000367781701	429715897	/nfs/dbraw/zinc/71/58/97/429715897.db2.gz	CDKQRWCAQREMPB-CQSZACIVSA-N	0	3	307.397	2.964	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000367772775	429715935	/nfs/dbraw/zinc/71/59/35/429715935.db2.gz	RLFYSPCMERGNBR-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
Cn1c2ccc(CN3CCC(CC#N)CC3)cc2sc1=O	ZINC000527526273	429756743	/nfs/dbraw/zinc/75/67/43/429756743.db2.gz	BTSFUADDMLNAHQ-UHFFFAOYSA-N	0	3	301.415	2.726	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3CCC(F)(F)C3)C2)nc1	ZINC000451053539	429757181	/nfs/dbraw/zinc/75/71/81/429757181.db2.gz	DTOIBGIAIOURMD-TZMCWYRMSA-N	0	3	307.344	2.842	20	30		DFEDHN
CC1(C)CN(CCCC2(C#N)CCOCC2)[C@H]1[C@H]1CCCO1	ZINC000368077734	429781554	/nfs/dbraw/zinc/78/15/54/429781554.db2.gz	YNKCMPOWOBWYJB-CVEARBPZSA-N	0	3	306.450	2.976	20	30		DFEDHN
CN(C)C/C=C\C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000493588103	429791376	/nfs/dbraw/zinc/79/13/76/429791376.db2.gz	LNJGCFPAVNQOQV-ARJAWSKDSA-N	0	3	322.368	2.802	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1Cl	ZINC000527758189	429794243	/nfs/dbraw/zinc/79/42/43/429794243.db2.gz	MWQCUGUIMPMKCG-ZBFHGGJFSA-N	0	3	311.809	2.534	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1F	ZINC000368286030	429824517	/nfs/dbraw/zinc/82/45/17/429824517.db2.gz	CCQYQVALGNMKNC-LJQANCHMSA-N	0	3	310.372	2.833	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000494351819	429868729	/nfs/dbraw/zinc/86/87/29/429868729.db2.gz	SSWIVAJDLAFGLT-ZWKOTPCHSA-N	0	3	315.461	2.909	20	30		DFEDHN
CO[C@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C	ZINC000451485369	429834333	/nfs/dbraw/zinc/83/43/33/429834333.db2.gz	CQLQLOPISREAGF-KBPBESRZSA-N	0	3	321.808	2.553	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(CO)(Nc2ccccc2)CC1	ZINC000368432701	429847802	/nfs/dbraw/zinc/84/78/02/429847802.db2.gz	DWDBGVZPLSYJOW-UHFFFAOYSA-N	0	3	301.434	2.865	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1	ZINC000494374684	429869334	/nfs/dbraw/zinc/86/93/34/429869334.db2.gz	MHOUBCKOJTZRDS-GRDNDAEWSA-N	0	3	312.417	2.752	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@H](OC)C(C)(C)C1	ZINC000451547719	429850224	/nfs/dbraw/zinc/85/02/24/429850224.db2.gz	DEOCTWLMZZRVBV-KRWDZBQOSA-N	0	3	318.417	2.693	20	30		DFEDHN
CC(C#N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000493989791	429851986	/nfs/dbraw/zinc/85/19/86/429851986.db2.gz	USDWEZZVVOOEMM-HABKJSAYSA-N	0	3	321.421	2.535	20	30		DFEDHN
C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H]1COc2ccccc21	ZINC000368487372	429856045	/nfs/dbraw/zinc/85/60/45/429856045.db2.gz	JBNOCFZFMOWOQR-CXAGYDPISA-N	0	3	318.380	2.860	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC	ZINC000451593732	429859303	/nfs/dbraw/zinc/85/93/03/429859303.db2.gz	UEAKEWLEOZAIGK-OAGGEKHMSA-N	0	3	324.465	2.511	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC)[C@H](C)c1ccc(F)cc1	ZINC000451604029	429860644	/nfs/dbraw/zinc/86/06/44/429860644.db2.gz	FMASBFQIMNTXSY-XYPHTWIQSA-N	0	3	320.408	2.668	20	30		DFEDHN
COc1cc(CN2CCC23CCC(CO)CC3)ccc1C#N	ZINC000368519077	429860911	/nfs/dbraw/zinc/86/09/11/429860911.db2.gz	OMVMXHWEXLZBEN-UHFFFAOYSA-N	0	3	300.402	2.694	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C	ZINC000451605969	429861011	/nfs/dbraw/zinc/86/10/11/429861011.db2.gz	LXEDSPNBQQUYRF-GLQYFDAESA-N	0	3	308.809	2.909	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1	ZINC000368554361	429865577	/nfs/dbraw/zinc/86/55/77/429865577.db2.gz	BVODZCDJURGNJK-XVGQJIODSA-N	0	3	324.380	2.562	20	30		DFEDHN
Cc1c(Cl)cnc(NC2CCN([C@@H]3CCOC3)CC2)c1C#N	ZINC000368614398	429878092	/nfs/dbraw/zinc/87/80/92/429878092.db2.gz	QOSDQAFWTZRLPY-CYBMUJFWSA-N	0	3	320.824	2.580	20	30		DFEDHN
CCCOc1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CC1)C2	ZINC000528424217	429888353	/nfs/dbraw/zinc/88/83/53/429888353.db2.gz	LILVTJYVZMCCPK-QGZVFWFLSA-N	0	3	314.429	2.888	20	30		DFEDHN
N#Cc1cccc(OCCN2CCCC[C@@H]2Cn2cccn2)c1	ZINC000369258004	429921447	/nfs/dbraw/zinc/92/14/47/429921447.db2.gz	KEPDMCPXFCVJQO-QGZVFWFLSA-N	0	3	310.401	2.688	20	30		DFEDHN
Cc1ccc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc1C#N	ZINC000369329745	429924149	/nfs/dbraw/zinc/92/41/49/429924149.db2.gz	IVCUXEFELNONAM-LPHOPBHVSA-N	0	3	321.428	2.786	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1	ZINC000451679575	429870643	/nfs/dbraw/zinc/87/06/43/429870643.db2.gz	ZHCVCSAKZYQDDY-XKQJLSEDSA-N	0	3	320.408	2.668	20	30		DFEDHN
CC(C)(C#N)CCN(CCC(N)=O)[C@H]1CCOc2ccccc21	ZINC000451706972	429876125	/nfs/dbraw/zinc/87/61/25/429876125.db2.gz	HKTZCYFPYUENSG-HNNXBMFYSA-N	0	3	315.417	2.627	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc(C#N)nc2)c1	ZINC000528910396	429933869	/nfs/dbraw/zinc/93/38/69/429933869.db2.gz	SVUUFGYHYKBKTE-UHFFFAOYSA-N	0	3	308.385	2.505	20	30		DFEDHN
N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528920799	429935335	/nfs/dbraw/zinc/93/53/35/429935335.db2.gz	OPLYTCZQONYHIX-XHSDSOJGSA-N	0	3	324.405	2.877	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CC3CCC2CC3)CC1	ZINC000573319567	429943209	/nfs/dbraw/zinc/94/32/09/429943209.db2.gz	RANKLPDFBBESDJ-GPANFISMSA-N	0	3	305.466	2.762	20	30		DFEDHN
CN1CCC[C@H](CNc2ccnc(C#N)c2)[C@H]1c1cccs1	ZINC000557585385	429946812	/nfs/dbraw/zinc/94/68/12/429946812.db2.gz	JCNIKEAMCIPKDY-DYVFJYSZSA-N	0	3	312.442	2.932	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCCCN1CC(C)C	ZINC000560330262	430032183	/nfs/dbraw/zinc/03/21/83/430032183.db2.gz	MXDFYVIWQGNQLU-MRXNPFEDSA-N	0	3	314.433	2.502	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)[C@]2(C#N)CC23CCCC3)C1	ZINC000574520469	430049159	/nfs/dbraw/zinc/04/91/59/430049159.db2.gz	WRSJFVLNCOQEHT-GOSISDBHSA-N	0	3	303.450	2.699	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637170880	429994371	/nfs/dbraw/zinc/99/43/71/429994371.db2.gz	YVFOGCAEROYHMY-HRCADAONSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCOCCN(C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000559031622	429997045	/nfs/dbraw/zinc/99/70/45/429997045.db2.gz	NXWKRONJPRMBBG-UHFFFAOYSA-N	0	3	301.333	2.931	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000529409757	430000051	/nfs/dbraw/zinc/00/00/51/430000051.db2.gz	JTXRAOODNWROPY-INIZCTEOSA-N	0	3	315.417	2.522	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000639919334	430023036	/nfs/dbraw/zinc/02/30/36/430023036.db2.gz	QPXWPQNQVOOUIX-KGLIPLIRSA-N	0	3	303.324	2.656	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccnc(C)c1)C(C)C	ZINC000574241655	430023443	/nfs/dbraw/zinc/02/34/43/430023443.db2.gz	HPJLLGIFZCIQDN-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2)C1	ZINC000067208605	276847136	/nfs/dbraw/zinc/84/71/36/276847136.db2.gz	DIRUUOQVXHFICG-QGZVFWFLSA-N	0	3	305.381	2.691	20	30		DFEDHN
C[C@H]1CC(F)(F)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000530008294	430095363	/nfs/dbraw/zinc/09/53/63/430095363.db2.gz	FEBORZFGSFCUCF-SWLSCSKDSA-N	0	3	317.339	2.887	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)C1(C#N)CC(C)C1)c1ccco1	ZINC000561611363	430095531	/nfs/dbraw/zinc/09/55/31/430095531.db2.gz	XKINTHKKXXWDRA-YXXKGXSTSA-N	0	3	303.406	2.765	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2F)cs1	ZINC000576027409	430101453	/nfs/dbraw/zinc/10/14/53/430101453.db2.gz	FVNFHRGGLNXLEN-GFCCVEGCSA-N	0	3	318.377	2.909	20	30		DFEDHN
Cc1ccccc1CNC[C@H](O)COc1ccc(CC#N)cc1	ZINC000576298200	430104549	/nfs/dbraw/zinc/10/45/49/430104549.db2.gz	LHOHYZQRJUQBBA-SFHVURJKSA-N	0	3	310.397	2.591	20	30		DFEDHN
CCN1C[C@@H](C)N(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1	ZINC000577123403	430110992	/nfs/dbraw/zinc/11/09/92/430110992.db2.gz	LITKCBYVOMYTPI-JZXOWHBKSA-N	0	3	313.445	2.700	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(CCC#N)CC1	ZINC000577218010	430113088	/nfs/dbraw/zinc/11/30/88/430113088.db2.gz	IUVRPTBLSZFQFB-INIZCTEOSA-N	0	3	320.481	2.832	20	30		DFEDHN
N#C[C@]1(C(=O)NC[C@H]2CCN2C2CCCCC2)CC12CCCC2	ZINC000529715312	430055499	/nfs/dbraw/zinc/05/54/99/430055499.db2.gz	DEDCOOIPOPJSDV-APWZRJJASA-N	0	3	315.461	2.984	20	30		DFEDHN
COCc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1C#N	ZINC000529817498	430070135	/nfs/dbraw/zinc/07/01/35/430070135.db2.gz	XLGRZMHDABKEDV-IHRRRGAJSA-N	0	3	315.417	2.904	20	30		DFEDHN
C=C(C)COCCNC[C@@H](O)COc1cccc2ccccc21	ZINC000577386994	430114051	/nfs/dbraw/zinc/11/40/51/430114051.db2.gz	YHOGHUJJLDMIFC-QGZVFWFLSA-N	0	3	315.413	2.762	20	30		DFEDHN
CN(C)[C@@H](CNc1ccnc(C#N)c1)c1ccc(Cl)cc1	ZINC000561264941	430084468	/nfs/dbraw/zinc/08/44/68/430084468.db2.gz	FMFPVVIEKQVCJD-INIZCTEOSA-N	0	3	300.793	2.743	20	30		DFEDHN
CC(C)(O)CN(CC#Cc1cccc(Cl)c1)C1CCOCC1	ZINC000533023611	430156626	/nfs/dbraw/zinc/15/66/26/430156626.db2.gz	YPSFZVSFOBEYFC-UHFFFAOYSA-N	0	3	321.848	2.943	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCC#Cc1ccc(F)cc1	ZINC000539478479	430177034	/nfs/dbraw/zinc/17/70/34/430177034.db2.gz	BPOZRQJSXGXPRI-WMZOPIPTSA-N	0	3	303.377	2.889	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cc2ccccc2s1	ZINC000577948210	430117516	/nfs/dbraw/zinc/11/75/16/430117516.db2.gz	REBORFGCZRMMAE-UKRRQHHQSA-N	0	3	317.458	2.758	20	30		DFEDHN
CCO[C@@H]1C[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000562535137	430143568	/nfs/dbraw/zinc/14/35/68/430143568.db2.gz	YUJNCUCERXTYJS-IAGOWNOFSA-N	0	3	310.401	2.731	20	30		DFEDHN
CC1CC(C#N)(C(=O)Nc2ccc(OCCN(C)C)cc2)C1	ZINC000531554610	430144288	/nfs/dbraw/zinc/14/42/88/430144288.db2.gz	SNRBAILLLSCFJH-UHFFFAOYSA-N	0	3	301.390	2.505	20	30		DFEDHN
COc1ccc(CN(C(=O)C(C)C#N)[C@@H](C)C2CC2)c(OC)c1	ZINC000563395018	430186775	/nfs/dbraw/zinc/18/67/75/430186775.db2.gz	OOUHQNSPFLUDQN-STQMWFEESA-N	0	3	316.401	2.991	20	30		DFEDHN
CC(C)O[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000563187041	430180332	/nfs/dbraw/zinc/18/03/32/430180332.db2.gz	RSMFVVWAZXYENK-DLBZAZTESA-N	0	3	300.402	2.785	20	30		DFEDHN
C[C@@H](O)[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000541890695	430194869	/nfs/dbraw/zinc/19/48/69/430194869.db2.gz	ZZOBLQFPODBVFN-PBHICJAKSA-N	0	3	324.428	2.552	20	30		DFEDHN
CN1CCN(Cc2cnc3ccc(C#N)cn23)c2ccccc2C1	ZINC000353590754	277109579	/nfs/dbraw/zinc/10/95/79/277109579.db2.gz	UZMFARDIZINRQA-UHFFFAOYSA-N	0	3	317.396	2.658	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)c1ccn(CCN(C)C)n1	ZINC000565548092	430219895	/nfs/dbraw/zinc/21/98/95/430219895.db2.gz	FQPCONPTIAPJSR-UHFFFAOYSA-N	0	3	312.417	2.816	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CCC#N)CC1	ZINC000566147980	430244701	/nfs/dbraw/zinc/24/47/01/430244701.db2.gz	LZSAOBIKUDMJBV-IYBDPMFKSA-N	0	3	320.481	2.975	20	30		DFEDHN
C[C@H](NC1(C2CC2)CC1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000543454290	430249521	/nfs/dbraw/zinc/24/95/21/430249521.db2.gz	DHBYRUSEHHZQFW-JTQLQIEISA-N	0	3	315.442	2.968	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1Cl	ZINC000543634687	430255037	/nfs/dbraw/zinc/25/50/37/430255037.db2.gz	BOAGGPVZQRKCIG-CQSZACIVSA-N	0	3	317.820	2.958	20	30		DFEDHN
C=CCCCCCNC(=O)NCCCN1CCCO[C@H](C)C1	ZINC000566438083	430262621	/nfs/dbraw/zinc/26/26/21/430262621.db2.gz	FAVJCHWRZZQBOW-MRXNPFEDSA-N	0	3	311.470	2.533	20	30		DFEDHN
Cc1n[nH]c([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)n1	ZINC000566548306	430267660	/nfs/dbraw/zinc/26/76/60/430267660.db2.gz	HURFQDPESXZAIG-CYBMUJFWSA-N	0	3	301.781	2.628	20	30		DFEDHN
Cc1nc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)n[nH]1	ZINC000566548306	430267662	/nfs/dbraw/zinc/26/76/62/430267662.db2.gz	HURFQDPESXZAIG-CYBMUJFWSA-N	0	3	301.781	2.628	20	30		DFEDHN
Cc1nnc([C@@H]2CCN(Cc3ccc(C#N)cc3Cl)C2)[nH]1	ZINC000566548306	430267667	/nfs/dbraw/zinc/26/76/67/430267667.db2.gz	HURFQDPESXZAIG-CYBMUJFWSA-N	0	3	301.781	2.628	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000566575174	430269245	/nfs/dbraw/zinc/26/92/45/430269245.db2.gz	YOAIYKJKFYWBIZ-QGZVFWFLSA-N	0	3	322.412	2.888	20	30		DFEDHN
N#CCCn1cc(CN2CCC23CCC3)c(-c2ccncc2)n1	ZINC000566599317	430270039	/nfs/dbraw/zinc/27/00/39/430270039.db2.gz	ZTSCSOCQWKOSPP-UHFFFAOYSA-N	0	3	307.401	2.987	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCCC(F)(F)F	ZINC000567683036	430286445	/nfs/dbraw/zinc/28/64/45/430286445.db2.gz	FRSKKZOCTUCWMY-CYBMUJFWSA-N	0	3	303.324	2.697	20	30		DFEDHN
Cc1cc2sc(NC(=O)[C@H](N)CCCC#N)nc2c(C)c1	ZINC000582357467	430292876	/nfs/dbraw/zinc/29/28/76/430292876.db2.gz	XLIXCRBHQHKASE-LLVKDONJSA-N	0	3	302.403	2.873	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](CC(C)C)n2ccnc2)CC1	ZINC000635531692	430298210	/nfs/dbraw/zinc/29/82/10/430298210.db2.gz	VOKSGQUODZQDQI-KRWDZBQOSA-N	0	3	318.465	2.627	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC([C@@H]2NC(=O)C2(C)C)CC1	ZINC000568011775	430306114	/nfs/dbraw/zinc/30/61/14/430306114.db2.gz	JRMDXNSOALYEHG-DYVFJYSZSA-N	0	3	311.429	2.856	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc3cc(OC)ccc3o2)CC1	ZINC000582543381	430311163	/nfs/dbraw/zinc/31/11/63/430311163.db2.gz	CFVYDOHZUHBDSE-UHFFFAOYSA-N	0	3	301.390	3.289	20	30		DFEDHN
COc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1C#N	ZINC000583248973	430376914	/nfs/dbraw/zinc/37/69/14/430376914.db2.gz	QMVARPIUPDTSRQ-ZWKOTPCHSA-N	0	3	314.429	2.940	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1	ZINC000274052771	277678345	/nfs/dbraw/zinc/67/83/45/277678345.db2.gz	CIMZTRNOOMBMOL-GOSISDBHSA-N	0	3	311.429	2.631	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000548307173	430461078	/nfs/dbraw/zinc/46/10/78/430461078.db2.gz	OEJGMFUNEJAPBP-RISCZKNCSA-N	0	3	303.793	2.520	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@@H](N)CN(C)Cc1ccccc1	ZINC000638865488	430461512	/nfs/dbraw/zinc/46/15/12/430461512.db2.gz	HZDWANVDMIYZOT-KRWDZBQOSA-N	0	3	317.477	2.554	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(C(F)(F)F)nc2n1CCCC2	ZINC000641759607	430464197	/nfs/dbraw/zinc/46/41/97/430464197.db2.gz	HPBVZRXSUXWOIW-NSHDSACASA-N	0	3	317.355	2.655	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(Cl)c(Br)c1	ZINC000641768109	430467158	/nfs/dbraw/zinc/46/71/58/430467158.db2.gz	WLMRJKQJWWQPTE-NSHDSACASA-N	0	3	316.626	2.966	20	30		DFEDHN
C=C[C@H](CO)NCc1cn(C2CCCC2)nc1-c1ccccn1	ZINC000641775735	430470300	/nfs/dbraw/zinc/47/03/00/430470300.db2.gz	YMGPQZIRTSMYER-OAHLLOKOSA-N	0	3	312.417	2.697	20	30		DFEDHN
CC(C)[C@@H](CNc1ccncc1C#N)N1CCc2ccccc2C1	ZINC000548479555	430479433	/nfs/dbraw/zinc/47/94/33/430479433.db2.gz	GSEWALLCRKFHOU-HXUWFJFHSA-N	0	3	320.440	2.870	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(SC)c1	ZINC000569071722	430419759	/nfs/dbraw/zinc/41/97/59/430419759.db2.gz	QOXZODFZSQBXGS-CABCVRRESA-N	0	3	306.431	2.670	20	30		DFEDHN
CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccccc1	ZINC000590569593	430487555	/nfs/dbraw/zinc/48/75/55/430487555.db2.gz	KAFQXGXZWLLDEW-LBPRGKRZSA-N	0	3	306.822	3.383	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H](CN2CCCC2)c2ccccc2)n1	ZINC000596071543	430505824	/nfs/dbraw/zinc/50/58/24/430505824.db2.gz	QNJDJQMBXZWUTE-KRWDZBQOSA-N	0	3	321.428	3.160	20	30		DFEDHN
CO[C@@]1(C)C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000570048001	430509084	/nfs/dbraw/zinc/50/90/84/430509084.db2.gz	CUDIJJFZMDWJNG-ZBFHGGJFSA-N	0	3	303.362	2.760	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599256986	430527894	/nfs/dbraw/zinc/52/78/94/430527894.db2.gz	CSZOEAOKDMPDFJ-ZIAGYGMSSA-N	0	3	320.458	2.739	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599258478	430530037	/nfs/dbraw/zinc/53/00/37/430530037.db2.gz	GXPGFESPOAYKPN-GOSISDBHSA-N	0	3	314.429	2.746	20	30		DFEDHN
CN1CC[C@@H](Nc2cc(C#N)nc(C3CC3)n2)[C@H]1c1ccccc1	ZINC000601134396	430537028	/nfs/dbraw/zinc/53/70/28/430537028.db2.gz	BLBGNVXLCOTRPE-SJLPKXTDSA-N	0	3	319.412	3.083	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)N2CCC[C@@]2(C)C1=O)C(C)C	ZINC000272326140	277847252	/nfs/dbraw/zinc/84/72/52/277847252.db2.gz	UBMBJIZRZREGTR-YJBOKZPZSA-N	0	3	319.449	2.502	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COc1ccc(C#N)cc1	ZINC000552034462	430578916	/nfs/dbraw/zinc/57/89/16/430578916.db2.gz	WVHDFAZQVKJZKD-PXNSSMCTSA-N	0	3	322.408	2.884	20	30		DFEDHN
CC1CCN([C@H](CNc2cc(C#N)ncn2)c2ccccc2)CC1	ZINC000617941682	430592180	/nfs/dbraw/zinc/59/21/80/430592180.db2.gz	LFEYXFVCFOLXNQ-GOSISDBHSA-N	0	3	321.428	3.233	20	30		DFEDHN
C[C@](CO)(NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1	ZINC000571049042	430599415	/nfs/dbraw/zinc/59/94/15/430599415.db2.gz	CPQGWYKLPSUGKQ-QGZVFWFLSA-N	0	3	317.389	2.887	20	30		DFEDHN
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000553774511	430623306	/nfs/dbraw/zinc/62/33/06/430623306.db2.gz	KHPGFOSQXJQOKB-WBMJQRKESA-N	0	3	317.820	2.910	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N(CC)CC)cc1	ZINC000554219507	430630744	/nfs/dbraw/zinc/63/07/44/430630744.db2.gz	VPCQAWOSKZGSMI-YOEHRIQHSA-N	0	3	301.434	2.908	20	30		DFEDHN
CCc1nncn1CCN[C@H]1CCCCc2cc(C#N)ccc21	ZINC000572185828	430675750	/nfs/dbraw/zinc/67/57/50/430675750.db2.gz	AIHFRFQESANGHG-KRWDZBQOSA-N	0	3	309.417	2.769	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2	ZINC000118398354	278077801	/nfs/dbraw/zinc/07/78/01/278077801.db2.gz	VTLIJHNVDUUHOB-CJNGLKHVSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@H](O)COCC(F)(F)F	ZINC000292349453	335088822	/nfs/dbraw/zinc/08/88/22/335088822.db2.gz	FAIMFWBIKVDRJG-AWEZNQCLSA-N	0	3	303.324	2.614	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1COC(C)(C)C1)C(C)C	ZINC000661423840	430710986	/nfs/dbraw/zinc/71/09/86/430710986.db2.gz	NPVJMTCPLLMOHD-JKSUJKDBSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000661568997	430759556	/nfs/dbraw/zinc/75/95/56/430759556.db2.gz	DEYSATBNSFTXBT-LJQANCHMSA-N	0	3	313.445	2.870	20	30		DFEDHN
O[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2	ZINC000661832292	430856043	/nfs/dbraw/zinc/85/60/43/430856043.db2.gz	AFTBDPGTUMZMIC-CABCVRRESA-N	0	3	309.331	2.950	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)c(OC)cc1OC	ZINC000651792981	430876397	/nfs/dbraw/zinc/87/63/97/430876397.db2.gz	RHMBEYKYDFSKNH-SJKOYZFVSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cn2ccc3ccc(F)cc32)CC1	ZINC000648773611	430886850	/nfs/dbraw/zinc/88/68/50/430886850.db2.gz	SCVFSKROGITLEJ-UHFFFAOYSA-N	0	3	315.392	2.547	20	30		DFEDHN
C=CCOCCN1CC[C@H](N(C)Cc2ncc(C(C)C)o2)C1	ZINC000645089327	430898581	/nfs/dbraw/zinc/89/85/81/430898581.db2.gz	BFMCVGFWTGMRGI-HNNXBMFYSA-N	0	3	307.438	2.507	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(c1ccccc1)C1CCN(C)CC1	ZINC000658707755	430906127	/nfs/dbraw/zinc/90/61/27/430906127.db2.gz	HHABGZBIEGCJHR-MSOLQXFVSA-N	0	3	314.429	2.705	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(Cn2cnnc2)CC1	ZINC000651955390	430923410	/nfs/dbraw/zinc/92/34/10/430923410.db2.gz	JLIUWDMYKOEKOJ-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000662079720	430950061	/nfs/dbraw/zinc/95/00/61/430950061.db2.gz	LTCQHJMUSXEJDQ-HLLBOEOZSA-N	0	3	312.413	2.809	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1	ZINC000658976408	430932446	/nfs/dbraw/zinc/93/24/46/430932446.db2.gz	DHBGXSIELJNTJO-UHFFFAOYSA-N	0	3	317.433	2.548	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)nc(C)n1	ZINC000659026155	430944270	/nfs/dbraw/zinc/94/42/70/430944270.db2.gz	YGRKXRFMOQPTEI-INIZCTEOSA-N	0	3	307.353	2.656	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)CCOc1ccc(Br)cc1	ZINC000649241778	431040784	/nfs/dbraw/zinc/04/07/84/431040784.db2.gz	SESUDEPBERTXQQ-CQSZACIVSA-N	0	3	314.223	2.697	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@]23COC[C@@]2(C1)CCCC3	ZINC000662315867	431043212	/nfs/dbraw/zinc/04/32/12/431043212.db2.gz	VMFOTIYFBTVTJE-QRQLOZEOSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCC2(CNC2)O1	ZINC000662248602	431013142	/nfs/dbraw/zinc/01/31/42/431013142.db2.gz	HFDHWCWYKJLWEF-LBPRGKRZSA-N	0	3	312.866	2.911	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cn(-c2ccccc2F)nc1C	ZINC000655756164	431116924	/nfs/dbraw/zinc/11/69/24/431116924.db2.gz	PQWALRSGQMUEFD-AWEZNQCLSA-N	0	3	303.381	2.594	20	30		DFEDHN
C=CCCNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1	ZINC000665942273	431073499	/nfs/dbraw/zinc/07/34/99/431073499.db2.gz	DBMCVPMDPSMZDO-QGZVFWFLSA-N	0	3	316.449	2.654	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC2(C[C@@H]1C)CCOCC2	ZINC000646100795	431183122	/nfs/dbraw/zinc/18/31/22/431183122.db2.gz	OWMAUYOEANSNQO-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCC1(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CCOCC1	ZINC000662875827	431222387	/nfs/dbraw/zinc/22/23/87/431222387.db2.gz	XTELXVZOTKTRNR-GOEBONIOSA-N	0	3	302.418	2.564	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1	ZINC000656252908	431334938	/nfs/dbraw/zinc/33/49/38/431334938.db2.gz	RZAYIKFUJFIJDC-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000660287149	431360463	/nfs/dbraw/zinc/36/04/63/431360463.db2.gz	BWEFXJAVLLQICY-QGZVFWFLSA-N	0	3	319.449	2.953	20	30		DFEDHN
C=CCN(CCOC)CC[C@@H]1Sc2ccccc2NC1=O	ZINC000660402500	431416875	/nfs/dbraw/zinc/41/68/75/431416875.db2.gz	HWVKDKCKDLDTHB-HNNXBMFYSA-N	0	3	306.431	2.624	20	30		DFEDHN
C=CCOCCCNC(=O)Nc1ccccc1CCN(C)C	ZINC000666839149	431377012	/nfs/dbraw/zinc/37/70/12/431377012.db2.gz	NXVMETRKMNANMV-UHFFFAOYSA-N	0	3	305.422	2.505	20	30		DFEDHN
C=CCc1cc(CNCc2ccc(CO)cc2)cc(OC)c1O	ZINC000647229449	431519258	/nfs/dbraw/zinc/51/92/58/431519258.db2.gz	NCCDTNIZUPZUAI-UHFFFAOYSA-N	0	3	313.397	2.911	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCOC(C)(C)C)CC1	ZINC000660597183	431509372	/nfs/dbraw/zinc/50/93/72/431509372.db2.gz	MIQXPOQIRGEWIH-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(CC2CC2)C1	ZINC000660703471	431557219	/nfs/dbraw/zinc/55/72/19/431557219.db2.gz	UDYZIMAKRYIWKY-IKGGRYGDSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(C)(C)CC)CC1	ZINC000653809279	431535955	/nfs/dbraw/zinc/53/59/55/431535955.db2.gz	UAQBVSAJFPRPBO-MRXNPFEDSA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cnc2n1CCC2)C(C)C	ZINC000657307125	431662964	/nfs/dbraw/zinc/66/29/64/431662964.db2.gz	KBTAONIZJMZINF-KRWDZBQOSA-N	0	3	302.466	2.618	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1	ZINC000654308683	431737124	/nfs/dbraw/zinc/73/71/24/431737124.db2.gz	QAZIYWSHOFBUOI-ZWKOTPCHSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1csc(CC(=O)N(C)C)n1	ZINC000661116687	431738642	/nfs/dbraw/zinc/73/86/42/431738642.db2.gz	KXWQBAQHXKRNSN-HIFRSBDPSA-N	0	3	321.490	2.998	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1csc(CC(=O)NC)n1	ZINC000661118005	431738734	/nfs/dbraw/zinc/73/87/34/431738734.db2.gz	VORIQBVNKXWHLC-OCCSQVGLSA-N	0	3	307.463	2.656	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1nn2c(nc(C)cc2=O)s1	ZINC000661120153	431738843	/nfs/dbraw/zinc/73/88/43/431738843.db2.gz	ZXHCWMUPDMNZJK-QWHCGFSZSA-N	0	3	318.446	2.684	20	30		DFEDHN
C[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000292275686	288256418	/nfs/dbraw/zinc/25/64/18/288256418.db2.gz	LWAJINIDBUKIFK-ZDUSSCGKSA-N	0	3	314.389	2.777	20	30		DFEDHN
COC[C@H](NCC#Cc1ccccc1Cl)C1CCOCC1	ZINC000661160540	431756769	/nfs/dbraw/zinc/75/67/69/431756769.db2.gz	ZCHQIEOJVVGVNU-KRWDZBQOSA-N	0	3	307.821	2.723	20	30		DFEDHN
C=CCN(CCC(=O)N1CCCc2ccccc21)[C@H](C)COC	ZINC000661240866	431789791	/nfs/dbraw/zinc/78/97/91/431789791.db2.gz	SKANPWZRJXTGOE-MRXNPFEDSA-N	0	3	316.445	2.879	20	30		DFEDHN
C=CCN(CCCn1c2ccccc2[nH]c1=O)[C@H](C)COC	ZINC000661244769	431792169	/nfs/dbraw/zinc/79/21/69/431792169.db2.gz	YABPGYPPVSKCQI-CQSZACIVSA-N	0	3	303.406	2.655	20	30		DFEDHN
C=CCN(C[C@H](O)COc1c(C)cccc1C)[C@@H](C)COC	ZINC000661247602	431795938	/nfs/dbraw/zinc/79/59/38/431795938.db2.gz	PJKYJUOKMAZTAW-IRXDYDNUSA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000661326038	431823659	/nfs/dbraw/zinc/82/36/59/431823659.db2.gz	OOSUDNMJIDCSGF-ROUUACIJSA-N	0	3	315.461	2.957	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000362932532	290219360	/nfs/dbraw/zinc/21/93/60/290219360.db2.gz	PMHVLISZQNXDKE-CQSZACIVSA-N	0	3	322.412	2.842	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](c2ncc[nH]2)c2cccnc2)CC1	ZINC000195028426	335091093	/nfs/dbraw/zinc/09/10/93/335091093.db2.gz	XKJZLAPLXMIERE-KRWDZBQOSA-N	0	3	311.433	2.524	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000280736200	294026413	/nfs/dbraw/zinc/02/64/13/294026413.db2.gz	WJXUPXQWCASMBD-CQSZACIVSA-N	0	3	301.390	2.550	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000081032017	294202456	/nfs/dbraw/zinc/20/24/56/294202456.db2.gz	ASWCHPIZNRPXRY-MRXNPFEDSA-N	0	3	320.396	2.522	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1	ZINC000189078518	294923471	/nfs/dbraw/zinc/92/34/71/294923471.db2.gz	MZBOZHRJBGSSMZ-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC2CCCCC2)c1	ZINC000158813644	295367720	/nfs/dbraw/zinc/36/77/20/295367720.db2.gz	IAVJPEYHCCXNMQ-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000516579464	300349888	/nfs/dbraw/zinc/34/98/88/300349888.db2.gz	DWUWIIZEZYSZSO-QAPCUYQASA-N	0	3	309.413	2.679	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000538690024	301327556	/nfs/dbraw/zinc/32/75/56/301327556.db2.gz	OZWIMWFIWIOTTE-GFCCVEGCSA-N	0	3	305.809	2.673	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785572	301348947	/nfs/dbraw/zinc/34/89/47/301348947.db2.gz	NBZVOLIJFGHXQE-XHDPSFHLSA-N	0	3	305.809	2.624	20	30		DFEDHN
N#Cc1ccc(CN(CCOC[C@H]2CCCO2)C2CC2)cc1	ZINC000541386196	301385821	/nfs/dbraw/zinc/38/58/21/301385821.db2.gz	LPRCDIPZWFASBK-GOSISDBHSA-N	0	3	300.402	2.718	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1F	ZINC000543762660	301438040	/nfs/dbraw/zinc/43/80/40/301438040.db2.gz	DGFOKPFZLDJFFC-FPMFFAJLSA-N	0	3	324.421	2.704	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCNC2	ZINC000562770790	302000784	/nfs/dbraw/zinc/00/07/84/302000784.db2.gz	LPUBKKGSXKKOJR-UHFFFAOYSA-N	0	3	320.396	2.868	20	30		DFEDHN
CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000563219840	302051630	/nfs/dbraw/zinc/05/16/30/302051630.db2.gz	ZPFPRNGQQSJQNV-IAQYHMDHSA-N	0	3	323.824	2.537	20	30		DFEDHN
Cc1nc2c(n1[C@@H]1CCN(Cc3ccc(C#N)cn3)C1)CCCC2	ZINC000563354239	302065380	/nfs/dbraw/zinc/06/53/80/302065380.db2.gz	QHMDXAPIMKWJMI-QGZVFWFLSA-N	0	3	321.428	2.784	20	30		DFEDHN
COc1cc(C#N)ccc1CN(CCN(C)C)Cc1ccccn1	ZINC000564095952	302118884	/nfs/dbraw/zinc/11/88/84/302118884.db2.gz	BPEFIINLOSHRHC-UHFFFAOYSA-N	0	3	324.428	2.526	20	30		DFEDHN
CC(C)[C@@H](CNCc1cnc2c(C#N)cnn2c1)c1cccnc1	ZINC000565421740	302224199	/nfs/dbraw/zinc/22/41/99/302224199.db2.gz	ILSRWEKWHOUQCK-QGZVFWFLSA-N	0	3	320.400	2.525	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1N1CCCC1	ZINC000565958670	302250953	/nfs/dbraw/zinc/25/09/53/302250953.db2.gz	CGISLUIQODPWMR-GJZGRUSLSA-N	0	3	307.488	2.631	20	30		DFEDHN
C[C@@H](O)CN(CCOc1ccc(C#N)cc1)Cc1ccccc1	ZINC000566945850	302323518	/nfs/dbraw/zinc/32/35/18/302323518.db2.gz	ONRXJOITAYFKKH-MRXNPFEDSA-N	0	3	310.397	2.820	20	30		DFEDHN
Cn1ccnc1[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1	ZINC000567058552	302332733	/nfs/dbraw/zinc/33/27/33/302332733.db2.gz	YKDSXLVQWZVEDZ-AWEZNQCLSA-N	0	3	300.793	2.935	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)c(C)n1	ZINC000567201274	302341936	/nfs/dbraw/zinc/34/19/36/302341936.db2.gz	QFIJNFKBFWJRGI-UHFFFAOYSA-N	0	3	323.400	2.931	20	30		DFEDHN
Cc1cccc(CCN(C)CCOCc2ccc(C#N)cc2)n1	ZINC000567771598	302388415	/nfs/dbraw/zinc/38/84/15/302388415.db2.gz	LKGDFBRNNSYIMJ-UHFFFAOYSA-N	0	3	309.413	2.953	20	30		DFEDHN
N#Cc1ccc(CNCCCNC(=O)c2cccc(F)c2)s1	ZINC000176967511	315979689	/nfs/dbraw/zinc/97/96/89/315979689.db2.gz	ZRARJXFGYHIVKD-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
COc1ccc(OC)c(CCNCc2cc(C#N)cs2)c1	ZINC000177691504	315984732	/nfs/dbraw/zinc/98/47/32/315984732.db2.gz	QCXSDWSWRXXOGR-UHFFFAOYSA-N	0	3	302.399	2.969	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000186819735	316203990	/nfs/dbraw/zinc/20/39/90/316203990.db2.gz	OEEJUEHCOZPQHW-KRWDZBQOSA-N	0	3	311.429	2.580	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)NCCN3CCCCCC3)CC2)cc1	ZINC000187874794	316215153	/nfs/dbraw/zinc/21/51/53/316215153.db2.gz	CVEDJIKTNIUZRX-UHFFFAOYSA-N	0	3	311.429	2.582	20	30		DFEDHN
C[C@H]1CCC[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000318898548	316250397	/nfs/dbraw/zinc/25/03/97/316250397.db2.gz	UONUHXCQAWQFOO-GOEBONIOSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(c3ncccc3F)C1)CC2	ZINC000558497737	317882615	/nfs/dbraw/zinc/88/26/15/317882615.db2.gz	CNEUXHOMXBWMMS-MAUKXSAKSA-N	0	3	322.387	2.948	20	30		DFEDHN
CC1(C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21	ZINC000575049404	318059599	/nfs/dbraw/zinc/05/95/99/318059599.db2.gz	AOAIUOCEFPXSCG-BMFZPTHFSA-N	0	3	315.373	2.760	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)Nc1cccc(C#N)n1	ZINC000575801170	318084159	/nfs/dbraw/zinc/08/41/59/318084159.db2.gz	ILQIAPQRYWAKGS-UHFFFAOYSA-N	0	3	315.421	2.683	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000576086968	318102798	/nfs/dbraw/zinc/10/27/98/318102798.db2.gz	LBNGMSFCKSERGX-ZWKOTPCHSA-N	0	3	314.429	2.810	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000577706774	318211174	/nfs/dbraw/zinc/21/11/74/318211174.db2.gz	SCBGNXXUGNWNHP-VIBAHUMZSA-N	0	3	311.429	2.507	20	30		DFEDHN
CC1CCN(CCNc2cccc(-n3cccn3)c2C#N)CC1	ZINC000580094008	318376253	/nfs/dbraw/zinc/37/62/53/318376253.db2.gz	LJODOVZCZPCMKM-UHFFFAOYSA-N	0	3	309.417	2.888	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2ccc(C#N)o2)C1	ZINC000382485005	323300394	/nfs/dbraw/zinc/30/03/94/323300394.db2.gz	ZCILXYREYVMAPC-CHWSQXEVSA-N	0	3	319.405	2.934	20	30		DFEDHN
Cc1cc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)cn1	ZINC000399723063	323359347	/nfs/dbraw/zinc/35/93/47/323359347.db2.gz	JBCSKONTBMOSFN-QAPCUYQASA-N	0	3	306.413	2.759	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(C#N)cn1	ZINC000399723057	323359596	/nfs/dbraw/zinc/35/95/96/323359596.db2.gz	JBCSKONTBMOSFN-CRAIPNDOSA-N	0	3	306.413	2.759	20	30		DFEDHN
C#CCNC(=O)CCN1CCC[C@H](c2nc(C(C)C)cs2)C1	ZINC000292737818	335093803	/nfs/dbraw/zinc/09/38/03/335093803.db2.gz	HAAHHGPJUHSKKS-AWEZNQCLSA-N	0	3	319.474	2.585	20	30		DFEDHN
C#CCCOc1ccc(CNCC[S@](=O)C(C)(C)C)cc1	ZINC000116921485	331468453	/nfs/dbraw/zinc/46/84/53/331468453.db2.gz	WGRZCGMNUBAAIW-OAQYLSRUSA-N	0	3	307.459	2.726	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C	ZINC000186712328	331469453	/nfs/dbraw/zinc/46/94/53/331469453.db2.gz	BIUNBDRGGRBWKQ-SWLSCSKDSA-N	0	3	303.381	2.907	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(F)c(OC)cc2C)CC1	ZINC000186736070	331472330	/nfs/dbraw/zinc/47/23/30/331472330.db2.gz	JMHKLAWZRDRZNI-UHFFFAOYSA-N	0	3	321.396	2.915	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000187256228	331506315	/nfs/dbraw/zinc/50/63/15/331506315.db2.gz	FYTFZTAGKBYSRR-INMHGKMJSA-N	0	3	304.434	2.775	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCCN(c3ccncn3)C2)c1	ZINC000370765980	331506779	/nfs/dbraw/zinc/50/67/79/331506779.db2.gz	HBGJCTBHBIAJNC-KRWDZBQOSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000297993943	331620288	/nfs/dbraw/zinc/62/02/88/331620288.db2.gz	XFMKKYXTSMZWEM-UHFFFAOYSA-N	0	3	319.361	2.606	20	30		DFEDHN
C[C@H](C[C@H]1COCCN1)Nc1cccc(OCCCC#N)c1	ZINC000317334186	331695794	/nfs/dbraw/zinc/69/57/94/331695794.db2.gz	KXGAXFZLYQIZHP-ZBFHGGJFSA-N	0	3	303.406	2.548	20	30		DFEDHN
N#CC1CCC(CNC(=O)Nc2cccc3c2CCNC3)CC1	ZINC000557032191	331764537	/nfs/dbraw/zinc/76/45/37/331764537.db2.gz	CFXITTYLWPULKQ-UHFFFAOYSA-N	0	3	312.417	2.784	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000558674282	331933899	/nfs/dbraw/zinc/93/38/99/331933899.db2.gz	PETDLWYJLFXMFH-LSDHHAIUSA-N	0	3	303.454	2.652	20	30		DFEDHN
C[C@H]1C[C@@H](c2ccccc2F)N(CCC(=O)N(C)CCC#N)C1	ZINC000092798056	332131025	/nfs/dbraw/zinc/13/10/25/332131025.db2.gz	JDGSFFOEAGURGX-YOEHRIQHSA-N	0	3	317.408	2.971	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C(=O)N(C)CC)C(C)C)cc1	ZINC000449441688	332195115	/nfs/dbraw/zinc/19/51/15/332195115.db2.gz	SNUBVYDEIXXGFV-KRWDZBQOSA-N	0	3	304.434	2.844	20	30		DFEDHN
C=CCCCCCN(C)Cc1nn2c(nc(C)cc2=O)s1	ZINC000150897949	332196392	/nfs/dbraw/zinc/19/63/92/332196392.db2.gz	VZVLKUDASGGJQW-UHFFFAOYSA-N	0	3	306.435	2.638	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](Cc1ccccc1)C1CC1	ZINC000181559229	332199594	/nfs/dbraw/zinc/19/95/94/332199594.db2.gz	WCJFHVPYKITRNM-IEBWSBKVSA-N	0	3	313.445	2.652	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(N)cc1)C(C)C	ZINC000236682563	332201797	/nfs/dbraw/zinc/20/17/97/332201797.db2.gz	BBZPOUVTEPWDAC-GOSISDBHSA-N	0	3	315.461	2.626	20	30		DFEDHN
C#CCNC(=O)CCN1CCCC[C@H]1c1cc2ccccc2[nH]1	ZINC000292793408	335095223	/nfs/dbraw/zinc/09/52/23/335095223.db2.gz	LPVYZVFEDXVVMZ-SFHVURJKSA-N	0	3	309.413	2.834	20	30		DFEDHN
N#CCCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000102401765	332225540	/nfs/dbraw/zinc/22/55/40/332225540.db2.gz	HCCLNVHUJWXWMR-HNNXBMFYSA-N	0	3	304.369	2.715	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H]2CCOC2)CC1	ZINC000374611045	332241870	/nfs/dbraw/zinc/24/18/70/332241870.db2.gz	LBKMMXSJPFMPKA-WBVHZDCISA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C	ZINC000370875579	332274402	/nfs/dbraw/zinc/27/44/02/332274402.db2.gz	GSWSFWQCYJOLAW-IAGOWNOFSA-N	0	3	314.429	2.950	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)n(C(C)(C)C)n2)CC1	ZINC000106036077	335102774	/nfs/dbraw/zinc/10/27/74/335102774.db2.gz	IPRYKRMDEISMMG-UHFFFAOYSA-N	0	3	318.465	2.717	20	30		DFEDHN
C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccc(C)o1	ZINC000293373657	335107629	/nfs/dbraw/zinc/10/76/29/335107629.db2.gz	VLWJCMIAUYWLIF-UHFFFAOYSA-N	0	3	300.349	2.690	20	30		DFEDHN
C#CCNC(=O)CCN(CCC)[C@@H](C)c1ccccc1OC	ZINC000293443304	335106443	/nfs/dbraw/zinc/10/64/43/335106443.db2.gz	KEVZSOKACPVVED-HNNXBMFYSA-N	0	3	302.418	2.608	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000293511987	335111484	/nfs/dbraw/zinc/11/14/84/335111484.db2.gz	OHQJIEPSGHQBHG-LBPRGKRZSA-N	0	3	312.335	2.838	20	30		DFEDHN
N#CCCNC[C@@H]1CCN(c2cccc(Br)c2)C1	ZINC000572751452	332724222	/nfs/dbraw/zinc/72/42/22/332724222.db2.gz	IFAYLKYGHJDJNO-LBPRGKRZSA-N	0	3	308.223	2.779	20	30		DFEDHN
C=CCOCCN1CCC(Oc2c(OC)cccc2OC)CC1	ZINC000293669456	335114683	/nfs/dbraw/zinc/11/46/83/335114683.db2.gz	ZIVHKZQRXDHGRJ-UHFFFAOYSA-N	0	3	321.417	2.750	20	30		DFEDHN
CN(C(=O)CN1C[C@@H]2CCCC[C@H]2C1)C1(C#N)CCCCC1	ZINC000177561755	332991396	/nfs/dbraw/zinc/99/13/96/332991396.db2.gz	HHPIEEARNSAKOR-HOTGVXAUSA-N	0	3	303.450	2.793	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccccc1SC(C)C	ZINC000293851038	335115159	/nfs/dbraw/zinc/11/51/59/335115159.db2.gz	ANDZYYGSQXERJV-UHFFFAOYSA-N	0	3	304.459	2.872	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C3CC3)cc2F)CC1	ZINC000293784316	335117281	/nfs/dbraw/zinc/11/72/81/335117281.db2.gz	ZOLQZUNXVMQTDQ-UHFFFAOYSA-N	0	3	314.404	2.665	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000185192420	335118193	/nfs/dbraw/zinc/11/81/93/335118193.db2.gz	PHIMGHIIIMNUAX-OAHLLOKOSA-N	0	3	304.434	2.846	20	30		DFEDHN
C[C@](NCCCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1	ZINC000177384934	333128358	/nfs/dbraw/zinc/12/83/58/333128358.db2.gz	ZHGSGUDWMAHNEE-CQSZACIVSA-N	0	3	313.323	2.689	20	30		DFEDHN
C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000177556753	333130202	/nfs/dbraw/zinc/13/02/02/333130202.db2.gz	NBWRWJWBIGMDSJ-AEFFLSMTSA-N	0	3	324.428	2.520	20	30		DFEDHN
CC[C@@H](NCCC(=O)N(C)CCC#N)c1cc(F)ccc1F	ZINC000179801003	333155476	/nfs/dbraw/zinc/15/54/76/333155476.db2.gz	YCBAVSGMHYMMIT-OAHLLOKOSA-N	0	3	309.360	2.768	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000179911259	333156517	/nfs/dbraw/zinc/15/65/17/333156517.db2.gz	LGZUNCGSZIUVKG-OAHLLOKOSA-N	0	3	311.429	2.846	20	30		DFEDHN
C=CCNC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1	ZINC000106512140	333159783	/nfs/dbraw/zinc/15/97/83/333159783.db2.gz	GNHTVDGROURSHE-UHFFFAOYSA-N	0	3	301.434	2.692	20	30		DFEDHN
CCOCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000181488234	333169734	/nfs/dbraw/zinc/16/97/34/333169734.db2.gz	IEHHLHFXKHGBQJ-UHFFFAOYSA-N	0	3	312.417	2.932	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC=C(c2ccc(F)cc2)CC1	ZINC000181533727	333169961	/nfs/dbraw/zinc/16/99/61/333169961.db2.gz	WHYYZPASIJCFNO-UHFFFAOYSA-N	0	3	315.392	2.677	20	30		DFEDHN
CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccc(OC)cc1	ZINC000181815819	333172716	/nfs/dbraw/zinc/17/27/16/333172716.db2.gz	KWFDCYYUACYCMY-PBHICJAKSA-N	0	3	317.433	2.744	20	30		DFEDHN
C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC#N)cc1	ZINC000181999004	333174295	/nfs/dbraw/zinc/17/42/95/333174295.db2.gz	TXWGMZFSTWGJQX-HIFRSBDPSA-N	0	3	315.417	2.639	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363818886	333178505	/nfs/dbraw/zinc/17/85/05/333178505.db2.gz	JXWLDHFYJIAKSH-SJLPKXTDSA-N	0	3	313.445	2.704	20	30		DFEDHN
CCCN(CCc1cccs1)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000184516414	333197724	/nfs/dbraw/zinc/19/77/24/333197724.db2.gz	ZSGHOHLKMUFBGW-KRWDZBQOSA-N	0	3	319.474	2.811	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000497170558	333199716	/nfs/dbraw/zinc/19/97/16/333199716.db2.gz	RZEAFNAKLPUOJI-KFWWJZLASA-N	0	3	312.454	2.691	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1	ZINC000185712406	333212740	/nfs/dbraw/zinc/21/27/40/333212740.db2.gz	TUVXOLXJPIKWOZ-ROUUACIJSA-N	0	3	311.429	2.981	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@H](CN2CCOCC2)c2ccccc2)C1	ZINC000185761949	333213636	/nfs/dbraw/zinc/21/36/36/333213636.db2.gz	SOLWQDPLDRAYAX-QXAKKESOSA-N	0	3	313.445	2.732	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ncoc1C1CC1)C(C)C	ZINC000294812479	335127750	/nfs/dbraw/zinc/12/77/50/335127750.db2.gz	PTCVSYQWALERCF-HNNXBMFYSA-N	0	3	317.433	2.980	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCCCS(=O)(=O)Cc2ccccc2)C1	ZINC000185782713	333214032	/nfs/dbraw/zinc/21/40/32/333214032.db2.gz	BSZNJZNOCDYIGL-IRXDYDNUSA-N	0	3	320.458	2.663	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCCNc2nccc(C(F)(F)F)n2)C1	ZINC000185840758	333214837	/nfs/dbraw/zinc/21/48/37/333214837.db2.gz	DFCWMPQNHHZMAY-QWRGUYRKSA-N	0	3	313.327	2.579	20	30		DFEDHN
CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@H](C#N)C1	ZINC000185865910	333215300	/nfs/dbraw/zinc/21/53/00/333215300.db2.gz	QSTIVDBLTBHDMN-HRCADAONSA-N	0	3	320.458	2.911	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000185880809	333215517	/nfs/dbraw/zinc/21/55/17/333215517.db2.gz	FQLHWMLKUQXEBZ-YDHLFZDLSA-N	0	3	306.431	2.823	20	30		DFEDHN
N#CCCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000497264233	333229019	/nfs/dbraw/zinc/22/90/19/333229019.db2.gz	MHADHLBTXSQUNZ-KRWDZBQOSA-N	0	3	315.417	2.929	20	30		DFEDHN
C#CCC(C)(C)C(=O)Nc1ccnc(OC2CCN(C)CC2)c1	ZINC000364067989	333232765	/nfs/dbraw/zinc/23/27/65/333232765.db2.gz	QVPDUJONFNIQGQ-UHFFFAOYSA-N	0	3	315.417	2.543	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)S[C@@H](C)C2)CC1	ZINC000525767052	333249738	/nfs/dbraw/zinc/24/97/38/333249738.db2.gz	KCSXYILDOPDFCF-OKILXGFUSA-N	0	3	311.495	2.562	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](CCNC(C)=O)C2)c1	ZINC000518786801	333253322	/nfs/dbraw/zinc/25/33/22/333253322.db2.gz	ZEISPPTUCJJJFJ-QGZVFWFLSA-N	0	3	316.445	2.990	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000192969641	333296555	/nfs/dbraw/zinc/29/65/55/333296555.db2.gz	NALLKWKTZHOOMV-AVGNSLFASA-N	0	3	319.355	2.742	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1	ZINC000194646089	333315277	/nfs/dbraw/zinc/31/52/77/333315277.db2.gz	LOUUTZNLNZRUOO-NILFDRSVSA-N	0	3	305.809	2.928	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccsc2)C[C@H]1C	ZINC000364625735	333325520	/nfs/dbraw/zinc/32/55/20/333325520.db2.gz	JYTKLVMKCZBZGR-IPYPFGDCSA-N	0	3	305.447	2.686	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(C(F)F)cc2)C1	ZINC000368785120	333332583	/nfs/dbraw/zinc/33/25/83/333332583.db2.gz	TVLZBURTOCTEHU-ZFWWWQNUSA-N	0	3	320.383	2.627	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000364986502	333333851	/nfs/dbraw/zinc/33/38/51/333333851.db2.gz	YULMZQKSACTSJV-SJORKVTESA-N	0	3	301.434	2.822	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000368999552	333349682	/nfs/dbraw/zinc/34/96/82/333349682.db2.gz	FJTXSERNCQQHFS-ZDUSSCGKSA-N	0	3	305.382	2.758	20	30		DFEDHN
C[C@@H](CO)[C@@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000295733311	335137489	/nfs/dbraw/zinc/13/74/89/335137489.db2.gz	MDGDOYKAXCIPSX-NWDGAFQWSA-N	0	3	301.308	2.543	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCC(O)CC2)CC1	ZINC000295734050	335137664	/nfs/dbraw/zinc/13/76/64/335137664.db2.gz	PEEISZQBZDUZFC-INIZCTEOSA-N	0	3	320.477	2.593	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1	ZINC000295829256	335139907	/nfs/dbraw/zinc/13/99/07/335139907.db2.gz	MJMGGIYCDUWBOU-YJBOKZPZSA-N	0	3	314.429	2.501	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc3ncsc3c2)C1=O	ZINC000337181961	333442739	/nfs/dbraw/zinc/44/27/39/333442739.db2.gz	BCKFFIOWELAYDN-BXUZGUMPSA-N	0	3	301.415	2.734	20	30		DFEDHN
C=CCOCCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000339085678	333508101	/nfs/dbraw/zinc/50/81/01/333508101.db2.gz	UBAPFSSSLIUHOB-SNVBAGLBSA-N	0	3	305.344	2.915	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@H]2CCCC[C@@H]2C)CC1	ZINC000112905847	333514931	/nfs/dbraw/zinc/51/49/31/333514931.db2.gz	RLAKUYMDMHTBNC-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(CC(C)C)C1CCN(C)CC1)OCC	ZINC000339364259	333520605	/nfs/dbraw/zinc/52/06/05/333520605.db2.gz	GVAMTBQRCIIWQE-QGZVFWFLSA-N	0	3	310.482	2.937	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000320811014	335146049	/nfs/dbraw/zinc/14/60/49/335146049.db2.gz	XCDKIALTXHSFHY-TZMCWYRMSA-N	0	3	309.406	2.690	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccccc1C	ZINC000297003269	335150892	/nfs/dbraw/zinc/15/08/92/335150892.db2.gz	UENAZOUFZNDNLI-INIZCTEOSA-N	0	3	301.434	2.653	20	30		DFEDHN
N#CC1(CCN2CCN(C3CCOCC3)CC2)CCCCC1	ZINC000411304860	333651673	/nfs/dbraw/zinc/65/16/73/333651673.db2.gz	ITHFJXCZRIXHIH-UHFFFAOYSA-N	0	3	305.466	2.647	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccnn1C1CCN(CC)CC1	ZINC000186149188	335156683	/nfs/dbraw/zinc/15/66/83/335156683.db2.gz	GSTRQDSTSOQIKC-UHFFFAOYSA-N	0	3	302.422	2.672	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccn(C)c2C2CCC2)CC1	ZINC000339998564	333740141	/nfs/dbraw/zinc/74/01/41/333740141.db2.gz	GJHOUNIREIJISR-UHFFFAOYSA-N	0	3	301.434	2.673	20	30		DFEDHN
Cc1nnc(CCN[C@@H](C)c2ccc(OCC#N)cc2)s1	ZINC000289969183	333818414	/nfs/dbraw/zinc/81/84/14/333818414.db2.gz	XIZKOYBAWJXXII-NSHDSACASA-N	0	3	302.403	2.642	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)cc1	ZINC000267850279	333987038	/nfs/dbraw/zinc/98/70/38/333987038.db2.gz	BMJAGQHHDRGXFT-WOJBJXKFSA-N	0	3	321.424	2.784	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1	ZINC000270312258	334010904	/nfs/dbraw/zinc/01/09/04/334010904.db2.gz	HTALHPZNLKVIJM-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
C[C@@H]1[C@H](CO)CCCN1Cc1cccc(OCCCC#N)c1	ZINC000414561052	334019257	/nfs/dbraw/zinc/01/92/57/334019257.db2.gz	BCGIJQFGWYYHPG-WBVHZDCISA-N	0	3	302.418	2.962	20	30		DFEDHN
COC[C@@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000271154338	334019480	/nfs/dbraw/zinc/01/94/80/334019480.db2.gz	CDCZOAFRGZMYBZ-MRXNPFEDSA-N	0	3	318.417	2.846	20	30		DFEDHN
CCS(=O)(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1	ZINC000343465405	335167003	/nfs/dbraw/zinc/16/70/03/335167003.db2.gz	PKZKYIPPOQASND-UKRRQHHQSA-N	0	3	306.431	2.652	20	30		DFEDHN
CC(C)(C#N)CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000271997981	334029550	/nfs/dbraw/zinc/02/95/50/334029550.db2.gz	GOUBTWQNTWKBFN-OAHLLOKOSA-N	0	3	318.396	2.961	20	30		DFEDHN
COc1cccc(CON=C(N)c2ccc(CN(C)C)cc2)c1	ZINC000272174063	334031535	/nfs/dbraw/zinc/03/15/35/334031535.db2.gz	QYOUOXPIUNBFIV-UHFFFAOYSA-N	0	3	313.401	2.594	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)NCCCC#N)c1ccccc1	ZINC000273206398	334044403	/nfs/dbraw/zinc/04/44/03/334044403.db2.gz	JGZRACOSKSMAGZ-CQSZACIVSA-N	0	3	302.422	2.719	20	30		DFEDHN
COc1ccc(CNCCOC(C)C)cc1OCCCC#N	ZINC000273479420	334047945	/nfs/dbraw/zinc/04/79/45/334047945.db2.gz	KWBCGOWIJVBLDN-UHFFFAOYSA-N	0	3	306.406	2.892	20	30		DFEDHN
CSC1c2cc(-c3noc(C(C)(C)C#N)n3)ccc2NC1=O	ZINC000273821112	334051797	/nfs/dbraw/zinc/05/17/97/334051797.db2.gz	JCZSWAVLCLYWON-LLVKDONJSA-N	0	3	314.370	2.894	20	30		DFEDHN
CN(C)CCOc1cccc(-c2noc(C3(C#N)CCC3)n2)c1	ZINC000273839554	334051897	/nfs/dbraw/zinc/05/18/97/334051897.db2.gz	KLLWPYZLMIKOGU-UHFFFAOYSA-N	0	3	312.373	2.622	20	30		DFEDHN
C=CCOc1ccc(CNC2(CC(N)=O)CCC2)cc1Cl	ZINC000353425652	334069798	/nfs/dbraw/zinc/06/97/98/334069798.db2.gz	SWIHRPVMSIROKQ-UHFFFAOYSA-N	0	3	308.809	2.793	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N(CCC#N)CC1CC1	ZINC000275689557	334072800	/nfs/dbraw/zinc/07/28/00/334072800.db2.gz	RDZFWYSYPUZDLR-UHFFFAOYSA-N	0	3	314.433	2.948	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cc2)CC1	ZINC000277576291	334089058	/nfs/dbraw/zinc/08/90/58/334089058.db2.gz	BCTDHYKHJXIUKS-GOSISDBHSA-N	0	3	323.440	2.988	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnn1CC)C(C)C	ZINC000343504636	335172308	/nfs/dbraw/zinc/17/23/08/335172308.db2.gz	HQTOUMFJXGOYER-HNNXBMFYSA-N	0	3	319.453	2.723	20	30		DFEDHN
N#CC1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1	ZINC000278539817	334097768	/nfs/dbraw/zinc/09/77/68/334097768.db2.gz	GGBWPWDTASEEKZ-LJQANCHMSA-N	0	3	313.445	2.513	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425863233	334101011	/nfs/dbraw/zinc/10/10/11/334101011.db2.gz	NSSHFXMEPAJPRG-JKSUJKDBSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CCSC2)CC1	ZINC000279161601	334106250	/nfs/dbraw/zinc/10/62/50/334106250.db2.gz	BMUSWKQHLBJDSU-NVXWUHKLSA-N	0	3	301.459	2.622	20	30		DFEDHN
CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000280398650	334117117	/nfs/dbraw/zinc/11/71/17/334117117.db2.gz	GXKJHDIFLNDPAR-KRWDZBQOSA-N	0	3	324.428	2.666	20	30		DFEDHN
N#CC1CCC(CNCc2nccn2CC(F)(F)F)CC1	ZINC000281641968	334127592	/nfs/dbraw/zinc/12/75/92/334127592.db2.gz	IYEAQUGTGMDKFM-UHFFFAOYSA-N	0	3	300.328	2.865	20	30		DFEDHN
CC(C)(C#N)CCCCN[C@@]1(CO)CCOc2ccccc21	ZINC000281810542	334128479	/nfs/dbraw/zinc/12/84/79/334128479.db2.gz	VZVOHKPWTWZLTH-GOSISDBHSA-N	0	3	302.418	2.966	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCCCC#N)c1ccc(Cl)cc1	ZINC000283713605	334141236	/nfs/dbraw/zinc/14/12/36/334141236.db2.gz	ULKUIWRDSBTMIO-AWEZNQCLSA-N	0	3	308.813	2.546	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2cccs2)C[C@H]1C	ZINC000366641154	334148376	/nfs/dbraw/zinc/14/83/76/334148376.db2.gz	INHHHEGIRUDAOP-RBSFLKMASA-N	0	3	319.474	2.934	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000287915049	334158931	/nfs/dbraw/zinc/15/89/31/334158931.db2.gz	VSNPTLLQXWLGSS-IBGZPJMESA-N	0	3	323.396	2.775	20	30		DFEDHN
CC(C)(CCC#N)CNCc1ccncc1OC[C@H]1CCOC1	ZINC000288546043	334161034	/nfs/dbraw/zinc/16/10/34/334161034.db2.gz	XGZKBVSCVVFZDW-HNNXBMFYSA-N	0	3	317.433	2.916	20	30		DFEDHN
N#CCCCCN1CC[C@H](Oc2cccnc2N2CCCC2)C1	ZINC000289391973	334164834	/nfs/dbraw/zinc/16/48/34/334164834.db2.gz	RAXNOPYINPOXMI-INIZCTEOSA-N	0	3	314.433	2.829	20	30		DFEDHN
N#CC1(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CCCCC1	ZINC000289982329	334170168	/nfs/dbraw/zinc/17/01/68/334170168.db2.gz	JSSYPTXANFDCHQ-HUUCEWRRSA-N	0	3	312.369	2.633	20	30		DFEDHN
COc1ccc([C@H](CNC(=O)CCCC#N)N2CCCC2)cc1	ZINC000291015953	334175668	/nfs/dbraw/zinc/17/56/68/334175668.db2.gz	VOSFOZKPSPXKKL-KRWDZBQOSA-N	0	3	315.417	2.642	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(CCCC#N)n1	ZINC000291138184	334176849	/nfs/dbraw/zinc/17/68/49/334176849.db2.gz	XJOAMHDCOXFYOT-UHFFFAOYSA-N	0	3	300.362	2.523	20	30		DFEDHN
C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN(C2CCC2)C1	ZINC000292536895	334188996	/nfs/dbraw/zinc/18/89/96/334188996.db2.gz	ZTOHAXQBWUIOFU-OAHLLOKOSA-N	0	3	311.429	2.699	20	30		DFEDHN
Cc1ccccc1C(C)(C)NCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000292958964	334194695	/nfs/dbraw/zinc/19/46/95/334194695.db2.gz	JJIPCKYOAWMIQG-SFHVURJKSA-N	0	3	301.434	2.874	20	30		DFEDHN
C[C@H](NCC(=O)N(CCC#N)CCC#N)c1cccc(C2CC2)c1	ZINC000295056682	334216314	/nfs/dbraw/zinc/21/63/14/334216314.db2.gz	BBHRZTJKHKGZDK-HNNXBMFYSA-N	0	3	324.428	2.871	20	30		DFEDHN
CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(C)C	ZINC000296599813	334235340	/nfs/dbraw/zinc/23/53/40/334235340.db2.gz	VNTQIZGBJOUWDH-PBHICJAKSA-N	0	3	317.433	2.742	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](NCc1ccc(OCC#N)cc1)CO2	ZINC000297060485	334239031	/nfs/dbraw/zinc/23/90/31/334239031.db2.gz	VXTMKUAWAWQXOS-INIZCTEOSA-N	0	3	324.380	2.691	20	30		DFEDHN
N#CCC[C@@H](C#N)CN1CCN(c2ccnc3ccccc32)CC1	ZINC000297789870	334244227	/nfs/dbraw/zinc/24/42/27/334244227.db2.gz	WQRPLGZVJGMVDW-INIZCTEOSA-N	0	3	319.412	2.800	20	30		DFEDHN
CCOc1cc(CNCc2ccc(OCC#N)cc2)ccc1O	ZINC000298403093	334248240	/nfs/dbraw/zinc/24/82/40/334248240.db2.gz	LYCXWUJGMCHHQQ-UHFFFAOYSA-N	0	3	312.369	2.983	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)NCCCC#N)N(C)C)cc1	ZINC000298532153	334249465	/nfs/dbraw/zinc/24/94/65/334249465.db2.gz	XUXITVBHZANBIE-HNNXBMFYSA-N	0	3	320.462	2.614	20	30		DFEDHN
C[C@H](C(=O)N(CCC#N)Cc1cccnc1)N1[C@H](C)CC[C@H]1C	ZINC000298831636	334251622	/nfs/dbraw/zinc/25/16/22/334251622.db2.gz	HSJCLJVVFCAKPQ-BZUAXINKSA-N	0	3	314.433	2.585	20	30		DFEDHN
C=C(C)CNCc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000119626234	334284849	/nfs/dbraw/zinc/28/48/49/334284849.db2.gz	CBIGMTSAOYWMFH-AWEZNQCLSA-N	0	3	320.433	2.607	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H](O)c1ccc(OC)cc1	ZINC000042202436	334333239	/nfs/dbraw/zinc/33/32/39/334333239.db2.gz	WHPTUXMXNKVZIP-GOSISDBHSA-N	0	3	311.381	2.530	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1	ZINC000121331694	334344009	/nfs/dbraw/zinc/34/40/09/334344009.db2.gz	XHGMZDVIBXZCAK-PMACEKPBSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000340693476	334354936	/nfs/dbraw/zinc/35/49/36/334354936.db2.gz	BAHGRPCERIWSKD-UHFFFAOYSA-N	0	3	310.445	2.956	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	ZINC000341107846	334409615	/nfs/dbraw/zinc/40/96/15/334409615.db2.gz	QTYLJRFISHJYPX-YQQAZPJKSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1	ZINC000341107844	334409746	/nfs/dbraw/zinc/40/97/46/334409746.db2.gz	QTYLJRFISHJYPX-BFYDXBDKSA-N	0	3	305.466	2.905	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nccs1	ZINC000328843926	334759688	/nfs/dbraw/zinc/75/96/88/334759688.db2.gz	QVVHWGDVJKLJHA-XRNSZHNASA-N	0	3	308.407	2.607	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCCN1CCCCCC1	ZINC000328883693	334763363	/nfs/dbraw/zinc/76/33/63/334763363.db2.gz	MHTNUCAJGGCORH-MRXNPFEDSA-N	0	3	323.481	2.856	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cnc(C(C)(C)C)nc2)CC1	ZINC000330412251	334779638	/nfs/dbraw/zinc/77/96/38/334779638.db2.gz	BBBGVBRYHYULSJ-UHFFFAOYSA-N	0	3	305.426	2.584	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ncc(OC)s2)CC1	ZINC000330488836	334784555	/nfs/dbraw/zinc/78/45/55/334784555.db2.gz	KSXVVMPEPDELNQ-UHFFFAOYSA-N	0	3	310.423	2.518	20	30		DFEDHN
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1	ZINC000330506142	334788715	/nfs/dbraw/zinc/78/87/15/334788715.db2.gz	CGVIGVNTQLRUCL-CQSZACIVSA-N	0	3	318.421	2.525	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330985526	334828269	/nfs/dbraw/zinc/82/82/69/334828269.db2.gz	QSHQIRVNXSDMLO-NSHDSACASA-N	0	3	324.356	2.934	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000344236438	335231023	/nfs/dbraw/zinc/23/10/23/335231023.db2.gz	MPYRCMPBSFXNAF-ZFWWWQNUSA-N	0	3	307.463	2.928	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1	ZINC000344264973	335234339	/nfs/dbraw/zinc/23/43/39/335234339.db2.gz	OSFAVOCUIWNUNE-KRWDZBQOSA-N	0	3	311.360	2.882	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000344561892	335258617	/nfs/dbraw/zinc/25/86/17/335258617.db2.gz	WHHVYKKPUKIMCC-CJNGLKHVSA-N	0	3	307.353	2.642	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000344766667	335276007	/nfs/dbraw/zinc/27/60/07/335276007.db2.gz	FCKSEDGKXQBXKK-QAPCUYQASA-N	0	3	308.466	2.548	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCC2)C1(CC)CC	ZINC000345152538	335301829	/nfs/dbraw/zinc/30/18/29/335301829.db2.gz	YIYYXCKVTOIKPQ-QLFBSQMISA-N	0	3	321.465	2.511	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COC(C)(C)C(F)(F)F)CC1	ZINC000345123733	335303475	/nfs/dbraw/zinc/30/34/75/335303475.db2.gz	BMRLANMOLSKUNJ-UHFFFAOYSA-N	0	3	322.371	2.501	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000345217429	335309383	/nfs/dbraw/zinc/30/93/83/335309383.db2.gz	FMVGSSYSSKXBAL-APWZRJJASA-N	0	3	313.445	2.869	20	30		DFEDHN
CC(C)N(C)CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1	ZINC000345235278	335310831	/nfs/dbraw/zinc/31/08/31/335310831.db2.gz	GAGILJZRBMHDFC-ZDUSSCGKSA-N	0	3	313.323	2.726	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)ccc2-n2ccnc2)CC1	ZINC000345325062	335317420	/nfs/dbraw/zinc/31/74/20/335317420.db2.gz	UKKZAHYUDHPPDA-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
CC(C)(CCC#N)CNCc1ccc(S(C)(=O)=O)s1	ZINC000345469657	335327850	/nfs/dbraw/zinc/32/78/50/335327850.db2.gz	UJOVSJDYKGHIHC-UHFFFAOYSA-N	0	3	300.449	2.571	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@]1(C)CCO[C@@H]1C)C(C)C	ZINC000345478971	335328619	/nfs/dbraw/zinc/32/86/19/335328619.db2.gz	LCUOSIDGYIJMDU-NUJGCVRESA-N	0	3	323.481	2.552	20	30		DFEDHN
CC(C#N)C(=O)NCCc1c[nH]c2ccc(Br)cc12	ZINC000345483819	335328911	/nfs/dbraw/zinc/32/89/11/335328911.db2.gz	XHFIGJGBKCPLQY-VIFPVBQESA-N	0	3	320.190	2.749	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000345722246	335345815	/nfs/dbraw/zinc/34/58/15/335345815.db2.gz	SZWJDVJTYNAFSP-KSZLIROESA-N	0	3	316.445	2.695	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000345722253	335345858	/nfs/dbraw/zinc/34/58/58/335345858.db2.gz	SZWJDVJTYNAFSP-SQNIBIBYSA-N	0	3	316.445	2.695	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000345722250	335345932	/nfs/dbraw/zinc/34/59/32/335345932.db2.gz	SZWJDVJTYNAFSP-KURKYZTESA-N	0	3	316.445	2.695	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C)[C@@H]1C	ZINC000345741817	335347313	/nfs/dbraw/zinc/34/73/13/335347313.db2.gz	INLBLQNONCBLBB-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000345922538	335365767	/nfs/dbraw/zinc/36/57/67/335365767.db2.gz	WBXFUELJTHTZHB-AWEZNQCLSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000346042874	335370460	/nfs/dbraw/zinc/37/04/60/335370460.db2.gz	FBKUWCBZYTZIHQ-IAGOWNOFSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000346070875	335372527	/nfs/dbraw/zinc/37/25/27/335372527.db2.gz	RFZOUVRKXBHQJO-IAGOWNOFSA-N	0	3	303.450	2.813	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccc1C	ZINC000346183422	335378687	/nfs/dbraw/zinc/37/86/87/335378687.db2.gz	NGWJHQDECGIXOL-DOTOQJQBSA-N	0	3	302.418	2.976	20	30		DFEDHN
C[C@@H](CN(C)C)NC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000346128989	335379134	/nfs/dbraw/zinc/37/91/34/335379134.db2.gz	FIADQBLNIWIOGR-AWEZNQCLSA-N	0	3	312.417	2.625	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000346167577	335384788	/nfs/dbraw/zinc/38/47/88/335384788.db2.gz	GDNUOJDEDSBBTH-RLFYNMQTSA-N	0	3	311.429	2.555	20	30		DFEDHN
CCS[C@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000346285581	335392403	/nfs/dbraw/zinc/39/24/03/335392403.db2.gz	UDNZKXCHRIGEIJ-KGLIPLIRSA-N	0	3	309.479	2.545	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000346285870	335392572	/nfs/dbraw/zinc/39/25/72/335392572.db2.gz	QBOSEGDMJRGQAV-PKOBYXMFSA-N	0	3	316.445	2.575	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCCC2)CC1	ZINC000346263040	335395892	/nfs/dbraw/zinc/39/58/92/335395892.db2.gz	PDRFPVJEPXQUPG-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
COCCN1CCC(Nc2cccc(OCCCC#N)c2)CC1	ZINC000346535559	335419427	/nfs/dbraw/zinc/41/94/27/335419427.db2.gz	APSGMONXPTZJBA-UHFFFAOYSA-N	0	3	317.433	2.892	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1	ZINC000366968701	335461319	/nfs/dbraw/zinc/46/13/19/335461319.db2.gz	GOIGHMKJROLQIM-CXAGYDPISA-N	0	3	310.401	2.878	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)NC2(CCCC2)C1=O)C(C)C	ZINC000348147218	335557595	/nfs/dbraw/zinc/55/75/95/335557595.db2.gz	SPNMOLRUSFFMLB-OAHLLOKOSA-N	0	3	319.449	2.550	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@H](COC)c1cccc(Cl)c1F	ZINC000348387077	335587159	/nfs/dbraw/zinc/58/71/59/335587159.db2.gz	YJKVJBHCSSSMJG-BXUZGUMPSA-N	0	3	301.789	2.941	20	30		DFEDHN
C=CCOc1ccccc1CN(CCN(C)C)C[C@@H]1CCCO1	ZINC000349023510	335628925	/nfs/dbraw/zinc/62/89/25/335628925.db2.gz	FLZZISKXOWHIDV-SFHVURJKSA-N	0	3	318.461	2.794	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)CC1	ZINC000350025618	335719098	/nfs/dbraw/zinc/71/90/98/335719098.db2.gz	GHNCFLOWTGTSRZ-KSSFIOAISA-N	0	3	313.445	2.870	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccccc2F)CC1	ZINC000106252973	335796683	/nfs/dbraw/zinc/79/66/83/335796683.db2.gz	ONOALNQNQFHQHY-UHFFFAOYSA-N	0	3	305.397	2.665	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1ccc2nsnc2c1	ZINC000329080584	335938044	/nfs/dbraw/zinc/93/80/44/335938044.db2.gz	CQBOGUDEGJHRHE-LLVKDONJSA-N	0	3	304.419	2.870	20	30		DFEDHN
COCCN1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	ZINC000329622163	336014688	/nfs/dbraw/zinc/01/46/88/336014688.db2.gz	HCTFAXHUYJDMMW-ZMSDIMECSA-N	0	3	323.481	2.570	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000520707303	336028320	/nfs/dbraw/zinc/02/83/20/336028320.db2.gz	WAHYLZXQLQWNQD-ZDUSSCGKSA-N	0	3	306.406	2.677	20	30		DFEDHN
C=CCCS(=O)(=O)NCc1ccccc1CN1CCCCC1	ZINC000351471345	336036130	/nfs/dbraw/zinc/03/61/30/336036130.db2.gz	JLOWLNVGTMXMIL-UHFFFAOYSA-N	0	3	322.474	2.668	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000351575151	336046376	/nfs/dbraw/zinc/04/63/76/336046376.db2.gz	QTIQYGMJMMEPHG-ZJUUUORDSA-N	0	3	312.200	2.848	20	30		DFEDHN
C=C(C)CCN1CCN(Cc2cc(OC)ccc2OC)CC1	ZINC000351856349	336073868	/nfs/dbraw/zinc/07/38/68/336073868.db2.gz	RIKZOTPMQHIKTB-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
Cc1nc(CCNC(=O)N2CCC(c3c[nH]cn3)CC2)cs1	ZINC000329832108	336087512	/nfs/dbraw/zinc/08/75/12/336087512.db2.gz	KUEQDFXLVVMVSM-UHFFFAOYSA-N	0	3	319.434	2.511	20	30		DFEDHN
Cc1nc(CC[NH+]=C([O-])N2CCC(c3cnc[nH]3)CC2)cs1	ZINC000329832108	336087513	/nfs/dbraw/zinc/08/75/13/336087513.db2.gz	KUEQDFXLVVMVSM-UHFFFAOYSA-N	0	3	319.434	2.511	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(C)C)C1	ZINC000329938819	336097426	/nfs/dbraw/zinc/09/74/26/336097426.db2.gz	FHLHWNNCEARLQN-LSDHHAIUSA-N	0	3	309.454	2.607	20	30		DFEDHN
CC(C)(C)N1C[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)CC1=O	ZINC000329951293	336099140	/nfs/dbraw/zinc/09/91/40/336099140.db2.gz	MIRMRYBVIQUBPY-UKRRQHHQSA-N	0	3	321.465	2.607	20	30		DFEDHN
Cc1ccsc1CC[NH+]=C([O-])NC[C@@H]1CCc2nccn2C1	ZINC000329974036	336101612	/nfs/dbraw/zinc/10/16/12/336101612.db2.gz	YYDJZBUCZLWPCL-ZDUSSCGKSA-N	0	3	318.446	2.562	20	30		DFEDHN
Cc1ccsc1CCNC([O-])=[NH+]C[C@@H]1CCc2nccn2C1	ZINC000329974036	336101613	/nfs/dbraw/zinc/10/16/13/336101613.db2.gz	YYDJZBUCZLWPCL-ZDUSSCGKSA-N	0	3	318.446	2.562	20	30		DFEDHN
O=C(NCc1nnc(C2CC2)o1)[C@H]1CCCN1C1CCCC1	ZINC000330017507	336106209	/nfs/dbraw/zinc/10/62/09/336106209.db2.gz	RFBBWBQARFUUIY-CYBMUJFWSA-N	0	3	304.394	2.811	20	30		DFEDHN
CC(C(=O)N[C@@H]1CCCC1(C)C)S(=O)(=O)C1CCOCC1	ZINC000330066994	336111028	/nfs/dbraw/zinc/11/10/28/336111028.db2.gz	FFCMWFCCBXKNBA-DGCLKSJQSA-N	0	3	317.451	2.504	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1NC(=O)C(C)S(=O)(=O)C1CCOCC1	ZINC000330072031	336111272	/nfs/dbraw/zinc/11/12/72/336111272.db2.gz	JJVPIDHYQLHAPQ-BZPMIXESSA-N	0	3	317.451	2.504	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H]1CCCN1C1CCCC1)N1CCCCC1=O	ZINC000330080802	336111833	/nfs/dbraw/zinc/11/18/33/336111833.db2.gz	JOZGGDKAFUPIGJ-ZBFHGGJFSA-N	0	3	321.465	2.751	20	30		DFEDHN
Cc1ncsc1CNC(=O)N1CCC[C@H]1Cn1ccnc1C	ZINC000330201680	336123901	/nfs/dbraw/zinc/12/39/01/336123901.db2.gz	YDSUDAAOMAJDJP-ZDUSSCGKSA-N	0	3	319.434	2.535	20	30		DFEDHN
CN1CC[C@@]2(CCN(C(=O)NCc3cccc4cc[nH]c43)C2)C1	ZINC000330205264	336124089	/nfs/dbraw/zinc/12/40/89/336124089.db2.gz	DHDKFISMMXITDW-GOSISDBHSA-N	0	3	312.417	2.610	20	30		DFEDHN
Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCN(C2CC2)CC1	ZINC000330259152	336130604	/nfs/dbraw/zinc/13/06/04/336130604.db2.gz	NELMPMZYLYYSPL-HNNXBMFYSA-N	0	3	302.422	2.628	20	30		DFEDHN
C=CCCCCCN(C)CCNS(=O)(=O)c1ccccc1	ZINC000351913538	336132939	/nfs/dbraw/zinc/13/29/39/336132939.db2.gz	UDYRNTKSIJKTEA-UHFFFAOYSA-N	0	3	310.463	2.643	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1	ZINC000330284010	336133527	/nfs/dbraw/zinc/13/35/27/336133527.db2.gz	WWYIBNDYFQWBNS-HYVNUMGLSA-N	0	3	324.465	2.647	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000331750401	336147299	/nfs/dbraw/zinc/14/72/99/336147299.db2.gz	GDFWHLLRIQEBIJ-IUODEOHRSA-N	0	3	311.385	2.916	20	30		DFEDHN
N#Cc1cnc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1	ZINC000330358551	336177154	/nfs/dbraw/zinc/17/71/54/336177154.db2.gz	VAEKVGATVFPWDR-LBPRGKRZSA-N	0	3	318.808	2.928	20	30		DFEDHN
C[C@@]12CN(CC(=O)NC3(C#N)CCCCC3)C[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000333648570	336207683	/nfs/dbraw/zinc/20/76/83/336207683.db2.gz	DOCZCZMGFKYNAL-HPFXQQBRSA-N	0	3	315.461	2.697	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1=O	ZINC000352266704	336208497	/nfs/dbraw/zinc/20/84/97/336208497.db2.gz	XEBUCKQNOODGOE-BBWFWOEESA-N	0	3	314.429	2.609	20	30		DFEDHN
CC1(C)Oc2ccsc2[C@@H](N[C@H]2CCC[C@@H](C#N)C2)[C@@H]1O	ZINC000333873160	336211528	/nfs/dbraw/zinc/21/15/28/336211528.db2.gz	PTNNYRWBRNHMRH-OICBVUGWSA-N	0	3	306.431	2.993	20	30		DFEDHN
CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CCC[C@@H](C#N)C2)[C@@H]1O	ZINC000333873157	336211539	/nfs/dbraw/zinc/21/15/39/336211539.db2.gz	PTNNYRWBRNHMRH-CVMIBZJCSA-N	0	3	306.431	2.993	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1	ZINC000417987050	336283945	/nfs/dbraw/zinc/28/39/45/336283945.db2.gz	QXCUAGFCWIQATF-BHYGNILZSA-N	0	3	301.434	2.868	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@](C)(CO)C(C)C	ZINC000352873504	336287063	/nfs/dbraw/zinc/28/70/63/336287063.db2.gz	SOAAGSDWNHOXHT-KRWDZBQOSA-N	0	3	322.474	2.900	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]2C(C)C)c(OC)c1	ZINC000353027638	336380643	/nfs/dbraw/zinc/38/06/43/336380643.db2.gz	OLRSMAIKSZBOLU-IAGOWNOFSA-N	0	3	319.445	2.894	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC	ZINC000353552031	336424485	/nfs/dbraw/zinc/42/44/85/336424485.db2.gz	WHBFTIFIOYGNTR-DZOHQFGASA-N	0	3	316.445	2.618	20	30		DFEDHN
N#C[C@@H]1CN(C(=O)[C@H](C2CC2)N2CCCC2)C[C@@H]1c1ccccc1	ZINC000355895538	336527136	/nfs/dbraw/zinc/52/71/36/336527136.db2.gz	VWAQXSXMYWFPCA-QRVBRYPASA-N	0	3	323.440	2.627	20	30		DFEDHN
C=C(C)COCCN[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1	ZINC000357459463	336585892	/nfs/dbraw/zinc/58/58/92/336585892.db2.gz	NYURSENKASJAMO-KURKYZTESA-N	0	3	305.418	2.794	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)NCC(C)(C)CCC#N	ZINC000358701761	336639699	/nfs/dbraw/zinc/63/96/99/336639699.db2.gz	DFSGRWCIPRAITC-UHFFFAOYSA-N	0	3	320.437	2.683	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H](C)c2cccnc2)CC1	ZINC000359960548	336695534	/nfs/dbraw/zinc/69/55/34/336695534.db2.gz	RGQCABDRMYEJPC-HNNXBMFYSA-N	0	3	301.434	2.732	20	30		DFEDHN
N#CCCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000360474245	336712325	/nfs/dbraw/zinc/71/23/25/336712325.db2.gz	NQGDGYPZYFQCQW-UHFFFAOYSA-N	0	3	317.355	2.602	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1	ZINC000360566248	336714682	/nfs/dbraw/zinc/71/46/82/336714682.db2.gz	GZECLMWRVJRTLZ-RHSMWYFYSA-N	0	3	301.434	2.764	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](N2CCCCC2)C1	ZINC000362861930	336813515	/nfs/dbraw/zinc/81/35/15/336813515.db2.gz	PQJOAQJIFCVDJE-ZWKOTPCHSA-N	0	3	319.493	2.526	20	30		DFEDHN
C#CCSCCN[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000368635687	336849668	/nfs/dbraw/zinc/84/96/68/336849668.db2.gz	QJJNYGSPKBZFQF-KRWDZBQOSA-N	0	3	320.433	2.575	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1	ZINC000369325855	336862502	/nfs/dbraw/zinc/86/25/02/336862502.db2.gz	AQPFAGWDDGRJED-XXQMMXQMSA-N	0	3	323.440	2.815	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H](c3ccccc3)[C@H]2C)CC1	ZINC000369831308	336872624	/nfs/dbraw/zinc/87/26/24/336872624.db2.gz	QPRYWOCPNRDHBE-AYOQOUSVSA-N	0	3	310.441	2.640	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@@H]2CCN(CC(F)F)C2)c1	ZINC000418139461	336896408	/nfs/dbraw/zinc/89/64/08/336896408.db2.gz	URLDWAAAGDRLHU-OAHLLOKOSA-N	0	3	323.387	2.798	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)NC[C@H]1NCCc2ccccc21	ZINC000418214012	336906414	/nfs/dbraw/zinc/90/64/14/336906414.db2.gz	LLJHATJDLBKJCH-MRXNPFEDSA-N	0	3	301.434	2.775	20	30		DFEDHN
C=CCCCCCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C	ZINC000372578963	336934621	/nfs/dbraw/zinc/93/46/21/336934621.db2.gz	VBQKCBFFGWYXRQ-HDMKZQKVSA-N	0	3	308.466	2.724	20	30		DFEDHN
C=C[C@@H](CC(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1	ZINC000121861574	336981819	/nfs/dbraw/zinc/98/18/19/336981819.db2.gz	ICGKIVNQAPARBX-HNNXBMFYSA-N	0	3	312.417	2.743	20	30		DFEDHN
N#CCC[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1	ZINC000375179306	337005311	/nfs/dbraw/zinc/00/53/11/337005311.db2.gz	ILQBXZRKNCWXRV-QGZVFWFLSA-N	0	3	312.417	2.521	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000122673529	337017969	/nfs/dbraw/zinc/01/79/69/337017969.db2.gz	OJZSLYHQSQMPRN-ZDUSSCGKSA-N	0	3	320.308	2.972	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC2(CCOCC2)C1	ZINC000375902125	337022759	/nfs/dbraw/zinc/02/27/59/337022759.db2.gz	MLBKUCCNKGCGRU-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000376107199	337027187	/nfs/dbraw/zinc/02/71/87/337027187.db2.gz	QIPXRVXMWQTMPA-GOSISDBHSA-N	0	3	314.433	2.696	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000376632335	337038618	/nfs/dbraw/zinc/03/86/18/337038618.db2.gz	LOOKPMOXYBFDIB-UHFFFAOYSA-N	0	3	322.452	2.692	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)CC1	ZINC000376743182	337040353	/nfs/dbraw/zinc/04/03/53/337040353.db2.gz	KYPMMNQXKWDJJF-NLWGTHIKSA-N	0	3	310.441	2.729	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000376915356	337043627	/nfs/dbraw/zinc/04/36/27/337043627.db2.gz	NTRJZCMADZTYOU-GOSISDBHSA-N	0	3	322.452	2.772	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCC(C)(C)CCC#N	ZINC000377049213	337046050	/nfs/dbraw/zinc/04/60/50/337046050.db2.gz	WYVDWTCQGDUDLS-JKSUJKDBSA-N	0	3	320.481	2.975	20	30		DFEDHN
COC(=O)[C@@]1(C(F)(F)F)CCN(CC(C)(C)CCC#N)C1	ZINC000377674507	337058029	/nfs/dbraw/zinc/05/80/29/337058029.db2.gz	NPNVWQQPNHRQSY-CYBMUJFWSA-N	0	3	306.328	2.744	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1OC	ZINC000378315044	337069710	/nfs/dbraw/zinc/06/97/10/337069710.db2.gz	OMGPIGNBXPAJRZ-YJBOKZPZSA-N	0	3	303.402	2.917	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(c2nncn2CC)CC1	ZINC000360073299	337084928	/nfs/dbraw/zinc/08/49/28/337084928.db2.gz	FIIVZURFJSJKRY-UHFFFAOYSA-N	0	3	324.428	2.690	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc(C(C)(C)C)s2)CC1	ZINC000171714807	337088777	/nfs/dbraw/zinc/08/87/77/337088777.db2.gz	KZDLYECSTCRBMQ-UHFFFAOYSA-N	0	3	307.463	2.821	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1	ZINC000171712926	337088827	/nfs/dbraw/zinc/08/88/27/337088827.db2.gz	GQGYEYYMIHGKHW-DOTOQJQBSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000171740759	337089117	/nfs/dbraw/zinc/08/91/17/337089117.db2.gz	CUGRZEAERMKEKI-LBPRGKRZSA-N	0	3	319.371	2.621	20	30		DFEDHN
CO[C@H](CC(C)C)CN1CCC(C#N)(c2ccccn2)CC1	ZINC000582775625	337147881	/nfs/dbraw/zinc/14/78/81/337147881.db2.gz	MFNYUOBRIYCAMZ-MRXNPFEDSA-N	0	3	301.434	3.000	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2nc(C)c(C)s2)CC1	ZINC000176500928	337151537	/nfs/dbraw/zinc/15/15/37/337151537.db2.gz	FFYZLUFMNZQBHZ-UHFFFAOYSA-N	0	3	322.478	2.600	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](Cc2nccn2C)C1	ZINC000182093433	337184508	/nfs/dbraw/zinc/18/45/08/337184508.db2.gz	FQFNUAVKUOHZCS-KRWDZBQOSA-N	0	3	323.440	2.887	20	30		DFEDHN
COC(=O)C(C)(C)CNCc1cccc(OCCCC#N)c1	ZINC000182232604	337187593	/nfs/dbraw/zinc/18/75/93/337187593.db2.gz	RWWISZHRHQEEOB-UHFFFAOYSA-N	0	3	304.390	2.658	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000321068149	337193259	/nfs/dbraw/zinc/19/32/59/337193259.db2.gz	ZLCVGFXWYMDEEZ-CYBMUJFWSA-N	0	3	311.809	2.918	20	30		DFEDHN
COC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC	ZINC000185870857	337252265	/nfs/dbraw/zinc/25/22/65/337252265.db2.gz	DIFKBHHMYQCTNI-OCCSQVGLSA-N	0	3	302.374	2.654	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1	ZINC000398164780	337307828	/nfs/dbraw/zinc/30/78/28/337307828.db2.gz	LZXWDNFNDFYXLM-QZDWLRDRSA-N	0	3	311.429	2.705	20	30		DFEDHN
C[C@@H](CC#N)Sc1ccccc1NC[C@@H](O)CN(C)C1CC1	ZINC000583318181	337314852	/nfs/dbraw/zinc/31/48/52/337314852.db2.gz	WOXYLUNIKREORV-DZGCQCFKSA-N	0	3	319.474	2.948	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)[nH]c1C	ZINC000584509905	337351874	/nfs/dbraw/zinc/35/18/74/337351874.db2.gz	GBVDUSDMQLAYLV-UHFFFAOYSA-N	0	3	312.373	2.517	20	30		DFEDHN
CC[C@H](CC(F)(F)F)NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000584586741	337369568	/nfs/dbraw/zinc/36/95/68/337369568.db2.gz	VRBZHEDBAOORIW-CHWSQXEVSA-N	0	3	316.323	2.619	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC(Cc2nccn2C)CC1	ZINC000121790465	337396562	/nfs/dbraw/zinc/39/65/62/337396562.db2.gz	CXUJZWPSOUKZOH-UHFFFAOYSA-N	0	3	323.440	2.887	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCCO1)C(C)C	ZINC000249531833	337570651	/nfs/dbraw/zinc/57/06/51/337570651.db2.gz	ZUDRYXFZZAHLDO-GVDBMIGSSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C(C)(C)C)cn2)CC1	ZINC000421766523	337642789	/nfs/dbraw/zinc/64/27/89/337642789.db2.gz	FSLCKYDZCYLKJW-UHFFFAOYSA-N	0	3	301.434	2.759	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@H](C)C1)C(C)C	ZINC000271824599	337645487	/nfs/dbraw/zinc/64/54/87/337645487.db2.gz	DNRUCNIQDFSVOO-BRWVUGGUSA-N	0	3	308.466	2.616	20	30		DFEDHN
COc1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1	ZINC000424060658	337730933	/nfs/dbraw/zinc/73/09/33/337730933.db2.gz	DAKQCRPDFIOOPG-CVEARBPZSA-N	0	3	303.406	2.530	20	30		DFEDHN
CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H](N)CCCC#N	ZINC000424078911	337731329	/nfs/dbraw/zinc/73/13/29/337731329.db2.gz	QQYTUIZGSCRKHJ-LBPRGKRZSA-N	0	3	314.216	2.973	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@@H]1NCC(=O)NC1(C#N)CCC1	ZINC000527128013	337732431	/nfs/dbraw/zinc/73/24/31/337732431.db2.gz	SAKOXTUVVAJRGJ-KRWDZBQOSA-N	0	3	311.429	2.852	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1C(F)(F)F	ZINC000424098140	337734122	/nfs/dbraw/zinc/73/41/22/337734122.db2.gz	CDPKQTHTTBPCKH-GWCFXTLKSA-N	0	3	313.323	2.904	20	30		DFEDHN
COc1ccc(C2(NC(=O)[C@@H](N)CCCC#N)CCCC2)cc1	ZINC000424112613	337740226	/nfs/dbraw/zinc/74/02/26/337740226.db2.gz	KRDUGDHWMWZLAN-INIZCTEOSA-N	0	3	315.417	2.602	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1	ZINC000424128948	337749953	/nfs/dbraw/zinc/74/99/53/337749953.db2.gz	FRHLMUCHKNATLB-QGZVFWFLSA-N	0	3	324.384	2.620	20	30		DFEDHN
CCC(C#N)(CC)c1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000528154434	337790554	/nfs/dbraw/zinc/79/05/54/337790554.db2.gz	QJCJPZKQWUXENB-VXGBXAGGSA-N	0	3	301.394	2.506	20	30		DFEDHN
CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424482677	337838212	/nfs/dbraw/zinc/83/82/12/337838212.db2.gz	VASIPCKEFXJDHS-IAOVAPTHSA-N	0	3	314.433	2.801	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000515165909	337980973	/nfs/dbraw/zinc/98/09/73/337980973.db2.gz	NSMDZNXZPKWLIJ-HUUCEWRRSA-N	0	3	300.381	2.685	20	30		DFEDHN
C=CCC1(C(=O)N[C@H](C)CN2CCCCCC2)CCOCC1	ZINC000424775597	338012251	/nfs/dbraw/zinc/01/22/51/338012251.db2.gz	PHENHXVTOQYLLM-MRXNPFEDSA-N	0	3	308.466	2.740	20	30		DFEDHN
COc1ccc(CN2CCC[C@@H]2CCO)cc1OCCCC#N	ZINC000428487603	338054688	/nfs/dbraw/zinc/05/46/88/338054688.db2.gz	QXDYZARESABZOA-MRXNPFEDSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000428909151	338064960	/nfs/dbraw/zinc/06/49/60/338064960.db2.gz	WQGLEGIGTRXJJQ-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
N#CCCCCN[C@H](CO)c1ccc(Br)c(F)c1	ZINC000429028222	338069218	/nfs/dbraw/zinc/06/92/18/338069218.db2.gz	CBSLFOBAYUFSPB-CYBMUJFWSA-N	0	3	315.186	2.905	20	30		DFEDHN
N#CCCCCN[C@@H](CO)c1ccc(Br)c(F)c1	ZINC000429028224	338069331	/nfs/dbraw/zinc/06/93/31/338069331.db2.gz	CBSLFOBAYUFSPB-ZDUSSCGKSA-N	0	3	315.186	2.905	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F	ZINC000448459625	338077950	/nfs/dbraw/zinc/07/79/50/338077950.db2.gz	POQHYDGYORMEED-VIFPVBQESA-N	0	3	315.295	2.534	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000429714802	338087953	/nfs/dbraw/zinc/08/79/53/338087953.db2.gz	HESCRESCJSSOGD-DLBZAZTESA-N	0	3	317.477	2.692	20	30		DFEDHN
COc1ccc(Br)c(CN(C)C(=O)C(C)C#N)c1	ZINC000430197096	338099937	/nfs/dbraw/zinc/09/99/37/338099937.db2.gz	UJIJLXLPWVTSHI-VIFPVBQESA-N	0	3	311.179	2.576	20	30		DFEDHN
Cc1ccccc1[C@H](CN1CCOCC1)NCC1(CC#N)CC1	ZINC000430743083	338113023	/nfs/dbraw/zinc/11/30/23/338113023.db2.gz	NSZTYQYUWFJMMI-SFHVURJKSA-N	0	3	313.445	2.652	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCSC2(CCCCC2)C1	ZINC000430770834	338114377	/nfs/dbraw/zinc/11/43/77/338114377.db2.gz	WMWAQWVVHWPBGX-UHFFFAOYSA-N	0	3	308.491	2.939	20	30		DFEDHN
N#CCCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000433021457	338176714	/nfs/dbraw/zinc/17/67/14/338176714.db2.gz	XDIXYWFMPMNXHF-MRXNPFEDSA-N	0	3	313.361	2.816	20	30		DFEDHN
N#CCCC[C@@H](NCC(=O)NCc1ccco1)c1ccccc1	ZINC000433021916	338176823	/nfs/dbraw/zinc/17/68/23/338176823.db2.gz	ZMECAXMIDCRQBI-QGZVFWFLSA-N	0	3	311.385	2.921	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H]2CCCC(=O)N2)cc1Cl	ZINC000433176784	338184163	/nfs/dbraw/zinc/18/41/63/338184163.db2.gz	CETPOONFZDHGLO-CYBMUJFWSA-N	0	3	308.809	2.663	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@H](c2cccc(Cl)c2)C1	ZINC000433321994	338192318	/nfs/dbraw/zinc/19/23/18/338192318.db2.gz	YWXNAFQVKHSWJH-HNNXBMFYSA-N	0	3	319.836	2.891	20	30		DFEDHN
C[C@@H](O)CC(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433371736	338193973	/nfs/dbraw/zinc/19/39/73/338193973.db2.gz	FHXPOINVQHQGMQ-ZBFHGGJFSA-N	0	3	302.418	2.672	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)C1CCC(CO)CC1	ZINC000433370458	338194063	/nfs/dbraw/zinc/19/40/63/338194063.db2.gz	GRAMEDMXPVCPLQ-LXPRWKDFSA-N	0	3	314.429	2.768	20	30		DFEDHN
CC(C)C[C@@H](CCO)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433375208	338194183	/nfs/dbraw/zinc/19/41/83/338194183.db2.gz	GYDIOSKBLPUDBP-QZTJIDSGSA-N	0	3	316.445	2.920	20	30		DFEDHN
C=CCOc1cccc(CN(C)CCN2CCOC(C)(C)C2)c1	ZINC000435052489	338231098	/nfs/dbraw/zinc/23/10/98/338231098.db2.gz	VSQGUEPEZSPYJI-UHFFFAOYSA-N	0	3	318.461	2.794	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C#N)CC	ZINC000436044609	338256632	/nfs/dbraw/zinc/25/66/32/338256632.db2.gz	MUUJBKNXDWLAJV-AWEZNQCLSA-N	0	3	319.478	2.887	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1	ZINC000437500553	338311783	/nfs/dbraw/zinc/31/17/83/338311783.db2.gz	MMTNBHJMSAQLDG-ZACQAIPSSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000437634146	338316749	/nfs/dbraw/zinc/31/67/49/338316749.db2.gz	GNULXHRTYCLFFE-HKUYNNGSSA-N	0	3	318.461	2.504	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCCC[C@H]1CC	ZINC000437711200	338319143	/nfs/dbraw/zinc/31/91/43/338319143.db2.gz	XVGHQLBFLRSVFA-ZACQAIPSSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	ZINC000439625969	338374955	/nfs/dbraw/zinc/37/49/55/338374955.db2.gz	PATBQIKZEBSXMU-ZJIFWQFVSA-N	0	3	308.466	2.593	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1CC(F)(F)C1)C(C)C	ZINC000440553186	338390128	/nfs/dbraw/zinc/39/01/28/338390128.db2.gz	GYXJGMUEZIHYLK-CQSZACIVSA-N	0	3	300.393	2.847	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cccnc3s2)CC1	ZINC000449841829	338655343	/nfs/dbraw/zinc/65/53/43/338655343.db2.gz	BNWATYYVIYGBDB-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
C=CC(C)(C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1	ZINC000450102572	338667123	/nfs/dbraw/zinc/66/71/23/338667123.db2.gz	RFCGHMMVPKVIHZ-UHFFFAOYSA-N	0	3	302.418	2.794	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)C1(C)C	ZINC000450966960	338714977	/nfs/dbraw/zinc/71/49/77/338714977.db2.gz	HPXWMVNBSVACBB-ARFHVFGLSA-N	0	3	323.481	2.568	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCOC1(C)C)C(C)C	ZINC000455257578	338887651	/nfs/dbraw/zinc/88/76/51/338887651.db2.gz	RHPMQRLRQVTRQX-HZPDHXFCSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cccc(CC#N)c1	ZINC000455910126	338913972	/nfs/dbraw/zinc/91/39/72/338913972.db2.gz	TUTXABRIMHVTEW-CQSZACIVSA-N	0	3	314.433	2.947	20	30		DFEDHN
CN1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000458798154	339005616	/nfs/dbraw/zinc/00/56/16/339005616.db2.gz	HHPNIQOGONNZLM-KRWDZBQOSA-N	0	3	314.433	2.769	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000458995027	339010656	/nfs/dbraw/zinc/01/06/56/339010656.db2.gz	GTJOOGDQRISGNK-KRWDZBQOSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=CCC1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCCC1	ZINC000459056590	339012322	/nfs/dbraw/zinc/01/23/22/339012322.db2.gz	WLNMNYFFANXTIJ-MRXNPFEDSA-N	0	3	303.450	2.779	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1CC	ZINC000459767370	339047414	/nfs/dbraw/zinc/04/74/14/339047414.db2.gz	FIWPGRXWPPFKAE-IMJJTQAJSA-N	0	3	322.474	2.808	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000466034878	339191369	/nfs/dbraw/zinc/19/13/69/339191369.db2.gz	FREOXINIJMNJPK-AEFFLSMTSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(C(F)F)CC2)CC1	ZINC000485606076	339707212	/nfs/dbraw/zinc/70/72/12/339707212.db2.gz	IFWQZUPFJCOWPC-UHFFFAOYSA-N	0	3	315.408	2.714	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC)c3cccnc23)CC1	ZINC000490971187	339845017	/nfs/dbraw/zinc/84/50/17/339845017.db2.gz	BMVLTBKCDCBFCL-UHFFFAOYSA-N	0	3	323.396	2.527	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000491122918	339849897	/nfs/dbraw/zinc/84/98/97/339849897.db2.gz	YPCSLLAVACANNR-MRXNPFEDSA-N	0	3	324.346	2.886	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1cc2cccc(OCC)c2o1	ZINC000491744489	339878169	/nfs/dbraw/zinc/87/81/69/339878169.db2.gz	JEEYHQBRVOOYRA-CYBMUJFWSA-N	0	3	314.385	2.622	20	30		DFEDHN
Cc1nnc(C)n1N=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000492150503	339892684	/nfs/dbraw/zinc/89/26/84/339892684.db2.gz	PEWQVVXUMDDXCB-CYBMUJFWSA-N	0	3	309.414	2.526	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C\c2ccc(F)c(F)c2)CC1	ZINC000492920219	339912408	/nfs/dbraw/zinc/91/24/08/339912408.db2.gz	HQRRZHUCZUYOGL-XQRVVYSFSA-N	0	3	306.356	2.745	20	30		DFEDHN
COC(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000494420055	339948679	/nfs/dbraw/zinc/94/86/79/339948679.db2.gz	YELKTEAKPIXILG-INIZCTEOSA-N	0	3	301.390	2.852	20	30		DFEDHN
C=C(Cl)CN[C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C	ZINC000495690262	339990276	/nfs/dbraw/zinc/99/02/76/339990276.db2.gz	XCGKBAPUVVWBRD-JHJVBQTASA-N	0	3	318.845	2.647	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC[C@H](C#N)CCC#N)C1	ZINC000496170447	339999739	/nfs/dbraw/zinc/99/97/39/339999739.db2.gz	KGDZBAYYZAJWJG-ILXRZTDVSA-N	0	3	320.437	2.713	20	30		DFEDHN
C=CCN1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496211350	340000706	/nfs/dbraw/zinc/00/07/06/340000706.db2.gz	DWTHWMNDPUVWLV-CVEARBPZSA-N	0	3	324.465	2.957	20	30		DFEDHN
CCN(C(=O)C(C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496604283	340008772	/nfs/dbraw/zinc/00/87/72/340008772.db2.gz	FIYCUXLQPDJTMJ-UONOGXRCSA-N	0	3	323.437	2.784	20	30		DFEDHN
CCN(C(=O)C(C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496604281	340008777	/nfs/dbraw/zinc/00/87/77/340008777.db2.gz	FIYCUXLQPDJTMJ-KBPBESRZSA-N	0	3	323.437	2.784	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C	ZINC000496715524	340011162	/nfs/dbraw/zinc/01/11/62/340011162.db2.gz	DACXFDARMPWTKQ-STQMWFEESA-N	0	3	323.437	2.688	20	30		DFEDHN
CCN(C)C(=O)OC[C@H]1CCCCN1CCCSCC#N	ZINC000496877361	340015168	/nfs/dbraw/zinc/01/51/68/340015168.db2.gz	UTZDXDMDQOOXQX-CQSZACIVSA-N	0	3	313.467	2.576	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1	ZINC000502767056	340113120	/nfs/dbraw/zinc/11/31/20/340113120.db2.gz	XJZRQMKIUBOUIG-IKGGRYGDSA-N	0	3	323.481	2.626	20	30		DFEDHN
COc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cn1	ZINC000505731880	340175921	/nfs/dbraw/zinc/17/59/21/340175921.db2.gz	AZNLXCLTJUWPOU-NSHDSACASA-N	0	3	324.365	2.946	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(F)F)C(C)C	ZINC000509800266	340279466	/nfs/dbraw/zinc/27/94/66/340279466.db2.gz	XNDMKZDRZBZHIB-ZDUSSCGKSA-N	0	3	303.397	2.592	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1	ZINC000509938338	340283218	/nfs/dbraw/zinc/28/32/18/340283218.db2.gz	OLFMLWUSYXDGTK-MRXNPFEDSA-N	0	3	304.434	2.958	20	30		DFEDHN
C=C(CNC(=O)N(CCN(C)C)CC(C)C)c1ccccc1	ZINC000512659125	340371428	/nfs/dbraw/zinc/37/14/28/340371428.db2.gz	DATUETHGPXDBMJ-UHFFFAOYSA-N	0	3	303.450	2.929	20	30		DFEDHN
C#CCN(C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCC1	ZINC000305056180	340374785	/nfs/dbraw/zinc/37/47/85/340374785.db2.gz	FDWAZJNMZFUUNW-MRXNPFEDSA-N	0	3	312.413	2.785	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1	ZINC000174317963	340385902	/nfs/dbraw/zinc/38/59/02/340385902.db2.gz	IBXVSONIWVZPSO-ZDUSSCGKSA-N	0	3	320.383	2.530	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCC(C#N)CC2)C1	ZINC000195165481	340575414	/nfs/dbraw/zinc/57/54/14/340575414.db2.gz	HXNXPLYOMTUDMN-QGZVFWFLSA-N	0	3	307.438	2.869	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)CCc1ccc(C(F)(F)F)cc1	ZINC000193998915	340587727	/nfs/dbraw/zinc/58/77/27/340587727.db2.gz	QUJLJIJRZIHPHB-GFCCVEGCSA-N	0	3	314.351	2.918	20	30		DFEDHN
CC#CCCN1CCC(Cc2nc(C3CCOCC3)no2)CC1	ZINC000528721568	340730510	/nfs/dbraw/zinc/73/05/10/340730510.db2.gz	ZRYRQXFMHNCFBG-UHFFFAOYSA-N	0	3	317.433	2.632	20	30		DFEDHN
COC[C@]1(N[C@@H]2CCC[C@H](C#N)C2)COc2ccccc2C1	ZINC000529669992	340767485	/nfs/dbraw/zinc/76/74/85/340767485.db2.gz	ZGMQNOGJFUDRDC-LESCRADOSA-N	0	3	300.402	2.679	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cncc(F)c1)C(C)C	ZINC000129862887	340987573	/nfs/dbraw/zinc/98/75/73/340987573.db2.gz	UMSKLFKPAJRABY-MRXNPFEDSA-N	0	3	305.397	2.649	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CCC2(C)C)c(OC)c1	ZINC000545343806	341122582	/nfs/dbraw/zinc/12/25/82/341122582.db2.gz	XKTSBZSDELBKJX-OAHLLOKOSA-N	0	3	305.418	2.648	20	30		DFEDHN
N#CC(=C([O-])c1ccc([C@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446840	341125320	/nfs/dbraw/zinc/12/53/20/341125320.db2.gz	VXJVASHEKBABOO-JKSUJKDBSA-N	0	3	307.353	2.861	20	30		DFEDHN
N#CC(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccncn1	ZINC000545446840	341125321	/nfs/dbraw/zinc/12/53/21/341125321.db2.gz	VXJVASHEKBABOO-JKSUJKDBSA-N	0	3	307.353	2.861	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)CN1Cc1ccccc1	ZINC000134892015	341226159	/nfs/dbraw/zinc/22/61/59/341226159.db2.gz	QJJDLFVSTBGQRG-DOTOQJQBSA-N	0	3	311.429	2.850	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000079221396	341255503	/nfs/dbraw/zinc/25/55/03/341255503.db2.gz	HNOSEKVOROPATL-QGZVFWFLSA-N	0	3	301.434	2.543	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000549655379	341300072	/nfs/dbraw/zinc/30/00/72/341300072.db2.gz	UKSHYTNZVIWZQV-OAHLLOKOSA-N	0	3	303.454	2.652	20	30		DFEDHN
COc1ccc(OC)c(CCCNC[C@@H](C#N)CCC#N)c1	ZINC000550598540	341319311	/nfs/dbraw/zinc/31/93/11/341319311.db2.gz	HUJDMHMJNMKTQI-CQSZACIVSA-N	0	3	301.390	2.670	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000565695821	341535345	/nfs/dbraw/zinc/53/53/45/341535345.db2.gz	KPWOLOIFVUIGQC-FRRDWIJNSA-N	0	3	303.793	2.727	20	30		DFEDHN
Cc1nc2ccccn2c(=O)c1CCN1CCC(CCC#N)CC1	ZINC000577748637	341934202	/nfs/dbraw/zinc/93/42/02/341934202.db2.gz	JTUYDMJJIALQJL-UHFFFAOYSA-N	0	3	324.428	2.561	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)NC(=O)c1ncc(C#N)cc1Cl	ZINC000331972592	533823884	/nfs/dbraw/zinc/82/38/84/533823884.db2.gz	JXNFOQHYMDVVDH-LBPRGKRZSA-N	0	3	320.824	2.601	20	30		DFEDHN
Cc1ccc(N2CCC[C@H](NCc3ccc(C#N)c(C)c3)C2)nn1	ZINC000331819242	534162343	/nfs/dbraw/zinc/16/23/43/534162343.db2.gz	HXRRDYUAWYBITI-SFHVURJKSA-N	0	3	321.428	2.724	20	30		DFEDHN
C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(C2CC2)cc1	ZINC000419362890	518178031	/nfs/dbraw/zinc/17/80/31/518178031.db2.gz	VPYYHIQHSKYJLZ-OAHLLOKOSA-N	0	3	324.428	2.871	20	30		DFEDHN
CCN1CCc2c(cccc2NC(=O)c2ccc(C#N)nc2)C1	ZINC000366412872	521724312	/nfs/dbraw/zinc/72/43/12/521724312.db2.gz	FDJOPGVSLCIAFQ-UHFFFAOYSA-N	0	3	306.369	2.584	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)c1ccc(C#N)cc1	ZINC000363826397	523477208	/nfs/dbraw/zinc/47/72/08/523477208.db2.gz	VIBAHCJYOBEKOW-QRVBRYPASA-N	0	3	313.445	2.540	20	30		DFEDHN
COc1ccc(CN2CCCN(c3ccncc3C#N)CC2)cc1	ZINC000364910891	524027925	/nfs/dbraw/zinc/02/79/25/524027925.db2.gz	SXQBZGWVDMBSMC-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
N#Cc1cc(Br)cnc1NCCN1CCCCC1	ZINC000296607272	534769323	/nfs/dbraw/zinc/76/93/23/534769323.db2.gz	TWAWZENHJHUCNI-UHFFFAOYSA-N	0	3	309.211	2.614	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN(Cc1ccncc1)C1CC1	ZINC000299711833	534818377	/nfs/dbraw/zinc/81/83/77/534818377.db2.gz	QNVKLHWKIGKALB-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1C#N	ZINC000365138130	527221026	/nfs/dbraw/zinc/22/10/26/527221026.db2.gz	OKEJSVOCNQXSJI-QZTJIDSGSA-N	0	3	312.392	2.571	20	30		DFEDHN
CC(C)(C)CCN1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000298836451	527664007	/nfs/dbraw/zinc/66/40/07/527664007.db2.gz	DAVZLHPMYIBOMJ-UHFFFAOYSA-N	0	3	315.461	2.991	20	30		DFEDHN
CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)c(C)c2)C1(C)C	ZINC000332496886	527872483	/nfs/dbraw/zinc/87/24/83/527872483.db2.gz	YMRYCRSQOSOTCL-AEFFLSMTSA-N	0	3	302.418	2.522	20	30		DFEDHN
CC1(C)CCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000299352448	528994846	/nfs/dbraw/zinc/99/48/46/528994846.db2.gz	PGVLCCAWBYRKSN-QWHCGFSZSA-N	0	3	303.431	2.893	20	30		DFEDHN
COCC1(CN2CCN(c3cccc(F)c3C#N)CC2)CCC1	ZINC000361295488	536821928	/nfs/dbraw/zinc/82/19/28/536821928.db2.gz	FQKISLDNQHSXBB-UHFFFAOYSA-N	0	3	317.408	2.636	20	30		DFEDHN
C=C(C)[C@H](Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1)OCC	ZINC000680776313	545541419	/nfs/dbraw/zinc/54/14/19/545541419.db2.gz	DCGWOLWPVLESLX-DKUMPPAJSA-N	0	3	305.422	2.934	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1	ZINC000680998327	545578739	/nfs/dbraw/zinc/57/87/39/545578739.db2.gz	YMGWJYCDHPQHHW-CQSZACIVSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000684987816	546314072	/nfs/dbraw/zinc/31/40/72/546314072.db2.gz	MCPNWMATWMEHBC-IRXDYDNUSA-N	0	3	301.434	2.765	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000685596746	546373490	/nfs/dbraw/zinc/37/34/90/546373490.db2.gz	SEHPGJCZYJWRRR-JYJNAYRXSA-N	0	3	312.816	2.751	20	30		DFEDHN
C=CCC[C@@H](CCC)[NH2+]CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000823894751	608280908	/nfs/dbraw/zinc/28/09/08/608280908.db2.gz	WYOQTJYPKHHCNM-OAHLLOKOSA-N	0	3	315.421	2.970	20	30		DFEDHN
C=CCC[C@@H](CCC)[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000823894751	608280910	/nfs/dbraw/zinc/28/09/10/608280910.db2.gz	WYOQTJYPKHHCNM-OAHLLOKOSA-N	0	3	315.421	2.970	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000076734630	185037024	/nfs/dbraw/zinc/03/70/24/185037024.db2.gz	XEPJYABLBVAPKK-AWEZNQCLSA-N	0	3	320.433	2.607	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCCSC3)C2=O)cc1	ZINC000272864325	210257347	/nfs/dbraw/zinc/25/73/47/210257347.db2.gz	NMSALYVYNZVUED-GDBMZVCRSA-N	0	3	315.442	2.539	20	30		DFEDHN
N#Cc1c(F)cccc1N1CCN(C[C@@H]2CCSC2)CC1	ZINC000278523490	214211055	/nfs/dbraw/zinc/21/10/55/214211055.db2.gz	YLURHEBVBLGALR-ZDUSSCGKSA-N	0	3	305.422	2.572	20	30		DFEDHN
CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1C	ZINC000596176799	398348369	/nfs/dbraw/zinc/34/83/69/398348369.db2.gz	JLQYRQFCNLVAHI-QWHCGFSZSA-N	0	3	302.378	2.694	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N(C)CCN(C)C3CC3)c2c1	ZINC000591931754	398357590	/nfs/dbraw/zinc/35/75/90/398357590.db2.gz	DJIXNBMFFLWJBE-UHFFFAOYSA-N	0	3	310.401	2.645	20	30		DFEDHN
Cc1nc(N[C@@H]2CC[C@H](C#N)C2)cc(N[C@@H]2CC[C@H](C#N)C2)n1	ZINC000564561239	398367471	/nfs/dbraw/zinc/36/74/71/398367471.db2.gz	OSATXFXKDMGVFZ-BYNSBNAKSA-N	0	3	310.405	2.993	20	30		DFEDHN
CN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC12CCCCC2	ZINC000596250542	398367696	/nfs/dbraw/zinc/36/76/96/398367696.db2.gz	FIBXJRMLLNXXGW-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(Cl)c1C	ZINC000578114307	398370030	/nfs/dbraw/zinc/37/00/30/398370030.db2.gz	NSELEPUDBLCAIK-CABCVRRESA-N	0	3	308.809	2.910	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000596258801	398370087	/nfs/dbraw/zinc/37/00/87/398370087.db2.gz	MZBIURKIFDVPSV-CYBMUJFWSA-N	0	3	302.378	2.695	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@H]1c1ncon1	ZINC000578400648	398373113	/nfs/dbraw/zinc/37/31/13/398373113.db2.gz	BUHGACBFKVAPIX-HOTGVXAUSA-N	0	3	324.384	2.896	20	30		DFEDHN
CC(C)(NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1F	ZINC000578548114	398373569	/nfs/dbraw/zinc/37/35/69/398373569.db2.gz	MIFRSEOHCOEITJ-GFCCVEGCSA-N	0	3	311.788	2.852	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2ccc(C)cc2)CC1	ZINC000592070411	398379355	/nfs/dbraw/zinc/37/93/55/398379355.db2.gz	SNSRLCIYXCAMGX-UHFFFAOYSA-N	0	3	316.445	2.921	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccncc2C#N)C1	ZINC000592071389	398380066	/nfs/dbraw/zinc/38/00/66/398380066.db2.gz	IRGZPQKVZQSUHO-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
COCCn1cc2c(n1)[C@@H](NC1CCC(C)(C#N)CC1)CCC2	ZINC000580754933	398385133	/nfs/dbraw/zinc/38/51/33/398385133.db2.gz	YLJOWGHKGNHWRH-PQUAAJSLSA-N	0	3	316.449	2.969	20	30		DFEDHN
N#Cc1ccc(CNc2cccc(CN3CCC(O)CC3)c2)o1	ZINC000083470044	398387102	/nfs/dbraw/zinc/38/71/02/398387102.db2.gz	WIVWJMSTWUBOQU-UHFFFAOYSA-N	0	3	311.385	2.720	20	30		DFEDHN
N#Cc1cnccc1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000592124703	398387331	/nfs/dbraw/zinc/38/73/31/398387331.db2.gz	KCESRCFGZANCSD-AZUAARDMSA-N	0	3	318.424	2.660	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000581255837	398389052	/nfs/dbraw/zinc/38/90/52/398389052.db2.gz	PHFUHEFFNFVYJW-IFIJOSMWSA-N	0	3	319.836	2.651	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN2CCC(CCC#N)CC2)c1	ZINC000581307869	398389697	/nfs/dbraw/zinc/38/96/97/398389697.db2.gz	IFNANLWDOPBEFK-KRWDZBQOSA-N	0	3	302.418	2.751	20	30		DFEDHN
Cc1cccc(C2(NCC(=O)N[C@@](C)(C#N)C3CC3)CCC2)c1	ZINC000592146938	398391628	/nfs/dbraw/zinc/39/16/28/398391628.db2.gz	WUBFSZJOTUWBLW-SFHVURJKSA-N	0	3	311.429	2.772	20	30		DFEDHN
COC(=O)[C@H](CCN1CCC(CC#N)CC1)c1ccccc1	ZINC000581814374	398393379	/nfs/dbraw/zinc/39/33/79/398393379.db2.gz	KIIASCPQYFGULL-QGZVFWFLSA-N	0	3	300.402	2.959	20	30		DFEDHN
C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CCC#N)CC1	ZINC000582000896	398394471	/nfs/dbraw/zinc/39/44/71/398394471.db2.gz	KOQOTYJPCUTOML-OAGGEKHMSA-N	0	3	305.466	2.895	20	30		DFEDHN
CNC(=O)[C@@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1	ZINC000592183708	398399226	/nfs/dbraw/zinc/39/92/26/398399226.db2.gz	FRWCSTGDEZCRKK-CQSZACIVSA-N	0	3	319.371	2.707	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCN(C)C1	ZINC000592235382	398405945	/nfs/dbraw/zinc/40/59/45/398405945.db2.gz	QQTMTSFOSQBLMW-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1	ZINC000066921107	398407412	/nfs/dbraw/zinc/40/74/12/398407412.db2.gz	WFRMWLRUKLXXLZ-UHFFFAOYSA-N	0	3	319.836	2.690	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000066942552	398408234	/nfs/dbraw/zinc/40/82/34/398408234.db2.gz	TXMYEJASBNBUMU-OAHLLOKOSA-N	0	3	322.424	2.697	20	30		DFEDHN
C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(C#N)cc1	ZINC000181651719	199332744	/nfs/dbraw/zinc/33/27/44/199332744.db2.gz	ATFGDSHDZOPTBY-AWEZNQCLSA-N	0	3	323.396	2.735	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1	ZINC000085333369	398413112	/nfs/dbraw/zinc/41/31/12/398413112.db2.gz	BMJAGQHHDRGXFT-PMACEKPBSA-N	0	3	321.424	2.784	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2cccc(O)c2)CC1	ZINC000592352076	398413980	/nfs/dbraw/zinc/41/39/80/398413980.db2.gz	YVSODDNGALKXFL-UHFFFAOYSA-N	0	3	317.433	2.574	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C#N)c1	ZINC000596464456	398420438	/nfs/dbraw/zinc/42/04/38/398420438.db2.gz	SMYFICRFKXZCON-ZBFHGGJFSA-N	0	3	300.406	2.952	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C#N)c1	ZINC000596464453	398420538	/nfs/dbraw/zinc/42/05/38/398420538.db2.gz	SMYFICRFKXZCON-GDBMZVCRSA-N	0	3	300.406	2.952	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000596479192	398425240	/nfs/dbraw/zinc/42/52/40/398425240.db2.gz	MCMLBKOJPFWAGC-HNNXBMFYSA-N	0	3	306.454	2.634	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000596480354	398425272	/nfs/dbraw/zinc/42/52/72/398425272.db2.gz	ASUHGHSAFLEIHY-CQSZACIVSA-N	0	3	317.437	2.721	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncc(Br)cn2)CC1	ZINC000067372301	398432032	/nfs/dbraw/zinc/43/20/32/398432032.db2.gz	QTTQMEVCMLRHPE-UHFFFAOYSA-N	0	3	311.227	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)OCc2ccccc2)CC1	ZINC000181679881	199337226	/nfs/dbraw/zinc/33/72/26/199337226.db2.gz	SKFLTRRVFXCAJU-UHFFFAOYSA-N	0	3	317.433	2.800	20	30		DFEDHN
N#CCCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000417518489	334948866	/nfs/dbraw/zinc/94/88/66/334948866.db2.gz	SRKBDMHPDZTAJV-QGZVFWFLSA-N	0	3	310.401	2.833	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCC(C)CC1	ZINC000067663169	398450138	/nfs/dbraw/zinc/45/01/38/398450138.db2.gz	LWBBGKMBCMZYSZ-OAHLLOKOSA-N	0	3	314.433	2.995	20	30		DFEDHN
CN1CCC(CC(=O)Nc2cc(C#N)ccc2NC2CC2)CC1	ZINC000293056332	530048598	/nfs/dbraw/zinc/04/85/98/530048598.db2.gz	XAMZUDFLSZRSSV-UHFFFAOYSA-N	0	3	312.417	2.803	20	30		DFEDHN
C[C@H](C/N=C/c1cccc(O)c1O)N1CCc2ccccc2C1	ZINC000026432369	398453902	/nfs/dbraw/zinc/45/39/02/398453902.db2.gz	RMOYNGYBCVTBAK-MQMKENTISA-N	0	3	310.397	2.964	20	30		DFEDHN
N#CCN1CCC(N[C@H](c2ncc[nH]2)C2CCCCC2)CC1	ZINC000586789911	398460355	/nfs/dbraw/zinc/46/03/55/398460355.db2.gz	OVGKHXFXNXKFGQ-INIZCTEOSA-N	0	3	301.438	2.609	20	30		DFEDHN
CN(C)C1(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCC1	ZINC000286761181	219152261	/nfs/dbraw/zinc/15/22/61/219152261.db2.gz	KTCUYIOKVQTGEJ-UHFFFAOYSA-N	0	3	317.408	2.575	20	30		DFEDHN
COCC1(CN2CCN([C@H](C#N)c3ccccc3)CC2)CCC1	ZINC000291227671	398478504	/nfs/dbraw/zinc/47/85/04/398478504.db2.gz	TUKXWIKNHCWDIE-GOSISDBHSA-N	0	3	313.445	2.686	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)ccc1OC)[C@@H]1CCN(CC)C1	ZINC000596708612	398483130	/nfs/dbraw/zinc/48/31/30/398483130.db2.gz	OVBVRJOYGRLGIO-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)[C@@H](C)CC#N)c1cccc(OC)c1	ZINC000596711262	398482949	/nfs/dbraw/zinc/48/29/49/398482949.db2.gz	RDYQOMNJIUAHRL-YOEHRIQHSA-N	0	3	317.433	2.744	20	30		DFEDHN
N#CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCCC1	ZINC000029368774	398484840	/nfs/dbraw/zinc/48/48/40/398484840.db2.gz	PVBDFGKRFNHDKN-UHFFFAOYSA-N	0	3	321.490	2.548	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1	ZINC000592826392	398491161	/nfs/dbraw/zinc/49/11/61/398491161.db2.gz	QMOJQCWMYXTYKF-MWLCHTKSSA-N	0	3	301.777	2.954	20	30		DFEDHN
CC(C)(C)OCCN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000068322480	398495503	/nfs/dbraw/zinc/49/55/03/398495503.db2.gz	HCUYCRLSRKDDPU-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
N#CCCCCCC(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000588647296	398500436	/nfs/dbraw/zinc/50/04/36/398500436.db2.gz	KKWOZXUAFDMBKP-KRWDZBQOSA-N	0	3	321.465	2.564	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCCC[C@H]1C	ZINC000596799646	398504227	/nfs/dbraw/zinc/50/42/27/398504227.db2.gz	ZCJHXZHVWWOSEF-VXGBXAGGSA-N	0	3	321.371	2.829	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC1(C)C	ZINC000596827550	398508975	/nfs/dbraw/zinc/50/89/75/398508975.db2.gz	DGJPBLSRVKIQKK-QGZVFWFLSA-N	0	3	313.445	2.885	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)cc1OC)[C@@H]1CCN(CC)C1	ZINC000596840000	398511729	/nfs/dbraw/zinc/51/17/29/398511729.db2.gz	XCFNXEZVLVQWDN-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(F)ccc1N1CCCCC1	ZINC000592958808	398511837	/nfs/dbraw/zinc/51/18/37/398511837.db2.gz	KUCHMULZQRFQHG-AWEZNQCLSA-N	0	3	318.396	2.776	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H](C)CN(C)Cc2ccccc2)n1	ZINC000308164335	398512659	/nfs/dbraw/zinc/51/26/59/398512659.db2.gz	DVBAWTBJWPYOFN-CQSZACIVSA-N	0	3	309.417	2.843	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)n1	ZINC000308183959	398512953	/nfs/dbraw/zinc/51/29/53/398512953.db2.gz	YSJPMFQZCYKNSI-PBHICJAKSA-N	0	3	321.428	2.986	20	30		DFEDHN
C[C@H]1CN(C(=O)NCC2(C#N)CCCCC2)CCN(C2CC2)C1	ZINC000596858210	398515834	/nfs/dbraw/zinc/51/58/34/398515834.db2.gz	YHACTGOTYVDDFY-OAHLLOKOSA-N	0	3	318.465	2.586	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)NCC2(C#N)CCCCC2)C1	ZINC000596864528	398517312	/nfs/dbraw/zinc/51/73/12/398517312.db2.gz	PPLNRFQWGARLKJ-UHFFFAOYSA-N	0	3	320.481	2.882	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)NCC2(C#N)CCCCC2)CCC1	ZINC000596862743	398517392	/nfs/dbraw/zinc/51/73/92/398517392.db2.gz	GPZOPPKBELDXGL-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000596911273	398528041	/nfs/dbraw/zinc/52/80/41/398528041.db2.gz	OEBMVPDBBCFJEF-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2C)CCC1	ZINC000593039607	398528057	/nfs/dbraw/zinc/52/80/57/398528057.db2.gz	MYLKFNDLGGTEFX-HNNXBMFYSA-N	0	3	313.445	2.972	20	30		DFEDHN
CCN(C(=O)Nc1scc(C)c1C#N)[C@H]1CCN(CC)C1	ZINC000596906168	398526940	/nfs/dbraw/zinc/52/69/40/398526940.db2.gz	XUZWZRRTYCKFET-LBPRGKRZSA-N	0	3	306.435	2.876	20	30		DFEDHN
Cc1ccccc1C1(NCC(=O)N[C@](C)(C#N)C2CC2)CCC1	ZINC000593038205	398527163	/nfs/dbraw/zinc/52/71/63/398527163.db2.gz	AHBYZRPRALIOPX-GOSISDBHSA-N	0	3	311.429	2.772	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000091442749	398529523	/nfs/dbraw/zinc/52/95/23/398529523.db2.gz	HAORQUOKNXGLJF-MRXNPFEDSA-N	0	3	322.836	2.530	20	30		DFEDHN
C=CCCC[C@H](C)N1CCC(NS(=O)(=O)CCC)CC1	ZINC000091539303	398534360	/nfs/dbraw/zinc/53/43/60/398534360.db2.gz	YDSJZNYIUCTGFL-AWEZNQCLSA-N	0	3	302.484	2.525	20	30		DFEDHN
C[C@H]1C[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000317070571	398533563	/nfs/dbraw/zinc/53/35/63/398533563.db2.gz	ZSFXRUSTPQXWFU-FOLVSLTJSA-N	0	3	320.458	2.746	20	30		DFEDHN
CC[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000317001890	398533762	/nfs/dbraw/zinc/53/37/62/398533762.db2.gz	NQOSKIQQQJTCKT-HOCLYGCPSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2ccc(C(N)=O)cc2)CC1	ZINC000091579063	398535802	/nfs/dbraw/zinc/53/58/02/398535802.db2.gz	UCMGNHASRGXGAP-HNNXBMFYSA-N	0	3	301.434	2.652	20	30		DFEDHN
CN(C)CCN(Cc1nccs1)Cc1ccc(C#N)cc1	ZINC000589194586	398536006	/nfs/dbraw/zinc/53/60/06/398536006.db2.gz	UYKUPJJXIYACHH-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000091556021	398536067	/nfs/dbraw/zinc/53/60/67/398536067.db2.gz	FRQARKCFQIJOBI-DLBZAZTESA-N	0	3	321.509	2.796	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC2(CC2)C1	ZINC000596973511	398538557	/nfs/dbraw/zinc/53/85/57/398538557.db2.gz	KNZUJDGQNILVRW-UHFFFAOYSA-N	0	3	311.429	2.639	20	30		DFEDHN
N#Cc1cccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1	ZINC000589281498	398543006	/nfs/dbraw/zinc/54/30/06/398543006.db2.gz	VIQIJINIXNGNAJ-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
Cn1cnnc1C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000596987204	398541697	/nfs/dbraw/zinc/54/16/97/398541697.db2.gz	JCXUAKXWRTWOGV-UHFFFAOYSA-N	0	3	321.428	2.750	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCc2ccccc2[C@@H](C)C1	ZINC000593096879	398545065	/nfs/dbraw/zinc/54/50/65/398545065.db2.gz	WKYZTXVZLDQIEO-CVEARBPZSA-N	0	3	313.445	2.656	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](N4CCCC4=O)C3)cc2)CC1	ZINC000597006195	398545149	/nfs/dbraw/zinc/54/51/49/398545149.db2.gz	CLVDGJWSUMBYAN-GOSISDBHSA-N	0	3	323.440	2.829	20	30		DFEDHN
N#Cc1cccc(CNCc2ccc(C(=O)NC3CC3)cc2)c1	ZINC000069063470	398545593	/nfs/dbraw/zinc/54/55/93/398545593.db2.gz	LQHZBMOMICHTNN-UHFFFAOYSA-N	0	3	305.381	2.740	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(Cn4ccnn4)CC3)cc2)CC1	ZINC000597026715	398550824	/nfs/dbraw/zinc/55/08/24/398550824.db2.gz	RQGVSHMHKOVGDJ-UHFFFAOYSA-N	0	3	321.428	2.745	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCc3ccccc32)cc1	ZINC000322027034	398555749	/nfs/dbraw/zinc/55/57/49/398555749.db2.gz	WFLCZWXSGKYMHF-QFBILLFUSA-N	0	3	308.381	2.575	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(C#N)n1)N(C)C	ZINC000589518578	398558260	/nfs/dbraw/zinc/55/82/60/398558260.db2.gz	WNTQARKYURGHDW-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1cccc(-n2cnnn2)c1)c1ccc(C#N)cc1	ZINC000325122307	398563311	/nfs/dbraw/zinc/56/33/11/398563311.db2.gz	XFJZELFLGXEEHR-KGLIPLIRSA-N	0	3	318.384	2.946	20	30		DFEDHN
Cc1nn(C)c(C)c1C[C@H](C)NCc1cccc(F)c1C#N	ZINC000589821359	398577150	/nfs/dbraw/zinc/57/71/50/398577150.db2.gz	QHXVTHWXTHOQSM-NSHDSACASA-N	0	3	300.381	2.769	20	30		DFEDHN
CN1CCC(CC(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000589837531	398578989	/nfs/dbraw/zinc/57/89/89/398578989.db2.gz	AFQBVMRKEJFQNL-UHFFFAOYSA-N	0	3	303.381	2.804	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC(Cn4cnnc4)CC3)cc2)CC1	ZINC000597158197	398578625	/nfs/dbraw/zinc/57/86/25/398578625.db2.gz	OCQUNXYENCVAMF-UHFFFAOYSA-N	0	3	321.428	2.745	20	30		DFEDHN
C=C[C@H]1CCCCN1CCC(=O)N1CCOc2ccccc21	ZINC000348167170	398582919	/nfs/dbraw/zinc/58/29/19/398582919.db2.gz	DFURSHMVQRYFDO-HNNXBMFYSA-N	0	3	300.402	2.843	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCCC[C@H]1C#N	ZINC000597195646	398587342	/nfs/dbraw/zinc/58/73/42/398587342.db2.gz	LTWGVLFWEHSLSU-LJIGWXMPSA-N	0	3	302.422	2.560	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC1CCN(C(=O)c2ccoc2)CC1	ZINC000597199665	398588167	/nfs/dbraw/zinc/58/81/67/398588167.db2.gz	VNWPOWWZEHZLHB-XJKSGUPXSA-N	0	3	301.390	2.556	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCC[C@H]1C#N	ZINC000597195647	398587474	/nfs/dbraw/zinc/58/74/74/398587474.db2.gz	LTWGVLFWEHSLSU-QBYUYEEZSA-N	0	3	302.422	2.560	20	30		DFEDHN
C[C@H]1C[C@@H]1CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000597203369	398590364	/nfs/dbraw/zinc/59/03/64/398590364.db2.gz	ORRDSSGOMHMJOX-WMLDXEAASA-N	0	3	321.428	2.726	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C	ZINC000597222371	398596063	/nfs/dbraw/zinc/59/60/63/398596063.db2.gz	NKBCJMFJTCRRLI-WMLDXEAASA-N	0	3	312.413	2.873	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@@H](CN4CCCC4=O)C3)cc2)CC1	ZINC000597227243	398598102	/nfs/dbraw/zinc/59/81/02/398598102.db2.gz	BOFAMYRFIQFSLP-QGZVFWFLSA-N	0	3	323.440	2.686	20	30		DFEDHN
C[C@H]1c2ccc(F)cc2CCN1CCC(=O)N(C)CCC#N	ZINC000092797482	398600577	/nfs/dbraw/zinc/60/05/77/398600577.db2.gz	SCEOCXPBQRCBGY-ZDUSSCGKSA-N	0	3	303.381	2.507	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)cc1	ZINC000593364405	398610398	/nfs/dbraw/zinc/61/03/98/398610398.db2.gz	GIBMCVGKWVXBOH-UHFFFAOYSA-N	0	3	305.381	2.776	20	30		DFEDHN
C[C@H](NC(=O)N(C)CCN1CCCCC1)c1cccc(C#N)c1	ZINC000593366094	398610456	/nfs/dbraw/zinc/61/04/56/398610456.db2.gz	QMDBDZKVLMCJHN-HNNXBMFYSA-N	0	3	314.433	2.747	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1	ZINC000139296590	186021532	/nfs/dbraw/zinc/02/15/32/186021532.db2.gz	FUYGXZCVXLZIAD-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000590322787	398613927	/nfs/dbraw/zinc/61/39/27/398613927.db2.gz	BSHKSLHTXZPKAL-HNNXBMFYSA-N	0	3	322.412	2.512	20	30		DFEDHN
COCCN(C(=O)C(C)C(F)(F)F)c1ccc(C#N)cc1	ZINC000072497084	398616735	/nfs/dbraw/zinc/61/67/35/398616735.db2.gz	UGFKDCXMSAJADX-SNVBAGLBSA-N	0	3	300.280	2.736	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000597290364	398615250	/nfs/dbraw/zinc/61/52/50/398615250.db2.gz	MHLVXPLYFBCNFC-IPYPFGDCSA-N	0	3	305.447	2.797	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCc2ncccc2C1	ZINC000590406261	398619523	/nfs/dbraw/zinc/61/95/23/398619523.db2.gz	KUIHDZMCSGSJGP-INIZCTEOSA-N	0	3	305.381	2.739	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(C3CC3)CC2)cc1	ZINC000590426757	398621508	/nfs/dbraw/zinc/62/15/08/398621508.db2.gz	URBQQZMSHGTAOO-SFHVURJKSA-N	0	3	307.397	2.889	20	30		DFEDHN
C[C@H]1CN(C(=O)NCC2(C#N)CCCC2)CCN(C2CCC2)C1	ZINC000593430628	398626043	/nfs/dbraw/zinc/62/60/43/398626043.db2.gz	HSUWBKYQGINIRK-OAHLLOKOSA-N	0	3	318.465	2.586	20	30		DFEDHN
CN(Cc1cccs1)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000072702308	398632041	/nfs/dbraw/zinc/63/20/41/398632041.db2.gz	JOISPHWMDKKHDT-OAHLLOKOSA-N	0	3	316.426	2.686	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@@H](CN(CCC#N)CC2CC2)C1	ZINC000590602092	398637757	/nfs/dbraw/zinc/63/77/57/398637757.db2.gz	FGQGADFDSDYXDR-INIZCTEOSA-N	0	3	305.466	2.897	20	30		DFEDHN
C=CCOc1ccc(CN(C)CC2(O)CCCC2)cc1OC	ZINC000093503128	398639793	/nfs/dbraw/zinc/63/97/93/398639793.db2.gz	KFNGLBHBJKHMLF-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
N#CC(C(=O)c1cccc(Br)c1)c1ccncn1	ZINC000354470542	398639837	/nfs/dbraw/zinc/63/98/37/398639837.db2.gz	SKYGNCKCOITIED-NSHDSACASA-N	0	3	302.131	2.729	20	30		DFEDHN
C[C@@]1(CNC(=O)C2(C#N)CCC2)CCCN1Cc1ccccc1	ZINC000363775034	398644991	/nfs/dbraw/zinc/64/49/91/398644991.db2.gz	PUWMYRKDXOHGEC-SFHVURJKSA-N	0	3	311.429	2.851	20	30		DFEDHN
C[C@H](CC#N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1	ZINC000597469924	398646508	/nfs/dbraw/zinc/64/65/08/398646508.db2.gz	YUMWHTPCXWIDDJ-OAHLLOKOSA-N	0	3	314.433	2.696	20	30		DFEDHN
C=CCc1cc(CN(C)[C@H](CO)C(C)(C)C)cc(OC)c1O	ZINC000093821932	398647880	/nfs/dbraw/zinc/64/78/80/398647880.db2.gz	QMTKCASBEVUASY-MRXNPFEDSA-N	0	3	307.434	2.968	20	30		DFEDHN
CN(CCOCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268741920	186374437	/nfs/dbraw/zinc/37/44/37/186374437.db2.gz	ZTPIHMCQNKEMBI-LJQANCHMSA-N	0	3	310.397	2.740	20	30		DFEDHN
C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1	ZINC000590705726	398656155	/nfs/dbraw/zinc/65/61/55/398656155.db2.gz	JZOJGXMBBHRWMA-WMZOPIPTSA-N	0	3	303.450	2.936	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@@H](CC)c2ccncc2)CC1	ZINC000172384077	198089346	/nfs/dbraw/zinc/08/93/46/198089346.db2.gz	MXWMRKREJKVMCK-KRWDZBQOSA-N	0	3	316.449	2.825	20	30		DFEDHN
Cc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)nc1	ZINC000590754683	398666817	/nfs/dbraw/zinc/66/68/17/398666817.db2.gz	OMLDPMNKLGIODG-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
COc1ccc(CN(C)[C@H](C)CCO)cc1OCCCC#N	ZINC000593694741	398672445	/nfs/dbraw/zinc/67/24/45/398672445.db2.gz	RGSRFSZHOAKPMG-CQSZACIVSA-N	0	3	306.406	2.580	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1	ZINC000593699266	398673930	/nfs/dbraw/zinc/67/39/30/398673930.db2.gz	DSXWJQMLTSOCEB-BDJLRTHQSA-N	0	3	322.792	2.784	20	30		DFEDHN
N#CCCCCN1CCC(NC(=O)c2ccccc2F)CC1	ZINC000102397332	398677239	/nfs/dbraw/zinc/67/72/39/398677239.db2.gz	BPLQQINBEUGYEK-UHFFFAOYSA-N	0	3	303.381	2.714	20	30		DFEDHN
CC(C)[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCS1	ZINC000072836400	191236379	/nfs/dbraw/zinc/23/63/79/191236379.db2.gz	UDNSXWIXBMKTLQ-MRXNPFEDSA-N	0	3	317.458	2.960	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1	ZINC000590855291	398687232	/nfs/dbraw/zinc/68/72/32/398687232.db2.gz	AGJCCPKHULVOEC-UHFFFAOYSA-N	0	3	321.384	2.502	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1c1cn[nH]c1	ZINC000597730189	398687600	/nfs/dbraw/zinc/68/76/00/398687600.db2.gz	YTQCLNAFNRDVMG-NVXWUHKLSA-N	0	3	308.385	2.846	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1	ZINC000105264617	398692375	/nfs/dbraw/zinc/69/23/75/398692375.db2.gz	RZKKLZCWYURUPK-MRXNPFEDSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](Cc1nc(C)no1)c1ccccc1	ZINC000277126705	213310946	/nfs/dbraw/zinc/31/09/46/213310946.db2.gz	IELGNFJYXOUKAW-HZPDHXFCSA-N	0	3	301.390	2.579	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1cccn1C)C(C)C	ZINC000073710605	398695379	/nfs/dbraw/zinc/69/53/79/398695379.db2.gz	UVBNNGXETDWAOY-QGZVFWFLSA-N	0	3	318.465	2.523	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000593851215	398696887	/nfs/dbraw/zinc/69/68/87/398696887.db2.gz	RLENULFAMKCKJV-FZKQIMNGSA-N	0	3	316.401	2.562	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000593884540	398699678	/nfs/dbraw/zinc/69/96/78/398699678.db2.gz	YHWZUAFSEZZTLP-UHFFFAOYSA-N	0	3	305.809	2.770	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)[C@H]1CCCN1C1CCCC1)C2	ZINC000593890240	398700913	/nfs/dbraw/zinc/70/09/13/398700913.db2.gz	CAKOEXGHDRHIEY-GOSISDBHSA-N	0	3	309.413	2.807	20	30		DFEDHN
COc1ccc(CNCCN(C)C(=O)OC(C)(C)C)cc1C#N	ZINC000174337261	198321510	/nfs/dbraw/zinc/32/15/10/198321510.db2.gz	UUFSBGQNZWGOIJ-UHFFFAOYSA-N	0	3	319.405	2.523	20	30		DFEDHN
N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)nc1	ZINC000593946733	398706050	/nfs/dbraw/zinc/70/60/50/398706050.db2.gz	JPQGTGNJDMSMFT-IAGOWNOFSA-N	0	3	304.397	2.521	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000593980751	398713151	/nfs/dbraw/zinc/71/31/51/398713151.db2.gz	RMZDIXMHSWXTHI-HNNXBMFYSA-N	0	3	301.434	2.537	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000593996413	398716858	/nfs/dbraw/zinc/71/68/58/398716858.db2.gz	SQUSKLAVTLTSCU-HNNXBMFYSA-N	0	3	301.434	2.535	20	30		DFEDHN
COc1ccc(C#N)cc1CN1C[C@H](c2cnn(C)c2)C(C)(C)C1	ZINC000593998148	398717780	/nfs/dbraw/zinc/71/77/80/398717780.db2.gz	SFBRETUZSRQMQR-QGZVFWFLSA-N	0	3	324.428	2.926	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000597925454	398722768	/nfs/dbraw/zinc/72/27/68/398722768.db2.gz	VLOIGLOTBWODGL-MRXNPFEDSA-N	0	3	311.429	2.844	20	30		DFEDHN
CC(C)COC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033260	398726814	/nfs/dbraw/zinc/72/68/14/398726814.db2.gz	YECAHIRJRXSALR-KRWDZBQOSA-N	0	3	302.418	2.561	20	30		DFEDHN
N#Cc1ccc(C2(NC[C@@H](O)COc3ccccc3)CCC2)cc1	ZINC000594031234	398726948	/nfs/dbraw/zinc/72/69/48/398726948.db2.gz	YYNBMBHPIBYHAY-GOSISDBHSA-N	0	3	322.408	2.967	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(c2ncc(C#N)cc2F)C1	ZINC000591148880	398731620	/nfs/dbraw/zinc/73/16/20/398731620.db2.gz	WDZMNBUXQAACDR-INIZCTEOSA-N	0	3	310.376	2.803	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccco1)N1CCCCCC1	ZINC000074250311	398733591	/nfs/dbraw/zinc/73/35/91/398733591.db2.gz	KLNOHUGVPXQJNA-HNNXBMFYSA-N	0	3	303.406	2.786	20	30		DFEDHN
CC1(C)CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000112731827	398736736	/nfs/dbraw/zinc/73/67/36/398736736.db2.gz	MXZULGRYNUYMQV-INIZCTEOSA-N	0	3	302.418	2.614	20	30		DFEDHN
CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000598016292	398737798	/nfs/dbraw/zinc/73/77/98/398737798.db2.gz	KNMVCLFGRNOAKY-GXTWGEPZSA-N	0	3	302.374	2.735	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376455430	291060973	/nfs/dbraw/zinc/06/09/73/291060973.db2.gz	QGYRJIRJQJMTDL-MAUKXSAKSA-N	0	3	323.440	2.675	20	30		DFEDHN
CC(C)Cc1ccc([C@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000591241629	398741988	/nfs/dbraw/zinc/74/19/88/398741988.db2.gz	QIVOYZAMOVYYSM-LPHOPBHVSA-N	0	3	317.477	2.742	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](C)NC[C@H](O)CN(C)CCC#N)cc1	ZINC000591241628	398742038	/nfs/dbraw/zinc/74/20/38/398742038.db2.gz	QIVOYZAMOVYYSM-APWZRJJASA-N	0	3	317.477	2.742	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c(F)c1	ZINC000152887209	283095612	/nfs/dbraw/zinc/09/56/12/283095612.db2.gz	ZZUVKTJXANABMV-CYBMUJFWSA-N	0	3	319.355	2.537	20	30		DFEDHN
N#Cc1ccc(C(=O)N(CCN2CCCCCC2)C2CCC2)[nH]1	ZINC000359821350	283123183	/nfs/dbraw/zinc/12/31/83/283123183.db2.gz	NYUNBCWZRHXPIL-UHFFFAOYSA-N	0	3	314.433	2.757	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1CC)C(C)C	ZINC000115799846	398756105	/nfs/dbraw/zinc/75/61/05/398756105.db2.gz	ABEPNWKFMRFOHE-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
N#Cc1ccc(CCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1	ZINC000594202822	398765097	/nfs/dbraw/zinc/76/50/97/398765097.db2.gz	SIEICXOZBJSEJC-ZWKOTPCHSA-N	0	3	311.429	2.624	20	30		DFEDHN
COc1cc(Cl)ccc1[C@H](C)NC1CCN(CC#N)CC1	ZINC000591531587	398770067	/nfs/dbraw/zinc/77/00/67/398770067.db2.gz	LMHWSMRXIWWQFG-LBPRGKRZSA-N	0	3	307.825	2.987	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCNC1	ZINC000591590655	398774469	/nfs/dbraw/zinc/77/44/69/398774469.db2.gz	BLKNDXPYORSFIF-LBPRGKRZSA-N	0	3	317.698	2.801	20	30		DFEDHN
C[C@@H](NC(=O)[C@]1(C#N)CCNC1)c1ccc(Cl)cc1Cl	ZINC000591592278	398774519	/nfs/dbraw/zinc/77/45/19/398774519.db2.gz	NYRKPVTWTVUFJV-OTYXRUKQSA-N	0	3	312.200	2.674	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000598218110	398772738	/nfs/dbraw/zinc/77/27/38/398772738.db2.gz	GAZLCWZTGFMHKU-ZDUSSCGKSA-N	0	3	301.390	2.597	20	30		DFEDHN
N#C[C@]1(C(=O)NCc2ccccc2Oc2ccccc2)CCNC1	ZINC000591603139	398775134	/nfs/dbraw/zinc/77/51/34/398775134.db2.gz	XMWMUDGLRRZTJR-LJQANCHMSA-N	0	3	321.380	2.598	20	30		DFEDHN
N#C[C@@]1(C(=O)NCC2(c3ccccc3)CCCCC2)CCNC1	ZINC000591598353	398775140	/nfs/dbraw/zinc/77/51/40/398775140.db2.gz	VFTZMRUNWPDQRO-IBGZPJMESA-N	0	3	311.429	2.508	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(CC)cc2)CC1	ZINC000119276370	398775186	/nfs/dbraw/zinc/77/51/86/398775186.db2.gz	GQCPQAMSTGQLRK-UHFFFAOYSA-N	0	3	300.446	2.948	20	30		DFEDHN
CN(Cc1ccccc1-c1ccccc1)C(=O)[C@]1(C#N)CCNC1	ZINC000591599272	398775240	/nfs/dbraw/zinc/77/52/40/398775240.db2.gz	UVAWDIMWOYPZSJ-FQEVSTJZSA-N	0	3	319.408	2.815	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCNC1	ZINC000591602718	398775528	/nfs/dbraw/zinc/77/55/28/398775528.db2.gz	BCMNEMGMWBIHBZ-INIZCTEOSA-N	0	3	312.398	2.615	20	30		DFEDHN
N#C[C@@]1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCNC1	ZINC000591606941	398775944	/nfs/dbraw/zinc/77/59/44/398775944.db2.gz	BIKYFVTTXVMDIF-FQEVSTJZSA-N	0	3	317.392	2.699	20	30		DFEDHN
CC[C@@H]1CN(C(=O)[C@@]2(C#N)CCNC2)CC[C@@H]1c1ccccc1	ZINC000591625876	398776947	/nfs/dbraw/zinc/77/69/47/398776947.db2.gz	CWNMUEHXLYXMGX-HHXXYDBFSA-N	0	3	311.429	2.532	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000598259680	398779624	/nfs/dbraw/zinc/77/96/24/398779624.db2.gz	DUBOANGBBAJJQB-QAPCUYQASA-N	0	3	303.450	2.697	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC([C@@H]3CCCOC3)CC2)cc1	ZINC000374847894	283188698	/nfs/dbraw/zinc/18/86/98/283188698.db2.gz	UASXSSNTMNVILH-RTBURBONSA-N	0	3	314.429	2.730	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728477	398782868	/nfs/dbraw/zinc/78/28/68/398782868.db2.gz	ZTNTZJMSSUUVOD-UONOGXRCSA-N	0	3	318.371	2.824	20	30		DFEDHN
C[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCCC[C@H]1C	ZINC000048415795	398783264	/nfs/dbraw/zinc/78/32/64/398783264.db2.gz	OGXNYHOHCPSNFF-SJORKVTESA-N	0	3	313.445	2.600	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CN[C@H]2CCc3cc(C#N)ccc32)c1	ZINC000591764188	398785385	/nfs/dbraw/zinc/78/53/85/398785385.db2.gz	WDJFRUGUWKRTRM-PXNSSMCTSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)c1	ZINC000591764190	398785413	/nfs/dbraw/zinc/78/54/13/398785413.db2.gz	WDJFRUGUWKRTRM-YLJYHZDGSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@H]2CCc3cc(C#N)ccc32)cc1	ZINC000591763693	398785546	/nfs/dbraw/zinc/78/55/46/398785546.db2.gz	CEHLXABTASRVQQ-PXNSSMCTSA-N	0	3	322.408	2.884	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)CNc1cccc(CC#N)c1	ZINC000591776745	398786958	/nfs/dbraw/zinc/78/69/58/398786958.db2.gz	JQRAOUVYDIUZMC-IBGZPJMESA-N	0	3	309.413	2.657	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCCC[C@H]1C	ZINC000048977611	398790015	/nfs/dbraw/zinc/79/00/15/398790015.db2.gz	VJPDDKKNOSTJCX-CABCVRRESA-N	0	3	314.433	2.620	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3cc(C)ncc3C#N)c2)CC1	ZINC000591823041	398792021	/nfs/dbraw/zinc/79/20/21/398792021.db2.gz	BDIORMDIAKQRNO-UHFFFAOYSA-N	0	3	321.428	2.569	20	30		DFEDHN
CCSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1	ZINC000598330123	398793727	/nfs/dbraw/zinc/79/37/27/398793727.db2.gz	WROULQPNNQGCMS-OAHLLOKOSA-N	0	3	313.426	2.642	20	30		DFEDHN
CCN1C[C@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000591850183	398794586	/nfs/dbraw/zinc/79/45/86/398794586.db2.gz	OJBJTGYNOICYIK-ZQIUZPCESA-N	0	3	314.433	2.601	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000049612121	398795965	/nfs/dbraw/zinc/79/59/65/398795965.db2.gz	NHMZGXOQNOEBJJ-SFHVURJKSA-N	0	3	307.397	2.785	20	30		DFEDHN
CCCn1c2ccccc2nc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594424345	398797170	/nfs/dbraw/zinc/79/71/70/398797170.db2.gz	AZVOYLCSHNPNTB-ZDUSSCGKSA-N	0	3	313.405	2.796	20	30		DFEDHN
C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594425911	398797802	/nfs/dbraw/zinc/79/78/02/398797802.db2.gz	BHZRGZHNCQGYGN-IAQYHMDHSA-N	0	3	309.360	2.895	20	30		DFEDHN
CC(C)OCc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594426024	398797808	/nfs/dbraw/zinc/79/78/08/398797808.db2.gz	CABOFIXLMDRIND-KRWDZBQOSA-N	0	3	317.433	2.639	20	30		DFEDHN
CC(C)COc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594425650	398798028	/nfs/dbraw/zinc/79/80/28/398798028.db2.gz	AYAMAZUGLPKXAY-MRXNPFEDSA-N	0	3	317.433	2.749	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000594430345	398799449	/nfs/dbraw/zinc/79/94/49/398799449.db2.gz	ZUNGUAZFEIFBLT-SRVKXCTJSA-N	0	3	305.344	2.635	20	30		DFEDHN
CC(C)C(=O)Nc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594428587	398798898	/nfs/dbraw/zinc/79/88/98/398798898.db2.gz	ZNNWNTUQVIZTSK-HNNXBMFYSA-N	0	3	316.405	2.631	20	30		DFEDHN
C[C@H](NCc1cc(C#N)ccc1Br)[C@H]1CCOC1	ZINC000276885012	213154562	/nfs/dbraw/zinc/15/45/62/213154562.db2.gz	JJTVCUQNGLMHDM-JQWIXIFHSA-N	0	3	309.207	2.835	20	30		DFEDHN
Cc1nccc(-c2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)n1	ZINC000594430106	398799361	/nfs/dbraw/zinc/79/93/61/398799361.db2.gz	VUXAQEJXRLKGNF-INIZCTEOSA-N	0	3	323.400	2.802	20	30		DFEDHN
Cc1cc(C)c(CCNC(=O)[C@H](N)CCCCC#N)c(C)c1	ZINC000594429685	398799592	/nfs/dbraw/zinc/79/95/92/398799592.db2.gz	VNDAOKRKLLHBQG-QGZVFWFLSA-N	0	3	301.434	2.682	20	30		DFEDHN
CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594430135	398799778	/nfs/dbraw/zinc/79/97/78/398799778.db2.gz	WGHGUJXRNYOKRI-CYBMUJFWSA-N	0	3	322.796	2.648	20	30		DFEDHN
CC(C)n1ncc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc21	ZINC000594431549	398799842	/nfs/dbraw/zinc/79/98/42/398799842.db2.gz	NWIJMUNQAWDETB-HNNXBMFYSA-N	0	3	313.405	2.967	20	30		DFEDHN
Cc1cc(C)cc(C[C@H](C)NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594432712	398800493	/nfs/dbraw/zinc/80/04/93/398800493.db2.gz	GAMFFJRRBXCOJR-DOTOQJQBSA-N	0	3	301.434	2.762	20	30		DFEDHN
C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccc(Cl)cc1	ZINC000594434195	398801270	/nfs/dbraw/zinc/80/12/70/398801270.db2.gz	XRRRFCMTIXOXLM-SWLSCSKDSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1	ZINC000594435188	398801403	/nfs/dbraw/zinc/80/14/03/398801403.db2.gz	BEGMQFOGNSDNFM-INIZCTEOSA-N	0	3	317.408	2.775	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C12CCCC2	ZINC000594434377	398801621	/nfs/dbraw/zinc/80/16/21/398801621.db2.gz	YLOPLCGNGFTKBQ-OWCLPIDISA-N	0	3	321.465	2.594	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2[nH]1	ZINC000594438616	398802260	/nfs/dbraw/zinc/80/22/60/398802260.db2.gz	OVIYMVSABDIPFN-QWHCGFSZSA-N	0	3	313.405	2.541	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1	ZINC000594433983	398801674	/nfs/dbraw/zinc/80/16/74/398801674.db2.gz	VRVDKLZXZGBYCS-AWEZNQCLSA-N	0	3	305.809	2.857	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2cccc(Cl)c2)CC1	ZINC000050024838	398801981	/nfs/dbraw/zinc/80/19/81/398801981.db2.gz	QSLUWJQBWZRCHJ-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2(c3ccccc3)CCC2)CC1	ZINC000050026635	398802136	/nfs/dbraw/zinc/80/21/36/398802136.db2.gz	IXZVRBISEVMQHP-UHFFFAOYSA-N	0	3	310.441	2.570	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCc2cc(Cl)ccc2C1	ZINC000594437291	398802189	/nfs/dbraw/zinc/80/21/89/398802189.db2.gz	MVTBFDWQHNNOQT-OAHLLOKOSA-N	0	3	305.809	2.636	20	30		DFEDHN
Cc1nc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)cs1	ZINC000594438792	398802579	/nfs/dbraw/zinc/80/25/79/398802579.db2.gz	XDARWHBEJUHKGH-OCCSQVGLSA-N	0	3	306.435	2.526	20	30		DFEDHN
CC[C@@H](c1ccncc1)N(CC)C(=O)[C@H](N)CCCCC#N	ZINC000594437144	398802663	/nfs/dbraw/zinc/80/26/63/398802663.db2.gz	LKCKTUFDJFXJTO-CVEARBPZSA-N	0	3	302.422	2.792	20	30		DFEDHN
CC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)c1nc(C)cs1	ZINC000594440029	398802913	/nfs/dbraw/zinc/80/29/13/398802913.db2.gz	XYKTUVYCQOUVAQ-SWLSCSKDSA-N	0	3	308.451	2.604	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1	ZINC000594441631	398802988	/nfs/dbraw/zinc/80/29/88/398802988.db2.gz	UAPHVDBQITZSOH-INIZCTEOSA-N	0	3	300.406	2.637	20	30		DFEDHN
CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594439914	398803011	/nfs/dbraw/zinc/80/30/11/398803011.db2.gz	SNRYDUQOEIVISH-LBPRGKRZSA-N	0	3	322.796	2.648	20	30		DFEDHN
C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594442297	398803133	/nfs/dbraw/zinc/80/31/33/398803133.db2.gz	CHGBRPXIXYOLRT-LRDDRELGSA-N	0	3	303.381	2.683	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCCC#N)Cc1ccccc1	ZINC000594446115	398804891	/nfs/dbraw/zinc/80/48/91/398804891.db2.gz	QLIBOYXSPYSFID-MRXNPFEDSA-N	0	3	301.434	2.783	20	30		DFEDHN
CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@H](N)CCCCC#N	ZINC000594447223	398805370	/nfs/dbraw/zinc/80/53/70/398805370.db2.gz	VVPHQKRGESRTKY-CQSZACIVSA-N	0	3	311.788	2.849	20	30		DFEDHN
Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445528	398804776	/nfs/dbraw/zinc/80/47/76/398804776.db2.gz	HADJMMQDZZKWLH-INIZCTEOSA-N	0	3	314.433	2.945	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCCC#N	ZINC000594445567	398804837	/nfs/dbraw/zinc/80/48/37/398804837.db2.gz	HVHZAIVNCMJWEJ-SJORKVTESA-N	0	3	319.424	2.920	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)c2c(O)cccc21	ZINC000594456183	398806405	/nfs/dbraw/zinc/80/64/05/398806405.db2.gz	KZCMLCDGFZPTFL-OCCSQVGLSA-N	0	3	301.390	2.644	20	30		DFEDHN
C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)c2c(O)cccc21	ZINC000594456180	398806515	/nfs/dbraw/zinc/80/65/15/398806515.db2.gz	KZCMLCDGFZPTFL-GXTWGEPZSA-N	0	3	301.390	2.644	20	30		DFEDHN
Cn1c(NC(=O)[C@@H](N)CCCCC#N)nc2cccc(Cl)c21	ZINC000594467859	398806996	/nfs/dbraw/zinc/80/69/96/398806996.db2.gz	HMUVHBLCDACVEZ-NSHDSACASA-N	0	3	319.796	2.576	20	30		DFEDHN
C[C@@]1(C#N)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1	ZINC000598414198	398808890	/nfs/dbraw/zinc/80/88/90/398808890.db2.gz	AKJDJRHIKJARBS-IBGZPJMESA-N	0	3	311.429	2.661	20	30		DFEDHN
CN(C)CCn1cc(NCc2ccc(C(C)(C)C#N)cc2)cn1	ZINC000594501910	398810871	/nfs/dbraw/zinc/81/08/71/398810871.db2.gz	FESDWNLECYODQV-UHFFFAOYSA-N	0	3	311.433	2.858	20	30		DFEDHN
COC[C@H](CC(C)(C)C)NCc1cnc2ccc(C#N)cn12	ZINC000594515602	398814548	/nfs/dbraw/zinc/81/45/48/398814548.db2.gz	OITLMTQQRIUKJB-AWEZNQCLSA-N	0	3	300.406	2.747	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1F	ZINC000050821522	398813689	/nfs/dbraw/zinc/81/36/89/398813689.db2.gz	MFDHEFGDBFBGAA-CYBMUJFWSA-N	0	3	312.348	2.942	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCc2ccc(CC(N)=O)cc2)cc1	ZINC000594520864	398815557	/nfs/dbraw/zinc/81/55/57/398815557.db2.gz	NRHUDTVORHQKRN-UHFFFAOYSA-N	0	3	321.424	2.805	20	30		DFEDHN
N#Cc1nnc2ccccc2c1N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594597970	398827472	/nfs/dbraw/zinc/82/74/72/398827472.db2.gz	FOVYSWUVBOEAJB-WBVHZDCISA-N	0	3	307.401	2.930	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1C[C@@H](C)S[C@@H](C)C1	ZINC000075893130	398827595	/nfs/dbraw/zinc/82/75/95/398827595.db2.gz	LLVGTHNZENDJNL-BETUJISGSA-N	0	3	306.431	2.771	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000051557587	398823755	/nfs/dbraw/zinc/82/37/55/398823755.db2.gz	ICPWJRRMMCWKMI-GOSISDBHSA-N	0	3	311.429	2.783	20	30		DFEDHN
C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1	ZINC000179856657	199089376	/nfs/dbraw/zinc/08/93/76/199089376.db2.gz	CWCTWSWQYMUZOJ-NSHDSACASA-N	0	3	321.808	2.555	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c1	ZINC000051556896	398823863	/nfs/dbraw/zinc/82/38/63/398823863.db2.gz	CYYABONUFASGQL-SFHVURJKSA-N	0	3	311.429	2.783	20	30		DFEDHN
N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1	ZINC000594596707	398826868	/nfs/dbraw/zinc/82/68/68/398826868.db2.gz	BGFZUIHTVSFARW-UKRRQHHQSA-N	0	3	300.362	2.895	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1C[C@H](C)S[C@@H](C)C1	ZINC000075893133	398827409	/nfs/dbraw/zinc/82/74/09/398827409.db2.gz	LLVGTHNZENDJNL-STQMWFEESA-N	0	3	306.431	2.771	20	30		DFEDHN
CC#CCN1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000075926150	398829451	/nfs/dbraw/zinc/82/94/51/398829451.db2.gz	PVLMWVKXANFABG-ZDUSSCGKSA-N	0	3	304.356	2.523	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCO1	ZINC000179917926	199094170	/nfs/dbraw/zinc/09/41/70/199094170.db2.gz	AZOJGYOJONDGNC-QGZVFWFLSA-N	0	3	310.401	2.570	20	30		DFEDHN
N#Cc1cnc2ccccc2c1N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594603296	398829912	/nfs/dbraw/zinc/82/99/12/398829912.db2.gz	SYZRTHJMNXNSBV-MSOLQXFVSA-N	0	3	306.413	2.957	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1	ZINC000594607221	398830485	/nfs/dbraw/zinc/83/04/85/398830485.db2.gz	RJPUDIJHVZQPAW-KRWDZBQOSA-N	0	3	321.428	2.964	20	30		DFEDHN
CCOC(=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000594611723	398833126	/nfs/dbraw/zinc/83/31/26/398833126.db2.gz	KABPVGYBINMBTF-UHFFFAOYSA-N	0	3	300.402	2.921	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCO1	ZINC000179975111	199101496	/nfs/dbraw/zinc/10/14/96/199101496.db2.gz	BMEKMZLSIGVXIQ-SFHVURJKSA-N	0	3	324.428	2.960	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](CC)c1cccc(Br)c1	ZINC000180037440	199110767	/nfs/dbraw/zinc/11/07/67/199110767.db2.gz	NHGNHABXUQLGFG-ZDUSSCGKSA-N	0	3	311.223	2.792	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(CCc1ccccc1)[C@H]1CCOC1	ZINC000598592931	398837411	/nfs/dbraw/zinc/83/74/11/398837411.db2.gz	NUAAGJVBYGCGGU-ROUUACIJSA-N	0	3	316.445	2.621	20	30		DFEDHN
COc1ccc(OC)c([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c1	ZINC000598599559	398839184	/nfs/dbraw/zinc/83/91/84/398839184.db2.gz	JVGOEAJEJFIZHX-CHWSQXEVSA-N	0	3	306.406	2.655	20	30		DFEDHN
COc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598599537	398839378	/nfs/dbraw/zinc/83/93/78/398839378.db2.gz	BZKXQPUSTXGVKX-TZMCWYRMSA-N	0	3	306.406	2.655	20	30		DFEDHN
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N	ZINC000598603771	398839966	/nfs/dbraw/zinc/83/99/66/398839966.db2.gz	GKSUGUNXCAZOHN-TZMCWYRMSA-N	0	3	306.454	2.898	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@@]2(C1)OCc1ccccc12	ZINC000598606361	398840531	/nfs/dbraw/zinc/84/05/31/398840531.db2.gz	FAWRZYYYCLSEHO-LPHOPBHVSA-N	0	3	314.429	2.809	20	30		DFEDHN
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)CC(C)(C)C#N	ZINC000598596463	398838469	/nfs/dbraw/zinc/83/84/69/398838469.db2.gz	RUXBNYJIBUCVOM-DZKLMBRESA-N	0	3	322.474	2.718	20	30		DFEDHN
C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1	ZINC000180064093	199113927	/nfs/dbraw/zinc/11/39/27/199113927.db2.gz	GQAVUXKAOMSLPL-AWEZNQCLSA-N	0	3	310.401	2.570	20	30		DFEDHN
Cc1ncccc1OC[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N	ZINC000598623058	398842891	/nfs/dbraw/zinc/84/28/91/398842891.db2.gz	UKOALURITVWDQP-HOTGVXAUSA-N	0	3	317.433	2.534	20	30		DFEDHN
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C[C@H](O)CC(C)(C)C#N	ZINC000598623054	398842947	/nfs/dbraw/zinc/84/29/47/398842947.db2.gz	UDMJWYDGRSEUSI-QLFBSQMISA-N	0	3	324.465	2.729	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2F)CCCC1	ZINC000598666649	398850930	/nfs/dbraw/zinc/85/09/30/398850930.db2.gz	LKUMSVHITKRZPO-OAHLLOKOSA-N	0	3	321.371	2.871	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CCCC)COC)CC1	ZINC000132213402	398855492	/nfs/dbraw/zinc/85/54/92/398855492.db2.gz	ABFVRTXLORICAL-INIZCTEOSA-N	0	3	311.470	2.531	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000180498695	199167263	/nfs/dbraw/zinc/16/72/63/199167263.db2.gz	TVVYBVKPJSXQQJ-BBRMVZONSA-N	0	3	309.417	2.939	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598718364	398860440	/nfs/dbraw/zinc/86/04/40/398860440.db2.gz	AHCGKKBMKZERTF-UKRRQHHQSA-N	0	3	318.465	2.906	20	30		DFEDHN
N#CC1(c2ccc(CNCc3ccc(C(N)=O)cc3)cc2)CC1	ZINC000594929286	398874187	/nfs/dbraw/zinc/87/41/87/398874187.db2.gz	TYYKTGBVCDYTFT-UHFFFAOYSA-N	0	3	305.381	2.630	20	30		DFEDHN
N#Cc1ccccc1CSCCNCc1cnc2n1CCC2	ZINC000594918189	398870993	/nfs/dbraw/zinc/87/09/93/398870993.db2.gz	MOCRPURGDVRKAF-UHFFFAOYSA-N	0	3	312.442	2.724	20	30		DFEDHN
N#Cc1ccccc1CSCCNCc1cnn2c1CCC2	ZINC000594919154	398871199	/nfs/dbraw/zinc/87/11/99/398871199.db2.gz	OXYRUJXVRXYXRC-UHFFFAOYSA-N	0	3	312.442	2.724	20	30		DFEDHN
CCC[C@@H](C)C(=O)NCCNCc1ccc(C2(C#N)CC2)cc1	ZINC000594943548	398878264	/nfs/dbraw/zinc/87/82/64/398878264.db2.gz	LBXVSNABPVLMTO-OAHLLOKOSA-N	0	3	313.445	2.884	20	30		DFEDHN
C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(C2(C#N)CC2)cc1	ZINC000594933196	398874946	/nfs/dbraw/zinc/87/49/46/398874946.db2.gz	ZZZFBROINDUCRR-WMLDXEAASA-N	0	3	300.402	2.525	20	30		DFEDHN
CO[C@@H](CNCc1cccc(OCCCC#N)c1)[C@H]1CCOC1	ZINC000594954478	398880947	/nfs/dbraw/zinc/88/09/47/398880947.db2.gz	ZYSYQNBZRQXUKJ-WMZOPIPTSA-N	0	3	318.417	2.510	20	30		DFEDHN
CC1CCC2(CC1)OC[C@H](CNCc1cccc(C#N)c1)O2	ZINC000181087254	199251133	/nfs/dbraw/zinc/25/11/33/199251133.db2.gz	HWEPNAVGCDVVDU-GMXGEUMGSA-N	0	3	300.402	2.970	20	30		DFEDHN
CC(C)(CNCc1cccc(C#N)n1)N1CCc2ccccc2C1	ZINC000598912093	398892159	/nfs/dbraw/zinc/89/21/59/398892159.db2.gz	ATRVGTZVLVLERC-UHFFFAOYSA-N	0	3	320.440	2.880	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC	ZINC000595054109	398898352	/nfs/dbraw/zinc/89/83/52/398898352.db2.gz	XMGRDMNNGAPFLS-GLQYFDAESA-N	0	3	306.362	2.988	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccc(C(=O)OC(C)(C)C)s1	ZINC000598974631	398901072	/nfs/dbraw/zinc/90/10/72/398901072.db2.gz	RUBDAFSXRKBORX-GFCCVEGCSA-N	0	3	311.447	2.978	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000595066393	398901408	/nfs/dbraw/zinc/90/14/08/398901408.db2.gz	WTIFUTJQPFHQGS-FRQROOTJSA-N	0	3	320.408	2.914	20	30		DFEDHN
C[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1F	ZINC000595098674	398904899	/nfs/dbraw/zinc/90/48/99/398904899.db2.gz	DPDIOYPFSTWCMK-JSGCOSHPSA-N	0	3	317.408	2.995	20	30		DFEDHN
COc1ccc(CN[C@H]2C[C@H](OC)C2)cc1OCCCC#N	ZINC000599013899	398907352	/nfs/dbraw/zinc/90/73/52/398907352.db2.gz	ANMZPBAEFYCWNN-SHTZXODSSA-N	0	3	304.390	2.645	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1	ZINC000599053369	398913931	/nfs/dbraw/zinc/91/39/31/398913931.db2.gz	GRZCAZBWFZXSDO-QZTJIDSGSA-N	0	3	314.429	2.950	20	30		DFEDHN
COc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1F	ZINC000595256836	398913651	/nfs/dbraw/zinc/91/36/51/398913651.db2.gz	UVBBBCMUKGPDHC-LSDHHAIUSA-N	0	3	319.380	2.519	20	30		DFEDHN
CCCCNC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595292221	398916588	/nfs/dbraw/zinc/91/65/88/398916588.db2.gz	VZQSLIMAYQFXQN-UHFFFAOYSA-N	0	3	313.445	2.729	20	30		DFEDHN
C[C@@H]1CN(CCN(Cc2ccc(C#N)cc2)C2CC2)C[C@@H](C)O1	ZINC000595296847	398918583	/nfs/dbraw/zinc/91/85/83/398918583.db2.gz	MIGDCNZOGLEDKC-HZPDHXFCSA-N	0	3	313.445	2.632	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCN(C2CCC2)C1=O	ZINC000599092999	398920272	/nfs/dbraw/zinc/92/02/72/398920272.db2.gz	LSISTVMAKJEVEG-MSOLQXFVSA-N	0	3	309.413	2.679	20	30		DFEDHN
Cc1noc([C@@H]2OCC[C@@H]2N[C@H]2CCCc3cc(C#N)ccc32)n1	ZINC000599094194	398920896	/nfs/dbraw/zinc/92/08/96/398920896.db2.gz	ZSZHKGLQTMCJEL-YESZJQIVSA-N	0	3	324.384	2.747	20	30		DFEDHN
CCn1cnnc1C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595310325	398921215	/nfs/dbraw/zinc/92/12/15/398921215.db2.gz	FAVMTAIMBJQPDA-UHFFFAOYSA-N	0	3	309.417	2.592	20	30		DFEDHN
N#Cc1cnc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1	ZINC000599128312	398925612	/nfs/dbraw/zinc/92/56/12/398925612.db2.gz	WJYSDMLUIMXYMN-CQSZACIVSA-N	0	3	315.377	2.680	20	30		DFEDHN
COc1ccc(CN[C@H](CO)Cc2cccc(C)c2)cc1C#N	ZINC000189028111	200338464	/nfs/dbraw/zinc/33/84/64/200338464.db2.gz	OEOJTJYHYVAKSH-SFHVURJKSA-N	0	3	310.397	2.569	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC([C@H]2CCCO2)CC1	ZINC000189227820	200366933	/nfs/dbraw/zinc/36/69/33/200366933.db2.gz	DMULSRMPQYRCSI-QGZVFWFLSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1ccc(C2=CCN(CC3(O)CCSCC3)CC2)cc1	ZINC000595406603	398933432	/nfs/dbraw/zinc/93/34/32/398933432.db2.gz	DWINMXVBDWSMCX-UHFFFAOYSA-N	0	3	314.454	2.905	20	30		DFEDHN
COC(=O)c1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CC2	ZINC000595411688	398933479	/nfs/dbraw/zinc/93/34/79/398933479.db2.gz	ZYTZHIRAPQPMMJ-UHFFFAOYSA-N	0	3	320.392	2.946	20	30		DFEDHN
CN(Cc1ccccc1N1CCCC1)C[C@H](O)CC1(C#N)CC1	ZINC000599249782	398942696	/nfs/dbraw/zinc/94/26/96/398942696.db2.gz	ZNJRPCGJEHVCAI-QGZVFWFLSA-N	0	3	313.445	2.773	20	30		DFEDHN
CN(Cc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599261057	398944309	/nfs/dbraw/zinc/94/43/09/398944309.db2.gz	LKIANUAGIKJBIR-MRXNPFEDSA-N	0	3	322.836	2.843	20	30		DFEDHN
Cc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)cc1C#N	ZINC000599279634	398947556	/nfs/dbraw/zinc/94/75/56/398947556.db2.gz	RBZUYDLWHWIRBG-UHFFFAOYSA-N	0	3	321.428	2.784	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCC[C@@H]1Sc2ccccc2NC1=O	ZINC000595481937	398947720	/nfs/dbraw/zinc/94/77/20/398947720.db2.gz	LJLYIHJVGHVJCQ-HUBLWGQQSA-N	0	3	301.415	2.771	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000595492865	398949575	/nfs/dbraw/zinc/94/95/75/398949575.db2.gz	OLHAWKOSJKILAN-HUUCEWRRSA-N	0	3	312.335	2.593	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCCC[C@@H]2c2ccco2)CCOCC1	ZINC000599294890	398949723	/nfs/dbraw/zinc/94/97/23/398949723.db2.gz	SOPQCPYRRYVWPZ-JKSUJKDBSA-N	0	3	318.417	2.878	20	30		DFEDHN
C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C#N)c(F)c1	ZINC000271974250	209353353	/nfs/dbraw/zinc/35/33/53/209353353.db2.gz	VHCDYISFDHZQEL-CYBMUJFWSA-N	0	3	317.408	2.997	20	30		DFEDHN
C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C#N)c(F)c1	ZINC000271974254	209352670	/nfs/dbraw/zinc/35/26/70/209352670.db2.gz	VHCDYISFDHZQEL-ZDUSSCGKSA-N	0	3	317.408	2.997	20	30		DFEDHN
Cc1ccc(NCc2cc(C#N)n(C)c2)c(OCCN(C)C)c1	ZINC000191434265	200696800	/nfs/dbraw/zinc/69/68/00/200696800.db2.gz	PCXYDYKPVYXPLA-UHFFFAOYSA-N	0	3	312.417	2.758	20	30		DFEDHN
CN(C)CCN(CCc1ccc(C#N)cc1)Cc1ccccn1	ZINC000595509802	398954085	/nfs/dbraw/zinc/95/40/85/398954085.db2.gz	VVYKLDFWZYOLHQ-UHFFFAOYSA-N	0	3	308.429	2.560	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1	ZINC000599344264	398956913	/nfs/dbraw/zinc/95/69/13/398956913.db2.gz	BGGYDJJWPISCSK-JSGCOSHPSA-N	0	3	324.371	2.687	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(Cc3ccc4c(c3)CCO4)C2)nc1	ZINC000292757857	223232097	/nfs/dbraw/zinc/23/20/97/223232097.db2.gz	JFSDLRKHHASBGP-KRWDZBQOSA-N	0	3	321.380	2.541	20	30		DFEDHN
CO[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)[C@H]1CCOC1	ZINC000595561239	398972054	/nfs/dbraw/zinc/97/20/54/398972054.db2.gz	IFDMZOHSLVOJLW-RDJZCZTQSA-N	0	3	300.402	2.579	20	30		DFEDHN
COC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1	ZINC000599422753	398976254	/nfs/dbraw/zinc/97/62/54/398976254.db2.gz	WTJGPWDCPNIOLM-LSDHHAIUSA-N	0	3	308.809	2.672	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cncs1	ZINC000161688352	398977926	/nfs/dbraw/zinc/97/79/26/398977926.db2.gz	LCBIQOREUBLRJQ-LBPRGKRZSA-N	0	3	313.430	2.729	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000271866097	209281079	/nfs/dbraw/zinc/28/10/79/209281079.db2.gz	WGRWNKDLPISFOD-GUYJKWIASA-N	0	3	315.417	2.534	20	30		DFEDHN
CS[C@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H]1N(C)C	ZINC000613430543	398981649	/nfs/dbraw/zinc/98/16/49/398981649.db2.gz	ASVXDSBEWUPMAI-KGLIPLIRSA-N	0	3	318.490	2.733	20	30		DFEDHN
CC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCCC1	ZINC000163091409	398984169	/nfs/dbraw/zinc/98/41/69/398984169.db2.gz	KOVMZGHDMXLEKO-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@@H](O)CC1(C#N)CC1	ZINC000599450559	398984857	/nfs/dbraw/zinc/98/48/57/398984857.db2.gz	JVNLDTKGEUIYOT-CABCVRRESA-N	0	3	322.449	2.627	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1cccc(CC#N)c1)c1ccccc1	ZINC000078765241	398986390	/nfs/dbraw/zinc/98/63/90/398986390.db2.gz	NKBOMLXTVZKRLH-GOSISDBHSA-N	0	3	307.397	2.785	20	30		DFEDHN
CCC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OCC	ZINC000600174316	398989044	/nfs/dbraw/zinc/98/90/44/398989044.db2.gz	LGNFJPPZSLJQCC-IAGOWNOFSA-N	0	3	313.401	2.562	20	30		DFEDHN
COCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000164956699	398991089	/nfs/dbraw/zinc/99/10/89/398991089.db2.gz	BXNLMHOVTUKFRV-UHFFFAOYSA-N	0	3	321.808	2.651	20	30		DFEDHN
COc1cc(CNCC[C@](C)(O)c2ccccc2)ccc1C#N	ZINC000281560494	216384898	/nfs/dbraw/zinc/38/48/98/216384898.db2.gz	BUFQHMYSFYYSKO-IBGZPJMESA-N	0	3	310.397	2.954	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2Cl)C1	ZINC000595610332	398996973	/nfs/dbraw/zinc/99/69/73/398996973.db2.gz	WOIAPEQLJBKEGM-GDBMZVCRSA-N	0	3	322.836	2.843	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000595610288	398997288	/nfs/dbraw/zinc/99/72/88/398997288.db2.gz	VSPGUVHPZLVJLE-KBPBESRZSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CC[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000595614344	399000874	/nfs/dbraw/zinc/00/08/74/399000874.db2.gz	KTXOHCVYWBMBKQ-CQSZACIVSA-N	0	3	303.362	2.989	20	30		DFEDHN
CC(C)(C)c1ncc2c(n1)CCN(CCCSCC#N)C2	ZINC000599525063	399002421	/nfs/dbraw/zinc/00/24/21/399002421.db2.gz	AYCOSSWCXOMRMC-UHFFFAOYSA-N	0	3	304.463	2.779	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(Cc1ccc(C)cc1)C(C)(C)C	ZINC000599527133	399002650	/nfs/dbraw/zinc/00/26/50/399002650.db2.gz	FUHUIGQUYIDDJN-UHFFFAOYSA-N	0	3	317.433	2.607	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1	ZINC000079008022	399008235	/nfs/dbraw/zinc/00/82/35/399008235.db2.gz	UWWOBRHCMRDCLW-WBVHZDCISA-N	0	3	314.433	2.625	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(Cl)cc2C#N)C1	ZINC000595630667	399010293	/nfs/dbraw/zinc/01/02/93/399010293.db2.gz	AGRSQVAPYSHLMY-VUCTXSBTSA-N	0	3	322.836	2.867	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(C#N)cc2Cl)C1	ZINC000595631504	399011704	/nfs/dbraw/zinc/01/17/04/399011704.db2.gz	JHTDGKDXSZUUIL-LXZKKBNFSA-N	0	3	322.836	2.867	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000595660524	399024947	/nfs/dbraw/zinc/02/49/47/399024947.db2.gz	UGHQJHNLSAMIBQ-SFHVURJKSA-N	0	3	314.429	2.810	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)C#N)N(C)C)cc1	ZINC000079223148	399026800	/nfs/dbraw/zinc/02/68/00/399026800.db2.gz	BLXBEBUQEHXFHT-RHSMWYFYSA-N	0	3	316.449	2.653	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)Nc1cccc(CN)c1)C2	ZINC000599605848	399028422	/nfs/dbraw/zinc/02/84/22/399028422.db2.gz	PRVXDNCAFODLPL-UHFFFAOYSA-N	0	3	320.396	2.802	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000079310837	399034070	/nfs/dbraw/zinc/03/40/70/399034070.db2.gz	DTIVDXBILTUEKN-NVXWUHKLSA-N	0	3	314.433	2.625	20	30		DFEDHN
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1cccc(C#N)c1	ZINC000595703904	399045957	/nfs/dbraw/zinc/04/59/57/399045957.db2.gz	BUSRRCQTTNHNMK-SCLBCKFNSA-N	0	3	305.381	2.815	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000057612025	399052519	/nfs/dbraw/zinc/05/25/19/399052519.db2.gz	KHDJITLFXHBOMR-UHFFFAOYSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@]12CCCC[C@H]1CN2C[C@@H](O)COc1ccccc1C#N	ZINC000599669760	399053686	/nfs/dbraw/zinc/05/36/86/399053686.db2.gz	FEJJFWDTKVFKOL-JZXOWHBKSA-N	0	3	300.402	2.562	20	30		DFEDHN
CCCCN(C)CCNC(=O)c1cccc(SCC#N)c1	ZINC000079545645	399056322	/nfs/dbraw/zinc/05/63/22/399056322.db2.gz	ZTJRQFXJHWDMSY-UHFFFAOYSA-N	0	3	305.447	2.764	20	30		DFEDHN
COc1ccc([C@@H]2CCN(C[C@@H](O)CC3(C#N)CC3)C2)cc1F	ZINC000599674724	399056492	/nfs/dbraw/zinc/05/64/92/399056492.db2.gz	CBVCKKAHSDTNDN-CABCVRRESA-N	0	3	318.392	2.678	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)CC#N)c1ccc(Cl)c(Cl)c1	ZINC000600473133	399059061	/nfs/dbraw/zinc/05/90/61/399059061.db2.gz	RKLLCHZSJNAJHQ-GFCCVEGCSA-N	0	3	300.189	2.626	20	30		DFEDHN
CC[C@H](C)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000595736054	399063408	/nfs/dbraw/zinc/06/34/08/399063408.db2.gz	VUTLUIGLEVSILR-AWEZNQCLSA-N	0	3	309.417	2.869	20	30		DFEDHN
CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000079609429	399065907	/nfs/dbraw/zinc/06/59/07/399065907.db2.gz	PTJOATFIKCTVKU-QZTJIDSGSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CC[C@H](C2CCCCC2)C1)C1CC1	ZINC000595738733	399064041	/nfs/dbraw/zinc/06/40/41/399064041.db2.gz	NLVJKJNOMOGQND-YJBOKZPZSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@H](C2CCCCC2)C1)C1CC1	ZINC000595738720	399064261	/nfs/dbraw/zinc/06/42/61/399064261.db2.gz	NLVJKJNOMOGQND-MAUKXSAKSA-N	0	3	303.450	2.697	20	30		DFEDHN
C/C=C/C[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000599692782	399067516	/nfs/dbraw/zinc/06/75/16/399067516.db2.gz	XNJPDCYHNGWOTR-KZSQQDEKSA-N	0	3	311.429	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1	ZINC000172336205	399074705	/nfs/dbraw/zinc/07/47/05/399074705.db2.gz	KRAJJMMDZGLHKQ-HUUCEWRRSA-N	0	3	311.495	2.610	20	30		DFEDHN
CC(C)(C)OCCNC1(c2cccc(C#N)c2)CCOCC1	ZINC000595764173	399074850	/nfs/dbraw/zinc/07/48/50/399074850.db2.gz	GBFNZXHFOKDVRL-UHFFFAOYSA-N	0	3	302.418	2.969	20	30		DFEDHN
Cn1cc(C[C@H]2CCC[C@H]2NCc2cccc(C#N)c2F)cn1	ZINC000595773972	399080407	/nfs/dbraw/zinc/08/04/07/399080407.db2.gz	YQQORLSKKDMVET-RHSMWYFYSA-N	0	3	312.392	2.932	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000595800035	399090119	/nfs/dbraw/zinc/09/01/19/399090119.db2.gz	PRVRWAICAVWRFO-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
CC#CCCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1	ZINC000284323610	335011170	/nfs/dbraw/zinc/01/11/70/335011170.db2.gz	LXBQRNXZVIEGTN-QGZVFWFLSA-N	0	3	302.418	2.608	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc(F)c(F)c1	ZINC000275104204	212121918	/nfs/dbraw/zinc/12/19/18/212121918.db2.gz	KIJFOFWHSAXBBL-MRXNPFEDSA-N	0	3	323.387	2.929	20	30		DFEDHN
C[C@@H](O)[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000183154890	335012494	/nfs/dbraw/zinc/01/24/94/335012494.db2.gz	BTFLWBXKDCNLEJ-OCCSQVGLSA-N	0	3	313.319	2.639	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)C1	ZINC000595838742	399107910	/nfs/dbraw/zinc/10/79/10/399107910.db2.gz	VIYVNOLMUTYTOC-QGPMSJSTSA-N	0	3	305.466	2.941	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)C1	ZINC000595838741	399108269	/nfs/dbraw/zinc/10/82/69/399108269.db2.gz	VIYVNOLMUTYTOC-KYJSFNMBSA-N	0	3	305.466	2.941	20	30		DFEDHN
CC1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000595858859	399114726	/nfs/dbraw/zinc/11/47/26/399114726.db2.gz	ZEJASLDDBPJTAK-FBAPMCOASA-N	0	3	315.442	2.988	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN(C(C)C)[C@H](CC)c1ccccc1	ZINC000595857723	399114881	/nfs/dbraw/zinc/11/48/81/399114881.db2.gz	RGNBWWDYQZFXFT-MRXNPFEDSA-N	0	3	317.433	2.860	20	30		DFEDHN
Cc1cc(CNC[C@H](O)COc2ccccc2C#N)ccc1F	ZINC000600717835	399123198	/nfs/dbraw/zinc/12/31/98/399123198.db2.gz	OFVJLCWXAOMFBT-INIZCTEOSA-N	0	3	314.360	2.535	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cccc(Br)c2)CC1	ZINC000600716759	399123204	/nfs/dbraw/zinc/12/32/04/399123204.db2.gz	GZUVKHPJQQIVEI-CYBMUJFWSA-N	0	3	309.207	2.593	20	30		DFEDHN
N#CC1(C[C@H](O)CNCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000600717171	399123281	/nfs/dbraw/zinc/12/32/81/399123281.db2.gz	JOTYKLWPMYFDOZ-HNNXBMFYSA-N	0	3	322.330	2.701	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCOc3c(Cl)cccc32)CC1	ZINC000600719816	399123369	/nfs/dbraw/zinc/12/33/69/399123369.db2.gz	KXEYUPUNUVXWIR-BXUZGUMPSA-N	0	3	306.793	2.808	20	30		DFEDHN
CC(C)COc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1	ZINC000600721046	399124386	/nfs/dbraw/zinc/12/43/86/399124386.db2.gz	KGLBTYCNRUSCGN-INIZCTEOSA-N	0	3	302.418	2.866	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2N2CCCCC2)CC1	ZINC000600730420	399127461	/nfs/dbraw/zinc/12/74/61/399127461.db2.gz	GPTFGKGIGZXNDI-QGZVFWFLSA-N	0	3	313.445	2.821	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cc(F)c(Cl)cc2F)CC1	ZINC000600737442	399129622	/nfs/dbraw/zinc/12/96/22/399129622.db2.gz	VHSURSORRYJYRU-SNVBAGLBSA-N	0	3	300.736	2.763	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCCc3c(F)cc(F)cc32)CC1	ZINC000600736938	399129739	/nfs/dbraw/zinc/12/97/39/399129739.db2.gz	BMFRRCLEKRYVOZ-MLGOLLRUSA-N	0	3	306.356	2.987	20	30		DFEDHN
CN(C[C@@H]1CC1(C)C)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000595907619	399130424	/nfs/dbraw/zinc/13/04/24/399130424.db2.gz	CDNHFJKADOMXPP-STQMWFEESA-N	0	3	303.431	2.703	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC(=O)NCCC)c1ccccc1	ZINC000180036805	399132367	/nfs/dbraw/zinc/13/23/67/399132367.db2.gz	VHTMFVFEMFTNFR-HNNXBMFYSA-N	0	3	303.406	2.519	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180262826	399132756	/nfs/dbraw/zinc/13/27/56/399132756.db2.gz	AKBFXKYYNVLHCC-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1	ZINC000180969735	399137663	/nfs/dbraw/zinc/13/76/63/399137663.db2.gz	LMNLLIFUOZIBGZ-AWEZNQCLSA-N	0	3	317.433	2.548	20	30		DFEDHN
COC[C@@H](NCCCSCC#N)c1ccc(F)c(F)c1	ZINC000181447209	399140887	/nfs/dbraw/zinc/14/08/87/399140887.db2.gz	JNJFVTBDIIMIDE-CQSZACIVSA-N	0	3	300.374	2.889	20	30		DFEDHN
CC(C)(NC(=O)[C@@H]1CNCc2ccccc21)c1cccc(C#N)c1	ZINC000595962324	399142390	/nfs/dbraw/zinc/14/23/90/399142390.db2.gz	ZVINRSASOXREKB-GOSISDBHSA-N	0	3	319.408	2.797	20	30		DFEDHN
N#CCn1cc(-c2cccc(OCCN3CCCCC3)c2)cn1	ZINC000600778839	399143653	/nfs/dbraw/zinc/14/36/53/399143653.db2.gz	IMTZCDJTMYIOOO-UHFFFAOYSA-N	0	3	310.401	2.938	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc2c(c1)CCCO2	ZINC000595992101	399144887	/nfs/dbraw/zinc/14/48/87/399144887.db2.gz	OAJBAGDASDCDOJ-BBRMVZONSA-N	0	3	315.417	2.600	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000182667850	399147956	/nfs/dbraw/zinc/14/79/56/399147956.db2.gz	CXLYTUFMHPUOEB-CABCVRRESA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000182683868	399148276	/nfs/dbraw/zinc/14/82/76/399148276.db2.gz	KPCGDWJPCHIUPN-NFAWXSAZSA-N	0	3	320.462	2.590	20	30		DFEDHN
C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)N(C)C	ZINC000264766937	204141229	/nfs/dbraw/zinc/14/12/29/204141229.db2.gz	RGLFULALWVDXON-OAHLLOKOSA-N	0	3	322.412	2.553	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCN(C)C1CC1	ZINC000264833837	204194018	/nfs/dbraw/zinc/19/40/18/204194018.db2.gz	IXNHUJSBKLTMEG-UHFFFAOYSA-N	0	3	314.433	2.572	20	30		DFEDHN
COCC[C@@]1(NCc2ccc(C(C)(C)C#N)cc2)CCOC1	ZINC000618551070	399155681	/nfs/dbraw/zinc/15/56/81/399155681.db2.gz	PKKLMORTTNSKRA-GOSISDBHSA-N	0	3	302.418	2.773	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1	ZINC000264968969	204312688	/nfs/dbraw/zinc/31/26/88/204312688.db2.gz	QKFAGZKPFYVOBR-UHFFFAOYSA-N	0	3	321.424	2.984	20	30		DFEDHN
C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc(C#N)c1	ZINC000080587553	399160359	/nfs/dbraw/zinc/16/03/59/399160359.db2.gz	DBRSLJGJMJCDPR-HOCLYGCPSA-N	0	3	314.433	2.602	20	30		DFEDHN
C#CC[C@H](NC[C@H](O)COc1ccccc1F)c1ccccc1	ZINC000271746170	209176335	/nfs/dbraw/zinc/17/63/35/209176335.db2.gz	WMYQJVZJFAVBSI-WMZOPIPTSA-N	0	3	313.372	2.920	20	30		DFEDHN
CCC(CC)(CCO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000282531657	217067006	/nfs/dbraw/zinc/06/70/06/217067006.db2.gz	VAWACZKAHKUOPU-UHFFFAOYSA-N	0	3	323.824	2.681	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](CC)c1ccc(Br)cc1	ZINC000194010732	399178013	/nfs/dbraw/zinc/17/80/13/399178013.db2.gz	LJUIEBDKFASCOH-ZDUSSCGKSA-N	0	3	311.223	2.792	20	30		DFEDHN
C#CCCCC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1	ZINC000191932241	335017682	/nfs/dbraw/zinc/01/76/82/335017682.db2.gz	WHHFOYSEPGUQFI-UHFFFAOYSA-N	0	3	313.445	2.566	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000288264904	220051027	/nfs/dbraw/zinc/05/10/27/220051027.db2.gz	GRPZLBQWPNGCQU-OCCSQVGLSA-N	0	3	317.820	2.910	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CC[C@@H](N2CCCCC2)C1	ZINC000596122898	399182112	/nfs/dbraw/zinc/18/21/12/399182112.db2.gz	QHPMMHFNWGJLGE-MRXNPFEDSA-N	0	3	307.401	2.566	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2c(C)cccc2OC)CC1	ZINC000194982601	399183221	/nfs/dbraw/zinc/18/32/21/399183221.db2.gz	HCDNEGAHDJXGJK-UHFFFAOYSA-N	0	3	303.406	2.776	20	30		DFEDHN
Cc1cc(NC[C@]2(N(C)C)CCSC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596149157	399191563	/nfs/dbraw/zinc/19/15/63/399191563.db2.gz	JSFBCMHVSFNCBU-OAHLLOKOSA-N	0	3	320.418	2.624	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2C)CC1	ZINC000266147509	205136576	/nfs/dbraw/zinc/13/65/76/205136576.db2.gz	PYHWNKFGVIKSSR-UHFFFAOYSA-N	0	3	302.418	2.774	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596152177	399192108	/nfs/dbraw/zinc/19/21/08/399192108.db2.gz	IPQWJOCBFBHCGC-YOEHRIQHSA-N	0	3	309.417	2.757	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C#N)c1	ZINC000596145575	399189939	/nfs/dbraw/zinc/18/99/39/399189939.db2.gz	QITVZBWCWTYTMR-SJORKVTESA-N	0	3	314.433	2.630	20	30		DFEDHN
C=CCOCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000266311767	205256156	/nfs/dbraw/zinc/25/61/56/205256156.db2.gz	UMPHIWRTWVLDQQ-UHFFFAOYSA-N	0	3	322.424	2.699	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)N(C)C	ZINC000266414467	205328818	/nfs/dbraw/zinc/32/88/18/205328818.db2.gz	SBHULTWNSZMKMN-VIFPVBQESA-N	0	3	314.311	2.649	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)N(CC=C)CC=C	ZINC000285057677	335019367	/nfs/dbraw/zinc/01/93/67/335019367.db2.gz	JFDMNIKHCRASOH-HKUYNNGSSA-N	0	3	310.441	2.800	20	30		DFEDHN
N#Cc1cccc(CN2CCC(C(=O)N3CCCCC3)CC2)c1	ZINC000016339970	182040920	/nfs/dbraw/zinc/04/09/20/182040920.db2.gz	JPHAGEKHCQSEFQ-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2cc(C#N)ccn2)N(C)C)cc1	ZINC000282886542	217301564	/nfs/dbraw/zinc/30/15/64/217301564.db2.gz	FUGBHIWLZLUYCI-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1	ZINC000266460454	205361901	/nfs/dbraw/zinc/36/19/01/205361901.db2.gz	SLYIJZNMZMCTBY-ZBFHGGJFSA-N	0	3	315.417	2.645	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)C2(C#N)CC3(CC3)C2)N(C)C)cc1	ZINC000601020409	399204675	/nfs/dbraw/zinc/20/46/75/399204675.db2.gz	OQMUDFUBRNKPHY-INIZCTEOSA-N	0	3	311.429	2.798	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000266473558	205372356	/nfs/dbraw/zinc/37/23/56/205372356.db2.gz	UUEMFHIJTYRHTB-GXTWGEPZSA-N	0	3	316.405	2.513	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000601024281	399205762	/nfs/dbraw/zinc/20/57/62/399205762.db2.gz	VLTRGXRUJZGTNB-UHFFFAOYSA-N	0	3	313.401	2.649	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000285280558	335022844	/nfs/dbraw/zinc/02/28/44/335022844.db2.gz	ZFEGCPGLGVZLFV-PXNSSMCTSA-N	0	3	320.436	2.916	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCCN(C[C@H]2CCCO2)CC1	ZINC000614397510	399225447	/nfs/dbraw/zinc/22/54/47/399225447.db2.gz	AJANKFLRRPFEHF-LJQANCHMSA-N	0	3	313.445	2.553	20	30		DFEDHN
C[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N1CCCCCC1	ZINC000618788909	399236233	/nfs/dbraw/zinc/23/62/33/399236233.db2.gz	CRWUVYHAVQCTDO-KDOFPFPSSA-N	0	3	311.429	2.926	20	30		DFEDHN
COC[C@H](NC1CCN(CC#N)CC1)c1ccc(Cl)cc1	ZINC000618795487	399237626	/nfs/dbraw/zinc/23/76/26/399237626.db2.gz	XZYBZZIVEVGMNL-INIZCTEOSA-N	0	3	307.825	2.605	20	30		DFEDHN
N#CCCN(C(=O)C1CCN(C2CC2)CC1)c1ccc(F)cc1	ZINC000618831204	399242050	/nfs/dbraw/zinc/24/20/50/399242050.db2.gz	FSMJVWMIPMLMJE-UHFFFAOYSA-N	0	3	315.392	2.947	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000614523097	399243341	/nfs/dbraw/zinc/24/33/41/399243341.db2.gz	FULORGMZHCNRBQ-HZPDHXFCSA-N	0	3	317.820	2.910	20	30		DFEDHN
C(#Cc1ccccc1)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1	ZINC000192138966	335026032	/nfs/dbraw/zinc/02/60/32/335026032.db2.gz	VRPJDYACPOHEQY-KRWDZBQOSA-N	0	3	306.413	2.913	20	30		DFEDHN
C(#Cc1ccccc1)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	ZINC000192138966	335026033	/nfs/dbraw/zinc/02/60/33/335026033.db2.gz	VRPJDYACPOHEQY-KRWDZBQOSA-N	0	3	306.413	2.913	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN(CC1CCCCC1)C1CC1	ZINC000065588986	399246879	/nfs/dbraw/zinc/24/68/79/399246879.db2.gz	APRPQLVOFAANCU-UHFFFAOYSA-N	0	3	316.449	2.687	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1F	ZINC000614583821	399249699	/nfs/dbraw/zinc/24/96/99/399249699.db2.gz	LRCCPKLMYULMAH-IBGZPJMESA-N	0	3	321.355	2.793	20	30		DFEDHN
C=CCC[C@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccco1	ZINC000285994909	335031359	/nfs/dbraw/zinc/03/13/59/335031359.db2.gz	HFGYJJIEAKPSQP-KBPBESRZSA-N	0	3	316.405	2.629	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)c(Cl)c1	ZINC000614622389	399253872	/nfs/dbraw/zinc/25/38/72/399253872.db2.gz	HBHLADKFVMJCNI-AWEZNQCLSA-N	0	3	305.809	2.816	20	30		DFEDHN
N#CCc1ccccc1C(=O)N1CCCN(C2CCCC2)CC1	ZINC000601210720	399255476	/nfs/dbraw/zinc/25/54/76/399255476.db2.gz	SLGGESALZFVJNW-UHFFFAOYSA-N	0	3	311.429	2.843	20	30		DFEDHN
C[C@@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000601294396	399271968	/nfs/dbraw/zinc/27/19/68/399271968.db2.gz	NTXCDQLXYKWANH-GFCCVEGCSA-N	0	3	322.380	2.706	20	30		DFEDHN
COc1ccc(CC[C@@H](C)N2CCN(CCC#N)CC2)cc1	ZINC000601315980	399275775	/nfs/dbraw/zinc/27/57/75/399275775.db2.gz	RHFMNICKOXGULM-MRXNPFEDSA-N	0	3	301.434	2.548	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000622839266	399285560	/nfs/dbraw/zinc/28/55/60/399285560.db2.gz	NJBNFBKATMVFES-CGTJXYLNSA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)[C@@H](c1ccccc1)N(C)C	ZINC000601456616	399291577	/nfs/dbraw/zinc/29/15/77/399291577.db2.gz	QIWFPJIGJWUQFT-HOCLYGCPSA-N	0	3	311.429	2.878	20	30		DFEDHN
CCC[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000608815970	399297243	/nfs/dbraw/zinc/29/72/43/399297243.db2.gz	QCHOGIYQJBNPCO-NVXWUHKLSA-N	0	3	317.408	2.846	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)C2(C#N)CC3(CC3)C2)CCN1Cc1ccccc1	ZINC000601583173	399303554	/nfs/dbraw/zinc/30/35/54/399303554.db2.gz	XMDKGNFGOHDRAR-NVXWUHKLSA-N	0	3	323.440	2.850	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1	ZINC000042321134	183254392	/nfs/dbraw/zinc/25/43/92/183254392.db2.gz	NMPGEXGTIRSTSI-UHFFFAOYSA-N	0	3	322.412	2.619	20	30		DFEDHN
CCN1CCC(N(C)C(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609231893	399309974	/nfs/dbraw/zinc/30/99/74/399309974.db2.gz	HKTJJEPWVZWOCA-UHFFFAOYSA-N	0	3	324.428	2.721	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)c1cc2ccccc2n1CC#N	ZINC000609175437	399308255	/nfs/dbraw/zinc/30/82/55/399308255.db2.gz	DYKVGOMEJZQSIA-UHFFFAOYSA-N	0	3	324.428	2.579	20	30		DFEDHN
N#Cc1ccc(CN2CCN(c3ccncc3)CC2)c(Cl)c1	ZINC000615225066	399314649	/nfs/dbraw/zinc/31/46/49/399314649.db2.gz	SPBPXRNFJZAYMC-UHFFFAOYSA-N	0	3	312.804	2.929	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC(F)(F)C2)cc1	ZINC000619298572	399326223	/nfs/dbraw/zinc/32/62/23/399326223.db2.gz	VWFXBSIJYFIXAQ-UONOGXRCSA-N	0	3	303.312	2.545	20	30		DFEDHN
C=CCCC(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1	ZINC000286683226	335039176	/nfs/dbraw/zinc/03/91/76/335039176.db2.gz	ZNVRRUTWEYZRJG-OAHLLOKOSA-N	0	3	316.449	2.678	20	30		DFEDHN
Cc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)n[nH]1	ZINC000610010149	399338483	/nfs/dbraw/zinc/33/84/83/399338483.db2.gz	XYCWZTIPZDPJMS-UHFFFAOYSA-N	0	3	320.400	2.785	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCOC1	ZINC000274044330	211302297	/nfs/dbraw/zinc/30/22/97/211302297.db2.gz	OSXXKWAPEUETGG-UONOGXRCSA-N	0	3	320.458	2.918	20	30		DFEDHN
N#Cc1ccc(OCCNCc2cccc3c2OCCCO3)cc1	ZINC000610271288	399352081	/nfs/dbraw/zinc/35/20/81/399352081.db2.gz	MREQQGXMQNNERE-UHFFFAOYSA-N	0	3	324.380	2.888	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000610271771	399352190	/nfs/dbraw/zinc/35/21/90/399352190.db2.gz	CKCMQUCONASXAY-BBRMVZONSA-N	0	3	303.406	2.524	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cccc(C#N)c1	ZINC000284793010	218180584	/nfs/dbraw/zinc/18/05/84/218180584.db2.gz	RNLVIWLSSXKVLR-WMZOPIPTSA-N	0	3	310.401	2.955	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1	ZINC000610408270	399365111	/nfs/dbraw/zinc/36/51/11/399365111.db2.gz	QVCDKIFMAVYMMC-JKIFEVAISA-N	0	3	314.433	2.743	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1CC2(C1)CCCCC2	ZINC000601956730	399368449	/nfs/dbraw/zinc/36/84/49/399368449.db2.gz	HLUIWQAAEKRUOG-MRXNPFEDSA-N	0	3	300.402	2.564	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NCCN2CCCCCC2)c1	ZINC000285103698	218292288	/nfs/dbraw/zinc/29/22/88/218292288.db2.gz	JLKHOCJTDHPGAG-UHFFFAOYSA-N	0	3	305.809	2.817	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1F	ZINC000285205043	218332402	/nfs/dbraw/zinc/33/24/02/218332402.db2.gz	DFZFSYAAHVMZJP-MRXNPFEDSA-N	0	3	315.392	2.788	20	30		DFEDHN
CN(C)c1ccncc1CNCc1ccc(C#N)c(Cl)c1	ZINC000619748743	399387136	/nfs/dbraw/zinc/38/71/36/399387136.db2.gz	NBVPXYOVFIAUAV-UHFFFAOYSA-N	0	3	300.793	2.962	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)CN1C1CC1	ZINC000610654044	399388823	/nfs/dbraw/zinc/38/88/23/399388823.db2.gz	DUYLOFUBIRJSJO-DZGCQCFKSA-N	0	3	322.412	2.520	20	30		DFEDHN
COCCCCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285354680	218395451	/nfs/dbraw/zinc/39/54/51/218395451.db2.gz	AYOXHUZIYUIVIX-UHFFFAOYSA-N	0	3	306.381	2.967	20	30		DFEDHN
N#C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000619784562	399391475	/nfs/dbraw/zinc/39/14/75/399391475.db2.gz	AOENGRRWTZHNBB-WMLDXEAASA-N	0	3	319.836	2.559	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1sccc1C#N	ZINC000052050348	183849421	/nfs/dbraw/zinc/84/94/21/183849421.db2.gz	JEYWBHQAHKBTJM-JHJVBQTASA-N	0	3	305.447	2.716	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\C1CCC1	ZINC000492065243	269685290	/nfs/dbraw/zinc/68/52/90/269685290.db2.gz	HJIOINJFKSATGP-KTKRTIGZSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)NCCn2cncn2)cc1	ZINC000268870044	207040078	/nfs/dbraw/zinc/04/00/78/207040078.db2.gz	XKTMYDDQBKCHQS-ZDUSSCGKSA-N	0	3	306.797	2.760	20	30		DFEDHN
CN(CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)CC(C)(C)C	ZINC000602136680	399400302	/nfs/dbraw/zinc/40/03/02/399400302.db2.gz	ACUXEHXUMCCKTQ-IBGZPJMESA-N	0	3	313.445	2.532	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc2cccnc2cc1Br	ZINC000610925809	399418538	/nfs/dbraw/zinc/41/85/38/399418538.db2.gz	AXDXLYGLCZZAOW-SECBINFHSA-N	0	3	318.174	2.773	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H](c2cnn(C)c2)C1	ZINC000610953275	399421411	/nfs/dbraw/zinc/42/14/11/399421411.db2.gz	ARFWYIQTOBOPIK-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
CCN1C[C@H](C)[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)C1	ZINC000610972579	399423729	/nfs/dbraw/zinc/42/37/29/399423729.db2.gz	VQJFSYZSKKCENS-USXIJHARSA-N	0	3	314.433	2.671	20	30		DFEDHN
N#Cc1cc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccn1	ZINC000610991946	399426049	/nfs/dbraw/zinc/42/60/49/399426049.db2.gz	XFQOVGXNBUFOMY-IAGOWNOFSA-N	0	3	304.397	2.521	20	30		DFEDHN
CCN(CC[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000611170488	399441467	/nfs/dbraw/zinc/44/14/67/399441467.db2.gz	QDJIJQNACABLTP-GOEBONIOSA-N	0	3	320.458	2.766	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000602432210	399442153	/nfs/dbraw/zinc/44/21/53/399442153.db2.gz	FEWOMTLGXNJOOO-CQSZACIVSA-N	0	3	302.378	2.657	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](n2ccnc2C)C1	ZINC000611235555	399448735	/nfs/dbraw/zinc/44/87/35/399448735.db2.gz	IZFWHCYEVUAUFI-KRWDZBQOSA-N	0	3	310.401	2.909	20	30		DFEDHN
N#Cc1cccc(CN(CCCO)[C@@H]2CCc3ccccc32)n1	ZINC000602470431	399453007	/nfs/dbraw/zinc/45/30/07/399453007.db2.gz	YPHLYVPZBCKTBA-LJQANCHMSA-N	0	3	307.397	2.825	20	30		DFEDHN
COc1cc(F)ccc1N1CCN(C[C@H](C)CCC#N)CC1	ZINC000602472264	399454541	/nfs/dbraw/zinc/45/45/41/399454541.db2.gz	QMLVKYQZCZOKLK-CQSZACIVSA-N	0	3	305.397	2.896	20	30		DFEDHN
C[C@H](CCC#N)CNc1cccc(CN2CCC(O)CC2)c1	ZINC000602486639	399459723	/nfs/dbraw/zinc/45/97/23/399459723.db2.gz	FSBBFUWCJWTLQD-OAHLLOKOSA-N	0	3	301.434	2.995	20	30		DFEDHN
C[C@H](NCc1cccn(C(F)F)c1=O)c1ccc(C#N)cc1	ZINC000602508457	399463299	/nfs/dbraw/zinc/46/32/99/399463299.db2.gz	CHSRNXQOMMWZFO-NSHDSACASA-N	0	3	303.312	2.966	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(C#N)c1	ZINC000611388637	399468884	/nfs/dbraw/zinc/46/88/84/399468884.db2.gz	QNDMMLSRWFZNSQ-KDOFPFPSSA-N	0	3	321.380	2.520	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000287684570	335046631	/nfs/dbraw/zinc/04/66/31/335046631.db2.gz	IHLDWRPUJQYCKK-XLIONFOSSA-N	0	3	322.452	2.676	20	30		DFEDHN
CCC(C#N)(CC)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000602519860	399467336	/nfs/dbraw/zinc/46/73/36/399467336.db2.gz	BVVDTVKKCSTZGS-HNNXBMFYSA-N	0	3	301.390	2.616	20	30		DFEDHN
N#Cc1ccc(NC(=O)NCCN2CCCCC2)c(Cl)c1	ZINC000269171418	207292767	/nfs/dbraw/zinc/29/27/67/207292767.db2.gz	XOQXMFFCQDMFNH-UHFFFAOYSA-N	0	3	306.797	2.819	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1	ZINC000611387113	399468507	/nfs/dbraw/zinc/46/85/07/399468507.db2.gz	FHNZHXNOBSJJMB-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000611387114	399468607	/nfs/dbraw/zinc/46/86/07/399468607.db2.gz	FHNZHXNOBSJJMB-YJBOKZPZSA-N	0	3	310.397	2.957	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@@H](C)c1cccc(C#N)c1	ZINC000611389330	399469466	/nfs/dbraw/zinc/46/94/66/399469466.db2.gz	SMGUPVNLXNLADM-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
CC(C)(C)N1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394611	399470246	/nfs/dbraw/zinc/47/02/46/399470246.db2.gz	SHMPAOWCSMXGQQ-RDJZCZTQSA-N	0	3	311.429	2.925	20	30		DFEDHN
Cc1ccc(C#N)nc1N1CCCN(Cc2ccccc2)CC1	ZINC000611398791	399470503	/nfs/dbraw/zinc/47/05/03/399470503.db2.gz	CFGXGABKTRWASV-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
Cc1ccc(C#N)nc1NCCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000611400180	399471135	/nfs/dbraw/zinc/47/11/35/399471135.db2.gz	ZUFTYZCAKGOQSJ-HUUCEWRRSA-N	0	3	302.422	2.563	20	30		DFEDHN
COCCN(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1	ZINC000616475732	399472229	/nfs/dbraw/zinc/47/22/29/399472229.db2.gz	BWIVIHNRCAUGIT-HNNXBMFYSA-N	0	3	324.428	2.887	20	30		DFEDHN
N#Cc1ccc(CNC2(CO)CCCCC2)c(OC(F)F)c1	ZINC000611463028	399478720	/nfs/dbraw/zinc/47/87/20/399478720.db2.gz	NQCOXWDSPYMZQM-UHFFFAOYSA-N	0	3	310.344	2.944	20	30		DFEDHN
CC[C@@H](NCCC(C)(C)C#N)c1ccccc1OCC(=O)NC	ZINC000611462958	399478858	/nfs/dbraw/zinc/47/88/58/399478858.db2.gz	RLBMGUNJSLLXSO-OAHLLOKOSA-N	0	3	317.433	2.792	20	30		DFEDHN
COc1ccc([C@@H](OC)[C@H](C)NCc2cccc(C#N)n2)cc1	ZINC000602582670	399482315	/nfs/dbraw/zinc/48/23/15/399482315.db2.gz	MYHHLJQDHPJMTE-UGSOOPFHSA-N	0	3	311.385	2.828	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2c(F)cccc2F)CCC1	ZINC000602576615	399480916	/nfs/dbraw/zinc/48/09/16/399480916.db2.gz	PLMGBLDTLBZGAB-CQSZACIVSA-N	0	3	321.371	2.871	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2nc(C3CCCCC3)cs2)CCNC1	ZINC000602578274	399481106	/nfs/dbraw/zinc/48/11/06/399481106.db2.gz	MNVGMYVGGJXZST-OAHLLOKOSA-N	0	3	304.419	2.633	20	30		DFEDHN
CCOc1ccc(NC(=O)CNC2CCC(C#N)CC2)cc1	ZINC000602585082	399484025	/nfs/dbraw/zinc/48/40/25/399484025.db2.gz	CMLJFIFVRVUCGL-UHFFFAOYSA-N	0	3	301.390	2.696	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cc(F)cc(OC(F)F)c1	ZINC000602611718	399490291	/nfs/dbraw/zinc/49/02/91/399490291.db2.gz	LBAFRHNGXQCMSS-GFCCVEGCSA-N	0	3	315.295	2.777	20	30		DFEDHN
N#Cc1cccnc1OC1CCC(NCc2ccns2)CC1	ZINC000602628052	399495528	/nfs/dbraw/zinc/49/55/28/399495528.db2.gz	GWOMPGZMWUSHFQ-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
N#CCN1CCC(NCc2c(Cl)ccc3cccnc32)CC1	ZINC000611584921	399497152	/nfs/dbraw/zinc/49/71/52/399497152.db2.gz	NZFZFEYZTOKJOD-UHFFFAOYSA-N	0	3	314.820	2.966	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C#N)cc1F	ZINC000611589174	399497831	/nfs/dbraw/zinc/49/78/31/399497831.db2.gz	UKVFEKLNOHXINV-QEORTHHSSA-N	0	3	304.365	2.686	20	30		DFEDHN
N#Cc1cccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)n1	ZINC000602626955	399494775	/nfs/dbraw/zinc/49/47/75/399494775.db2.gz	BWDUXIKJTUNLAT-SMDDNHRTSA-N	0	3	313.323	2.526	20	30		DFEDHN
N#Cc1cccc(CN2CCC(c3ncc4n3CCCC4)CC2)n1	ZINC000602639998	399499978	/nfs/dbraw/zinc/49/99/78/399499978.db2.gz	NXXOAGMBZUXMEF-UHFFFAOYSA-N	0	3	321.428	2.866	20	30		DFEDHN
N#CCN1CCC(N[C@H]2CCCOc3cc(F)ccc32)CC1	ZINC000611621845	399500284	/nfs/dbraw/zinc/50/02/84/399500284.db2.gz	IEEUYHZQGNPLSN-INIZCTEOSA-N	0	3	303.381	2.617	20	30		DFEDHN
CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCc3ccccc3C2)CC1	ZINC000611668367	399503542	/nfs/dbraw/zinc/50/35/42/399503542.db2.gz	FRWOLASYXASJIE-XLIONFOSSA-N	0	3	311.473	2.957	20	30		DFEDHN
COC(=O)c1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1	ZINC000602658615	399505770	/nfs/dbraw/zinc/50/57/70/399505770.db2.gz	FUBDPGSQKBCYQJ-CQSZACIVSA-N	0	3	316.401	2.662	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)Cc1cccc(F)c1C#N	ZINC000602661882	399507220	/nfs/dbraw/zinc/50/72/20/399507220.db2.gz	HTWDYOWGPWTJET-UHFFFAOYSA-N	0	3	301.365	2.854	20	30		DFEDHN
COC(=O)c1ccc(CNC[C@@H](C)CCC#N)nc1C1CC1	ZINC000602664464	399510339	/nfs/dbraw/zinc/51/03/39/399510339.db2.gz	DUWFXNDZGMZKBB-LBPRGKRZSA-N	0	3	301.390	2.775	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc([S@@](C)=O)cc1	ZINC000602672643	399514494	/nfs/dbraw/zinc/51/44/94/399514494.db2.gz	ZDYIIQDBCBXYCM-RCDICMHDSA-N	0	3	320.458	2.613	20	30		DFEDHN
CCN(CCC(=O)Nc1sccc1C#N)Cc1ccccn1	ZINC000119818891	195043029	/nfs/dbraw/zinc/04/30/29/195043029.db2.gz	MXQNNKNQYDBRGS-UHFFFAOYSA-N	0	3	314.414	2.865	20	30		DFEDHN
Cc1cccc2c1OC[C@H](N[C@@H](C)CC1(C#N)CCOCC1)C2	ZINC000602678759	399516852	/nfs/dbraw/zinc/51/68/52/399516852.db2.gz	YQFFUJCJOJFYLE-DOTOQJQBSA-N	0	3	314.429	2.987	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1	ZINC000625322595	399520618	/nfs/dbraw/zinc/52/06/18/399520618.db2.gz	IIDDJRKHJKEVPB-IPMKNSEASA-N	0	3	310.441	2.729	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@H]1COc2cc(F)ccc2C1	ZINC000602710939	399532925	/nfs/dbraw/zinc/53/29/25/399532925.db2.gz	MEDJUDUNRDHQNI-CZUORRHYSA-N	0	3	318.392	2.818	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1	ZINC000287631262	335048969	/nfs/dbraw/zinc/04/89/69/335048969.db2.gz	KJGBDWOSXUQDIG-UKRRQHHQSA-N	0	3	313.319	2.898	20	30		DFEDHN
CCN(C[C@H](O)C[C@@](C)(O)C1CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000602762296	399559575	/nfs/dbraw/zinc/55/95/75/399559575.db2.gz	FMUOEXIZCOLIQN-NIKGAXFTSA-N	0	3	316.445	2.853	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)c3ccsc3)CC2)CC1	ZINC000602762981	399560505	/nfs/dbraw/zinc/56/05/05/399560505.db2.gz	IOUOOHZJRSHSPE-UHFFFAOYSA-N	0	3	303.431	2.636	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1c1ccc(F)cc1	ZINC000272896802	210285360	/nfs/dbraw/zinc/28/53/60/210285360.db2.gz	UJOHZVFJFPCLNG-JKSUJKDBSA-N	0	3	311.422	2.652	20	30		DFEDHN
CC1CCN(C(=O)C2CCN(CC3(CC#N)CC3)CC2)CC1	ZINC000602766543	399562147	/nfs/dbraw/zinc/56/21/47/399562147.db2.gz	PKVKNBWNOJPNSJ-UHFFFAOYSA-N	0	3	303.450	2.651	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](Cc1ccc(C)cc1)C1CC1	ZINC000272900499	210289048	/nfs/dbraw/zinc/28/90/48/210289048.db2.gz	VCLZWQMCQDUKND-KRWDZBQOSA-N	0	3	307.459	2.507	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](C)Cc1ccccc1SC	ZINC000272885384	210275158	/nfs/dbraw/zinc/27/51/58/210275158.db2.gz	RMVKRPYRONIHLL-ZDUSSCGKSA-N	0	3	313.488	2.530	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN(CC3(CC#N)CC3)CC2)c(C)o1	ZINC000602773313	399567164	/nfs/dbraw/zinc/56/71/64/399567164.db2.gz	NLFSDWWBSYZUGU-UHFFFAOYSA-N	0	3	315.417	2.785	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)NC3CCCCC3)CC2)CC1	ZINC000602790674	399574313	/nfs/dbraw/zinc/57/43/13/399574313.db2.gz	IGJJAHCKXUVAON-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
Cc1ccc([C@@H](CN2CCOCC2)NCC2(CC#N)CC2)cc1	ZINC000602802214	399581430	/nfs/dbraw/zinc/58/14/30/399581430.db2.gz	PUIGFWQBQARESJ-GOSISDBHSA-N	0	3	313.445	2.652	20	30		DFEDHN
CN1C(=O)C[C@@H](NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)cc1	ZINC000602820903	399589160	/nfs/dbraw/zinc/58/91/60/399589160.db2.gz	NDQJYLFYWITUFR-GDBMZVCRSA-N	0	3	317.820	2.895	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCS[C@H]3CCCC[C@@H]32)cc1	ZINC000156680860	197133236	/nfs/dbraw/zinc/13/32/36/197133236.db2.gz	TYMGDAVIRUJZID-BBWFWOEESA-N	0	3	302.443	2.952	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156602832	197126730	/nfs/dbraw/zinc/12/67/30/197126730.db2.gz	GZTVGJXVYZWIQU-LZLYRXPVSA-N	0	3	302.418	2.727	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629416901	399597554	/nfs/dbraw/zinc/59/75/54/399597554.db2.gz	VPDRLKRFNJZONO-KRWDZBQOSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3ccncc3)CC2)c(F)c1	ZINC000602844874	399598773	/nfs/dbraw/zinc/59/87/73/399598773.db2.gz	HBTPZKGVDFBDOH-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
C[C@H]1CN(CCSCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602847757	399599989	/nfs/dbraw/zinc/59/99/89/399599989.db2.gz	CUVQIWVLRXNUQQ-HOTGVXAUSA-N	0	3	303.475	2.838	20	30		DFEDHN
COc1ccc([C@@H](C)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602852080	399604003	/nfs/dbraw/zinc/60/40/03/399604003.db2.gz	ZUEXMZUZTUVKFA-HRCADAONSA-N	0	3	301.434	2.717	20	30		DFEDHN
CNC(=O)CCCN(C)CC#Cc1ccc(C(F)(F)F)cc1	ZINC000155134654	197025076	/nfs/dbraw/zinc/02/50/76/197025076.db2.gz	CQICJSAWKQGUBT-UHFFFAOYSA-N	0	3	312.335	2.515	20	30		DFEDHN
C#CCCCCNC(=O)N(CCN(C)C)Cc1cccs1	ZINC000154943556	197007354	/nfs/dbraw/zinc/00/73/54/197007354.db2.gz	MOMOZPQCJBLCNP-UHFFFAOYSA-N	0	3	307.463	2.625	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1sccc1C#N)Cc1ccccc1	ZINC000052034135	542445294	/nfs/dbraw/zinc/44/52/94/542445294.db2.gz	RDRZSDAQYXDPII-OAHLLOKOSA-N	0	3	313.426	2.522	20	30		DFEDHN
CN1CCN(CCOc2ccccc2C#N)C[C@H]1C(C)(C)C	ZINC000602874102	399611001	/nfs/dbraw/zinc/61/10/01/399611001.db2.gz	NGBMFMXYRARVTM-KRWDZBQOSA-N	0	3	301.434	2.599	20	30		DFEDHN
Cn1cc(C2=CCCN(CCCOc3cccc(C#N)c3)C2)cn1	ZINC000602883980	399614446	/nfs/dbraw/zinc/61/44/46/399614446.db2.gz	AEROETWHCQBTRK-UHFFFAOYSA-N	0	3	322.412	2.850	20	30		DFEDHN
N#Cc1cc(CN2CC[C@H](c3ccc4cccnc4n3)C2)ccn1	ZINC000602884002	399614627	/nfs/dbraw/zinc/61/46/27/399614627.db2.gz	AONHBDLOPGWTCG-INIZCTEOSA-N	0	3	315.380	2.886	20	30		DFEDHN
Cn1cc(C2=CCCN(CCCC3(C#N)CCOCC3)C2)cn1	ZINC000602885502	399616114	/nfs/dbraw/zinc/61/61/14/399616114.db2.gz	ZPGWGFHGRHLWAC-UHFFFAOYSA-N	0	3	314.433	2.610	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCc2ccc(COCC)cc2)C1	ZINC000625700866	399616622	/nfs/dbraw/zinc/61/66/22/399616622.db2.gz	MQCNYSRWEYBKNW-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2OC)C1	ZINC000625702491	399617650	/nfs/dbraw/zinc/61/76/50/399617650.db2.gz	GPFMMQGMZPFSOQ-OAHLLOKOSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1	ZINC000625705773	399618276	/nfs/dbraw/zinc/61/82/76/399618276.db2.gz	YYAABZQQBZOMGN-OAHLLOKOSA-N	0	3	323.440	2.951	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NC[C@@](C)(O)C(F)(F)F)cc1	ZINC000271569154	209022552	/nfs/dbraw/zinc/02/25/52/209022552.db2.gz	VLAKKUVRVAMLIW-SMDDNHRTSA-N	0	3	301.308	2.663	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3ccccc3C#N)CC2)n[nH]1	ZINC000271580164	209028943	/nfs/dbraw/zinc/02/89/43/209028943.db2.gz	BTNWRZMUIHPKPP-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc(C2CCN(CCOc3ccccc3C#N)CC2)[nH]n1	ZINC000271580164	209028946	/nfs/dbraw/zinc/02/89/46/209028946.db2.gz	BTNWRZMUIHPKPP-UHFFFAOYSA-N	0	3	310.401	2.848	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2C)CC1	ZINC000077582114	542477679	/nfs/dbraw/zinc/47/76/79/542477679.db2.gz	MFBJOOFGTNLIMU-ZWKOTPCHSA-N	0	3	313.445	2.801	20	30		DFEDHN
CC[C@@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000602925189	399629634	/nfs/dbraw/zinc/62/96/34/399629634.db2.gz	ISSIVFBLIBEAAI-MSOLQXFVSA-N	0	3	317.408	2.849	20	30		DFEDHN
COc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1C#N	ZINC000289807409	221239992	/nfs/dbraw/zinc/23/99/92/221239992.db2.gz	LJZHHAOHLRPYCD-QUCCMNQESA-N	0	3	322.408	2.823	20	30		DFEDHN
C#Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1	ZINC000289038154	335059624	/nfs/dbraw/zinc/05/96/24/335059624.db2.gz	AMCVOVOHWXXFEB-UHFFFAOYSA-N	0	3	324.399	2.933	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](O)[C@@H]2CCCC[C@H]21	ZINC000602997038	399653558	/nfs/dbraw/zinc/65/35/58/399653558.db2.gz	BBYLVXCYZCEIIJ-ZACQAIPSSA-N	0	3	300.402	2.562	20	30		DFEDHN
C[C@@H](CN(C)CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C	ZINC000603053441	399667099	/nfs/dbraw/zinc/66/70/99/399667099.db2.gz	CQFLRBSKMKJKAU-AWEZNQCLSA-N	0	3	301.434	2.788	20	30		DFEDHN
C[C@@H](CN(C)CC(=O)NCc1cccc(C#N)c1)C(C)(C)C	ZINC000603055105	399667451	/nfs/dbraw/zinc/66/74/51/399667451.db2.gz	MKBAUZBIABUOSV-AWEZNQCLSA-N	0	3	301.434	2.788	20	30		DFEDHN
N#CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCCC1	ZINC000602966971	399642592	/nfs/dbraw/zinc/64/25/92/399642592.db2.gz	XWSVXWDAAQVRCI-QGZVFWFLSA-N	0	3	303.381	2.676	20	30		DFEDHN
CCC[C@@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603236586	399719229	/nfs/dbraw/zinc/71/92/29/399719229.db2.gz	RCKNFOFBUJYSBK-GFCCVEGCSA-N	0	3	321.331	2.599	20	30		DFEDHN
CC(C)(C)[C@@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1	ZINC000603242437	399720526	/nfs/dbraw/zinc/72/05/26/399720526.db2.gz	GKYJTXPMEZFHCX-AWEZNQCLSA-N	0	3	303.797	2.897	20	30		DFEDHN
CC(C)(C#N)CCCn1cc(COc2ccccc2CN)nn1	ZINC000603259872	399725215	/nfs/dbraw/zinc/72/52/15/399725215.db2.gz	KZILPQBWVWTDLT-UHFFFAOYSA-N	0	3	313.405	2.646	20	30		DFEDHN
C#Cc1ccc(CNCc2ccccc2OCCN(C)C)cc1	ZINC000289251870	335061130	/nfs/dbraw/zinc/06/11/30/335061130.db2.gz	LXGQOFPDWBXEPL-UHFFFAOYSA-N	0	3	308.425	2.898	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCCCC1)C1CC1	ZINC000052131778	425884083	/nfs/dbraw/zinc/88/40/83/425884083.db2.gz	QLGKMCHLTZACSV-AEFFLSMTSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1ccc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)o1	ZINC000125423079	195747770	/nfs/dbraw/zinc/74/77/70/195747770.db2.gz	GJAZHLIASJORKT-UHFFFAOYSA-N	0	3	322.368	2.898	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1cc(C2CC2)ncn1	ZINC000603310620	399740408	/nfs/dbraw/zinc/74/04/08/399740408.db2.gz	IXQCJAVTVOMDEP-UHFFFAOYSA-N	0	3	321.428	2.794	20	30		DFEDHN
C[C@@H](Nc1ncc(Br)cc1C#N)C1=CCN(C)CC1	ZINC000294823933	533564321	/nfs/dbraw/zinc/56/43/21/533564321.db2.gz	AAUNLNVWSQHYRQ-SNVBAGLBSA-N	0	3	321.222	2.778	20	30		DFEDHN
C/C=C\C[C@@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000603438032	399776504	/nfs/dbraw/zinc/77/65/04/399776504.db2.gz	WBJZNQNVOGKWMA-KVLZDYKBSA-N	0	3	324.428	2.880	20	30		DFEDHN
C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccc(Br)cc1	ZINC000289568002	335064775	/nfs/dbraw/zinc/06/47/75/335064775.db2.gz	SHLJVMQKPCTPTC-WDEREUQCSA-N	0	3	309.207	2.778	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)Cc1ccc(F)cc1Br	ZINC000289738757	335066255	/nfs/dbraw/zinc/06/62/55/335066255.db2.gz	GRRYHEBHWNJPCH-JOYOIKCWSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-]	ZINC000289881872	335066776	/nfs/dbraw/zinc/06/67/76/335066776.db2.gz	SARSNQDKJXYOMU-GXSJLCMTSA-N	0	3	300.196	2.661	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1	ZINC000289888267	335066949	/nfs/dbraw/zinc/06/69/49/335066949.db2.gz	SJTMNMKSRVJTEB-IMJJTQAJSA-N	0	3	323.408	2.971	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)C(=O)Nc1cc(C)cc(CN)c1	ZINC000633017766	399825719	/nfs/dbraw/zinc/82/57/19/399825719.db2.gz	XTABGMAJCZTADX-UHFFFAOYSA-N	0	3	317.433	2.501	20	30		DFEDHN
C#Cc1ccc(CN2CCC(CN3CCCCC3=O)CC2)cc1	ZINC000289987810	335067519	/nfs/dbraw/zinc/06/75/19/335067519.db2.gz	KCBOICPRJZCSJQ-UHFFFAOYSA-N	0	3	310.441	2.892	20	30		DFEDHN
Cc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1C#N	ZINC000374138224	292067103	/nfs/dbraw/zinc/06/71/03/292067103.db2.gz	OLAUUEOAKWXVPD-SFHVURJKSA-N	0	3	319.408	3.000	20	30		DFEDHN
C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000329389934	543103521	/nfs/dbraw/zinc/10/35/21/543103521.db2.gz	SDACCTQZUDMUSR-DZKIICNBSA-N	0	3	321.465	2.607	20	30		DFEDHN
C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000329389936	543103665	/nfs/dbraw/zinc/10/36/65/543103665.db2.gz	SDACCTQZUDMUSR-YCPHGPKFSA-N	0	3	321.465	2.607	20	30		DFEDHN
Cc1nnc([C@H]2CCCN(CCOc3cccc(C#N)c3)C2)o1	ZINC000604553651	399855148	/nfs/dbraw/zinc/85/51/48/399855148.db2.gz	BCRBRRJRUHBTFY-HNNXBMFYSA-N	0	3	312.373	2.508	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCCCC1)C1CC1	ZINC000052131777	425884238	/nfs/dbraw/zinc/88/42/38/425884238.db2.gz	QLGKMCHLTZACSV-SJLPKXTDSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1cccc(OC[C@@H](O)CNCc2ccc(C#N)c(F)c2)c1	ZINC000404176151	543314202	/nfs/dbraw/zinc/31/42/02/543314202.db2.gz	XVVWNNSQRRBGEU-INIZCTEOSA-N	0	3	314.360	2.535	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(OC)c2C)CC1	ZINC000626740633	399888905	/nfs/dbraw/zinc/88/89/05/399888905.db2.gz	FSSNETPYMCXLJI-UHFFFAOYSA-N	0	3	303.406	2.776	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(-c3c[nH]cn3)cc2)CC1	ZINC000630942909	399951170	/nfs/dbraw/zinc/95/11/70/399951170.db2.gz	NJJWWEWLQOGRTB-UHFFFAOYSA-N	0	3	324.428	2.847	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(CC2CC2)c1	ZINC000633894516	399958656	/nfs/dbraw/zinc/95/86/56/399958656.db2.gz	KUOUREDZMHTOSG-AWEZNQCLSA-N	0	3	319.368	2.670	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1c(OC)cc(F)cc1OC	ZINC000631125518	399985550	/nfs/dbraw/zinc/98/55/50/399985550.db2.gz	FVBFHGOXASZFLD-SJCJKPOMSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634273674	400008563	/nfs/dbraw/zinc/00/85/63/400008563.db2.gz	IYCHDYOZMBCVLF-GOSISDBHSA-N	0	3	316.445	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(CC)c1C)C(C)C	ZINC000631274885	400016499	/nfs/dbraw/zinc/01/64/99/400016499.db2.gz	VFHNLYXKTJXSAL-KRWDZBQOSA-N	0	3	318.465	2.640	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN(C)C2(CO)CC2)cc1OC	ZINC000628353101	400024933	/nfs/dbraw/zinc/02/49/33/400024933.db2.gz	HJDIMWZVNSCDNV-UHFFFAOYSA-N	0	3	311.809	2.870	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1nnc(C2CCOCC2)[nH]1	ZINC000631695371	400067355	/nfs/dbraw/zinc/06/73/55/400067355.db2.gz	JGJQEWNHABAPSS-DZGCQCFKSA-N	0	3	304.438	2.923	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCCN(c3ccccc3)CC2)cc1	ZINC000246071641	146117879	/nfs/dbraw/zinc/11/78/79/146117879.db2.gz	SEBVEKZECLDDMA-HXUWFJFHSA-N	0	3	321.424	2.804	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000246679552	146150051	/nfs/dbraw/zinc/15/00/51/146150051.db2.gz	JVPABKCAVSSKJM-HNAYVOBHSA-N	0	3	322.408	2.745	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)Cc2nc(C#N)cs2)CC1	ZINC000356296266	147641114	/nfs/dbraw/zinc/64/11/14/147641114.db2.gz	OEYVXLBFJYMNKL-UHFFFAOYSA-N	0	3	316.430	2.704	20	30		DFEDHN
CCN1C[C@H](C)N(c2cc(C#N)c(Br)cn2)C[C@@H]1C	ZINC000603334158	543471604	/nfs/dbraw/zinc/47/16/04/543471604.db2.gz	QIPYDZJVRDZYBA-QWRGUYRKSA-N	0	3	323.238	2.635	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C#N)nc1)N(C)C	ZINC000357876082	148159002	/nfs/dbraw/zinc/15/90/02/148159002.db2.gz	SJDPMMFYYDGPLC-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](NCc1ccc(C#N)c(F)c1)CC2	ZINC000358314905	148327169	/nfs/dbraw/zinc/32/71/69/148327169.db2.gz	XBQBIUFKTCHMQM-CQSZACIVSA-N	0	3	313.380	2.517	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(CCC)C1	ZINC000660635598	543528695	/nfs/dbraw/zinc/52/86/95/543528695.db2.gz	ZQNDPQQCKVSRLY-MRXNPFEDSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cncc(F)c1	ZINC000361136816	149037724	/nfs/dbraw/zinc/03/77/24/149037724.db2.gz	SJLWXTLYDUERLY-LBPRGKRZSA-N	0	3	312.348	2.772	20	30		DFEDHN
COCCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[C@@H](C)C1	ZINC000361637679	149176143	/nfs/dbraw/zinc/17/61/43/149176143.db2.gz	ANCGPVAOVBLFGK-ZBFHGGJFSA-N	0	3	312.417	2.843	20	30		DFEDHN
COCCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[C@H](C)C1	ZINC000361637678	149176241	/nfs/dbraw/zinc/17/62/41/149176241.db2.gz	ANCGPVAOVBLFGK-HOCLYGCPSA-N	0	3	312.417	2.843	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000362626036	149327362	/nfs/dbraw/zinc/32/73/62/149327362.db2.gz	DZLNYSQBETXMFS-QGZVFWFLSA-N	0	3	313.445	2.682	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC(c3ccccn3)CC2)cc1	ZINC000362756362	149360347	/nfs/dbraw/zinc/36/03/47/149360347.db2.gz	BPZJOIVBXSKEOC-LJQANCHMSA-N	0	3	307.397	2.866	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)s1	ZINC000362904683	149393676	/nfs/dbraw/zinc/39/36/76/149393676.db2.gz	ONPMPUSZOTWVLF-FRRDWIJNSA-N	0	3	305.447	2.716	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2ccncn2)C1)c1ccc(C#N)s1	ZINC000369444389	149784284	/nfs/dbraw/zinc/78/42/84/149784284.db2.gz	UNTOBZLYZFJTJV-OLZOCXBDSA-N	0	3	313.430	2.729	20	30		DFEDHN
Cn1nccc1[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1	ZINC000372010606	150124938	/nfs/dbraw/zinc/12/49/38/150124938.db2.gz	PMCPNSDKXGEQBP-QGZVFWFLSA-N	0	3	324.428	2.940	20	30		DFEDHN
Cc1nnc2n1C[C@H](N[C@@H](C)c1ccc(C#N)cc1Cl)CC2	ZINC000373898710	150274585	/nfs/dbraw/zinc/27/45/85/150274585.db2.gz	QXQSDCCWYIHYNL-GXFFZTMASA-N	0	3	315.808	2.777	20	30		DFEDHN
C[C@@H](NCCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1F	ZINC000358594733	158391940	/nfs/dbraw/zinc/39/19/40/158391940.db2.gz	TVTRNUAADNMXLS-HIFRSBDPSA-N	0	3	306.381	2.791	20	30		DFEDHN
C[C@@H](NCCCOC[C@H]1CCOC1)c1ccc(C#N)cc1F	ZINC000358594734	158392119	/nfs/dbraw/zinc/39/21/19/158392119.db2.gz	TVTRNUAADNMXLS-UKRRQHHQSA-N	0	3	306.381	2.791	20	30		DFEDHN
CCc1nnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c(C#N)c1CC	ZINC000129082909	196017050	/nfs/dbraw/zinc/01/70/50/196017050.db2.gz	ZYVRCBOQHLIUKB-LRDDRELGSA-N	0	3	301.438	2.614	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(CCc3ccccn3)CC2)cc1	ZINC000055172076	425892244	/nfs/dbraw/zinc/89/22/44/425892244.db2.gz	YVWVZROHAIVEHV-UHFFFAOYSA-N	0	3	320.440	2.704	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CCc3cc(F)ccc32)CC1	ZINC000668369018	543798856	/nfs/dbraw/zinc/79/88/56/543798856.db2.gz	MIEMHOWFFHJOHP-KRWDZBQOSA-N	0	3	302.393	2.622	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1OC	ZINC000668705293	543849672	/nfs/dbraw/zinc/84/96/72/543849672.db2.gz	JDPYWTCDCWESGU-HOTGVXAUSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1occc1C)C(C)C	ZINC000668682549	543844863	/nfs/dbraw/zinc/84/48/63/543844863.db2.gz	JOYCHWJARDWIJA-INIZCTEOSA-N	0	3	304.434	2.945	20	30		DFEDHN
C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CCN(C2CC2)C1	ZINC000296724947	226166318	/nfs/dbraw/zinc/16/63/18/226166318.db2.gz	NJHUIQIQEPEUMW-OAHLLOKOSA-N	0	3	308.429	2.727	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](CC(N)=O)CC2)c1	ZINC000671469710	544077200	/nfs/dbraw/zinc/07/72/00/544077200.db2.gz	QAHRSQZQYDXSCU-HNNXBMFYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000290950486	335077734	/nfs/dbraw/zinc/07/77/34/335077734.db2.gz	BCIXRLUSMSMOAF-CTNGQTDRSA-N	0	3	318.420	2.772	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1	ZINC000290899948	222005545	/nfs/dbraw/zinc/00/55/45/222005545.db2.gz	MACVRMXJDVNLDP-QGZVFWFLSA-N	0	3	318.396	2.751	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@@](CO)(c2ccccc2)C1	ZINC000291293682	335080169	/nfs/dbraw/zinc/08/01/69/335080169.db2.gz	PVLTWJUAHYVHRD-OAQYLSRUSA-N	0	3	321.420	2.835	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1	ZINC000194773309	335081766	/nfs/dbraw/zinc/08/17/66/335081766.db2.gz	MQDMOBDVLQQIKO-VGWMRTNUSA-N	0	3	302.422	2.795	20	30		DFEDHN
C#Cc1ccccc1CC(=O)Nc1ccccc1CCN(C)C	ZINC000291414174	335082090	/nfs/dbraw/zinc/08/20/90/335082090.db2.gz	YEUWIPIFSPASPS-UHFFFAOYSA-N	0	3	306.409	2.953	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1COC)C(C)C	ZINC000674613979	544246785	/nfs/dbraw/zinc/24/67/85/544246785.db2.gz	BBMPOWGXFAMOMW-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000674306972	544230561	/nfs/dbraw/zinc/23/05/61/544230561.db2.gz	CWDBDEVNXIIZDE-SJLPKXTDSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)[C@H]2CCCCO2)CC1	ZINC000675187112	544291419	/nfs/dbraw/zinc/29/14/19/544291419.db2.gz	LUXZXLQYPLNLRM-MRXNPFEDSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)CCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1	ZINC000681402927	545638340	/nfs/dbraw/zinc/63/83/40/545638340.db2.gz	FKIDPOXIMNDNEU-QGZVFWFLSA-N	0	3	308.853	2.957	20	30		DFEDHN
C=CCc1cc(CN(CCO)CC(C)(C)C)cc(OC)c1O	ZINC000678240298	544628757	/nfs/dbraw/zinc/62/87/57/544628757.db2.gz	GNQAJEQMWFSBDV-UHFFFAOYSA-N	0	3	307.434	2.970	20	30		DFEDHN
C=C(CC)CN1CC[C@H](N(Cc2ncc(CC)o2)C(C)=O)C1	ZINC000678624854	544704718	/nfs/dbraw/zinc/70/47/18/544704718.db2.gz	RRLYVYIQBMXRNX-HNNXBMFYSA-N	0	3	305.422	2.626	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(C)nn(C)c1Oc1ccccc1	ZINC000678731921	544713388	/nfs/dbraw/zinc/71/33/88/544713388.db2.gz	AIGVABZVMLIPTI-HNNXBMFYSA-N	0	3	315.417	2.795	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@@H](CCC)C1	ZINC000678903655	544747303	/nfs/dbraw/zinc/74/73/03/544747303.db2.gz	BIWORCDTTLBNJQ-OALUTQOASA-N	0	3	302.462	2.910	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)c1ccc(Cl)c(C#N)n1	ZINC000301729934	229857353	/nfs/dbraw/zinc/85/73/53/229857353.db2.gz	CQYDHMMJNULABV-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
Cc1ccc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)nc1C#N	ZINC000302628636	230324522	/nfs/dbraw/zinc/32/45/22/230324522.db2.gz	IRFMGLRHDLLTCB-GASCZTMLSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)NC1CCN(C)CC1	ZINC000056794350	425895756	/nfs/dbraw/zinc/89/57/56/425895756.db2.gz	UVFGPPFWAUCSMQ-UHFFFAOYSA-N	0	3	305.397	2.618	20	30		DFEDHN
C=C(C)COc1cc(CNCCN2CCCC2)ccc1OC	ZINC000057959541	425897315	/nfs/dbraw/zinc/89/73/15/425897315.db2.gz	SPMRMNILVGIHHA-UHFFFAOYSA-N	0	3	304.434	2.836	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1N(C)C	ZINC000439443224	269810556	/nfs/dbraw/zinc/81/05/56/269810556.db2.gz	AITXJPGCGJJFLO-CABCVRRESA-N	0	3	309.866	2.689	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)CNc2ccc(C#N)cc2)c1	ZINC000064724224	425901810	/nfs/dbraw/zinc/90/18/10/425901810.db2.gz	KWQKWNQNHGFFTD-UHFFFAOYSA-N	0	3	308.385	2.670	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1	ZINC000067163356	425909016	/nfs/dbraw/zinc/90/90/16/425909016.db2.gz	KWLZAXTVLQBKRP-BPQIPLTHSA-N	0	3	304.478	2.909	20	30		DFEDHN
COc1cc(OC)cc(OCCNCc2ccc(C#N)cc2)c1	ZINC000124503459	425922926	/nfs/dbraw/zinc/92/29/26/425922926.db2.gz	GXZZKGAZYZCBGO-UHFFFAOYSA-N	0	3	312.369	2.744	20	30		DFEDHN
CC#CCCN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000155682007	425924441	/nfs/dbraw/zinc/92/44/41/425924441.db2.gz	QAMAVNPXZUXRTA-AWEZNQCLSA-N	0	3	315.335	2.790	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H](CO)CC3CCCCC3)n2c1	ZINC000418129468	269970301	/nfs/dbraw/zinc/97/03/01/269970301.db2.gz	SGQUWDNWFOKGEU-INIZCTEOSA-N	0	3	312.417	2.627	20	30		DFEDHN
N#Cc1csc(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1	ZINC000421381859	270000811	/nfs/dbraw/zinc/00/08/11/270000811.db2.gz	XEVNJOJSQGRQQB-QGZVFWFLSA-N	0	3	316.401	2.938	20	30		DFEDHN
CN(C)CCN(C(=O)NCc1ccc(C#N)s1)C1CCCC1	ZINC000422212022	270000847	/nfs/dbraw/zinc/00/08/47/270000847.db2.gz	DHRXCOIBBIMHRE-UHFFFAOYSA-N	0	3	320.462	2.636	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c(Cl)c1	ZINC000533181687	270002741	/nfs/dbraw/zinc/00/27/41/270002741.db2.gz	YTLMLOMFRMUFIE-ZDUSSCGKSA-N	0	3	318.808	2.914	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@H](n3cccn3)C2)c1	ZINC000156025704	425932321	/nfs/dbraw/zinc/93/23/21/425932321.db2.gz	RNMNNWNZOSPCEL-KRWDZBQOSA-N	0	3	310.401	2.861	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCC[C@@H](n3cccn3)C2)c1	ZINC000156025810	425932532	/nfs/dbraw/zinc/93/25/32/425932532.db2.gz	RNMNNWNZOSPCEL-QGZVFWFLSA-N	0	3	310.401	2.861	20	30		DFEDHN
CC#CCCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000156766258	425936131	/nfs/dbraw/zinc/93/61/31/425936131.db2.gz	JHQIRIHXGJWZHU-OAHLLOKOSA-N	0	3	302.418	2.994	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1	ZINC000124723719	425935640	/nfs/dbraw/zinc/93/56/40/425935640.db2.gz	YPRNILNYYADCLZ-BXUZGUMPSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1	ZINC000124723548	425935647	/nfs/dbraw/zinc/93/56/47/425935647.db2.gz	YPRNILNYYADCLZ-RISCZKNCSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1	ZINC000268582373	265585275	/nfs/dbraw/zinc/58/52/75/265585275.db2.gz	TZVKBQAWXBONJY-INIZCTEOSA-N	0	3	300.402	2.729	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCOCC2	ZINC000348519884	266301740	/nfs/dbraw/zinc/30/17/40/266301740.db2.gz	GKDOXGBHRHDUCH-CVEARBPZSA-N	0	3	318.392	2.761	20	30		DFEDHN
CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000344967760	266334521	/nfs/dbraw/zinc/33/45/21/266334521.db2.gz	CXONWRIUGHTPRK-GXTWGEPZSA-N	0	3	316.405	2.561	20	30		DFEDHN
CCSCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280649045	266344115	/nfs/dbraw/zinc/34/41/15/266344115.db2.gz	ZZUJWXSYCOJMRR-CJNGLKHVSA-N	0	3	315.442	2.888	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000348480635	266347828	/nfs/dbraw/zinc/34/78/28/266347828.db2.gz	RWRCFBUYWYIEIF-CABCVRRESA-N	0	3	303.431	2.761	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)oc1C	ZINC000435680669	267007243	/nfs/dbraw/zinc/00/72/43/267007243.db2.gz	HINBHMGNVBCUIY-CQSZACIVSA-N	0	3	303.406	2.844	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000352083567	267019868	/nfs/dbraw/zinc/01/98/68/267019868.db2.gz	ITEWMYLUMUVNRC-IUODEOHRSA-N	0	3	317.339	2.744	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(C#N)ncn1	ZINC000398191386	267055708	/nfs/dbraw/zinc/05/57/08/267055708.db2.gz	ZNLSNIUPJBEXKZ-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCN(CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CC1	ZINC000455396468	267064159	/nfs/dbraw/zinc/06/41/59/267064159.db2.gz	DIYWJVYQPIESAL-UHFFFAOYSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@@H]1C[C@@H](CN2CCN(c3ccc(C#N)cc3F)CC2)CCO1	ZINC000352693278	267077563	/nfs/dbraw/zinc/07/75/63/267077563.db2.gz	RKAHZRYBNQOIDU-ZBFHGGJFSA-N	0	3	317.408	2.634	20	30		DFEDHN
C[C@@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCS1	ZINC000280158641	267116198	/nfs/dbraw/zinc/11/61/98/267116198.db2.gz	RXTAYRRPXIRPQH-RDJZCZTQSA-N	0	3	313.426	2.642	20	30		DFEDHN
CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccccc2C#N)C1	ZINC000495563777	267123609	/nfs/dbraw/zinc/12/36/09/267123609.db2.gz	IBZZXUIJIDOANA-WMLDXEAASA-N	0	3	315.417	2.905	20	30		DFEDHN
CCOC(=O)N1CCC[C@H]([C@H](C)NCc2ccccc2C#N)C1	ZINC000495563778	267124020	/nfs/dbraw/zinc/12/40/20/267124020.db2.gz	IBZZXUIJIDOANA-YOEHRIQHSA-N	0	3	315.417	2.905	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F	ZINC000451596905	267131732	/nfs/dbraw/zinc/13/17/32/267131732.db2.gz	ZVFDXYCWMJSVIX-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N	ZINC000452034307	267146099	/nfs/dbraw/zinc/14/60/99/267146099.db2.gz	JXJAEEWFWHUWGX-HUUCEWRRSA-N	0	3	319.405	2.644	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000452016605	267146391	/nfs/dbraw/zinc/14/63/91/267146391.db2.gz	NWEWHGYMXVWPQO-ZIAGYGMSSA-N	0	3	321.446	2.722	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N	ZINC000452021583	267146715	/nfs/dbraw/zinc/14/67/15/267146715.db2.gz	VGZATBZKUHWQJG-NILFDRSVSA-N	0	3	319.405	2.642	20	30		DFEDHN
C[C@H](CCC#N)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000298796855	267147837	/nfs/dbraw/zinc/14/78/37/267147837.db2.gz	YRZKHVQHKVTIDC-CQSZACIVSA-N	0	3	310.401	2.901	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)[C@@]12CCCO2	ZINC000453386039	267150449	/nfs/dbraw/zinc/15/04/49/267150449.db2.gz	OQWFGDLNHFSIQR-ZACQAIPSSA-N	0	3	304.365	2.514	20	30		DFEDHN
C[C@H](Cc1ccccc1)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000347303675	267167785	/nfs/dbraw/zinc/16/77/85/267167785.db2.gz	HKZYNUXTASEZCP-QGZVFWFLSA-N	0	3	320.440	2.954	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCc1ccc(C#N)s1	ZINC000420914099	267201225	/nfs/dbraw/zinc/20/12/25/267201225.db2.gz	JZWHYSUCJSXLFE-CYBMUJFWSA-N	0	3	320.462	2.683	20	30		DFEDHN
CC[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1CCOC	ZINC000439433816	267202737	/nfs/dbraw/zinc/20/27/37/267202737.db2.gz	BEECEVBZKSHXAO-MRXNPFEDSA-N	0	3	321.852	2.754	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)o1)c1ccco1	ZINC000451677257	267204654	/nfs/dbraw/zinc/20/46/54/267204654.db2.gz	UJTBWAKHTKPVEE-WCQYABFASA-N	0	3	301.346	2.603	20	30		DFEDHN
C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1	ZINC000345169743	267220271	/nfs/dbraw/zinc/22/02/71/267220271.db2.gz	HHZRKCGXEAMQNM-MAUKXSAKSA-N	0	3	313.445	2.885	20	30		DFEDHN
CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC1(C)C	ZINC000419322536	267221265	/nfs/dbraw/zinc/22/12/65/267221265.db2.gz	SJKOBJVNOXSVLA-HOTGVXAUSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1(F)F	ZINC000290908642	267225773	/nfs/dbraw/zinc/22/57/73/267225773.db2.gz	LKYCLERZGOGKFF-WFASDCNBSA-N	0	3	317.339	2.744	20	30		DFEDHN
CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1CCOC	ZINC000439433815	267233912	/nfs/dbraw/zinc/23/39/12/267233912.db2.gz	BEECEVBZKSHXAO-INIZCTEOSA-N	0	3	321.852	2.754	20	30		DFEDHN
CCn1ccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000414213129	267254105	/nfs/dbraw/zinc/25/41/05/267254105.db2.gz	TVVFNIIOUJGHIO-UHFFFAOYSA-N	0	3	323.444	2.529	20	30		DFEDHN
CN(C)c1ccccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428799544	267294324	/nfs/dbraw/zinc/29/43/24/267294324.db2.gz	WOTZRRDCDHYPIK-KRWDZBQOSA-N	0	3	322.412	2.673	20	30		DFEDHN
CN(Cc1cccc(Cl)c1)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000519654569	267319702	/nfs/dbraw/zinc/31/97/02/267319702.db2.gz	UOXNNEMALURXSW-CYBMUJFWSA-N	0	3	315.808	2.582	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1CCCN(C)[C@H]1C	ZINC000343426628	267328152	/nfs/dbraw/zinc/32/81/52/267328152.db2.gz	FNAFWXJOMPOYJH-LRDDRELGSA-N	0	3	312.392	2.871	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000413623704	267341157	/nfs/dbraw/zinc/34/11/57/267341157.db2.gz	HZKNHOGSUUUFPL-OKYOBFRVSA-N	0	3	323.440	2.604	20	30		DFEDHN
COC(=O)C[C@@H](NCc1ccc(C#N)cn1)C1CCCCC1	ZINC000516487887	267367452	/nfs/dbraw/zinc/36/74/52/267367452.db2.gz	CBFXIGGDQZCXDM-MRXNPFEDSA-N	0	3	301.390	2.555	20	30		DFEDHN
Cc1ccc(-c2ccc(CNCCn3cnc(C#N)n3)o2)cc1	ZINC000353042315	267369090	/nfs/dbraw/zinc/36/90/90/267369090.db2.gz	ZZYXAJFEGPPMSD-UHFFFAOYSA-N	0	3	307.357	2.508	20	30		DFEDHN
Cc1ccc(-c2ccc(CNCCn3cnc(C#N)n3)s2)cc1	ZINC000353040396	267369210	/nfs/dbraw/zinc/36/92/10/267369210.db2.gz	UGHGOLNLVCNYAH-UHFFFAOYSA-N	0	3	323.425	2.977	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N[C@H](C)c3cccc(C#N)c3)C2)nn1	ZINC000360063652	267423299	/nfs/dbraw/zinc/42/32/99/267423299.db2.gz	ZWLICVYSLYYXKR-CRAIPNDOSA-N	0	3	321.428	2.976	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000178633322	267663904	/nfs/dbraw/zinc/66/39/04/267663904.db2.gz	BEUMTPGBPZLJKB-UHFFFAOYSA-N	0	3	319.453	2.919	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1scnc1C)C(C)C	ZINC000046745008	425866143	/nfs/dbraw/zinc/86/61/43/425866143.db2.gz	FEIBFYDFIMAVRL-AWEZNQCLSA-N	0	3	307.463	2.880	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1F	ZINC000027208108	425814947	/nfs/dbraw/zinc/81/49/47/425814947.db2.gz	AYEJDACQZJVTFM-INIZCTEOSA-N	0	3	314.360	2.569	20	30		DFEDHN
N#CC(C(=O)c1cncc(Br)c1)c1ccccn1	ZINC000046439284	425864987	/nfs/dbraw/zinc/86/49/87/425864987.db2.gz	ATVXLOXZUMUIEN-LLVKDONJSA-N	0	3	302.131	2.729	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccs1	ZINC000037890354	425849507	/nfs/dbraw/zinc/84/95/07/425849507.db2.gz	MLCJTRWTZAKIHC-TZMCWYRMSA-N	0	3	302.399	2.710	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccn1	ZINC000041482533	425852036	/nfs/dbraw/zinc/85/20/36/425852036.db2.gz	ZBDDEENZDMKAEX-NSHDSACASA-N	0	3	321.258	2.908	20	30		DFEDHN
N#CCSCC(=O)Nc1cccc(CN2CCCCC2)c1	ZINC000041872167	425852711	/nfs/dbraw/zinc/85/27/11/425852711.db2.gz	YDWPFWZVQIFUQH-UHFFFAOYSA-N	0	3	303.431	2.868	20	30		DFEDHN
Cc1cccc2c1CC[C@@H]2NC[C@@H](O)COc1ccccc1C#N	ZINC000530232062	268058879	/nfs/dbraw/zinc/05/88/79/268058879.db2.gz	WMXDYORLTOVKKR-APWZRJJASA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1ccsc1[C@@H](CO)NCCOc1ccccc1C#N	ZINC000494639396	268067401	/nfs/dbraw/zinc/06/74/01/268067401.db2.gz	YKLXIRYBCLRJOV-CQSZACIVSA-N	0	3	302.399	2.630	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1	ZINC000344322085	268075325	/nfs/dbraw/zinc/07/53/25/268075325.db2.gz	XJEVSDVOYYEVMC-IRXDYDNUSA-N	0	3	316.351	2.885	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2F)cc1	ZINC000347997990	268091010	/nfs/dbraw/zinc/09/10/10/268091010.db2.gz	RKGRXVRSUGUJPE-MRXNPFEDSA-N	0	3	307.328	2.696	20	30		DFEDHN
CCC[C@@]1(COC)CCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000194927606	268121185	/nfs/dbraw/zinc/12/11/85/268121185.db2.gz	UHERLIRKKTWYMQ-SFHVURJKSA-N	0	3	315.417	2.778	20	30		DFEDHN
CCC[C@]1(COC)CCCN1CC(=O)Nc1cccc(C#N)c1	ZINC000194942175	268122546	/nfs/dbraw/zinc/12/25/46/268122546.db2.gz	PVEGUQHRVGTIIN-GOSISDBHSA-N	0	3	315.417	2.778	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](C4CC4)C3)C2=O)cc1	ZINC000344001361	268124204	/nfs/dbraw/zinc/12/42/04/268124204.db2.gz	ZASXHBVZIRNZCA-FUHWJXTLSA-N	0	3	309.413	2.786	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000048216314	425873602	/nfs/dbraw/zinc/87/36/02/425873602.db2.gz	CWIVBECROFXHPO-GOSISDBHSA-N	0	3	322.412	2.660	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCc1ccc(-n3cncn3)cc1)CC2	ZINC000353272121	268223357	/nfs/dbraw/zinc/22/33/57/268223357.db2.gz	KSQJKPMIGBVJST-LJQANCHMSA-N	0	3	315.380	2.916	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1F	ZINC000421359482	268233637	/nfs/dbraw/zinc/23/36/37/268233637.db2.gz	WXWBSZRYJCGPSY-HKUYNNGSSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@H]3CCSC3)CC2)c(F)c1	ZINC000494937226	268234667	/nfs/dbraw/zinc/23/46/67/268234667.db2.gz	DRNGNUCAQSERMA-CQSZACIVSA-N	0	3	305.422	2.572	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCC23CCCC3)cc1	ZINC000451460992	268250684	/nfs/dbraw/zinc/25/06/84/268250684.db2.gz	SKLUXDCPUWDOFN-MRXNPFEDSA-N	0	3	318.442	2.644	20	30		DFEDHN
CC(C)N(CCN(C)C)c1nc(C(F)(F)F)ccc1C#N	ZINC000274364541	268257357	/nfs/dbraw/zinc/25/73/57/268257357.db2.gz	OKOWUQDRLIIPDN-UHFFFAOYSA-N	0	3	300.328	2.748	20	30		DFEDHN
N#Cc1cccc(/C=C\C(=O)NC[C@H]2CCCCN2C2CC2)c1	ZINC000493820608	268269168	/nfs/dbraw/zinc/26/91/68/268269168.db2.gz	VUORUYOSIWOGJH-IEODJVTJSA-N	0	3	309.413	2.705	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCN(C2CCC2)CC1	ZINC000329401479	268305567	/nfs/dbraw/zinc/30/55/67/268305567.db2.gz	YDLLMPJNSPEICR-UHFFFAOYSA-N	0	3	318.446	2.768	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@H]3CCCC[C@H]3C(F)(F)F)cnc12	ZINC000515060946	268318585	/nfs/dbraw/zinc/31/85/85/268318585.db2.gz	LKEOXLFMYVWKHJ-OLZOCXBDSA-N	0	3	323.322	2.812	20	30		DFEDHN
COc1cc(CN2CCNC[C@H]2c2ccccc2)ccc1C#N	ZINC000313321925	268339597	/nfs/dbraw/zinc/33/95/97/268339597.db2.gz	KONPCIDVGQFEAY-SFHVURJKSA-N	0	3	307.397	2.713	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2C#N)C1	ZINC000323856517	268350038	/nfs/dbraw/zinc/35/00/38/268350038.db2.gz	ZPUSGBAPAQEMLW-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
CC(=O)Nc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1C	ZINC000049406591	425879301	/nfs/dbraw/zinc/87/93/01/425879301.db2.gz	NJSOVOCCKSHGRQ-HNNXBMFYSA-N	0	3	322.368	2.850	20	30		DFEDHN
COc1cccc([C@@H](CNCc2cccc(C#N)c2)N(C)C)c1	ZINC000071090220	425981811	/nfs/dbraw/zinc/98/18/11/425981811.db2.gz	ROVBVWGHNDSEMG-LJQANCHMSA-N	0	3	309.413	2.959	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NC3CC4(CCC4)C3)C2=O)cc1	ZINC000333620451	268407807	/nfs/dbraw/zinc/40/78/07/268407807.db2.gz	PLROUBOEBYWKRW-KRWDZBQOSA-N	0	3	309.413	2.976	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1	ZINC000125899169	425994901	/nfs/dbraw/zinc/99/49/01/425994901.db2.gz	MLGPJHONCIMIJU-QGZVFWFLSA-N	0	3	320.383	2.877	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000125988050	426000206	/nfs/dbraw/zinc/00/02/06/426000206.db2.gz	MUVOYYSBIIBONE-VXGBXAGGSA-N	0	3	321.371	2.687	20	30		DFEDHN
N#CC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1	ZINC000104679823	425964883	/nfs/dbraw/zinc/96/48/83/425964883.db2.gz	QHJGYZPMQCVEBL-UHFFFAOYSA-N	0	3	324.432	2.746	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnc(SCC)c2)CC1	ZINC000106034810	425970020	/nfs/dbraw/zinc/97/00/20/425970020.db2.gz	QXZLMBZSTBYHOT-UHFFFAOYSA-N	0	3	319.474	2.964	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)c(F)c(F)c2)CC1	ZINC000106034377	425970997	/nfs/dbraw/zinc/97/09/97/425970997.db2.gz	NDRMFFKGVOWOJL-UHFFFAOYSA-N	0	3	312.335	2.874	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)S1	ZINC000070383185	425971077	/nfs/dbraw/zinc/97/10/77/425971077.db2.gz	INODCTPCJMLQOH-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H]1c1cccc2c1OCCO2	ZINC000126521664	426023817	/nfs/dbraw/zinc/02/38/17/426023817.db2.gz	WXLCDDOREDTTNN-GDBMZVCRSA-N	0	3	303.402	2.922	20	30		DFEDHN
C=CCc1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc(OC)c1O	ZINC000126625167	426028296	/nfs/dbraw/zinc/02/82/96/426028296.db2.gz	MZNKTWBBNHDPAV-XYPWUTKMSA-N	0	3	303.402	2.617	20	30		DFEDHN
Cc1ccc(C#N)c(NCCCCN2C[C@H](C)O[C@@H](C)C2)n1	ZINC000161789610	426039264	/nfs/dbraw/zinc/03/92/64/426039264.db2.gz	UNXRVPNPTCDZCW-GJZGRUSLSA-N	0	3	302.422	2.563	20	30		DFEDHN
C=CCN(CC=C)C(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000074165998	426043153	/nfs/dbraw/zinc/04/31/53/426043153.db2.gz	CNULMKGPYQYUSR-UHFFFAOYSA-N	0	3	313.445	2.643	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCC[S@](=O)C(C)(C)C)cc1	ZINC000127330049	426061522	/nfs/dbraw/zinc/06/15/22/426061522.db2.gz	IHBKXNOAKBYCBP-LHSJRXKWSA-N	0	3	307.459	2.896	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2sc(C)nc2CC(C)C)CC1	ZINC000127407132	426065395	/nfs/dbraw/zinc/06/53/95/426065395.db2.gz	UODTYMYRQXRINF-UHFFFAOYSA-N	0	3	319.474	2.934	20	30		DFEDHN
CC[C@@H](C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163101829	426089682	/nfs/dbraw/zinc/08/96/82/426089682.db2.gz	PMCYHBIHFAMCBE-ZIAGYGMSSA-N	0	3	308.447	2.746	20	30		DFEDHN
CC[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163147647	426091053	/nfs/dbraw/zinc/09/10/53/426091053.db2.gz	CZWMRKRCYIRREW-WBVHZDCISA-N	0	3	320.458	2.890	20	30		DFEDHN
CC[C@H](SC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000127994574	426096435	/nfs/dbraw/zinc/09/64/35/426096435.db2.gz	BYUWXYFUWKFNAL-INIZCTEOSA-N	0	3	319.474	2.590	20	30		DFEDHN
C=CCCCN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC	ZINC000076733958	426116735	/nfs/dbraw/zinc/11/67/35/426116735.db2.gz	XVWPFNSVISLYEV-AWEZNQCLSA-N	0	3	320.433	2.779	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000128586360	426123453	/nfs/dbraw/zinc/12/34/53/426123453.db2.gz	DBEWHTGWNLLJAC-JKSUJKDBSA-N	0	3	301.434	2.867	20	30		DFEDHN
CC(C)C[C@H]1CCCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000077364389	426130479	/nfs/dbraw/zinc/13/04/79/426130479.db2.gz	MJOOCSDCWUHBRW-QGZVFWFLSA-N	0	3	318.465	2.933	20	30		DFEDHN
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC1(C#N)CCCCC1	ZINC000075837576	426085928	/nfs/dbraw/zinc/08/59/28/426085928.db2.gz	ZKQQGQFRQWIALP-PMPSAXMXSA-N	0	3	303.450	2.982	20	30		DFEDHN
COc1ccc(CN2CCC[C@H]2Cn2ccnc2C)cc1C#N	ZINC000135127224	426206658	/nfs/dbraw/zinc/20/66/58/426206658.db2.gz	AUTOXNHPFMYZTM-KRWDZBQOSA-N	0	3	310.401	2.736	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc(C(C)=O)c2)CC1	ZINC000171680130	426204601	/nfs/dbraw/zinc/20/46/01/426204601.db2.gz	WHFBSYBRJOHQEC-UHFFFAOYSA-N	0	3	301.390	2.661	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccs1	ZINC000130020766	426145007	/nfs/dbraw/zinc/14/50/07/426145007.db2.gz	LZWCNLTYXBOMEC-OCCSQVGLSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCO1	ZINC000170768606	426149435	/nfs/dbraw/zinc/14/94/35/426149435.db2.gz	DXLYPXWNLKUTEM-GFCCVEGCSA-N	0	3	321.808	2.651	20	30		DFEDHN
C=CCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1	ZINC000079884202	426205206	/nfs/dbraw/zinc/20/52/06/426205206.db2.gz	RAQGSOZWTXMNNJ-UHFFFAOYSA-N	0	3	324.222	2.681	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000115006721	426152068	/nfs/dbraw/zinc/15/20/68/426152068.db2.gz	PDAHSKLWKPTXII-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CCN2CCC[C@@H]2C1	ZINC000130447706	426159815	/nfs/dbraw/zinc/15/98/15/426159815.db2.gz	NIABVJNCAJTHMC-CYBMUJFWSA-N	0	3	306.207	2.605	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCN(CC3CC3)CC2)c1	ZINC000130653324	426162322	/nfs/dbraw/zinc/16/23/22/426162322.db2.gz	NXWCGYGYNXDKFK-UHFFFAOYSA-N	0	3	313.445	2.897	20	30		DFEDHN
CN(CCOc1ccccc1C#N)CCC(=O)OC(C)(C)C	ZINC000170988331	426163578	/nfs/dbraw/zinc/16/35/78/426163578.db2.gz	WWDHFLKKQUQVOO-UHFFFAOYSA-N	0	3	304.390	2.601	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1	ZINC000171084552	426168885	/nfs/dbraw/zinc/16/88/85/426168885.db2.gz	MOKLHTQXRBSCCE-OAHLLOKOSA-N	0	3	303.406	2.809	20	30		DFEDHN
N#CCCn1cc(CNC[C@@H]2CCCO2)c(-c2ccccc2)n1	ZINC000078409018	426169339	/nfs/dbraw/zinc/16/93/39/426169339.db2.gz	JZVBFLMLIGHIKS-KRWDZBQOSA-N	0	3	310.401	2.732	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCc2ccccc2C)CC1	ZINC000171548275	426193976	/nfs/dbraw/zinc/19/39/76/426193976.db2.gz	UGPBNZVKCIHPCO-UHFFFAOYSA-N	0	3	315.461	2.877	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCn3cccc3[C@H]2C)CC1	ZINC000171607459	426198069	/nfs/dbraw/zinc/19/80/69/426198069.db2.gz	SERTXKIZSOPSQV-OAHLLOKOSA-N	0	3	316.449	2.615	20	30		DFEDHN
C=CCCCN(C)CCCOc1ccc(S(C)(=O)=O)cc1	ZINC000117874739	426225142	/nfs/dbraw/zinc/22/51/42/426225142.db2.gz	OYIPVQMGIDWKSC-UHFFFAOYSA-N	0	3	311.447	2.757	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000118398274	426236111	/nfs/dbraw/zinc/23/61/11/426236111.db2.gz	HFLREUOSFMTMAO-INIZCTEOSA-N	0	3	323.444	2.561	20	30		DFEDHN
COC[C@@H](N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000136633150	426243752	/nfs/dbraw/zinc/24/37/52/426243752.db2.gz	HJCHVOLAVULUND-MEBBXXQBSA-N	0	3	321.808	2.553	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N(C)CCN2CCCC2)c1	ZINC000118811334	426247095	/nfs/dbraw/zinc/24/70/95/426247095.db2.gz	ZXMCNTAYTSINSC-UHFFFAOYSA-N	0	3	303.406	2.811	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCC(N2CC=CC2)CC1	ZINC000136850538	426247219	/nfs/dbraw/zinc/24/72/19/426247219.db2.gz	AEAXYJHOYANOBH-UHFFFAOYSA-N	0	3	310.401	2.735	20	30		DFEDHN
N#Cc1ccc(CNCCc2nccn2Cc2ccccc2)o1	ZINC000174261958	426252794	/nfs/dbraw/zinc/25/27/94/426252794.db2.gz	OFMWYMGHEDCLGX-UHFFFAOYSA-N	0	3	306.369	2.728	20	30		DFEDHN
N#Cc1ccc(OCCNCc2cc3ccccc3[nH]c2=O)cc1	ZINC000174561607	426259490	/nfs/dbraw/zinc/25/94/90/426259490.db2.gz	AFQSUSRCGMLVGR-UHFFFAOYSA-N	0	3	319.364	2.981	20	30		DFEDHN
C[C@H](CNCc1cnc2ccc(C#N)cn12)Oc1cccc(F)c1	ZINC000174581068	426260160	/nfs/dbraw/zinc/26/01/60/426260160.db2.gz	POTIWXANOUUQRV-CYBMUJFWSA-N	0	3	324.359	2.902	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2c(F)cccc2F)CC1	ZINC000087318161	426269740	/nfs/dbraw/zinc/26/97/40/426269740.db2.gz	QCTGOWFGDNBUSE-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c(C)[nH]c3ccccc32)CC1	ZINC000171720980	426206964	/nfs/dbraw/zinc/20/69/64/426206964.db2.gz	DZEXATBICHFMIU-UHFFFAOYSA-N	0	3	311.429	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](C)c2ccccc2OC)CC1	ZINC000171715043	426207020	/nfs/dbraw/zinc/20/70/20/426207020.db2.gz	XRFLTGBXUIPEKB-HNNXBMFYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc(OCC)cc2)CC1	ZINC000171721977	426207083	/nfs/dbraw/zinc/20/70/83/426207083.db2.gz	GQBIYAKNAMBYPH-JXMROGBWSA-N	0	3	314.429	2.865	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3ccc(F)cc32)CC1	ZINC000171741120	426209213	/nfs/dbraw/zinc/20/92/13/426209213.db2.gz	MUVFRZQRDUZJCF-UHFFFAOYSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCc2cccc(F)c2)CC1	ZINC000171760854	426210377	/nfs/dbraw/zinc/21/03/77/426210377.db2.gz	CMWHJZLQRNUZLD-UHFFFAOYSA-N	0	3	319.424	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)CC1	ZINC000171780879	426211475	/nfs/dbraw/zinc/21/14/75/426211475.db2.gz	GCBRCYNXOYHOJC-AWEZNQCLSA-N	0	3	317.433	2.745	20	30		DFEDHN
COC[C@](C)(CC(=O)OC)NCc1ccccc1C(C)(C)C#N	ZINC000135275776	426212059	/nfs/dbraw/zinc/21/20/59/426212059.db2.gz	JYSCFEILKITYKU-SFHVURJKSA-N	0	3	318.417	2.546	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000090004428	426323088	/nfs/dbraw/zinc/32/30/88/426323088.db2.gz	JZVKOGRUUMDXEI-QGZVFWFLSA-N	0	3	311.404	2.865	20	30		DFEDHN
COc1ccc(CNCCOc2ncccc2Cl)cc1C#N	ZINC000152080624	426325530	/nfs/dbraw/zinc/32/55/30/426325530.db2.gz	NPOVUZZNRLHINS-UHFFFAOYSA-N	0	3	317.776	2.784	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)c1cc(C#N)c[nH]1	ZINC000175770016	426327722	/nfs/dbraw/zinc/32/77/22/426327722.db2.gz	UUUMZXBTQRFMEB-UHFFFAOYSA-N	0	3	324.428	2.523	20	30		DFEDHN
CC[C@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000121359358	426336498	/nfs/dbraw/zinc/33/64/98/426336498.db2.gz	DXCQENKMNAHGRB-IEBWSBKVSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(c2nncn2C)CC1	ZINC000091795119	426344453	/nfs/dbraw/zinc/34/44/53/426344453.db2.gz	CYYLNPLEYRVRIJ-UHFFFAOYSA-N	0	3	312.417	2.760	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000176005002	426345157	/nfs/dbraw/zinc/34/51/57/426345157.db2.gz	FARKBFHERIMFGU-UKRRQHHQSA-N	0	3	317.458	2.857	20	30		DFEDHN
CC1CCC(CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1	ZINC000091936917	426345215	/nfs/dbraw/zinc/34/52/15/426345215.db2.gz	HVBFGTWEDMDSJI-PCKAHOCUSA-N	0	3	313.449	2.685	20	30		DFEDHN
CCN(Cc1ccccc1N1CCN(CC)CC1)C[C@@H](C)C#N	ZINC000091983734	426347140	/nfs/dbraw/zinc/34/71/40/426347140.db2.gz	CMQCYBXSHIVVFD-KRWDZBQOSA-N	0	3	314.477	2.810	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)CCN1C	ZINC000176088673	426350173	/nfs/dbraw/zinc/35/01/73/426350173.db2.gz	HMNRKIRCMRSPMY-FZMZJTMJSA-N	0	3	304.369	2.644	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(SCC#N)c1	ZINC000176075316	426350534	/nfs/dbraw/zinc/35/05/34/426350534.db2.gz	APRDPDLBUHPVDQ-OAHLLOKOSA-N	0	3	317.458	2.859	20	30		DFEDHN
N#Cc1cnc(NC[C@@H]2CCCN(Cc3cccs3)C2)cn1	ZINC000123000190	426408295	/nfs/dbraw/zinc/40/82/95/426408295.db2.gz	WESZOZJUHRZLHF-ZDUSSCGKSA-N	0	3	313.430	2.734	20	30		DFEDHN
CN(C)[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000123166226	426417637	/nfs/dbraw/zinc/41/76/37/426417637.db2.gz	IJDAEXYMRHGXDM-GOSISDBHSA-N	0	3	319.412	2.598	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCOC1	ZINC000154597798	426447366	/nfs/dbraw/zinc/44/73/66/426447366.db2.gz	LQSNVODLGXQIEX-CQSZACIVSA-N	0	3	313.319	2.905	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3ccncc3)CC2)s1	ZINC000176951010	426427367	/nfs/dbraw/zinc/42/73/67/426427367.db2.gz	DSSGDEGMAOEMRI-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
C=C(C)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000154330286	426436427	/nfs/dbraw/zinc/43/64/27/426436427.db2.gz	IUHWNDURGNYJAP-UHFFFAOYSA-N	0	3	301.434	2.523	20	30		DFEDHN
CN(C)CCN(C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000177078385	426441584	/nfs/dbraw/zinc/44/15/84/426441584.db2.gz	JQIDJTPTERPXQA-UHFFFAOYSA-N	0	3	314.311	2.602	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@H](C3OCCO3)C2)cc1	ZINC000177101167	426443958	/nfs/dbraw/zinc/44/39/58/426443958.db2.gz	QMRUKRLNGYLEHO-HNNXBMFYSA-N	0	3	305.805	2.776	20	30		DFEDHN
C=CCN(C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1	ZINC000154771380	426454618	/nfs/dbraw/zinc/45/46/18/426454618.db2.gz	HGVSMSOLDZDWBW-UHFFFAOYSA-N	0	3	324.852	2.669	20	30		DFEDHN
C=C(C)CN(CC)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000155143245	426463788	/nfs/dbraw/zinc/46/37/88/426463788.db2.gz	CRIWKIJKDOQEPY-QGZVFWFLSA-N	0	3	315.461	2.622	20	30		DFEDHN
COc1cccc2c1OC[C@H](NCc1cc(C#N)cs1)C2	ZINC000177695794	426507256	/nfs/dbraw/zinc/50/72/56/426507256.db2.gz	CHKMUYHRQOVUSX-CYBMUJFWSA-N	0	3	300.383	2.722	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000186340288	426509229	/nfs/dbraw/zinc/50/92/29/426509229.db2.gz	WOVCXXIWISLGKE-KBPBESRZSA-N	0	3	321.446	2.742	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000186363819	426512664	/nfs/dbraw/zinc/51/26/64/426512664.db2.gz	KWUQEFIYMMIZGJ-SJORKVTESA-N	0	3	315.417	2.680	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195305568	426513840	/nfs/dbraw/zinc/51/38/40/426513840.db2.gz	PGUARRXSEHGDSN-OWCLPIDISA-N	0	3	301.434	2.660	20	30		DFEDHN
N#Cc1ccc(CN(C(=O)C2CCN(C3CC3)CC2)C2CC2)cc1	ZINC000195335190	426518101	/nfs/dbraw/zinc/51/81/01/426518101.db2.gz	SFJMBBRIUINPFX-UHFFFAOYSA-N	0	3	323.440	2.924	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C)s1)C(C)C	ZINC000195456131	426525449	/nfs/dbraw/zinc/52/54/49/426525449.db2.gz	ONMWSAAHOXYMIO-CQSZACIVSA-N	0	3	307.463	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)C(F)(F)c2ccc(C)cc2)CC1	ZINC000272477783	426536536	/nfs/dbraw/zinc/53/65/36/426536536.db2.gz	FNVJRYIEOHOMIK-UHFFFAOYSA-N	0	3	308.372	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(OC)c2)CC1	ZINC000264405607	426547837	/nfs/dbraw/zinc/54/78/37/426547837.db2.gz	NIGSBRMGUVANMN-AWEZNQCLSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)CCc2ccco2)CC1	ZINC000264422730	426551823	/nfs/dbraw/zinc/55/18/23/426551823.db2.gz	RLRBTPHBUNKHNK-AWEZNQCLSA-N	0	3	305.422	2.550	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2cccnc2)CC1	ZINC000264431360	426552517	/nfs/dbraw/zinc/55/25/17/426552517.db2.gz	ZVAQOYOZXDJFAV-OAHLLOKOSA-N	0	3	316.449	2.825	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)c2ccccc2)CC1	ZINC000264433976	426553154	/nfs/dbraw/zinc/55/31/54/426553154.db2.gz	VFQBXBRMSSKFPV-HNNXBMFYSA-N	0	3	301.434	2.740	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@H](C)c2ccc(F)cc2)CC1	ZINC000264442879	426553952	/nfs/dbraw/zinc/55/39/52/426553952.db2.gz	XCLLWUHISFTXTQ-AWEZNQCLSA-N	0	3	319.424	2.879	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000186193843	426492375	/nfs/dbraw/zinc/49/23/75/426492375.db2.gz	ONEICNKMHDBXCP-HOTGVXAUSA-N	0	3	313.445	2.804	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(COC(C)C)cc2)CC1	ZINC000195048655	426500089	/nfs/dbraw/zinc/50/00/89/426500089.db2.gz	PSJAAZMHHPOSGO-UHFFFAOYSA-N	0	3	314.429	2.895	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1	ZINC000177649435	426500808	/nfs/dbraw/zinc/50/08/08/426500808.db2.gz	YEFJJLABOPGKCM-CQSZACIVSA-N	0	3	316.367	2.569	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000264507718	426565688	/nfs/dbraw/zinc/56/56/88/426565688.db2.gz	SJWLCYVMPLYGFX-QGZVFWFLSA-N	0	3	312.417	2.845	20	30		DFEDHN
Cc1noc([C@@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)n1	ZINC000264520821	426566776	/nfs/dbraw/zinc/56/67/76/426566776.db2.gz	AGVDGHFCYKEOPN-OAHLLOKOSA-N	0	3	312.373	2.660	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1	ZINC000264512327	426567203	/nfs/dbraw/zinc/56/72/03/426567203.db2.gz	UAKYMHCEVLXHTI-MRXNPFEDSA-N	0	3	312.417	2.959	20	30		DFEDHN
Cc1ncsc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280453377	426579169	/nfs/dbraw/zinc/57/91/69/426579169.db2.gz	NUCSCNWFOVHGNL-OAHLLOKOSA-N	0	3	324.409	2.664	20	30		DFEDHN
CN(C)c1ccccc1CN(C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000289092841	426581852	/nfs/dbraw/zinc/58/18/52/426581852.db2.gz	UQHFRNROACMXJJ-LJQANCHMSA-N	0	3	309.413	2.790	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)O1	ZINC000186843744	426599392	/nfs/dbraw/zinc/59/93/92/426599392.db2.gz	CRTMDODFRMMFGA-KRWDZBQOSA-N	0	3	302.418	2.964	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(CC(C)C)C1CCN(C)CC1	ZINC000280570233	426605137	/nfs/dbraw/zinc/60/51/37/426605137.db2.gz	GQYPSGQIXVRSAS-UHFFFAOYSA-N	0	3	303.406	2.652	20	30		DFEDHN
C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)NC(C)(C)CC	ZINC000273165243	426605261	/nfs/dbraw/zinc/60/52/61/426605261.db2.gz	CVQMMZVTHHCVGT-GFCCVEGCSA-N	0	3	306.381	2.943	20	30		DFEDHN
C#CCOc1cc(F)ccc1NC(=O)[C@H](C)NC(C)(C)CC	ZINC000273176658	426608687	/nfs/dbraw/zinc/60/86/87/426608687.db2.gz	FWURWBPYHCBRNX-LBPRGKRZSA-N	0	3	306.381	2.943	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCCN(C)C1	ZINC000265260054	426609346	/nfs/dbraw/zinc/60/93/46/426609346.db2.gz	DNQFOJJHXAFGJA-HNNXBMFYSA-N	0	3	302.418	2.665	20	30		DFEDHN
CC[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1CCOC	ZINC000186971277	426615379	/nfs/dbraw/zinc/61/53/79/426615379.db2.gz	JYIBDZHALQHPQM-QGZVFWFLSA-N	0	3	321.852	2.754	20	30		DFEDHN
C=C(C)CN1CCC(OCCCNC(=O)OC(C)(C)C)CC1	ZINC000178066184	426564816	/nfs/dbraw/zinc/56/48/16/426564816.db2.gz	HNSQTNLVCOGJRA-UHFFFAOYSA-N	0	3	312.454	2.958	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(OC)c2)CC1	ZINC000187118946	426631319	/nfs/dbraw/zinc/63/13/19/426631319.db2.gz	UWWRXQDSGQVTTE-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H](CO)C(C)(C)C	ZINC000265455427	426640127	/nfs/dbraw/zinc/64/01/27/426640127.db2.gz	VKDZLAIKBUDIEW-HNNXBMFYSA-N	0	3	322.474	2.900	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)Cc2cc(C#N)n(C)c2)c1	ZINC000289397967	426647623	/nfs/dbraw/zinc/64/76/23/426647623.db2.gz	GBUHCLDJQNZGNM-UHFFFAOYSA-N	0	3	310.445	2.769	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)C#N	ZINC000187324181	426649363	/nfs/dbraw/zinc/64/93/63/426649363.db2.gz	PNIBRWPDOLGSAP-MRXNPFEDSA-N	0	3	301.434	2.809	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412169237	269613344	/nfs/dbraw/zinc/61/33/44/269613344.db2.gz	IJNWZLTUDKSFHU-OKZBNKHCSA-N	0	3	313.445	2.754	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000280774611	426653485	/nfs/dbraw/zinc/65/34/85/426653485.db2.gz	AQIJLKNBPQVDLO-UGSOOPFHSA-N	0	3	323.396	2.710	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000265563336	426655081	/nfs/dbraw/zinc/65/50/81/426655081.db2.gz	MOOIOUWQCWFDNR-LBPRGKRZSA-N	0	3	313.854	2.937	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1	ZINC000178587048	426660601	/nfs/dbraw/zinc/66/06/01/426660601.db2.gz	RGVYUWAEUMNGKD-DOMZBBRYSA-N	0	3	300.406	2.813	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000289678896	426672628	/nfs/dbraw/zinc/67/26/28/426672628.db2.gz	GTWGCFICUTWCRM-VDZJLULYSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)NC(=O)c1cccc(F)c1C#N	ZINC000187641264	426680066	/nfs/dbraw/zinc/68/00/66/426680066.db2.gz	DZALSJRERPLJEY-ZDUSSCGKSA-N	0	3	303.381	2.692	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434843885	269654823	/nfs/dbraw/zinc/65/48/23/269654823.db2.gz	RIIARTPKRMDQRN-QGZVFWFLSA-N	0	3	311.429	2.533	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1	ZINC000290054428	426681377	/nfs/dbraw/zinc/68/13/77/426681377.db2.gz	DPLKCDDEVGNLOM-SFHVURJKSA-N	0	3	317.408	2.729	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(c2ccnn2CCO)CC1	ZINC000187670918	426682464	/nfs/dbraw/zinc/68/24/64/426682464.db2.gz	NELHQJOTAAMXGX-OAHLLOKOSA-N	0	3	324.428	2.688	20	30		DFEDHN
C=C(C)[C@H](NCCCN1CCOCC1)c1ccc(F)c(F)c1	ZINC000187759921	426691011	/nfs/dbraw/zinc/69/10/11/426691011.db2.gz	TXZMHHFDYVEPLH-KRWDZBQOSA-N	0	3	310.388	2.894	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@H](C)c2ccc(OC)cc2)C1=O	ZINC000281229995	426707343	/nfs/dbraw/zinc/70/73/43/426707343.db2.gz	KYRIUMLLEOUWPH-YOEHRIQHSA-N	0	3	302.418	2.517	20	30		DFEDHN
C=CCN1CC[C@H](N(CCCCOC)Cc2ccccc2)C1=O	ZINC000281907880	426790090	/nfs/dbraw/zinc/79/00/90/426790090.db2.gz	GFFIWWZJIWLWSU-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
COc1cc(CNCc2ccc(C3OCCO3)cc2)ccc1C#N	ZINC000281587640	426724463	/nfs/dbraw/zinc/72/44/63/426724463.db2.gz	DUOZJNHXEKDMEX-UHFFFAOYSA-N	0	3	324.380	2.902	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccc(C#N)cc1	ZINC000266394745	426724788	/nfs/dbraw/zinc/72/47/88/426724788.db2.gz	GIDLDVCEXKQDGK-KEYYUXOJSA-N	0	3	314.433	2.743	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCC[C@@H](C)C1	ZINC000188253634	426735602	/nfs/dbraw/zinc/73/56/02/426735602.db2.gz	PQQZXPFAPMWCSD-OLZOCXBDSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@@H](NCCc1cn2c(n1)SCC2)c1ccc(C#N)c(F)c1	ZINC000274362856	426753646	/nfs/dbraw/zinc/75/36/46/426753646.db2.gz	IPVMFUZZEYNPCX-LLVKDONJSA-N	0	3	316.405	2.893	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1	ZINC000290431035	426762866	/nfs/dbraw/zinc/76/28/66/426762866.db2.gz	KDIPXYIOPYIFHW-CQSZACIVSA-N	0	3	317.389	2.792	20	30		DFEDHN
COc1cc(CNC[C@@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000281785853	426764775	/nfs/dbraw/zinc/76/47/75/426764775.db2.gz	UAKBQSSMPQBPOF-SFHVURJKSA-N	0	3	309.413	2.959	20	30		DFEDHN
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)NC(C)(C)CC	ZINC000274590083	426798194	/nfs/dbraw/zinc/79/81/94/426798194.db2.gz	JLVJHPJOKIGOQB-CYBMUJFWSA-N	0	3	317.433	2.708	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1C)C(C)C	ZINC000274636893	426807091	/nfs/dbraw/zinc/80/70/91/426807091.db2.gz	YFWMDZRUCOIQJC-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC	ZINC000267006333	426810619	/nfs/dbraw/zinc/81/06/19/426810619.db2.gz	CEWNHEPGCMPVFC-CQSZACIVSA-N	0	3	316.405	2.515	20	30		DFEDHN
CS[C@@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246407907	426830043	/nfs/dbraw/zinc/83/00/43/426830043.db2.gz	BHPYFAAXAQNSOV-HUUCEWRRSA-N	0	3	323.506	2.935	20	30		DFEDHN
C=CCCCC(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000267154313	426833084	/nfs/dbraw/zinc/83/30/84/426833084.db2.gz	JCFGNLMRTDJOOO-UHFFFAOYSA-N	0	3	304.434	2.642	20	30		DFEDHN
C=CCOc1ccc(CNCC2([S@@](C)=O)CC2)cc1Cl	ZINC000282506583	426917195	/nfs/dbraw/zinc/91/71/95/426917195.db2.gz	XCKRVNAIFBPTGG-HXUWFJFHSA-N	0	3	313.850	2.906	20	30		DFEDHN
Cc1nc(C(=O)Nc2ccccc2CCN(C)C)ccc1C#N	ZINC000275796565	426919806	/nfs/dbraw/zinc/91/98/06/426919806.db2.gz	IBIOEGLKGPNNOF-UHFFFAOYSA-N	0	3	308.385	2.618	20	30		DFEDHN
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CCOC1	ZINC000246811018	426868591	/nfs/dbraw/zinc/86/85/91/426868591.db2.gz	ABEBLQYLIRSTJU-NWDGAFQWSA-N	0	3	321.808	2.507	20	30		DFEDHN
COc1ccc(CN2CCCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000267333041	426874559	/nfs/dbraw/zinc/87/45/59/426874559.db2.gz	CDJJXWGMAKUWQJ-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000275620913	426880477	/nfs/dbraw/zinc/88/04/77/426880477.db2.gz	MNVBJFBYLNGHNA-PKOBYXMFSA-N	0	3	316.445	2.606	20	30		DFEDHN
N#Cc1ccc(N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000267927131	426889400	/nfs/dbraw/zinc/88/94/00/426889400.db2.gz	KPDPNLLFPIJACY-UHFFFAOYSA-N	0	3	300.362	2.531	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](Cn3ccnn3)C2)c1	ZINC000180799406	426891517	/nfs/dbraw/zinc/89/15/17/426891517.db2.gz	IYFDWNKFSUBVTF-QGZVFWFLSA-N	0	3	312.417	2.755	20	30		DFEDHN
Cn1cc(CNCc2ccc(Br)cc2)cc1C#N	ZINC000189576850	426897282	/nfs/dbraw/zinc/89/72/82/426897282.db2.gz	QYBJELKTWDEVSK-UHFFFAOYSA-N	0	3	304.191	2.949	20	30		DFEDHN
C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc3nn[n-]c32)CC1	ZINC000328647853	426984618	/nfs/dbraw/zinc/98/46/18/426984618.db2.gz	HTAMYASHIOWGHI-UHFFFAOYSA-N	0	3	319.384	2.522	20	30		DFEDHN
C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc3[n-]nnc32)CC1	ZINC000328647853	426984627	/nfs/dbraw/zinc/98/46/27/426984627.db2.gz	HTAMYASHIOWGHI-UHFFFAOYSA-N	0	3	319.384	2.522	20	30		DFEDHN
C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc3n[n-]nc32)CC1	ZINC000328647853	426984633	/nfs/dbraw/zinc/98/46/33/426984633.db2.gz	HTAMYASHIOWGHI-UHFFFAOYSA-N	0	3	319.384	2.522	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)C[C@@H](O)c2ccc(C#N)cc2)C12CCC2	ZINC000248194311	426986068	/nfs/dbraw/zinc/98/60/68/426986068.db2.gz	JWOKSUJLYVXFAO-FGTMMUONSA-N	0	3	314.429	2.871	20	30		DFEDHN
O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCCN1C1CCOCC1	ZINC000328671255	426989227	/nfs/dbraw/zinc/98/92/27/426989227.db2.gz	HBKDHHVOOHFGAQ-DOTOQJQBSA-N	0	3	324.465	2.528	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)C1CCCC1	ZINC000328728057	426991334	/nfs/dbraw/zinc/99/13/34/426991334.db2.gz	GQAHLTDMYMTIEG-IMJJTQAJSA-N	0	3	321.465	2.607	20	30		DFEDHN
C[C@@H](CNCc1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C	ZINC000282848068	426928974	/nfs/dbraw/zinc/92/89/74/426928974.db2.gz	PHYLPGMPSLGBQR-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CCN2CCC[C@H]2C1	ZINC000248386653	426996168	/nfs/dbraw/zinc/99/61/68/426996168.db2.gz	NIABVJNCAJTHMC-ZDUSSCGKSA-N	0	3	306.207	2.605	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H]2CC[C@@H](C#N)C2)on1	ZINC000328827585	427002409	/nfs/dbraw/zinc/00/24/09/427002409.db2.gz	JOHQAMXARRPSJG-QXSJWSMHSA-N	0	3	320.412	2.520	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1cnc(C2CC2)nc1	ZINC000328872771	427006276	/nfs/dbraw/zinc/00/62/76/427006276.db2.gz	QRZSZTZYQHOAMA-BETUJISGSA-N	0	3	302.422	2.726	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)s1	ZINC000328871124	427006916	/nfs/dbraw/zinc/00/69/16/427006916.db2.gz	YFFWNPMRYIQLDY-HIFRSBDPSA-N	0	3	317.458	2.943	20	30		DFEDHN
O=C(Nc1scnc1C1CC1)NC1CCN(C2CC2)CC1	ZINC000328907284	427009133	/nfs/dbraw/zinc/00/91/33/427009133.db2.gz	CAGKDTRESGAVHO-UHFFFAOYSA-N	0	3	306.435	2.973	20	30		DFEDHN
CNC(=O)c1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c1	ZINC000328903830	427009550	/nfs/dbraw/zinc/00/95/50/427009550.db2.gz	IKZCLDRNNVKJQK-ZBFHGGJFSA-N	0	3	301.390	2.608	20	30		DFEDHN
CN(C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccccc1	ZINC000268425695	427012796	/nfs/dbraw/zinc/01/27/96/427012796.db2.gz	AERRDFDYZVIFSL-CQSZACIVSA-N	0	3	311.345	2.576	20	30		DFEDHN
CC#CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000190110931	427022885	/nfs/dbraw/zinc/02/28/85/427022885.db2.gz	GHRWVCVRNRVYHT-UHFFFAOYSA-N	0	3	315.417	2.696	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNc2nccc(C#N)c2[N+](=O)[O-])C1	ZINC000268468863	427025812	/nfs/dbraw/zinc/02/58/12/427025812.db2.gz	IVPZEYRSDDNHOD-LBPRGKRZSA-N	0	3	317.393	2.784	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCN(CC(C)C)CC1	ZINC000337915507	427035556	/nfs/dbraw/zinc/03/55/56/427035556.db2.gz	TXQYDDHBAVHYAM-UHFFFAOYSA-N	0	3	315.421	2.502	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1	ZINC000337916682	427038787	/nfs/dbraw/zinc/03/87/87/427038787.db2.gz	VBAVVXXQKGEOMJ-MRXNPFEDSA-N	0	3	317.481	2.727	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCCCC1	ZINC000329094750	427042547	/nfs/dbraw/zinc/04/25/47/427042547.db2.gz	BDNNUNASJSAHOH-BFYDXBDKSA-N	0	3	310.438	2.546	20	30		DFEDHN
C=CCCN(C)CC(=O)N(Cc1ccco1)CC(F)(F)F	ZINC000276365034	427044848	/nfs/dbraw/zinc/04/48/48/427044848.db2.gz	GGUHYYVBEIJQKI-UHFFFAOYSA-N	0	3	304.312	2.678	20	30		DFEDHN
CC#CCN1CCC2(C[C@H]2N(Cc2ccsc2)C(C)=O)CC1	ZINC000276362426	427046874	/nfs/dbraw/zinc/04/68/74/427046874.db2.gz	IHBZRHAWAUWZND-QGZVFWFLSA-N	0	3	316.470	2.974	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2ccc3nsnc3c2)C1	ZINC000329126123	427049879	/nfs/dbraw/zinc/04/98/79/427049879.db2.gz	YJAWKZSXSCWTCI-LLVKDONJSA-N	0	3	304.419	2.728	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOC/C(Cl)=C/Cl)cc1	ZINC000268567484	427055073	/nfs/dbraw/zinc/05/50/73/427055073.db2.gz	HFYDNBGFISOZST-GHXNOFRVSA-N	0	3	302.205	2.704	20	30		DFEDHN
COCCN(CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268634000	427074558	/nfs/dbraw/zinc/07/45/58/427074558.db2.gz	CCIVXBMFGOEECF-HXUWFJFHSA-N	0	3	324.424	2.783	20	30		DFEDHN
C[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C1=CCN(C)CC1	ZINC000329356319	427099397	/nfs/dbraw/zinc/09/93/97/427099397.db2.gz	WDSCHTZYALJUCK-WCQYABFASA-N	0	3	321.446	2.950	20	30		DFEDHN
COc1ccc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292131856	427101222	/nfs/dbraw/zinc/10/12/22/427101222.db2.gz	ITRQJXNTDQVQQY-SFHVURJKSA-N	0	3	323.396	2.658	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1	ZINC000190423221	427102055	/nfs/dbraw/zinc/10/20/55/427102055.db2.gz	KUXKHCCGSJCNMD-IRXDYDNUSA-N	0	3	310.401	2.785	20	30		DFEDHN
CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(C#N)cs1	ZINC000190427645	427105703	/nfs/dbraw/zinc/10/57/03/427105703.db2.gz	YJRBKONZIIHBCQ-GJZGRUSLSA-N	0	3	316.430	2.846	20	30		DFEDHN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)C(C#N)CCc1ccccc1	ZINC000329416135	427110577	/nfs/dbraw/zinc/11/05/77/427110577.db2.gz	ZBBCVITXEDSZBO-KCTOORRSSA-N	0	3	324.424	2.641	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCSC[C@@H](C)C1	ZINC000190465404	427115833	/nfs/dbraw/zinc/11/58/33/427115833.db2.gz	NISRPCHMIUABIH-RDJZCZTQSA-N	0	3	321.486	2.840	20	30		DFEDHN
Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000329449097	427118833	/nfs/dbraw/zinc/11/88/33/427118833.db2.gz	DGENCCBCFCBFLE-HOCLYGCPSA-N	0	3	302.422	2.628	20	30		DFEDHN
C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@@H]1CCCCO1	ZINC000329456422	427118881	/nfs/dbraw/zinc/11/88/81/427118881.db2.gz	MYGUQNGHPORIDR-BPUTZDHNSA-N	0	3	310.438	2.544	20	30		DFEDHN
C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@H]1CCCCO1	ZINC000329456425	427119247	/nfs/dbraw/zinc/11/92/47/427119247.db2.gz	MYGUQNGHPORIDR-CWRNSKLLSA-N	0	3	310.438	2.544	20	30		DFEDHN
C[C@@H](O)CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)CO	ZINC000248921949	427063268	/nfs/dbraw/zinc/06/32/68/427063268.db2.gz	KYFVTZNJBTYZPU-HZPDHXFCSA-N	0	3	324.424	2.789	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)NCc1ccccc1CN(C)C	ZINC000338084845	427133240	/nfs/dbraw/zinc/13/32/40/427133240.db2.gz	JKEDEVHDTZDQEX-UHFFFAOYSA-N	0	3	307.397	2.858	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000329528660	427133622	/nfs/dbraw/zinc/13/36/22/427133622.db2.gz	USGFLLFOVYWYSX-NWDGAFQWSA-N	0	3	304.438	2.747	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000329528663	427135271	/nfs/dbraw/zinc/13/52/71/427135271.db2.gz	USGFLLFOVYWYSX-RYUDHWBXSA-N	0	3	304.438	2.747	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2	ZINC000329541932	427136729	/nfs/dbraw/zinc/13/67/29/427136729.db2.gz	XMWJTLJZRVQXGB-AIANPOQGSA-N	0	3	310.438	2.544	20	30		DFEDHN
O=C(NCCc1cc2ccccc2o1)N[C@H]1CCN(C2CC2)C1	ZINC000329537947	427137172	/nfs/dbraw/zinc/13/71/72/427137172.db2.gz	VFFCYUQIANAMEV-AWEZNQCLSA-N	0	3	313.401	2.716	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1OC	ZINC000249769866	427144536	/nfs/dbraw/zinc/14/45/36/427144536.db2.gz	BMRHZLKRCGBDGR-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000277283681	427151368	/nfs/dbraw/zinc/15/13/68/427151368.db2.gz	CLINTUPEJPTGTR-IBGZPJMESA-N	0	3	310.441	2.631	20	30		DFEDHN
CCc1nc(C2CCN(Cc3cc(C#N)ccc3F)CC2)n[nH]1	ZINC000190670361	427157484	/nfs/dbraw/zinc/15/74/84/427157484.db2.gz	KMBZPHZMJBSHNH-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3cc(C#N)ccc3F)CC2)n1	ZINC000190670361	427157488	/nfs/dbraw/zinc/15/74/88/427157488.db2.gz	KMBZPHZMJBSHNH-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3cc(C#N)ccc3F)CC2)[nH]1	ZINC000190670361	427157499	/nfs/dbraw/zinc/15/74/99/427157499.db2.gz	KMBZPHZMJBSHNH-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN(C2CCC2)C1	ZINC000292323290	427173928	/nfs/dbraw/zinc/17/39/28/427173928.db2.gz	OWKNXIHPEYHBAK-LBPRGKRZSA-N	0	3	304.825	2.917	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCCN2C)cc1C#N	ZINC000269370009	427181543	/nfs/dbraw/zinc/18/15/43/427181543.db2.gz	HIMYYXVZGYJSEU-HNNXBMFYSA-N	0	3	316.405	2.561	20	30		DFEDHN
Cn1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C#N	ZINC000190845120	427188181	/nfs/dbraw/zinc/18/81/81/427188181.db2.gz	FDEYWECIAQXGBP-IBGZPJMESA-N	0	3	323.396	2.909	20	30		DFEDHN
Cc1nc(N2CC[C@H](N3CCCC3)[C@@H]2C)c(Cl)cc1C#N	ZINC000292505005	427188729	/nfs/dbraw/zinc/18/87/29/427188729.db2.gz	GBMPPNXJXMBTMS-WFASDCNBSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@]2(O)CCCC[C@H]2C1	ZINC000252644179	427190650	/nfs/dbraw/zinc/19/06/50/427190650.db2.gz	NNPIFMCZIDWNQP-FUHWJXTLSA-N	0	3	300.402	2.564	20	30		DFEDHN
Cc1nc(N2CCC[C@@H]3CN(C)CC[C@H]32)c(Cl)cc1C#N	ZINC000292815043	427200744	/nfs/dbraw/zinc/20/07/44/427200744.db2.gz	ZJUIRHAYVDDDLW-IUODEOHRSA-N	0	3	304.825	2.836	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H](C)[C@@H](C)C(=O)OCC)cc1	ZINC000190958456	427215847	/nfs/dbraw/zinc/21/58/47/427215847.db2.gz	RKBICOVHDGSZBN-HUUCEWRRSA-N	0	3	303.402	2.766	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1Br)[C@H]1CCCO1	ZINC000183236124	427228189	/nfs/dbraw/zinc/22/81/89/427228189.db2.gz	UCSDMEOBTBJZJI-IINYFYTJSA-N	0	3	309.207	2.978	20	30		DFEDHN
CC(C)C[C@@H](C)CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000330387903	427229058	/nfs/dbraw/zinc/22/90/58/427229058.db2.gz	MXJDPHAACBOPIP-CABCVRRESA-N	0	3	301.438	2.541	20	30		DFEDHN
Cn1cc(CNCCc2nc3c(s2)CCCC3)cc1C#N	ZINC000191041606	427239230	/nfs/dbraw/zinc/23/92/30/427239230.db2.gz	CDWXMKHVGOHUIC-UHFFFAOYSA-N	0	3	300.431	2.564	20	30		DFEDHN
CCn1nc(C)c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1C	ZINC000330462561	427246591	/nfs/dbraw/zinc/24/65/91/427246591.db2.gz	SMOMGMFIADQIPU-QWHCGFSZSA-N	0	3	306.454	2.945	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1	ZINC000330515344	427257500	/nfs/dbraw/zinc/25/75/00/427257500.db2.gz	VQTYMUXTXPPYFG-CQSZACIVSA-N	0	3	306.406	2.801	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](COC)C1CC1	ZINC000269714865	427258101	/nfs/dbraw/zinc/25/81/01/427258101.db2.gz	RGTKJZSOSUOKRF-XJKSGUPXSA-N	0	3	322.474	2.666	20	30		DFEDHN
CC[C@@H]1CCCN1CC(=O)NC(=O)Nc1cccc(C)c1C	ZINC000330528037	427259640	/nfs/dbraw/zinc/25/96/40/427259640.db2.gz	RHBYIVDEYQQAEH-CQSZACIVSA-N	0	3	303.406	2.840	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)NCCN1CCCCCC1	ZINC000338336331	427264524	/nfs/dbraw/zinc/26/45/24/427264524.db2.gz	BGZWOCDUEQWLRG-UHFFFAOYSA-N	0	3	304.369	2.695	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@@H]1CCOC[C@@H]1C	ZINC000277645992	427272227	/nfs/dbraw/zinc/27/22/27/427272227.db2.gz	ZUCOOEFGLTVAEZ-UONOGXRCSA-N	0	3	320.458	2.918	20	30		DFEDHN
CC(C)(C)[C@@H]1CCCN1CC(=O)NC(=O)Nc1ccccc1	ZINC000330615437	427274999	/nfs/dbraw/zinc/27/49/99/427274999.db2.gz	CLMSGXJCBBHBBG-AWEZNQCLSA-N	0	3	303.406	2.859	20	30		DFEDHN
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000330811236	427306153	/nfs/dbraw/zinc/30/61/53/427306153.db2.gz	OQFATPAWOZMVID-SJORKVTESA-N	0	3	312.417	2.695	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CCCC#N)[C@@H]1c1cccs1	ZINC000330878854	427311774	/nfs/dbraw/zinc/31/17/74/427311774.db2.gz	AOMNLAFQENVIPR-CZUORRHYSA-N	0	3	305.447	2.941	20	30		DFEDHN
COCC(C)(C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000330934300	427318934	/nfs/dbraw/zinc/31/89/34/427318934.db2.gz	HZLCBFKQLIWVDG-GDBMZVCRSA-N	0	3	319.449	2.751	20	30		DFEDHN
CCn1nc(C)c(C(=O)NCCN2CCCC(C)(C)C2)c1C	ZINC000330978303	427323694	/nfs/dbraw/zinc/32/36/94/427323694.db2.gz	OXYWZGWJNLKZGX-UHFFFAOYSA-N	0	3	306.454	2.946	20	30		DFEDHN
CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000331001948	427325125	/nfs/dbraw/zinc/32/51/25/427325125.db2.gz	QZLMCBBXBDAJIV-WBVHZDCISA-N	0	3	317.408	2.702	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)c(C)n2)c1	ZINC000270391222	427343622	/nfs/dbraw/zinc/34/36/22/427343622.db2.gz	RSGMGARJTTZLBL-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1	ZINC000270417841	427350970	/nfs/dbraw/zinc/35/09/70/427350970.db2.gz	MMWFJDCQELQSNH-ZWKOTPCHSA-N	0	3	313.445	2.877	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)NCCN2CCC(C)CC2)cc1C	ZINC000330676635	427291939	/nfs/dbraw/zinc/29/19/39/427291939.db2.gz	APJKYUYQFQHWQX-AWEZNQCLSA-N	0	3	321.469	3.220	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1CCCC[C@H]1Cc1ccccc1	ZINC000331231281	427376421	/nfs/dbraw/zinc/37/64/21/427376421.db2.gz	QMCXJXJGDJAVFK-HOCLYGCPSA-N	0	3	317.433	2.522	20	30		DFEDHN
CC(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[O-]	ZINC000331246414	427380093	/nfs/dbraw/zinc/38/00/93/427380093.db2.gz	VDIUYTNUGVISPG-UHFFFAOYSA-N	0	3	304.390	2.774	20	30		DFEDHN
COc1cccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)c1O	ZINC000331248567	427380453	/nfs/dbraw/zinc/38/04/53/427380453.db2.gz	WWOCIVLRDOMOTH-CQSZACIVSA-N	0	3	306.406	2.826	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)c1ccc(C)cc1C	ZINC000331252375	427383328	/nfs/dbraw/zinc/38/33/28/427383328.db2.gz	ULTAVNYZAHEZRR-KBPBESRZSA-N	0	3	305.422	2.735	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000331279755	427388561	/nfs/dbraw/zinc/38/85/61/427388561.db2.gz	KGMFKFCJITXXRX-INIZCTEOSA-N	0	3	318.446	2.630	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C(C)(C)C1	ZINC000331276716	427389242	/nfs/dbraw/zinc/38/92/42/427389242.db2.gz	CRZQJKMFSWFPKD-ZFWWWQNUSA-N	0	3	317.433	2.551	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1	ZINC000331293299	427391949	/nfs/dbraw/zinc/39/19/49/427391949.db2.gz	LRUARLSZULCXQM-UHFFFAOYSA-N	0	3	320.393	2.604	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1	ZINC000331285213	427392072	/nfs/dbraw/zinc/39/20/72/427392072.db2.gz	GJYXOZKEVSICSC-UHFFFAOYSA-N	0	3	320.393	2.604	20	30		DFEDHN
Cc1ncc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)s1	ZINC000331314970	427395574	/nfs/dbraw/zinc/39/55/74/427395574.db2.gz	IKFCFROCSCTEAL-ZDUSSCGKSA-N	0	3	310.467	2.576	20	30		DFEDHN
Cc1nn(C)cc1[C@H](C)NC1CCN(c2ccc(C#N)cc2)CC1	ZINC000286013610	427401663	/nfs/dbraw/zinc/40/16/63/427401663.db2.gz	JJSCKMIOJUBMQF-AWEZNQCLSA-N	0	3	323.444	2.920	20	30		DFEDHN
C[C@]1(CO)CCC[C@H]1NCc1cc(C#N)ccc1Br	ZINC000331129816	427354659	/nfs/dbraw/zinc/35/46/59/427354659.db2.gz	ALTHXEBBGRBZPF-HUUCEWRRSA-N	0	3	323.234	2.961	20	30		DFEDHN
Cn1cc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)cc1C#N	ZINC000191494921	427362647	/nfs/dbraw/zinc/36/26/47/427362647.db2.gz	RHUHEPKYMRWCAC-IBGZPJMESA-N	0	3	309.413	2.670	20	30		DFEDHN
C=C[C@H](CC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1)c1ccccc1	ZINC000270990045	427366175	/nfs/dbraw/zinc/36/61/75/427366175.db2.gz	DTPNQCIKHFWYHG-DJIMGWMZSA-N	0	3	318.486	2.850	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)c(F)c1	ZINC000331193536	427366835	/nfs/dbraw/zinc/36/68/35/427366835.db2.gz	YABACKVIRZAEDB-PBHICJAKSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cc(C#N)n(C)c1	ZINC000191515845	427368884	/nfs/dbraw/zinc/36/88/84/427368884.db2.gz	CVBWHJKSZMJEAM-YVEFUNNKSA-N	0	3	301.365	2.638	20	30		DFEDHN
C#CCn1ccc(CN(CC)[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000297830916	427463784	/nfs/dbraw/zinc/46/37/84/427463784.db2.gz	ZPMXAWFKGBZUDA-FQEVSTJZSA-N	0	3	322.456	2.613	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1	ZINC000293857855	427465325	/nfs/dbraw/zinc/46/53/25/427465325.db2.gz	DQEWSNZVEFQAKB-KRWDZBQOSA-N	0	3	317.820	2.770	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1	ZINC000192136535	427488621	/nfs/dbraw/zinc/48/86/21/427488621.db2.gz	YXKGJSPOBWKDNZ-AWEZNQCLSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](c2ncc[nH]2)c2ccccn2)CC1	ZINC000278873671	427484404	/nfs/dbraw/zinc/48/44/04/427484404.db2.gz	XFTNMNHSFHMWSI-KRWDZBQOSA-N	0	3	311.433	2.524	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1	ZINC000297652222	427421968	/nfs/dbraw/zinc/42/19/68/427421968.db2.gz	ZYACCGRZYHFLGU-INIZCTEOSA-N	0	3	317.433	2.780	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000297929538	427487277	/nfs/dbraw/zinc/48/72/77/427487277.db2.gz	LLDOTEQASPTPLB-AEFFLSMTSA-N	0	3	313.445	2.562	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000286132405	427431616	/nfs/dbraw/zinc/43/16/16/427431616.db2.gz	OBUBIJDPLAPWAM-KGLIPLIRSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nc(C(C)C)nc(N(C)C)n2)CC1	ZINC000271188933	427438057	/nfs/dbraw/zinc/43/80/57/427438057.db2.gz	NZMBPNPGOLXRDJ-UHFFFAOYSA-N	0	3	318.469	2.513	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCS[C@@H](C)CC1	ZINC000192194325	427500888	/nfs/dbraw/zinc/50/08/88/427500888.db2.gz	BZNNHKMCNFXDPB-ZDUSSCGKSA-N	0	3	306.431	2.773	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(c3ccncn3)CC2)c1	ZINC000298040517	427509169	/nfs/dbraw/zinc/50/91/69/427509169.db2.gz	DDPWDTWLXNPJLD-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C	ZINC000298134123	427525302	/nfs/dbraw/zinc/52/53/02/427525302.db2.gz	YYTPHSHRJUHJDZ-MSOLQXFVSA-N	0	3	313.445	2.560	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1cc(C#N)ccc1[N+](=O)[O-]	ZINC000286440506	427528145	/nfs/dbraw/zinc/52/81/45/427528145.db2.gz	SOFHYCYAHRAQGL-TZMCWYRMSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCCC2	ZINC000286434846	427528566	/nfs/dbraw/zinc/52/85/66/427528566.db2.gz	SCJYAHUCLHEGPW-RHSMWYFYSA-N	0	3	310.445	2.895	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1	ZINC000298196377	427530521	/nfs/dbraw/zinc/53/05/21/427530521.db2.gz	DDXDGNQZFHGWDU-WBVHZDCISA-N	0	3	310.397	2.957	20	30		DFEDHN
C=CCC[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)C1CC1	ZINC000272069570	427621831	/nfs/dbraw/zinc/62/18/31/427621831.db2.gz	JPUHCEPKQUHZKR-JSGCOSHPSA-N	0	3	317.355	2.504	20	30		DFEDHN
N#Cc1nccnc1NCC1CCN(Cc2cccs2)CC1	ZINC000263803376	427575764	/nfs/dbraw/zinc/57/57/64/427575764.db2.gz	LWRQRCLPJRBDIM-UHFFFAOYSA-N	0	3	313.430	2.734	20	30		DFEDHN
CC(C)[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000185163108	427606563	/nfs/dbraw/zinc/60/65/63/427606563.db2.gz	FZLOSIBCWSWPHR-ZWKOTPCHSA-N	0	3	313.445	2.741	20	30		DFEDHN
CO[C@@]1(C)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000279234320	427607265	/nfs/dbraw/zinc/60/72/65/427607265.db2.gz	FERYRWLPVCULDS-IBGZPJMESA-N	0	3	324.428	2.960	20	30		DFEDHN
C[C@H]1COCC[C@H]1NCc1ccc(Br)cc1C#N	ZINC000287577942	427642815	/nfs/dbraw/zinc/64/28/15/427642815.db2.gz	CBUFQSBGKWTGJL-IINYFYTJSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@@H]1CN(CCOCCC#N)[C@@H](C)CN1Cc1ccccc1	ZINC000339060121	427655903	/nfs/dbraw/zinc/65/59/03/427655903.db2.gz	NZKJVDWGEFAVBQ-DLBZAZTESA-N	0	3	301.434	2.511	20	30		DFEDHN
COc1ccc(CNC[C@H](Cc2ccccc2)OC)cc1C#N	ZINC000294766655	427656634	/nfs/dbraw/zinc/65/66/34/427656634.db2.gz	JSFCBMHKXUUISA-SFHVURJKSA-N	0	3	310.397	2.914	20	30		DFEDHN
CN1CC[C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)[C@H]2C1	ZINC000272180849	427663052	/nfs/dbraw/zinc/66/30/52/427663052.db2.gz	KIMVNPJMLQXXIV-JQWIXIFHSA-N	0	3	310.323	2.502	20	30		DFEDHN
N#Cc1ccc([C@@H](NCC2CC(c3ccccc3)C2)C(N)=O)cc1	ZINC000339094758	427671043	/nfs/dbraw/zinc/67/10/43/427671043.db2.gz	WEVCFTOVCKHEHJ-XUJQIHCRSA-N	0	3	319.408	2.868	20	30		DFEDHN
CN(CCc1ccccc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279444057	427674736	/nfs/dbraw/zinc/67/47/36/427674736.db2.gz	YUHWZULHLKOUII-IBGZPJMESA-N	0	3	317.392	2.942	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(O)(Cc3ccc(F)cc3)CC2)C1	ZINC000339098854	427675082	/nfs/dbraw/zinc/67/50/82/427675082.db2.gz	LIXDDZLFXBLCJF-DOTOQJQBSA-N	0	3	302.393	2.887	20	30		DFEDHN
CCCCN(CCO)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000272219000	427675222	/nfs/dbraw/zinc/67/52/22/427675222.db2.gz	BSHKMQFCFNFZEG-UHFFFAOYSA-N	0	3	312.417	2.553	20	30		DFEDHN
CC(C)[C@H](CCO)NCc1ccc(Br)cc1C#N	ZINC000287750687	427683282	/nfs/dbraw/zinc/68/32/82/427683282.db2.gz	LQLWRZKNLSLQDN-AWEZNQCLSA-N	0	3	311.223	2.817	20	30		DFEDHN
CCOC(=O)c1csc(CCN[C@@H]2CCC[C@H](C#N)C2)n1	ZINC000193338765	427686616	/nfs/dbraw/zinc/68/66/16/427686616.db2.gz	WLCNDMKKGWIUOA-NWDGAFQWSA-N	0	3	307.419	2.534	20	30		DFEDHN
CCC(CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000279527001	427694336	/nfs/dbraw/zinc/69/43/36/427694336.db2.gz	GRQDWELBXUKFLC-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
C=Cn1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000193650355	427702155	/nfs/dbraw/zinc/70/21/55/427702155.db2.gz	KPZKAIRZYPGQFS-UHFFFAOYSA-N	0	3	321.428	2.563	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N2CCC[C@@]2(C)C1=O)C(C)C	ZINC000272326139	427710229	/nfs/dbraw/zinc/71/02/29/427710229.db2.gz	UBMBJIZRZREGTR-QAPCUYQASA-N	0	3	319.449	2.502	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1	ZINC000336854225	427760528	/nfs/dbraw/zinc/76/05/28/427760528.db2.gz	NBHSCYYLGVNYGT-WFASDCNBSA-N	0	3	300.362	2.529	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21)OCC	ZINC000339366960	427760578	/nfs/dbraw/zinc/76/05/78/427760578.db2.gz	QIWYARVAPGLNIC-FUHWJXTLSA-N	0	3	316.445	2.877	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN1C	ZINC000299229438	427762800	/nfs/dbraw/zinc/76/28/00/427762800.db2.gz	CNXWPQMOGWNFGC-CQSZACIVSA-N	0	3	316.405	2.561	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000301058287	427773036	/nfs/dbraw/zinc/77/30/36/427773036.db2.gz	AREAXBQEODLOKJ-STQMWFEESA-N	0	3	302.378	2.999	20	30		DFEDHN
CC(C)[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000336937231	427777795	/nfs/dbraw/zinc/77/77/95/427777795.db2.gz	FJVKPZBGGHTLPB-ZDUSSCGKSA-N	0	3	312.339	2.748	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)cn1	ZINC000301323768	427788614	/nfs/dbraw/zinc/78/86/14/427788614.db2.gz	WPAPTDCNGSCALC-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@]1(C)Cc1ccccc1	ZINC000186057462	427744353	/nfs/dbraw/zinc/74/43/53/427744353.db2.gz	HWQHMYSISFWXQT-LJQANCHMSA-N	0	3	313.445	2.846	20	30		DFEDHN
CCc1nnc(NC[C@@H](CC)N2CCCC2)c(C#N)c1CC	ZINC000301612855	427809651	/nfs/dbraw/zinc/80/96/51/427809651.db2.gz	GJSPHDYBCIDCOW-CYBMUJFWSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=CCN1CC[C@H](N(CCC)[C@H]2C[C@@H](OCC)C2(C)C)C1=O	ZINC000337176327	427810345	/nfs/dbraw/zinc/81/03/45/427810345.db2.gz	JHDRQTSMXGQBLO-HRCADAONSA-N	0	3	308.466	2.689	20	30		DFEDHN
CCc1nnc(N2CCC[C@@H](N3CCCC3)C2)c(C#N)c1CC	ZINC000301642012	427811690	/nfs/dbraw/zinc/81/16/90/427811690.db2.gz	ZEGSZGDVTLDJOO-CQSZACIVSA-N	0	3	313.449	2.538	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](CO)(C(C)C)C1	ZINC000339700694	427814749	/nfs/dbraw/zinc/81/47/49/427814749.db2.gz	DUTYJGKTWYTTJK-AEFFLSMTSA-N	0	3	310.482	2.530	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000339742127	427820981	/nfs/dbraw/zinc/82/09/81/427820981.db2.gz	ICHALYLHUZVTRC-HZPDHXFCSA-N	0	3	322.493	2.937	20	30		DFEDHN
CN1CCC[C@@H](CNc2ccc(C#N)nn2)[C@@H]1c1cccs1	ZINC000301892590	427835808	/nfs/dbraw/zinc/83/58/08/427835808.db2.gz	AFINNZLNSIRRHZ-BLLLJJGKSA-N	0	3	313.430	2.905	20	30		DFEDHN
COc1ccc([C@@H](CNc2ccc(C#N)nn2)N2CCCC2)cc1	ZINC000301943345	427844570	/nfs/dbraw/zinc/84/45/70/427844570.db2.gz	WBWCFVDAAMQMRH-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1cnc(C#N)cn1	ZINC000302445601	427851539	/nfs/dbraw/zinc/85/15/39/427851539.db2.gz	RXQXTSSIGFVIHA-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
N#Cc1cnc2c(F)cc(F)cc2c1NCCN1CCCC1	ZINC000359500046	427876815	/nfs/dbraw/zinc/87/68/15/427876815.db2.gz	VRVCFNWYFXYXGA-UHFFFAOYSA-N	0	3	302.328	2.892	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1	ZINC000339940257	427878353	/nfs/dbraw/zinc/87/83/53/427878353.db2.gz	XIJGFELPRLAHGJ-PBHICJAKSA-N	0	3	321.380	2.512	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@@]3(CCCOC3)C2)c1	ZINC000355779115	427889406	/nfs/dbraw/zinc/88/94/06/427889406.db2.gz	GIRTUVACZFFWPI-GOSISDBHSA-N	0	3	300.402	2.830	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)C1	ZINC000339967405	427890719	/nfs/dbraw/zinc/89/07/19/427890719.db2.gz	YDRIXIZJEUFECK-BFYDXBDKSA-N	0	3	314.433	2.623	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@@H](CO)c2cccc(F)c2)c1	ZINC000359524253	427891382	/nfs/dbraw/zinc/89/13/82/427891382.db2.gz	WHMJFTDOWVLBRF-SFHVURJKSA-N	0	3	314.360	2.789	20	30		DFEDHN
CC(C)(C#N)CNC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000355812221	427904922	/nfs/dbraw/zinc/90/49/22/427904922.db2.gz	NMFVVMUVQVAHGM-UHFFFAOYSA-N	0	3	320.481	2.882	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1	ZINC000359555035	427906269	/nfs/dbraw/zinc/90/62/69/427906269.db2.gz	JXBDGQWTNFXRAT-ATLSCFEFSA-N	0	3	305.466	2.941	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@@H](Nc3ccccc3)C2)cc1	ZINC000305089761	427954972	/nfs/dbraw/zinc/95/49/72/427954972.db2.gz	WCJFMNQYDNLWIJ-RTBURBONSA-N	0	3	307.397	2.778	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCCOC1)C(C)C	ZINC000350748733	427969477	/nfs/dbraw/zinc/96/94/77/427969477.db2.gz	OEERKNDCEHPWSQ-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)o1)C(C)C	ZINC000340300262	427981935	/nfs/dbraw/zinc/98/19/35/427981935.db2.gz	GVLHGTZNQXNAQW-HNNXBMFYSA-N	0	3	301.390	2.580	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)o1)C(C)C	ZINC000340300265	427982304	/nfs/dbraw/zinc/98/23/04/427982304.db2.gz	GVLHGTZNQXNAQW-OAHLLOKOSA-N	0	3	301.390	2.580	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413185007	427983214	/nfs/dbraw/zinc/98/32/14/427983214.db2.gz	LAIYUFISCNEKGF-SWLSCSKDSA-N	0	3	302.378	2.916	20	30		DFEDHN
Cc1cc(N[C@H]2CN(C(C)C)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413185005	427983966	/nfs/dbraw/zinc/98/39/66/427983966.db2.gz	LAIYUFISCNEKGF-DOMZBBRYSA-N	0	3	302.378	2.916	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369532382	427992557	/nfs/dbraw/zinc/99/25/57/427992557.db2.gz	SQVWKUKMYZLDEK-ZFWWWQNUSA-N	0	3	307.463	2.958	20	30		DFEDHN
CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)o2)C1	ZINC000340163776	427942054	/nfs/dbraw/zinc/94/20/54/427942054.db2.gz	TYYRJIDKDQLGML-CYBMUJFWSA-N	0	3	303.406	2.782	20	30		DFEDHN
COc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1C#N	ZINC000340197164	427953832	/nfs/dbraw/zinc/95/38/32/427953832.db2.gz	QIWKWTHKQNQJTL-GOSISDBHSA-N	0	3	300.402	2.959	20	30		DFEDHN
COc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000341222887	428020976	/nfs/dbraw/zinc/02/09/76/428020976.db2.gz	SZUMEYKYPDXSGB-SUNYJGFJSA-N	0	3	317.433	2.789	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000369648119	428024486	/nfs/dbraw/zinc/02/44/86/428024486.db2.gz	NMGOVQCQZHMMRB-RCCFBDPRSA-N	0	3	320.477	2.835	20	30		DFEDHN
N#Cc1csc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)c1	ZINC000359819496	428030560	/nfs/dbraw/zinc/03/05/60/428030560.db2.gz	RNJHZOVQBAQOFJ-CYBMUJFWSA-N	0	3	322.380	2.839	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1cc(Br)ccc1F	ZINC000341276389	428032823	/nfs/dbraw/zinc/03/28/23/428032823.db2.gz	ZRPDBPXMXGISDN-SNVBAGLBSA-N	0	3	302.187	2.862	20	30		DFEDHN
CC(C)CN1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000341384826	428056292	/nfs/dbraw/zinc/05/62/92/428056292.db2.gz	RKKRHWQOMLZDBN-UHFFFAOYSA-N	0	3	317.824	2.637	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)OC	ZINC000359746241	428002158	/nfs/dbraw/zinc/00/21/58/428002158.db2.gz	JVZZYLKSYSKVIS-AWEZNQCLSA-N	0	3	324.494	2.620	20	30		DFEDHN
C[C@@H](CC(F)F)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000413261843	428005019	/nfs/dbraw/zinc/00/50/19/428005019.db2.gz	JKQLVHLPSQBQOU-ZDUSSCGKSA-N	0	3	323.387	2.740	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000413278343	428008937	/nfs/dbraw/zinc/00/89/37/428008937.db2.gz	FJMOPBUTDDHDDV-DLBZAZTESA-N	0	3	313.445	2.710	20	30		DFEDHN
COC(=O)[C@H](C)CN(C)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000356083753	428014627	/nfs/dbraw/zinc/01/46/27/428014627.db2.gz	JWRSOXYQDKWWCI-SNVBAGLBSA-N	0	3	314.307	2.818	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000359786707	428018747	/nfs/dbraw/zinc/01/87/47/428018747.db2.gz	FZPRALNQTVNPOQ-QGZVFWFLSA-N	0	3	311.360	2.730	20	30		DFEDHN
C=CCC1(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CCC1	ZINC000359901092	428068179	/nfs/dbraw/zinc/06/81/79/428068179.db2.gz	NYQBVUNRXIUPBW-GJZGRUSLSA-N	0	3	308.491	2.771	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000369824001	428071065	/nfs/dbraw/zinc/07/10/65/428071065.db2.gz	XNPPNMYMPXQUQF-DLBZAZTESA-N	0	3	301.434	2.822	20	30		DFEDHN
CCc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1	ZINC000359925293	428078196	/nfs/dbraw/zinc/07/81/96/428078196.db2.gz	RCYXTLUEYISUSK-AWEZNQCLSA-N	0	3	310.313	2.798	20	30		DFEDHN
C=CCOc1cccnc1C(=O)N[C@H](C)CN1CCCCCC1	ZINC000356243410	428085053	/nfs/dbraw/zinc/08/50/53/428085053.db2.gz	GWLURXDENWAZBP-OAHLLOKOSA-N	0	3	317.433	2.641	20	30		DFEDHN
COc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1C#N	ZINC000369947643	428094957	/nfs/dbraw/zinc/09/49/57/428094957.db2.gz	HFRZQFKHWUPJSA-INIZCTEOSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC([C@H]3CCOC3)CC2)c1	ZINC000369948918	428095885	/nfs/dbraw/zinc/09/58/85/428095885.db2.gz	SEVIQCUNZNGODR-KRWDZBQOSA-N	0	3	300.402	2.686	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccc(OC)cn1)C(C)C	ZINC000359980967	428103139	/nfs/dbraw/zinc/10/31/39/428103139.db2.gz	IZFMCSRACKWTGY-QGZVFWFLSA-N	0	3	317.433	2.519	20	30		DFEDHN
Cc1noc([C@H]2CCN(CCCOc3cccc(C#N)c3)C2)n1	ZINC000346281704	428106370	/nfs/dbraw/zinc/10/63/70/428106370.db2.gz	XUOSUBCJPAEMMT-HNNXBMFYSA-N	0	3	312.373	2.508	20	30		DFEDHN
CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(C#N)o1	ZINC000341408047	428065743	/nfs/dbraw/zinc/06/57/43/428065743.db2.gz	QLELLSTXRFPFQV-MRXNPFEDSA-N	0	3	323.396	2.745	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@@H]2CCCc3ccccc32)C(N)=O)cc1	ZINC000360059809	428139382	/nfs/dbraw/zinc/13/93/82/428139382.db2.gz	JLXJWGWVXLNIKZ-HKUYNNGSSA-N	0	3	319.408	2.794	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCN(C)[C@H]2C1	ZINC000413823489	428142401	/nfs/dbraw/zinc/14/24/01/428142401.db2.gz	AKBGFLXEDWLUHI-KURKYZTESA-N	0	3	313.445	2.519	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC[C@H](c3ncc[nH]3)C2)cc1	ZINC000370167668	428150856	/nfs/dbraw/zinc/15/08/56/428150856.db2.gz	SOWHINIXFHSMLU-INIZCTEOSA-N	0	3	310.401	2.930	20	30		DFEDHN
CNC(=O)c1ccc([C@@H]2CCCCN2CCCCC#N)n1C	ZINC000370174702	428152481	/nfs/dbraw/zinc/15/24/81/428152481.db2.gz	RGWWPCHAQGFHNK-HNNXBMFYSA-N	0	3	302.422	2.606	20	30		DFEDHN
N#Cc1cnccc1NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000370193856	428154985	/nfs/dbraw/zinc/15/49/85/428154985.db2.gz	LWTDFEJOICTDOC-KRWDZBQOSA-N	0	3	306.413	2.699	20	30		DFEDHN
Cn1ccnc1[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000341710005	428165017	/nfs/dbraw/zinc/16/50/17/428165017.db2.gz	VPCHQAFPQSZMEP-IAGOWNOFSA-N	0	3	322.412	2.760	20	30		DFEDHN
C[C@@H]1C[C@H](CNC(=O)C(C#N)CCc2ccccc2)[C@H](C)O1	ZINC000413979683	428178186	/nfs/dbraw/zinc/17/81/86/428178186.db2.gz	IXYUKEQIKKFNPF-YALNPMBYSA-N	0	3	300.402	2.689	20	30		DFEDHN
Cc1cc(C#N)cc(NCCCN2CCc3ccccc3C2)n1	ZINC000341744795	428178438	/nfs/dbraw/zinc/17/84/38/428178438.db2.gz	PSBACSGJOIMQOG-UHFFFAOYSA-N	0	3	306.413	3.122	20	30		DFEDHN
C[C@@H](NCC(C)(C)CC#N)c1cccc(NS(C)(=O)=O)c1	ZINC000414173981	428225245	/nfs/dbraw/zinc/22/52/45/428225245.db2.gz	XOLXUXUUCUJQHC-GFCCVEGCSA-N	0	3	309.435	2.649	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)Cc1c(F)cccc1C#N	ZINC000352828361	428269327	/nfs/dbraw/zinc/26/93/27/428269327.db2.gz	YLDODSNJWQUGHP-OAHLLOKOSA-N	0	3	317.408	2.621	20	30		DFEDHN
CN(C)CCN(C(=O)Cc1c(F)cccc1C#N)C1CCCC1	ZINC000352846008	428276551	/nfs/dbraw/zinc/27/65/51/428276551.db2.gz	ZSQNGYTXTYYFCR-UHFFFAOYSA-N	0	3	317.408	2.573	20	30		DFEDHN
CC(C)(C#N)CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000370601688	428250266	/nfs/dbraw/zinc/25/02/66/428250266.db2.gz	KQVSKVKQCJKYIG-DLBZAZTESA-N	0	3	311.429	2.659	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](Cc2ccncc2)C1	ZINC000360341076	428257981	/nfs/dbraw/zinc/25/79/81/428257981.db2.gz	CPLWYDUHHSLYKE-KRWDZBQOSA-N	0	3	307.397	2.897	20	30		DFEDHN
Cn1cc(CN[C@H]2C[C@@H]2C(F)F)c(-c2ccc(C#N)cc2)n1	ZINC000342219701	428355646	/nfs/dbraw/zinc/35/56/46/428355646.db2.gz	JLIUZSQUZKIMKH-KBPBESRZSA-N	0	3	302.328	2.702	20	30		DFEDHN
C=CCN(C(=O)c1cc(C)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371584808	428398498	/nfs/dbraw/zinc/39/84/98/428398498.db2.gz	CPUQBTSUFUURBA-KRWDZBQOSA-N	0	3	324.428	2.621	20	30		DFEDHN
C=CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371584808	428398501	/nfs/dbraw/zinc/39/85/01/428398501.db2.gz	CPUQBTSUFUURBA-KRWDZBQOSA-N	0	3	324.428	2.621	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([C@@H]2CCCOC2)CC1	ZINC000371637776	428398550	/nfs/dbraw/zinc/39/85/50/428398550.db2.gz	LJVDYEYRFABEDQ-SJLPKXTDSA-N	0	3	320.477	2.714	20	30		DFEDHN
CN1CCN(Cc2ccc(Br)cc2C#N)C(C)(C)C1	ZINC000347002823	428403385	/nfs/dbraw/zinc/40/33/85/428403385.db2.gz	DKFHYVOAJJGXSW-UHFFFAOYSA-N	0	3	322.250	2.847	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@]2(CNC(=O)C2)C1	ZINC000342344266	428410786	/nfs/dbraw/zinc/41/07/86/428410786.db2.gz	HOECJPJSUOKXGG-IBGZPJMESA-N	0	3	311.429	2.590	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cnc2ccc(C#N)cn12	ZINC000378337878	428369155	/nfs/dbraw/zinc/36/91/55/428369155.db2.gz	BJWZWJXIYOGYRU-SJORKVTESA-N	0	3	323.444	2.655	20	30		DFEDHN
CCc1ccc(-c2ccc(CNCCn3cnc(C#N)n3)o2)cc1	ZINC000353051503	428369411	/nfs/dbraw/zinc/36/94/11/428369411.db2.gz	YFGPTPVHLICEPJ-UHFFFAOYSA-N	0	3	321.384	2.762	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@]2(C1)CCCOC2	ZINC000357086159	428381306	/nfs/dbraw/zinc/38/13/06/428381306.db2.gz	DBPLUPOOENMQLG-PKOBYXMFSA-N	0	3	312.413	2.788	20	30		DFEDHN
C=C(Br)CN(C)C1CCN(Cc2ccncc2)CC1	ZINC000372376409	428435776	/nfs/dbraw/zinc/43/57/76/428435776.db2.gz	ZOPYAGFFNZYXNK-UHFFFAOYSA-N	0	3	324.266	2.886	20	30		DFEDHN
CCCCNC(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1	ZINC000342712512	428440429	/nfs/dbraw/zinc/44/04/29/428440429.db2.gz	SHBWLYXHPFSLOD-SFHVURJKSA-N	0	3	313.445	2.881	20	30		DFEDHN
CCCN(CCN(C)C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000353233222	428442158	/nfs/dbraw/zinc/44/21/58/428442158.db2.gz	WBPVBVRCFUMAOR-UHFFFAOYSA-N	0	3	317.408	2.529	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccccc2Cl)CCOCC1	ZINC000347101198	428444891	/nfs/dbraw/zinc/44/48/91/428444891.db2.gz	GWBRBFDUSSDAES-LBPRGKRZSA-N	0	3	306.793	2.664	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000360799979	428445016	/nfs/dbraw/zinc/44/50/16/428445016.db2.gz	UUMGLGQPBABRAK-GXFFZTMASA-N	0	3	312.291	2.765	20	30		DFEDHN
COc1cccc(CNC(=O)C(C)C#N)c1OC1CCCC1	ZINC000347099455	428445274	/nfs/dbraw/zinc/44/52/74/428445274.db2.gz	DMOCCMNKQWGDEL-LBPRGKRZSA-N	0	3	302.374	2.792	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000347106513	428447733	/nfs/dbraw/zinc/44/77/33/428447733.db2.gz	LUSHDAKWTIVECC-QWHCGFSZSA-N	0	3	322.368	2.671	20	30		DFEDHN
CN(C)CCN(Cc1cnc2ccc(C#N)cn12)C1CCCC1	ZINC000342774880	428450660	/nfs/dbraw/zinc/45/06/60/428450660.db2.gz	IQKUBFDOGFAJEX-UHFFFAOYSA-N	0	3	311.433	2.512	20	30		DFEDHN
C=CCOCCNC[C@@H](O)COc1c(Cl)cccc1Cl	ZINC000380396676	428454594	/nfs/dbraw/zinc/45/45/94/428454594.db2.gz	CFVXTHKDMLBRCL-LLVKDONJSA-N	0	3	320.216	2.525	20	30		DFEDHN
CNC(=O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1	ZINC000353259516	428455298	/nfs/dbraw/zinc/45/52/98/428455298.db2.gz	ANYZOCDQGKMURG-SFHVURJKSA-N	0	3	305.381	2.695	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000353270898	428461016	/nfs/dbraw/zinc/46/10/16/428461016.db2.gz	FOOHJCQDQIMYGX-OAHLLOKOSA-N	0	3	305.422	2.504	20	30		DFEDHN
CN1CCC[C@@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1=O	ZINC000372548290	428461342	/nfs/dbraw/zinc/46/13/42/428461342.db2.gz	RJGPKKSGVZPMJR-SFHVURJKSA-N	0	3	316.832	2.636	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CCOCC)[C@H](C)C2)cc1	ZINC000353361832	428504244	/nfs/dbraw/zinc/50/42/44/428504244.db2.gz	BOMIRMBCLFEAFY-QGZVFWFLSA-N	0	3	318.461	2.794	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H]([C@H]2CCOC2)C1	ZINC000347288507	428531439	/nfs/dbraw/zinc/53/14/39/428531439.db2.gz	YZQGKEPMUPZMRO-WBVHZDCISA-N	0	3	300.402	2.815	20	30		DFEDHN
Cc1cccc(OC[C@H](O)CN[C@H]2CCc3ccc(C#N)cc32)c1	ZINC000353382487	428513942	/nfs/dbraw/zinc/51/39/42/428513942.db2.gz	HRPLBQRNZAKBTP-XLIONFOSSA-N	0	3	322.408	2.884	20	30		DFEDHN
Cc1nc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1C#N	ZINC000398005151	428514435	/nfs/dbraw/zinc/51/44/35/428514435.db2.gz	YQCLCGHKXPYLQW-KSSFIOAISA-N	0	3	306.413	3.337	20	30		DFEDHN
CN(C)C1(CNC(=O)c2cccc(SCC#N)c2)CCC1	ZINC000353384262	428514674	/nfs/dbraw/zinc/51/46/74/428514674.db2.gz	UDLPYPOFQVOJHP-UHFFFAOYSA-N	0	3	303.431	2.516	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@]2(C)CCCN2Cc2ccccc2)n1	ZINC000398125350	428517381	/nfs/dbraw/zinc/51/73/81/428517381.db2.gz	YOLYVTCCAPHPNP-IBGZPJMESA-N	0	3	321.428	3.123	20	30		DFEDHN
COc1cc(CNC[C@@H]2NCCc3ccccc32)ccc1C#N	ZINC000414963346	428475420	/nfs/dbraw/zinc/47/54/20/428475420.db2.gz	XGXFDYMKUADJHB-SFHVURJKSA-N	0	3	307.397	2.543	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000353549511	428589794	/nfs/dbraw/zinc/58/97/94/428589794.db2.gz	ONSHPUUSBRNANB-UHFFFAOYSA-N	0	3	306.385	2.749	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc(F)c(F)cc1Br	ZINC000343196588	428534821	/nfs/dbraw/zinc/53/48/21/428534821.db2.gz	MGZZIYMQUIABPP-ZCFIWIBFSA-N	0	3	303.106	2.503	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC([C@@H](C)NC(C)=O)CC1	ZINC000361150738	428539984	/nfs/dbraw/zinc/53/99/84/428539984.db2.gz	BHMMKBGDNZILFE-OAHLLOKOSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCc1cc(CN2C[C@H](C)N(C)C[C@H]2C)cc(OC)c1O	ZINC000361152269	428540144	/nfs/dbraw/zinc/54/01/44/428540144.db2.gz	IVEOWXILVGMOPL-UONOGXRCSA-N	0	3	304.434	2.654	20	30		DFEDHN
C=CCOc1cccc(CN2CCC([C@@H](C)NC(C)=O)CC2)c1	ZINC000361155894	428541836	/nfs/dbraw/zinc/54/18/36/428541836.db2.gz	WCHKYTYYBVPDPC-OAHLLOKOSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCOc1ccc(CN2CCC([C@@H](C)NC(C)=O)CC2)cc1	ZINC000361165846	428542606	/nfs/dbraw/zinc/54/26/06/428542606.db2.gz	LADQYTUNRORXIN-OAHLLOKOSA-N	0	3	316.445	2.988	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c1C#N	ZINC000343481131	428549472	/nfs/dbraw/zinc/54/94/72/428549472.db2.gz	SVRIXKPTCLCWJJ-VXGBXAGGSA-N	0	3	306.841	3.447	20	30		DFEDHN
CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)c(C)c1	ZINC000343406323	428549730	/nfs/dbraw/zinc/54/97/30/428549730.db2.gz	UXEVEMSMEXSRNW-DLBZAZTESA-N	0	3	310.401	2.703	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCOC1	ZINC000361236234	428550011	/nfs/dbraw/zinc/55/00/11/428550011.db2.gz	DAIOQNPGHWCQFI-INIZCTEOSA-N	0	3	318.417	2.989	20	30		DFEDHN
Cn1nc2ccccc2c1C(=O)C(C#N)c1nc2ccccc2[nH]1	ZINC000357783670	428563333	/nfs/dbraw/zinc/56/33/33/428563333.db2.gz	YSQQQYOOWZVHEQ-LBPRGKRZSA-N	0	3	315.336	2.940	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccc(CN3CCOCC3)cc2)C1	ZINC000361462992	428570118	/nfs/dbraw/zinc/57/01/18/428570118.db2.gz	DJKAYICKDLGJCN-RBUKOAKNSA-N	0	3	313.445	2.691	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)C(C)C(F)(F)F)cc1	ZINC000361466345	428570829	/nfs/dbraw/zinc/57/08/29/428570829.db2.gz	PZBPQLUCCUILEX-VIFPVBQESA-N	0	3	300.280	2.739	20	30		DFEDHN
N#CC(C(=O)c1cccc(C(N)=O)c1)c1nccc2ccccc21	ZINC000361524317	428573235	/nfs/dbraw/zinc/57/32/35/428573235.db2.gz	KEEIYNNIFFCMGM-MRXNPFEDSA-N	0	3	315.332	2.824	20	30		DFEDHN
N#C[C@H](NC(=O)C12CCCN1CCC2)c1ccc(Cl)cc1	ZINC000415389719	428576244	/nfs/dbraw/zinc/57/62/44/428576244.db2.gz	ZUVQSXVSLJJHAG-AWEZNQCLSA-N	0	3	303.793	2.649	20	30		DFEDHN
CC(C)(C#N)CCCN1CCCN(C(=O)c2ccccn2)CC1	ZINC000361804090	428598154	/nfs/dbraw/zinc/59/81/54/428598154.db2.gz	OGZHTTVXORTXPG-UHFFFAOYSA-N	0	3	314.433	2.559	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(CC)[C@H]1CCOC1)C(C)C	ZINC000361881046	428602584	/nfs/dbraw/zinc/60/25/84/428602584.db2.gz	VDWXDLAQJULIJL-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)CN(C)C	ZINC000358504384	428604249	/nfs/dbraw/zinc/60/42/49/428604249.db2.gz	RJYCUMFOOQJIJJ-HNNXBMFYSA-N	0	3	321.469	2.502	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)CC(F)(F)F)CC1	ZINC000361940619	428604999	/nfs/dbraw/zinc/60/49/99/428604999.db2.gz	RVWHNGJLDVVPCA-LLVKDONJSA-N	0	3	307.360	2.667	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415959443	428634458	/nfs/dbraw/zinc/63/44/58/428634458.db2.gz	ZGLWESLMSJLUPH-LLVKDONJSA-N	0	3	314.311	2.978	20	30		DFEDHN
C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)CN1	ZINC000415786971	428615753	/nfs/dbraw/zinc/61/57/53/428615753.db2.gz	PYFZZZWDJWFZHX-QWRGUYRKSA-N	0	3	306.797	2.620	20	30		DFEDHN
N#CCCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000415902030	428622029	/nfs/dbraw/zinc/62/20/29/428622029.db2.gz	VVVQMEBQINEKRG-UHFFFAOYSA-N	0	3	324.384	2.873	20	30		DFEDHN
CC(C)CC[C@@H](O)CN(C)CCOCc1ccc(C#N)cc1	ZINC000344126872	428624809	/nfs/dbraw/zinc/62/48/09/428624809.db2.gz	YCCYLAGSZQARAL-GOSISDBHSA-N	0	3	304.434	2.804	20	30		DFEDHN
CO[C@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000373648886	428626814	/nfs/dbraw/zinc/62/68/14/428626814.db2.gz	RUUFFVWALSJPEV-DOTOQJQBSA-N	0	3	321.465	2.609	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C	ZINC000347828861	428627073	/nfs/dbraw/zinc/62/70/73/428627073.db2.gz	QDMCZVMLTXTVRD-MFKMUULPSA-N	0	3	313.323	2.584	20	30		DFEDHN
COCCNc1ccc(CNCc2ccc(C#N)s2)cc1	ZINC000344186928	428627359	/nfs/dbraw/zinc/62/73/59/428627359.db2.gz	GCFDFXMMXPEAHZ-UHFFFAOYSA-N	0	3	301.415	2.968	20	30		DFEDHN
COc1cc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)ccc1C#N	ZINC000353623230	428627616	/nfs/dbraw/zinc/62/76/16/428627616.db2.gz	OJBQKDAASQYKMO-LBPRGKRZSA-N	0	3	324.384	2.908	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnccc1C#N)N(C)C	ZINC000362115805	428627949	/nfs/dbraw/zinc/62/79/49/428627949.db2.gz	FOBXRBWQRVBQOP-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1	ZINC000348128207	428638882	/nfs/dbraw/zinc/63/88/82/428638882.db2.gz	XJZRQMKIUBOUIG-ULQDDVLXSA-N	0	3	323.481	2.626	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H](C)[C@H]2CCCOC2)c(C#N)c1C	ZINC000348144944	428641696	/nfs/dbraw/zinc/64/16/96/428641696.db2.gz	RGUYUBSDTJPWNB-YPMHNXCESA-N	0	3	321.446	2.580	20	30		DFEDHN
C[C@@]1(CNc2cnc(C#N)cn2)CCN(Cc2ccccc2)C1	ZINC000373986799	428656675	/nfs/dbraw/zinc/65/66/75/428656675.db2.gz	TZYIJGFKRFRUCS-SFHVURJKSA-N	0	3	307.401	2.672	20	30		DFEDHN
Cc1noc([C@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1	ZINC000374111412	428663600	/nfs/dbraw/zinc/66/36/00/428663600.db2.gz	BOMIDEGOTGILEM-HNNXBMFYSA-N	0	3	318.421	2.658	20	30		DFEDHN
C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CCCCCC1	ZINC000180585390	274370472	/nfs/dbraw/zinc/37/04/72/274370472.db2.gz	MPLKCZXZQXTPQL-OAHLLOKOSA-N	0	3	313.449	2.829	20	30		DFEDHN
CC(C)(NCC(=O)NCc1cccc(C#N)c1)c1cccs1	ZINC000348325684	428707981	/nfs/dbraw/zinc/70/79/81/428707981.db2.gz	RGQNQSJMBBIADI-UHFFFAOYSA-N	0	3	313.426	2.761	20	30		DFEDHN
CC1=C(c2ccco2)CN(CCC(=O)N(C)CCC#N)CC1	ZINC000374618139	428714517	/nfs/dbraw/zinc/71/45/17/428714517.db2.gz	GILZGTVEJAUBRC-UHFFFAOYSA-N	0	3	301.390	2.521	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000362372049	428723747	/nfs/dbraw/zinc/72/37/47/428723747.db2.gz	WUCFIQXAVGNOEP-RHSMWYFYSA-N	0	3	301.434	2.697	20	30		DFEDHN
N#Cc1ccc(N2CCCN(Cc3cccc(O)c3)CC2)cc1	ZINC000362390153	428729256	/nfs/dbraw/zinc/72/92/56/428729256.db2.gz	RXVKNPHMGDYITN-UHFFFAOYSA-N	0	3	307.397	2.976	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NC1(C#N)CCSCC1)c1ccccc1	ZINC000416174295	428683975	/nfs/dbraw/zinc/68/39/75/428683975.db2.gz	CBBPJERLZHMHJZ-HNNXBMFYSA-N	0	3	317.458	2.585	20	30		DFEDHN
C=C(C)Cn1c(N2CCCN(CC)CC2)nnc1C(C)(C)C	ZINC000358812397	428687585	/nfs/dbraw/zinc/68/75/85/428687585.db2.gz	ZJBREBWPQVUMBX-UHFFFAOYSA-N	0	3	305.470	2.684	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)CCc1ccc(C#N)cc1	ZINC000344652877	428691763	/nfs/dbraw/zinc/69/17/63/428691763.db2.gz	IFUDQALGCYHCGZ-QGZVFWFLSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(Br)cc1OC	ZINC000358983713	428758387	/nfs/dbraw/zinc/75/83/87/428758387.db2.gz	CLWWXGRRGZETGP-NSHDSACASA-N	0	3	314.223	2.732	20	30		DFEDHN
N#CC1(CCN(CCO)CCOCC(F)(F)F)CCCCC1	ZINC000411265225	428767883	/nfs/dbraw/zinc/76/78/83/428767883.db2.gz	OGADIJOBTGSYFP-UHFFFAOYSA-N	0	3	322.371	2.724	20	30		DFEDHN
C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)C(=O)Nc1cccc(C#N)c1	ZINC000348529047	428772496	/nfs/dbraw/zinc/77/24/96/428772496.db2.gz	JNCWWTKEARBGPQ-BPNCWPANSA-N	0	3	323.343	2.635	20	30		DFEDHN
C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)CCCC#N	ZINC000374878549	428774017	/nfs/dbraw/zinc/77/40/17/428774017.db2.gz	IAUKLIUVEBJCLM-WMZOPIPTSA-N	0	3	301.434	2.511	20	30		DFEDHN
Cc1cccc(NC(=O)[C@H]2CCCN([C@@H](C)CCC#N)C2)n1	ZINC000411340820	428780510	/nfs/dbraw/zinc/78/05/10/428780510.db2.gz	OTEJWASPAMSSKX-GJZGRUSLSA-N	0	3	300.406	2.733	20	30		DFEDHN
C[C@@H](N[C@H](C)c1ccc2ncsc2c1)C(=O)N(C)CCC#N	ZINC000362560142	428790372	/nfs/dbraw/zinc/79/03/72/428790372.db2.gz	MPEPECZVHIEDHC-VXGBXAGGSA-N	0	3	316.430	2.707	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000363047426	428848502	/nfs/dbraw/zinc/84/85/02/428848502.db2.gz	SQDQVZFMSIVWEY-GJZGRUSLSA-N	0	3	319.474	2.671	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000362702382	428799884	/nfs/dbraw/zinc/79/98/84/428799884.db2.gz	CXENBSDUOFNUKI-AWEZNQCLSA-N	0	3	301.434	2.697	20	30		DFEDHN
C[C@H]1CN(CCC2(C#N)CCCCC2)CCN1CC(C)(C)O	ZINC000411603514	428822463	/nfs/dbraw/zinc/82/24/63/428822463.db2.gz	DWXXZWSPUOMYJT-INIZCTEOSA-N	0	3	307.482	2.628	20	30		DFEDHN
CCCCNC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000362964704	428826640	/nfs/dbraw/zinc/82/66/40/428826640.db2.gz	WOVPNRZVKCXFSX-UHFFFAOYSA-N	0	3	313.445	2.995	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)NCC1(C#N)CCC1	ZINC000417019465	428839729	/nfs/dbraw/zinc/83/97/29/428839729.db2.gz	DQQAUTUAXYBRSF-UHFFFAOYSA-N	0	3	300.406	2.606	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCCC[C@@H]3n3cccn3)n2c1	ZINC000375324592	428857344	/nfs/dbraw/zinc/85/73/44/428857344.db2.gz	ULMDAEXIBYDWLN-SJORKVTESA-N	0	3	320.400	2.676	20	30		DFEDHN
CC(C#N)C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000359193845	428859483	/nfs/dbraw/zinc/85/94/83/428859483.db2.gz	OYIOGSCBYZIAKO-JTQLQIEISA-N	0	3	300.280	2.746	20	30		DFEDHN
COC1([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)CCC1	ZINC000412020910	428910955	/nfs/dbraw/zinc/91/09/55/428910955.db2.gz	KURJQGYLWXBGAB-GFCCVEGCSA-N	0	3	321.446	2.722	20	30		DFEDHN
C=CCOc1cccc(CN2CCO[C@@H]3CCN(CC)C[C@H]32)c1	ZINC000354132390	428877055	/nfs/dbraw/zinc/87/70/55/428877055.db2.gz	WJIANOVWNIQSEW-RTBURBONSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CCOc1cccc(CN2CCO[C@H]3CCN(CC)C[C@@H]32)c1	ZINC000354132388	428877834	/nfs/dbraw/zinc/87/78/34/428877834.db2.gz	WJIANOVWNIQSEW-OALUTQOASA-N	0	3	316.445	2.546	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000363288433	428899652	/nfs/dbraw/zinc/89/96/52/428899652.db2.gz	IOIDPDLPOCKTME-WMZOPIPTSA-N	0	3	313.445	2.610	20	30		DFEDHN
CSCC1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000419235571	428928984	/nfs/dbraw/zinc/92/89/84/428928984.db2.gz	NHWMAWXQBHMUJW-BCLQGDPASA-N	0	3	317.458	2.596	20	30		DFEDHN
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[C@H]1C(C)(C)C	ZINC000419322491	428930854	/nfs/dbraw/zinc/93/08/54/428930854.db2.gz	HMGDYPZTRBAVHP-IIDMSEBBSA-N	0	3	305.466	2.941	20	30		DFEDHN
CCN(CCC#N)C(=O)CNC(C)(C)Cc1ccc(C)cc1	ZINC000419333433	428931088	/nfs/dbraw/zinc/93/10/88/428931088.db2.gz	LUKKPCYKMMJBBM-UHFFFAOYSA-N	0	3	301.434	2.668	20	30		DFEDHN
CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@@H]1C(C)(C)C	ZINC000419331404	428932283	/nfs/dbraw/zinc/93/22/83/428932283.db2.gz	ROXYTUJFYNNKCQ-HOTGVXAUSA-N	0	3	318.465	2.789	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCC1(C#N)CCC1)C(C)C	ZINC000419413222	428934499	/nfs/dbraw/zinc/93/44/99/428934499.db2.gz	DFKZSSKUZSOWPV-INIZCTEOSA-N	0	3	318.465	2.678	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1	ZINC000375662664	428936568	/nfs/dbraw/zinc/93/65/68/428936568.db2.gz	ZQNMVQZQMDHPIP-CQSZACIVSA-N	0	3	317.820	2.912	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCCN1C	ZINC000420862558	428971614	/nfs/dbraw/zinc/97/16/14/428971614.db2.gz	QOZOYQYCRAGYKT-ROUUACIJSA-N	0	3	315.461	2.909	20	30		DFEDHN
C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)NC1(C#N)CCC1	ZINC000412089281	428950395	/nfs/dbraw/zinc/95/03/95/428950395.db2.gz	YHHSGDLJOPISEO-MJBXVCDLSA-N	0	3	321.465	2.509	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)s1)Cc1ccccn1	ZINC000349320822	428961038	/nfs/dbraw/zinc/96/10/38/428961038.db2.gz	VXOLFNAEXGTBNT-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
C[C@@H](CNC(=O)NCc1ccc(C#N)s1)N1CCCC[C@H]1C	ZINC000420815093	428963897	/nfs/dbraw/zinc/96/38/97/428963897.db2.gz	ZUIYAOHFDXEMNQ-OLZOCXBDSA-N	0	3	320.462	2.682	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](C)[C@@H](O)C2)ccc1OC	ZINC000349346220	428965730	/nfs/dbraw/zinc/96/57/30/428965730.db2.gz	JTKDYXCHBGWTPC-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412153777	428966546	/nfs/dbraw/zinc/96/65/46/428966546.db2.gz	GUIISFSGJJHBCF-FGTMMUONSA-N	0	3	311.429	2.604	20	30		DFEDHN
COC1(CCNC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000354992746	429021759	/nfs/dbraw/zinc/02/17/59/429021759.db2.gz	FNHJDRMFOPAWGN-MRXNPFEDSA-N	0	3	300.402	2.834	20	30		DFEDHN
C[C@H](NC(=O)NCC(C)(C)C#N)[C@H](c1ccccc1)N(C)C	ZINC000355088317	429027031	/nfs/dbraw/zinc/02/70/31/429027031.db2.gz	UWUHWCHMKHCDOY-DZGCQCFKSA-N	0	3	302.422	2.527	20	30		DFEDHN
C=CCOc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1	ZINC000355095735	429028447	/nfs/dbraw/zinc/02/84/47/429028447.db2.gz	CBVDAKRIFUCKKD-SJORKVTESA-N	0	3	305.443	2.958	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)N1C	ZINC000354453266	428984741	/nfs/dbraw/zinc/98/47/41/428984741.db2.gz	VAIKPAZYGXDNCQ-IYBDPMFKSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCN1CCC(N[C@@H](c2ccccc2)c2cncnc2)CC1	ZINC000349456615	428991306	/nfs/dbraw/zinc/99/13/06/428991306.db2.gz	NQMGMICVSARCBI-IBGZPJMESA-N	0	3	308.429	2.806	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)C1	ZINC000354590523	428998427	/nfs/dbraw/zinc/99/84/27/428998427.db2.gz	DUCKOLIQWSHCEU-FUHWJXTLSA-N	0	3	313.445	2.922	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000354687167	429004325	/nfs/dbraw/zinc/00/43/25/429004325.db2.gz	DMSWQJZQFIEXGS-MRXNPFEDSA-N	0	3	302.418	2.964	20	30		DFEDHN
CC(C)(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1	ZINC000376284162	429090358	/nfs/dbraw/zinc/09/03/58/429090358.db2.gz	YGDWDWPQHDWPPT-SJORKVTESA-N	0	3	311.429	2.802	20	30		DFEDHN
C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424113392	429093189	/nfs/dbraw/zinc/09/31/89/429093189.db2.gz	NOCVUECXEICUTL-ZBFHGGJFSA-N	0	3	301.434	2.880	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@@H](CSc2ccccc2)C1	ZINC000424117779	429094170	/nfs/dbraw/zinc/09/41/70/429094170.db2.gz	BVJQZSFOISWEGG-ZBFHGGJFSA-N	0	3	317.458	2.648	20	30		DFEDHN
COC1([C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000421862154	429040073	/nfs/dbraw/zinc/04/00/73/429040073.db2.gz	IYOXTIOYNLXCPR-CHWSQXEVSA-N	0	3	306.381	2.932	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCCC[C@@H]1COC	ZINC000452026785	429043040	/nfs/dbraw/zinc/04/30/40/429043040.db2.gz	CLSLQCNLPWFIMN-QZTJIDSGSA-N	0	3	319.445	2.656	20	30		DFEDHN
COC[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)CC1	ZINC000452075737	429049980	/nfs/dbraw/zinc/04/99/80/429049980.db2.gz	DCPGENLONBGTDY-OAHLLOKOSA-N	0	3	318.417	2.694	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000452117691	429061425	/nfs/dbraw/zinc/06/14/25/429061425.db2.gz	FHUMAYOQAXXOGL-KBXCAEBGSA-N	0	3	322.412	2.588	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cccc(N)c1)C(C)C	ZINC000423350526	429070506	/nfs/dbraw/zinc/07/05/06/429070506.db2.gz	XSBCQUHCLIPQKB-GOSISDBHSA-N	0	3	315.461	2.626	20	30		DFEDHN
Cc1coc(-c2ccc(C)c(NC(=O)[C@H](N)CCCC#N)c2)n1	ZINC000424130154	429097202	/nfs/dbraw/zinc/09/72/02/429097202.db2.gz	ZEFRQBHVOARADS-CQSZACIVSA-N	0	3	312.373	2.918	20	30		DFEDHN
C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CCN(C2CC2)C1	ZINC000452166775	429074923	/nfs/dbraw/zinc/07/49/23/429074923.db2.gz	AKOJBMQYSPADFI-OAHLLOKOSA-N	0	3	323.440	2.533	20	30		DFEDHN
C=CCCC(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1OCC	ZINC000412668420	429079735	/nfs/dbraw/zinc/07/97/35/429079735.db2.gz	GROSKLXCCGCBLX-QZTJIDSGSA-N	0	3	316.445	2.606	20	30		DFEDHN
C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000424065921	429085599	/nfs/dbraw/zinc/08/55/99/429085599.db2.gz	MHAAQLUXOLMVFT-GXFFZTMASA-N	0	3	313.323	2.904	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000376262289	429087162	/nfs/dbraw/zinc/08/71/62/429087162.db2.gz	OAJNUFDGMNOXKX-OCCSQVGLSA-N	0	3	300.362	2.529	20	30		DFEDHN
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CCCC#N	ZINC000424070967	429087424	/nfs/dbraw/zinc/08/74/24/429087424.db2.gz	AYXUDBPVRSIZQE-CYBMUJFWSA-N	0	3	314.216	2.973	20	30		DFEDHN
N#Cc1cc(N2CCN(c3ccncc3)CC2)c2ccccc2n1	ZINC000301380343	274920154	/nfs/dbraw/zinc/92/01/54/274920154.db2.gz	ZUPITNPIEAFJBB-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
C=CCC1(C(=O)NCC(C)(C)N2CCCCC2)CCOCC1	ZINC000424541419	429152021	/nfs/dbraw/zinc/15/20/21/429152021.db2.gz	KGBVEMLKUJRVKK-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2)nc1	ZINC000424140633	429098847	/nfs/dbraw/zinc/09/88/47/429098847.db2.gz	BMIIMYIQCOZMOS-INIZCTEOSA-N	0	3	324.384	2.511	20	30		DFEDHN
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@H](N)CCCC#N)C2)c1	ZINC000424186267	429106074	/nfs/dbraw/zinc/10/60/74/429106074.db2.gz	RMKVBDGUYIPYSZ-NVXWUHKLSA-N	0	3	321.371	2.552	20	30		DFEDHN
CCN1CCN(c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000424187708	429106618	/nfs/dbraw/zinc/10/66/18/429106618.db2.gz	BEQWCZIEAPEPOV-FUHWJXTLSA-N	0	3	312.461	2.610	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCN(Cc3ccccc3)CC[C@H]2C)n1	ZINC000376404342	429107733	/nfs/dbraw/zinc/10/77/33/429107733.db2.gz	XOIAPLCDKCUWQW-MRXNPFEDSA-N	0	3	321.428	2.758	20	30		DFEDHN
Cn1ccnc1[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000376430756	429112811	/nfs/dbraw/zinc/11/28/11/429112811.db2.gz	ZFYYEAJOQUDCFF-KRWDZBQOSA-N	0	3	324.428	2.940	20	30		DFEDHN
C=CCn1cc(CNC2CCC(C#N)(c3ccccc3)CC2)nn1	ZINC000424300648	429123602	/nfs/dbraw/zinc/12/36/02/429123602.db2.gz	YIILFHUQKCWMFC-UHFFFAOYSA-N	0	3	321.428	2.958	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C)CC1	ZINC000413049082	429127523	/nfs/dbraw/zinc/12/75/23/429127523.db2.gz	TVFFSSMFILXMIH-QGZVFWFLSA-N	0	3	301.434	2.567	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@@H](OCC3CC3)C2)cc1	ZINC000494645778	429137581	/nfs/dbraw/zinc/13/75/81/429137581.db2.gz	DHCHHNGQVRTFTN-GOSISDBHSA-N	0	3	300.402	2.828	20	30		DFEDHN
COC[C@@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000452790424	429138705	/nfs/dbraw/zinc/13/87/05/429138705.db2.gz	CIAXZXVTZNGTQJ-WMZOPIPTSA-N	0	3	300.402	2.644	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1	ZINC000452856381	429139279	/nfs/dbraw/zinc/13/92/79/429139279.db2.gz	YVUUMXQMDCCFDI-CMPLNLGQSA-N	0	3	307.191	2.925	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CCOCC1	ZINC000424590740	429161110	/nfs/dbraw/zinc/16/11/10/429161110.db2.gz	ZHCXDOGJJZPDMM-HZPDHXFCSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1	ZINC000454328441	429163808	/nfs/dbraw/zinc/16/38/08/429163808.db2.gz	RMIHHYWRULUSBO-CVEARBPZSA-N	0	3	303.406	2.603	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000454472490	429167403	/nfs/dbraw/zinc/16/74/03/429167403.db2.gz	ABAUHHLUQUYTRP-FZKCQIBNSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=CC(C)(C)CNC(=O)Nc1cccc(OCCN(C)C)c1	ZINC000454477389	429167564	/nfs/dbraw/zinc/16/75/64/429167564.db2.gz	HZSFQGOXQPCYHG-UHFFFAOYSA-N	0	3	305.422	2.961	20	30		DFEDHN
CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(C#N)c(C)c1)CC2	ZINC000488413797	429179834	/nfs/dbraw/zinc/17/98/34/429179834.db2.gz	ZWZXXUAZANMPOE-ROUUACIJSA-N	0	3	314.429	2.619	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455412360	429187539	/nfs/dbraw/zinc/18/75/39/429187539.db2.gz	BXYYWFKBQRGJFN-UHFFFAOYSA-N	0	3	313.445	2.681	20	30		DFEDHN
C=C(CC)CN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000495219054	429187997	/nfs/dbraw/zinc/18/79/97/429187997.db2.gz	DXKUGYAVVWDPHX-GJZGRUSLSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000455521303	429190220	/nfs/dbraw/zinc/19/02/20/429190220.db2.gz	KLMKLRVETXGSFC-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000424829932	429196424	/nfs/dbraw/zinc/19/64/24/429196424.db2.gz	KUPNGHGWCJYZMY-INIZCTEOSA-N	0	3	302.418	2.794	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H](C)C1	ZINC000488736423	429192690	/nfs/dbraw/zinc/19/26/90/429192690.db2.gz	PYZJKLYMMNHAFH-IYOUNJFTSA-N	0	3	310.445	2.608	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C	ZINC000455776285	429210877	/nfs/dbraw/zinc/21/08/77/429210877.db2.gz	DZTIKGMVOCAIMO-ZYHUDNBSSA-N	0	3	321.812	2.553	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN(Cc2ccccn2)C2CC2)c1	ZINC000438782061	429213409	/nfs/dbraw/zinc/21/34/09/429213409.db2.gz	BDCDNOBNZUEQFD-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2cc(C#N)ccc2F)C1	ZINC000495482881	429214126	/nfs/dbraw/zinc/21/41/26/429214126.db2.gz	YUJUUZUOFMAUCN-JSGCOSHPSA-N	0	3	319.380	2.654	20	30		DFEDHN
C=CCOCCCN1CCc2c(cccc2N2CCOC2=O)C1	ZINC000495510642	429216799	/nfs/dbraw/zinc/21/67/99/429216799.db2.gz	LDYDDYVJQXNESM-UHFFFAOYSA-N	0	3	316.401	2.594	20	30		DFEDHN
C=CCn1cccc1C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000489066028	429217707	/nfs/dbraw/zinc/21/77/07/429217707.db2.gz	DQABELGMPJOWES-QGZVFWFLSA-N	0	3	311.429	2.577	20	30		DFEDHN
COc1cc(CNCCSCC(F)(F)F)ccc1C#N	ZINC000440637521	429226236	/nfs/dbraw/zinc/22/62/36/429226236.db2.gz	MEXZANRSXFFVPQ-UHFFFAOYSA-N	0	3	304.337	2.952	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@H](O)Cc2ccccc2)ccc1C#N	ZINC000440633347	429226661	/nfs/dbraw/zinc/22/66/61/429226661.db2.gz	DWCVQIWTWMHODI-KBXCAEBGSA-N	0	3	310.397	2.649	20	30		DFEDHN
CN1CCN(CCNc2ccc(Cl)cc2C#N)CC1(C)C	ZINC000440653183	429227170	/nfs/dbraw/zinc/22/71/70/429227170.db2.gz	OPBRESKRRJOFGB-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
COc1cc(CNCCc2ccccc2[N+](=O)[O-])ccc1C#N	ZINC000440815172	429228378	/nfs/dbraw/zinc/22/83/78/429228378.db2.gz	SJTUVUPNISFVGL-UHFFFAOYSA-N	0	3	311.341	2.807	20	30		DFEDHN
C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC[C@@H](C)C1	ZINC000440998955	429229115	/nfs/dbraw/zinc/22/91/15/429229115.db2.gz	NYAKSYHXOHINIC-NUWOQIAWSA-N	0	3	320.481	2.736	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1CCC(C#N)CC1	ZINC000441035977	429230021	/nfs/dbraw/zinc/23/00/21/429230021.db2.gz	QDVCTDLYOYMISH-NUWOQIAWSA-N	0	3	320.481	2.736	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000488772698	429196844	/nfs/dbraw/zinc/19/68/44/429196844.db2.gz	ZWSXHWDWAQSJAR-PMUMKWKESA-N	0	3	311.429	2.927	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1noc(C)c1C)C(C)C	ZINC000455680400	429197878	/nfs/dbraw/zinc/19/78/78/429197878.db2.gz	BUANYCDFBJIHEV-OAHLLOKOSA-N	0	3	320.437	3.112	20	30		DFEDHN
C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCOCC1	ZINC000424834891	429198230	/nfs/dbraw/zinc/19/82/30/429198230.db2.gz	ARZUMMWIIDYFEP-BRWVUGGUSA-N	0	3	320.477	2.548	20	30		DFEDHN
CC(C)[C@H]1CN(C)CCN1CCCOc1cccc(C#N)c1	ZINC000436486064	429199842	/nfs/dbraw/zinc/19/98/42/429199842.db2.gz	QFTMJLWBMNZLKL-GOSISDBHSA-N	0	3	301.434	2.599	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)c(Cl)c1	ZINC000455700370	429200564	/nfs/dbraw/zinc/20/05/64/429200564.db2.gz	IEOMFMKCLMFTJZ-ZDUSSCGKSA-N	0	3	318.808	2.718	20	30		DFEDHN
C[C@@H](Cn1cccn1)NCc1ccc(C#N)cc1OC(F)F	ZINC000437151428	429203637	/nfs/dbraw/zinc/20/36/37/429203637.db2.gz	GCNRZYUUNBZVLK-NSHDSACASA-N	0	3	306.316	2.534	20	30		DFEDHN
C=C[C@H]1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2	ZINC000489408968	429237444	/nfs/dbraw/zinc/23/74/44/429237444.db2.gz	RYQGTTJXYMDWNJ-AWEZNQCLSA-N	0	3	302.374	2.784	20	30		DFEDHN
C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCCO1	ZINC000364651555	429242695	/nfs/dbraw/zinc/24/26/95/429242695.db2.gz	QKZKVZSDEIUUIZ-CXAGYDPISA-N	0	3	310.401	2.616	20	30		DFEDHN
COC(=O)[C@](C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000443066985	429244328	/nfs/dbraw/zinc/24/43/28/429244328.db2.gz	KPTOQYDCQOTOJY-ISTRZQFTSA-N	0	3	304.365	2.538	20	30		DFEDHN
C[C@@H](NCCOCCO)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000364688966	429249514	/nfs/dbraw/zinc/24/95/14/429249514.db2.gz	VHSWJXZPYIOVHQ-OAHLLOKOSA-N	0	3	310.397	2.885	20	30		DFEDHN
C[C@H](NCCOCCO)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000364688965	429250164	/nfs/dbraw/zinc/25/01/64/429250164.db2.gz	VHSWJXZPYIOVHQ-HNNXBMFYSA-N	0	3	310.397	2.885	20	30		DFEDHN
C#CCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000495707179	429250285	/nfs/dbraw/zinc/25/02/85/429250285.db2.gz	PSFAHQPBDGIMBZ-QGZVFWFLSA-N	0	3	300.402	2.648	20	30		DFEDHN
CN(CCCN(C)c1ncc2c(c1C#N)CCC2)Cc1ccco1	ZINC000425254616	429252587	/nfs/dbraw/zinc/25/25/87/429252587.db2.gz	NXBRXVYIYVPVBF-UHFFFAOYSA-N	0	3	324.428	2.993	20	30		DFEDHN
C=CCn1cc(CNc2ccnc3ccc(OC(C)C)cc32)nn1	ZINC000425261201	429253731	/nfs/dbraw/zinc/25/37/31/429253731.db2.gz	CRZASKSDULYUSW-UHFFFAOYSA-N	0	3	323.400	2.834	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1	ZINC000495727632	429254485	/nfs/dbraw/zinc/25/44/85/429254485.db2.gz	JZZXSRUBRYYTJV-KKUMJFAQSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCOCCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000495726509	429254663	/nfs/dbraw/zinc/25/46/63/429254663.db2.gz	HKZJEMLHPAYUFL-OAHLLOKOSA-N	0	3	312.454	2.768	20	30		DFEDHN
Cc1cc(CNCCOc2ccc3c(c2)OCO3)ccc1C#N	ZINC000443970886	429259602	/nfs/dbraw/zinc/25/96/02/429259602.db2.gz	JLBWEANPMXWSRC-UHFFFAOYSA-N	0	3	310.353	2.764	20	30		DFEDHN
C=CCOc1ccc(CN(C[C@H]2CNC(=O)O2)C(C)(C)C)cc1	ZINC000495784921	429266660	/nfs/dbraw/zinc/26/66/60/429266660.db2.gz	HEPTYKPBFFNSTJ-MRXNPFEDSA-N	0	3	318.417	2.960	20	30		DFEDHN
CCn1ccnc1[C@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000456344269	429282079	/nfs/dbraw/zinc/28/20/79/429282079.db2.gz	FQWVTVRPOZFZRY-HOCLYGCPSA-N	0	3	310.401	2.853	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCc1ccco1	ZINC000425536619	429318072	/nfs/dbraw/zinc/31/80/72/429318072.db2.gz	IXTNVMNUDTUEKS-RHSMWYFYSA-N	0	3	314.385	2.722	20	30		DFEDHN
C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000448831374	429318531	/nfs/dbraw/zinc/31/85/31/429318531.db2.gz	QRJNZONORHYZRQ-CPUCHLNUSA-N	0	3	317.458	2.626	20	30		DFEDHN
CNC(=O)COc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1	ZINC000507272606	429347511	/nfs/dbraw/zinc/34/75/11/429347511.db2.gz	MHDMXYDTZKVDKC-AWEZNQCLSA-N	0	3	323.396	2.534	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)CC2	ZINC000365487235	429327595	/nfs/dbraw/zinc/32/75/95/429327595.db2.gz	BZALIOHSBACOLL-HOTGVXAUSA-N	0	3	309.417	2.768	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(C)C	ZINC000425646157	429332955	/nfs/dbraw/zinc/33/29/55/429332955.db2.gz	BERDKRCEPIHUNE-YVSFHVDLSA-N	0	3	305.466	2.783	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425662461	429335573	/nfs/dbraw/zinc/33/55/73/429335573.db2.gz	INCKCINLDXYLCS-DZGCQCFKSA-N	0	3	300.406	2.604	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000491243800	429339499	/nfs/dbraw/zinc/33/94/99/429339499.db2.gz	ZKTAGRULGNJBJJ-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCc3sc(Cl)cc32)CC1	ZINC000491278197	429343402	/nfs/dbraw/zinc/34/34/02/429343402.db2.gz	RTZCTKWGGYIILH-ZDUSSCGKSA-N	0	3	322.861	2.850	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000449156642	429345441	/nfs/dbraw/zinc/34/54/41/429345441.db2.gz	SVXDWKAFZHKLSN-ZBFHGGJFSA-N	0	3	304.438	2.640	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cnc(C2CC2)o1	ZINC000456756845	429346376	/nfs/dbraw/zinc/34/63/76/429346376.db2.gz	FCKQOMFHLYMKOV-HNNXBMFYSA-N	0	3	309.369	2.941	20	30		DFEDHN
N#Cc1cccc(OCCN[C@H]2c3ccccc3CC[C@H]2CO)c1	ZINC000365266165	429290351	/nfs/dbraw/zinc/29/03/51/429290351.db2.gz	LUFQQTIZKYHEQJ-FXAWDEMLSA-N	0	3	322.408	2.823	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccco1	ZINC000425781303	429346468	/nfs/dbraw/zinc/34/64/68/429346468.db2.gz	FCLIEUMCTFOWFR-XQLPTFJDSA-N	0	3	318.421	2.700	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2csc3ccccc23)CC1	ZINC000490590135	429294121	/nfs/dbraw/zinc/29/41/21/429294121.db2.gz	PEEQNNMCUZYLRI-UHFFFAOYSA-N	0	3	312.438	2.863	20	30		DFEDHN
C#CCN(C(=O)NC1CCN(CC=C)CC1)C1CCCCC1	ZINC000490630763	429296948	/nfs/dbraw/zinc/29/69/48/429296948.db2.gz	SAPSAOAAZJSOIP-UHFFFAOYSA-N	0	3	303.450	2.614	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000446591204	429298847	/nfs/dbraw/zinc/29/88/47/429298847.db2.gz	RHGAREOQEJTHHB-GOEBONIOSA-N	0	3	300.406	2.604	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425457783	429302008	/nfs/dbraw/zinc/30/20/08/429302008.db2.gz	ZBRAOKOSKOJKEX-BPQIPLTHSA-N	0	3	313.445	2.867	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000447960013	429309642	/nfs/dbraw/zinc/30/96/42/429309642.db2.gz	VKNSHHMAXFGZQC-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCC[C@H](C)C2)cc1	ZINC000448712250	429316004	/nfs/dbraw/zinc/31/60/04/429316004.db2.gz	XXBCYQRLHGACCO-INIZCTEOSA-N	0	3	316.445	2.642	20	30		DFEDHN
Cc1cc(CNC2CCC(C)(C#N)CC2)nc(N2CCCC2)n1	ZINC000449337659	429393255	/nfs/dbraw/zinc/39/32/55/429393255.db2.gz	SDFXBBWLWQWGJD-UHFFFAOYSA-N	0	3	313.449	2.947	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000491730824	429398748	/nfs/dbraw/zinc/39/87/48/429398748.db2.gz	IACBRHSRUPISTD-WMZOPIPTSA-N	0	3	313.445	2.795	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491742441	429400155	/nfs/dbraw/zinc/40/01/55/429400155.db2.gz	QDQJXOZXBSCWGP-GDBMZVCRSA-N	0	3	302.393	2.518	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](c1ccccc1)c1ccc(F)cc1	ZINC000491745075	429401630	/nfs/dbraw/zinc/40/16/30/429401630.db2.gz	MVHMGYBTPJJCDO-IBGZPJMESA-N	0	3	310.372	2.644	20	30		DFEDHN
C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000491748045	429402661	/nfs/dbraw/zinc/40/26/61/429402661.db2.gz	XGTUFRKGYHTRHU-KBAYOESNSA-N	0	3	313.445	2.608	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2cccc(CC)c2)CC1	ZINC000517983936	429407074	/nfs/dbraw/zinc/40/70/74/429407074.db2.gz	BWGXVVOYKSOQEQ-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
COc1ccc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1C#N	ZINC000517957211	429407567	/nfs/dbraw/zinc/40/75/67/429407567.db2.gz	OHOATMAKFQZOAU-KRWDZBQOSA-N	0	3	324.428	2.926	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1	ZINC000457119377	429407793	/nfs/dbraw/zinc/40/77/93/429407793.db2.gz	NMFQDDMGRUBVKE-HNNXBMFYSA-N	0	3	302.418	2.806	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1	ZINC000457129127	429408902	/nfs/dbraw/zinc/40/89/02/429408902.db2.gz	STAXKHFVUMJBCN-MRXNPFEDSA-N	0	3	302.418	2.806	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1OC	ZINC000366000345	429409463	/nfs/dbraw/zinc/40/94/63/429409463.db2.gz	LZJQHXQGZLWVQQ-JKSUJKDBSA-N	0	3	303.402	2.871	20	30		DFEDHN
C=CCCOCCNCc1cnc(-c2ccccc2OC)nc1	ZINC000491324628	429348909	/nfs/dbraw/zinc/34/89/09/429348909.db2.gz	ULVLLVQMFQWORG-UHFFFAOYSA-N	0	3	313.401	2.835	20	30		DFEDHN
Cc1nc(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)n[nH]1	ZINC000365994654	429409628	/nfs/dbraw/zinc/40/96/28/429409628.db2.gz	AJXMVLHCFWPEDA-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1n[nH]c(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)n1	ZINC000365994654	429409632	/nfs/dbraw/zinc/40/96/32/429409632.db2.gz	AJXMVLHCFWPEDA-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1nnc(C2CCN(CC#Cc3ccc(Cl)cc3)CC2)[nH]1	ZINC000365994654	429409635	/nfs/dbraw/zinc/40/96/35/429409635.db2.gz	AJXMVLHCFWPEDA-UHFFFAOYSA-N	0	3	314.820	2.998	20	30		DFEDHN
C#CCN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1	ZINC000491382412	429354677	/nfs/dbraw/zinc/35/46/77/429354677.db2.gz	INBIJTMNAPJNBB-GOSISDBHSA-N	0	3	307.397	2.647	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000491546102	429372999	/nfs/dbraw/zinc/37/29/99/429372999.db2.gz	UNEGZXVJCUODRE-OAHLLOKOSA-N	0	3	319.474	2.671	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000515386623	429375835	/nfs/dbraw/zinc/37/58/35/429375835.db2.gz	QVCWMOYTGJBKBF-KSSFIOAISA-N	0	3	303.450	2.649	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000491642649	429383581	/nfs/dbraw/zinc/38/35/81/429383581.db2.gz	XXRSLMZSYGAPPR-NVXWUHKLSA-N	0	3	313.445	2.923	20	30		DFEDHN
CC#CCN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000365835076	429383582	/nfs/dbraw/zinc/38/35/82/429383582.db2.gz	SEZZWHMKTGLVAI-UHFFFAOYSA-N	0	3	300.450	2.832	20	30		DFEDHN
C#C[C@@H](NC1CCN(C(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000491668220	429387857	/nfs/dbraw/zinc/38/78/57/429387857.db2.gz	SJTZVQWKIHFOTB-OAHLLOKOSA-N	0	3	306.793	2.835	20	30		DFEDHN
C[C@H]1CN(Cc2cc(C#N)n(C)c2)CCN(Cc2ccccc2)C1	ZINC000449550910	429447846	/nfs/dbraw/zinc/44/78/46/429447846.db2.gz	CZSAEKNRPNANOF-QGZVFWFLSA-N	0	3	322.456	2.851	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)/C=C\c1ccc(C#N)cc1	ZINC000492061467	429460741	/nfs/dbraw/zinc/46/07/41/429460741.db2.gz	XSYMAFKBVHNDFZ-KTKRTIGZSA-N	0	3	323.396	2.755	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C\c1ccncc1)C(C)C	ZINC000491843742	429419067	/nfs/dbraw/zinc/41/90/67/429419067.db2.gz	JNRRUQLPZGNPGL-JTHGQSKGSA-N	0	3	313.445	2.910	20	30		DFEDHN
C=CCCCS(=O)(=O)N1C[C@@H]2CCCN2Cc2ccccc21	ZINC000427792099	429470438	/nfs/dbraw/zinc/47/04/38/429470438.db2.gz	YXPKOPFNHYUBIG-INIZCTEOSA-N	0	3	320.458	2.767	20	30		DFEDHN
C=CCN(C)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000427953928	429478688	/nfs/dbraw/zinc/47/86/88/429478688.db2.gz	GNDIEPBTRGVKTM-MRXNPFEDSA-N	0	3	300.446	2.974	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1c(C(C)C)nc2sc(C)nn21	ZINC000449701861	429484379	/nfs/dbraw/zinc/48/43/79/429484379.db2.gz	XPCFWXKPLLVEPA-LBPRGKRZSA-N	0	3	308.451	2.639	20	30		DFEDHN
Cc1ccc(NC(=O)c2cc(C)c(C#N)cn2)c(CN(C)C)c1	ZINC000457575086	429489327	/nfs/dbraw/zinc/48/93/27/429489327.db2.gz	OYPRZUFJBMBUCP-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
C[C@@H](CC(=O)N1CCCCCC1)NCc1ccc(C#N)c(F)c1	ZINC000449735233	429491016	/nfs/dbraw/zinc/49/10/16/429491016.db2.gz	GLIHMFOGIUNRCY-AWEZNQCLSA-N	0	3	317.408	2.968	20	30		DFEDHN
CCC(CC)CN(CC)CC(=O)NCc1cccc(C#N)c1	ZINC000520173222	429502272	/nfs/dbraw/zinc/50/22/72/429502272.db2.gz	WJJZUIHHZWAPDH-UHFFFAOYSA-N	0	3	301.434	2.933	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1CS2)C(C)C	ZINC000457759162	429522327	/nfs/dbraw/zinc/52/23/27/429522327.db2.gz	VXROFBFKJMVTMJ-JYJNAYRXSA-N	0	3	323.506	2.584	20	30		DFEDHN
Cc1cc(CNC[C@@H](O)COc2ccc(C#N)cc2)ccc1F	ZINC000520617571	429522946	/nfs/dbraw/zinc/52/29/46/429522946.db2.gz	REMDUIQFMBKWIS-MRXNPFEDSA-N	0	3	314.360	2.535	20	30		DFEDHN
Cc1ccc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428811032	429555108	/nfs/dbraw/zinc/55/51/08/429555108.db2.gz	YYHDOJAJUGKQCS-SFHVURJKSA-N	0	3	307.397	2.958	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000521559495	429557092	/nfs/dbraw/zinc/55/70/92/429557092.db2.gz	DUASVTABZUPSPM-UHFFFAOYSA-N	0	3	300.406	2.896	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000521645988	429560223	/nfs/dbraw/zinc/56/02/23/429560223.db2.gz	SFPYAVRLWOHRBL-GJZGRUSLSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC(C)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000521189617	429542224	/nfs/dbraw/zinc/54/22/24/429542224.db2.gz	KNRKMYJXPRSPLP-LJQANCHMSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H](C)C1	ZINC000492840902	429627677	/nfs/dbraw/zinc/62/76/77/429627677.db2.gz	OFUBBKIFHRCVQD-OMOWZKTISA-N	0	3	323.440	2.760	20	30		DFEDHN
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCNC(=O)CC1	ZINC000450453650	429630151	/nfs/dbraw/zinc/63/01/51/429630151.db2.gz	PXQYJPDCIGNLKH-JQHSSLGASA-N	0	3	311.429	2.674	20	30		DFEDHN
C[C@@H]1CN(CCC2CCN(CC3(C#N)CCC3)CC2)C[C@H](C)O1	ZINC000450476852	429635103	/nfs/dbraw/zinc/63/51/03/429635103.db2.gz	SEZULJIGDWIRBV-CALCHBBNSA-N	0	3	319.493	2.892	20	30		DFEDHN
N#CCC1(CNCc2cc3c(c(Br)c2)OCO3)CC1	ZINC000430034696	429647214	/nfs/dbraw/zinc/64/72/14/429647214.db2.gz	KTWQDYYSOPNASL-UHFFFAOYSA-N	0	3	323.190	2.961	20	30		DFEDHN
C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(C#N)ccc1Br	ZINC000492720129	429600778	/nfs/dbraw/zinc/60/07/78/429600778.db2.gz	GRBIIOSZZAHEBH-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
Cc1cc(C#N)nc(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1	ZINC000367263706	429607483	/nfs/dbraw/zinc/60/74/83/429607483.db2.gz	GLDBTJLLUKHKLY-INIZCTEOSA-N	0	3	321.428	2.758	20	30		DFEDHN
CCN(CC1CCN(C(=O)C(C)C#N)CC1)C(=O)OC(C)(C)C	ZINC000493034866	429673285	/nfs/dbraw/zinc/67/32/85/429673285.db2.gz	IIFSKKCPXXJNTP-ZDUSSCGKSA-N	0	3	323.437	2.642	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H](C[C@H]4CCOC4)C3)n2c1	ZINC000367687346	429699360	/nfs/dbraw/zinc/69/93/60/429699360.db2.gz	QGULKPPXPWSDDO-JKSUJKDBSA-N	0	3	324.428	2.845	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC000459336171	429696342	/nfs/dbraw/zinc/69/63/42/429696342.db2.gz	AEXURUWPZDQDFD-ZFWWWQNUSA-N	0	3	314.389	2.525	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@H]3CCCC[C@H]3C)CC2)c1C#N	ZINC000471809569	429713332	/nfs/dbraw/zinc/71/33/32/429713332.db2.gz	IKLSXBUCYGKRSF-GDBMZVCRSA-N	0	3	315.465	2.549	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1c[nH]c(C#N)c1	ZINC000367772774	429715581	/nfs/dbraw/zinc/71/55/81/429715581.db2.gz	RLFYSPCMERGNBR-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C[C@H](NCC(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000367781700	429716019	/nfs/dbraw/zinc/71/60/19/429716019.db2.gz	CDKQRWCAQREMPB-AWEZNQCLSA-N	0	3	307.397	2.964	20	30		DFEDHN
N#CC1(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CCC1	ZINC000527127699	429726457	/nfs/dbraw/zinc/72/64/57/429726457.db2.gz	SETXAUSSCHVJOZ-QGZVFWFLSA-N	0	3	315.392	2.819	20	30		DFEDHN
CC#CCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000483418572	429733721	/nfs/dbraw/zinc/73/37/21/429733721.db2.gz	OHLWDAIWSXFTLE-SFHVURJKSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000451274939	429801698	/nfs/dbraw/zinc/80/16/98/429801698.db2.gz	XXJFHXYDIIWRGB-RANZSIQMSA-N	0	3	316.445	2.694	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)o1	ZINC000527577660	429763480	/nfs/dbraw/zinc/76/34/80/429763480.db2.gz	KZALTMIIWDNEFQ-GOEBONIOSA-N	0	3	315.417	2.783	20	30		DFEDHN
N#CCCOCCN[C@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451307329	429807513	/nfs/dbraw/zinc/80/75/13/429807513.db2.gz	OCLLTRXJFHCSJM-CQSZACIVSA-N	0	3	316.323	2.649	20	30		DFEDHN
CC1(C)CN(CCCC2(C#N)CCOCC2)[C@@H]1[C@@H]1CCCO1	ZINC000368077738	429781867	/nfs/dbraw/zinc/78/18/67/429781867.db2.gz	YNKCMPOWOBWYJB-JKSUJKDBSA-N	0	3	306.450	2.976	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1	ZINC000527731000	429787529	/nfs/dbraw/zinc/78/75/29/429787529.db2.gz	SVABSUNOVVUDAD-OWCLPIDISA-N	0	3	305.466	2.762	20	30		DFEDHN
C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000493572302	429789208	/nfs/dbraw/zinc/78/92/08/429789208.db2.gz	JZAZYMJGFBEPCC-GOEBONIOSA-N	0	3	310.344	2.800	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1Cl	ZINC000527758188	429794252	/nfs/dbraw/zinc/79/42/52/429794252.db2.gz	MWQCUGUIMPMKCG-HOCLYGCPSA-N	0	3	311.809	2.534	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000451360168	429817442	/nfs/dbraw/zinc/81/74/42/429817442.db2.gz	DZSRSUJLNUALAR-LCWCZVIYSA-N	0	3	315.461	2.573	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000451390460	429820952	/nfs/dbraw/zinc/82/09/52/429820952.db2.gz	DCFNJUUWNCFQOU-NJAFHUGGSA-N	0	3	320.477	2.881	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC000451477122	429832955	/nfs/dbraw/zinc/83/29/55/429832955.db2.gz	HEUATJHGBMAKDH-UAGQMJEPSA-N	0	3	300.402	2.860	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)c2cscc2C#N)C1	ZINC000432882955	429847536	/nfs/dbraw/zinc/84/75/36/429847536.db2.gz	FHLXFSOBRVVXJR-LBPRGKRZSA-N	0	3	305.447	2.860	20	30		DFEDHN
CO[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)CC1(C)C	ZINC000451550736	429852262	/nfs/dbraw/zinc/85/22/62/429852262.db2.gz	JOKOOXSKXQPEIE-CYBMUJFWSA-N	0	3	321.446	2.695	20	30		DFEDHN
N#Cc1nnc2ccccc2c1NC[C@H]1CCN1C1CCCC1	ZINC000528212956	429861032	/nfs/dbraw/zinc/86/10/32/429861032.db2.gz	YXDLUUQKJLGLQW-CQSZACIVSA-N	0	3	307.401	2.930	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@](CO)(C(C)C)C2)cc1	ZINC000368229855	429813311	/nfs/dbraw/zinc/81/33/11/429813311.db2.gz	XMTNXVWOHJDYHY-IBGZPJMESA-N	0	3	301.430	2.929	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)n[nH]1	ZINC000368662816	429883840	/nfs/dbraw/zinc/88/38/40/429883840.db2.gz	KXBCGEVMOQRWGH-MRXNPFEDSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(CCOc3ccc(C#N)cc3)C2)[nH]n1	ZINC000368662816	429883842	/nfs/dbraw/zinc/88/38/42/429883842.db2.gz	KXBCGEVMOQRWGH-MRXNPFEDSA-N	0	3	310.401	2.848	20	30		DFEDHN
Cc1cc(N2CCC[C@@H](NCc3cccc(C#N)c3)C2)nc(C)n1	ZINC000368669891	429884822	/nfs/dbraw/zinc/88/48/22/429884822.db2.gz	BRNMSVCWYYFYBH-GOSISDBHSA-N	0	3	321.428	2.724	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000368673413	429886051	/nfs/dbraw/zinc/88/60/51/429886051.db2.gz	SRORQVKZPGZBBD-CVEARBPZSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC[C@@H]1CN(c2ccccc2)CCN1C[C@H](O)CC1(C#N)CC1	ZINC000528453291	429890393	/nfs/dbraw/zinc/89/03/93/429890393.db2.gz	ZTYFRPBKASVXIZ-SJLPKXTDSA-N	0	3	313.445	2.642	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1	ZINC000528512496	429895571	/nfs/dbraw/zinc/89/55/71/429895571.db2.gz	LVNFPGHWVQTXCP-ZBFHGGJFSA-N	0	3	320.820	2.848	20	30		DFEDHN
CC(C)COCCN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000369198539	429919013	/nfs/dbraw/zinc/91/90/13/429919013.db2.gz	OPJCDIATNNVBAO-UHFFFAOYSA-N	0	3	301.434	2.743	20	30		DFEDHN
N#CC1(c2ccccn2)CCN(C[C@H](O)C2CCCCC2)CC1	ZINC000369208570	429919346	/nfs/dbraw/zinc/91/93/46/429919346.db2.gz	ZCJNPKXRLRQXMZ-KRWDZBQOSA-N	0	3	313.445	2.880	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(c3ccccc3)C2)CC1	ZINC000636740607	429925278	/nfs/dbraw/zinc/92/52/78/429925278.db2.gz	AJNQMKUXRZHAFR-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
COc1cccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CC2)c1	ZINC000528340500	429876168	/nfs/dbraw/zinc/87/61/68/429876168.db2.gz	TXZHSJHAOANLDM-WBVHZDCISA-N	0	3	300.402	2.887	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccccc1)CC2	ZINC000573491995	429957305	/nfs/dbraw/zinc/95/73/05/429957305.db2.gz	RAINUSUVIDDYJO-APWZRJJASA-N	0	3	308.381	2.575	20	30		DFEDHN
N#CCc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1	ZINC000529115534	429962471	/nfs/dbraw/zinc/96/24/71/429962471.db2.gz	CBZQRQXOBYEYOA-KRWDZBQOSA-N	0	3	312.417	2.891	20	30		DFEDHN
N#CCc1cccc(NC(=O)NC[C@H]2CCN2C2CCCC2)c1	ZINC000529115535	429962487	/nfs/dbraw/zinc/96/24/87/429962487.db2.gz	CBZQRQXOBYEYOA-QGZVFWFLSA-N	0	3	312.417	2.891	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(C2CC2)c1	ZINC000528911227	429933407	/nfs/dbraw/zinc/93/34/07/429933407.db2.gz	YEFZUMBQVUEMNI-ZDUSSCGKSA-N	0	3	305.341	2.595	20	30		DFEDHN
CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cccnn1	ZINC000528921277	429935352	/nfs/dbraw/zinc/93/53/52/429935352.db2.gz	SZYBCYSLMNUGKI-AWEZNQCLSA-N	0	3	322.368	2.563	20	30		DFEDHN
CC1(C)C[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C(C)(C)O1	ZINC000528919435	429935414	/nfs/dbraw/zinc/93/54/14/429935414.db2.gz	LKIOJDMGTLWVNL-UONOGXRCSA-N	0	3	314.385	2.928	20	30		DFEDHN
CC1(C)C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C(C)(C)O1	ZINC000528919431	429935793	/nfs/dbraw/zinc/93/57/93/429935793.db2.gz	LKIOJDMGTLWVNL-KGLIPLIRSA-N	0	3	314.385	2.928	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C[C@@H]2CCOC2)C1	ZINC000369426048	429943585	/nfs/dbraw/zinc/94/35/85/429943585.db2.gz	LISLLAHVXGWAPB-KSZLIROESA-N	0	3	322.493	2.938	20	30		DFEDHN
CN(C)CC1(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCC1	ZINC000281191493	276757857	/nfs/dbraw/zinc/75/78/57/276757857.db2.gz	BTCAHBFCIBWEMX-UHFFFAOYSA-N	0	3	317.437	2.721	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NCCCNC(=O)C(C)C)cc1	ZINC000573334397	429945919	/nfs/dbraw/zinc/94/59/19/429945919.db2.gz	NYOSVLLSOCZQLQ-QGZVFWFLSA-N	0	3	317.433	2.792	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCCC12CC2	ZINC000528997350	429947009	/nfs/dbraw/zinc/94/70/09/429947009.db2.gz	UPFUCSHEWHKYCR-JKSUJKDBSA-N	0	3	310.397	2.934	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCN(c2ncccn2)CC1	ZINC000369449609	429947464	/nfs/dbraw/zinc/94/74/64/429947464.db2.gz	XLOAOJQUBNKSMJ-OAHLLOKOSA-N	0	3	307.401	2.622	20	30		DFEDHN
CN1CCC[C@H](CNc2ccnc(C#N)c2)[C@@H]1c1cccs1	ZINC000557585384	429947777	/nfs/dbraw/zinc/94/77/77/429947777.db2.gz	JCNIKEAMCIPKDY-CXAGYDPISA-N	0	3	312.442	2.932	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000560379071	430037776	/nfs/dbraw/zinc/03/77/76/430037776.db2.gz	MUUXVPSEHZLLKT-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000576316071	430104707	/nfs/dbraw/zinc/10/47/07/430104707.db2.gz	RXEIVAADGUIAQV-LYRGGWFBSA-N	0	3	318.808	2.915	20	30		DFEDHN
CC(C)[C@@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F	ZINC000562078725	430107959	/nfs/dbraw/zinc/10/79/59/430107959.db2.gz	UUNHKYDHRRZVGU-CYBMUJFWSA-N	0	3	300.324	2.931	20	30		DFEDHN
FC(F)(F)Oc1ccc(C#CCN2C[C@@H]3COC[C@@H]3C2)cc1	ZINC000634779783	430109813	/nfs/dbraw/zinc/10/98/13/430109813.db2.gz	GFCXMIFUOUYIFQ-OKILXGFUSA-N	0	3	311.303	2.515	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2F)CC1	ZINC000577095225	430111264	/nfs/dbraw/zinc/11/12/64/430111264.db2.gz	DBHAPCNKNBFSBV-MRXNPFEDSA-N	0	3	303.381	2.553	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@]2(CC=CCC2)C1	ZINC000530335889	430113265	/nfs/dbraw/zinc/11/32/65/430113265.db2.gz	HHEJPPSYRLCTIJ-DOTOQJQBSA-N	0	3	301.434	2.760	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000529716497	430059944	/nfs/dbraw/zinc/05/99/44/430059944.db2.gz	MPTNEJJQFRFDOV-CQSZACIVSA-N	0	3	301.390	2.597	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NCCOC[C@H]2CCCO2)cc1	ZINC000562593667	430151972	/nfs/dbraw/zinc/15/19/72/430151972.db2.gz	UOTZIEYNSAVUAJ-QZTJIDSGSA-N	0	3	318.417	2.825	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000580451006	430131292	/nfs/dbraw/zinc/13/12/92/430131292.db2.gz	VBHPGDPOVXHBKB-DJIMGWMZSA-N	0	3	308.466	2.546	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000580556086	430134236	/nfs/dbraw/zinc/13/42/36/430134236.db2.gz	COVNYWHPIUHTRN-HZPDHXFCSA-N	0	3	315.373	2.857	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])c1	ZINC000580556085	430134823	/nfs/dbraw/zinc/13/48/23/430134823.db2.gz	COVNYWHPIUHTRN-HOTGVXAUSA-N	0	3	315.373	2.857	20	30		DFEDHN
CC[C@@H](CC#N)NCCCCCn1nnc(-c2ccccc2)n1	ZINC000563366419	430182983	/nfs/dbraw/zinc/18/29/83/430182983.db2.gz	IMLABVGJLXNABR-INIZCTEOSA-N	0	3	312.421	2.792	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)CCN(C)c1ccncc1	ZINC000540925580	430183096	/nfs/dbraw/zinc/18/30/96/430183096.db2.gz	YYHWBKCPEYJHHN-UHFFFAOYSA-N	0	3	313.401	2.758	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000362087087	277037492	/nfs/dbraw/zinc/03/74/92/277037492.db2.gz	OQRXWNQPPFUSRS-UHFFFAOYSA-N	0	3	316.380	2.789	20	30		DFEDHN
CN(C)[C@@H](CNC[C@H](C#N)CCC#N)c1ccc(Cl)cc1	ZINC000564202461	430194773	/nfs/dbraw/zinc/19/47/73/430194773.db2.gz	KTJADFQJCVCZHX-BBRMVZONSA-N	0	3	304.825	2.976	20	30		DFEDHN
CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)[C@H]1c1ccccc1	ZINC000302716869	277138748	/nfs/dbraw/zinc/13/87/48/277138748.db2.gz	JWKABXRSLMOVPE-CXAGYDPISA-N	0	3	323.356	2.719	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CCC#N)CC1	ZINC000564725229	430197328	/nfs/dbraw/zinc/19/73/28/430197328.db2.gz	RQFYRDMZNMJKQR-HOTGVXAUSA-N	0	3	320.481	2.832	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)N2CCC(CC#N)CC2)cc1	ZINC000541914239	430197508	/nfs/dbraw/zinc/19/75/08/430197508.db2.gz	OZCDKYSYVGTRBI-UHFFFAOYSA-N	0	3	314.433	2.583	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1ncon1	ZINC000565667675	430223667	/nfs/dbraw/zinc/22/36/67/430223667.db2.gz	VGCQHJLFBAOJQR-GJZGRUSLSA-N	0	3	310.357	2.506	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1	ZINC000120757148	277379507	/nfs/dbraw/zinc/37/95/07/277379507.db2.gz	UVMVEMZZNOFHOG-UHFFFAOYSA-N	0	3	301.434	2.537	20	30		DFEDHN
COC[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C	ZINC000542526478	430215623	/nfs/dbraw/zinc/21/56/23/430215623.db2.gz	QHJPMGUWGKHIEE-XHDPSFHLSA-N	0	3	323.824	2.799	20	30		DFEDHN
CC1CCN([C@H](CNc2ncncc2C#N)c2ccccc2)CC1	ZINC000566148433	430244004	/nfs/dbraw/zinc/24/40/04/430244004.db2.gz	BBICHJZUOWHAEV-GOSISDBHSA-N	0	3	321.428	2.655	20	30		DFEDHN
Cc1noc([C@H](C)N(C)C(=O)C(C#N)CCc2ccccc2)n1	ZINC000566748140	430272602	/nfs/dbraw/zinc/27/26/02/430272602.db2.gz	LTACCSUBTLTTAF-WFASDCNBSA-N	0	3	312.373	2.670	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1ccc(Cl)cc1Cl	ZINC000582177151	430274647	/nfs/dbraw/zinc/27/46/47/430274647.db2.gz	DVYKKFDWKNKEBW-NSHDSACASA-N	0	3	303.189	2.626	20	30		DFEDHN
CC(C)[C@H]1CN(c2cccc(-n3cccn3)c2C#N)CCN1C	ZINC000567179958	430279889	/nfs/dbraw/zinc/27/98/89/430279889.db2.gz	ZGNPCDUXNQCMBC-GOSISDBHSA-N	0	3	309.417	2.520	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1CN	ZINC000567232955	430281090	/nfs/dbraw/zinc/28/10/90/430281090.db2.gz	RRFMICYYOLUKLW-RHSMWYFYSA-N	0	3	301.434	2.999	20	30		DFEDHN
C[C@]12CN(CC(=O)NCc3cccc(C#N)c3)C[C@@H]1[C@@H]1CC[C@H]2C1	ZINC000565816067	430228019	/nfs/dbraw/zinc/22/80/19/430228019.db2.gz	HDHNXSBFGXWBHE-AJYBTWMASA-N	0	3	323.440	2.542	20	30		DFEDHN
N#CCC1(CNC[C@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000567726668	430286205	/nfs/dbraw/zinc/28/62/05/430286205.db2.gz	QNTKPGSALSDYIB-HNNXBMFYSA-N	0	3	308.809	2.501	20	30		DFEDHN
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1CCNC2	ZINC000568148371	430320796	/nfs/dbraw/zinc/32/07/96/430320796.db2.gz	UBEUJZORKBUDOJ-CYBMUJFWSA-N	0	3	321.380	2.610	20	30		DFEDHN
N#Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)s1	ZINC000546555733	430354579	/nfs/dbraw/zinc/35/45/79/430354579.db2.gz	IKBZNYLBIWDSNQ-PHIMTYICSA-N	0	3	313.386	2.525	20	30		DFEDHN
N#Cc1ccc(-c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)s1	ZINC000546555730	430355068	/nfs/dbraw/zinc/35/50/68/430355068.db2.gz	IKBZNYLBIWDSNQ-GHMZBOCLSA-N	0	3	313.386	2.525	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(c2c(C#N)nnc3ccccc32)C[C@@H](C)C1	ZINC000568581948	430370501	/nfs/dbraw/zinc/37/05/01/430370501.db2.gz	FRKIZFWEDJTGLF-PMUMKWKESA-N	0	3	321.428	2.668	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000547416493	430392802	/nfs/dbraw/zinc/39/28/02/430392802.db2.gz	CXHUGNRXQQFPBN-GXTWGEPZSA-N	0	3	316.405	2.513	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)[C@H]1CN2CCC[C@@H]2CO1	ZINC000635898270	430407862	/nfs/dbraw/zinc/40/78/62/430407862.db2.gz	YLWOTDCSTTXDJK-NVXWUHKLSA-N	0	3	300.402	2.607	20	30		DFEDHN
CC1=C(c2ccco2)CN(C[C@@H]2CNc3c(C#N)cnn3C2)CC1	ZINC000569245532	430435369	/nfs/dbraw/zinc/43/53/69/430435369.db2.gz	MMVLIBKFSKUXFX-AWEZNQCLSA-N	0	3	323.400	2.569	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000569248519	430437586	/nfs/dbraw/zinc/43/75/86/430437586.db2.gz	OKXAMYJSMZQLMM-IBGZPJMESA-N	0	3	323.396	2.854	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OC)c(OCC(C)C)c1	ZINC000641769719	430466415	/nfs/dbraw/zinc/46/64/15/430466415.db2.gz	YUAATYGNZYGFLT-INIZCTEOSA-N	0	3	305.418	2.594	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccccc1OCc1ccncc1	ZINC000641768826	430466468	/nfs/dbraw/zinc/46/64/68/430466468.db2.gz	JIPCEZRCMTWPHK-SFHVURJKSA-N	0	3	310.397	2.525	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C(F)F)nc(SC)n2)CC1	ZINC000584559782	430476845	/nfs/dbraw/zinc/47/68/45/430476845.db2.gz	HFPGCUABLDRAIE-UHFFFAOYSA-N	0	3	314.405	3.198	20	30		DFEDHN
Cc1cc(C#N)cc(NCC(C)(C)N2CCc3ccccc3C2)n1	ZINC000587142108	430482678	/nfs/dbraw/zinc/48/26/78/430482678.db2.gz	RIYFMSPYGOXQHG-UHFFFAOYSA-N	0	3	320.440	3.511	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000569935940	430500229	/nfs/dbraw/zinc/50/02/29/430500229.db2.gz	CEDMBYSFMIXMQI-FHLIZLRMSA-N	0	3	311.429	2.510	20	30		DFEDHN
N#CCC1(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1	ZINC000570146803	430516712	/nfs/dbraw/zinc/51/67/12/430516712.db2.gz	KQPNHAXLQQYYLM-UHFFFAOYSA-N	0	3	310.357	2.589	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CC(C3CC3)C2)c(OC)c1	ZINC000642924448	430535188	/nfs/dbraw/zinc/53/51/88/430535188.db2.gz	QXNMKYLLPOAMBE-QGZVFWFLSA-N	0	3	317.429	2.505	20	30		DFEDHN
C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)[C@H](c1ccccc1)N(C)C	ZINC000601156338	430537402	/nfs/dbraw/zinc/53/74/02/430537402.db2.gz	PIMAKUHUTTUEQY-FZKQIMNGSA-N	0	3	321.428	3.329	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000550961851	430548422	/nfs/dbraw/zinc/54/84/22/430548422.db2.gz	MWASMFBIUSEVBQ-OAHLLOKOSA-N	0	3	322.412	2.512	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NCC1(C#N)CC1)c1ccsc1	ZINC000570777105	430574299	/nfs/dbraw/zinc/57/42/99/430574299.db2.gz	HZKDYDJRDFHVMU-CQSZACIVSA-N	0	3	320.462	2.734	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc(C#N)n1	ZINC000570952612	430591998	/nfs/dbraw/zinc/59/19/98/430591998.db2.gz	RUZUJQUPUHGGAO-NVXWUHKLSA-N	0	3	306.413	2.931	20	30		DFEDHN
C=CCC1(C(=O)N(CC)C[C@H]2CCCN2CC)CCOCC1	ZINC000571756310	430651005	/nfs/dbraw/zinc/65/10/05/430651005.db2.gz	ACWMYPAHQLMVBL-MRXNPFEDSA-N	0	3	308.466	2.692	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c(C)c1	ZINC000554831287	430652073	/nfs/dbraw/zinc/65/20/73/430652073.db2.gz	HCLHULFSLUGRPL-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)COc1ccccc1	ZINC000552970100	430605408	/nfs/dbraw/zinc/60/54/08/430605408.db2.gz	IGDXRMRQLVUXOU-YLJYHZDGSA-N	0	3	322.408	2.965	20	30		DFEDHN
CO[C@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000571169381	430609029	/nfs/dbraw/zinc/60/90/29/430609029.db2.gz	IWFLHXPCSYOJKE-GJZGRUSLSA-N	0	3	301.346	2.514	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CN1CC[C@@H](C)C1	ZINC000553393633	430615943	/nfs/dbraw/zinc/61/59/43/430615943.db2.gz	XUZFKINYNMWZIB-OAHLLOKOSA-N	0	3	302.418	2.552	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000556359199	430684034	/nfs/dbraw/zinc/68/40/34/430684034.db2.gz	IWQKASRJSVOVIY-INIZCTEOSA-N	0	3	314.433	2.502	20	30		DFEDHN
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000555864328	430674790	/nfs/dbraw/zinc/67/47/90/430674790.db2.gz	UXHRUAUKRHPZDX-QJPTWQEYSA-N	0	3	319.371	2.656	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000639618643	430682551	/nfs/dbraw/zinc/68/25/51/430682551.db2.gz	QWLHNQDFTAFILJ-RBUKOAKNSA-N	0	3	303.446	2.977	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000246411908	278305864	/nfs/dbraw/zinc/30/58/64/278305864.db2.gz	QNFYTQZELNRAQF-AEFFLSMTSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=CCOc1ccc(CNC2(COC)CCOCC2)cc1OC	ZINC000556906862	430695703	/nfs/dbraw/zinc/69/57/03/430695703.db2.gz	CPBYEIYGORNAMM-UHFFFAOYSA-N	0	3	321.417	2.545	20	30		DFEDHN
C=CCc1cc(CN[C@H]2C[C@H](O)C23CCC3)cc(OC)c1O	ZINC000657706715	430713811	/nfs/dbraw/zinc/71/38/11/430713811.db2.gz	QHKRDLYJHDGYHN-HOTGVXAUSA-N	0	3	303.402	2.522	20	30		DFEDHN
NC(=O)[C@H]1CCCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000184809783	335088993	/nfs/dbraw/zinc/08/89/93/335088993.db2.gz	HECSNNJLKWCUGB-GJZGRUSLSA-N	0	3	324.346	2.691	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)NCCCN1CCCO[C@@H](C)C1	ZINC000664756061	430738181	/nfs/dbraw/zinc/73/81/81/430738181.db2.gz	CKSPZFGZHRREMN-HNNXBMFYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ncccc2SC)CC1	ZINC000651273669	430755957	/nfs/dbraw/zinc/75/59/57/430755957.db2.gz	VDUGNOLZUIZPCS-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
C=CCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000664970806	430793511	/nfs/dbraw/zinc/79/35/11/430793511.db2.gz	PEBXBBMCRFPASE-OAHLLOKOSA-N	0	3	307.463	2.887	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000292388846	335089140	/nfs/dbraw/zinc/08/91/40/335089140.db2.gz	NMXXOUWDQOAWTK-MRXNPFEDSA-N	0	3	310.441	2.543	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC)[C@@H]1CCN(C)C1	ZINC000665151017	430838255	/nfs/dbraw/zinc/83/82/55/430838255.db2.gz	NQFAIYWVLLAGMF-ZWKOTPCHSA-N	0	3	315.461	2.909	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)CC(F)F)CC1	ZINC000645212660	430938164	/nfs/dbraw/zinc/93/81/64/430938164.db2.gz	PECXCBAPCFVVFG-LBPRGKRZSA-N	0	3	303.397	2.617	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CNCC3)C1	ZINC000659021026	430942036	/nfs/dbraw/zinc/94/20/36/430942036.db2.gz	UTIKEQFKLBFWIP-CYBMUJFWSA-N	0	3	300.406	2.547	20	30		DFEDHN
C=CCCC1(CNC(=O)N[C@H](CN)C(F)(F)F)CCCC1	ZINC000659024412	430944010	/nfs/dbraw/zinc/94/40/10/430944010.db2.gz	BWBZNRFNAKXEPP-LLVKDONJSA-N	0	3	307.360	2.702	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659043699	430948376	/nfs/dbraw/zinc/94/83/76/430948376.db2.gz	PWHZGPAHQKZJRD-IRXDYDNUSA-N	0	3	315.417	2.920	20	30		DFEDHN
N#CC(C(=O)c1cnc2n1CCC2)c1cc(C(F)(F)F)ccn1	ZINC000659114443	430951755	/nfs/dbraw/zinc/95/17/55/430951755.db2.gz	BFOQARPQXLPJJX-SNVBAGLBSA-N	0	3	320.274	2.733	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C1CCOCC1	ZINC000659115200	430953369	/nfs/dbraw/zinc/95/33/69/430953369.db2.gz	QLRAPHMSUJBGKC-MRXNPFEDSA-N	0	3	324.384	2.737	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2	ZINC000655479869	431023646	/nfs/dbraw/zinc/02/36/46/431023646.db2.gz	KAQGPHSYGSNAEH-MRXNPFEDSA-N	0	3	313.401	2.945	20	30		DFEDHN
C=CCC[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1	ZINC000659470590	431066365	/nfs/dbraw/zinc/06/63/65/431066365.db2.gz	GQUCUFGKASFGDO-OAGGEKHMSA-N	0	3	305.397	2.775	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCC2(CNC2)O1	ZINC000662248601	431013809	/nfs/dbraw/zinc/01/38/09/431013809.db2.gz	HFDHWCWYKJLWEF-GFCCVEGCSA-N	0	3	312.866	2.911	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000288187091	278968647	/nfs/dbraw/zinc/96/86/47/278968647.db2.gz	BVQZYIAARMQTSR-YPMHNXCESA-N	0	3	319.355	2.535	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1	ZINC000655824264	431172003	/nfs/dbraw/zinc/17/20/03/431172003.db2.gz	HCRDDYVLOULXQR-ZACQAIPSSA-N	0	3	318.461	2.839	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)[C@H](CN)C(F)(F)F)c1ccccc1	ZINC000662986298	431251140	/nfs/dbraw/zinc/25/11/40/431251140.db2.gz	LBEBLHTYQWBZMP-DGCLKSJQSA-N	0	3	300.324	2.694	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](C)COC	ZINC000663416799	431414427	/nfs/dbraw/zinc/41/44/27/431414427.db2.gz	RNCCRPUCJZACIL-RDJZCZTQSA-N	0	3	319.449	2.522	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CCC)C1	ZINC000666928016	431409659	/nfs/dbraw/zinc/40/96/59/431409659.db2.gz	CKFPUZVZFHQHBK-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000660496921	431461158	/nfs/dbraw/zinc/46/11/58/431461158.db2.gz	UBSNUOIGBILEQG-QGZVFWFLSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21	ZINC000646941166	431426756	/nfs/dbraw/zinc/42/67/56/431426756.db2.gz	VEILOXFWOCSXJK-HIFRSBDPSA-N	0	3	302.443	2.741	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000656858488	431552577	/nfs/dbraw/zinc/55/25/77/431552577.db2.gz	LSJSZGAXEGJUFQ-CHWSQXEVSA-N	0	3	307.356	2.604	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H](N3CCCC3)C2)c1C#N	ZINC000371691952	280233746	/nfs/dbraw/zinc/23/37/46/280233746.db2.gz	FAHIHZQCMWWTFO-CYBMUJFWSA-N	0	3	304.825	2.980	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C)CCc2ccc(OC)cc2)nn1	ZINC000657334763	431682176	/nfs/dbraw/zinc/68/21/76/431682176.db2.gz	GSXBDJAZXQCNAD-HNNXBMFYSA-N	0	3	314.433	2.974	20	30		DFEDHN
C=CCCn1cc(CNC(C)(C)Cc2ccccc2OC)nn1	ZINC000657350245	431692529	/nfs/dbraw/zinc/69/25/29/431692529.db2.gz	RHABHQVWLGNANV-UHFFFAOYSA-N	0	3	314.433	2.974	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NCc1cc(=O)n2ccsc2n1	ZINC000661117378	431739286	/nfs/dbraw/zinc/73/92/86/431739286.db2.gz	QLJVPROEBHAPBK-GXTWGEPZSA-N	0	3	303.431	2.981	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](OC(C)C)C2)CC1	ZINC000650852159	431722160	/nfs/dbraw/zinc/72/21/60/431722160.db2.gz	SXCHMOCAUGFFMU-QGZVFWFLSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(Cc1cc2ccccc2n(C)c1=O)[C@H](C)COC	ZINC000661240666	431790482	/nfs/dbraw/zinc/79/04/82/431790482.db2.gz	PSGTXGZHFPMFMV-CQSZACIVSA-N	0	3	300.402	2.561	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccc(F)c1C)[C@H](C)COC	ZINC000661242090	431793352	/nfs/dbraw/zinc/79/33/52/431793352.db2.gz	KMNVMNYVAZUIHY-CYBMUJFWSA-N	0	3	308.397	2.986	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccccc1Cl)[C@H](C)COC	ZINC000661248136	431795213	/nfs/dbraw/zinc/79/52/13/431795213.db2.gz	SCWUBFUFHOIBJJ-ZIAGYGMSSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=C(CC)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000661292785	431812702	/nfs/dbraw/zinc/81/27/02/431812702.db2.gz	ROXJTNYXGNXCEQ-UHFFFAOYSA-N	0	3	316.449	2.559	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCC#Cc2ccc(Cl)cc2)C1	ZINC000661222751	431784351	/nfs/dbraw/zinc/78/43/51/431784351.db2.gz	WNQRWYZCSGAHKN-CGTJXYLNSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CCOc1ccc(CNCCO[C@H]2CC2(F)F)cc1OC	ZINC000657618465	431827467	/nfs/dbraw/zinc/82/74/67/431827467.db2.gz	UVFJQGHKURUZQE-HNNXBMFYSA-N	0	3	313.344	2.774	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000661368807	431835835	/nfs/dbraw/zinc/83/58/35/431835835.db2.gz	MQMCTYVHRLYGAI-TWMKSMIVSA-N	0	3	303.450	2.896	20	30		DFEDHN
C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2cccc(OC)c2)C1	ZINC000661378562	431836954	/nfs/dbraw/zinc/83/69/54/431836954.db2.gz	JAZRGKKDBKHEHQ-HZPDHXFCSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@H]1CCCN([C@@H](C)C(=O)NCc2cccc(OC)c2)C1	ZINC000661378561	431837524	/nfs/dbraw/zinc/83/75/24/431837524.db2.gz	JAZRGKKDBKHEHQ-HOTGVXAUSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CC[C@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000661383064	431838963	/nfs/dbraw/zinc/83/89/63/431838963.db2.gz	YNBAVUSMKZPSME-HNNXBMFYSA-N	0	3	322.474	2.725	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000371360670	289902347	/nfs/dbraw/zinc/90/23/47/289902347.db2.gz	IQCMHZPWFFNIJV-UHFFFAOYSA-N	0	3	311.429	2.578	20	30		DFEDHN
CN(C)CCOC1CCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000537877712	301313190	/nfs/dbraw/zinc/31/31/90/301313190.db2.gz	JIOMDENPEPPMKN-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3ccncc3C#N)c2)CC1	ZINC000548491101	301595151	/nfs/dbraw/zinc/59/51/51/301595151.db2.gz	KNIYUBBHXXNZSL-UHFFFAOYSA-N	0	3	321.428	2.649	20	30		DFEDHN
Cc1ccc([C@@H]2CCN(Cc3cnc4c(C#N)cnn4c3)C2)cc1	ZINC000564984772	302179228	/nfs/dbraw/zinc/17/92/28/302179228.db2.gz	APHXRBGFAZPOHG-QGZVFWFLSA-N	0	3	317.396	2.899	20	30		DFEDHN
N#Cc1cnn2cc(CNC[C@@H]3CCCCC3(F)F)cnc12	ZINC000564987013	302179559	/nfs/dbraw/zinc/17/95/59/302179559.db2.gz	XOIVZWWRXOFNTR-ZDUSSCGKSA-N	0	3	305.332	2.516	20	30		DFEDHN
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000565557615	302230107	/nfs/dbraw/zinc/23/01/07/302230107.db2.gz	RRXIDTRPPAOYOC-WBMJQRKESA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000565557614	302230140	/nfs/dbraw/zinc/23/01/40/302230140.db2.gz	RRXIDTRPPAOYOC-MLGOLLRUSA-N	0	3	317.820	2.910	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(C#N)s2)C[C@H]1N1CCCC1	ZINC000565958669	302251099	/nfs/dbraw/zinc/25/10/99/302251099.db2.gz	CGISLUIQODPWMR-CABCVRRESA-N	0	3	307.488	2.631	20	30		DFEDHN
COCCN(C)CCNc1c(C#N)cnc2c(Cl)cccc21	ZINC000567750065	302386713	/nfs/dbraw/zinc/38/67/13/302386713.db2.gz	GQGHHPLMYVQMBS-UHFFFAOYSA-N	0	3	318.808	2.750	20	30		DFEDHN
C[C@]1(F)CNCCN(c2c(C#N)cnc3c(Cl)cccc32)C1	ZINC000567880875	302395911	/nfs/dbraw/zinc/39/59/11/302395911.db2.gz	OUBHQFWRSANSEG-INIZCTEOSA-N	0	3	318.783	2.898	20	30		DFEDHN
C[C@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1ccccc1Cl	ZINC000570633041	302583134	/nfs/dbraw/zinc/58/31/34/302583134.db2.gz	WQVVKWBJLQYEQO-NWDGAFQWSA-N	0	3	315.808	2.801	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000280736198	302867965	/nfs/dbraw/zinc/86/79/65/302867965.db2.gz	WJXUPXQWCASMBD-AWEZNQCLSA-N	0	3	301.390	2.550	20	30		DFEDHN
C[C@H](CN(C)Cc1cnc2ccc(C#N)cn12)c1nccs1	ZINC000183262939	316135878	/nfs/dbraw/zinc/13/58/78/316135878.db2.gz	ZYMLWVNQFIEOPI-GFCCVEGCSA-N	0	3	311.414	2.898	20	30		DFEDHN
C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C	ZINC000316985722	316247259	/nfs/dbraw/zinc/24/72/59/316247259.db2.gz	KROSBRFEATWRAD-IIAWOOMASA-N	0	3	320.458	2.746	20	30		DFEDHN
CCc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)s1	ZINC000319014089	316250819	/nfs/dbraw/zinc/25/08/19/316250819.db2.gz	CAMYNZIHJSTHDC-CQSZACIVSA-N	0	3	316.426	2.712	20	30		DFEDHN
C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000320114641	316252775	/nfs/dbraw/zinc/25/27/75/316252775.db2.gz	QQYQHGBYHKFQHQ-GOEBONIOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](NC(=O)Cc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000545317824	317841126	/nfs/dbraw/zinc/84/11/26/317841126.db2.gz	BOSJZWGCKORXHM-FOIQADDNSA-N	0	3	321.424	2.908	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3cccc(C#N)n3)c2)CC1	ZINC000574613790	318027828	/nfs/dbraw/zinc/02/78/28/318027828.db2.gz	QZJDNOYESSWQOZ-UHFFFAOYSA-N	0	3	307.401	2.839	20	30		DFEDHN
COc1ccccc1[C@@H]1CNCCN1Cc1cccc(C#N)c1	ZINC000575753644	318081277	/nfs/dbraw/zinc/08/12/77/318081277.db2.gz	WXDGDNBUGNKMLI-SFHVURJKSA-N	0	3	307.397	2.713	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1c1ccc(C#N)c(N)n1	ZINC000575761942	318082138	/nfs/dbraw/zinc/08/21/38/318082138.db2.gz	ICRZPZYDDZARKV-HNNXBMFYSA-N	0	3	321.428	2.636	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)n1C	ZINC000576714681	318145499	/nfs/dbraw/zinc/14/54/99/318145499.db2.gz	GEYDMEUFMLIFDE-UHFFFAOYSA-N	0	3	311.389	2.566	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](COCc3ccccc3)C2)nc1	ZINC000577646767	318207866	/nfs/dbraw/zinc/20/78/66/318207866.db2.gz	VZAXOBBCIMKZFU-GOSISDBHSA-N	0	3	307.397	2.992	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1	ZINC000579126545	318309056	/nfs/dbraw/zinc/30/90/56/318309056.db2.gz	OBHSKCOHWWOTCV-INIZCTEOSA-N	0	3	315.373	2.905	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1	ZINC000579249615	318317786	/nfs/dbraw/zinc/31/77/86/318317786.db2.gz	SIWBYLGWLHZISR-ZMSDIMECSA-N	0	3	315.373	2.592	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1	ZINC000579957408	318366050	/nfs/dbraw/zinc/36/60/50/318366050.db2.gz	AUXXWQHQPREQNY-FVQBIDKESA-N	0	3	313.357	2.514	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@H]1n1cccn1	ZINC000580102806	318376422	/nfs/dbraw/zinc/37/64/22/318376422.db2.gz	NKJCXLNWYRRSBS-KZNAEPCWSA-N	0	3	310.401	2.572	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000379678732	323290241	/nfs/dbraw/zinc/29/02/41/323290241.db2.gz	GUQYTMSRRGNVCV-ZBFHGGJFSA-N	0	3	307.401	2.813	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000379678729	323291318	/nfs/dbraw/zinc/29/13/18/323291318.db2.gz	GUQYTMSRRGNVCV-GDBMZVCRSA-N	0	3	307.401	2.813	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000389138833	323334398	/nfs/dbraw/zinc/33/43/98/323334398.db2.gz	OXUPXHZOGOFNEL-ZBFHGGJFSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](CCC(C)(C)C)NCCS(=O)(=O)c1ccc(C#N)cn1	ZINC000580423092	323383464	/nfs/dbraw/zinc/38/34/64/323383464.db2.gz	DNLOQHZBYKULRT-ZDUSSCGKSA-N	0	3	323.462	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1	ZINC000117793425	331586375	/nfs/dbraw/zinc/58/63/75/331586375.db2.gz	VVWJMYYCRYMVIT-RDTXWAMCSA-N	0	3	314.429	2.708	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000181055778	332173592	/nfs/dbraw/zinc/17/35/92/332173592.db2.gz	MWUXQJVRRWPFJW-MRXNPFEDSA-N	0	3	301.434	2.891	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H](N)c1ccccc1)C(C)C	ZINC000236683601	332201909	/nfs/dbraw/zinc/20/19/09/332201909.db2.gz	ROFPEHHTRIIFAM-MSOLQXFVSA-N	0	3	315.461	2.501	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000448031816	332253465	/nfs/dbraw/zinc/25/34/65/332253465.db2.gz	SCMHLGPFIHSAIG-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccccc2)C(C)(C)C1	ZINC000370864662	332272415	/nfs/dbraw/zinc/27/24/15/332272415.db2.gz	FNDVGOLNYUDCKR-WBVHZDCISA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](OC(C)C)c2ccccc2)CC1	ZINC000293266182	335102963	/nfs/dbraw/zinc/10/29/63/335102963.db2.gz	ZYQUJFIAXYNMFI-GOSISDBHSA-N	0	3	316.445	2.919	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)NC3CCCCC3)CC2)C1	ZINC000408384203	332503903	/nfs/dbraw/zinc/50/39/03/332503903.db2.gz	ZBEFDURYRWEKDR-RHSMWYFYSA-N	0	3	318.465	2.775	20	30		DFEDHN
C=CCOCCN1CCC(OCc2ccccc2OC)CC1	ZINC000293717648	335112378	/nfs/dbraw/zinc/11/23/78/335112378.db2.gz	FIOIUORWPUWVOU-UHFFFAOYSA-N	0	3	305.418	2.879	20	30		DFEDHN
CCc1ccc(C#CC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1	ZINC000293681285	335112477	/nfs/dbraw/zinc/11/24/77/335112477.db2.gz	KVYBGKACLNQBMI-MOPGFXCFSA-N	0	3	310.441	2.543	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(OCC2CCCCC2)CC1	ZINC000567660097	332650812	/nfs/dbraw/zinc/65/08/12/332650812.db2.gz	CDLNVGLVSXUHMY-QGZVFWFLSA-N	0	3	321.465	2.595	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C(C)(F)F)cc2)CC1	ZINC000491148513	332984777	/nfs/dbraw/zinc/98/47/77/332984777.db2.gz	WEPCKEKWXOWAIP-UHFFFAOYSA-N	0	3	320.383	2.760	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC3(CC2)OCCCO3)cc1	ZINC000293660900	335114860	/nfs/dbraw/zinc/11/48/60/335114860.db2.gz	NULZWEMFHOORCU-UHFFFAOYSA-N	0	3	315.413	2.818	20	30		DFEDHN
C=CCOCCN1CCC(Nc2cc(OC)cc(OC)c2)CC1	ZINC000293885405	335115561	/nfs/dbraw/zinc/11/55/61/335115561.db2.gz	UNTFJOUIODRYPJ-UHFFFAOYSA-N	0	3	320.433	2.783	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(SC(F)F)cc1	ZINC000293973248	335116155	/nfs/dbraw/zinc/11/61/55/335116155.db2.gz	MFUDBJOATXYVKT-UHFFFAOYSA-N	0	3	312.385	2.686	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000466443918	333021270	/nfs/dbraw/zinc/02/12/70/333021270.db2.gz	OFGXJBANPCHASV-OAHLLOKOSA-N	0	3	300.446	2.804	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000171413869	333048238	/nfs/dbraw/zinc/04/82/38/333048238.db2.gz	JVURDXPYZKZKTI-AWEZNQCLSA-N	0	3	320.462	2.878	20	30		DFEDHN
N#CCCCCNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000171725069	333053131	/nfs/dbraw/zinc/05/31/31/333053131.db2.gz	QDZDKLLJQSADFY-UHFFFAOYSA-N	0	3	314.433	2.644	20	30		DFEDHN
Cc1cccc(CN(CCN(C)C)C(=O)NCCCCC#N)c1	ZINC000172028372	333057759	/nfs/dbraw/zinc/05/77/59/333057759.db2.gz	CUJRLAQMACORBQ-UHFFFAOYSA-N	0	3	316.449	2.762	20	30		DFEDHN
N#CCCn1cc(CN[C@@H]2CCCOC2)c(-c2ccccc2)n1	ZINC000172120042	333059169	/nfs/dbraw/zinc/05/91/69/333059169.db2.gz	YIWCUWCDBIVPER-QGZVFWFLSA-N	0	3	310.401	2.732	20	30		DFEDHN
COCCCCCO/N=C/c1ccc(N2CCOCC2)cc1	ZINC000174086291	333082029	/nfs/dbraw/zinc/08/20/29/333082029.db2.gz	WMWQNOZVTGMEQI-OBGWFSINSA-N	0	3	306.406	2.690	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)NCCCCC#N)CN1Cc1ccccc1	ZINC000176590454	333115598	/nfs/dbraw/zinc/11/55/98/333115598.db2.gz	KODCLUIIQAUDIQ-RDJZCZTQSA-N	0	3	314.433	2.642	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H](C)CN2CCCCC2)cc1	ZINC000294386206	335121771	/nfs/dbraw/zinc/12/17/71/335121771.db2.gz	HPXLYNNYOONBLM-INIZCTEOSA-N	0	3	316.445	2.785	20	30		DFEDHN
N#CC(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccncn1	ZINC000354462127	333144158	/nfs/dbraw/zinc/14/41/58/333144158.db2.gz	HEJPMNDGUWUKMH-NSHDSACASA-N	0	3	307.231	2.865	20	30		DFEDHN
CN(CCC1CCN(c2ccncc2)CC1)C(=O)C(C)(C)C#N	ZINC000180449622	333162143	/nfs/dbraw/zinc/16/21/43/333162143.db2.gz	SNURYSHHTMRVPW-UHFFFAOYSA-N	0	3	314.433	2.696	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)[C@@H](C)c1ccccc1	ZINC000181536079	333170004	/nfs/dbraw/zinc/17/00/04/333170004.db2.gz	XDYGABYNDRQKSZ-OAGGEKHMSA-N	0	3	301.434	2.776	20	30		DFEDHN
C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(OCC#N)cc1	ZINC000181614960	333170775	/nfs/dbraw/zinc/17/07/75/333170775.db2.gz	KPMRYZAZTGHBSE-OAHLLOKOSA-N	0	3	323.396	2.670	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000185307384	335126883	/nfs/dbraw/zinc/12/68/83/335126883.db2.gz	MIZLGZZHLOJWDA-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC1	ZINC000309656948	333186369	/nfs/dbraw/zinc/18/63/69/333186369.db2.gz	JWQSVQGNDDXETJ-KRWDZBQOSA-N	0	3	311.429	2.709	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCCNc2nccc(C(F)(F)F)n2)C1	ZINC000185840736	333214783	/nfs/dbraw/zinc/21/47/83/333214783.db2.gz	DFCWMPQNHHZMAY-WDEREUQCSA-N	0	3	313.327	2.579	20	30		DFEDHN
N#C[C@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000185872951	333215190	/nfs/dbraw/zinc/21/51/90/333215190.db2.gz	YALZEXRHFZYUGP-DZKIICNBSA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC=C(c3ccccc3)C2)CC1	ZINC000363994468	333217522	/nfs/dbraw/zinc/21/75/22/333217522.db2.gz	FQQHWKOLCPNSTG-UHFFFAOYSA-N	0	3	311.429	2.746	20	30		DFEDHN
CC#CCCCC(=O)Nc1ccnc(OC2CCN(C)CC2)c1	ZINC000364061149	333229579	/nfs/dbraw/zinc/22/95/79/333229579.db2.gz	BKLQPRROOBBGLI-UHFFFAOYSA-N	0	3	315.417	2.687	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21	ZINC000364148989	333247735	/nfs/dbraw/zinc/24/77/35/333247735.db2.gz	JXHSOKXFVKRSSA-ULQDDVLXSA-N	0	3	323.481	2.900	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCCCN1CC	ZINC000497620725	333270737	/nfs/dbraw/zinc/27/07/37/333270737.db2.gz	HRKXKWGCDYRKFG-MRXNPFEDSA-N	0	3	319.449	2.894	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000364986495	333333830	/nfs/dbraw/zinc/33/38/30/333333830.db2.gz	YULMZQKSACTSJV-DLBZAZTESA-N	0	3	301.434	2.822	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1CCOC1(C)C	ZINC000295242806	335134426	/nfs/dbraw/zinc/13/44/26/335134426.db2.gz	PNKLXEZNWKVSJR-ZFWWWQNUSA-N	0	3	322.474	2.808	20	30		DFEDHN
CCCCCCCC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1	ZINC000365103796	333355157	/nfs/dbraw/zinc/35/51/57/333355157.db2.gz	CUGYHPGMZLEBQP-GOSISDBHSA-N	0	3	323.525	2.833	20	30		DFEDHN
CC#CCCN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000186295336	333372697	/nfs/dbraw/zinc/37/26/97/333372697.db2.gz	DCEOQMYPUPDGGH-HNNXBMFYSA-N	0	3	320.458	2.633	20	30		DFEDHN
C=CCCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000102218321	333386462	/nfs/dbraw/zinc/38/64/62/333386462.db2.gz	SAXJVVQVHFATCT-KRWDZBQOSA-N	0	3	302.418	2.915	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC(Cc3cccc(F)c3)CC2)C1=O	ZINC000337144791	333440328	/nfs/dbraw/zinc/44/03/28/333440328.db2.gz	WVJDAOOOBGVHNT-GOSISDBHSA-N	0	3	316.420	2.867	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C	ZINC000337414033	333448512	/nfs/dbraw/zinc/44/85/12/333448512.db2.gz	OPGYADDOPMGDGW-DOMZBBRYSA-N	0	3	321.396	2.513	20	30		DFEDHN
C=C(C)COCCNCc1c(C)nn(-c2ccccn2)c1C	ZINC000338440200	333487615	/nfs/dbraw/zinc/48/76/15/333487615.db2.gz	NRKVHRLGQWIHII-UHFFFAOYSA-N	0	3	300.406	2.566	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(CC(C)C)CC1	ZINC000338791144	333498551	/nfs/dbraw/zinc/49/85/51/333498551.db2.gz	YHHRQMYEBZDSIU-UHFFFAOYSA-N	0	3	319.497	2.831	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC([C@@H]3CCOC3)C2)c1	ZINC000366253367	333508297	/nfs/dbraw/zinc/50/82/97/333508297.db2.gz	VKJJBVANGTVUFH-MRXNPFEDSA-N	0	3	300.402	2.837	20	30		DFEDHN
Cc1nn(C)cc1[C@@H](C)NCc1ccc(N(C)CCC#N)cc1	ZINC000237501755	333520437	/nfs/dbraw/zinc/52/04/37/333520437.db2.gz	OTHUHSVMNCVVDH-CQSZACIVSA-N	0	3	311.433	2.929	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)Cc1ccccc1SC	ZINC000296951552	335150192	/nfs/dbraw/zinc/15/01/92/335150192.db2.gz	QHADORZHXSHDQK-UHFFFAOYSA-N	0	3	319.474	2.505	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](c1ccccc1)N(C)C	ZINC000425781762	333650583	/nfs/dbraw/zinc/65/05/83/333650583.db2.gz	GHAHOAXQEOCYRD-YALNPMBYSA-N	0	3	314.433	2.669	20	30		DFEDHN
C[C@H](CCC#N)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000411434489	333671278	/nfs/dbraw/zinc/67/12/78/333671278.db2.gz	VWCMBTPQAASRFG-HZPDHXFCSA-N	0	3	303.450	2.793	20	30		DFEDHN
CC#CCN(C)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000297015560	335150936	/nfs/dbraw/zinc/15/09/36/335150936.db2.gz	AWPIJPZHVBKARJ-UHFFFAOYSA-N	0	3	319.474	2.625	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000186344857	335157414	/nfs/dbraw/zinc/15/74/14/335157414.db2.gz	WVDBXEKXDNVZNK-HOTGVXAUSA-N	0	3	321.465	2.512	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCO[C@H]2c2ccnn2C)c1	ZINC000343394754	335161830	/nfs/dbraw/zinc/16/18/30/335161830.db2.gz	HBQIILZUMFQPMC-SJLPKXTDSA-N	0	3	313.401	2.605	20	30		DFEDHN
CC(C)c1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c([O-])c1	ZINC000271227145	334020370	/nfs/dbraw/zinc/02/03/70/334020370.db2.gz	HQRYAYZPDOTNKY-UHFFFAOYSA-N	0	3	317.433	2.823	20	30		DFEDHN
Cc1ccccc1[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)C1CC1	ZINC000272028394	334029812	/nfs/dbraw/zinc/02/98/12/334029812.db2.gz	MQCSTGWFSHAULU-RTBURBONSA-N	0	3	311.429	2.844	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC(C)(C#N)CC2)c1	ZINC000272365707	334033843	/nfs/dbraw/zinc/03/38/43/334033843.db2.gz	CQOQZXIDZNJPEN-UHFFFAOYSA-N	0	3	314.433	2.583	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NCCCC#N)c1ccsc1	ZINC000273161948	334043632	/nfs/dbraw/zinc/04/36/32/334043632.db2.gz	NUKYXYYOHJGWGS-AWEZNQCLSA-N	0	3	308.451	2.734	20	30		DFEDHN
C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000274671679	334065095	/nfs/dbraw/zinc/06/50/95/334065095.db2.gz	YAMDOSLPAGVNMP-DMDPSCGWSA-N	0	3	310.394	2.572	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1	ZINC000275582695	334072107	/nfs/dbraw/zinc/07/21/07/334072107.db2.gz	IFTDGUMZYXPTGZ-BPQIPLTHSA-N	0	3	313.445	2.920	20	30		DFEDHN
CN1C(=O)C[C@@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000276934812	334085698	/nfs/dbraw/zinc/08/56/98/334085698.db2.gz	AYOMHZQBOZEFMC-HIFRSBDPSA-N	0	3	309.772	2.644	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)nc1	ZINC000278537982	334097674	/nfs/dbraw/zinc/09/76/74/334097674.db2.gz	FXUDDINLZTZPMU-OAGGEKHMSA-N	0	3	312.417	2.733	20	30		DFEDHN
N#CC1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1	ZINC000278539815	334097857	/nfs/dbraw/zinc/09/78/57/334097857.db2.gz	GGBWPWDTASEEKZ-IBGZPJMESA-N	0	3	313.445	2.513	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000278864975	334102528	/nfs/dbraw/zinc/10/25/28/334102528.db2.gz	WPBNBJZEQCVKSO-GOEBONIOSA-N	0	3	315.417	2.811	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1	ZINC000414821056	334108488	/nfs/dbraw/zinc/10/84/88/334108488.db2.gz	DRTBNFIOBUGEOS-OLZOCXBDSA-N	0	3	300.406	2.702	20	30		DFEDHN
CC(C)(C)SCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280174036	334114763	/nfs/dbraw/zinc/11/47/63/334114763.db2.gz	SQCKCHPAWKHEBA-HNNXBMFYSA-N	0	3	315.442	2.888	20	30		DFEDHN
CCCN(CC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000284230718	334142876	/nfs/dbraw/zinc/14/28/76/334142876.db2.gz	VDCDDDHIZBZXCF-GOSISDBHSA-N	0	3	301.434	2.513	20	30		DFEDHN
C=CCCCCNC(=O)C1CCN(Cc2cccnc2)CC1	ZINC000366643120	334154917	/nfs/dbraw/zinc/15/49/17/334154917.db2.gz	OTQSCLMUHHPCSJ-UHFFFAOYSA-N	0	3	301.434	2.766	20	30		DFEDHN
N#CCCn1cc(CNCC2=CCCOC2)c(-c2ccccc2)n1	ZINC000288365678	334159974	/nfs/dbraw/zinc/15/99/74/334159974.db2.gz	DLYRVSVAWBGXRX-UHFFFAOYSA-N	0	3	322.412	2.900	20	30		DFEDHN
CC[C@@](C)(C#N)c1nc(-c2ccccc2OCCN(C)C)no1	ZINC000289010820	334162975	/nfs/dbraw/zinc/16/29/75/334162975.db2.gz	KJKVJTQFUADFRE-KRWDZBQOSA-N	0	3	314.389	2.868	20	30		DFEDHN
COc1cccc([C@H](CNC(=O)CCCC#N)N2CCCC2)c1	ZINC000290907042	334175080	/nfs/dbraw/zinc/17/50/80/334175080.db2.gz	FWPUQEJXXRIQOU-KRWDZBQOSA-N	0	3	315.417	2.642	20	30		DFEDHN
COc1ccc([C@H](CN2CCCC2)NC(=O)CCCC#N)cc1	ZINC000291787727	334181777	/nfs/dbraw/zinc/18/17/77/334181777.db2.gz	YBGNZDQKSWWBLT-KRWDZBQOSA-N	0	3	315.417	2.642	20	30		DFEDHN
N#CCN(C(=O)C1C[C@@H](c2ccccc2)OC1=O)C1CCCC1	ZINC000291943325	334183268	/nfs/dbraw/zinc/18/32/68/334183268.db2.gz	NNDREAKVTSQMOC-HOTGVXAUSA-N	0	3	312.369	2.586	20	30		DFEDHN
N#CCOc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1	ZINC000292162894	334185182	/nfs/dbraw/zinc/18/51/82/334185182.db2.gz	OTNWVPHFYKEUBE-KRWDZBQOSA-N	0	3	300.402	2.837	20	30		DFEDHN
COc1ccc(CNC[C@@H](OC)C2CC2)cc1OCCCC#N	ZINC000292951882	334194688	/nfs/dbraw/zinc/19/46/88/334194688.db2.gz	ITOZUURRHWKXMX-GOSISDBHSA-N	0	3	318.417	2.892	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]1c1cccc2c1OCCO2	ZINC000293163089	334196262	/nfs/dbraw/zinc/19/62/62/334196262.db2.gz	RNWJOYBZPMTBJX-OAHLLOKOSA-N	0	3	302.374	2.525	20	30		DFEDHN
N#CCCCCNCc1c(Cl)cccc1N1CCOCC1	ZINC000293706110	334201272	/nfs/dbraw/zinc/20/12/72/334201272.db2.gz	XMVBHZBSAMUCBC-UHFFFAOYSA-N	0	3	307.825	2.960	20	30		DFEDHN
C=CC[C@H](C)NC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000340440210	334202014	/nfs/dbraw/zinc/20/20/14/334202014.db2.gz	HYGFWEDDSXNNLX-SDDRHHMPSA-N	0	3	306.372	2.976	20	30		DFEDHN
C=CC[C@H](C)NC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000340440212	334202221	/nfs/dbraw/zinc/20/22/21/334202221.db2.gz	HYGFWEDDSXNNLX-SRVKXCTJSA-N	0	3	306.372	2.976	20	30		DFEDHN
N#CCCC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1	ZINC000340444721	334203655	/nfs/dbraw/zinc/20/36/55/334203655.db2.gz	ISPWSPODSSPQCO-JKSUJKDBSA-N	0	3	306.431	2.588	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)[C@@H]1CC[C@@H](C#N)C1	ZINC000294171881	334206538	/nfs/dbraw/zinc/20/65/38/334206538.db2.gz	PZBNXHHOBUZTMH-YSHGAJCASA-N	0	3	313.445	2.682	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN(C2CC2)C1	ZINC000295220424	334220894	/nfs/dbraw/zinc/22/08/94/334220894.db2.gz	AKDFSJGMSSSOGT-HNNXBMFYSA-N	0	3	323.440	2.798	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CC1(O)CCCCC1)C(C)C	ZINC000340506502	334224473	/nfs/dbraw/zinc/22/44/73/334224473.db2.gz	QYDDBFZUWBTJIJ-KRWDZBQOSA-N	0	3	322.493	2.887	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000119727606	334284868	/nfs/dbraw/zinc/28/48/68/334284868.db2.gz	NJOJJKYJBZCRLQ-AEFFLSMTSA-N	0	3	316.445	2.606	20	30		DFEDHN
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCNCC1	ZINC000415159622	334318251	/nfs/dbraw/zinc/31/82/51/334318251.db2.gz	KAFDHBCYUNXOBT-ZDUSSCGKSA-N	0	3	318.446	2.908	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1	ZINC000042220686	334333151	/nfs/dbraw/zinc/33/31/51/334333151.db2.gz	ZFOYRZODCHLPFY-GHMZBOCLSA-N	0	3	311.223	2.790	20	30		DFEDHN
CC(C#N)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1	ZINC000353640607	334349686	/nfs/dbraw/zinc/34/96/86/334349686.db2.gz	BALHMSBIZGRHDX-WCQYABFASA-N	0	3	321.218	3.000	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)c2cc(C)sc2C)CC1	ZINC000050029253	334362867	/nfs/dbraw/zinc/36/28/67/334362867.db2.gz	VFVUYFVPOQQBAE-CYBMUJFWSA-N	0	3	304.459	2.887	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CCO)CC2)cc1OC	ZINC000535069016	334363771	/nfs/dbraw/zinc/36/37/71/334363771.db2.gz	WLANYGVGNAJWPR-UHFFFAOYSA-N	0	3	305.418	2.854	20	30		DFEDHN
C=CCOc1ccccc1CNCCc1cn2c(n1)SCC2	ZINC000341559757	334452433	/nfs/dbraw/zinc/45/24/33/334452433.db2.gz	PQQCSMCXXZYOKU-UHFFFAOYSA-N	0	3	315.442	2.886	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cncc(OC(C)C)c2)CC1	ZINC000164412701	334492203	/nfs/dbraw/zinc/49/22/03/334492203.db2.gz	GGXUYZIJYNCTMU-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
CC1CC(C#N)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1	ZINC000532065425	334718225	/nfs/dbraw/zinc/71/82/25/334718225.db2.gz	HMODTWFVLVVPCH-URSIVYNOSA-N	0	3	311.429	2.880	20	30		DFEDHN
C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1nccs1	ZINC000328726647	334753829	/nfs/dbraw/zinc/75/38/29/334753829.db2.gz	ZSJUIGSOSCPVLE-UWVGGRQHSA-N	0	3	308.407	2.751	20	30		DFEDHN
CC(C)c1nn(C)cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1	ZINC000331249786	334850949	/nfs/dbraw/zinc/85/09/49/334850949.db2.gz	RXLJHJXMUKNPED-ZDUSSCGKSA-N	0	3	321.469	2.751	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CCC(C)CC2)cc1	ZINC000448704731	338472621	/nfs/dbraw/zinc/47/26/21/338472621.db2.gz	OIPVCOLXSFVRAR-UHFFFAOYSA-N	0	3	316.445	2.642	20	30		DFEDHN
CS[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1N(C)C	ZINC000343658769	335185786	/nfs/dbraw/zinc/18/57/86/335185786.db2.gz	JYLNXBCTHMYFOD-JKSUJKDBSA-N	0	3	308.878	2.669	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1N(C)C	ZINC000343658767	335185869	/nfs/dbraw/zinc/18/58/69/335185869.db2.gz	JYLNXBCTHMYFOD-HOTGVXAUSA-N	0	3	308.878	2.669	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000343718838	335186337	/nfs/dbraw/zinc/18/63/37/335186337.db2.gz	FKFAMPLCUNADLG-GOEBONIOSA-N	0	3	320.433	2.529	20	30		DFEDHN
COC[C@H]1C[C@@H](OC)CN1Cc1ccccc1C(C)(C)C#N	ZINC000344361562	335244448	/nfs/dbraw/zinc/24/44/48/335244448.db2.gz	HFNDHQZHWHJFDZ-HZPDHXFCSA-N	0	3	302.418	2.723	20	30		DFEDHN
C=C[C@H](CC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C)c1ccccc1	ZINC000344522928	335255099	/nfs/dbraw/zinc/25/50/99/335255099.db2.gz	UAZSMIAHSFANTA-BPQIPLTHSA-N	0	3	316.445	2.524	20	30		DFEDHN
CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)C(C)C#N	ZINC000344683311	335266229	/nfs/dbraw/zinc/26/62/29/335266229.db2.gz	ARSQIUFMBDARLC-CYBMUJFWSA-N	0	3	310.401	2.773	20	30		DFEDHN
CC1(C)c2ccc(C(=O)C(C#N)c3ccccn3)cc2NC1=O	ZINC000344738163	335272358	/nfs/dbraw/zinc/27/23/58/335272358.db2.gz	LOGWNJGPRBWPNI-GFCCVEGCSA-N	0	3	305.337	2.801	20	30		DFEDHN
Cc1cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c(C)s1	ZINC000345112066	335299120	/nfs/dbraw/zinc/29/91/20/335299120.db2.gz	LANXEXVJJQNRRZ-VXGBXAGGSA-N	0	3	305.447	2.967	20	30		DFEDHN
C#CCCN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1	ZINC000366898055	335320912	/nfs/dbraw/zinc/32/09/12/335320912.db2.gz	YXXCOIYRIXHECQ-GOSISDBHSA-N	0	3	302.462	2.903	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000345381727	335321894	/nfs/dbraw/zinc/32/18/94/335321894.db2.gz	PBJMMQXWLRRFBF-YJBOKZPZSA-N	0	3	318.461	2.949	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000345741811	335347342	/nfs/dbraw/zinc/34/73/42/335347342.db2.gz	INLBLQNONCBLBB-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)n(C)n1	ZINC000345768152	335349964	/nfs/dbraw/zinc/34/99/64/335349964.db2.gz	CGCATZQMCWVHDO-CQSZACIVSA-N	0	3	310.401	2.638	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CCCc3sc(C)nc32)CC1	ZINC000345879053	335357661	/nfs/dbraw/zinc/35/76/61/335357661.db2.gz	DOZYZRZZLLKODI-AWEZNQCLSA-N	0	3	319.474	2.638	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CCCc3sc(C)nc32)CC1	ZINC000345879060	335357699	/nfs/dbraw/zinc/35/76/99/335357699.db2.gz	DOZYZRZZLLKODI-CQSZACIVSA-N	0	3	319.474	2.638	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NC[C@H](Cc1ccccc1)N(C)C	ZINC000346070878	335372476	/nfs/dbraw/zinc/37/24/76/335372476.db2.gz	RFZOUVRKXBHQJO-IRXDYDNUSA-N	0	3	303.450	2.813	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C)C[C@@H]1CCCCO1	ZINC000346225175	335385940	/nfs/dbraw/zinc/38/59/40/335385940.db2.gz	MKYQDDOIRKJRQO-ROUUACIJSA-N	0	3	319.445	2.656	20	30		DFEDHN
C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H](C)C1	ZINC000346283485	335392042	/nfs/dbraw/zinc/39/20/42/335392042.db2.gz	XEGSUMZHSREZTC-MPGHIAIKSA-N	0	3	311.429	2.555	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(CC#N)cc2)C[C@@H](C)C1	ZINC000346283482	335392234	/nfs/dbraw/zinc/39/22/34/335392234.db2.gz	XEGSUMZHSREZTC-DAYGRLMNSA-N	0	3	311.429	2.555	20	30		DFEDHN
C=C(C)COCCNCc1c(C(C)C)nc2sc(C)nn12	ZINC000346706560	335434450	/nfs/dbraw/zinc/43/44/50/335434450.db2.gz	NSWWJCLYFMMRMW-UHFFFAOYSA-N	0	3	308.451	2.905	20	30		DFEDHN
C=CCOCCCN1CCC(C(=O)OC)(c2ccccc2)CC1	ZINC000348023557	335542674	/nfs/dbraw/zinc/54/26/74/335542674.db2.gz	BDKPMWJSRHRUSJ-UHFFFAOYSA-N	0	3	317.429	2.786	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)NC2(CCCC2)C1=O)C(C)C	ZINC000348147215	335557591	/nfs/dbraw/zinc/55/75/91/335557591.db2.gz	SPNMOLRUSFFMLB-HNNXBMFYSA-N	0	3	319.449	2.550	20	30		DFEDHN
C=CC1CCN([C@@H](C)C(=O)NCCc2ccccc2C)CC1	ZINC000348178494	335560485	/nfs/dbraw/zinc/56/04/85/335560485.db2.gz	DWWJSXZJWGIYFA-INIZCTEOSA-N	0	3	300.446	2.940	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000348469413	335588941	/nfs/dbraw/zinc/58/89/41/335588941.db2.gz	NGXZHVOWEBYRBZ-UONOGXRCSA-N	0	3	309.479	2.593	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](C)CO[C@@H]2CCOC2)cc1	ZINC000166433519	335683597	/nfs/dbraw/zinc/68/35/97/335683597.db2.gz	IHOWBPYSRYABCH-RVKKMQEKSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1	ZINC000350025616	335719033	/nfs/dbraw/zinc/71/90/33/335719033.db2.gz	GHNCFLOWTGTSRZ-KBXCAEBGSA-N	0	3	313.445	2.870	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000350725608	335776641	/nfs/dbraw/zinc/77/66/41/335776641.db2.gz	ZFFWZZVVNWEAAQ-PKSQDBQZSA-N	0	3	319.371	2.665	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](OCC)c2ccccc2)CC1	ZINC000106034258	335792922	/nfs/dbraw/zinc/79/29/22/335792922.db2.gz	VMAUCEVDMGKKIT-SFHVURJKSA-N	0	3	316.445	2.921	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCCCCC1	ZINC000329094751	335939829	/nfs/dbraw/zinc/93/98/29/335939829.db2.gz	BDNNUNASJSAHOH-INMHGKMJSA-N	0	3	310.438	2.546	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C	ZINC000351071785	336011656	/nfs/dbraw/zinc/01/16/56/336011656.db2.gz	FPUROCLTWOIVDC-HUUCEWRRSA-N	0	3	305.470	2.582	20	30		DFEDHN
C=C(C)CN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000351549990	336042723	/nfs/dbraw/zinc/04/27/23/336042723.db2.gz	FHJPYMZTWPIRJX-UHFFFAOYSA-N	0	3	316.445	2.539	20	30		DFEDHN
C=CCCCCNC(=O)NC1CCN(CCOC(C)C)CC1	ZINC000351688284	336058457	/nfs/dbraw/zinc/05/84/57/336058457.db2.gz	XMRUPLSQHPHURP-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C1CC1)N1CCC(C)CC1	ZINC000329751324	336077985	/nfs/dbraw/zinc/07/79/85/336077985.db2.gz	IUOPPOHWFXMFBO-UWWQBHOKSA-N	0	3	323.481	2.568	20	30		DFEDHN
C[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C1CC1)N1CCC[C@@H](C)C1	ZINC000329766409	336079308	/nfs/dbraw/zinc/07/93/08/336079308.db2.gz	YDIIDNADIRZJDS-AHEZYBDSSA-N	0	3	323.481	2.568	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1nc2c(s1)CCCC2	ZINC000329812523	336084998	/nfs/dbraw/zinc/08/49/98/336084998.db2.gz	SCCXVGMIUGQTIZ-MFKMUULPSA-N	0	3	320.462	2.831	20	30		DFEDHN
O=C(Cc1ccc2c[nH]nc2c1)NCCN1CCCCCC1	ZINC000329995955	336104012	/nfs/dbraw/zinc/10/40/12/336104012.db2.gz	OATBVYWMNFJMLG-UHFFFAOYSA-N	0	3	300.406	2.938	20	30		DFEDHN
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC1(N2CCCC2)CCOCC1	ZINC000330027479	336107290	/nfs/dbraw/zinc/10/72/90/336107290.db2.gz	NELBXDRERGTGCA-LSDHHAIUSA-N	0	3	322.449	2.593	20	30		DFEDHN
N#Cc1cnc(C(=O)NC2CC(N3CCCCC3)C2)c(Cl)c1	ZINC000330072081	336111231	/nfs/dbraw/zinc/11/12/31/336111231.db2.gz	YTAAMTDTNRHSQI-UHFFFAOYSA-N	0	3	318.808	2.928	20	30		DFEDHN
C[C@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@@H](C)C1	ZINC000330193355	336122889	/nfs/dbraw/zinc/12/28/89/336122889.db2.gz	AJOJWHXADBOHIX-BZUAXINKSA-N	0	3	323.481	2.712	20	30		DFEDHN
CC(C)[C@@H](CC(F)(F)F)NCC(=O)NC1(C#N)CCCCC1	ZINC000445893695	338514650	/nfs/dbraw/zinc/51/46/50/338514650.db2.gz	MBXONJGBVMXXLC-GFCCVEGCSA-N	0	3	319.371	2.896	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cn1	ZINC000330272336	336132078	/nfs/dbraw/zinc/13/20/78/336132078.db2.gz	XMJCNVRTKQTEAG-WFBYXXMGSA-N	0	3	309.797	2.869	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)N2CCCC23CCN(C)CC3)o1	ZINC000330273144	336132223	/nfs/dbraw/zinc/13/22/23/336132223.db2.gz	YTJOTVBHBXCAOH-UHFFFAOYSA-N	0	3	320.437	2.520	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000331750403	336147285	/nfs/dbraw/zinc/14/72/85/336147285.db2.gz	GDFWHLLRIQEBIJ-WFASDCNBSA-N	0	3	311.385	2.916	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCCCC2)CC1	ZINC000332318735	336167988	/nfs/dbraw/zinc/16/79/88/336167988.db2.gz	VKJLEJONOFCXLD-IRXDYDNUSA-N	0	3	318.465	2.586	20	30		DFEDHN
CCCN1CCN(c2ccccc2CN(C)C[C@@H](C)C#N)CC1	ZINC000352097158	336194698	/nfs/dbraw/zinc/19/46/98/336194698.db2.gz	OAFJKCORSCQGKR-KRWDZBQOSA-N	0	3	314.477	2.810	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333520913	336205061	/nfs/dbraw/zinc/20/50/61/336205061.db2.gz	GYQKCJYDHDFWEG-CRAIPNDOSA-N	0	3	303.450	2.841	20	30		DFEDHN
C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC(C)CC1	ZINC000352341038	336213299	/nfs/dbraw/zinc/21/32/99/336213299.db2.gz	UWSXBBVWRRJGPW-HNNXBMFYSA-N	0	3	308.470	2.736	20	30		DFEDHN
C[C@H](CNC(=O)NCC(C)(C)CCC#N)N1CCC(C)CC1	ZINC000352341039	336213334	/nfs/dbraw/zinc/21/33/34/336213334.db2.gz	UWSXBBVWRRJGPW-OAHLLOKOSA-N	0	3	308.470	2.736	20	30		DFEDHN
C=C(C)CCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000352420835	336217559	/nfs/dbraw/zinc/21/75/59/336217559.db2.gz	HKARSPUQSMMPRQ-SJORKVTESA-N	0	3	312.413	2.602	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000352446031	336219398	/nfs/dbraw/zinc/21/93/98/336219398.db2.gz	ATMKAIGEKSSUQW-KRWDZBQOSA-N	0	3	313.397	2.911	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OCc2csc(C)n2)cc1	ZINC000352472652	336221019	/nfs/dbraw/zinc/22/10/19/336221019.db2.gz	IHJPNFFOHAUDOG-CQSZACIVSA-N	0	3	304.415	2.667	20	30		DFEDHN
C#CCOc1ccccc1CN[C@H]1CCc2nc(C(C)C)nn2C1	ZINC000105908201	336388187	/nfs/dbraw/zinc/38/81/87/336388187.db2.gz	PGRPQIXQYMZYSZ-INIZCTEOSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=CCC[C@H](O)CN[C@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000353156867	336404934	/nfs/dbraw/zinc/40/49/34/336404934.db2.gz	SXPVRUPDIWFRJS-DOTOQJQBSA-N	0	3	309.381	2.521	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CN1CCC(C)CC1	ZINC000353630720	336430082	/nfs/dbraw/zinc/43/00/82/336430082.db2.gz	YESMBCGLORJSHB-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@H](C)CN(C)C)c1ccc(F)c(F)c1	ZINC000355105821	336494822	/nfs/dbraw/zinc/49/48/22/336494822.db2.gz	MNIOVMDZVRXMES-ABAIWWIYSA-N	0	3	311.376	2.831	20	30		DFEDHN
C=CCCO[C@H](C)c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000357944611	336604031	/nfs/dbraw/zinc/60/40/31/336604031.db2.gz	HZRNOXBBOIMXMY-AGIUHOORSA-N	0	3	304.394	2.579	20	30		DFEDHN
C=CCn1c(SC[C@H](C)N(C)C)nc2ccccc2c1=O	ZINC000358853305	336645209	/nfs/dbraw/zinc/64/52/09/336645209.db2.gz	LXFSLBZWVAFWSH-LBPRGKRZSA-N	0	3	303.431	2.625	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)NCC1(CC#N)CC1	ZINC000359083071	336656912	/nfs/dbraw/zinc/65/69/12/336656912.db2.gz	FUVCBTTTYAEODH-UHFFFAOYSA-N	0	3	320.481	2.978	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@H](OC)C1(CC)CC	ZINC000359430511	336672743	/nfs/dbraw/zinc/67/27/43/336672743.db2.gz	JKNGGTNWFUCVBE-XHSDSOJGSA-N	0	3	308.466	2.759	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)N(C)C)cc1	ZINC000360066767	336700028	/nfs/dbraw/zinc/70/00/28/336700028.db2.gz	SBCYYTJQIDBZIB-ZACQAIPSSA-N	0	3	314.433	2.589	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)c1cccc(CN(C)C)c1	ZINC000360088173	336701407	/nfs/dbraw/zinc/70/14/07/336701407.db2.gz	GQIMYVSBSSYREB-UHFFFAOYSA-N	0	3	300.324	2.939	20	30		DFEDHN
CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1	ZINC000360566250	336714729	/nfs/dbraw/zinc/71/47/29/336714729.db2.gz	GZECLMWRVJRTLZ-WMLDXEAASA-N	0	3	301.434	2.764	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NCC1(SC)CCN(C)CC1	ZINC000360691128	336719134	/nfs/dbraw/zinc/71/91/34/336719134.db2.gz	HNCIENPJCABCLR-AWEZNQCLSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=CCN(C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C)C1CC1	ZINC000367389039	336776326	/nfs/dbraw/zinc/77/63/26/336776326.db2.gz	FTLYESCUQSAILS-MSOLQXFVSA-N	0	3	313.445	2.964	20	30		DFEDHN
C=CCCOCCN[C@@H]1CCN(C(C)=O)Cc2ccccc21	ZINC000361921406	336778035	/nfs/dbraw/zinc/77/80/35/336778035.db2.gz	HVGBEFFNUQSXLT-GOSISDBHSA-N	0	3	302.418	2.662	20	30		DFEDHN
C#CCOc1ccccc1CNC[C@@H]1CC(=O)Nc2ccccc21	ZINC000362862734	336813522	/nfs/dbraw/zinc/81/35/22/336813522.db2.gz	SCNCFPRWYGBESV-INIZCTEOSA-N	0	3	320.392	2.914	20	30		DFEDHN
C#CCCN1CCC(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1	ZINC000363163830	336819510	/nfs/dbraw/zinc/81/95/10/336819510.db2.gz	CPTPZKYKPCESOQ-UKRRQHHQSA-N	0	3	300.402	2.621	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1	ZINC000368705783	336851030	/nfs/dbraw/zinc/85/10/30/336851030.db2.gz	FTZYVNRJNWWQOK-CEXWTWQISA-N	0	3	315.413	2.515	20	30		DFEDHN
N#CC1(c2ccccn2)CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1	ZINC000369205978	336860408	/nfs/dbraw/zinc/86/04/08/336860408.db2.gz	LEZANFUNORVKOG-HKUYNNGSSA-N	0	3	319.408	2.597	20	30		DFEDHN
C[C@@H](CCCOc1ccccc1C(N)=O)NCC1(C#N)CCC1	ZINC000418145925	336896962	/nfs/dbraw/zinc/89/69/62/336896962.db2.gz	ZNYHJWSTVNHDPZ-AWEZNQCLSA-N	0	3	315.417	2.616	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCCC#N)CC1	ZINC000371691852	336910974	/nfs/dbraw/zinc/91/09/74/336910974.db2.gz	DKLFPNOSWRQBGG-HNNXBMFYSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCc1cc(CN2CCC3(CCO3)CC2)cc(OC)c1O	ZINC000374333445	336987427	/nfs/dbraw/zinc/98/74/27/336987427.db2.gz	SLWAUWVJBGAVEZ-UHFFFAOYSA-N	0	3	303.402	2.884	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1	ZINC000374981036	337000944	/nfs/dbraw/zinc/00/09/44/337000944.db2.gz	QFOVHCFXWJBQPQ-IEBWSBKVSA-N	0	3	316.445	2.778	20	30		DFEDHN
C[C@H]1CSc2ccccc2CN1CCC(=O)N(C)CCC#N	ZINC000375393593	337010095	/nfs/dbraw/zinc/01/00/95/337010095.db2.gz	RDMGSXVWNJHVMC-AWEZNQCLSA-N	0	3	317.458	2.745	20	30		DFEDHN
N#CCCCOc1cccc(CN2CCC[C@H]3COC[C@H]32)c1	ZINC000375706813	337017297	/nfs/dbraw/zinc/01/72/97/337017297.db2.gz	WANNTJXCYKXTBN-FUHWJXTLSA-N	0	3	300.402	2.980	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@@H]2CCc3n[nH]cc3C2)cc1	ZINC000375718208	337017557	/nfs/dbraw/zinc/01/75/57/337017557.db2.gz	HRBBYTUTILJJOL-WBVHZDCISA-N	0	3	310.401	2.910	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(c3cccc(F)c3)C2=O)C1	ZINC000375721748	337017707	/nfs/dbraw/zinc/01/77/07/337017707.db2.gz	WUWNHQYDEMXQMR-UNEWFSDZSA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000375740399	337018405	/nfs/dbraw/zinc/01/84/05/337018405.db2.gz	BPJMIQNVCHWYBH-CVEARBPZSA-N	0	3	323.481	2.626	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@H](c3ccnc(COC)n3)C2)cc1	ZINC000377614215	337056222	/nfs/dbraw/zinc/05/62/22/337056222.db2.gz	HPFXQZSGYLPGMK-SFHVURJKSA-N	0	3	321.424	2.984	20	30		DFEDHN
COC(=O)[C@]1(C(F)(F)F)CCN(CC(C)(C)CCC#N)C1	ZINC000377674510	337058090	/nfs/dbraw/zinc/05/80/90/337058090.db2.gz	NPNVWQQPNHRQSY-ZDUSSCGKSA-N	0	3	306.328	2.744	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CCC2(C1)CCCCCC2	ZINC000378019657	337065204	/nfs/dbraw/zinc/06/52/04/337065204.db2.gz	QHUHLENELHYYPR-UHFFFAOYSA-N	0	3	316.449	2.689	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CC1(C)C	ZINC000378370497	337071088	/nfs/dbraw/zinc/07/10/88/337071088.db2.gz	OOMSUUKGWHLXPF-CJNGLKHVSA-N	0	3	316.401	2.608	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC=C(c2cccc(F)c2)CC1	ZINC000378414480	337072182	/nfs/dbraw/zinc/07/21/82/337072182.db2.gz	JQVSXRVWXSVZBL-UHFFFAOYSA-N	0	3	315.392	2.677	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)c1cnn(CCN2CCCCC2)c1	ZINC000378443895	337072937	/nfs/dbraw/zinc/07/29/37/337072937.db2.gz	KIAAGNSDIROCSE-MRXNPFEDSA-N	0	3	318.465	2.844	20	30		DFEDHN
CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(OCC#N)cc1	ZINC000194174074	337082497	/nfs/dbraw/zinc/08/24/97/337082497.db2.gz	SIFJBGFNOZZGQN-ZIAGYGMSSA-N	0	3	303.406	2.544	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(F)cc2F)CC1	ZINC000171694711	337088299	/nfs/dbraw/zinc/08/82/99/337088299.db2.gz	MVNDSEYYJOFBSP-GFCCVEGCSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)c2cccc(OC)c2)CC1	ZINC000171715493	337088724	/nfs/dbraw/zinc/08/87/24/337088724.db2.gz	IRZWZYGOTZTZCK-CQSZACIVSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000171736916	337089010	/nfs/dbraw/zinc/08/90/10/337089010.db2.gz	GLRJNYCYGQQTTJ-UHFFFAOYSA-N	0	3	318.377	2.675	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnc(OCC)c(Cl)c2)CC1	ZINC000171804650	337089142	/nfs/dbraw/zinc/08/91/42/337089142.db2.gz	PGOOOPFNXKCMFJ-UHFFFAOYSA-N	0	3	323.824	2.514	20	30		DFEDHN
N#CC1(C(=O)N2CCCN(C3CCCC3)CC2)CCCCC1	ZINC000172414496	337128884	/nfs/dbraw/zinc/12/88/84/337128884.db2.gz	POEHSWJZFFHKHP-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000173132449	337134421	/nfs/dbraw/zinc/13/44/21/337134421.db2.gz	HQRSAMNDMKNFFN-GOSISDBHSA-N	0	3	316.445	2.923	20	30		DFEDHN
C#CCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000174110488	337139376	/nfs/dbraw/zinc/13/93/76/337139376.db2.gz	LYUDAQDHMMCFED-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
C#CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000174127127	337139497	/nfs/dbraw/zinc/13/94/97/337139497.db2.gz	ZHZVYRUPVMXKJC-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000174864054	337145154	/nfs/dbraw/zinc/14/51/54/337145154.db2.gz	OHSBUXGNCKZLGY-CQSZACIVSA-N	0	3	301.438	2.734	20	30		DFEDHN
COCCOC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1	ZINC000177351166	337156830	/nfs/dbraw/zinc/15/68/30/337156830.db2.gz	RYOACWHEMVOQAO-MRXNPFEDSA-N	0	3	307.821	2.676	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1	ZINC000178665677	337165801	/nfs/dbraw/zinc/16/58/01/337165801.db2.gz	DXODCAYFNFLWSB-UHFFFAOYSA-N	0	3	319.453	2.701	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2CCc3nc(CC)nn3C2)cc1	ZINC000180629689	337176773	/nfs/dbraw/zinc/17/67/73/337176773.db2.gz	XCOYNXNGWNZWCL-GOEBONIOSA-N	0	3	324.428	2.518	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1OCCCC#N	ZINC000180855252	337178157	/nfs/dbraw/zinc/17/81/57/337178157.db2.gz	HKCDMBVZQHRMKA-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
CC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc(C)cc1	ZINC000182410740	337188384	/nfs/dbraw/zinc/18/83/84/337188384.db2.gz	RCOFJJGPPDBNQW-KRWDZBQOSA-N	0	3	312.417	2.692	20	30		DFEDHN
CN1CCN(Cc2cccc(N[C@@H]3CCC[C@@H](C#N)C3)c2)CC1	ZINC000185728995	337250843	/nfs/dbraw/zinc/25/08/43/337250843.db2.gz	HOQFMXFHIFDIBK-SJLPKXTDSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc2oc(C(=O)OC)cc2c1	ZINC000191136170	337294393	/nfs/dbraw/zinc/29/43/93/337294393.db2.gz	HHMIBFQDCHOLBH-UHFFFAOYSA-N	0	3	303.358	2.854	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sc(CC3CC3)nc2C)CC1	ZINC000191546867	337298986	/nfs/dbraw/zinc/29/89/86/337298986.db2.gz	IKEWXVPMGGSYHP-UHFFFAOYSA-N	0	3	319.474	2.784	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCO[C@H]1C)C(C)C	ZINC000191697672	337300561	/nfs/dbraw/zinc/30/05/61/337300561.db2.gz	HNSVWHOZFTXGKH-ULQDDVLXSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C	ZINC000053644292	337451776	/nfs/dbraw/zinc/45/17/76/337451776.db2.gz	PDBNTCUIPHRIKM-OAHLLOKOSA-N	0	3	321.396	2.514	20	30		DFEDHN
C=C(CC)CN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419269798	337477111	/nfs/dbraw/zinc/47/71/11/337477111.db2.gz	PRQFZTYLIIVXPY-ZDUSSCGKSA-N	0	3	300.324	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)Cc2cccs2)CC1	ZINC000078545573	337601649	/nfs/dbraw/zinc/60/16/49/337601649.db2.gz	VNBLLWJZXNBNGG-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1ccncc1)C(C)C	ZINC000079042129	337613454	/nfs/dbraw/zinc/61/34/54/337613454.db2.gz	NQTWFPQDWMXISP-QGZVFWFLSA-N	0	3	316.449	2.579	20	30		DFEDHN
C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1	ZINC000162757046	337664035	/nfs/dbraw/zinc/66/40/35/337664035.db2.gz	VLVQRRJWCDFRGI-GXTWGEPZSA-N	0	3	313.319	2.951	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCCC#N	ZINC000424060716	337730935	/nfs/dbraw/zinc/73/09/35/337730935.db2.gz	DBUVUFZEBZZLBD-LBPRGKRZSA-N	0	3	311.838	2.937	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Br	ZINC000424069645	337731085	/nfs/dbraw/zinc/73/10/85/337731085.db2.gz	VYXYBVHGQXUXLP-MFKMUULPSA-N	0	3	324.222	2.647	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)C12CC3CC(CC(C3)C1)C2	ZINC000424071723	337731168	/nfs/dbraw/zinc/73/11/68/337731168.db2.gz	BZPFDESOGDDPBZ-CDJLDAARSA-N	0	3	303.450	2.729	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000424089371	337732250	/nfs/dbraw/zinc/73/22/50/337732250.db2.gz	VWUZICNQUCJOMC-AWEZNQCLSA-N	0	3	318.808	2.501	20	30		DFEDHN
CN(CCCOc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N	ZINC000424092458	337732919	/nfs/dbraw/zinc/73/29/19/337732919.db2.gz	PELFJUNARFQQQZ-OAHLLOKOSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1c(Cl)cccc1Cl	ZINC000424099948	337736536	/nfs/dbraw/zinc/73/65/36/337736536.db2.gz	JROOWKCYWKEYRO-ZDUSSCGKSA-N	0	3	314.216	2.673	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCCC1	ZINC000424110830	337738794	/nfs/dbraw/zinc/73/87/94/337738794.db2.gz	ZYMIRKHYAODSFI-OAHLLOKOSA-N	0	3	303.381	2.732	20	30		DFEDHN
CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@@H](N)CCCC#N)CC1	ZINC000424120386	337744400	/nfs/dbraw/zinc/74/44/00/337744400.db2.gz	HAKWKAXIUJSTNJ-BACDZXNISA-N	0	3	321.465	2.594	20	30		DFEDHN
CC(C)c1ccc(CCCNC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424121184	337745708	/nfs/dbraw/zinc/74/57/08/337745708.db2.gz	FTGXTLXJZQQVME-KRWDZBQOSA-N	0	3	301.434	2.880	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424124138	337748645	/nfs/dbraw/zinc/74/86/45/337748645.db2.gz	LMXQHAADSGYXPL-DLBZAZTESA-N	0	3	319.424	2.872	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H](N)CCCC#N)C1	ZINC000424127497	337749861	/nfs/dbraw/zinc/74/98/61/337749861.db2.gz	PYLQIYNHNPBWHN-KCXAZCMYSA-N	0	3	303.381	2.756	20	30		DFEDHN
CN(C(=O)[C@@H](N)CCCC#N)c1cccc(OC(F)(F)F)c1	ZINC000424134273	337752891	/nfs/dbraw/zinc/75/28/91/337752891.db2.gz	HREGULRPZYIZRN-LBPRGKRZSA-N	0	3	315.295	2.569	20	30		DFEDHN
Cc1c(C)c(C)c(CNC(=O)[C@@H](N)CCCC#N)c(C)c1C	ZINC000424170013	337792544	/nfs/dbraw/zinc/79/25/44/337792544.db2.gz	IMZQGRMXRIPRQI-KRWDZBQOSA-N	0	3	301.434	2.866	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2ccccc2CC1	ZINC000532978585	337805099	/nfs/dbraw/zinc/80/50/99/337805099.db2.gz	HSKBLDJIEQDSQI-MRXNPFEDSA-N	0	3	300.446	2.900	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000424502576	337843815	/nfs/dbraw/zinc/84/38/15/337843815.db2.gz	QZEMTLUCVXENMK-MSOLQXFVSA-N	0	3	320.477	2.692	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCSC(C)(C)C2)CC1	ZINC000083651102	337995969	/nfs/dbraw/zinc/99/59/69/337995969.db2.gz	LQFWTLKQPLWQKW-UHFFFAOYSA-N	0	3	311.495	2.564	20	30		DFEDHN
COCCN(C)c1ccc(CN2CCC(CCC#N)CC2)cn1	ZINC000516066084	338003414	/nfs/dbraw/zinc/00/34/14/338003414.db2.gz	MQQUOGZSHMCGND-UHFFFAOYSA-N	0	3	316.449	2.680	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(CC#N)CC1	ZINC000516153038	338005545	/nfs/dbraw/zinc/00/55/45/338005545.db2.gz	OHERVAYZJYDZGH-KRWDZBQOSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC(C)(C)O1)C(C)C	ZINC000426421765	338031869	/nfs/dbraw/zinc/03/18/69/338031869.db2.gz	SRTVSYYPADFRDZ-HOTGVXAUSA-N	0	3	308.466	2.759	20	30		DFEDHN
C=C[C@H]1CCCCN1Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC000426566919	338034849	/nfs/dbraw/zinc/03/48/49/338034849.db2.gz	HUNKUYHQXLGLEC-INIZCTEOSA-N	0	3	319.449	2.992	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@](O)(CC)C2)ccc1OC	ZINC000428436779	338051403	/nfs/dbraw/zinc/05/14/03/338051403.db2.gz	RFKBQINUKNUMJD-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCC[C@@H](C(=O)NCCNc1ccncc1)c1ccccc1	ZINC000429022795	338069193	/nfs/dbraw/zinc/06/91/93/338069193.db2.gz	TYCOCRIFWCYXEF-GOSISDBHSA-N	0	3	309.413	2.782	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cc([N+](=O)[O-])ccc1OC	ZINC000429700118	338087610	/nfs/dbraw/zinc/08/76/10/338087610.db2.gz	HHXTUIDUOXTIMC-UHFFFAOYSA-N	0	3	307.394	2.543	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)sc1C	ZINC000429722314	338088401	/nfs/dbraw/zinc/08/84/01/338088401.db2.gz	SNGZTMPKWHDNTR-UHFFFAOYSA-N	0	3	310.463	2.783	20	30		DFEDHN
CC(C)(CCC#N)CN1CCC2(CC1)CCS(=O)(=O)CC2	ZINC000430208414	338101404	/nfs/dbraw/zinc/10/14/04/338101404.db2.gz	OTTRDRCVLDGDDV-UHFFFAOYSA-N	0	3	312.479	2.607	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)NCC1(CC#N)CC1	ZINC000431199486	338125754	/nfs/dbraw/zinc/12/57/54/338125754.db2.gz	XTXOIGSRZBMMOR-UHFFFAOYSA-N	0	3	320.481	2.834	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)[C@]2(C#N)C[C@@H]2C)CC1	ZINC000448725028	338168498	/nfs/dbraw/zinc/16/84/98/338168498.db2.gz	JMKANYSXCNZVRI-KXBFYZLASA-N	0	3	311.429	2.625	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1	ZINC000433018509	338176435	/nfs/dbraw/zinc/17/64/35/338176435.db2.gz	ICBANXKHFSBBSH-HKUYNNGSSA-N	0	3	324.428	2.820	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCCOCC1CC1	ZINC000433159263	338183361	/nfs/dbraw/zinc/18/33/61/338183361.db2.gz	DIDXBYCBGBWSAG-KRWDZBQOSA-N	0	3	300.402	2.692	20	30		DFEDHN
COC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000433348923	338193548	/nfs/dbraw/zinc/19/35/48/338193548.db2.gz	AFGOQAQYSBJETL-SJORKVTESA-N	0	3	300.402	2.644	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CCCCO1	ZINC000433374726	338194100	/nfs/dbraw/zinc/19/41/00/338194100.db2.gz	VVIZIOISSOVKCO-DLBZAZTESA-N	0	3	300.402	2.834	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCSC(C)(C)C1	ZINC000435582947	338242747	/nfs/dbraw/zinc/24/27/47/338242747.db2.gz	HAGABRGQSWPRDB-INIZCTEOSA-N	0	3	321.486	2.982	20	30		DFEDHN
C[S@](=O)C1(CNCc2cccc(OCCCC#N)c2)CCC1	ZINC000435749426	338247772	/nfs/dbraw/zinc/24/77/72/338247772.db2.gz	JDCMJRZUIAFAIE-QFIPXVFZSA-N	0	3	320.458	2.760	20	30		DFEDHN
C=CCN(C)Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000154791760	338252803	/nfs/dbraw/zinc/25/28/03/338252803.db2.gz	ZYMLZYNQEZDVMR-AWEZNQCLSA-N	0	3	320.433	2.559	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)N1CCCCC1	ZINC000437625600	338316411	/nfs/dbraw/zinc/31/64/11/338316411.db2.gz	DHDBDEHMTMZFIF-HZPDHXFCSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)Cc1ccc(CN(C)C)cc1	ZINC000448888214	338578517	/nfs/dbraw/zinc/57/85/17/338578517.db2.gz	ZKWFTUWRAFWPIE-MSOLQXFVSA-N	0	3	316.445	2.688	20	30		DFEDHN
C=CCOc1cccc(CN[C@H](C(=O)N(C)CC)C(C)C)c1	ZINC000449441297	338624346	/nfs/dbraw/zinc/62/43/46/338624346.db2.gz	QNHZXFCAZPAGCG-KRWDZBQOSA-N	0	3	304.434	2.844	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000449889733	338657367	/nfs/dbraw/zinc/65/73/67/338657367.db2.gz	DTRBMCOXXNWFMQ-MEDUHNTESA-N	0	3	321.808	2.769	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)N(C)C)cc1	ZINC000452169667	338756217	/nfs/dbraw/zinc/75/62/17/338756217.db2.gz	OUQWCXQFCLMPFP-YLQAJVPDSA-N	0	3	317.458	2.677	20	30		DFEDHN
C=CC(C)(C)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000452778641	338779018	/nfs/dbraw/zinc/77/90/18/338779018.db2.gz	YJNFCBKIFSFXDC-UHFFFAOYSA-N	0	3	315.461	2.771	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)CC)CC1	ZINC000453457270	338843465	/nfs/dbraw/zinc/84/34/65/338843465.db2.gz	XPMGAIDHZMCCDD-HNNXBMFYSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cnc(C)cc2C)CC1	ZINC000454459546	338864197	/nfs/dbraw/zinc/86/41/97/338864197.db2.gz	HCXLJVNSFZQWRQ-UHFFFAOYSA-N	0	3	316.449	2.538	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)C(C)C	ZINC000457748721	338977292	/nfs/dbraw/zinc/97/72/92/338977292.db2.gz	MXBOJLNIUXVWBF-INIZCTEOSA-N	0	3	320.481	2.876	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1CF)C(C)C	ZINC000457755626	338977500	/nfs/dbraw/zinc/97/75/00/338977500.db2.gz	RYRDEHQVIQAEIC-HOTGVXAUSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1	ZINC000458288513	338994871	/nfs/dbraw/zinc/99/48/71/338994871.db2.gz	LXRBXTXKFLTMCZ-CYBMUJFWSA-N	0	3	324.396	2.686	20	30		DFEDHN
CN1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccccc1	ZINC000458566001	339001022	/nfs/dbraw/zinc/00/10/22/339001022.db2.gz	BTWYQFNBUHADTM-JKSUJKDBSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC(C)(C)CC#N	ZINC000458623855	339001977	/nfs/dbraw/zinc/00/19/77/339001977.db2.gz	QVWLZYXNSVNFKM-OAHLLOKOSA-N	0	3	316.449	2.746	20	30		DFEDHN
CC#CCCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000458651252	339002669	/nfs/dbraw/zinc/00/26/69/339002669.db2.gz	JACZMOIKXVVZBW-UHFFFAOYSA-N	0	3	313.445	2.754	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccco1	ZINC000458763356	339004961	/nfs/dbraw/zinc/00/49/61/339004961.db2.gz	IYVLACBDQHUQOR-ZIAGYGMSSA-N	0	3	320.437	2.900	20	30		DFEDHN
C=C(CC)CNC(=O)N(CCN(C)C)Cc1cccc(OC)c1	ZINC000459086236	339013235	/nfs/dbraw/zinc/01/32/35/339013235.db2.gz	IKQDJKJYZQOPLG-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000459102662	339013643	/nfs/dbraw/zinc/01/36/43/339013643.db2.gz	UJPVSUYLSKXSSH-INIZCTEOSA-N	0	3	305.422	2.563	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)NCC(C)(C)CC#N	ZINC000459234701	339017179	/nfs/dbraw/zinc/01/71/79/339017179.db2.gz	OGJRFWMUMDKMEA-UHFFFAOYSA-N	0	3	316.449	2.700	20	30		DFEDHN
C=CC[C@H](CO)CNCc1c(C)nc2scc(C3CC3)n12	ZINC000459466220	339030677	/nfs/dbraw/zinc/03/06/77/339030677.db2.gz	PDFBFHNPHZBPFU-LBPRGKRZSA-N	0	3	305.447	2.856	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)NCC(C)(C)CC#N	ZINC000459501772	339032919	/nfs/dbraw/zinc/03/29/19/339032919.db2.gz	CEPWYJXOHBSYLI-UHFFFAOYSA-N	0	3	302.422	2.852	20	30		DFEDHN
CN(C)CC(C)(C)NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000459545127	339035083	/nfs/dbraw/zinc/03/50/83/339035083.db2.gz	FRYFHGAUHHWXKH-UHFFFAOYSA-N	0	3	314.351	2.867	20	30		DFEDHN
CC(C)(CC#N)CNCc1c[nH]nc1-c1ccc2c(c1)OCO2	ZINC000459706185	339043642	/nfs/dbraw/zinc/04/36/42/339043642.db2.gz	YTQNCSDFEIJWRS-UHFFFAOYSA-N	0	3	312.373	2.835	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000461952877	339069650	/nfs/dbraw/zinc/06/96/50/339069650.db2.gz	DDAORNXWVXLIKE-IAGOWNOFSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000468006461	339251040	/nfs/dbraw/zinc/25/10/40/339251040.db2.gz	RLMKUCCRPOXNJK-SFHVURJKSA-N	0	3	300.446	2.804	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000470163923	339312295	/nfs/dbraw/zinc/31/22/95/339312295.db2.gz	PXFNZTALXNFHBV-INIZCTEOSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1	ZINC000471804520	339354627	/nfs/dbraw/zinc/35/46/27/339354627.db2.gz	NJLZXPZMGTXHIK-WCQYABFASA-N	0	3	319.371	2.619	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1	ZINC000484641689	339691344	/nfs/dbraw/zinc/69/13/44/339691344.db2.gz	IQNKFHVFFOALDN-SJORKVTESA-N	0	3	302.418	2.577	20	30		DFEDHN
C=CCn1cccc1C(=O)N(CCN(C)C)Cc1ccccc1	ZINC000488379881	339779122	/nfs/dbraw/zinc/77/91/22/339779122.db2.gz	OBYRROFGGAAQMR-UHFFFAOYSA-N	0	3	311.429	2.878	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2ccnc3ccc(C)cc32)CC1	ZINC000491337770	339858349	/nfs/dbraw/zinc/85/83/49/339858349.db2.gz	CNNFDQGTQVPTBR-UHFFFAOYSA-N	0	3	307.397	2.509	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC(CNC[C@@H](C#N)CCC#N)CC1	ZINC000495840405	339993170	/nfs/dbraw/zinc/99/31/70/339993170.db2.gz	CJHDOWWVPGBPSC-OAHLLOKOSA-N	0	3	320.437	2.667	20	30		DFEDHN
C=CCN1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1	ZINC000496640776	340009497	/nfs/dbraw/zinc/00/94/97/340009497.db2.gz	DCHJAJPYSPNXIC-CVEARBPZSA-N	0	3	324.465	2.957	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](CN3CCOC3=O)C2)c1	ZINC000496973634	340017327	/nfs/dbraw/zinc/01/73/27/340017327.db2.gz	KJZACXPNZWSNJJ-INIZCTEOSA-N	0	3	316.401	2.526	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1	ZINC000507269093	340216166	/nfs/dbraw/zinc/21/61/66/340216166.db2.gz	VWSUTZPKEVKZKF-KGLIPLIRSA-N	0	3	312.417	2.803	20	30		DFEDHN
C=C(C)CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000509310845	340265912	/nfs/dbraw/zinc/26/59/12/340265912.db2.gz	OGXNAKOKTOWRHP-OAHLLOKOSA-N	0	3	302.418	2.950	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCC#Cc2ccc(F)cc2)CC1	ZINC000186400730	340512293	/nfs/dbraw/zinc/51/22/93/340512293.db2.gz	PVVAXOUHVORCJE-CQSZACIVSA-N	0	3	318.392	2.634	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1ccc2nccnc2n1)C(C)C	ZINC000521707357	340529509	/nfs/dbraw/zinc/52/95/09/340529509.db2.gz	OAXNENWPTPCNKZ-INIZCTEOSA-N	0	3	311.433	2.509	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC3CCC3)c2)nc(C)n1	ZINC000542776647	341020006	/nfs/dbraw/zinc/02/00/06/341020006.db2.gz	OLXUZKPTARDIMA-HNNXBMFYSA-N	0	3	322.368	2.910	20	30		DFEDHN
N#CCC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1	ZINC000543809769	341060042	/nfs/dbraw/zinc/06/00/42/341060042.db2.gz	CTXHBKDILLKBNT-HNNXBMFYSA-N	0	3	313.401	2.533	20	30		DFEDHN
CC(C)(CCC#N)CNCCS(=O)(=O)c1ccc(F)cc1	ZINC000132587401	341128795	/nfs/dbraw/zinc/12/87/95/341128795.db2.gz	FXURLZDNDWELHY-UHFFFAOYSA-N	0	3	312.410	2.519	20	30		DFEDHN
C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC[C@H](C)C#N	ZINC000546035331	341152246	/nfs/dbraw/zinc/15/22/46/341152246.db2.gz	USMGQQLGMFODJI-ZIAGYGMSSA-N	0	3	313.401	2.591	20	30		DFEDHN
C=CCOCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1	ZINC000546500441	341171102	/nfs/dbraw/zinc/17/11/02/341171102.db2.gz	IKGHQBQABUNRID-CYBMUJFWSA-N	0	3	317.370	2.795	20	30		DFEDHN
C[C@@H](CCNCc1cccc(OCCCC#N)c1)[S@@](C)=O	ZINC000133445977	341175401	/nfs/dbraw/zinc/17/54/01/341175401.db2.gz	LFXRUKAORBFVDE-QKKBWIMNSA-N	0	3	308.447	2.616	20	30		DFEDHN
N#CCc1ccc(CN2CCOC3(CCOCC3)CC2)cc1	ZINC000546690242	341178931	/nfs/dbraw/zinc/17/89/31/341178931.db2.gz	IEGSEVIRWBOEBP-UHFFFAOYSA-N	0	3	300.402	2.524	20	30		DFEDHN
CC#CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000134934395	341226949	/nfs/dbraw/zinc/22/69/49/341226949.db2.gz	OBWMZAOTVCXITF-HNNXBMFYSA-N	0	3	319.474	2.844	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2[C@H](C)C[C@H]2C)c(OC)c1	ZINC000548754954	341272605	/nfs/dbraw/zinc/27/26/05/341272605.db2.gz	VIQMOXMWQARVLV-IIAWOOMASA-N	0	3	305.418	2.646	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000246405417	341347568	/nfs/dbraw/zinc/34/75/68/341347568.db2.gz	QWTDESWCDFDHID-PMPSAXMXSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1	ZINC000572564926	341516218	/nfs/dbraw/zinc/51/62/18/341516218.db2.gz	NKHGAXPCORHKFU-GRYCIOLGSA-N	0	3	321.783	2.866	20	30		DFEDHN
N#CCc1ccnc(NC(=O)c2cccc(CN3CCCC3)c2)c1	ZINC000566949085	341572614	/nfs/dbraw/zinc/57/26/14/341572614.db2.gz	YPFVIIMVXQGCGT-UHFFFAOYSA-N	0	3	320.396	2.996	20	30		DFEDHN
COc1cccc([C@H](CNc2cc(C#N)cc(C)n2)N(C)C)c1	ZINC000323646908	533781999	/nfs/dbraw/zinc/78/19/99/533781999.db2.gz	HWRVNAIZBZUBNN-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000331862117	533822436	/nfs/dbraw/zinc/82/24/36/533822436.db2.gz	ANDOBLHJJPLGJI-ZDUSSCGKSA-N	0	3	303.381	2.692	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000354818844	517343695	/nfs/dbraw/zinc/34/36/95/517343695.db2.gz	JSQTXMKSXDLXOA-FAFZWHIHSA-N	0	3	322.493	2.673	20	30		DFEDHN
N#CCC1(CNCc2ccc(Cl)cc2-n2cncn2)CC1	ZINC000577696371	518196302	/nfs/dbraw/zinc/19/63/02/518196302.db2.gz	BIXPBHIJVMVMOS-UHFFFAOYSA-N	0	3	301.781	2.704	20	30		DFEDHN
CC[C@@]1(CO)CCCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000364795171	523741416	/nfs/dbraw/zinc/74/14/16/523741416.db2.gz	IULMWFGABBURKV-SFHVURJKSA-N	0	3	311.385	2.950	20	30		DFEDHN
CC(=O)N1CCC(CN[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000330778829	526538412	/nfs/dbraw/zinc/53/84/12/526538412.db2.gz	BVSUKMVJOWCNOD-LBPRGKRZSA-N	0	3	303.381	2.606	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1O	ZINC000330706070	526731682	/nfs/dbraw/zinc/73/16/82/526731682.db2.gz	LLKMQXADADVATO-DLBZAZTESA-N	0	3	302.418	2.666	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCCO[C@@H]2CCC[C@H]21	ZINC000369457069	526769609	/nfs/dbraw/zinc/76/96/09/526769609.db2.gz	HVHCUIOXUZRVFF-ZIAGYGMSSA-N	0	3	319.430	2.592	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1C#N	ZINC000365138131	527223411	/nfs/dbraw/zinc/22/34/11/527223411.db2.gz	OKEJSVOCNQXSJI-ROUUACIJSA-N	0	3	312.392	2.571	20	30		DFEDHN
CC(C)CC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1	ZINC000331561251	527852433	/nfs/dbraw/zinc/85/24/33/527852433.db2.gz	QNZHPNTYZFCMNI-SFHVURJKSA-N	0	3	315.461	2.867	20	30		DFEDHN
C=C(C)[C@@H](Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1)OCC	ZINC000680776314	545541137	/nfs/dbraw/zinc/54/11/37/545541137.db2.gz	DCGWOLWPVLESLX-JALIKCBVSA-N	0	3	305.422	2.934	20	30		DFEDHN
COCc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1	ZINC000680934275	545566762	/nfs/dbraw/zinc/56/67/62/545566762.db2.gz	MLCZJBMYJBZAAM-AWEZNQCLSA-N	0	3	320.352	2.605	20	30		DFEDHN
CC#CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000681541790	545669485	/nfs/dbraw/zinc/66/94/85/545669485.db2.gz	JULGSDNQUWUMOY-QGZVFWFLSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@]1(CC)CCOC1)C(C)C	ZINC000682851046	545927245	/nfs/dbraw/zinc/92/72/45/545927245.db2.gz	MEPVPRVOQWMMPT-AEFFLSMTSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCN(c2cccc3cnccc32)C[C@@H]1C	ZINC000683679937	546075904	/nfs/dbraw/zinc/07/59/04/546075904.db2.gz	WARSLRANOQEBIJ-HNAYVOBHSA-N	0	3	311.429	2.682	20	30		DFEDHN
C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1-c1nnn[n-]1	ZINC000736823306	598680792	/nfs/dbraw/zinc/68/07/92/598680792.db2.gz	VSAIOLCQYZYYHD-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1-c1nnn[n-]1	ZINC000736823306	598680793	/nfs/dbraw/zinc/68/07/93/598680793.db2.gz	VSAIOLCQYZYYHD-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
CCCNC(=O)CN(CCC)Cc1cn2ccccc2c1C#N	ZINC000076795191	185042236	/nfs/dbraw/zinc/04/22/36/185042236.db2.gz	KUHHKMNIHFSRMZ-UHFFFAOYSA-N	0	3	312.417	2.549	20	30		DFEDHN
CCOC(=O)N1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)C1	ZINC000278369298	214122956	/nfs/dbraw/zinc/12/29/56/214122956.db2.gz	CAOLKHBLXPECIA-JKSUJKDBSA-N	0	3	301.390	2.830	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)C3CCN(C4CC4)CC3)CC2)c1	ZINC000278777263	214394782	/nfs/dbraw/zinc/39/47/82/214394782.db2.gz	OXYMWVJFTFKMHG-UHFFFAOYSA-N	0	3	309.413	2.538	20	30		DFEDHN
Cn1cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cc1C#N	ZINC000278883768	214466522	/nfs/dbraw/zinc/46/65/22/214466522.db2.gz	ZXDKCZRGVNLIJX-HNNXBMFYSA-N	0	3	307.756	2.512	20	30		DFEDHN
CCC[C@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596185496	398350526	/nfs/dbraw/zinc/35/05/26/398350526.db2.gz	MLMUKVIFVHJKGH-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccn1	ZINC000065987013	398353968	/nfs/dbraw/zinc/35/39/68/398353968.db2.gz	VGLARZADKJJFRY-UHFFFAOYSA-N	0	3	323.400	2.549	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000081688964	398367376	/nfs/dbraw/zinc/36/73/76/398367376.db2.gz	QNDVDSLJEPYZJP-GBESFXJTSA-N	0	3	323.440	2.749	20	30		DFEDHN
CCCN(C(=O)N[C@H](C)c1cccc(C#N)c1)[C@H]1CCN(C)C1	ZINC000591971209	398365722	/nfs/dbraw/zinc/36/57/22/398365722.db2.gz	FRZZXCITIIQVQI-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
C[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)N(C)C1CC1	ZINC000596264174	398371588	/nfs/dbraw/zinc/37/15/88/398371588.db2.gz	JOTZJXOKOXIDLF-ZDUSSCGKSA-N	0	3	314.433	2.575	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000596298429	398379978	/nfs/dbraw/zinc/37/99/78/398379978.db2.gz	XBKDOLVUYXEUSD-CVEARBPZSA-N	0	3	307.401	2.930	20	30		DFEDHN
CCC[C@H](Cc1ccccc1)N(CCC)CC(=O)NCC#N	ZINC000066498232	398381423	/nfs/dbraw/zinc/38/14/23/398381423.db2.gz	XKQLSRUJEPYWPH-QGZVFWFLSA-N	0	3	301.434	2.750	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1	ZINC000580769488	398385916	/nfs/dbraw/zinc/38/59/16/398385916.db2.gz	SAUXBHFVWXUBKL-BZSNNMDCSA-N	0	3	307.397	2.793	20	30		DFEDHN
COc1cc(OC2CC2)ccc1C(=O)C(C#N)c1ccncn1	ZINC000581046881	398387788	/nfs/dbraw/zinc/38/77/88/398387788.db2.gz	CPAKADZEKIVLHH-CQSZACIVSA-N	0	3	309.325	2.516	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cnccc2OC(C)(C)C)CC1	ZINC000132098648	334938291	/nfs/dbraw/zinc/93/82/91/334938291.db2.gz	KVFAQYXGTCVLMJ-UHFFFAOYSA-N	0	3	315.417	2.543	20	30		DFEDHN
N#Cc1ccc(OC2CCC(NCc3cscn3)CC2)nc1	ZINC000092854385	185346530	/nfs/dbraw/zinc/34/65/30/185346530.db2.gz	SICDAXRKYOSHKI-UHFFFAOYSA-N	0	3	314.414	2.890	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCCC[C@@H]2C2CCC2)cc1	ZINC000592197156	398400314	/nfs/dbraw/zinc/40/03/14/398400314.db2.gz	BLYZZZFVVVMAFD-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
COc1ccc(C[C@H](C)CNC[C@H](C#N)CCC#N)cc1OC	ZINC000584734683	398405412	/nfs/dbraw/zinc/40/54/12/398405412.db2.gz	GNSKMHVAADLDOY-HOCLYGCPSA-N	0	3	315.417	2.916	20	30		DFEDHN
C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(C#N)cc1	ZINC000084651258	398405917	/nfs/dbraw/zinc/40/59/17/398405917.db2.gz	UFVJJCRZRRQWJQ-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCN(C)C1	ZINC000592256211	398408066	/nfs/dbraw/zinc/40/80/66/398408066.db2.gz	GIQQLWACSYXHNC-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCCC[C@@H]1c1ccccc1	ZINC000272800372	210202209	/nfs/dbraw/zinc/20/22/09/210202209.db2.gz	BFFGSAJMFZLKCF-SJORKVTESA-N	0	3	307.459	2.903	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000066942556	398408182	/nfs/dbraw/zinc/40/81/82/398408182.db2.gz	XBYXTUYLVJEKRX-OAHLLOKOSA-N	0	3	322.424	2.697	20	30		DFEDHN
N#Cc1ccc(N2CCC(NCc3ccc(Cl)o3)CC2)nc1	ZINC000067011034	398412546	/nfs/dbraw/zinc/41/25/46/398412546.db2.gz	YABCZGYIWAFRSG-UHFFFAOYSA-N	0	3	316.792	2.958	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000272783359	210187173	/nfs/dbraw/zinc/18/71/73/210187173.db2.gz	SFTZGPNAFXXJBJ-AWEZNQCLSA-N	0	3	300.402	2.632	20	30		DFEDHN
C=CCN1CCC(Nc2cc(-c3cccnc3)nc(C)n2)CC1	ZINC000592371675	398417286	/nfs/dbraw/zinc/41/72/86/398417286.db2.gz	VWQGROASIIFRFE-UHFFFAOYSA-N	0	3	309.417	2.909	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCN(C)C1	ZINC000596450927	398415827	/nfs/dbraw/zinc/41/58/27/398415827.db2.gz	RWXUGPKOKMZHRO-AWEZNQCLSA-N	0	3	317.437	2.673	20	30		DFEDHN
C[C@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000253105407	398420731	/nfs/dbraw/zinc/42/07/31/398420731.db2.gz	BCJWUXYNBZZDLE-CTYIDZIISA-N	0	3	306.431	2.500	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@]1(O)CCOC1)c1ccc(C#N)cc1F	ZINC000592396652	398420921	/nfs/dbraw/zinc/42/09/21/398420921.db2.gz	ILBPQLRTAXIVJL-SJCJKPOMSA-N	0	3	306.381	2.526	20	30		DFEDHN
C[C@@H]1C[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)CO1	ZINC000592378220	398418296	/nfs/dbraw/zinc/41/82/96/398418296.db2.gz	AXXOMMOKWVWBBU-RHSMWYFYSA-N	0	3	310.401	2.731	20	30		DFEDHN
COC1(c2nc(C3CC3)no2)CCN(CCCCC#N)CC1	ZINC000585755650	398445435	/nfs/dbraw/zinc/44/54/35/398445435.db2.gz	QOCAQXRJXZGANG-UHFFFAOYSA-N	0	3	304.394	2.578	20	30		DFEDHN
CN1C[C@@H]2[C@@H](CCCN2Cc2ccc(C(C)(C)C#N)cc2)C1=O	ZINC000585795551	398447396	/nfs/dbraw/zinc/44/73/96/398447396.db2.gz	FPUUJANQYWLFNC-IAGOWNOFSA-N	0	3	311.429	2.540	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H]2Cn2ccnn2)cc1	ZINC000585790957	398447431	/nfs/dbraw/zinc/44/74/31/398447431.db2.gz	UFGGPMWOCJMCDV-KRWDZBQOSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)NCC1(SC)CCN(C)CC1	ZINC000596605871	398459967	/nfs/dbraw/zinc/45/99/67/398459967.db2.gz	WYDQEVPPYKTBNM-UHFFFAOYSA-N	0	3	313.511	2.858	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000596641842	398469264	/nfs/dbraw/zinc/46/92/64/398469264.db2.gz	XZBLHEXSCPBVSI-CYBMUJFWSA-N	0	3	306.797	2.817	20	30		DFEDHN
CC(C)(CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCCCC1	ZINC000596658828	398473829	/nfs/dbraw/zinc/47/38/29/398473829.db2.gz	WUAUMXZEJDDEOH-UHFFFAOYSA-N	0	3	321.371	2.831	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000286759938	219151606	/nfs/dbraw/zinc/15/16/06/219151606.db2.gz	HKKMOCJHBKTNPZ-SUMWQHHRSA-N	0	3	307.401	2.589	20	30		DFEDHN
CN(CCOc1ccccc1)CCC(=O)Nc1ccccc1C#N	ZINC000028852196	398476779	/nfs/dbraw/zinc/47/67/79/398476779.db2.gz	SAFILFOVJFGHCG-UHFFFAOYSA-N	0	3	323.396	2.898	20	30		DFEDHN
CN(C)[C@H](CNC(=O)CCCCCC#N)Cc1ccccc1	ZINC000588250388	398491590	/nfs/dbraw/zinc/49/15/90/398491590.db2.gz	JNZNJDLULHGELK-KRWDZBQOSA-N	0	3	301.434	2.750	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)N[C@H]2CCCC[C@H]2C#N)CC1	ZINC000596766510	398497005	/nfs/dbraw/zinc/49/70/05/398497005.db2.gz	HXHGOBHGZUAEDZ-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@H](C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000592870525	398501910	/nfs/dbraw/zinc/50/19/10/398501910.db2.gz	HPQVJXIUFMNLQK-XIRDDKMYSA-N	0	3	302.418	2.672	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCN(C)C1	ZINC000596795602	398502897	/nfs/dbraw/zinc/50/28/97/398502897.db2.gz	FVLKIDCUDGREOX-LBPRGKRZSA-N	0	3	306.797	2.770	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308180557	398512817	/nfs/dbraw/zinc/51/28/17/398512817.db2.gz	ORSRYHQLTPJWFB-MRXNPFEDSA-N	0	3	321.428	2.845	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@@H]2CCCN2Cc2ccccc2)n1	ZINC000308164280	398512469	/nfs/dbraw/zinc/51/24/69/398512469.db2.gz	DKTOJHPOSOIPHG-KRWDZBQOSA-N	0	3	321.428	2.987	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)NCC3(C#N)CCCCC3)C2)C1	ZINC000596857202	398514986	/nfs/dbraw/zinc/51/49/86/398514986.db2.gz	JGNWQWFXYXKMAV-GOSISDBHSA-N	0	3	318.465	2.588	20	30		DFEDHN
CCN1CCN(Cc2ccc(Br)cc2C#N)C[C@H]1C	ZINC000311651217	398515184	/nfs/dbraw/zinc/51/51/84/398515184.db2.gz	UGSZQNDBGQVFNF-GFCCVEGCSA-N	0	3	322.250	2.847	20	30		DFEDHN
Cc1ccccc1C1(NCC(=O)N[C@@](C)(C#N)C2CC2)CCC1	ZINC000593038213	398527154	/nfs/dbraw/zinc/52/71/54/398527154.db2.gz	AHBYZRPRALIOPX-SFHVURJKSA-N	0	3	311.429	2.772	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000091506500	398534627	/nfs/dbraw/zinc/53/46/27/398534627.db2.gz	MWTVMLCCPNFQKO-ROUUACIJSA-N	0	3	321.509	2.750	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCCC2=CCCCC2)c1	ZINC000317018460	398533952	/nfs/dbraw/zinc/53/39/52/398533952.db2.gz	QRFSSWGCQMOYMI-UHFFFAOYSA-N	0	3	318.442	2.812	20	30		DFEDHN
C=CC[C@@H](CC)N[C@H](C(N)=O)c1cccc(Br)c1	ZINC000280879159	334966384	/nfs/dbraw/zinc/96/63/84/334966384.db2.gz	ADYYIBXTSOYGFF-OLZOCXBDSA-N	0	3	311.223	2.920	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC(Cn3cnnc3)CC2)cc1	ZINC000593076745	398538462	/nfs/dbraw/zinc/53/84/62/398538462.db2.gz	FWCRYUCIFCBTEK-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC1(C)C	ZINC000596975768	398539369	/nfs/dbraw/zinc/53/93/69/398539369.db2.gz	VNQUJVAPQRDCNA-KRWDZBQOSA-N	0	3	313.445	2.885	20	30		DFEDHN
CN1CCN(Cc2cccc(C#N)c2)[C@@H](Cc2ccccc2)C1	ZINC000593088842	398541299	/nfs/dbraw/zinc/54/12/99/398541299.db2.gz	LZZLIQMCGMPWHI-FQEVSTJZSA-N	0	3	305.425	2.917	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(C(=O)C3CCCC3)C1)CC2	ZINC000589341847	398547414	/nfs/dbraw/zinc/54/74/14/398547414.db2.gz	ALEDFWFQTDAGHP-PKOBYXMFSA-N	0	3	323.440	2.926	20	30		DFEDHN
COC[C@@H](NC1CCN(CC#N)CC1)c1cccc(Cl)c1	ZINC000589339170	398547554	/nfs/dbraw/zinc/54/75/54/398547554.db2.gz	VFNOBVDAJRQHKK-MRXNPFEDSA-N	0	3	307.825	2.605	20	30		DFEDHN
N#Cc1ccnc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1	ZINC000593138945	398556324	/nfs/dbraw/zinc/55/63/24/398556324.db2.gz	DQLSRVIIJJKUPG-MNOVXSKESA-N	0	3	313.279	2.639	20	30		DFEDHN
C=C(C)CN1CCC(NCc2cc(C)c(C(=O)OC)o2)CC1	ZINC000597054399	398556682	/nfs/dbraw/zinc/55/66/82/398556682.db2.gz	TVPQUXQSYOOSMH-UHFFFAOYSA-N	0	3	306.406	2.505	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2nc(C#N)cs2)C1	ZINC000589503467	398557273	/nfs/dbraw/zinc/55/72/73/398557273.db2.gz	RNOILBIMXCTDGB-INIZCTEOSA-N	0	3	312.442	2.721	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-n2cnnn2)c1	ZINC000325122308	398562945	/nfs/dbraw/zinc/56/29/45/398562945.db2.gz	XFJZELFLGXEEHR-UONOGXRCSA-N	0	3	318.384	2.946	20	30		DFEDHN
C=CC[C@H](CC)N[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000280879162	334966749	/nfs/dbraw/zinc/96/67/49/334966749.db2.gz	ADYYIBXTSOYGFF-QWHCGFSZSA-N	0	3	311.223	2.920	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000069339771	398565715	/nfs/dbraw/zinc/56/57/15/398565715.db2.gz	IAQNBIWEVOUPDZ-MRXNPFEDSA-N	0	3	316.445	2.748	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000589647747	398568658	/nfs/dbraw/zinc/56/86/58/398568658.db2.gz	XDVZVONKBBNWRW-IRXDYDNUSA-N	0	3	320.481	2.976	20	30		DFEDHN
COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)n(C)c1C	ZINC000589732243	398573374	/nfs/dbraw/zinc/57/33/74/398573374.db2.gz	DNFCDWADDWGNQS-LBPRGKRZSA-N	0	3	311.385	2.843	20	30		DFEDHN
N#CCCn1cc(CN2CC(C3CC3)C2)c(-c2ccncc2)n1	ZINC000589736808	398573618	/nfs/dbraw/zinc/57/36/18/398573618.db2.gz	QUFUQALCSOLOGW-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
CC(C)N(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC(=O)N1	ZINC000597149708	398575624	/nfs/dbraw/zinc/57/56/24/398575624.db2.gz	HZRAUCOIHQTPIY-KRWDZBQOSA-N	0	3	311.429	2.731	20	30		DFEDHN
N#Cc1cccc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1	ZINC000589755420	398575219	/nfs/dbraw/zinc/57/52/19/398575219.db2.gz	GHBNPWDBMMIUAB-MRXNPFEDSA-N	0	3	318.380	2.578	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1F	ZINC000597171134	398581576	/nfs/dbraw/zinc/58/15/76/398581576.db2.gz	BMESYZGBRWEDHL-CYBMUJFWSA-N	0	3	319.355	2.537	20	30		DFEDHN
COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000597177440	398582270	/nfs/dbraw/zinc/58/22/70/398582270.db2.gz	MIOFXNVDWXHUJN-HUUCEWRRSA-N	0	3	316.401	2.753	20	30		DFEDHN
CC(C)(C)OCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000590005093	398589270	/nfs/dbraw/zinc/58/92/70/398589270.db2.gz	MTXLUNBHGSPEHH-HNNXBMFYSA-N	0	3	303.406	2.612	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]([C@H]4CCCCO4)C3)n2c1	ZINC000597224352	398596547	/nfs/dbraw/zinc/59/65/47/398596547.db2.gz	GWKPCSISBHOEKZ-SJLPKXTDSA-N	0	3	324.428	2.987	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@H]([C@@H]4CCCCO4)C3)n2c1	ZINC000597224353	398596780	/nfs/dbraw/zinc/59/67/80/398596780.db2.gz	GWKPCSISBHOEKZ-WMZOPIPTSA-N	0	3	324.428	2.987	20	30		DFEDHN
N#CCCCCCc1nc(CC2=N[C@@H]3CCCC[C@H]3N2)no1	ZINC000350207824	398599206	/nfs/dbraw/zinc/59/92/06/398599206.db2.gz	ZPJWOTZOZDWXIY-CHWSQXEVSA-N	0	3	301.394	2.551	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)CC2(C#N)CC2)N2CCCC2)cc1	ZINC000590194534	398605270	/nfs/dbraw/zinc/60/52/70/398605270.db2.gz	AXARSVOJNGNZHC-KRWDZBQOSA-N	0	3	311.429	2.942	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCC1	ZINC000593349546	398605370	/nfs/dbraw/zinc/60/53/70/398605370.db2.gz	JLCYPWOAEYJKBB-HNNXBMFYSA-N	0	3	306.454	2.634	20	30		DFEDHN
N#Cc1cscc1C(=O)N1CCCC[C@@H](N2CCCC2)C1	ZINC000590228593	398606998	/nfs/dbraw/zinc/60/69/98/398606998.db2.gz	DPUMGYCKBIFGNM-CQSZACIVSA-N	0	3	303.431	2.710	20	30		DFEDHN
COCCN1[C@H](C)CN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C	ZINC000092924480	398608346	/nfs/dbraw/zinc/60/83/46/398608346.db2.gz	VNXNJKIUNVOFSA-HUUCEWRRSA-N	0	3	324.428	2.652	20	30		DFEDHN
CCOC(=O)C1(C)CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000092823992	398602411	/nfs/dbraw/zinc/60/24/11/398602411.db2.gz	JVLZNRQNYMZPPW-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1OCC(=O)NC	ZINC000590169905	398603259	/nfs/dbraw/zinc/60/32/59/398603259.db2.gz	BJQBJAWZDXOJMR-FMKPAKJESA-N	0	3	315.417	2.544	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000590186658	398604347	/nfs/dbraw/zinc/60/43/47/398604347.db2.gz	KCDLDTALFSRUBC-QGZVFWFLSA-N	0	3	311.429	2.709	20	30		DFEDHN
N#CC1(CC(=O)NCC2CCN(Cc3cccs3)CC2)CC1	ZINC000590194594	398604842	/nfs/dbraw/zinc/60/48/42/398604842.db2.gz	QTMMUXYREQCZTC-UHFFFAOYSA-N	0	3	317.458	2.770	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(CC3(C#N)CC3)n2)cc1	ZINC000590267956	398608829	/nfs/dbraw/zinc/60/88/29/398608829.db2.gz	NRJAUUNNHSGKTA-UHFFFAOYSA-N	0	3	312.373	2.523	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CC2(C#N)CC2)[C@H]1c1cccs1	ZINC000590273477	398609027	/nfs/dbraw/zinc/60/90/27/398609027.db2.gz	GMERATYLZFVHFB-CJNGLKHVSA-N	0	3	317.458	2.941	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C#N)CC1	ZINC000590293932	398610387	/nfs/dbraw/zinc/61/03/87/398610387.db2.gz	GAJMUYORNHSKMS-WBVHZDCISA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000597290367	398614926	/nfs/dbraw/zinc/61/49/26/398614926.db2.gz	MHLVXPLYFBCNFC-VNHYZAJKSA-N	0	3	305.447	2.797	20	30		DFEDHN
N#CC1(CC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1	ZINC000590375274	398617656	/nfs/dbraw/zinc/61/76/56/398617656.db2.gz	PDEDDQDUMGSBTA-FQEVSTJZSA-N	0	3	323.440	2.805	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC1(C#N)CCCC1	ZINC000593409455	398621117	/nfs/dbraw/zinc/62/11/17/398621117.db2.gz	QFWRIHIEFSLQDT-INIZCTEOSA-N	0	3	320.481	2.880	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000593441871	398630459	/nfs/dbraw/zinc/63/04/59/398630459.db2.gz	XZYYNCSMZLKIRK-OAHLLOKOSA-N	0	3	317.458	2.766	20	30		DFEDHN
CCO[C@H]1COCC[C@@H]1NCc1cccc(OCCCC#N)c1	ZINC000353126888	398638164	/nfs/dbraw/zinc/63/81/64/398638164.db2.gz	IKRXKQQLLJMGAO-ROUUACIJSA-N	0	3	318.417	2.653	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]2C[C@H](C)O)cc(OC)c1O	ZINC000093482495	398639424	/nfs/dbraw/zinc/63/94/24/398639424.db2.gz	GVGXIMOZTYCVJZ-XJKSGUPXSA-N	0	3	305.418	2.865	20	30		DFEDHN
C=CCc1cc(CN(C)CC2(O)CCCC2)cc(OC)c1O	ZINC000093503066	398639620	/nfs/dbraw/zinc/63/96/20/398639620.db2.gz	LDQGRTZOMYVINC-UHFFFAOYSA-N	0	3	305.418	2.866	20	30		DFEDHN
CCO[C@H]1COCC[C@H]1NCc1ccccc1C(C)(C)C#N	ZINC000362015750	398642480	/nfs/dbraw/zinc/64/24/80/398642480.db2.gz	OPTAVEBBLQQLOQ-SJORKVTESA-N	0	3	302.418	2.771	20	30		DFEDHN
CCO[C@@H]1COCC[C@@H]1NCc1ccccc1C(C)(C)C#N	ZINC000362015742	398642485	/nfs/dbraw/zinc/64/24/85/398642485.db2.gz	OPTAVEBBLQQLOQ-DLBZAZTESA-N	0	3	302.418	2.771	20	30		DFEDHN
C[C@]1(CNC(=O)C2(C#N)CCC2)CCCN1Cc1ccccc1	ZINC000363775033	398644970	/nfs/dbraw/zinc/64/49/70/398644970.db2.gz	PUWMYRKDXOHGEC-GOSISDBHSA-N	0	3	311.429	2.851	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)n2c1	ZINC000590656894	398646498	/nfs/dbraw/zinc/64/64/98/398646498.db2.gz	HJRKPFYCJVGGGD-KZNAEPCWSA-N	0	3	324.428	2.721	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(C)s2)CC1	ZINC000171548158	197938987	/nfs/dbraw/zinc/93/89/87/197938987.db2.gz	IWTHECQTBRCOJU-UHFFFAOYSA-N	0	3	308.451	2.922	20	30		DFEDHN
N#Cc1cc(Br)cnc1N[C@@H]1CCN(CC2CC2)C1	ZINC000590689599	398651844	/nfs/dbraw/zinc/65/18/44/398651844.db2.gz	CNTHZNGTUDOIMH-CYBMUJFWSA-N	0	3	321.222	2.612	20	30		DFEDHN
Cc1nn(-c2cccc(C)c2)cc1CNC1CCN(CC#N)CC1	ZINC000593594855	398659367	/nfs/dbraw/zinc/65/93/67/398659367.db2.gz	FOBGQUJSNFWSIJ-UHFFFAOYSA-N	0	3	323.444	2.567	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2ccccc2F)CC1	ZINC000172349827	198083904	/nfs/dbraw/zinc/08/39/04/198083904.db2.gz	VLBRABHZMZBIIJ-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)[C@H](C#N)CCc1ccccc1	ZINC000597603165	398667631	/nfs/dbraw/zinc/66/76/31/398667631.db2.gz	ABXZWLUJKKPGLS-ZWKOTPCHSA-N	0	3	313.445	2.702	20	30		DFEDHN
COC1([C@H](C)NCc2ccc(C#N)c(Cl)c2)CCOCC1	ZINC000590778606	398672937	/nfs/dbraw/zinc/67/29/37/398672937.db2.gz	BTUHISYJTSLJFD-LBPRGKRZSA-N	0	3	308.809	2.885	20	30		DFEDHN
C[C@@H](CC#N)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000597640617	398672951	/nfs/dbraw/zinc/67/29/51/398672951.db2.gz	CPOFPTJGFPEYRL-JSGCOSHPSA-N	0	3	307.825	2.651	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc3nc(C)oc3c2)CC1	ZINC000280962143	334974367	/nfs/dbraw/zinc/97/43/67/334974367.db2.gz	RAWMSSKJPHAVCT-UHFFFAOYSA-N	0	3	313.401	2.907	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1(C#N)CCC1	ZINC000398176242	398682120	/nfs/dbraw/zinc/68/21/20/398682120.db2.gz	QMQKBHLFACZVRC-RDJZCZTQSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@H](CN1CCCCCC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000331862116	234206797	/nfs/dbraw/zinc/20/67/97/234206797.db2.gz	ANDOBLHJJPLGJI-CYBMUJFWSA-N	0	3	303.381	2.692	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1F	ZINC000103640591	398685484	/nfs/dbraw/zinc/68/54/84/398685484.db2.gz	TYMLYSPXCLMXCG-ZDUSSCGKSA-N	0	3	312.348	2.942	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1cc2ccccc2n1CC#N	ZINC000590889045	398696346	/nfs/dbraw/zinc/69/63/46/398696346.db2.gz	IMLWCXVCWUVABM-UHFFFAOYSA-N	0	3	324.428	2.769	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C2(CCC2)CO1	ZINC000593847449	398697139	/nfs/dbraw/zinc/69/71/39/398697139.db2.gz	GQBGTVMOXDKDER-NVXWUHKLSA-N	0	3	312.413	2.929	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21	ZINC000593866819	398698629	/nfs/dbraw/zinc/69/86/29/398698629.db2.gz	PRWRWBRQCGLRMX-DFBGVHRSSA-N	0	3	314.385	2.833	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)[C@@H](C#N)CCc1ccccc1	ZINC000593881828	398699408	/nfs/dbraw/zinc/69/94/08/398699408.db2.gz	CYAMQGVOFJBILM-GOSISDBHSA-N	0	3	313.445	2.703	20	30		DFEDHN
Cc1cc(N2CCN(C)CC2)ccc1NCc1ccc(C#N)o1	ZINC000174285430	198314396	/nfs/dbraw/zinc/31/43/96/198314396.db2.gz	UGYGAUVNRJTIPD-UHFFFAOYSA-N	0	3	310.401	2.824	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc(C#N)c2)C1	ZINC000590927907	398702163	/nfs/dbraw/zinc/70/21/63/398702163.db2.gz	JXNBRCYINGLTNC-YOEHRIQHSA-N	0	3	314.433	2.743	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000107433759	398702466	/nfs/dbraw/zinc/70/24/66/398702466.db2.gz	UENNWCIVZFYBMA-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](CCNCc2ccc(C#N)o2)C1	ZINC000174368347	198325256	/nfs/dbraw/zinc/32/52/56/198325256.db2.gz	NYWKDCPUXCAAEA-CYBMUJFWSA-N	0	3	319.405	2.888	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2ccccc2n1CC#N	ZINC000597858562	398705517	/nfs/dbraw/zinc/70/55/17/398705517.db2.gz	NEAHSCSATWZCJF-OAHLLOKOSA-N	0	3	324.428	2.767	20	30		DFEDHN
COc1cc(NCCNCc2cccc(C#N)c2)cc(OC)c1	ZINC000126069516	282899142	/nfs/dbraw/zinc/89/91/42/282899142.db2.gz	JCLGQIVJSKYXJB-UHFFFAOYSA-N	0	3	311.385	2.777	20	30		DFEDHN
C=CCOc1cccc(CNC(C)(C)CCS(C)(=O)=O)c1	ZINC000174637133	198364111	/nfs/dbraw/zinc/36/41/11/198364111.db2.gz	VFQUPTNFJVIMNI-UHFFFAOYSA-N	0	3	311.447	2.554	20	30		DFEDHN
N#Cc1ccc(CCNC(=O)[C@H]2CCCN2C2CCCC2)cc1	ZINC000597893341	398714269	/nfs/dbraw/zinc/71/42/69/398714269.db2.gz	OSPUHPNPNOYSTQ-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCN(C)C1	ZINC000108588749	398714831	/nfs/dbraw/zinc/71/48/31/398714831.db2.gz	UBJAXAJPPIPCPQ-CQSZACIVSA-N	0	3	307.463	2.788	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000593989561	398715395	/nfs/dbraw/zinc/71/53/95/398715395.db2.gz	UIKVVFYTONGIOT-QAPCUYQASA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1	ZINC000591054945	398719321	/nfs/dbraw/zinc/71/93/21/398719321.db2.gz	WYLCUAMWZNRBPC-INIZCTEOSA-N	0	3	302.418	2.808	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)C1	ZINC000597923208	398721866	/nfs/dbraw/zinc/72/18/66/398721866.db2.gz	MYSHTTFWJYMMNC-CQSZACIVSA-N	0	3	317.458	2.639	20	30		DFEDHN
C=CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C	ZINC000591093831	398725897	/nfs/dbraw/zinc/72/58/97/398725897.db2.gz	SHQRZLQCUFMODF-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
Cc1nnc(NC[C@@H](Cc2ccccc2)N(C)C)c(C#N)c1C	ZINC000074257847	398734800	/nfs/dbraw/zinc/73/48/00/398734800.db2.gz	FRBVKZGTYVMFSQ-MRXNPFEDSA-N	0	3	309.417	2.550	20	30		DFEDHN
C[C@H](CO)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000598019482	398738303	/nfs/dbraw/zinc/73/83/03/398738303.db2.gz	LZQQTXJULVUKCP-NXHRZFHOSA-N	0	3	314.429	2.768	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000073649449	191336341	/nfs/dbraw/zinc/33/63/41/191336341.db2.gz	LQDJSTXSUMXAOS-IBGZPJMESA-N	0	3	310.397	2.568	20	30		DFEDHN
CCN1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1	ZINC000591234517	398741180	/nfs/dbraw/zinc/74/11/80/398741180.db2.gz	HJIFQYMDQCQEIN-JTQLQIEISA-N	0	3	312.200	2.689	20	30		DFEDHN
C[C@@H](Cn1ncc2ccccc2c1=O)NCc1cc(C#N)cs1	ZINC000131663993	283093700	/nfs/dbraw/zinc/09/37/00/283093700.db2.gz	HIFPAHBOKNYBEI-LBPRGKRZSA-N	0	3	324.409	2.508	20	30		DFEDHN
CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCN(CC)C1	ZINC000598038235	398741958	/nfs/dbraw/zinc/74/19/58/398741958.db2.gz	BAFNEPNTJIQRIM-QZTJIDSGSA-N	0	3	313.445	2.702	20	30		DFEDHN
Cc1csc(NC(=O)N2CCCN(C(C)C)CC2)c1C#N	ZINC000594108663	398744984	/nfs/dbraw/zinc/74/49/84/398744984.db2.gz	SVLZSMYDIZCZOW-UHFFFAOYSA-N	0	3	306.435	2.876	20	30		DFEDHN
Cn1cc(CN[C@@H]2COC(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000591356380	398752099	/nfs/dbraw/zinc/75/20/99/398752099.db2.gz	MDPKPXDKLWRNEV-INIZCTEOSA-N	0	3	310.401	2.616	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1	ZINC000598089445	398752295	/nfs/dbraw/zinc/75/22/95/398752295.db2.gz	VSENWWSHWQDHRM-XIRDDKMYSA-N	0	3	303.450	2.982	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1	ZINC000594195141	398762503	/nfs/dbraw/zinc/76/25/03/398762503.db2.gz	CKKVIMOLRDSCOT-QZTJIDSGSA-N	0	3	323.440	2.723	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl	ZINC000598189549	398766108	/nfs/dbraw/zinc/76/61/08/398766108.db2.gz	BFLBSKSNJNJIFF-KWQFWETISA-N	0	3	301.173	2.645	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN(C)C[C@@H]2CCCN2C)c1C#N	ZINC000591479473	398767281	/nfs/dbraw/zinc/76/72/81/398767281.db2.gz	YCOSQUYMIUXQTH-KRWDZBQOSA-N	0	3	323.444	2.578	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)cc1F	ZINC000591501524	398768271	/nfs/dbraw/zinc/76/82/71/398768271.db2.gz	JRSQGYRVISIZCC-INIZCTEOSA-N	0	3	315.392	2.578	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)c(F)c1	ZINC000301808523	283167474	/nfs/dbraw/zinc/16/74/74/283167474.db2.gz	AUJDUKZNULPFFL-INIZCTEOSA-N	0	3	317.408	2.779	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000594242731	398772887	/nfs/dbraw/zinc/77/28/87/398772887.db2.gz	VAVRERRARYYGOP-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1	ZINC000598228281	398775033	/nfs/dbraw/zinc/77/50/33/398775033.db2.gz	GKCBCYQKVNCMAJ-GWCFXTLKSA-N	0	3	323.190	2.509	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCc3cc(-c4ccccc4)ccc32)CCNC1	ZINC000591602791	398775154	/nfs/dbraw/zinc/77/51/54/398775154.db2.gz	JAVAWYXRADWSFX-FQEVSTJZSA-N	0	3	317.392	2.746	20	30		DFEDHN
N#C[C@]1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCNC1	ZINC000591606942	398776387	/nfs/dbraw/zinc/77/63/87/398776387.db2.gz	BIKYFVTTXVMDIF-HXUWFJFHSA-N	0	3	317.392	2.699	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCNC1	ZINC000591625838	398777162	/nfs/dbraw/zinc/77/71/62/398777162.db2.gz	FBQBYPOHONUBPP-CQSZACIVSA-N	0	3	311.307	2.623	20	30		DFEDHN
CC1(C)CCc2ccccc2[C@H](NC(=O)[C@]2(C#N)CCNC2)C1	ZINC000591640768	398778772	/nfs/dbraw/zinc/77/87/72/398778772.db2.gz	MVAOSFAQJLZRNR-APWZRJJASA-N	0	3	311.429	2.710	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000598259681	398779368	/nfs/dbraw/zinc/77/93/68/398779368.db2.gz	DUBOANGBBAJJQB-YJBOKZPZSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000598261995	398779691	/nfs/dbraw/zinc/77/96/91/398779691.db2.gz	WQDIDMYFGGOPNV-LBPRGKRZSA-N	0	3	321.371	2.687	20	30		DFEDHN
CCCCN(C)CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000594288608	398779720	/nfs/dbraw/zinc/77/97/20/398779720.db2.gz	CVVDXELTZGJQTB-HNNXBMFYSA-N	0	3	301.434	2.585	20	30		DFEDHN
N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000591728468	398782716	/nfs/dbraw/zinc/78/27/16/398782716.db2.gz	ZTNTZJMSSUUVOD-KBPBESRZSA-N	0	3	318.371	2.824	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NCCC(=O)Nc1cccnc1	ZINC000591764283	398785508	/nfs/dbraw/zinc/78/55/08/398785508.db2.gz	CZQGBVMXDSHYPB-QGZVFWFLSA-N	0	3	306.369	2.559	20	30		DFEDHN
C[C@]1(c2ccccc2)C[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000591744211	398784014	/nfs/dbraw/zinc/78/40/14/398784014.db2.gz	DBBKKCJGXFWQAQ-YZGWKJHDSA-N	0	3	322.408	2.618	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(OC(C)C)nc2)nc(C)n1	ZINC000049408276	398794971	/nfs/dbraw/zinc/79/49/71/398794971.db2.gz	NWWMEYOSNPLLGE-AWEZNQCLSA-N	0	3	310.357	2.766	20	30		DFEDHN
N#CC(C(=O)c1cnnn1-c1ccccc1Cl)c1ccccn1	ZINC000591862706	398796055	/nfs/dbraw/zinc/79/60/55/398796055.db2.gz	ZVNAAWBSALLELJ-NSHDSACASA-N	0	3	323.743	2.806	20	30		DFEDHN
CCc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000123181787	398796581	/nfs/dbraw/zinc/79/65/81/398796581.db2.gz	PEJJSXFFUXUAME-RDTXWAMCSA-N	0	3	301.434	2.954	20	30		DFEDHN
COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594424901	398797697	/nfs/dbraw/zinc/79/76/97/398797697.db2.gz	DMFGZOYNNZHDSF-HIFRSBDPSA-N	0	3	303.406	2.592	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1Cl	ZINC000594426923	398798600	/nfs/dbraw/zinc/79/86/00/398798600.db2.gz	HRGQXJIPADMDJD-JSGCOSHPSA-N	0	3	323.824	2.635	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC(c2ccc(O)cc2)CC1	ZINC000594428256	398798832	/nfs/dbraw/zinc/79/88/32/398798832.db2.gz	LVSCYBWZGHHRAB-KRWDZBQOSA-N	0	3	315.417	2.509	20	30		DFEDHN
CC(C)c1ccc(OCCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594427754	398798779	/nfs/dbraw/zinc/79/87/79/398798779.db2.gz	JEHZEIFHLKICFL-KRWDZBQOSA-N	0	3	317.433	2.716	20	30		DFEDHN
CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc(F)ccc1F	ZINC000594433180	398800622	/nfs/dbraw/zinc/80/06/22/398800622.db2.gz	MBIUUUARCRQNDQ-GJZGRUSLSA-N	0	3	309.360	2.943	20	30		DFEDHN
CO[C@H](CNC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1	ZINC000594432503	398800383	/nfs/dbraw/zinc/80/03/83/398800383.db2.gz	BTWRERZBZCPNJW-HUUCEWRRSA-N	0	3	323.824	2.555	20	30		DFEDHN
CSc1cc(C)ccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594433090	398800546	/nfs/dbraw/zinc/80/05/46/398800546.db2.gz	LEGPHSNRIMXALK-AWEZNQCLSA-N	0	3	305.447	2.744	20	30		DFEDHN
CO[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1	ZINC000594432501	398800551	/nfs/dbraw/zinc/80/05/51/398800551.db2.gz	BTWRERZBZCPNJW-CABCVRRESA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCSC2(CCCCC2)C1	ZINC000594434394	398801367	/nfs/dbraw/zinc/80/13/67/398801367.db2.gz	YZJHICDNFPJTNU-AWEZNQCLSA-N	0	3	309.479	2.676	20	30		DFEDHN
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594433996	398801551	/nfs/dbraw/zinc/80/15/51/398801551.db2.gz	WCFGWAKBPPQERA-NXHRZFHOSA-N	0	3	313.445	2.877	20	30		DFEDHN
CCCN(C(=O)[C@H](N)CCCCC#N)[C@H]1C[C@H](OCC)C1(C)C	ZINC000594433688	398801589	/nfs/dbraw/zinc/80/15/89/398801589.db2.gz	QQQRNMHDGBFLSE-PMPSAXMXSA-N	0	3	323.481	2.840	20	30		DFEDHN
CC(C)Nc1ccc(F)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594441006	398802937	/nfs/dbraw/zinc/80/29/37/398802937.db2.gz	KTYIPSLZZZUTCX-CYBMUJFWSA-N	0	3	306.385	2.996	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](N)CCCCC#N	ZINC000594439886	398803086	/nfs/dbraw/zinc/80/30/86/398803086.db2.gz	RVPDQCDKKHNAKZ-HOTGVXAUSA-N	0	3	315.417	2.600	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1ccncc1	ZINC000594441600	398803374	/nfs/dbraw/zinc/80/33/74/398803374.db2.gz	TVUPKXQKBCIUAH-ROUUACIJSA-N	0	3	322.412	2.698	20	30		DFEDHN
COc1ccc2ncc(C#N)c(NC3CCN(C4CC4)CC3)c2c1	ZINC000591892221	398804111	/nfs/dbraw/zinc/80/41/11/398804111.db2.gz	HAEUZKBLVPYGIB-UHFFFAOYSA-N	0	3	322.412	2.576	20	30		DFEDHN
CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1cccc(F)c1	ZINC000594443445	398804185	/nfs/dbraw/zinc/80/41/85/398804185.db2.gz	HTGPEROFSYSMGZ-OAHLLOKOSA-N	0	3	305.397	2.631	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000594444126	398804219	/nfs/dbraw/zinc/80/42/19/398804219.db2.gz	LDSHXDOLDVAEET-DOTOQJQBSA-N	0	3	317.408	2.628	20	30		DFEDHN
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594445267	398804481	/nfs/dbraw/zinc/80/44/81/398804481.db2.gz	JANHWRGNNCZYAX-AWEZNQCLSA-N	0	3	312.373	3.000	20	30		DFEDHN
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594445889	398804540	/nfs/dbraw/zinc/80/45/40/398804540.db2.gz	MZLJDYPACUYJEF-MEDUHNTESA-N	0	3	321.371	2.822	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C	ZINC000594445296	398804596	/nfs/dbraw/zinc/80/45/96/398804596.db2.gz	CSBLYUNXSOXCIU-OWCLPIDISA-N	0	3	323.481	2.840	20	30		DFEDHN
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594445891	398804651	/nfs/dbraw/zinc/80/46/51/398804651.db2.gz	MZLJDYPACUYJEF-ZBEGNZNMSA-N	0	3	321.371	2.822	20	30		DFEDHN
CC(C)(C)c1nc(CCNC(=O)[C@H](N)CCCCC#N)cs1	ZINC000594447538	398805241	/nfs/dbraw/zinc/80/52/41/398805241.db2.gz	YGGOIJYJGULKJZ-CYBMUJFWSA-N	0	3	322.478	2.511	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	ZINC000594447885	398805261	/nfs/dbraw/zinc/80/52/61/398805261.db2.gz	WYIHOHVXPXRKFX-BZSNNMDCSA-N	0	3	313.445	2.925	20	30		DFEDHN
Cc1ccc(CN(CC2CC2)C(=O)[C@H](N)CCCCC#N)cn1	ZINC000594448988	398805393	/nfs/dbraw/zinc/80/53/93/398805393.db2.gz	AGLNFOULFGNOQG-QGZVFWFLSA-N	0	3	314.433	2.540	20	30		DFEDHN
Cc1ccc(CN(CC2CC2)C(=O)[C@@H](N)CCCCC#N)cn1	ZINC000594448987	398805460	/nfs/dbraw/zinc/80/54/60/398805460.db2.gz	AGLNFOULFGNOQG-KRWDZBQOSA-N	0	3	314.433	2.540	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@](C)(CO)C1CCCCC1	ZINC000151342185	283281721	/nfs/dbraw/zinc/28/17/21/283281721.db2.gz	KYTCEIXYEUEJLZ-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
CC(C)COC[C@@H](O)CNCc1ccc(C(C)(C)C#N)cc1	ZINC000594496743	398810369	/nfs/dbraw/zinc/81/03/69/398810369.db2.gz	TYRIGIZGKCNYQI-KRWDZBQOSA-N	0	3	304.434	2.611	20	30		DFEDHN
C[C@@H](NC1CCN([C@H]2CCOC2)CC1)c1ccc(C#N)cc1F	ZINC000594499950	398811012	/nfs/dbraw/zinc/81/10/12/398811012.db2.gz	IFCNYPJCNBOKHM-CJNGLKHVSA-N	0	3	317.408	2.601	20	30		DFEDHN
C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O	ZINC000594514127	398814180	/nfs/dbraw/zinc/81/41/80/398814180.db2.gz	PTSQJLSRTKVHGG-KBRIMQKVSA-N	0	3	311.429	2.587	20	30		DFEDHN
CCC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000051451773	398822671	/nfs/dbraw/zinc/82/26/71/398822671.db2.gz	ZPQYRRLKMNLRDL-KRWDZBQOSA-N	0	3	302.418	2.614	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)[C@@H](CCO)c1ccccc1	ZINC000075900072	398828322	/nfs/dbraw/zinc/82/83/22/398828322.db2.gz	ZMJMBRGYSIJJBU-IBGZPJMESA-N	0	3	310.397	2.993	20	30		DFEDHN
CCC(C)(C)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000594592295	398825778	/nfs/dbraw/zinc/82/57/78/398825778.db2.gz	TWFILMHUPWFERF-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
Cc1nnc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1	ZINC000598514162	398826384	/nfs/dbraw/zinc/82/63/84/398826384.db2.gz	JGJGIYJMHOZACY-AWEZNQCLSA-N	0	3	314.414	2.578	20	30		DFEDHN
CCc1nnc(N[C@H]2CCCN3CCCC[C@H]23)c(C#N)c1CC	ZINC000594602386	398829053	/nfs/dbraw/zinc/82/90/53/398829053.db2.gz	QLBJXEFOOBUPCV-DLBZAZTESA-N	0	3	313.449	2.902	20	30		DFEDHN
N#Cc1cnc2ccccc2c1N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594603298	398829792	/nfs/dbraw/zinc/82/97/92/398829792.db2.gz	SYZRTHJMNXNSBV-ROUUACIJSA-N	0	3	306.413	2.957	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000179869145	199089765	/nfs/dbraw/zinc/08/97/65/199089765.db2.gz	HJOFJPWGDTVCIK-LLVKDONJSA-N	0	3	321.808	2.555	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)[C@H]1OC	ZINC000594612609	398833093	/nfs/dbraw/zinc/83/30/93/398833093.db2.gz	PEABNLSOUMDCNM-GVDBMIGSSA-N	0	3	302.418	2.770	20	30		DFEDHN
COc1ccc(CN(C[C@@H](C)O)C2CC2)cc1OCCCC#N	ZINC000594613806	398834039	/nfs/dbraw/zinc/83/40/39/398834039.db2.gz	DNCBRVNSKBWBIY-CQSZACIVSA-N	0	3	318.417	2.723	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H](C3CC3)[C@@H]3CCCCO3)n2c1	ZINC000594614932	398834100	/nfs/dbraw/zinc/83/41/00/398834100.db2.gz	MRDQDXBDMPQFOF-FUHWJXTLSA-N	0	3	310.401	2.643	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000598591255	398837123	/nfs/dbraw/zinc/83/71/23/398837123.db2.gz	XPNOTTJZWPXEOP-CABCVRRESA-N	0	3	316.401	2.853	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC2(CC1)OCc1ccccc12	ZINC000598592432	398837264	/nfs/dbraw/zinc/83/72/64/398837264.db2.gz	INBAKVFYHWXIKC-MRXNPFEDSA-N	0	3	314.429	2.809	20	30		DFEDHN
C=CCC[C@H](NCC(=O)Nc1nncs1)c1ccccc1	ZINC000180044468	199111466	/nfs/dbraw/zinc/11/14/66/199111466.db2.gz	NCQMKGFBIBJULS-ZDUSSCGKSA-N	0	3	302.403	2.774	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(Oc2ccc(F)cc2)CC1	ZINC000598591851	398838041	/nfs/dbraw/zinc/83/80/41/398838041.db2.gz	DCUZQOGOGVSQOX-HNNXBMFYSA-N	0	3	320.408	2.970	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)c1cccc(C#N)n1	ZINC000152482288	283325684	/nfs/dbraw/zinc/32/56/84/283325684.db2.gz	NUNILGAAIYBUGI-UHFFFAOYSA-N	0	3	308.429	2.954	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(CCCO)Cc1cccc(Cl)c1	ZINC000598597042	398838717	/nfs/dbraw/zinc/83/87/17/398838717.db2.gz	CRYQUXCBSVRMNX-MRXNPFEDSA-N	0	3	324.852	2.825	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000180073096	199114513	/nfs/dbraw/zinc/11/45/13/199114513.db2.gz	FWZRVUNIDJZOKO-ABAIWWIYSA-N	0	3	324.346	2.884	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@H]1OCCc2sccc21	ZINC000598618268	398841949	/nfs/dbraw/zinc/84/19/49/398841949.db2.gz	NSHDZVQLVXJYIT-SLEUVZQESA-N	0	3	308.447	2.641	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](c1cccs1)C(C)(C)CO	ZINC000598616198	398842172	/nfs/dbraw/zinc/84/21/72/398842172.db2.gz	KFWDLEFZIUTEGJ-OCCSQVGLSA-N	0	3	310.463	2.698	20	30		DFEDHN
COC(=O)c1cc(CNCC(C)(C)CC#N)n2c1CCCC2	ZINC000598645093	398847034	/nfs/dbraw/zinc/84/70/34/398847034.db2.gz	DDKKHMUAZARUND-UHFFFAOYSA-N	0	3	303.406	2.640	20	30		DFEDHN
CCCC(=O)Nc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1	ZINC000598713374	398860126	/nfs/dbraw/zinc/86/01/26/398860126.db2.gz	BNBYBYZJGGMQHT-INIZCTEOSA-N	0	3	317.433	2.816	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cccc(OC2CC2)c1F	ZINC000598705439	398858363	/nfs/dbraw/zinc/85/83/63/398858363.db2.gz	JNORGDLGAUBKCL-CYBMUJFWSA-N	0	3	306.381	2.757	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1cccnc1OC1CCCC1	ZINC000598713788	398859936	/nfs/dbraw/zinc/85/99/36/398859936.db2.gz	DCNUPJXCUKMJFI-HNNXBMFYSA-N	0	3	317.433	2.793	20	30		DFEDHN
C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1CO	ZINC000598678352	398854278	/nfs/dbraw/zinc/85/42/78/398854278.db2.gz	WTJBJQZQPFCUIW-RDJZCZTQSA-N	0	3	302.418	2.819	20	30		DFEDHN
CN(CCCC(=O)OC(C)(C)C)CCOc1ccc(C#N)cc1	ZINC000076416650	398855979	/nfs/dbraw/zinc/85/59/79/398855979.db2.gz	LCRLQSAXKMMUKC-UHFFFAOYSA-N	0	3	318.417	2.991	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2c(F)cccc21	ZINC000598723093	398861759	/nfs/dbraw/zinc/86/17/59/398861759.db2.gz	DRDUUGAWLYKFDD-DOMZBBRYSA-N	0	3	306.381	2.930	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CN(C)CCO2)cc1	ZINC000180487161	199164818	/nfs/dbraw/zinc/16/48/18/199164818.db2.gz	ZZAZNFODFXJKIH-YOEHRIQHSA-N	0	3	324.852	2.799	20	30		DFEDHN
Cn1c(CNC[C@@H](O)CC(C)(C)C#N)nc2cc(Cl)ccc21	ZINC000598722910	398861586	/nfs/dbraw/zinc/86/15/86/398861586.db2.gz	BQNUYVLPPLDXLU-LBPRGKRZSA-N	0	3	320.824	2.617	20	30		DFEDHN
CCc1cccc2c1OCC[C@@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598721718	398861713	/nfs/dbraw/zinc/86/17/13/398861713.db2.gz	YNOCDROPSSOOGC-ZBFHGGJFSA-N	0	3	302.418	2.963	20	30		DFEDHN
C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NCc1ccco1	ZINC000594922492	398872450	/nfs/dbraw/zinc/87/24/50/398872450.db2.gz	GGOAYAGAJCLIPY-CQSZACIVSA-N	0	3	323.396	2.629	20	30		DFEDHN
Cc1cc(CNCC2(S(C)(=O)=O)CCCCC2)ccc1C#N	ZINC000594974622	398884481	/nfs/dbraw/zinc/88/44/81/398884481.db2.gz	BXVJMRADLFAJAK-UHFFFAOYSA-N	0	3	320.458	2.704	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CNCC1(C#N)CCCCC1	ZINC000594980811	398886095	/nfs/dbraw/zinc/88/60/95/398886095.db2.gz	BLEBRQQJKLVPKE-JKSUJKDBSA-N	0	3	316.449	2.951	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nccn1C	ZINC000595000451	398889420	/nfs/dbraw/zinc/88/94/20/398889420.db2.gz	JKUKLSVOQQZQNC-AWEZNQCLSA-N	0	3	309.417	2.611	20	30		DFEDHN
C#CCSCCN[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000181100949	199252931	/nfs/dbraw/zinc/25/29/31/199252931.db2.gz	WMEAPZULRPOANH-ZDUSSCGKSA-N	0	3	304.415	2.660	20	30		DFEDHN
COC[C@@H](CC1CCOCC1)NCc1ccc(C#N)cc1F	ZINC000595010870	398890820	/nfs/dbraw/zinc/89/08/20/398890820.db2.gz	JNRWHVLIRHYKSM-MRXNPFEDSA-N	0	3	306.381	2.619	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC	ZINC000595054108	398898427	/nfs/dbraw/zinc/89/84/27/398898427.db2.gz	XMGRDMNNGAPFLS-DFBGVHRSSA-N	0	3	306.362	2.988	20	30		DFEDHN
C=CCCOCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000142859562	398900084	/nfs/dbraw/zinc/90/00/84/398900084.db2.gz	ZFMGFTDVDHSWDQ-QGZVFWFLSA-N	0	3	304.434	2.561	20	30		DFEDHN
COC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C1CCOCC1	ZINC000595072349	398902186	/nfs/dbraw/zinc/90/21/86/398902186.db2.gz	RZGNNFMBEPXJBC-SJKOYZFVSA-N	0	3	306.381	2.790	20	30		DFEDHN
C#CCOc1ccc(CNC[C@@](C)(O)c2ccsc2)cc1	ZINC000077460313	398904460	/nfs/dbraw/zinc/90/44/60/398904460.db2.gz	JROAYJDZHLAUDY-QGZVFWFLSA-N	0	3	301.411	2.757	20	30		DFEDHN
Cc1nc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N	ZINC000187198243	200076644	/nfs/dbraw/zinc/07/66/44/200076644.db2.gz	AGDLVXMGWGNJPC-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)cc1	ZINC000595224876	398911180	/nfs/dbraw/zinc/91/11/80/398911180.db2.gz	JCPSSMIXDOQCGM-QZTJIDSGSA-N	0	3	323.371	2.654	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1	ZINC000595250527	398913026	/nfs/dbraw/zinc/91/30/26/398913026.db2.gz	OPUIYRKMBPYGGZ-LBPRGKRZSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc2ccn(C(F)F)c2c1	ZINC000595255425	398913204	/nfs/dbraw/zinc/91/32/04/398913204.db2.gz	VFWAMLUJSHBZTJ-GFCCVEGCSA-N	0	3	306.316	2.996	20	30		DFEDHN
CCCN(Cc1ccccc1F)C(=O)[C@H](N)CCCCC#N	ZINC000595257691	398913373	/nfs/dbraw/zinc/91/33/73/398913373.db2.gz	OGDYPAJRSIVTRT-MRXNPFEDSA-N	0	3	305.397	2.976	20	30		DFEDHN
C=CCCSCCNC(=O)N1CCc2ccccc2[C@@H]1CN	ZINC000595271300	398914738	/nfs/dbraw/zinc/91/47/38/398914738.db2.gz	KGVURGYBYCHJEP-INIZCTEOSA-N	0	3	319.474	2.563	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)CC1(O)CCSCC1	ZINC000595297456	398918541	/nfs/dbraw/zinc/91/85/41/398918541.db2.gz	UPZOECIJFAFAAF-UHFFFAOYSA-N	0	3	302.443	2.804	20	30		DFEDHN
N#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1	ZINC000599144516	398928427	/nfs/dbraw/zinc/92/84/27/398928427.db2.gz	VYKDKJGZVXVUFT-WBVHZDCISA-N	0	3	318.465	2.729	20	30		DFEDHN
CO[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C	ZINC000189372535	200388457	/nfs/dbraw/zinc/38/84/57/200388457.db2.gz	UFZAJFFJVGBVFX-KSSFIOAISA-N	0	3	324.428	2.816	20	30		DFEDHN
CS[C@H](CO)[C@H](C)NCc1cccc(OCCCC#N)c1	ZINC000152489217	398931618	/nfs/dbraw/zinc/93/16/18/398931618.db2.gz	IJBRJVQNGTZHJU-XJKSGUPXSA-N	0	3	308.447	2.571	20	30		DFEDHN
CN(CCc1ccc(C#N)cc1)Cc1cn(C)nc1C(F)(F)F	ZINC000595395909	398932141	/nfs/dbraw/zinc/93/21/41/398932141.db2.gz	RSTUTFDJIRRHRV-UHFFFAOYSA-N	0	3	322.334	2.985	20	30		DFEDHN
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCO1	ZINC000281177422	216131908	/nfs/dbraw/zinc/13/19/08/216131908.db2.gz	HIWBEFRZPVNGJY-GOSISDBHSA-N	0	3	324.428	2.960	20	30		DFEDHN
C=CCN(Cc1cccs1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599252033	398943324	/nfs/dbraw/zinc/94/33/24/398943324.db2.gz	KVLZMHCNSBPEAB-OAHLLOKOSA-N	0	3	320.458	2.807	20	30		DFEDHN
N#Cc1ccc(CCN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1	ZINC000595463839	398943828	/nfs/dbraw/zinc/94/38/28/398943828.db2.gz	AROBPUNNULZSGZ-GJZGRUSLSA-N	0	3	312.335	2.736	20	30		DFEDHN
C=CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1C#N	ZINC000599260344	398944091	/nfs/dbraw/zinc/94/40/91/398944091.db2.gz	ZGGLKPBFHFHPCL-IBGZPJMESA-N	0	3	322.408	2.986	20	30		DFEDHN
COCCN(C[C@H](O)CC1(C#N)CC1)[C@@H](C)c1ccccc1	ZINC000599272304	398946046	/nfs/dbraw/zinc/94/60/46/398946046.db2.gz	RRFKJEVBQDPLKM-DOTOQJQBSA-N	0	3	302.418	2.751	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C#N	ZINC000599279176	398947062	/nfs/dbraw/zinc/94/70/62/398947062.db2.gz	MSUJUXWJBHYMAJ-KRWDZBQOSA-N	0	3	313.445	2.851	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)o1	ZINC000599294275	398948697	/nfs/dbraw/zinc/94/86/97/398948697.db2.gz	DVWGLPKXAPUUMS-HZPDHXFCSA-N	0	3	318.417	2.796	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)[C@H]1c1ccccc1	ZINC000599319189	398953328	/nfs/dbraw/zinc/95/33/28/398953328.db2.gz	XKYDJKIPPRQECW-KBAYOESNSA-N	0	3	314.429	2.751	20	30		DFEDHN
C[C@H](c1ccco1)N(C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599341019	398956402	/nfs/dbraw/zinc/95/64/02/398956402.db2.gz	JCBLXQXRZNSHGF-ZBFHGGJFSA-N	0	3	318.417	2.876	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccc(F)c(F)c1	ZINC000599344266	398957090	/nfs/dbraw/zinc/95/70/90/398957090.db2.gz	BGGYDJJWPISCSK-OCCSQVGLSA-N	0	3	324.371	2.687	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(OC(F)F)c1	ZINC000599351292	398958723	/nfs/dbraw/zinc/95/87/23/398958723.db2.gz	XFZZYNOAPFECJA-WCQYABFASA-N	0	3	310.344	2.993	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(F)c1F	ZINC000599353263	398958904	/nfs/dbraw/zinc/95/89/04/398958904.db2.gz	HEXJJJQZKDBGRS-QWHCGFSZSA-N	0	3	324.371	2.687	20	30		DFEDHN
Cc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CCOCC2)cc1F	ZINC000599354270	398960343	/nfs/dbraw/zinc/96/03/43/398960343.db2.gz	OSLHSZWINBODFB-HOCLYGCPSA-N	0	3	320.408	2.856	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000158821249	398960718	/nfs/dbraw/zinc/96/07/18/398960718.db2.gz	WTWSTUVOEMVGFP-UKRRQHHQSA-N	0	3	306.431	2.500	20	30		DFEDHN
COCCCN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1	ZINC000292593375	223163905	/nfs/dbraw/zinc/16/39/05/223163905.db2.gz	LVECBHVUAXYOFW-UHFFFAOYSA-N	0	3	322.840	2.828	20	30		DFEDHN
COc1cc(CN[C@H](CN(C)C)c2ccccc2)ccc1C#N	ZINC000281467582	216320509	/nfs/dbraw/zinc/32/05/09/216320509.db2.gz	BHABDUJJMPWMIK-GOSISDBHSA-N	0	3	309.413	2.959	20	30		DFEDHN
Cc1nc(C)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)o1	ZINC000600160862	398978729	/nfs/dbraw/zinc/97/87/29/398978729.db2.gz	HBRMAGWLTKGLKI-UHFFFAOYSA-N	0	3	312.417	2.727	20	30		DFEDHN
Cc1ccccc1C1(NC[C@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599455940	398987644	/nfs/dbraw/zinc/98/76/44/398987644.db2.gz	ZKRBNPQRVMLCNJ-MRXNPFEDSA-N	0	3	314.429	2.645	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN1CCCCC1	ZINC000194588664	201257488	/nfs/dbraw/zinc/25/74/88/201257488.db2.gz	JWMLWDUZCLKDLA-AWEZNQCLSA-N	0	3	300.406	2.863	20	30		DFEDHN
CC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599451401	398986712	/nfs/dbraw/zinc/98/67/12/398986712.db2.gz	XMOYGLCWZIURML-PBHICJAKSA-N	0	3	320.408	2.938	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000595609171	398997459	/nfs/dbraw/zinc/99/74/59/398997459.db2.gz	HMUQSRCOSDUVHG-DLBZAZTESA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H](O)COc2cccc3[nH]ccc32)C1	ZINC000595614755	399001590	/nfs/dbraw/zinc/00/15/90/399001590.db2.gz	NQBGNAKGASPOLV-GJZGRUSLSA-N	0	3	313.401	2.533	20	30		DFEDHN
N#CC[C@@H]1CCCN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000595623650	399007671	/nfs/dbraw/zinc/00/76/71/399007671.db2.gz	WHCUROBQHPTBIO-KRWDZBQOSA-N	0	3	313.445	2.644	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(C)c(C#N)c2)n1	ZINC000599542016	399007437	/nfs/dbraw/zinc/00/74/37/399007437.db2.gz	WYRUOYNHIZHOFC-SFHVURJKSA-N	0	3	309.417	2.740	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1	ZINC000595623666	399008090	/nfs/dbraw/zinc/00/80/90/399008090.db2.gz	WPIAIBPXSHZCLQ-IRXDYDNUSA-N	0	3	311.429	2.774	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000079008036	399008603	/nfs/dbraw/zinc/00/86/03/399008603.db2.gz	UWWOBRHCMRDCLW-DOTOQJQBSA-N	0	3	314.433	2.625	20	30		DFEDHN
CS[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1	ZINC000275522488	212392991	/nfs/dbraw/zinc/39/29/91/212392991.db2.gz	WWEBKDAZMJEIKW-LSDHHAIUSA-N	0	3	323.412	2.852	20	30		DFEDHN
C[C@@H]1C[C@H](CN2CCN(c3ccsc3C#N)CC2)CCO1	ZINC000595629832	399010823	/nfs/dbraw/zinc/01/08/23/399010823.db2.gz	MUEKGTBCIPYISO-ZIAGYGMSSA-N	0	3	305.447	2.557	20	30		DFEDHN
CCC(C)(C)[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000595638980	399014346	/nfs/dbraw/zinc/01/43/46/399014346.db2.gz	QLALDSZMNPHMNO-CYBMUJFWSA-N	0	3	308.447	2.746	20	30		DFEDHN
Cc1ccsc1CN(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000057158976	399020375	/nfs/dbraw/zinc/02/03/75/399020375.db2.gz	FMNYWKCADCBYNA-HNNXBMFYSA-N	0	3	316.426	2.800	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1	ZINC000057152780	399019051	/nfs/dbraw/zinc/01/90/51/399019051.db2.gz	CZFOXXGPGKELCS-UHFFFAOYSA-N	0	3	324.468	2.960	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC(F)(F)CC2)cc1	ZINC000600253289	399019426	/nfs/dbraw/zinc/01/94/26/399019426.db2.gz	AAEIOOQQVFNMIS-HNNXBMFYSA-N	0	3	317.339	2.888	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1	ZINC000079201471	399023776	/nfs/dbraw/zinc/02/37/76/399023776.db2.gz	YNJDRJWRSOMKIC-QGZVFWFLSA-N	0	3	317.408	2.595	20	30		DFEDHN
COc1ccc(C(C)(C)NC[C@H](O)CC(C)(C)C#N)cc1F	ZINC000599598740	399025970	/nfs/dbraw/zinc/02/59/70/399025970.db2.gz	SRXGIXAOOKOJCR-CYBMUJFWSA-N	0	3	308.397	2.960	20	30		DFEDHN
C[C@@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1	ZINC000599632648	399035830	/nfs/dbraw/zinc/03/58/30/399035830.db2.gz	AKQAFXAUCVSABQ-KBXCAEBGSA-N	0	3	305.466	2.943	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN[C@@H]2CCCC[C@H]2C#N)C1	ZINC000595692941	399037611	/nfs/dbraw/zinc/03/76/11/399037611.db2.gz	ZIQYDKWXSZVFLE-OWCLPIDISA-N	0	3	305.466	2.943	20	30		DFEDHN
CCO[C@@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000092040838	193146056	/nfs/dbraw/zinc/14/60/56/193146056.db2.gz	FTDUNLIAUXJPCI-DLBZAZTESA-N	0	3	324.428	2.985	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN[C@H]2CCCC[C@@H]2C#N)C1	ZINC000595692940	399038176	/nfs/dbraw/zinc/03/81/76/399038176.db2.gz	ZIQYDKWXSZVFLE-OAGGEKHMSA-N	0	3	305.466	2.943	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCC(OC)CC1)C(C)C	ZINC000079440220	399045548	/nfs/dbraw/zinc/04/55/48/399045548.db2.gz	HFAZEWIDQJSAAI-QGZVFWFLSA-N	0	3	323.481	2.505	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000595706140	399047278	/nfs/dbraw/zinc/04/72/78/399047278.db2.gz	GSKZQWRHEAJRAM-FCZZECIWSA-N	0	3	313.445	2.747	20	30		DFEDHN
C=CCCSCCNC(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000595725578	399055549	/nfs/dbraw/zinc/05/55/49/399055549.db2.gz	MCSUMLLRBADTFW-HNNXBMFYSA-N	0	3	311.495	2.566	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)cc(OC)c1O	ZINC000621737490	399057191	/nfs/dbraw/zinc/05/71/91/399057191.db2.gz	RGEJFMPROLAZPG-CZUORRHYSA-N	0	3	305.418	2.580	20	30		DFEDHN
CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000275282723	212246545	/nfs/dbraw/zinc/24/65/45/212246545.db2.gz	WKSADZFYZGEYKI-LSDHHAIUSA-N	0	3	321.808	2.697	20	30		DFEDHN
CC(C)CNC(=O)CCCN1CCc2c(CC#N)cccc2C1	ZINC000599679314	399059522	/nfs/dbraw/zinc/05/95/22/399059522.db2.gz	YCMNAFLKNHQRES-UHFFFAOYSA-N	0	3	313.445	2.663	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000595732205	399060077	/nfs/dbraw/zinc/06/00/77/399060077.db2.gz	CZHVTKZDSXHWIA-KRWDZBQOSA-N	0	3	316.449	2.545	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CC[C@@H](C2CCCCC2)C1)C1CC1	ZINC000595738717	399064070	/nfs/dbraw/zinc/06/40/70/399064070.db2.gz	NLVJKJNOMOGQND-CRAIPNDOSA-N	0	3	303.450	2.697	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000079735244	399079681	/nfs/dbraw/zinc/07/96/81/399079681.db2.gz	OZHCCILSXCYNPJ-QGZVFWFLSA-N	0	3	301.434	2.543	20	30		DFEDHN
CCCCN(C)CCNC(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000599815691	399097631	/nfs/dbraw/zinc/09/76/31/399097631.db2.gz	ANXSNYSRISPFCD-UHFFFAOYSA-N	0	3	322.384	2.559	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN2CCC[C@H](C3CCC3)C2)cc1	ZINC000595830691	399104219	/nfs/dbraw/zinc/10/42/19/399104219.db2.gz	AHIZOIDFMGYZBX-SFHVURJKSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=CC[C@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1	ZINC000275108187	212124488	/nfs/dbraw/zinc/12/44/88/212124488.db2.gz	FLJZXXCYZHCCPU-WMZOPIPTSA-N	0	3	318.486	2.900	20	30		DFEDHN
C[C@H](O)[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000183154824	335012540	/nfs/dbraw/zinc/01/25/40/335012540.db2.gz	BTFLWBXKDCNLEJ-GXTWGEPZSA-N	0	3	313.319	2.639	20	30		DFEDHN
C[C@@]1(C#N)CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000595844369	399111097	/nfs/dbraw/zinc/11/10/97/399111097.db2.gz	SDJRNNXAVXORAE-MOPGFXCFSA-N	0	3	313.445	2.513	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@]2(C)CCc3ccccc3C2)CC1	ZINC000080079423	399115777	/nfs/dbraw/zinc/11/57/77/399115777.db2.gz	HGOFXMBVOLJPKL-HXUWFJFHSA-N	0	3	312.457	2.948	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(c3ccc(F)cn3)CC2)cc1	ZINC000339970414	284147600	/nfs/dbraw/zinc/14/76/00/284147600.db2.gz	TVZKGANZVUGZNS-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
N#CC1(NC(=O)CN(CCC2CC2)CC2CC2)CCCCC1	ZINC000595871439	399117437	/nfs/dbraw/zinc/11/74/37/399117437.db2.gz	NYQJUWLVRQVNEA-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
C[C@@H](Cc1ccccc1)N(CC(=O)NCC#N)Cc1ccccc1	ZINC000595866364	399118094	/nfs/dbraw/zinc/11/80/94/399118094.db2.gz	KZVKAFQXKPQDCK-KRWDZBQOSA-N	0	3	321.424	2.760	20	30		DFEDHN
CC(C)[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1	ZINC000600719804	399123243	/nfs/dbraw/zinc/12/32/43/399123243.db2.gz	WQJXKXFPBWBPFP-CZUORRHYSA-N	0	3	312.417	2.904	20	30		DFEDHN
CCC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccn1	ZINC000600721331	399123941	/nfs/dbraw/zinc/12/39/41/399123941.db2.gz	LHNUQEUUUWHSAD-HOTGVXAUSA-N	0	3	317.433	2.584	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCCO2)CC1	ZINC000600721722	399124600	/nfs/dbraw/zinc/12/46/00/399124600.db2.gz	FLHWDJNEOKJDMG-BBWFWOEESA-N	0	3	300.402	2.551	20	30		DFEDHN
C#CCCOc1ccc(CN2CC[C@H](COCCOC)C2)cc1	ZINC000093755066	193299953	/nfs/dbraw/zinc/29/99/53/193299953.db2.gz	XYCHHVZDZPVMQS-SFHVURJKSA-N	0	3	317.429	2.574	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)CC1	ZINC000600731971	399127839	/nfs/dbraw/zinc/12/78/39/399127839.db2.gz	OIZHZDYEWJTVHC-UKRRQHHQSA-N	0	3	304.365	2.684	20	30		DFEDHN
C[C@@]1(F)CNCCN(Cc2ccc(C#N)cc2C(F)(F)F)C1	ZINC000595895593	399127013	/nfs/dbraw/zinc/12/70/13/399127013.db2.gz	PSRKQQPJIUUYBJ-CQSZACIVSA-N	0	3	315.314	2.710	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CNCc1ccc(C2CC2)cc1	ZINC000600734305	399128615	/nfs/dbraw/zinc/12/86/15/399128615.db2.gz	NOMIWEITXSAXNK-LJQANCHMSA-N	0	3	322.408	2.965	20	30		DFEDHN
Cc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1Br	ZINC000600735190	399130074	/nfs/dbraw/zinc/13/00/74/399130074.db2.gz	ISZLHZPFVBVAIC-CYBMUJFWSA-N	0	3	323.234	2.902	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1)C(CC)CC	ZINC000179790358	399130526	/nfs/dbraw/zinc/13/05/26/399130526.db2.gz	OYSJGQPTZFKFKA-KRWDZBQOSA-N	0	3	317.433	2.765	20	30		DFEDHN
C=CCC[C@H](NCC(=O)NC1CCOCC1)c1ccccc1	ZINC000180046032	399132246	/nfs/dbraw/zinc/13/22/46/399132246.db2.gz	DERGRDVRWCLYAH-KRWDZBQOSA-N	0	3	302.418	2.579	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)NCCN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000274915112	212029965	/nfs/dbraw/zinc/02/99/65/212029965.db2.gz	IFCFGSRZOMGEMP-MRXNPFEDSA-N	0	3	323.387	2.975	20	30		DFEDHN
C[C@](Cc1ccccc1)(NC(=O)[C@H](N)CCCCC#N)C1CC1	ZINC000595977078	399143994	/nfs/dbraw/zinc/14/39/94/399143994.db2.gz	YWYAUQMLBSMGGF-IEBWSBKVSA-N	0	3	313.445	2.925	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C#N)c1ccccc1	ZINC000182350925	399144083	/nfs/dbraw/zinc/14/40/83/399144083.db2.gz	MMPRUWHLRZDDNH-ZBFHGGJFSA-N	0	3	302.422	2.528	20	30		DFEDHN
C[C@H](c1ccc(-c2ccc([O-])c(C#N)c2)cc1)N1CC[NH2+]CC1	ZINC000600779291	399143385	/nfs/dbraw/zinc/14/33/85/399143385.db2.gz	AHWNQLCTIINPCJ-CQSZACIVSA-N	0	3	307.397	2.897	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C#N)c1ccsc1	ZINC000182523282	399144691	/nfs/dbraw/zinc/14/46/91/399144691.db2.gz	GYQXJZXHZDDAQJ-GXTWGEPZSA-N	0	3	308.451	2.590	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H](C)C#N)CC1	ZINC000182667890	399148298	/nfs/dbraw/zinc/14/82/98/399148298.db2.gz	CXLYTUFMHPUOEB-HUUCEWRRSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN(C)C1CCC1	ZINC000600815940	399154760	/nfs/dbraw/zinc/15/47/60/399154760.db2.gz	AKEMGZGLIOWSCC-UHFFFAOYSA-N	0	3	317.389	2.594	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H](CNCc1ccc(C#N)o1)C1CCC1	ZINC000596063988	399159783	/nfs/dbraw/zinc/15/97/83/399159783.db2.gz	QGXZFWXTFWLSIF-OAHLLOKOSA-N	0	3	304.390	2.999	20	30		DFEDHN
CCN(CC)[C@H](CNc1c(C#N)cnn1C)c1ccsc1	ZINC000596074034	399163350	/nfs/dbraw/zinc/16/33/50/399163350.db2.gz	OILKQBHHBCLRMZ-CQSZACIVSA-N	0	3	303.435	2.848	20	30		DFEDHN
CC(=O)NCC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614160629	399165462	/nfs/dbraw/zinc/16/54/62/399165462.db2.gz	PALGQAQCGMAGPH-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
C#CC[C@H](NC[C@@H](O)COCc1cccs1)c1ccccc1	ZINC000271734797	209167496	/nfs/dbraw/zinc/16/74/96/209167496.db2.gz	TUJHWPCJPSJIOL-AEFFLSMTSA-N	0	3	315.438	2.980	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1	ZINC000288232515	220034077	/nfs/dbraw/zinc/03/40/77/220034077.db2.gz	NNXJDCHOYHDQRI-WMLDXEAASA-N	0	3	307.401	2.732	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1	ZINC000614166465	399167821	/nfs/dbraw/zinc/16/78/21/399167821.db2.gz	KULZNVAFLXPNEK-QGZVFWFLSA-N	0	3	309.417	2.916	20	30		DFEDHN
CC(C)(CNC(=O)N[C@H]1CCCC[C@@H]1C#N)N1CCCCC1	ZINC000596091665	399169582	/nfs/dbraw/zinc/16/95/82/399169582.db2.gz	BUIOJOGIEPDNEE-CABCVRRESA-N	0	3	306.454	2.632	20	30		DFEDHN
CCC(CC)(CCO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000282506369	217048997	/nfs/dbraw/zinc/04/89/97/217048997.db2.gz	RJWIWUPQDLIDEJ-UHFFFAOYSA-N	0	3	323.824	2.681	20	30		DFEDHN
COC(=O)[C@@H]1CCCCCC[C@H]1NCc1ccnc(C#N)c1	ZINC000614214316	399176793	/nfs/dbraw/zinc/17/67/93/399176793.db2.gz	BUQCZWIBHAVSMH-HZPDHXFCSA-N	0	3	301.390	2.555	20	30		DFEDHN
CN(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Cl)cc1	ZINC000282681023	217171915	/nfs/dbraw/zinc/17/19/15/217171915.db2.gz	KKEWFCHLCNCXLO-KRWDZBQOSA-N	0	3	316.836	2.943	20	30		DFEDHN
Cc1ccc(C#N)nc1NCc1ccccc1OCCN(C)C	ZINC000596118372	399179472	/nfs/dbraw/zinc/17/94/72/399179472.db2.gz	XPVSGGMFUPEONY-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
CC(C)[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1CCCCC1	ZINC000080791631	399181012	/nfs/dbraw/zinc/18/10/12/399181012.db2.gz	YCYZKLGPALHTTP-KRWDZBQOSA-N	0	3	317.408	2.824	20	30		DFEDHN
C=CCOc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1OC	ZINC000265960451	205000134	/nfs/dbraw/zinc/00/01/34/205000134.db2.gz	IZWGTEQGCWDGCZ-HNNXBMFYSA-N	0	3	317.385	2.985	20	30		DFEDHN
N#Cc1cc2cccnc2nc1N1CC[C@H](N2CCCCC2)C1	ZINC000596122897	399182028	/nfs/dbraw/zinc/18/20/28/399182028.db2.gz	QHPMMHFNWGJLGE-INIZCTEOSA-N	0	3	307.401	2.566	20	30		DFEDHN
COCCN1CCC(Nc2c(C#N)cnc3ccccc32)CC1	ZINC000266083392	205083969	/nfs/dbraw/zinc/08/39/69/205083969.db2.gz	GLDOJBUDBBVQRP-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C#N)c1	ZINC000596145573	399190394	/nfs/dbraw/zinc/19/03/94/399190394.db2.gz	QITVZBWCWTYTMR-IAGOWNOFSA-N	0	3	314.433	2.630	20	30		DFEDHN
COc1ccc(CNC[C@@](C)(O)c2ccsc2)cc1C#N	ZINC000266187502	205169385	/nfs/dbraw/zinc/16/93/85/205169385.db2.gz	XLBDRYIMADDACK-MRXNPFEDSA-N	0	3	302.399	2.626	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596158757	399196012	/nfs/dbraw/zinc/19/60/12/399196012.db2.gz	IXOHDFYQUPNJBC-IRXDYDNUSA-N	0	3	321.428	2.955	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2snnc2C(C)(C)C)CC1	ZINC000191955400	335018386	/nfs/dbraw/zinc/01/83/86/335018386.db2.gz	XQKNOCSUHJGLKU-UHFFFAOYSA-N	0	3	322.478	2.606	20	30		DFEDHN
CN1CCC(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000266336719	205276689	/nfs/dbraw/zinc/27/66/89/205276689.db2.gz	WBRJWKZGTDBGJT-UHFFFAOYSA-N	0	3	319.408	2.762	20	30		DFEDHN
C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(C#N)cc1	ZINC000266447431	205353622	/nfs/dbraw/zinc/35/36/22/205353622.db2.gz	IJPGBVCLKREKFN-OAHLLOKOSA-N	0	3	322.412	2.641	20	30		DFEDHN
C[C@H](NCc1ccc(N2CCOCC2)nc1)c1ccc(C#N)cc1	ZINC000266447429	205354764	/nfs/dbraw/zinc/35/47/64/205354764.db2.gz	IJPGBVCLKREKFN-HNNXBMFYSA-N	0	3	322.412	2.641	20	30		DFEDHN
N#Cc1ccnc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1	ZINC000282916990	217322460	/nfs/dbraw/zinc/32/24/60/217322460.db2.gz	IKGQBAWHNYLDRI-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
N#CCc1ccc(OC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1	ZINC000601068580	399216881	/nfs/dbraw/zinc/21/68/81/399216881.db2.gz	HNZIRAJKEBHHAP-HXUWFJFHSA-N	0	3	322.408	2.768	20	30		DFEDHN
N#Cc1ccccc1OC[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000601070709	399218022	/nfs/dbraw/zinc/21/80/22/399218022.db2.gz	SLGQKTUPYUISOS-LJQANCHMSA-N	0	3	308.381	2.574	20	30		DFEDHN
CNC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1	ZINC000618742300	399226970	/nfs/dbraw/zinc/22/69/70/399226970.db2.gz	MBHSCQREEZNSMP-SFHVURJKSA-N	0	3	305.381	2.695	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1	ZINC000081342619	399227396	/nfs/dbraw/zinc/22/73/96/399227396.db2.gz	QRMVKZLYUPIMLB-QGZVFWFLSA-N	0	3	311.360	2.882	20	30		DFEDHN
COc1ccccc1C[C@@](C)(CO)NCc1cccc(C#N)c1	ZINC000601153571	399242387	/nfs/dbraw/zinc/24/23/87/399242387.db2.gz	QLCBDCCBBADKCD-IBGZPJMESA-N	0	3	310.397	2.650	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)CC[C@@H]1CCOC1)C(C)C	ZINC000267563862	206146763	/nfs/dbraw/zinc/14/67/63/206146763.db2.gz	HASZVNFQNVTYKI-IAGOWNOFSA-N	0	3	308.466	2.618	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1cccs1	ZINC000267680311	206213883	/nfs/dbraw/zinc/21/38/83/206213883.db2.gz	BUPHTEBCBADLHD-AWEZNQCLSA-N	0	3	310.463	2.620	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417649308	335030237	/nfs/dbraw/zinc/03/02/37/335030237.db2.gz	JHYZHSNPLDMFGW-CYBMUJFWSA-N	0	3	321.421	2.722	20	30		DFEDHN
CCN(CC(=O)Nc1ccccc1OC)C[C@@H](C)CCC#N	ZINC000618887013	399252529	/nfs/dbraw/zinc/25/25/29/399252529.db2.gz	FCYDRKHUCAGYCH-AWEZNQCLSA-N	0	3	303.406	2.895	20	30		DFEDHN
C=CCC[C@@H](O)CN(C)CCc1nc(-c2ccccc2)no1	ZINC000286226315	335030896	/nfs/dbraw/zinc/03/08/96/335030896.db2.gz	YYNGUWFXSOCKAN-OAHLLOKOSA-N	0	3	301.390	2.538	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](C1CC1)N1CCCC1	ZINC000618891661	399253150	/nfs/dbraw/zinc/25/31/50/399253150.db2.gz	BMNUYALROQGGGW-ZWKOTPCHSA-N	0	3	309.413	2.536	20	30		DFEDHN
C=C[C@](C)(O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC	ZINC000614674784	399258146	/nfs/dbraw/zinc/25/81/46/399258146.db2.gz	OFPRNGBQILPXEQ-WBVHZDCISA-N	0	3	324.852	2.776	20	30		DFEDHN
CC(C)C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCCC1	ZINC000267788942	206282007	/nfs/dbraw/zinc/28/20/07/206282007.db2.gz	XUWRIVUBAJSIDQ-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
CC(=O)Nc1ccn([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)n1	ZINC000614740420	399265016	/nfs/dbraw/zinc/26/50/16/399265016.db2.gz	GSLMBEMZFDOEEP-CXAGYDPISA-N	0	3	323.400	2.721	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@H]2NC1CN(c2ccncn2)C1	ZINC000601304891	399274375	/nfs/dbraw/zinc/27/43/75/399274375.db2.gz	WMWCJENLKUVYNS-GOSISDBHSA-N	0	3	319.412	2.594	20	30		DFEDHN
C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)[C@H](c1ccccc1)N(C)C	ZINC000601456614	399291612	/nfs/dbraw/zinc/29/16/12/399291612.db2.gz	QIWFPJIGJWUQFT-GDBMZVCRSA-N	0	3	311.429	2.878	20	30		DFEDHN
N#CCN1CCC(NCc2csc(Br)c2)CC1	ZINC000609334910	399314259	/nfs/dbraw/zinc/31/42/59/399314259.db2.gz	KIJXPWLIROBMEN-UHFFFAOYSA-N	0	3	314.252	2.588	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000609589150	399325312	/nfs/dbraw/zinc/32/53/12/399325312.db2.gz	ISDOUPNCMKWYNZ-CABZTGNLSA-N	0	3	312.200	2.626	20	30		DFEDHN
C[C@H](C#N)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1	ZINC000601706518	399325378	/nfs/dbraw/zinc/32/53/78/399325378.db2.gz	XHKFUZGIAUEVNG-MFKMUULPSA-N	0	3	313.323	2.584	20	30		DFEDHN
Cc1noc(C)c1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619291447	399325580	/nfs/dbraw/zinc/32/55/80/399325580.db2.gz	SAPQMWAYIJXMHP-ZBEGNZNMSA-N	0	3	322.368	2.723	20	30		DFEDHN
Cc1ccncc1[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000619384953	399336321	/nfs/dbraw/zinc/33/63/21/399336321.db2.gz	HJEFZBOZAUWPOT-YOEHRIQHSA-N	0	3	318.380	2.821	20	30		DFEDHN
C#C[C@@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000287228575	335042071	/nfs/dbraw/zinc/04/20/71/335042071.db2.gz	VJERPLLXFVLQEO-OAHLLOKOSA-N	0	3	315.417	2.695	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000610351953	399359594	/nfs/dbraw/zinc/35/95/94/399359594.db2.gz	WEVOVMNSOMFXJT-RHSMWYFYSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncccc2C(=O)OCC)CC1	ZINC000273877690	211136754	/nfs/dbraw/zinc/13/67/54/211136754.db2.gz	PZRBWGXAMYXEMM-UHFFFAOYSA-N	0	3	303.406	2.711	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610476045	399370789	/nfs/dbraw/zinc/37/07/89/399370789.db2.gz	XQMXIOJPKMLYPE-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
COc1cc(CN[C@H](CO)[C@H](C)c2ccccc2)ccc1C#N	ZINC000619654017	399372002	/nfs/dbraw/zinc/37/20/02/399372002.db2.gz	YVONSMHFHFFUQJ-RDTXWAMCSA-N	0	3	310.397	2.821	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)Cc1cccc(C#N)c1)c1ccccc1	ZINC000610520194	399376686	/nfs/dbraw/zinc/37/66/86/399376686.db2.gz	JFXKZAJWAQPDDK-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1c(F)cccc1CNC1CCN(Cc2ccccn2)CC1	ZINC000602007844	399382448	/nfs/dbraw/zinc/38/24/48/399382448.db2.gz	ZVTDYUHCPSPIAT-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
N#CCC[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccccc1	ZINC000602012344	399383941	/nfs/dbraw/zinc/38/39/41/399383941.db2.gz	OOHHSQBMLIUPQL-HZPDHXFCSA-N	0	3	306.431	2.588	20	30		DFEDHN
CC(C)[C@@H](CNCc1cccc(F)c1C#N)c1ccnn1C	ZINC000602017140	399385032	/nfs/dbraw/zinc/38/50/32/399385032.db2.gz	NNXGEYIHKYMFCI-OAHLLOKOSA-N	0	3	300.381	2.960	20	30		DFEDHN
COC(=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000602019844	399385970	/nfs/dbraw/zinc/38/59/70/399385970.db2.gz	JUWZUPMKSYXBQT-QGZVFWFLSA-N	0	3	323.396	2.851	20	30		DFEDHN
C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)C1CC1	ZINC000285312480	218376575	/nfs/dbraw/zinc/37/65/75/218376575.db2.gz	MEWUKBOKQXPALK-GFCCVEGCSA-N	0	3	317.408	2.574	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CN1C1CC1	ZINC000610654045	399388810	/nfs/dbraw/zinc/38/88/10/399388810.db2.gz	DUYLOFUBIRJSJO-HIFRSBDPSA-N	0	3	322.412	2.520	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccsc1	ZINC000619783238	399391740	/nfs/dbraw/zinc/39/17/40/399391740.db2.gz	PYDDCIFFNCEWNV-BBRMVZONSA-N	0	3	316.426	2.905	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000610690384	399394020	/nfs/dbraw/zinc/39/40/20/399394020.db2.gz	HXCFDOKTNJFSMS-GOEBONIOSA-N	0	3	324.428	2.623	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619827991	399394880	/nfs/dbraw/zinc/39/48/80/399394880.db2.gz	HYNSSHSOYMSWSB-UHFFFAOYSA-N	0	3	322.840	2.693	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(F)cc(Br)cc2C1	ZINC000610728098	399398693	/nfs/dbraw/zinc/39/86/93/399398693.db2.gz	VXVWQNHQRFTDLS-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
COc1cccc(CCNC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602187343	399407225	/nfs/dbraw/zinc/40/72/25/399407225.db2.gz	GKEGXRASMCBWBZ-INIZCTEOSA-N	0	3	323.396	2.521	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCn2nccc21	ZINC000602215724	399411232	/nfs/dbraw/zinc/41/12/32/399411232.db2.gz	YFTBNOWWILBEPA-HZPDHXFCSA-N	0	3	308.385	2.607	20	30		DFEDHN
C[C@H]1COCCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000610990652	399425267	/nfs/dbraw/zinc/42/52/67/399425267.db2.gz	FTTCUCRQNXEOMX-LBPRGKRZSA-N	0	3	321.808	2.651	20	30		DFEDHN
CN1CCC(NC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000611093006	399433595	/nfs/dbraw/zinc/43/35/95/399433595.db2.gz	ZBPPOKBCIGCEQX-UHFFFAOYSA-N	0	3	312.200	2.689	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1	ZINC000623634865	399432448	/nfs/dbraw/zinc/43/24/48/399432448.db2.gz	CDKDNMIZSQYNMA-STQMWFEESA-N	0	3	315.408	2.570	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1C#N	ZINC000611121008	399436005	/nfs/dbraw/zinc/43/60/05/399436005.db2.gz	ZXSBWXAGLUYOHF-KDOFPFPSSA-N	0	3	311.429	2.685	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccccc1C#N	ZINC000611120876	399436197	/nfs/dbraw/zinc/43/61/97/399436197.db2.gz	DLRHYWKSXFRIJW-QAPCUYQASA-N	0	3	313.445	2.931	20	30		DFEDHN
CCN(CC[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000611170489	399441245	/nfs/dbraw/zinc/44/12/45/399441245.db2.gz	QDJIJQNACABLTP-HOCLYGCPSA-N	0	3	320.458	2.766	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000602452226	399448048	/nfs/dbraw/zinc/44/80/48/399448048.db2.gz	JDZDCCGSUXOPMV-CQSZACIVSA-N	0	3	302.378	2.657	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000602452223	399448099	/nfs/dbraw/zinc/44/80/99/399448099.db2.gz	JDZDCCGSUXOPMV-AWEZNQCLSA-N	0	3	302.378	2.657	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)Cc1ccccc1-n1cncn1	ZINC000611254413	399451695	/nfs/dbraw/zinc/45/16/95/399451695.db2.gz	SNUHRUKNFJKQJI-UHFFFAOYSA-N	0	3	303.369	2.771	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C)CC(=O)N(CC)CC)cc1	ZINC000287342352	335045434	/nfs/dbraw/zinc/04/54/34/335045434.db2.gz	GKDYSZHCEBQBKF-HNNXBMFYSA-N	0	3	304.434	2.988	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CNC2(c3ccccc3)CC2)cc1	ZINC000611385906	399468250	/nfs/dbraw/zinc/46/82/50/399468250.db2.gz	NSKWTCOWQLNKTH-SFHVURJKSA-N	0	3	322.408	2.771	20	30		DFEDHN
N#C[C@@]1(C(=O)NCc2ccc(-c3ccccc3)s2)CCNC1	ZINC000602529592	399468488	/nfs/dbraw/zinc/46/84/88/399468488.db2.gz	BXXVSOBLEDQJQN-KRWDZBQOSA-N	0	3	311.410	2.535	20	30		DFEDHN
Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1	ZINC000611389331	399469737	/nfs/dbraw/zinc/46/97/37/399469737.db2.gz	SMGUPVNLXNLADM-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1	ZINC000065533825	184361934	/nfs/dbraw/zinc/36/19/34/184361934.db2.gz	KWAIJWHIRFLZIC-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NC[C@H]1OCCc2ccccc21	ZINC000602547053	399472814	/nfs/dbraw/zinc/47/28/14/399472814.db2.gz	PCUQBLXQMZGQEW-CRAIPNDOSA-N	0	3	314.429	2.989	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c[nH]1	ZINC000611472021	399479325	/nfs/dbraw/zinc/47/93/25/399479325.db2.gz	DOKDRPXPTKXJCC-GOSISDBHSA-N	0	3	322.412	2.843	20	30		DFEDHN
CCc1nnc2n1C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000611470783	399479350	/nfs/dbraw/zinc/47/93/50/399479350.db2.gz	RDSFSJAZVYQEFQ-BXUZGUMPSA-N	0	3	313.380	2.517	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(C(F)(F)F)CCCC1	ZINC000602571968	399479579	/nfs/dbraw/zinc/47/95/79/399479579.db2.gz	IABATGAWSQGGPL-LLVKDONJSA-N	0	3	305.344	2.637	20	30		DFEDHN
CC[C@@H](CS(=O)(=O)c1ccccc1)NC[C@@H](C)CCC#N	ZINC000602579604	399481668	/nfs/dbraw/zinc/48/16/68/399481668.db2.gz	BNSMXJJGGRZRJQ-GJZGRUSLSA-N	0	3	308.447	2.768	20	30		DFEDHN
CC[C@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1	ZINC000602583884	399482913	/nfs/dbraw/zinc/48/29/13/399482913.db2.gz	VCPFTOINCGYJTQ-WBVHZDCISA-N	0	3	305.397	2.978	20	30		DFEDHN
CC[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC(C#N)CC1	ZINC000602583145	399483160	/nfs/dbraw/zinc/48/31/60/399483160.db2.gz	QQJOFFIQSKAFOQ-PCKAHOCUSA-N	0	3	320.458	2.911	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1N(C)C	ZINC000602591336	399485993	/nfs/dbraw/zinc/48/59/93/399485993.db2.gz	ACKTUYQKTRAQTK-HNNXBMFYSA-N	0	3	301.434	2.941	20	30		DFEDHN
Cc1cccc(C[C@@]2(C)CCCN2C(=O)[C@H](N)CCCC#N)c1	ZINC000602600743	399487054	/nfs/dbraw/zinc/48/70/54/399487054.db2.gz	JADAZMRVKNNSCD-IEBWSBKVSA-N	0	3	313.445	2.940	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CCCN(c3ccccc3)C2)n1	ZINC000602639316	399499221	/nfs/dbraw/zinc/49/92/21/399499221.db2.gz	JMYCMDINUHVSFJ-INIZCTEOSA-N	0	3	306.413	2.959	20	30		DFEDHN
CC[C@@H](C)[C@H](CN1CCC(C#N)(c2ccccn2)CC1)OC	ZINC000602651622	399502872	/nfs/dbraw/zinc/50/28/72/399502872.db2.gz	KBIJRAZHCQFXLG-CVEARBPZSA-N	0	3	301.434	3.000	20	30		DFEDHN
C=CCOc1ccc(CNCc2cc(C)c(C(=O)OC)[nH]2)cc1	ZINC000602651787	399503319	/nfs/dbraw/zinc/50/33/19/399503319.db2.gz	VWIHCRGSKZQOBW-UHFFFAOYSA-N	0	3	314.385	2.964	20	30		DFEDHN
Cn1ncc(C(=O)OC(C)(C)C)c1CNCC(C)(C)CCC#N	ZINC000602661838	399507008	/nfs/dbraw/zinc/50/70/08/399507008.db2.gz	JGGIUVFISNGMOX-UHFFFAOYSA-N	0	3	320.437	2.795	20	30		DFEDHN
C[C@H]1[C@H](NCc2cccc(C#N)n2)CCN1Cc1ccccc1	ZINC000602663947	399508922	/nfs/dbraw/zinc/50/89/22/399508922.db2.gz	LJNSMYAEKXWXPK-HNAYVOBHSA-N	0	3	306.413	2.706	20	30		DFEDHN
N#Cc1cccc(CNCCc2cc(C(F)(F)F)ccn2)n1	ZINC000602676605	399515907	/nfs/dbraw/zinc/51/59/07/399515907.db2.gz	UFBZHZDKRNXSKS-UHFFFAOYSA-N	0	3	306.291	2.699	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1	ZINC000119900430	195058018	/nfs/dbraw/zinc/05/80/18/195058018.db2.gz	MJLKEDJJQVGDON-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)c(F)c1	ZINC000602680519	399518120	/nfs/dbraw/zinc/51/81/20/399518120.db2.gz	CROGYSDIFGPVSW-CYBMUJFWSA-N	0	3	301.365	2.886	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nccc3ccsc32)CC1	ZINC000625322396	399520263	/nfs/dbraw/zinc/52/02/63/399520263.db2.gz	GAERQPLCBAYXSO-UHFFFAOYSA-N	0	3	301.415	2.677	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H](CN)c1ccc2ccccc2c1	ZINC000193413203	335048256	/nfs/dbraw/zinc/04/82/56/335048256.db2.gz	YUJBVUKTDXLEOG-RDTXWAMCSA-N	0	3	312.413	2.937	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)Cc1ncc(C(F)(F)F)cc1Cl	ZINC000624015921	399524477	/nfs/dbraw/zinc/52/44/77/399524477.db2.gz	IXIJMCCFRUNHGO-PSASIEDQSA-N	0	3	308.731	2.821	20	30		DFEDHN
N#Cc1sccc1N1CCN(CC2CCSCC2)CC1	ZINC000602706180	399530418	/nfs/dbraw/zinc/53/04/18/399530418.db2.gz	ISKQIRDWFOCUKI-UHFFFAOYSA-N	0	3	307.488	2.885	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1Cc2ccccc2CO1	ZINC000602721865	399539671	/nfs/dbraw/zinc/53/96/71/399539671.db2.gz	XQEVKJJAOXYKBO-YJBOKZPZSA-N	0	3	314.429	2.816	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@@H](C)c1cnccc1C	ZINC000611940106	399546766	/nfs/dbraw/zinc/54/67/66/399546766.db2.gz	SEOLEKQNPBKXAA-AWEZNQCLSA-N	0	3	311.385	3.000	20	30		DFEDHN
CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1	ZINC000602737058	399549449	/nfs/dbraw/zinc/54/94/49/399549449.db2.gz	SLFXOYSPCRRUMJ-SFHVURJKSA-N	0	3	311.429	2.732	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)NCc3ccccc3)CC2)CC1	ZINC000602765276	399560762	/nfs/dbraw/zinc/56/07/62/399560762.db2.gz	GPPWDQCNRXBYBT-UHFFFAOYSA-N	0	3	311.429	2.709	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H]1c1ccc(F)cc1	ZINC000272896793	210284895	/nfs/dbraw/zinc/28/48/95/210284895.db2.gz	UJOHZVFJFPCLNG-CVEARBPZSA-N	0	3	311.422	2.652	20	30		DFEDHN
Cn1cccc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000271196543	208710446	/nfs/dbraw/zinc/71/04/46/208710446.db2.gz	UXJOVJGQNKLPTM-UHFFFAOYSA-N	0	3	322.412	2.747	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC(C)(C)O	ZINC000158165563	197249680	/nfs/dbraw/zinc/24/96/80/197249680.db2.gz	BFHXQHMAGIXSOY-CQSZACIVSA-N	0	3	324.490	2.744	20	30		DFEDHN
C=C(CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccccc1	ZINC000287945666	335050604	/nfs/dbraw/zinc/05/06/04/335050604.db2.gz	GHSCBNGVGPDPPI-ZWKOTPCHSA-N	0	3	313.445	2.826	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CCc1nccs1	ZINC000157995507	197234223	/nfs/dbraw/zinc/23/42/23/197234223.db2.gz	WAYLQPKPYNHIDU-UHFFFAOYSA-N	0	3	317.414	2.577	20	30		DFEDHN
Cc1nc(C)n([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	ZINC000612072227	399572922	/nfs/dbraw/zinc/57/29/22/399572922.db2.gz	JTZXVOUSODBVPN-SFHVURJKSA-N	0	3	309.417	2.798	20	30		DFEDHN
CC(C)C(=O)NCCN(C)Cc1ccccc1C(C)(C)C#N	ZINC000157490820	197190650	/nfs/dbraw/zinc/19/06/50/197190650.db2.gz	BIFWXSQRKWXEQK-UHFFFAOYSA-N	0	3	301.434	2.692	20	30		DFEDHN
COC(=O)C[C@](C)(NCC1(CC#N)CC1)c1cccc(OC)c1	ZINC000602818651	399587222	/nfs/dbraw/zinc/58/72/22/399587222.db2.gz	WCWHCTMQDJLLIP-KRWDZBQOSA-N	0	3	316.401	2.757	20	30		DFEDHN
C#CCOc1ccc([C@H](C)NCCC(=O)N[C@@H](C)CC)cc1	ZINC000156524164	197120329	/nfs/dbraw/zinc/12/03/29/197120329.db2.gz	DCQPFVMEEGBDST-GJZGRUSLSA-N	0	3	302.418	2.654	20	30		DFEDHN
C[C@H]1CN(CCCOCCc2ccccc2)C[C@H](C)N1CC#N	ZINC000602854540	399602959	/nfs/dbraw/zinc/60/29/59/399602959.db2.gz	CNRNAQNNCHWKDJ-ROUUACIJSA-N	0	3	315.461	2.554	20	30		DFEDHN
C#CCCCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1	ZINC000155088407	197021194	/nfs/dbraw/zinc/02/11/94/197021194.db2.gz	PUXXZQGENSCTJS-UHFFFAOYSA-N	0	3	315.461	2.872	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000288133335	335053449	/nfs/dbraw/zinc/05/34/49/335053449.db2.gz	IRQDLBYSHUEOOJ-AEFFLSMTSA-N	0	3	316.445	2.748	20	30		DFEDHN
N#Cc1cc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)ccn1	ZINC000602884003	399614573	/nfs/dbraw/zinc/61/45/73/399614573.db2.gz	AONHBDLOPGWTCG-MRXNPFEDSA-N	0	3	315.380	2.886	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1	ZINC000625701070	399616943	/nfs/dbraw/zinc/61/69/43/399616943.db2.gz	MTBOWDKGCIEOOR-HNNXBMFYSA-N	0	3	306.837	2.897	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1	ZINC000625701072	399617712	/nfs/dbraw/zinc/61/77/12/399617712.db2.gz	MTBOWDKGCIEOOR-OAHLLOKOSA-N	0	3	306.837	2.897	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1	ZINC000625702537	399617526	/nfs/dbraw/zinc/61/75/26/399617526.db2.gz	GWLALXWAOKZDAJ-CQSZACIVSA-N	0	3	324.371	2.802	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCCCOc2ccccc2F)C1	ZINC000625702337	399617560	/nfs/dbraw/zinc/61/75/60/399617560.db2.gz	XMWHMSBKXFQYDU-OAHLLOKOSA-N	0	3	320.408	2.609	20	30		DFEDHN
C[C@@H](NCCn1cc(Br)cn1)c1ccc(C#N)cc1	ZINC000271611634	209058485	/nfs/dbraw/zinc/05/84/85/209058485.db2.gz	BBIPIZHZHIIVFH-LLVKDONJSA-N	0	3	319.206	2.868	20	30		DFEDHN
N#Cc1ccc(C2CCN(CCO[C@@H]3CCCCO3)CC2)nc1	ZINC000602906373	399621843	/nfs/dbraw/zinc/62/18/43/399621843.db2.gz	GSUZVADMBCLVSZ-GOSISDBHSA-N	0	3	315.417	2.676	20	30		DFEDHN
N#CCSCCCN[C@H](c1ccncc1)C1(CO)CCC1	ZINC000602903344	399621340	/nfs/dbraw/zinc/62/13/40/399621340.db2.gz	QWKWBHXDWHVJKZ-OAHLLOKOSA-N	0	3	305.447	2.522	20	30		DFEDHN
Cc1csc(CN(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000289720112	221178187	/nfs/dbraw/zinc/17/81/87/221178187.db2.gz	HDCOGWKIVSMWQU-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1	ZINC000288534579	335056137	/nfs/dbraw/zinc/05/61/37/335056137.db2.gz	UGDYZMVSDKDFKU-UHFFFAOYSA-N	0	3	319.449	2.733	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1	ZINC000612355756	399630716	/nfs/dbraw/zinc/63/07/16/399630716.db2.gz	XWFUDJWIWKBCDR-AEFFLSMTSA-N	0	3	314.433	2.625	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C	ZINC000620910955	399630804	/nfs/dbraw/zinc/63/08/04/399630804.db2.gz	ZQSQBLDITJRDQI-QGZVFWFLSA-N	0	3	320.477	2.857	20	30		DFEDHN
C#Cc1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1	ZINC000289354915	335058277	/nfs/dbraw/zinc/05/82/77/335058277.db2.gz	XYGQECJEESXMSG-NRFANRHFSA-N	0	3	320.436	2.831	20	30		DFEDHN
C#Cc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000289033788	335059529	/nfs/dbraw/zinc/05/95/29/335059529.db2.gz	ABLQMEGTNHVSLV-UHFFFAOYSA-N	0	3	311.381	2.984	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC(Cc2nccs2)CC1	ZINC000602956425	399639778	/nfs/dbraw/zinc/63/97/78/399639778.db2.gz	PSWIHCCHWRFNOG-AWEZNQCLSA-N	0	3	307.463	2.698	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@H](C2CCC2)CC1)C1CC1	ZINC000603000293	399656084	/nfs/dbraw/zinc/65/60/84/399656084.db2.gz	ZJQIFKJLULGWJK-MAUKXSAKSA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603072470	399672393	/nfs/dbraw/zinc/67/23/93/399672393.db2.gz	IBEBMODPWIBGJY-GFCCVEGCSA-N	0	3	318.396	2.891	20	30		DFEDHN
CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[C@@H]1C#N	ZINC000602981446	399648211	/nfs/dbraw/zinc/64/82/11/399648211.db2.gz	DINQMHJCMDYYDG-JQHSSLGASA-N	0	3	311.429	2.773	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2F)CCNC3)C1	ZINC000625896970	399678735	/nfs/dbraw/zinc/67/87/35/399678735.db2.gz	JWLVZXDOUVZADQ-LBPRGKRZSA-N	0	3	303.381	2.901	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(F)cc(C#N)c2)CC1	ZINC000603078219	399675205	/nfs/dbraw/zinc/67/52/05/399675205.db2.gz	LEDCVUSQQKFCRD-UHFFFAOYSA-N	0	3	316.380	2.859	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603080594	399676152	/nfs/dbraw/zinc/67/61/52/399676152.db2.gz	JNVDRFBNGVLSPY-LBPRGKRZSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)n1cc(CCN2CCCCC2)nn1	ZINC000603229066	399717040	/nfs/dbraw/zinc/71/70/40/399717040.db2.gz	VPDUYDIMKPBPAA-OAHLLOKOSA-N	0	3	309.417	2.787	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(OCCCO)CC1	ZINC000093694474	542555119	/nfs/dbraw/zinc/55/51/19/542555119.db2.gz	NSZGTHOFQYVCAQ-UHFFFAOYSA-N	0	3	305.418	2.615	20	30		DFEDHN
C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)C(C)C	ZINC000289311966	335061823	/nfs/dbraw/zinc/06/18/23/335061823.db2.gz	DTYARHHWDVULMA-DZGCQCFKSA-N	0	3	318.417	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cnc([C@@H](C)O)s1)C(C)C	ZINC000289251904	335061055	/nfs/dbraw/zinc/06/10/55/335061055.db2.gz	LXKYEKRFVSNNIZ-GDBMZVCRSA-N	0	3	323.506	2.985	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2cc(C#N)c(Br)cn2)CCN1C	ZINC000603297896	399735364	/nfs/dbraw/zinc/73/53/64/399735364.db2.gz	RBKZUFOZZVAIII-MWLCHTKSSA-N	0	3	309.211	2.610	20	30		DFEDHN
C#Cc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1	ZINC000289485377	335063754	/nfs/dbraw/zinc/06/37/54/335063754.db2.gz	BDQPWWMOWZGWDW-HKUYNNGSSA-N	0	3	309.413	2.638	20	30		DFEDHN
C=CCOc1ccc(CNCCN2CCCOCC2)cc1Cl	ZINC000289530923	335064182	/nfs/dbraw/zinc/06/41/82/335064182.db2.gz	WAOHTSTVNDACRC-UHFFFAOYSA-N	0	3	324.852	2.717	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000272532524	130038495	/nfs/dbraw/zinc/03/84/95/130038495.db2.gz	FWULXKBZCHZNQT-GFCCVEGCSA-N	0	3	318.396	2.891	20	30		DFEDHN
CC[C@H](C)N1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603391422	399762178	/nfs/dbraw/zinc/76/21/78/399762178.db2.gz	JIHKDWSZCCLYRV-NSHDSACASA-N	0	3	323.238	2.636	20	30		DFEDHN
C=C(C)[C@@H](NC[C@H](O)CN(C)C1CC1)c1ccc(F)c(F)c1	ZINC000289573386	335064471	/nfs/dbraw/zinc/06/44/71/335064471.db2.gz	QQTLFNLWQQDHJR-WMLDXEAASA-N	0	3	310.388	2.627	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000289857755	335066509	/nfs/dbraw/zinc/06/65/09/335066509.db2.gz	QURXDCJANBAVIY-QWRGUYRKSA-N	0	3	316.323	2.559	20	30		DFEDHN
C=CCn1c(-c2ccccc2)nnc1N1CCCN(CC)CC1	ZINC000289877518	335066521	/nfs/dbraw/zinc/06/65/21/335066521.db2.gz	ZKXGHBJBDXIJTE-UHFFFAOYSA-N	0	3	311.433	2.663	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)CNC(=O)c2ccccc2C)C1	ZINC000328874602	543097991	/nfs/dbraw/zinc/09/79/91/543097991.db2.gz	FQBJXMVSOKRZPX-AWEZNQCLSA-N	0	3	303.406	2.740	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000329219697	543101244	/nfs/dbraw/zinc/10/12/44/543101244.db2.gz	ACXKPLOAMNSMQF-CHWSQXEVSA-N	0	3	323.462	2.697	20	30		DFEDHN
C=C1CC(C)(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1	ZINC000633156592	399859624	/nfs/dbraw/zinc/85/96/24/399859624.db2.gz	DLLDNCTYGAXMMN-INIZCTEOSA-N	0	3	300.402	2.548	20	30		DFEDHN
C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000052160049	425884316	/nfs/dbraw/zinc/88/43/16/425884316.db2.gz	IUASXBRETLKARS-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
CSc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369388444	543289717	/nfs/dbraw/zinc/28/97/17/543289717.db2.gz	GSWFWTMJIRJDRC-UHFFFAOYSA-N	0	3	313.430	2.709	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cc(OC)c(Br)cc1F	ZINC000631113070	399982950	/nfs/dbraw/zinc/98/29/50/399982950.db2.gz	ZDXRWUJKABAWLL-JTQLQIEISA-N	0	3	318.186	2.623	20	30		DFEDHN
N#CC(C(=O)c1ccc(C2CCOCC2)cc1)c1ccncn1	ZINC000633966835	399967440	/nfs/dbraw/zinc/96/74/40/399967440.db2.gz	DDTMSUWGELSJTF-MRXNPFEDSA-N	0	3	307.353	2.861	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)C(C)C	ZINC000631274406	400016000	/nfs/dbraw/zinc/01/60/00/400016000.db2.gz	KYALEJZCTGBVMU-SCTDSRPQSA-N	0	3	320.477	2.760	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)c1ccccc1OCCN(C)C	ZINC000628316998	400019431	/nfs/dbraw/zinc/01/94/31/400019431.db2.gz	SAZNAKJZRVMLQM-UHFFFAOYSA-N	0	3	304.434	2.959	20	30		DFEDHN
CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1	ZINC000246585010	146144337	/nfs/dbraw/zinc/14/43/37/146144337.db2.gz	YKLMYCNGHPYWFD-XHDPSFHLSA-N	0	3	304.369	2.548	20	30		DFEDHN
C[C@@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000246679541	146149544	/nfs/dbraw/zinc/14/95/44/146149544.db2.gz	JVPABKCAVSSKJM-DNVCBOLYSA-N	0	3	322.408	2.745	20	30		DFEDHN
CCN(CCN1CCO[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000249038268	146184480	/nfs/dbraw/zinc/18/44/80/146184480.db2.gz	MPPPWVFXKYAMIY-HOTGVXAUSA-N	0	3	301.434	2.662	20	30		DFEDHN
Cn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1C#N	ZINC000253350989	146226005	/nfs/dbraw/zinc/22/60/05/146226005.db2.gz	OARDILOMYLKKHO-PKOBYXMFSA-N	0	3	309.413	2.985	20	30		DFEDHN
CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000354763791	147141469	/nfs/dbraw/zinc/14/14/69/147141469.db2.gz	PMXJRHXHSKKCCO-KRWDZBQOSA-N	0	3	322.412	2.623	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)c1ccc(CN(C)C)cc1	ZINC000355633586	147391176	/nfs/dbraw/zinc/39/11/76/147391176.db2.gz	ZNJATMSUNFADFE-UHFFFAOYSA-N	0	3	308.385	2.914	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000576697242	543453697	/nfs/dbraw/zinc/45/36/97/543453697.db2.gz	VYKNOZMGTLBCEX-IIDMSEBBSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1c([C@@H]2CCCN2CCOc2ccc(C#N)cc2)cnn1C	ZINC000361083419	149025564	/nfs/dbraw/zinc/02/55/64/149025564.db2.gz	HAYQIRHMFHYTPB-SFHVURJKSA-N	0	3	310.401	2.816	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1	ZINC000361253396	149066462	/nfs/dbraw/zinc/06/64/62/149066462.db2.gz	VGUBNXPLDDBODJ-OAHLLOKOSA-N	0	3	309.344	2.592	20	30		DFEDHN
C[C@H](N[C@H]1COC[C@@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000361349698	149093342	/nfs/dbraw/zinc/09/33/42/149093342.db2.gz	XGENSSFNPLOHIC-AGRHKRQWSA-N	0	3	308.381	2.636	20	30		DFEDHN
C[C@](CO)(CNCc1ccc(C#N)s1)Cc1ccccc1	ZINC000361734395	149204680	/nfs/dbraw/zinc/20/46/80/149204680.db2.gz	PJTVPPGJXBSMTJ-QGZVFWFLSA-N	0	3	300.427	2.951	20	30		DFEDHN
C[C@H](C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1cccc(C#N)c1	ZINC000361933423	149259053	/nfs/dbraw/zinc/25/90/53/149259053.db2.gz	ZYLIIMQBVASZRM-QGTPRVQTSA-N	0	3	311.429	2.604	20	30		DFEDHN
C[C@H](C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)c1cccc(C#N)c1	ZINC000361933421	149259063	/nfs/dbraw/zinc/25/90/63/149259063.db2.gz	ZYLIIMQBVASZRM-BMGDILEWSA-N	0	3	311.429	2.604	20	30		DFEDHN
Cc1ccncc1CN1CCCN(c2ccc(C#N)cc2)CC1	ZINC000361938135	149261663	/nfs/dbraw/zinc/26/16/63/149261663.db2.gz	JQIOYMQGXFTXGB-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CCNc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1	ZINC000362901942	149391967	/nfs/dbraw/zinc/39/19/67/149391967.db2.gz	UGNYXIPEOLDOEU-UHFFFAOYSA-N	0	3	300.406	2.660	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)ccc1C#N	ZINC000362915532	149395578	/nfs/dbraw/zinc/39/55/78/149395578.db2.gz	BFIOMTRMUVQIDR-SFHVURJKSA-N	0	3	311.429	2.605	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1	ZINC000367151835	149553871	/nfs/dbraw/zinc/55/38/71/149553871.db2.gz	RHFIMZZEMLPDLV-CYBMUJFWSA-N	0	3	303.793	2.522	20	30		DFEDHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)n1	ZINC000371311710	150020373	/nfs/dbraw/zinc/02/03/73/150020373.db2.gz	YUDKCWCQPIWFEI-KBRIMQKVSA-N	0	3	314.433	2.563	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCCC4(CCOCC4)C3)n2c1	ZINC000371325437	150023847	/nfs/dbraw/zinc/02/38/47/150023847.db2.gz	DNYSSVHJIJUDHB-UHFFFAOYSA-N	0	3	310.401	2.599	20	30		DFEDHN
Cc1ccc(C#N)c(NC[C@H]2CCCN(Cc3cccnc3)C2)n1	ZINC000371385450	150035951	/nfs/dbraw/zinc/03/59/51/150035951.db2.gz	RILMHLJBHVUFES-QGZVFWFLSA-N	0	3	321.428	2.981	20	30		DFEDHN
Cc1nc(C2CCN(CCOc3ccc(C#N)cc3)CC2)no1	ZINC000371487438	150055228	/nfs/dbraw/zinc/05/52/28/150055228.db2.gz	FHBHARSOVYMEFM-UHFFFAOYSA-N	0	3	312.373	2.508	20	30		DFEDHN
CN(C)CCSCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000371618889	150073242	/nfs/dbraw/zinc/07/32/42/150073242.db2.gz	MHHPKSUBELRMNE-UHFFFAOYSA-N	0	3	300.431	2.754	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)C2CCC2)CC1	ZINC000371730312	150087577	/nfs/dbraw/zinc/08/75/77/150087577.db2.gz	RBAIZUZJIGCPMQ-CQSZACIVSA-N	0	3	311.429	3.000	20	30		DFEDHN
COc1ccccc1N1CCC[C@H](NCc2ccc(C#N)o2)C1	ZINC000371794854	150096327	/nfs/dbraw/zinc/09/63/27/150096327.db2.gz	CZJDHYATDNNOHP-AWEZNQCLSA-N	0	3	311.385	2.918	20	30		DFEDHN
Cc1cc([C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n[nH]1	ZINC000372002979	150123210	/nfs/dbraw/zinc/12/32/10/150123210.db2.gz	CEEMZMZHTPXJKU-SJLPKXTDSA-N	0	3	310.401	2.503	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@@H](O)c2ccccc2C1	ZINC000373120688	150234822	/nfs/dbraw/zinc/23/48/22/150234822.db2.gz	ABFPGBWDFWGYQH-GOSISDBHSA-N	0	3	308.381	2.876	20	30		DFEDHN
CC[C@H]1C[C@H](CN2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000356933069	158325276	/nfs/dbraw/zinc/32/52/76/158325276.db2.gz	XTCKVXIWZVJAJB-AEFFLSMTSA-N	0	3	313.445	2.885	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)c2cnccc2C#N)N(C)C)cc1	ZINC000358404478	158378493	/nfs/dbraw/zinc/37/84/93/158378493.db2.gz	XFLVHJAWQALGHA-GOSISDBHSA-N	0	3	322.412	2.548	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000290245535	335070589	/nfs/dbraw/zinc/07/05/89/335070589.db2.gz	CGLJDCQKLOBUJA-IBGZPJMESA-N	0	3	310.441	2.687	20	30		DFEDHN
C[C@@H]1CN(CCC2CCN(CC3(C#N)CC3)CC2)C[C@H](C)O1	ZINC000343315773	335070925	/nfs/dbraw/zinc/07/09/25/335070925.db2.gz	RBHKYZMGDVIZSH-IYBDPMFKSA-N	0	3	305.466	2.501	20	30		DFEDHN
C=C(Cl)COc1ccc([C@@H](C)N[C@H]2COC[C@@H]2OC)cc1	ZINC000290290064	335070944	/nfs/dbraw/zinc/07/09/44/335070944.db2.gz	XXJYDOFTQGZFKY-KCXAZCMYSA-N	0	3	311.809	2.882	20	30		DFEDHN
C[C@@H]1CN(CCC2CCN(CC3(C#N)CC3)CC2)C[C@@H](C)O1	ZINC000343315771	335070935	/nfs/dbraw/zinc/07/09/35/335070935.db2.gz	RBHKYZMGDVIZSH-HZPDHXFCSA-N	0	3	305.466	2.501	20	30		DFEDHN
N#Cc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)s1	ZINC000131582915	196181645	/nfs/dbraw/zinc/18/16/45/196181645.db2.gz	VVYXBWXATADLSQ-VBQJREDUSA-N	0	3	301.459	2.926	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3ccsc3C2)CC1	ZINC000134175601	196367634	/nfs/dbraw/zinc/36/76/34/196367634.db2.gz	OMDAMXAWQXGPFP-UHFFFAOYSA-N	0	3	319.474	2.856	20	30		DFEDHN
C=CCN(CCOC)C[C@@H]1CCCO[C@H]1c1cnn(CC)c1	ZINC000668054792	543731011	/nfs/dbraw/zinc/73/10/11/543731011.db2.gz	GTVHRQIHGIPXRT-DOTOQJQBSA-N	0	3	307.438	2.505	20	30		DFEDHN
C=CC[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1	ZINC000668492417	543814673	/nfs/dbraw/zinc/81/46/73/543814673.db2.gz	ABYYHWVAXTUPJK-CQSZACIVSA-N	0	3	307.463	2.768	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)CCOC3)CC1	ZINC000668370548	543798567	/nfs/dbraw/zinc/79/85/67/543798567.db2.gz	ZRUIJBKIKZUUMK-UHFFFAOYSA-N	0	3	314.429	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(F)c3ccncc23)CC1	ZINC000668370353	543798906	/nfs/dbraw/zinc/79/89/06/543798906.db2.gz	VMQDSRSMKSXEJK-UHFFFAOYSA-N	0	3	313.376	2.754	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000668732437	543855961	/nfs/dbraw/zinc/85/59/61/543855961.db2.gz	UFDHISMKSGFGBE-QGZVFWFLSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(N2CCc3cc(F)ccc32)CC1	ZINC000669936799	544009693	/nfs/dbraw/zinc/00/96/93/544009693.db2.gz	ASWPCTIVRDTFDA-SFHVURJKSA-N	0	3	304.409	2.590	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N(CC(C)C)C1CCN(C)CC1	ZINC000290752740	335075012	/nfs/dbraw/zinc/07/50/12/335075012.db2.gz	PCKFQDYMUSXRFP-UHFFFAOYSA-N	0	3	312.457	2.789	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)OCC	ZINC000290611829	335076488	/nfs/dbraw/zinc/07/64/88/335076488.db2.gz	RUEMPMKLQTTYCF-DLBZAZTESA-N	0	3	322.424	2.916	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000672464041	544138145	/nfs/dbraw/zinc/13/81/45/544138145.db2.gz	FONPBZSRGJVVED-DJIMGWMZSA-N	0	3	301.434	2.943	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc(Br)cc1C#N	ZINC000297347010	227042466	/nfs/dbraw/zinc/04/24/66/227042466.db2.gz	BEEVCRFOJUDAPE-ZANVPECISA-N	0	3	321.222	2.610	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc(Br)cc1C#N	ZINC000297347005	227042767	/nfs/dbraw/zinc/04/27/67/227042767.db2.gz	BEEVCRFOJUDAPE-TVQRCGJNSA-N	0	3	321.222	2.610	20	30		DFEDHN
COc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1C#N	ZINC000291018898	222075702	/nfs/dbraw/zinc/07/57/02/222075702.db2.gz	ABBULRDYWSLEFA-FQEVSTJZSA-N	0	3	322.408	2.703	20	30		DFEDHN
C=C(C)[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(F)c(F)c1	ZINC000184669955	335082701	/nfs/dbraw/zinc/08/27/01/335082701.db2.gz	ASZIIWYAUNYNHU-BBRMVZONSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CN(CC)C[C@@H]1C	ZINC000674886068	544274439	/nfs/dbraw/zinc/27/44/39/544274439.db2.gz	JEAQZKFYXPFBCC-RDJZCZTQSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@](C)(CO)c1cccc(C(F)(F)F)c1	ZINC000675496578	544316277	/nfs/dbraw/zinc/31/62/77/544316277.db2.gz	FLDNCUXBSHYXTB-GJZGRUSLSA-N	0	3	317.351	2.830	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C(C)C)C1)C(C)C	ZINC000677087148	544431597	/nfs/dbraw/zinc/43/15/97/544431597.db2.gz	VFLIFUVKYNDSGR-KRWDZBQOSA-N	0	3	307.482	2.982	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)NCCN1CCCCCC1	ZINC000299438808	229118301	/nfs/dbraw/zinc/11/83/01/229118301.db2.gz	GPUCIWSTDUZLMB-UHFFFAOYSA-N	0	3	316.405	2.564	20	30		DFEDHN
CCc1nc2ccccc2n1C1CCN(CC#CCOC)CC1	ZINC000678535476	544689130	/nfs/dbraw/zinc/68/91/30/544689130.db2.gz	HVSKYGOIKRIATO-UHFFFAOYSA-N	0	3	311.429	2.885	20	30		DFEDHN
C=C(CC)CN1CC[C@H](N(Cc2noc(C(C)C)n2)C(C)=O)C1	ZINC000678624447	544704142	/nfs/dbraw/zinc/70/41/42/544704142.db2.gz	BRTKAKXSIWNHMM-HNNXBMFYSA-N	0	3	320.437	2.582	20	30		DFEDHN
COCC#CCN[C@@H](C)c1ccc(OCc2cccnc2)cc1	ZINC000678743435	544713880	/nfs/dbraw/zinc/71/38/80/544713880.db2.gz	UWNLYRXLBGJUGU-INIZCTEOSA-N	0	3	310.397	2.961	20	30		DFEDHN
COCC#CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	ZINC000678774967	544719847	/nfs/dbraw/zinc/71/98/47/544719847.db2.gz	VLOLKVOJTYIEGJ-HNNXBMFYSA-N	0	3	323.396	2.634	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1	ZINC000679174960	544795914	/nfs/dbraw/zinc/79/59/14/544795914.db2.gz	KZYSQARGUACNLM-HZPDHXFCSA-N	0	3	318.465	2.969	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1	ZINC000679174952	544796015	/nfs/dbraw/zinc/79/60/15/544796015.db2.gz	KZYSQARGUACNLM-CVEARBPZSA-N	0	3	318.465	2.969	20	30		DFEDHN
C=CCOCCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000679576808	544879911	/nfs/dbraw/zinc/87/99/11/544879911.db2.gz	VDKLSMIKORLIQI-ZDUSSCGKSA-N	0	3	303.406	2.824	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(CC)C1	ZINC000062499425	425900028	/nfs/dbraw/zinc/90/00/28/425900028.db2.gz	UXKVONGGRRHDBF-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
N#Cc1cccc(CNCCCS(=O)(=O)c2ccccc2)c1	ZINC000066877735	425907593	/nfs/dbraw/zinc/90/75/93/425907593.db2.gz	CJLMPIDJUKQORL-UHFFFAOYSA-N	0	3	314.410	2.512	20	30		DFEDHN
COc1cc(OC)cc(OCCNCc2ccc(C#N)s2)c1	ZINC000124501829	425922865	/nfs/dbraw/zinc/92/28/65/425922865.db2.gz	UANYHFMPJWFIPS-UHFFFAOYSA-N	0	3	318.398	2.806	20	30		DFEDHN
Cc1noc(C)c1C[C@@H](C)NCc1cnc2ccc(C#N)cn12	ZINC000342768785	269929030	/nfs/dbraw/zinc/92/90/30/269929030.db2.gz	NJSZZLSFWBAOEC-LLVKDONJSA-N	0	3	309.373	2.532	20	30		DFEDHN
CC#CCCN(C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000155726785	425925510	/nfs/dbraw/zinc/92/55/10/425925510.db2.gz	HTONSXHZDXXAAC-ZDUSSCGKSA-N	0	3	315.335	2.790	20	30		DFEDHN
CCCN(CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1O	ZINC000068973629	425926120	/nfs/dbraw/zinc/92/61/20/425926120.db2.gz	CFWCNAJGBNPBPW-HNNXBMFYSA-N	0	3	317.433	2.612	20	30		DFEDHN
C#CCCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000155874256	425928532	/nfs/dbraw/zinc/92/85/32/425928532.db2.gz	PMHFZIDAFRKCHS-KRWDZBQOSA-N	0	3	316.420	2.957	20	30		DFEDHN
N#Cc1c(Br)cccc1N1C[C@H]2CCC[C@@H](C1)N2	ZINC000420238645	270000649	/nfs/dbraw/zinc/00/06/49/270000649.db2.gz	NXWGVPDMOYJNSI-PHIMTYICSA-N	0	3	306.207	2.651	20	30		DFEDHN
CCC[C@@H]1CNCCN1c1ccc(C#N)cc1Br	ZINC000420235661	270000532	/nfs/dbraw/zinc/00/05/32/270000532.db2.gz	OVHMZOTUBVNJNB-GFCCVEGCSA-N	0	3	308.223	2.899	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN[C@@H]3CC[C@H]3O)c2)c1	ZINC000424207773	270000716	/nfs/dbraw/zinc/00/07/16/270000716.db2.gz	YLZGGESBUNMWHD-RTBURBONSA-N	0	3	308.381	2.750	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2ccccc2F)ccc1C#N	ZINC000488080749	270002204	/nfs/dbraw/zinc/00/22/04/270002204.db2.gz	MHLYRDRMSGDKPT-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2cccc(F)c2)ccc1C#N	ZINC000488130000	270002332	/nfs/dbraw/zinc/00/23/32/270002332.db2.gz	RSFCZOPLTKFDNT-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
CC#CCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000156557572	425934365	/nfs/dbraw/zinc/93/43/65/425934365.db2.gz	JYIRNVRVLIWBJL-ZDUSSCGKSA-N	0	3	305.809	2.799	20	30		DFEDHN
CCC[C@]1(COC)CCCN1Cc1cnc2ccc(C#N)cn12	ZINC000342852408	266081960	/nfs/dbraw/zinc/08/19/60/266081960.db2.gz	CLEYNICCHIGDEJ-GOSISDBHSA-N	0	3	312.417	2.987	20	30		DFEDHN
CCN(CCC(=O)Nc1sccc1C#N)Cc1ccncc1	ZINC000348065106	266123556	/nfs/dbraw/zinc/12/35/56/266123556.db2.gz	AURXQQJJGAJNFH-UHFFFAOYSA-N	0	3	314.414	2.865	20	30		DFEDHN
CCN1CCC[C@H](Nc2nc3cc(Cl)ccn3c2C#N)C1	ZINC000341602729	266145933	/nfs/dbraw/zinc/14/59/33/266145933.db2.gz	XQBFMKFTTXTWPG-LBPRGKRZSA-N	0	3	303.797	2.756	20	30		DFEDHN
CCN1C[C@@H](C)N(CCCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000347695599	266156293	/nfs/dbraw/zinc/15/62/93/266156293.db2.gz	VEJZEVJFWVCOCM-IYBDPMFKSA-N	0	3	301.434	2.742	20	30		DFEDHN
CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348468267	266370115	/nfs/dbraw/zinc/37/01/15/266370115.db2.gz	XNBQVVYQISDMFM-QWHCGFSZSA-N	0	3	309.291	2.698	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280428236	266377026	/nfs/dbraw/zinc/37/70/26/266377026.db2.gz	PUZHEYVRIBKLCY-JKSUJKDBSA-N	0	3	313.426	2.595	20	30		DFEDHN
C[C@@H]1CN(CCCNc2nccc(C#N)c2Cl)CCCO1	ZINC000343236662	267050849	/nfs/dbraw/zinc/05/08/49/267050849.db2.gz	RODZGHNBKXJVFT-GFCCVEGCSA-N	0	3	308.813	2.519	20	30		DFEDHN
C[C@@H]1C[C@@H](CN2CCN(c3cccc(F)c3C#N)CC2)CCO1	ZINC000352695301	267077936	/nfs/dbraw/zinc/07/79/36/267077936.db2.gz	YEFLFTVMNJROPW-CABCVRRESA-N	0	3	317.408	2.634	20	30		DFEDHN
C[C@@H]1C[C@H](CN2CCN(c3cccc(F)c3C#N)CC2)CCO1	ZINC000352695303	267087909	/nfs/dbraw/zinc/08/79/09/267087909.db2.gz	YEFLFTVMNJROPW-HUUCEWRRSA-N	0	3	317.408	2.634	20	30		DFEDHN
C[C@@H]1[C@H](C)N(Cc2ccc(Br)cc2C#N)CCN1C	ZINC000347005423	267107452	/nfs/dbraw/zinc/10/74/52/267107452.db2.gz	ABEQUJBARIJXRR-NEPJUHHUSA-N	0	3	322.250	2.845	20	30		DFEDHN
CCOC[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N	ZINC000459704263	267140523	/nfs/dbraw/zinc/14/05/23/267140523.db2.gz	PQEWBTDUJXAJEW-CQSZACIVSA-N	0	3	321.446	2.839	20	30		DFEDHN
CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(C#N)c(C)c1)CC2	ZINC000488413795	267150128	/nfs/dbraw/zinc/15/01/28/267150128.db2.gz	ZWZXXUAZANMPOE-QZTJIDSGSA-N	0	3	314.429	2.619	20	30		DFEDHN
C[C@H](CCc1ccco1)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279684097	267153083	/nfs/dbraw/zinc/15/30/83/267153083.db2.gz	HEJYZTOYEGNHRP-PBHICJAKSA-N	0	3	321.380	2.971	20	30		DFEDHN
CC[C@@H](O)CNCc1cccc(OCc2ccccc2C#N)c1	ZINC000422083333	267197671	/nfs/dbraw/zinc/19/76/71/267197671.db2.gz	HWFNZVCWTCIBJU-GOSISDBHSA-N	0	3	310.397	2.998	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNc2ncc([N+](=O)[O-])cc2C#N)C1	ZINC000341923504	267213386	/nfs/dbraw/zinc/21/33/86/267213386.db2.gz	YLAWDQMQISFWST-LBPRGKRZSA-N	0	3	317.393	2.784	20	30		DFEDHN
CC[C@H]1CCC[C@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000518365328	267227149	/nfs/dbraw/zinc/22/71/49/267227149.db2.gz	HXTGNUZGDBCYDK-HOTGVXAUSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCC1(F)F	ZINC000351998724	267230163	/nfs/dbraw/zinc/23/01/63/267230163.db2.gz	YAKXTXXKLHYJKZ-JTQLQIEISA-N	0	3	313.373	2.925	20	30		DFEDHN
CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000515468710	267231191	/nfs/dbraw/zinc/23/11/91/267231191.db2.gz	RUAMNQLMGHJWHD-AWEZNQCLSA-N	0	3	309.360	2.686	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1nc(C#N)cs1	ZINC000352899167	267233560	/nfs/dbraw/zinc/23/35/60/267233560.db2.gz	QKNBEDIEEWSOSU-BBRMVZONSA-N	0	3	312.442	2.625	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCN1C	ZINC000342337455	267251075	/nfs/dbraw/zinc/25/10/75/267251075.db2.gz	CTNYCZAJJNEFBI-JSGCOSHPSA-N	0	3	317.437	2.719	20	30		DFEDHN
C[C@]1(CNC(=O)c2ccc(C#N)[nH]2)CCCN1Cc1ccccc1	ZINC000153806959	267261203	/nfs/dbraw/zinc/26/12/03/267261203.db2.gz	JJEHMVBXUSFPGI-LJQANCHMSA-N	0	3	322.412	2.671	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)CNc1cccc(C#N)c1	ZINC000438570308	267280256	/nfs/dbraw/zinc/28/02/56/267280256.db2.gz	WTIMCVHKDSEDTD-UHFFFAOYSA-N	0	3	322.412	2.713	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)CNc1ccc(C#N)cc1	ZINC000438570554	267280858	/nfs/dbraw/zinc/28/08/58/267280858.db2.gz	IMLQGCNACMWYDE-UHFFFAOYSA-N	0	3	322.412	2.713	20	30		DFEDHN
CN(C)CCOc1ccccc1CNc1ncc(C#N)cc1F	ZINC000413095522	267281392	/nfs/dbraw/zinc/28/13/92/267281392.db2.gz	SIDMIAYAGMKKDO-UHFFFAOYSA-N	0	3	314.364	2.645	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N2CCc3c2cccc3C#N)c1	ZINC000421969590	267283211	/nfs/dbraw/zinc/28/32/11/267283211.db2.gz	PBWKUHNXDJLIQL-UHFFFAOYSA-N	0	3	305.381	2.823	20	30		DFEDHN
CN(C)Cc1ccccc1CNC(=O)/C=C/c1ccc(C#N)cc1	ZINC000491874835	267284355	/nfs/dbraw/zinc/28/43/55/267284355.db2.gz	WSQHKKSQSRUVPR-VAWYXSNFSA-N	0	3	319.408	2.949	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000433224011	267284425	/nfs/dbraw/zinc/28/44/25/267284425.db2.gz	VXMCBAZELHQSSB-UHFFFAOYSA-N	0	3	307.397	2.892	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccc(F)cc1	ZINC000413065674	267286083	/nfs/dbraw/zinc/28/60/83/267286083.db2.gz	HALONNMZTKKHNN-HNNXBMFYSA-N	0	3	302.328	2.946	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000346239160	267307202	/nfs/dbraw/zinc/30/72/02/267307202.db2.gz	OUIHBINSEBKHOW-DHSIGJKJSA-N	0	3	311.429	2.669	20	30		DFEDHN
CN(C[C@H](O)COc1ccccc1C#N)[C@H]1CCc2ccccc21	ZINC000528348532	267308737	/nfs/dbraw/zinc/30/87/37/267308737.db2.gz	KLKUGVAGABQNEN-HKUYNNGSSA-N	0	3	322.408	2.917	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)c2ccc(C#N)[nH]2)CCC1	ZINC000452713971	267320819	/nfs/dbraw/zinc/32/08/19/267320819.db2.gz	CFQIQRNCFXGPCE-UHFFFAOYSA-N	0	3	322.412	2.671	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000447809424	267333792	/nfs/dbraw/zinc/33/37/92/267333792.db2.gz	YWSLOZIRVVFIJD-OAHLLOKOSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN1CC[C@@H]2CN(c3c(C#N)cnc4c(F)cc(F)cc43)C[C@@H]21	ZINC000450781659	267339242	/nfs/dbraw/zinc/33/92/42/267339242.db2.gz	ULKKMEMXQHEUJU-BMIGLBTASA-N	0	3	314.339	2.525	20	30		DFEDHN
Cc1cc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc(C#N)n1	ZINC000396557335	267339352	/nfs/dbraw/zinc/33/93/52/267339352.db2.gz	IUIWSKWXNGWCFC-INIZCTEOSA-N	0	3	306.413	2.972	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000413623701	267339588	/nfs/dbraw/zinc/33/95/88/267339588.db2.gz	HZKNHOGSUUUFPL-FCGDIQPGSA-N	0	3	323.440	2.604	20	30		DFEDHN
COC1([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)CCOCC1	ZINC000421862158	267431795	/nfs/dbraw/zinc/43/17/95/267431795.db2.gz	IYOXTIOYNLXCPR-QWHCGFSZSA-N	0	3	306.381	2.932	20	30		DFEDHN
COCCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C	ZINC000487982241	267453287	/nfs/dbraw/zinc/45/32/87/267453287.db2.gz	QOWWEFCLRYQDIV-WMLDXEAASA-N	0	3	315.417	2.634	20	30		DFEDHN
CO[C@@H](CC(C)C)CN1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000419194538	267522900	/nfs/dbraw/zinc/52/29/00/267522900.db2.gz	WQTXYIVNMJUGGK-IBGZPJMESA-N	0	3	315.461	2.737	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cccc(C#N)c1)C(C)C	ZINC000046049472	425864025	/nfs/dbraw/zinc/86/40/25/425864025.db2.gz	OSOMXEDSSMZKDB-GOSISDBHSA-N	0	3	311.429	2.987	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1	ZINC000027208040	425814857	/nfs/dbraw/zinc/81/48/57/425814857.db2.gz	YIPCJBPZWLVBQB-IBGZPJMESA-N	0	3	310.397	2.568	20	30		DFEDHN
Cc1ccc(O)c(CNC2(c3ccc(C#N)cc3)CCOCC2)n1	ZINC000527809886	268039501	/nfs/dbraw/zinc/03/95/01/268039501.db2.gz	HENNLFLRLWJWCC-UHFFFAOYSA-N	0	3	323.396	2.763	20	30		DFEDHN
Cc1ccoc1C(=O)NCCCNCc1ccc(C#N)c(F)c1	ZINC000421364694	268066338	/nfs/dbraw/zinc/06/63/38/268066338.db2.gz	PFJCEKKRYYVAQK-UHFFFAOYSA-N	0	3	315.348	2.509	20	30		DFEDHN
Cc1ccsc1[C@@H](CO)NCCOc1ccc(C#N)cc1	ZINC000494638443	268067654	/nfs/dbraw/zinc/06/76/54/268067654.db2.gz	VLSBRUKDICDKPG-OAHLLOKOSA-N	0	3	302.399	2.630	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C	ZINC000193659736	268076084	/nfs/dbraw/zinc/07/60/84/268076084.db2.gz	IQQXEIIEUBTWRN-UHFFFAOYSA-N	0	3	316.449	2.678	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCC(F)(F)C2)cc1	ZINC000280790627	268085824	/nfs/dbraw/zinc/08/58/24/268085824.db2.gz	TVTGQBLKCUYETM-CABCVRRESA-N	0	3	317.339	2.792	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC(F)(F)C2)cc1	ZINC000348335697	268086907	/nfs/dbraw/zinc/08/69/07/268086907.db2.gz	BZKHFLYKKFTBCX-GJZGRUSLSA-N	0	3	317.339	2.935	20	30		DFEDHN
Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000459764308	268105201	/nfs/dbraw/zinc/10/52/01/268105201.db2.gz	CRDBQFJPCYNUIE-QMPIGLIWSA-N	0	3	301.390	2.873	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Cc1ccc(C#N)cc1)c1ccccc1	ZINC000194709670	268112673	/nfs/dbraw/zinc/11/26/73/268112673.db2.gz	CAHPXLINYRJGNX-GOSISDBHSA-N	0	3	307.397	2.520	20	30		DFEDHN
N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C4CC4)C3)C2=O)cc1	ZINC000344001363	268127206	/nfs/dbraw/zinc/12/72/06/268127206.db2.gz	ZASXHBVZIRNZCA-WMZOPIPTSA-N	0	3	309.413	2.786	20	30		DFEDHN
N#Cc1ccc(NC(=O)NCCN2CCCCCC2)cc1F	ZINC000353538410	268146814	/nfs/dbraw/zinc/14/68/14/268146814.db2.gz	HUPMADPCNKKXQX-UHFFFAOYSA-N	0	3	304.369	2.695	20	30		DFEDHN
N#Cc1ccc(OC2CCN(C[C@H]3CCCO3)CC2)c(F)c1	ZINC000285526747	268166447	/nfs/dbraw/zinc/16/64/47/268166447.db2.gz	PNLKNHXHQUJUJU-OAHLLOKOSA-N	0	3	304.365	2.720	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000267422520	268181059	/nfs/dbraw/zinc/18/10/59/268181059.db2.gz	LBJNVICOPGVJKG-YSVLISHTSA-N	0	3	315.417	2.536	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000048216312	425873546	/nfs/dbraw/zinc/87/35/46/425873546.db2.gz	CWIVBECROFXHPO-SFHVURJKSA-N	0	3	322.412	2.660	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCOCC23CCCC3)cc1	ZINC000270647534	268195992	/nfs/dbraw/zinc/19/59/92/268195992.db2.gz	OCNOFDRBYOGDFF-UHFFFAOYSA-N	0	3	313.401	2.532	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NCc1ccc(OCCO)cc1)CC2	ZINC000353271474	268223534	/nfs/dbraw/zinc/22/35/34/268223534.db2.gz	YPXQVKXAXMKTQV-LJQANCHMSA-N	0	3	308.381	2.706	20	30		DFEDHN
N#Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cc1	ZINC000433350088	268230869	/nfs/dbraw/zinc/23/08/69/268230869.db2.gz	AZYDIMKIHQMLCD-SFHVURJKSA-N	0	3	303.365	2.947	20	30		DFEDHN
N#Cc1ccc(CNCCNC(=O)CCCc2ccccc2)cc1	ZINC000424193016	268232217	/nfs/dbraw/zinc/23/22/17/268232217.db2.gz	USDNFHGYLKYVOJ-UHFFFAOYSA-N	0	3	321.424	2.787	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCC23CCCC3)c1	ZINC000451463327	268285714	/nfs/dbraw/zinc/28/57/14/268285714.db2.gz	XGXUOUSAEDCXBS-MRXNPFEDSA-N	0	3	318.442	2.644	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1	ZINC000425208814	268291973	/nfs/dbraw/zinc/29/19/73/268291973.db2.gz	QBWZBNLPFSOKTG-CQSZACIVSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c1	ZINC000349967329	268293452	/nfs/dbraw/zinc/29/34/52/268293452.db2.gz	SSLWCZMARPQJHD-OALUTQOASA-N	0	3	318.424	2.879	20	30		DFEDHN
CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCC1	ZINC000324809950	268350808	/nfs/dbraw/zinc/35/08/08/268350808.db2.gz	SAYVDCVHEQOITQ-QGZVFWFLSA-N	0	3	320.458	2.890	20	30		DFEDHN
CCC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC1	ZINC000324812107	268350975	/nfs/dbraw/zinc/35/09/75/268350975.db2.gz	SRPHGYGWSLZFJV-KRWDZBQOSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccc(OC)cc2)CC1	ZINC000107597039	425995790	/nfs/dbraw/zinc/99/57/90/425995790.db2.gz	RLSQRDBBMYMJHY-OAHLLOKOSA-N	0	3	316.445	2.955	20	30		DFEDHN
CC(C)CC[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000158117431	425941133	/nfs/dbraw/zinc/94/11/33/425941133.db2.gz	LVWMPUXAIUGGRS-QGZVFWFLSA-N	0	3	318.465	2.933	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2cccc(C)c2)CC1	ZINC000106040400	425970890	/nfs/dbraw/zinc/97/08/90/425970890.db2.gz	IFOIAJSKJOWHLZ-INIZCTEOSA-N	0	3	316.445	2.919	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)C[C@@H](C)S1	ZINC000070383179	425971742	/nfs/dbraw/zinc/97/17/42/425971742.db2.gz	ZOSJIKLSJAGBCM-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
CC(C)(C)OC(=O)NCCNC1CC(C#N)(c2ccccc2)C1	ZINC000126510728	426023507	/nfs/dbraw/zinc/02/35/07/426023507.db2.gz	UQMXWAYWWAITSN-UHFFFAOYSA-N	0	3	315.417	2.725	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3cnc(C#N)cn3)CC2)CC1	ZINC000126712854	426033261	/nfs/dbraw/zinc/03/32/61/426033261.db2.gz	RXIWMHPDVOVPGC-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000111510321	426052279	/nfs/dbraw/zinc/05/22/79/426052279.db2.gz	ABQRJFIPRGKSTE-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
CCc1nccn1[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000127477646	426068534	/nfs/dbraw/zinc/06/85/34/426068534.db2.gz	JTEUWIZCVOCLEG-ROUUACIJSA-N	0	3	324.428	2.688	20	30		DFEDHN
CCS[C@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1	ZINC000076068338	426098321	/nfs/dbraw/zinc/09/83/21/426098321.db2.gz	SYHRZOXWXZVUJG-GJZGRUSLSA-N	0	3	323.506	2.935	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000128302390	426110761	/nfs/dbraw/zinc/11/07/61/426110761.db2.gz	NVJCNGXXWRAZNS-INIZCTEOSA-N	0	3	301.434	2.610	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000128345423	426113609	/nfs/dbraw/zinc/11/36/09/426113609.db2.gz	IQHQRWAXIACMEP-RDJZCZTQSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000076735261	426116402	/nfs/dbraw/zinc/11/64/02/426116402.db2.gz	YQFFLXOOCGKXPT-QGZVFWFLSA-N	0	3	315.461	2.622	20	30		DFEDHN
C=CCCCN(C)CC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000076735990	426116766	/nfs/dbraw/zinc/11/67/66/426116766.db2.gz	SGMIBHWFOSISQB-UHFFFAOYSA-N	0	3	311.429	2.951	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccc(F)cc2)C[C@H]1C	ZINC000076810048	426118836	/nfs/dbraw/zinc/11/88/36/426118836.db2.gz	SQUKOISGBLRPKS-IJEWVQPXSA-N	0	3	317.408	2.764	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1	ZINC000128518694	426121045	/nfs/dbraw/zinc/12/10/45/426121045.db2.gz	WXYGBRVJQGRFTL-KRWDZBQOSA-N	0	3	312.417	2.755	20	30		DFEDHN
CN(CCCC#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000114461309	426136013	/nfs/dbraw/zinc/13/60/13/426136013.db2.gz	JIEIFEWRYJVYGL-ZDUSSCGKSA-N	0	3	316.323	2.681	20	30		DFEDHN
C=CCn1c(Cc2ccccc2)nnc1SCCN(C)C	ZINC000075480775	426074268	/nfs/dbraw/zinc/07/42/68/426074268.db2.gz	ZZVTXNWSQYKKLP-UHFFFAOYSA-N	0	3	302.447	2.709	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCC(COC)CC1	ZINC000112412212	426076228	/nfs/dbraw/zinc/07/62/28/426076228.db2.gz	RNNXXFGMMQIFCV-GOSISDBHSA-N	0	3	319.445	2.513	20	30		DFEDHN
C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCOC1	ZINC000162757364	426076529	/nfs/dbraw/zinc/07/65/29/426076529.db2.gz	VLVQRRJWCDFRGI-OCCSQVGLSA-N	0	3	313.319	2.951	20	30		DFEDHN
CN(CC(=O)N(CCC#N)CCC#N)C1CCC(C)(C)CC1	ZINC000127612103	426076900	/nfs/dbraw/zinc/07/69/00/426076900.db2.gz	ZNOOFHYHWUMCAS-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
CNC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000171633341	426200731	/nfs/dbraw/zinc/20/07/31/426200731.db2.gz	ZKAHFDPCTXXGQW-IBGZPJMESA-N	0	3	319.408	2.936	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000079775720	426202631	/nfs/dbraw/zinc/20/26/31/426202631.db2.gz	BYNCJMAWNFHGPK-QGZVFWFLSA-N	0	3	304.434	2.697	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000114644092	426140466	/nfs/dbraw/zinc/14/04/66/426140466.db2.gz	BTGPXFZBIRSCMW-FUHWJXTLSA-N	0	3	316.445	2.748	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1	ZINC000170648491	426142306	/nfs/dbraw/zinc/14/23/06/426142306.db2.gz	LFBDCSQYXOXEDN-MRXNPFEDSA-N	0	3	315.417	2.905	20	30		DFEDHN
CCc1nc(C)c([C@@H](C)N(C)CCC(=O)N(C)CCC#N)s1	ZINC000131686982	426166382	/nfs/dbraw/zinc/16/63/82/426166382.db2.gz	WOPXRURWXWVVNU-CYBMUJFWSA-N	0	3	322.478	2.769	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2OCC2CC2)CC1	ZINC000171716848	426206820	/nfs/dbraw/zinc/20/68/20/426206820.db2.gz	AWVDOAITSOQRLX-UHFFFAOYSA-N	0	3	314.429	2.856	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC(C)(C)c1ccc(Cl)cc1	ZINC000131855064	426167445	/nfs/dbraw/zinc/16/74/45/426167445.db2.gz	QNDGMUUBALTWOP-UHFFFAOYSA-N	0	3	307.825	2.927	20	30		DFEDHN
CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000115596646	426168626	/nfs/dbraw/zinc/16/86/26/426168626.db2.gz	QOOCLLXBOUAYLL-QGZVFWFLSA-N	0	3	307.397	2.652	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1	ZINC000132694169	426171911	/nfs/dbraw/zinc/17/19/11/426171911.db2.gz	MJBDBPRZOLNBSX-DLBZAZTESA-N	0	3	316.832	2.657	20	30		DFEDHN
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCN(C)C	ZINC000078578375	426175662	/nfs/dbraw/zinc/17/56/62/426175662.db2.gz	YYFQOKTXNQFZAQ-ZDUSSCGKSA-N	0	3	320.462	2.964	20	30		DFEDHN
COCCCN(CCOC)Cc1ccccc1C(C)(C)C#N	ZINC000135136414	426206017	/nfs/dbraw/zinc/20/60/17/426206017.db2.gz	KYTFGTRHBCUJGY-UHFFFAOYSA-N	0	3	304.434	2.973	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000133629330	426183211	/nfs/dbraw/zinc/18/32/11/426183211.db2.gz	MUNWXUOCLDZYJP-QZTJIDSGSA-N	0	3	324.428	2.568	20	30		DFEDHN
CC#CCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000136032850	426233561	/nfs/dbraw/zinc/23/35/61/426233561.db2.gz	QXYQRXXMXCQSAT-GOSISDBHSA-N	0	3	313.445	2.563	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(Nc2cccnn2)CC1	ZINC000118397957	426234771	/nfs/dbraw/zinc/23/47/71/426234771.db2.gz	POEWNHKEQRGBCR-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C[C@H]1SCCN(CCC(=O)Nc2sccc2C#N)[C@H]1C	ZINC000118413326	426235669	/nfs/dbraw/zinc/23/56/69/426235669.db2.gz	OGELAZULBGRDMG-WDEREUQCSA-N	0	3	309.460	2.774	20	30		DFEDHN
CCOCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000118398122	426235867	/nfs/dbraw/zinc/23/58/67/426235867.db2.gz	RFEGTAXFDGYTRB-HOTGVXAUSA-N	0	3	301.434	2.662	20	30		DFEDHN
C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cccc(C#N)c1	ZINC000174431163	426256354	/nfs/dbraw/zinc/25/63/54/426256354.db2.gz	CFWATCWIVAFWFX-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(c3cccc(Cl)c3)CC2)CC1	ZINC000150832669	426263353	/nfs/dbraw/zinc/26/33/53/426263353.db2.gz	ZBGYAOGUVMLTDM-UHFFFAOYSA-N	0	3	316.832	2.791	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCc2ccc(OC)cc2)CC1	ZINC000171717314	426206898	/nfs/dbraw/zinc/20/68/98/426206898.db2.gz	JPOAUDHEQSUFCB-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000171723318	426206987	/nfs/dbraw/zinc/20/69/87/426206987.db2.gz	BORRPWPMPVKYTK-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
CC(=O)N(C)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135145616	426207412	/nfs/dbraw/zinc/20/74/12/426207412.db2.gz	RJUOIQSHUAPVJX-UHFFFAOYSA-N	0	3	313.445	2.930	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2SCCc3sccc32)CC1	ZINC000080079647	426210969	/nfs/dbraw/zinc/21/09/69/426210969.db2.gz	MIXRDNGLZPOUCV-OAHLLOKOSA-N	0	3	322.499	2.845	20	30		DFEDHN
CC(C)CC[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000135306562	426213313	/nfs/dbraw/zinc/21/33/13/426213313.db2.gz	SHWRJRXFITXMMZ-MRXNPFEDSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000171844969	426216124	/nfs/dbraw/zinc/21/61/24/426216124.db2.gz	IDBIVTFYKLYALZ-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cn2)CC1	ZINC000175864750	426334254	/nfs/dbraw/zinc/33/42/54/426334254.db2.gz	QFVSRTXJGFXYAU-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
CC[C@@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000121359506	426336205	/nfs/dbraw/zinc/33/62/05/426336205.db2.gz	DXCQENKMNAHGRB-MJGOQNOKSA-N	0	3	313.445	2.885	20	30		DFEDHN
Cc1cccc([C@H](C)CN[C@H](C(N)=O)c2ccc(C#N)cc2)c1	ZINC000153622683	426395229	/nfs/dbraw/zinc/39/52/29/426395229.db2.gz	SZKOGGNGOYGXKH-KDOFPFPSSA-N	0	3	307.397	2.786	20	30		DFEDHN
Cc1n[nH]c(C)c1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000122842901	426397558	/nfs/dbraw/zinc/39/75/58/426397558.db2.gz	SSHOACQBWINDAG-UHFFFAOYSA-N	0	3	323.444	2.606	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cc(OC)ccc2F)CC1	ZINC000176651998	426402111	/nfs/dbraw/zinc/40/21/11/426402111.db2.gz	MCVMTQHNHZBLSZ-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCN2CCOCC2)cc1Cl	ZINC000092974655	426352475	/nfs/dbraw/zinc/35/24/75/426352475.db2.gz	VNXUJFWWKPWYKJ-UHFFFAOYSA-N	0	3	324.852	2.669	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC(OCCOC)CC1	ZINC000093339490	426354379	/nfs/dbraw/zinc/35/43/79/426354379.db2.gz	TZGDYEJDKRDIKU-UHFFFAOYSA-N	0	3	305.418	2.879	20	30		DFEDHN
Cc1nsc(N2CCCN(CC(C)(C)CCC#N)CC2)n1	ZINC000093717265	426358389	/nfs/dbraw/zinc/35/83/89/426358389.db2.gz	WTMKHGMLRIWPHG-UHFFFAOYSA-N	0	3	307.467	2.689	20	30		DFEDHN
CCN1CC[C@@H](N(C)C(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1	ZINC000153023680	426366912	/nfs/dbraw/zinc/36/69/12/426366912.db2.gz	OHCNTFIXCVYNPU-IAQYHMDHSA-N	0	3	321.371	2.639	20	30		DFEDHN
COCCOC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1	ZINC000154052382	426421392	/nfs/dbraw/zinc/42/13/92/426421392.db2.gz	HRSCQPPGKJMWFD-MRXNPFEDSA-N	0	3	307.821	2.676	20	30		DFEDHN
COCc1cccc(CNCc2cnc3ccc(C#N)cn23)c1	ZINC000123315468	426426713	/nfs/dbraw/zinc/42/67/13/426426713.db2.gz	JHYUVXBKCGUCHM-UHFFFAOYSA-N	0	3	306.369	2.642	20	30		DFEDHN
C=C(C)Cn1c(SCCN(C)C)nnc1-c1ccncc1	ZINC000123339898	426427529	/nfs/dbraw/zinc/42/75/29/426427529.db2.gz	DIMHKHVDGZGJAH-UHFFFAOYSA-N	0	3	303.435	2.570	20	30		DFEDHN
CC(=O)Nc1cccc(OCCNCc2ccc(C#N)s2)c1	ZINC000176962762	426428102	/nfs/dbraw/zinc/42/81/02/426428102.db2.gz	NTZLBZCUYRGPNW-UHFFFAOYSA-N	0	3	315.398	2.747	20	30		DFEDHN
Cn1c(CCNCc2ccc(C#N)s2)nc2c1cccc2F	ZINC000176969593	426429522	/nfs/dbraw/zinc/42/95/22/426429522.db2.gz	KOJSRLASBZJNPT-UHFFFAOYSA-N	0	3	314.389	2.978	20	30		DFEDHN
CN(C)C(=O)c1cccc(CCNCc2ccc(C#N)s2)c1	ZINC000176975682	426429643	/nfs/dbraw/zinc/42/96/43/426429643.db2.gz	YXZRNMYSMKBVNU-UHFFFAOYSA-N	0	3	313.426	2.654	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCc3cc(F)cc(F)c3)n2c1	ZINC000123529927	426439145	/nfs/dbraw/zinc/43/91/45/426439145.db2.gz	QSCIVLRMCMFOAI-UHFFFAOYSA-N	0	3	312.323	2.816	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cn2ccccc2c1C#N	ZINC000177351162	426470955	/nfs/dbraw/zinc/47/09/55/426470955.db2.gz	XAWFSCFTBVEZBE-SJORKVTESA-N	0	3	308.429	2.870	20	30		DFEDHN
N#CC(C(=O)NC1CCCCC1)c1nccn1CC(F)(F)F	ZINC000155497588	426472925	/nfs/dbraw/zinc/47/29/25/426472925.db2.gz	DKUTYPWOUMACHS-LLVKDONJSA-N	0	3	314.311	2.501	20	30		DFEDHN
CC[C@@]1(C)C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000177379369	426474617	/nfs/dbraw/zinc/47/46/17/426474617.db2.gz	RRGQNMLUWOLRPA-MJGOQNOKSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=C(C)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000101562967	426484950	/nfs/dbraw/zinc/48/49/50/426484950.db2.gz	ZRJBBPMKRKZEFD-INIZCTEOSA-N	0	3	322.474	2.561	20	30		DFEDHN
CC(=O)Nc1cccc(OCCNCc2cc(C#N)cs2)c1	ZINC000177696267	426508157	/nfs/dbraw/zinc/50/81/57/426508157.db2.gz	JIVDXEHIJXMNKJ-UHFFFAOYSA-N	0	3	315.398	2.747	20	30		DFEDHN
C=CCN(CCOC)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1	ZINC000195232793	426508989	/nfs/dbraw/zinc/50/89/89/426508989.db2.gz	BUJNJOBYEBJSIE-QGZVFWFLSA-N	0	3	312.454	2.768	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(CC)C[C@H]1CCCO1	ZINC000195312653	426514228	/nfs/dbraw/zinc/51/42/28/426514228.db2.gz	IWNUJRRRSVOBFU-ZWKOTPCHSA-N	0	3	319.445	2.656	20	30		DFEDHN
C#CCCCN1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1	ZINC000280181284	426515585	/nfs/dbraw/zinc/51/55/85/426515585.db2.gz	HDGJGFCHUHWSSS-UHFFFAOYSA-N	0	3	317.389	2.529	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cc(F)ccc2F)CC1	ZINC000264366399	426544815	/nfs/dbraw/zinc/54/48/15/426544815.db2.gz	IBEKGZHRBDWKQE-UHFFFAOYSA-N	0	3	323.387	2.805	20	30		DFEDHN
COC(=O)c1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000177993914	426551378	/nfs/dbraw/zinc/55/13/78/426551378.db2.gz	QLNIYXMPASBVID-GOSISDBHSA-N	0	3	324.380	2.510	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](CNC(=O)C(C)C)C1	ZINC000186199289	426493546	/nfs/dbraw/zinc/49/35/46/426493546.db2.gz	HNXHUWBZIZFCIQ-KRWDZBQOSA-N	0	3	313.445	2.851	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(C#N)cc2C)C[C@H]1CC	ZINC000186208027	426493892	/nfs/dbraw/zinc/49/38/92/426493892.db2.gz	ZZEGVEAFJPNAHG-LJQANCHMSA-N	0	3	315.461	2.799	20	30		DFEDHN
Cc1noc([C@H]2CCCN(Cc3ccc(OCC#N)cc3)C2)n1	ZINC000264520816	426567247	/nfs/dbraw/zinc/56/72/47/426567247.db2.gz	AGVDGHFCYKEOPN-HNNXBMFYSA-N	0	3	312.373	2.660	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1	ZINC000264526975	426569068	/nfs/dbraw/zinc/56/90/68/426569068.db2.gz	YSTQHCPTROIXCE-UHFFFAOYSA-N	0	3	301.365	2.687	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1	ZINC000264824805	426577987	/nfs/dbraw/zinc/57/79/87/426577987.db2.gz	YJIKOPVJGRAUDF-UHFFFAOYSA-N	0	3	323.396	2.832	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(SC)cn2)CC1	ZINC000273122562	426598629	/nfs/dbraw/zinc/59/86/29/426598629.db2.gz	RDLYXLDPWFQQTF-UHFFFAOYSA-N	0	3	320.462	2.966	20	30		DFEDHN
COc1ccc2c(c1)CN(C[C@H](O)c1ccc(C#N)cc1)CC2	ZINC000178304455	426602272	/nfs/dbraw/zinc/60/22/72/426602272.db2.gz	RJUPCBDFXVMZNK-IBGZPJMESA-N	0	3	308.381	2.659	20	30		DFEDHN
C#CCOc1ccc([C@@H](C)NCCNC(=O)c2ccccc2)cc1	ZINC000178021077	426555772	/nfs/dbraw/zinc/55/57/72/426555772.db2.gz	JFIZDKOBDLCZCH-MRXNPFEDSA-N	0	3	322.408	2.779	20	30		DFEDHN
N#Cc1cccc(/C=C/C(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000264474281	426559849	/nfs/dbraw/zinc/55/98/49/426559849.db2.gz	GWWCXEBBGAQJFY-LKGOPFMKSA-N	0	3	309.413	2.658	20	30		DFEDHN
COCC[C@H](NCCOc1cccc(C#N)c1)c1ccco1	ZINC000273302784	426640001	/nfs/dbraw/zinc/64/00/01/426640001.db2.gz	RUOSUNJDHCVYFB-INIZCTEOSA-N	0	3	300.358	2.897	20	30		DFEDHN
CC(C)[C@H]1CN(c2ccc(C#N)nn2)CCN1Cc1ccccc1	ZINC000528128657	269633688	/nfs/dbraw/zinc/63/36/88/269633688.db2.gz	WROUZHQVLPIMCA-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@H](OCc3ccncc3)C2)cc1	ZINC000280907565	426684388	/nfs/dbraw/zinc/68/43/88/426684388.db2.gz	FKIOHZDOGVFXDB-IBGZPJMESA-N	0	3	323.396	2.623	20	30		DFEDHN
COc1ccc(CN[C@H](C)CNC(=O)OC(C)(C)C)cc1C#N	ZINC000227687093	426628424	/nfs/dbraw/zinc/62/84/24/426628424.db2.gz	XGIORCSEXPWLNH-GFCCVEGCSA-N	0	3	319.405	2.570	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc1OC	ZINC000273681994	426708820	/nfs/dbraw/zinc/70/88/20/426708820.db2.gz	HDMNKWZVUZTATL-JLSDUUJJSA-N	0	3	321.417	2.542	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@H](C)CCc2cccc(F)c2)C1=O	ZINC000281347166	426714042	/nfs/dbraw/zinc/71/40/42/426714042.db2.gz	TWZMVNBXBODJMM-RHSMWYFYSA-N	0	3	304.409	2.866	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)[nH]1	ZINC000290113946	426694900	/nfs/dbraw/zinc/69/49/00/426694900.db2.gz	LWHUNBWWEHIFEB-UHFFFAOYSA-N	0	3	302.422	2.615	20	30		DFEDHN
COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1C#N	ZINC000281800726	426769193	/nfs/dbraw/zinc/76/91/93/426769193.db2.gz	VHHFMQDEKVEOEK-HXUWFJFHSA-N	0	3	322.408	2.881	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1	ZINC000245766202	426770203	/nfs/dbraw/zinc/77/02/03/426770203.db2.gz	QVCQIOHZUWSMFL-GOEBONIOSA-N	0	3	310.401	2.700	20	30		DFEDHN
CN(CCCO)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000281835647	426776824	/nfs/dbraw/zinc/77/68/24/426776824.db2.gz	SKJXLTLILMKJQP-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3ccc(C#N)cn3)c2)CC1	ZINC000274514231	426785057	/nfs/dbraw/zinc/78/50/57/426785057.db2.gz	VFMUZAHAONFQRL-UHFFFAOYSA-N	0	3	307.401	2.839	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCC#N)c2)CCN1C	ZINC000266375218	426725368	/nfs/dbraw/zinc/72/53/68/426725368.db2.gz	LSVWENQOUGARNW-ZFWWWQNUSA-N	0	3	316.405	2.535	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCOCC2	ZINC000274388880	426758301	/nfs/dbraw/zinc/75/83/01/426758301.db2.gz	BOOFMWGHSJYXQX-SJORKVTESA-N	0	3	318.392	2.761	20	30		DFEDHN
C=C(C)[C@H](N[C@H]1CCN(CCOC)C1)c1ccc(F)c(F)c1	ZINC000274731083	426825068	/nfs/dbraw/zinc/82/50/68/426825068.db2.gz	BYIIXIOSSDUTLV-YOEHRIQHSA-N	0	3	310.388	2.892	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1CCOC	ZINC000246389590	426829285	/nfs/dbraw/zinc/82/92/85/426829285.db2.gz	NZHSQLYUUXYBRO-CRAIPNDOSA-N	0	3	301.434	2.662	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000246404534	426831010	/nfs/dbraw/zinc/83/10/10/426831010.db2.gz	PPMNEHYQGKNEDG-KBXCAEBGSA-N	0	3	311.429	2.857	20	30		DFEDHN
C[C@H](CCCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1	ZINC000295160520	426842711	/nfs/dbraw/zinc/84/27/11/426842711.db2.gz	SCWZSUQJGJEKPA-GFCCVEGCSA-N	0	3	307.394	2.934	20	30		DFEDHN
CN(CCOCC1CC1)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180231754	426847585	/nfs/dbraw/zinc/84/75/85/426847585.db2.gz	AVVSPCVXYGWYAY-UHFFFAOYSA-N	0	3	324.428	2.817	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@H](C)C1	ZINC000246627511	426852250	/nfs/dbraw/zinc/85/22/50/426852250.db2.gz	HOIWHNOPNWGVCH-JFIYKMOQSA-N	0	3	313.445	2.873	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000246050787	426793432	/nfs/dbraw/zinc/79/34/32/426793432.db2.gz	UJIHIEDERVONMF-GJZGRUSLSA-N	0	3	312.454	2.645	20	30		DFEDHN
C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282562731	426919465	/nfs/dbraw/zinc/91/94/65/426919465.db2.gz	JVIGZEHPVHSYNH-MRXNPFEDSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000275699603	426898008	/nfs/dbraw/zinc/89/80/08/426898008.db2.gz	QHWOVAREQFPGEA-WMZOPIPTSA-N	0	3	304.434	2.634	20	30		DFEDHN
Cc1ccc(C#N)cc1OC[C@H](O)CN1CCc2ccccc2C1	ZINC000305314559	426908764	/nfs/dbraw/zinc/90/87/64/426908764.db2.gz	MNLYRVQUQKCXHZ-LJQANCHMSA-N	0	3	322.408	2.665	20	30		DFEDHN
C=CCCC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1	ZINC000275979525	426960621	/nfs/dbraw/zinc/96/06/21/426960621.db2.gz	ODHFCJVRFXZHRI-KRWDZBQOSA-N	0	3	301.434	2.861	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@](CO)(c3ccccc3)C2)c1	ZINC000291730260	426968272	/nfs/dbraw/zinc/96/82/72/426968272.db2.gz	JMOCECSNJHGPIQ-FQEVSTJZSA-N	0	3	322.408	2.573	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000189760723	426942463	/nfs/dbraw/zinc/94/24/63/426942463.db2.gz	LVPNARHYSRMOPZ-QFBILLFUSA-N	0	3	318.461	2.852	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1	ZINC000329148167	427055457	/nfs/dbraw/zinc/05/54/57/427055457.db2.gz	PMFNNNJNLHAAJC-VHDGCEQUSA-N	0	3	301.390	2.897	20	30		DFEDHN
CN(CCOc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000268579158	427056992	/nfs/dbraw/zinc/05/69/92/427056992.db2.gz	CLENIGJIXBCYPB-GOSISDBHSA-N	0	3	314.360	2.742	20	30		DFEDHN
C[C@H](CNC(=O)[C@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](C)C1	ZINC000328781952	426995572	/nfs/dbraw/zinc/99/55/72/426995572.db2.gz	FYOAQTYONWNGBG-MCIONIFRSA-N	0	3	304.438	2.592	20	30		DFEDHN
Cn1ncc2c1C[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)CC2	ZINC000328811242	427002069	/nfs/dbraw/zinc/00/20/69/427002069.db2.gz	MVGJAFQRISIISJ-BBRMVZONSA-N	0	3	318.465	2.602	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H]1CCc2n[nH]cc2C1)N1CCC(C)CC1	ZINC000328842796	427004345	/nfs/dbraw/zinc/00/43/45/427004345.db2.gz	VYQJUJMJFOCNAF-ZIAGYGMSSA-N	0	3	304.438	2.592	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)CCN1C	ZINC000328853333	427005087	/nfs/dbraw/zinc/00/50/87/427005087.db2.gz	CBLLCSLRGGIMSB-OCCSQVGLSA-N	0	3	303.406	2.800	20	30		DFEDHN
NC(=O)C[C@@H](NCC#Cc1ccc(F)cc1)C1CCCCC1	ZINC000181994842	427005572	/nfs/dbraw/zinc/00/55/72/427005572.db2.gz	FJQAWLIRPIDROJ-QGZVFWFLSA-N	0	3	302.393	2.591	20	30		DFEDHN
C[C@@H]1C[C@H](C(=O)NCC2(N3CCCC3)CCOCC2)CCC1=O	ZINC000328894631	427009440	/nfs/dbraw/zinc/00/94/40/427009440.db2.gz	AXPSQBHEFYUOGK-HUUCEWRRSA-N	0	3	322.449	2.593	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1	ZINC000268414544	427011547	/nfs/dbraw/zinc/01/15/47/427011547.db2.gz	ZSALTDMMLSJYQL-UHFFFAOYSA-N	0	3	312.413	2.684	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CN1C1CC1	ZINC000328913140	427013337	/nfs/dbraw/zinc/01/33/37/427013337.db2.gz	HVYQJNIRVZZJFD-NYTXWWLZSA-N	0	3	323.481	2.709	20	30		DFEDHN
O=C(NCc1noc(C2CC2)n1)[C@H]1CCCN1C1CCCC1	ZINC000328987758	427020366	/nfs/dbraw/zinc/02/03/66/427020366.db2.gz	CDGBBMJCDPHWAU-CYBMUJFWSA-N	0	3	304.394	2.811	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1	ZINC000182212606	427029304	/nfs/dbraw/zinc/02/93/04/427029304.db2.gz	LCJKBTGMCPWQPX-KXBFYZLASA-N	0	3	310.441	2.690	20	30		DFEDHN
CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268532980	427045706	/nfs/dbraw/zinc/04/57/06/427045706.db2.gz	JDLDPOYGKLNFQT-LJQANCHMSA-N	0	3	319.408	2.905	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)N1CCCN(C2CCCC2)CC1	ZINC000329136174	427050573	/nfs/dbraw/zinc/05/05/73/427050573.db2.gz	GVOITVOWLGAZKK-UHFFFAOYSA-N	0	3	319.453	2.533	20	30		DFEDHN
N#Cc1csc(CN2C[C@H](CO)[C@@H](c3ccsc3)C2)c1	ZINC000190291963	427065135	/nfs/dbraw/zinc/06/51/35/427065135.db2.gz	MSDFLBQDUBKEBE-UKRRQHHQSA-N	0	3	304.440	2.889	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC	ZINC000276434702	427068075	/nfs/dbraw/zinc/06/80/75/427068075.db2.gz	NZYVVJCMTOZOSB-KBPBESRZSA-N	0	3	320.433	2.777	20	30		DFEDHN
N#Cc1cccc(OCCN2CCOC[C@H](C3CCC3)C2)c1	ZINC000292052277	427071056	/nfs/dbraw/zinc/07/10/56/427071056.db2.gz	BSABMCOZOLTQMC-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CCOC	ZINC000249261357	427102544	/nfs/dbraw/zinc/10/25/44/427102544.db2.gz	HVJBEGDLYRLIOX-CRAIPNDOSA-N	0	3	301.434	2.662	20	30		DFEDHN
O=C(Nc1cccc2c1OCO2)N1CC[C@@H](N2CCCCC2)C1	ZINC000329421002	427112157	/nfs/dbraw/zinc/11/21/57/427112157.db2.gz	DRYHMEDWOYLJRW-CYBMUJFWSA-N	0	3	317.389	2.521	20	30		DFEDHN
CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CCOCC1	ZINC000329512788	427132051	/nfs/dbraw/zinc/13/20/51/427132051.db2.gz	NPADIISBFGFYBO-YJBOKZPZSA-N	0	3	324.465	2.528	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC1CC(F)(F)C1)C(C)C	ZINC000277073294	427135203	/nfs/dbraw/zinc/13/52/03/427135203.db2.gz	SPIVXOUNWBHRLD-AWEZNQCLSA-N	0	3	315.408	2.782	20	30		DFEDHN
O=C(N[C@@H]1CCc2[nH]cnc2C1)N[C@@H]1CCCc2ccccc21	ZINC000329640922	427154475	/nfs/dbraw/zinc/15/44/75/427154475.db2.gz	ZZZNSKRBEKCACY-UKRRQHHQSA-N	0	3	310.401	2.848	20	30		DFEDHN
O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@@H]1CCCc2ccccc21	ZINC000329640922	427154481	/nfs/dbraw/zinc/15/44/81/427154481.db2.gz	ZZZNSKRBEKCACY-UKRRQHHQSA-N	0	3	310.401	2.848	20	30		DFEDHN
[O-]C(N[C@@H]1CCc2nc[nH]c2C1)=[NH+][C@@H]1CCCc2ccccc21	ZINC000329640922	427154485	/nfs/dbraw/zinc/15/44/85/427154485.db2.gz	ZZZNSKRBEKCACY-UKRRQHHQSA-N	0	3	310.401	2.848	20	30		DFEDHN
C[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN(C2CCC2)C1	ZINC000292275684	427155488	/nfs/dbraw/zinc/15/54/88/427155488.db2.gz	LWAJINIDBUKIFK-CYBMUJFWSA-N	0	3	314.389	2.777	20	30		DFEDHN
CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccccc1Cl	ZINC000190683178	427159738	/nfs/dbraw/zinc/15/97/38/427159738.db2.gz	LXZQNLKTKMCYTK-KRWDZBQOSA-N	0	3	316.836	2.943	20	30		DFEDHN
CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1CCCN1C1CCOCC1	ZINC000329512786	427130239	/nfs/dbraw/zinc/13/02/39/427130239.db2.gz	NPADIISBFGFYBO-QAPCUYQASA-N	0	3	324.465	2.528	20	30		DFEDHN
Cc1c(C#N)c(NC[C@@H](O)CN2CCCCC2)nc2ccccc12	ZINC000296477547	427192150	/nfs/dbraw/zinc/19/21/50/427192150.db2.gz	KHSNQNMPZHZQSQ-OAHLLOKOSA-N	0	3	324.428	2.674	20	30		DFEDHN
Cc1nc(N2C[C@H](N3CCCC3)C[C@@H]2C)c(Cl)cc1C#N	ZINC000292540623	427193814	/nfs/dbraw/zinc/19/38/14/427193814.db2.gz	IHDOXFBDJBRSMZ-SMDDNHRTSA-N	0	3	304.825	2.978	20	30		DFEDHN
C[C@@H](O)CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C)CO	ZINC000190913658	427202102	/nfs/dbraw/zinc/20/21/02/427202102.db2.gz	KYFVTZNJBTYZPU-JKSUJKDBSA-N	0	3	324.424	2.789	20	30		DFEDHN
COc1ccc(CN(CC2CCC2)C(=O)C(C)C#N)c(OC)c1	ZINC000338237313	427206002	/nfs/dbraw/zinc/20/60/02/427206002.db2.gz	YDUNZCGLVHWPAO-CYBMUJFWSA-N	0	3	316.401	2.992	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCCO1)C(C)C	ZINC000338272819	427228582	/nfs/dbraw/zinc/22/85/82/427228582.db2.gz	VMQCHQLMWWDCTO-DLBZAZTESA-N	0	3	323.481	2.553	20	30		DFEDHN
CC(C)(C)OC(=O)NCCNC1(c2cccc(C#N)c2)CC1	ZINC000269622097	427234319	/nfs/dbraw/zinc/23/43/19/427234319.db2.gz	QMUBXSNFTUHOLB-UHFFFAOYSA-N	0	3	301.390	2.662	20	30		DFEDHN
CO[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000285462045	427237902	/nfs/dbraw/zinc/23/79/02/427237902.db2.gz	UHBGMWKSCKVSQC-CALCHBBNSA-N	0	3	310.401	2.568	20	30		DFEDHN
N#Cc1ccc(CNC(=O)CN[C@@H](c2ccccc2)C2CC2)cc1	ZINC000269652419	427240596	/nfs/dbraw/zinc/24/05/96/427240596.db2.gz	CECRSHLKHFJHBY-FQEVSTJZSA-N	0	3	319.408	2.915	20	30		DFEDHN
CCN1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285487264	427246699	/nfs/dbraw/zinc/24/66/99/427246699.db2.gz	PCPGQXLEDQVKJP-UHFFFAOYSA-N	0	3	317.408	2.529	20	30		DFEDHN
CC(C)c1ccoc1C(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000330472651	427247844	/nfs/dbraw/zinc/24/78/44/427247844.db2.gz	PMPJJQHSTVGYKF-AWEZNQCLSA-N	0	3	308.422	2.800	20	30		DFEDHN
COc1cccc(N2CCC[C@H](NCc3cc(C#N)n(C)c3)C2)c1	ZINC000191107110	427255716	/nfs/dbraw/zinc/25/57/16/427255716.db2.gz	VDTWNRYYTJYMRC-INIZCTEOSA-N	0	3	324.428	2.664	20	30		DFEDHN
CCc1ccc(NC(=O)NCC2CCN(CCO)CC2)cc1C	ZINC000330603964	427272979	/nfs/dbraw/zinc/27/29/79/427272979.db2.gz	KXJMZYSCZYABRL-UHFFFAOYSA-N	0	3	319.449	2.588	20	30		DFEDHN
COC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1	ZINC000183476663	427276395	/nfs/dbraw/zinc/27/63/95/427276395.db2.gz	SVZAKPOFYLXFAU-HNNXBMFYSA-N	0	3	313.319	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)CC1	ZINC000330665657	427287414	/nfs/dbraw/zinc/28/74/14/427287414.db2.gz	VRAZWFHUUXCBEQ-UHFFFAOYSA-N	0	3	322.840	2.634	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2ncc(Br)cc2C#N)CCN1C	ZINC000296994913	427300237	/nfs/dbraw/zinc/30/02/37/427300237.db2.gz	FNTYKTJNVUJNDG-GXFFZTMASA-N	0	3	323.238	2.635	20	30		DFEDHN
CCCCn1ncc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1C	ZINC000330781274	427301408	/nfs/dbraw/zinc/30/14/08/427301408.db2.gz	FORUPQXUZIMKEM-CYBMUJFWSA-N	0	3	319.453	2.968	20	30		DFEDHN
CCc1ccc([C@H](O)CNCc2ccc(OC)c(C#N)c2)cc1	ZINC000285658272	427302480	/nfs/dbraw/zinc/30/24/80/427302480.db2.gz	YXTQRBBJWGKEPY-GOSISDBHSA-N	0	3	310.397	2.952	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)NC2CCN(C3CC3)CC2)c1	ZINC000285673581	427305100	/nfs/dbraw/zinc/30/51/00/427305100.db2.gz	ZLLXZXCDDYHDMO-UHFFFAOYSA-N	0	3	303.793	2.568	20	30		DFEDHN
CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C	ZINC000338405892	427308276	/nfs/dbraw/zinc/30/82/76/427308276.db2.gz	PUJNYMSBQPCKRA-UHFFFAOYSA-N	0	3	301.434	2.885	20	30		DFEDHN
CC(=O)Nc1ccc(F)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000330914966	427314886	/nfs/dbraw/zinc/31/48/86/427314886.db2.gz	TWXBTHOVVORGJO-GXFFZTMASA-N	0	3	307.369	2.571	20	30		DFEDHN
CCC1(CC)[C@H](NCC(=O)Nc2sccc2C#N)C[C@H]1OC	ZINC000191369990	427333868	/nfs/dbraw/zinc/33/38/68/427333868.db2.gz	YVXIBIMGDZYHAH-CHWSQXEVSA-N	0	3	321.446	2.742	20	30		DFEDHN
C#CC[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1	ZINC000270364935	427335989	/nfs/dbraw/zinc/33/59/89/427335989.db2.gz	SEYFRGMDDAGENJ-NXHRZFHOSA-N	0	3	313.445	2.875	20	30		DFEDHN
C#CC[C@@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1	ZINC000270376962	427337978	/nfs/dbraw/zinc/33/79/78/427337978.db2.gz	FFMQQUPDFJOTGS-GOSISDBHSA-N	0	3	311.429	2.701	20	30		DFEDHN
COc1cc(C)ccc1NC(=O)NC[C@@]1(N(C)C)CCSC1	ZINC000331103185	427344740	/nfs/dbraw/zinc/34/47/40/427344740.db2.gz	DGSPFINNRMHXGM-INIZCTEOSA-N	0	3	323.462	2.767	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1F	ZINC000330673163	427289432	/nfs/dbraw/zinc/28/94/32/427289432.db2.gz	OYQKHZBPMADMLW-PBHICJAKSA-N	0	3	304.365	2.909	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](NCc3cc(C#N)n(C)c3)C2)cc1	ZINC000191219231	427289969	/nfs/dbraw/zinc/28/99/69/427289969.db2.gz	TZQRJYQMYVSYJV-QGZVFWFLSA-N	0	3	308.429	2.964	20	30		DFEDHN
CN(CCCOc1ccc(F)cc1)Cc1cc(C#N)n(C)c1	ZINC000191252165	427297448	/nfs/dbraw/zinc/29/74/48/427297448.db2.gz	BVGQGSSPEVPDMP-UHFFFAOYSA-N	0	3	301.365	2.937	20	30		DFEDHN
COc1cc(C)ccc1NC(=O)N[C@H](C)C1=CCN(C)CC1	ZINC000330749007	427298470	/nfs/dbraw/zinc/29/84/70/427298470.db2.gz	AQCDMPNKOJVSGH-CYBMUJFWSA-N	0	3	303.406	2.980	20	30		DFEDHN
CCN1CCC(NC(=O)NC[C@H](c2cccnc2)C(C)C)CC1	ZINC000331243785	427379415	/nfs/dbraw/zinc/37/94/15/427379415.db2.gz	ZDALKMWYGHHESP-KRWDZBQOSA-N	0	3	318.465	2.809	20	30		DFEDHN
COc1cc(C)cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1O	ZINC000331246854	427381603	/nfs/dbraw/zinc/38/16/03/427381603.db2.gz	VIFILPVQBBZZSB-LBPRGKRZSA-N	0	3	304.390	2.664	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000271053844	427387573	/nfs/dbraw/zinc/38/75/73/427387573.db2.gz	QSAJOGUOMADXLE-WMZOPIPTSA-N	0	3	300.402	2.694	20	30		DFEDHN
Cn1cc(CNC[C@](C)(O)c2ccccc2Cl)cc1C#N	ZINC000191602957	427387662	/nfs/dbraw/zinc/38/76/62/427387662.db2.gz	UNWNYBNGNRBSOC-INIZCTEOSA-N	0	3	303.793	2.547	20	30		DFEDHN
CCc1nc(C2CCN(Cc3ccc(C#N)cc3F)CC2)n[nH]1	ZINC000191690680	427406328	/nfs/dbraw/zinc/40/63/28/427406328.db2.gz	CNDPAZRFYMBMAG-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3ccc(C#N)cc3F)CC2)n1	ZINC000191690680	427406331	/nfs/dbraw/zinc/40/63/31/427406331.db2.gz	CNDPAZRFYMBMAG-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3ccc(C#N)cc3F)CC2)[nH]1	ZINC000191690680	427406336	/nfs/dbraw/zinc/40/63/36/427406336.db2.gz	CNDPAZRFYMBMAG-UHFFFAOYSA-N	0	3	313.380	2.757	20	30		DFEDHN
CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(C#N)c(F)c1	ZINC000293733466	427416750	/nfs/dbraw/zinc/41/67/50/427416750.db2.gz	OOFQKVSBTIYHQD-QWHCGFSZSA-N	0	3	305.397	2.900	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1	ZINC000270497599	427361457	/nfs/dbraw/zinc/36/14/57/427361457.db2.gz	YIFWTLKRHFEDIW-LESCRADOSA-N	0	3	311.429	2.675	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)OCC	ZINC000270645915	427364848	/nfs/dbraw/zinc/36/48/48/427364848.db2.gz	LQFVJZJOMWLCJK-JENIJYKNSA-N	0	3	316.445	2.919	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)OCC	ZINC000270645919	427365089	/nfs/dbraw/zinc/36/50/89/427365089.db2.gz	LQFVJZJOMWLCJK-LNLFQRSKSA-N	0	3	316.445	2.919	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000297788132	427452496	/nfs/dbraw/zinc/45/24/96/427452496.db2.gz	HCAMBYVYAGCTRU-UHFFFAOYSA-N	0	3	319.361	2.606	20	30		DFEDHN
CC[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(C#N)cc1	ZINC000278846112	427474253	/nfs/dbraw/zinc/47/42/53/427474253.db2.gz	VDZGHTBVLJQGOD-SJORKVTESA-N	0	3	316.401	2.521	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000297929551	427485967	/nfs/dbraw/zinc/48/59/67/427485967.db2.gz	LLDOTEQASPTPLB-WMZOPIPTSA-N	0	3	313.445	2.562	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000297929542	427486617	/nfs/dbraw/zinc/48/66/17/427486617.db2.gz	LLDOTEQASPTPLB-FUHWJXTLSA-N	0	3	313.445	2.562	20	30		DFEDHN
C#CCOc1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1	ZINC000271168243	427428559	/nfs/dbraw/zinc/42/85/59/427428559.db2.gz	IEXBACBNOIIWLK-UHFFFAOYSA-N	0	3	315.413	2.674	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000278344413	427431927	/nfs/dbraw/zinc/43/19/27/427431927.db2.gz	MHYKSYLKNBHHDS-KBAYOESNSA-N	0	3	316.445	2.604	20	30		DFEDHN
Cc1nsc(N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1C#N	ZINC000286308672	427487606	/nfs/dbraw/zinc/48/76/06/427487606.db2.gz	TWJGCIRQJFHXTB-DOMZBBRYSA-N	0	3	302.447	2.776	20	30		DFEDHN
CN(Cc1ccc(C#N)o1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000271200376	427445557	/nfs/dbraw/zinc/44/55/57/427445557.db2.gz	WECLRFTYJDSETA-UHFFFAOYSA-N	0	3	323.396	2.888	20	30		DFEDHN
CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cn5ccccc5c4C#N)[C@H]1[C@H]3C2	ZINC000286325323	427493668	/nfs/dbraw/zinc/49/36/68/427493668.db2.gz	DMIDKUCDZHDJKU-RSADAIHESA-N	0	3	307.397	2.666	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000278908888	427496057	/nfs/dbraw/zinc/49/60/57/427496057.db2.gz	QNGFXFFHIOTYMB-GOEBONIOSA-N	0	3	310.463	2.574	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000298017129	427502880	/nfs/dbraw/zinc/50/28/80/427502880.db2.gz	RCDMBABTCVGERW-AEFFLSMTSA-N	0	3	313.445	2.704	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H](COC)[C@@H]2CCCO2)cc1	ZINC000278930677	427505006	/nfs/dbraw/zinc/50/50/06/427505006.db2.gz	XKMKSVMSXRNLRW-QGTPRVQTSA-N	0	3	303.402	2.543	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](C)CC2)CC1	ZINC000192245854	427509189	/nfs/dbraw/zinc/50/91/89/427509189.db2.gz	JJDARDNITPLPGX-AWEZNQCLSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN2CCC[C@@H]2C1	ZINC000338864307	427528293	/nfs/dbraw/zinc/52/82/93/427528293.db2.gz	PMWFEJTWDXDPFS-LSDHHAIUSA-N	0	3	303.454	2.652	20	30		DFEDHN
Cc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000298196375	427530686	/nfs/dbraw/zinc/53/06/86/427530686.db2.gz	DDXDGNQZFHGWDU-NVXWUHKLSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCCN(C(=O)CC3CCCC3)CC2)C1	ZINC000338905298	427550773	/nfs/dbraw/zinc/55/07/73/427550773.db2.gz	QGGSSLOHGYBGLQ-SJORKVTESA-N	0	3	303.450	2.793	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000192496889	427551569	/nfs/dbraw/zinc/55/15/69/427551569.db2.gz	RBSVMHUFHQBQFX-GOSISDBHSA-N	0	3	322.412	2.766	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC[C@@H](C)C1	ZINC000278890070	427489121	/nfs/dbraw/zinc/48/91/21/427489121.db2.gz	OQQCUYNKVOZYDV-OLZOCXBDSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1	ZINC000338788822	427490517	/nfs/dbraw/zinc/49/05/17/427490517.db2.gz	NNJYVFLLXUPQSG-MRXNPFEDSA-N	0	3	319.497	2.829	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncs1	ZINC000338921671	427562067	/nfs/dbraw/zinc/56/20/67/427562067.db2.gz	UJLFCYOZUHYXBJ-RISCZKNCSA-N	0	3	310.382	2.574	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](OCCOC)C2)c1	ZINC000338953608	427584434	/nfs/dbraw/zinc/58/44/34/427584434.db2.gz	SHVVUYGXXBWJIJ-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](N3CCCC3)C2)cc1	ZINC000332359430	427588941	/nfs/dbraw/zinc/58/89/41/427588941.db2.gz	SBKLWQLJFMBHPT-IAGOWNOFSA-N	0	3	312.417	2.695	20	30		DFEDHN
C[C@@H]1CN([C@H](CN[C@H]2CC[C@H](C#N)C2)c2cccs2)CCO1	ZINC000338973081	427599602	/nfs/dbraw/zinc/59/96/02/427599602.db2.gz	RCBAUWIXVJNPAT-FXUDXRNXSA-N	0	3	319.474	2.792	20	30		DFEDHN
CC(C)N1CCN(CCCN(CCC#N)CC(C)(C)C)CC1	ZINC000192744727	427603322	/nfs/dbraw/zinc/60/33/22/427603322.db2.gz	MYXQKVFOEFAGRV-UHFFFAOYSA-N	0	3	308.514	2.664	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1	ZINC000185334748	427636427	/nfs/dbraw/zinc/63/64/27/427636427.db2.gz	NUVWRCKRYCXZBV-GOSISDBHSA-N	0	3	322.412	2.527	20	30		DFEDHN
CCOC(=O)CCCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264122471	427663182	/nfs/dbraw/zinc/66/31/82/427663182.db2.gz	MMSRNLIICSJPNB-UHFFFAOYSA-N	0	3	316.401	2.745	20	30		DFEDHN
CS[C@@H]1CN(c2nccc(C#N)c2Cl)C[C@H]1N1CCCC1	ZINC000343030960	272077162	/nfs/dbraw/zinc/07/71/62/272077162.db2.gz	ZEEYLYBFMVFUST-CHWSQXEVSA-N	0	3	322.865	2.623	20	30		DFEDHN
CC(=O)NC1CCC(N(C)Cc2ccc(F)c(C#N)c2)CC1	ZINC000344087826	272261342	/nfs/dbraw/zinc/26/13/42/272261342.db2.gz	ILSXRKYQDJFUFF-UHFFFAOYSA-N	0	3	303.381	2.576	20	30		DFEDHN
CC(C)[C@@H](CCO)NCc1ccc(Br)cc1C#N	ZINC000287750690	427683263	/nfs/dbraw/zinc/68/32/63/427683263.db2.gz	LQLWRZKNLSLQDN-CQSZACIVSA-N	0	3	311.223	2.817	20	30		DFEDHN
N#Cc1ccnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1	ZINC000287784700	427692357	/nfs/dbraw/zinc/69/23/57/427692357.db2.gz	OLXVELSYYQNGFR-GOSISDBHSA-N	0	3	322.412	2.656	20	30		DFEDHN
C=CCOCCNC1(c2ccc(OC)c(F)c2)CCOCC1	ZINC000339131899	427694097	/nfs/dbraw/zinc/69/40/97/427694097.db2.gz	XGSHAWLEWGOQOA-UHFFFAOYSA-N	0	3	309.381	2.632	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000339132309	427694601	/nfs/dbraw/zinc/69/46/01/427694601.db2.gz	HROXUPPJVHXZOG-QZTJIDSGSA-N	0	3	319.445	2.656	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C2CCOCC2)C1	ZINC000339136214	427695640	/nfs/dbraw/zinc/69/56/40/427695640.db2.gz	ZWMRYDDSKFSHGJ-DOTOQJQBSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)COCc1ccccc1	ZINC000272308847	427705610	/nfs/dbraw/zinc/70/56/10/427705610.db2.gz	REBCCWCAISCJRA-SFHVURJKSA-N	0	3	315.413	2.888	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000272328421	427709525	/nfs/dbraw/zinc/70/95/25/427709525.db2.gz	VSMZAZCFXZGNAG-KRWDZBQOSA-N	0	3	316.357	2.952	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)OCC	ZINC000339368123	427761350	/nfs/dbraw/zinc/76/13/50/427761350.db2.gz	POFNTEZOQLIKQP-AEFFLSMTSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)OCC	ZINC000339368337	427761643	/nfs/dbraw/zinc/76/16/43/427761643.db2.gz	POFNTEZOQLIKQP-WMZOPIPTSA-N	0	3	318.461	2.994	20	30		DFEDHN
C#CCN(CCC(=O)Nc1ccccc1Br)C1CC1	ZINC000299470666	427765343	/nfs/dbraw/zinc/76/53/43/427765343.db2.gz	YMHVKSXGXDMPOD-UHFFFAOYSA-N	0	3	321.218	2.875	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1	ZINC000299456745	427766159	/nfs/dbraw/zinc/76/61/59/427766159.db2.gz	WDPREAYEUDCEPZ-UHFFFAOYSA-N	0	3	319.836	2.690	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCO[C@H](C)C2)CC1	ZINC000334038142	427731918	/nfs/dbraw/zinc/73/19/18/427731918.db2.gz	VPRORZQFQTZJBE-CVEARBPZSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000194416660	427741447	/nfs/dbraw/zinc/74/14/47/427741447.db2.gz	UZRKUVDUBHOGEW-GOSISDBHSA-N	0	3	313.445	2.892	20	30		DFEDHN
CCN1CCC[C@@H](Nc2ncc(Br)cc2C#N)C1	ZINC000336785817	427752235	/nfs/dbraw/zinc/75/22/35/427752235.db2.gz	ANUGBGZNACRPBU-GFCCVEGCSA-N	0	3	309.211	2.612	20	30		DFEDHN
CC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1CCOC	ZINC000301427875	427795865	/nfs/dbraw/zinc/79/58/65/427795865.db2.gz	URILRAFNKGOBOW-CQSZACIVSA-N	0	3	307.825	2.759	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2ccc(Cl)cc2C#N)CC1	ZINC000301526071	427802634	/nfs/dbraw/zinc/80/26/34/427802634.db2.gz	NITLFGVBFNTYKP-ZDUSSCGKSA-N	0	3	306.841	2.650	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000355661247	427837245	/nfs/dbraw/zinc/83/72/45/427837245.db2.gz	OICUMUJUSWBMIR-KRWDZBQOSA-N	0	3	311.429	2.841	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000355661263	427841197	/nfs/dbraw/zinc/84/11/97/427841197.db2.gz	OICUMUJUSWBMIR-QGZVFWFLSA-N	0	3	311.429	2.841	20	30		DFEDHN
N#Cc1cccc(CCN[C@H](C(=O)NC2CC2)c2ccccc2)c1	ZINC000355669758	427842872	/nfs/dbraw/zinc/84/28/72/427842872.db2.gz	HSRBPVCZABDDFY-IBGZPJMESA-N	0	3	319.408	2.710	20	30		DFEDHN
CC(C)CN(CCN1CCO[C@@H](C)C1)Cc1ccc(C#N)cc1	ZINC000337343856	427855752	/nfs/dbraw/zinc/85/57/52/427855752.db2.gz	YGGOYKGNZXGNDB-KRWDZBQOSA-N	0	3	315.461	2.737	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2cc3c(c(Br)c2)OCO3)C1	ZINC000349814044	427871945	/nfs/dbraw/zinc/87/19/45/427871945.db2.gz	QXLCOMPTOGMURN-MWLCHTKSSA-N	0	3	323.190	2.960	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccon1	ZINC000349834347	427876552	/nfs/dbraw/zinc/87/65/52/427876552.db2.gz	OJKVELRGMPOREI-CQSZACIVSA-N	0	3	310.401	2.861	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(Br)ccc(F)c2C1	ZINC000349858778	427882647	/nfs/dbraw/zinc/88/26/47/427882647.db2.gz	RKQVVCJVQIYZSR-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H](c2cccs2)N2CCCC2)n1	ZINC000339974251	427891939	/nfs/dbraw/zinc/89/19/39/427891939.db2.gz	UXRNHJNYYBFRTG-OAHLLOKOSA-N	0	3	312.442	3.572	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C	ZINC000337414044	427893748	/nfs/dbraw/zinc/89/37/48/427893748.db2.gz	OPGYADDOPMGDGW-WFASDCNBSA-N	0	3	321.396	2.513	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCc2ccccc2C1	ZINC000303609347	427905119	/nfs/dbraw/zinc/90/51/19/427905119.db2.gz	WIFAPHGQJWLCNJ-SFHVURJKSA-N	0	3	300.446	2.900	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@@H](Nc3ccccc3)C2)cc1	ZINC000305089338	427954765	/nfs/dbraw/zinc/95/47/65/427954765.db2.gz	WCJFMNQYDNLWIJ-MOPGFXCFSA-N	0	3	307.397	2.778	20	30		DFEDHN
Cc1cc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)ccc1F	ZINC000350631613	427960467	/nfs/dbraw/zinc/96/04/67/427960467.db2.gz	JPKOWDSRNQUUHR-VHSXEESVSA-N	0	3	302.309	2.521	20	30		DFEDHN
Cc1c(Cl)cccc1N1CCCN(C(=O)C(C)C#N)CC1	ZINC000355996249	427976454	/nfs/dbraw/zinc/97/64/54/427976454.db2.gz	IDMAGQNJQRSRED-LBPRGKRZSA-N	0	3	305.809	2.847	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(CC)CCOCC2)CC1	ZINC000341086642	427987612	/nfs/dbraw/zinc/98/76/12/427987612.db2.gz	HVTPKKPIANHQSP-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)NCCCCC#N)[C@H]1c1cccs1	ZINC000369538684	427992799	/nfs/dbraw/zinc/99/27/99/427992799.db2.gz	DOXGRRKTYUMTFI-ZFWWWQNUSA-N	0	3	320.462	2.734	20	30		DFEDHN
C=C(C)COc1cc(CNC[C@@]2(OC)CCOC2)ccc1OC	ZINC000359616907	427938281	/nfs/dbraw/zinc/93/82/81/427938281.db2.gz	DTKWXVGCMYNRFY-SFHVURJKSA-N	0	3	321.417	2.545	20	30		DFEDHN
COc1ccc([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000341222884	428020917	/nfs/dbraw/zinc/02/09/17/428020917.db2.gz	SZUMEYKYPDXSGB-PMUMKWKESA-N	0	3	317.433	2.789	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O	ZINC000359793058	428020983	/nfs/dbraw/zinc/02/09/83/428020983.db2.gz	PGKUTSZCLJCIHV-BLBGDKDGSA-N	0	3	313.184	2.570	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cc(Cl)c2c(c1)OCCCO2	ZINC000341283116	428033341	/nfs/dbraw/zinc/03/33/41/428033341.db2.gz	WAEXEBOSJZAHAD-LBPRGKRZSA-N	0	3	311.809	2.776	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(C)[C@H]1C	ZINC000413439368	428050737	/nfs/dbraw/zinc/05/07/37/428050737.db2.gz	NJNSKJSKQDVQOR-CGTJXYLNSA-N	0	3	315.461	2.956	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000369824005	428071757	/nfs/dbraw/zinc/07/17/57/428071757.db2.gz	XNPPNMYMPXQUQF-SJORKVTESA-N	0	3	301.434	2.822	20	30		DFEDHN
C[C@H](NC[C@H]1CCCN1c1cccnn1)c1ccc(C#N)s1	ZINC000369840234	428073195	/nfs/dbraw/zinc/07/31/95/428073195.db2.gz	KJZVUQPWLAASGN-QWHCGFSZSA-N	0	3	313.430	2.729	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359917102	428074522	/nfs/dbraw/zinc/07/45/22/428074522.db2.gz	LICHXHKAVONTAP-SNVBAGLBSA-N	0	3	318.239	2.514	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000359978194	428101848	/nfs/dbraw/zinc/10/18/48/428101848.db2.gz	NRKOPADOUDVXQY-UHFFFAOYSA-N	0	3	300.406	2.754	20	30		DFEDHN
CC(C)[C@H](CNC(=O)CCCC#N)N1CCc2ccccc2C1	ZINC000359984126	428102751	/nfs/dbraw/zinc/10/27/51/428102751.db2.gz	KQICCQXFZCMDJG-SFHVURJKSA-N	0	3	313.445	2.879	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN(CCCC(C)(C)C#N)CC2)no1	ZINC000369999872	428105772	/nfs/dbraw/zinc/10/57/72/428105772.db2.gz	WJQLOKYPAJAQGX-UHFFFAOYSA-N	0	3	318.421	2.507	20	30		DFEDHN
C=C(C)CN(C)C(=O)NC1CCN(Cc2cccs2)CC1	ZINC000359993935	428108231	/nfs/dbraw/zinc/10/82/31/428108231.db2.gz	AHDFEPKHSYJIFX-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
C[C@@H](C(=O)NCCN(C)Cc1ccccc1)c1cccc(C#N)c1	ZINC000360031005	428124488	/nfs/dbraw/zinc/12/44/88/428124488.db2.gz	BRVRVHOKUCWULE-MRXNPFEDSA-N	0	3	321.424	2.910	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NC[C@H](C)N1CCCC[C@H]1C	ZINC000341421043	428065413	/nfs/dbraw/zinc/06/54/13/428065413.db2.gz	TXNYIAVRWFWIRZ-CABCVRRESA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CCCCO2)C1	ZINC000370091353	428129462	/nfs/dbraw/zinc/12/94/62/428129462.db2.gz	BLBBFPUWHQANFW-SJLPKXTDSA-N	0	3	306.450	2.611	20	30		DFEDHN
C[C@@H]1COCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000370180879	428153326	/nfs/dbraw/zinc/15/33/26/428153326.db2.gz	DSFQPZKYNKXYLH-INIZCTEOSA-N	0	3	324.428	2.932	20	30		DFEDHN
COc1cc(CNCCN2CCCC(C)(C)C2)ccc1C#N	ZINC000346417338	428161646	/nfs/dbraw/zinc/16/16/46/428161646.db2.gz	CJPOBKNRZSNPHI-UHFFFAOYSA-N	0	3	301.434	2.778	20	30		DFEDHN
C[C@@H](C(=O)NC[C@H](C)N1CCC(C)CC1)c1cccc(C#N)c1	ZINC000360120342	428169736	/nfs/dbraw/zinc/16/97/36/428169736.db2.gz	UTMFLAPPRFMCPD-JKSUJKDBSA-N	0	3	313.445	2.898	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](O)C(C)C	ZINC000413970497	428174995	/nfs/dbraw/zinc/17/49/95/428174995.db2.gz	GLQITCIGQPCBHD-IXDOHACOSA-N	0	3	302.418	2.671	20	30		DFEDHN
COC1([C@H](C)NC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000413978696	428177083	/nfs/dbraw/zinc/17/70/83/428177083.db2.gz	WOBABKPETRFNJA-GOEBONIOSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC(c2cnccn2)CC1	ZINC000370454230	428212264	/nfs/dbraw/zinc/21/22/64/428212264.db2.gz	XYYVRKPWFXAMKJ-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
C[C@H](NCC(C)(C)CC#N)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000414163113	428221855	/nfs/dbraw/zinc/22/18/55/428221855.db2.gz	IBPJDGWQMHJAPP-NSHDSACASA-N	0	3	312.410	2.820	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCc3nc[nH]c3C2)c1Cl	ZINC000377790101	428228954	/nfs/dbraw/zinc/22/89/54/428228954.db2.gz	WQHVYGKKFKEGOD-JTQLQIEISA-N	0	3	304.756	2.721	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCc3[nH]cnc3C2)c1Cl	ZINC000377790101	428228962	/nfs/dbraw/zinc/22/89/62/428228962.db2.gz	WQHVYGKKFKEGOD-JTQLQIEISA-N	0	3	304.756	2.721	20	30		DFEDHN
N#Cc1cccc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1	ZINC000370388488	428199702	/nfs/dbraw/zinc/19/97/02/428199702.db2.gz	UBHRMYWVRLMXHD-LJQANCHMSA-N	0	3	319.408	2.953	20	30		DFEDHN
C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccc(C#N)c1	ZINC000360362808	428267646	/nfs/dbraw/zinc/26/76/46/428267646.db2.gz	IUIHQRJISDBLHU-OAHLLOKOSA-N	0	3	313.445	2.995	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	ZINC000341996528	428272362	/nfs/dbraw/zinc/27/23/62/428272362.db2.gz	ROYRVWZKSASHFS-UHFFFAOYSA-N	0	3	303.362	2.884	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C	ZINC000360399195	428282603	/nfs/dbraw/zinc/28/26/03/428282603.db2.gz	BIBOMZUKTOJBAL-MJGOQNOKSA-N	0	3	316.445	2.703	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCCC[C@@H]1CCO	ZINC000356727434	428286352	/nfs/dbraw/zinc/28/63/52/428286352.db2.gz	CRMHBZZNXVBKLP-ZWKOTPCHSA-N	0	3	314.429	2.913	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCCC[C@H]1CCO	ZINC000356727433	428286548	/nfs/dbraw/zinc/28/65/48/428286548.db2.gz	CRMHBZZNXVBKLP-ROUUACIJSA-N	0	3	314.429	2.913	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)[C@H]2C1	ZINC000356738998	428290761	/nfs/dbraw/zinc/29/07/61/428290761.db2.gz	NMEMLNWLYZIYDN-KURKYZTESA-N	0	3	311.429	2.627	20	30		DFEDHN
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C2CC2)C1	ZINC000346735524	428296168	/nfs/dbraw/zinc/29/61/68/428296168.db2.gz	JVHAFAXOJIOAIF-KRWDZBQOSA-N	0	3	309.413	2.550	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNc2nccc(C#N)c2Cl)C1	ZINC000342114770	428305305	/nfs/dbraw/zinc/30/53/05/428305305.db2.gz	NGRREVJIRGDSOU-LBPRGKRZSA-N	0	3	306.841	3.529	20	30		DFEDHN
C[C@@H]1CCN(CC#CCN2CCS[C@H](C)CC2)CCS1	ZINC000342136407	428318724	/nfs/dbraw/zinc/31/87/24/428318724.db2.gz	VAJBCNUIYILCES-HZPDHXFCSA-N	0	3	312.548	2.645	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccc1C#N	ZINC000414543990	428332067	/nfs/dbraw/zinc/33/20/67/428332067.db2.gz	CSYQJFGCUHUMSD-QUCCMNQESA-N	0	3	319.408	2.976	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)c1ncc(C#N)cc1Cl	ZINC000342198373	428345362	/nfs/dbraw/zinc/34/53/62/428345362.db2.gz	VFXDAMQFZIGSJH-UHFFFAOYSA-N	0	3	320.824	2.555	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000346970700	428390085	/nfs/dbraw/zinc/39/00/85/428390085.db2.gz	YCRIMBUEZJHFGP-QGZVFWFLSA-N	0	3	316.420	2.891	20	30		DFEDHN
CN(CCC#N)C(=O)CCN[C@H](c1ccccn1)C1CCCC1	ZINC000371550583	428394359	/nfs/dbraw/zinc/39/43/59/428394359.db2.gz	CWDMZIGIIIMANS-SFHVURJKSA-N	0	3	314.433	2.665	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1	ZINC000371655022	428397915	/nfs/dbraw/zinc/39/79/15/428397915.db2.gz	XXOJBIFVKLEUBR-DOTOQJQBSA-N	0	3	316.449	2.557	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H]2CCCOC2)CC1	ZINC000371636333	428398851	/nfs/dbraw/zinc/39/88/51/428398851.db2.gz	BZDIEFYKBJOOMF-SJLPKXTDSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CCO[C@H]2C2CC2)cc(OC)c1O	ZINC000371220286	428378922	/nfs/dbraw/zinc/37/89/22/428378922.db2.gz	PWWODSGRGVWAPF-QAPCUYQASA-N	0	3	303.402	2.786	20	30		DFEDHN
C=CCN(Cc1c[nH]nc1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371376127	428385801	/nfs/dbraw/zinc/38/58/01/428385801.db2.gz	XFAXZJNOCVAZTE-LJQANCHMSA-N	0	3	310.445	2.981	20	30		DFEDHN
COc1cccc(Oc2ccc(CNC(=O)C(C)C#N)cn2)c1	ZINC000347074576	428434160	/nfs/dbraw/zinc/43/41/60/428434160.db2.gz	RRODBKWVRINCIN-GFCCVEGCSA-N	0	3	311.341	2.658	20	30		DFEDHN
C[C@H](C(=O)N1CCCC12CCN(C)CC2)c1cccc(C#N)c1	ZINC000360771817	428434681	/nfs/dbraw/zinc/43/46/81/428434681.db2.gz	ZBHKFTMXCCENTL-HNNXBMFYSA-N	0	3	311.429	2.749	20	30		DFEDHN
CN(C)C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000342744602	428443196	/nfs/dbraw/zinc/44/31/96/428443196.db2.gz	MDQCXKGXLBVSKB-GOSISDBHSA-N	0	3	319.412	2.598	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000360799981	428445058	/nfs/dbraw/zinc/44/50/58/428445058.db2.gz	UUMGLGQPBABRAK-ZWNOBZJWSA-N	0	3	312.291	2.765	20	30		DFEDHN
C=CCCN(C)CC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000342766127	428449260	/nfs/dbraw/zinc/44/92/60/428449260.db2.gz	SMJLMQGTWZZLAD-UHFFFAOYSA-N	0	3	300.446	2.976	20	30		DFEDHN
C[C@@H]1OCC[C@]1(O)CN(CCC(C)(C)C#N)Cc1ccccc1	ZINC000347111450	428452432	/nfs/dbraw/zinc/45/24/32/428452432.db2.gz	YDXMGSZNCYLOCY-LPHOPBHVSA-N	0	3	316.445	2.968	20	30		DFEDHN
C=CCOCCNC[C@H](O)COc1ccc(Cl)cc1Cl	ZINC000380241280	428455285	/nfs/dbraw/zinc/45/52/85/428455285.db2.gz	NJWZEOWWDQVRIT-LBPRGKRZSA-N	0	3	320.216	2.525	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNc1nccc(C#N)c1Cl	ZINC000342787950	428456520	/nfs/dbraw/zinc/45/65/20/428456520.db2.gz	WNNWNTORJIVITI-AWEZNQCLSA-N	0	3	306.841	3.529	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1	ZINC000347120174	428457264	/nfs/dbraw/zinc/45/72/64/428457264.db2.gz	XJHDFPVPMUMCNL-OWYJLGKBSA-N	0	3	301.390	2.815	20	30		DFEDHN
Cn1cc(C2CCN(CCCOc3ccc(C#N)cc3)CC2)cn1	ZINC000372551599	428464087	/nfs/dbraw/zinc/46/40/87/428464087.db2.gz	UZXHUBKVCIWFQH-UHFFFAOYSA-N	0	3	324.428	2.940	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000389954620	428467289	/nfs/dbraw/zinc/46/72/89/428467289.db2.gz	TXVBOECBIBSBEC-WBVHZDCISA-N	0	3	313.445	2.953	20	30		DFEDHN
Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C(C)C#N	ZINC000347054784	428427906	/nfs/dbraw/zinc/42/79/06/428427906.db2.gz	AEWTUFPPSSLOOP-CYBMUJFWSA-N	0	3	310.401	2.916	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1	ZINC000353325514	428488427	/nfs/dbraw/zinc/48/84/27/428488427.db2.gz	BCGUGHBQZVTLGT-GJZGRUSLSA-N	0	3	305.422	2.502	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1COc3ccccc3O1)CC2	ZINC000353349690	428498087	/nfs/dbraw/zinc/49/80/87/428498087.db2.gz	LLRQFBGWGIKVAR-WBVHZDCISA-N	0	3	306.365	2.975	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](COC(F)F)C1	ZINC000342981116	428499112	/nfs/dbraw/zinc/49/91/12/428499112.db2.gz	BIJBOSBJKAPLMX-HUUCEWRRSA-N	0	3	322.355	2.847	20	30		DFEDHN
COc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000347226030	428501715	/nfs/dbraw/zinc/50/17/15/428501715.db2.gz	LYBKXXMDFCVFHP-ZDUSSCGKSA-N	0	3	320.352	2.775	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000342995681	428502254	/nfs/dbraw/zinc/50/22/54/428502254.db2.gz	CXJIBAHQWXWLKV-IXPVHAAZSA-N	0	3	323.799	2.748	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1	ZINC000372859375	428503330	/nfs/dbraw/zinc/50/33/30/428503330.db2.gz	RBNZLYMMBZOZHW-ROUUACIJSA-N	0	3	323.525	2.831	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)C1(CC)CC	ZINC000360948748	428504370	/nfs/dbraw/zinc/50/43/70/428504370.db2.gz	VTWATPKIHMGTJM-HRCADAONSA-N	0	3	323.481	2.568	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)C[C@@H]21	ZINC000372980280	428510349	/nfs/dbraw/zinc/51/03/49/428510349.db2.gz	NJTAJKCAPNZPAU-YOEHRIQHSA-N	0	3	311.429	2.654	20	30		DFEDHN
N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2N[C@H](CCO)c2ccco2)O1	ZINC000373238490	428524279	/nfs/dbraw/zinc/52/42/79/428524279.db2.gz	BDKDETZJUSUWEK-QCODTGAPSA-N	0	3	304.390	2.533	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1	ZINC000407988356	428587420	/nfs/dbraw/zinc/58/74/20/428587420.db2.gz	BPZVDLARPJYLML-RHSMWYFYSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@@H](C)CN(C)Cc1ccccc1)OCC	ZINC000343260086	428540121	/nfs/dbraw/zinc/54/01/21/428540121.db2.gz	PFWXAXFZNGCCEJ-WMZOPIPTSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCOCC1)C(C)C	ZINC000373313431	428545280	/nfs/dbraw/zinc/54/52/80/428545280.db2.gz	LMBNWNADHBZCQV-IAGOWNOFSA-N	0	3	308.466	2.618	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1	ZINC000361290899	428552214	/nfs/dbraw/zinc/55/22/14/428552214.db2.gz	QGFKJWFQQYQQQO-SFHVURJKSA-N	0	3	313.445	2.536	20	30		DFEDHN
C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCCC#N	ZINC000361755526	428594122	/nfs/dbraw/zinc/59/41/22/428594122.db2.gz	RHLWCPQTERWMSI-CQSZACIVSA-N	0	3	321.446	2.523	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000361357901	428559535	/nfs/dbraw/zinc/55/95/35/428559535.db2.gz	ZRAJIFRZUSMSKG-AEFFLSMTSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)c2c(C)noc2C)CC1	ZINC000357823489	428566112	/nfs/dbraw/zinc/56/61/12/428566112.db2.gz	VSWMRULETBLQHP-HNNXBMFYSA-N	0	3	305.422	2.552	20	30		DFEDHN
CN(CCN1CCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000343708183	428566108	/nfs/dbraw/zinc/56/61/08/428566108.db2.gz	BDRRBFCWFNYRQH-UHFFFAOYSA-N	0	3	317.437	2.674	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000361472629	428569931	/nfs/dbraw/zinc/56/99/31/428569931.db2.gz	ZSFFQCMXJDQOIF-ZBFHGGJFSA-N	0	3	319.474	2.844	20	30		DFEDHN
COCCN(CC[C@H]1CCCCO1)Cc1ccc(C#N)cc1	ZINC000347389915	428570029	/nfs/dbraw/zinc/57/00/29/428570029.db2.gz	GQUQFQRFVNRKBW-GOSISDBHSA-N	0	3	302.418	2.966	20	30		DFEDHN
C=CCCOCCN[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000358359092	428596883	/nfs/dbraw/zinc/59/68/83/428596883.db2.gz	AAUIGTURVDFZLI-CYBMUJFWSA-N	0	3	306.406	2.897	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2ccnn2C)C1	ZINC000362085007	428616796	/nfs/dbraw/zinc/61/67/96/428616796.db2.gz	FIOWSHKSCCGHEK-MRXNPFEDSA-N	0	3	309.413	2.812	20	30		DFEDHN
C[C@@H](C(=O)N(C)[C@H](C)C1CCN(C)CC1)c1cccc(C#N)c1	ZINC000362118668	428627843	/nfs/dbraw/zinc/62/78/43/428627843.db2.gz	OYQLFFXXYYASGE-HUUCEWRRSA-N	0	3	313.445	2.850	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C	ZINC000347828860	428628520	/nfs/dbraw/zinc/62/85/20/428628520.db2.gz	QDMCZVMLTXTVRD-GXFFZTMASA-N	0	3	313.323	2.584	20	30		DFEDHN
COCC[C@H](NCCOc1ccc(C#N)cc1)c1ccco1	ZINC000347938658	428632669	/nfs/dbraw/zinc/63/26/69/428632669.db2.gz	WKPWVOVZGWFERM-INIZCTEOSA-N	0	3	300.358	2.897	20	30		DFEDHN
CNCc1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1	ZINC000415944371	428633857	/nfs/dbraw/zinc/63/38/57/428633857.db2.gz	OZYMCDBJVHBHDL-UHFFFAOYSA-N	0	3	312.373	2.947	20	30		DFEDHN
COCCN1[C@H](C)CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000132051999	274034705	/nfs/dbraw/zinc/03/47/05/274034705.db2.gz	GCZHXAHLNPAWJL-BETUJISGSA-N	0	3	307.825	2.757	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CC1	ZINC000373879759	428655620	/nfs/dbraw/zinc/65/56/20/428655620.db2.gz	HVOSBLUKYJKNMH-SAABIXHNSA-N	0	3	314.404	2.533	20	30		DFEDHN
COc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)ccc1C#N	ZINC000374147634	428666613	/nfs/dbraw/zinc/66/66/13/428666613.db2.gz	IXZQXBGIZPAIEE-XLIONFOSSA-N	0	3	322.408	2.952	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000374243900	428670506	/nfs/dbraw/zinc/67/05/06/428670506.db2.gz	KKYJPHMOFJGLHU-INIZCTEOSA-N	0	3	320.481	2.834	20	30		DFEDHN
C=C[C@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000353776539	428708548	/nfs/dbraw/zinc/70/85/48/428708548.db2.gz	RPGMXIAURKOAGB-ZFWWWQNUSA-N	0	3	308.372	2.835	20	30		DFEDHN
C=C[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000353776524	428709104	/nfs/dbraw/zinc/70/91/04/428709104.db2.gz	RPGMXIAURKOAGB-HIFRSBDPSA-N	0	3	308.372	2.835	20	30		DFEDHN
CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCCC#N)C1	ZINC000362353400	428717579	/nfs/dbraw/zinc/71/75/79/428717579.db2.gz	NPWZUPOYPFAKGW-ZDUSSCGKSA-N	0	3	319.371	2.803	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416344125	428721550	/nfs/dbraw/zinc/72/15/50/428721550.db2.gz	UZVJKUBPVNSARS-IYOUNJFTSA-N	0	3	311.429	2.925	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NC[C@@H]2CCCN2CC)cc1	ZINC000353726042	428678738	/nfs/dbraw/zinc/67/87/38/428678738.db2.gz	RIHVROOEQPKZGV-INIZCTEOSA-N	0	3	317.433	2.535	20	30		DFEDHN
C[C@@H](C#N)CN(C(=O)CCN1CCc2ccccc2C1)C1CC1	ZINC000416182175	428685918	/nfs/dbraw/zinc/68/59/18/428685918.db2.gz	UTGRGIZKPUYMGU-HNNXBMFYSA-N	0	3	311.429	2.585	20	30		DFEDHN
COc1cc(CNC(=O)c2ccc(CN(C)C)cc2)ccc1C#N	ZINC000358965099	428752691	/nfs/dbraw/zinc/75/26/91/428752691.db2.gz	RMUOLNFCAMYRKC-UHFFFAOYSA-N	0	3	323.396	2.558	20	30		DFEDHN
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC(C)(C)CCC#N)C1	ZINC000374788639	428754247	/nfs/dbraw/zinc/75/42/47/428754247.db2.gz	PZLRDVDKIOPYNS-CQSZACIVSA-N	0	3	317.437	2.877	20	30		DFEDHN
CC(C)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348484031	428757073	/nfs/dbraw/zinc/75/70/73/428757073.db2.gz	KMHGMDMCZTVGQN-ZIAGYGMSSA-N	0	3	323.318	2.944	20	30		DFEDHN
C#CCCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000374818727	428758697	/nfs/dbraw/zinc/75/86/97/428758697.db2.gz	KLHROEQORGVBMK-HNNXBMFYSA-N	0	3	314.433	2.741	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1	ZINC000358997669	428767124	/nfs/dbraw/zinc/76/71/24/428767124.db2.gz	YFYICSGZPVTCLK-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C[C@@H](C)NC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C	ZINC000362494511	428768370	/nfs/dbraw/zinc/76/83/70/428768370.db2.gz	MGZRQSFGTHVKLK-OAHLLOKOSA-N	0	3	316.449	2.833	20	30		DFEDHN
COc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1OCCCC#N	ZINC000348545025	428781247	/nfs/dbraw/zinc/78/12/47/428781247.db2.gz	CHVDHZQJEKRLJW-HOTGVXAUSA-N	0	3	318.417	2.723	20	30		DFEDHN
CCCN(C[C@@H]1CCCCO1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000411362239	428781816	/nfs/dbraw/zinc/78/18/16/428781816.db2.gz	BGZUPNMXRYPDGZ-RYRKJORJSA-N	0	3	323.481	2.710	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1	ZINC000348547973	428784179	/nfs/dbraw/zinc/78/41/79/428784179.db2.gz	PNHCVFWBPZNHQA-WMZOPIPTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000362656523	428797084	/nfs/dbraw/zinc/79/70/84/428797084.db2.gz	RGXBDOSWOPPHGV-WMLDXEAASA-N	0	3	317.433	2.706	20	30		DFEDHN
CC[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(C#N)cc1	ZINC000353999282	428812938	/nfs/dbraw/zinc/81/29/38/428812938.db2.gz	ZUXYXYTVVWJARC-MRXNPFEDSA-N	0	3	320.458	2.956	20	30		DFEDHN
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCN(CC)CC1	ZINC000359116792	428825082	/nfs/dbraw/zinc/82/50/82/428825082.db2.gz	PSIIDAGVFZXIPZ-OAHLLOKOSA-N	0	3	305.470	2.900	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000411637994	428831934	/nfs/dbraw/zinc/83/19/34/428831934.db2.gz	GSJQDSSMJYJGKZ-INIZCTEOSA-N	0	3	303.450	2.762	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1cccc(SC)c1	ZINC000411638819	428832005	/nfs/dbraw/zinc/83/20/05/428832005.db2.gz	HXIXAWDPWYIUSQ-UHFFFAOYSA-N	0	3	321.490	2.787	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N1CCC[C@H]2CCCC[C@H]21	ZINC000411648124	428834812	/nfs/dbraw/zinc/83/48/12/428834812.db2.gz	ZLEMNHVWMUDENJ-QZTJIDSGSA-N	0	3	321.509	2.607	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N3CCC[C@H](N4CCCC4)C3)CC2)cc1	ZINC000375276386	428840147	/nfs/dbraw/zinc/84/01/47/428840147.db2.gz	SFSGZLIPHNLRCN-SFHVURJKSA-N	0	3	323.440	2.677	20	30		DFEDHN
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000411689219	428840504	/nfs/dbraw/zinc/84/05/04/428840504.db2.gz	CJAUARDAGNBCKG-KUHUBIRLSA-N	0	3	319.408	2.839	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@H]3CCN(CC)C[C@@H]32)cc1	ZINC000354142124	428882554	/nfs/dbraw/zinc/88/25/54/428882554.db2.gz	PDJHTOOUQNVEJS-OALUTQOASA-N	0	3	316.445	2.546	20	30		DFEDHN
C=CC(C)(C)CN[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000419230726	428929088	/nfs/dbraw/zinc/92/90/88/428929088.db2.gz	QJNVRHXAEGBBRR-GFCCVEGCSA-N	0	3	311.223	2.777	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1	ZINC000375641579	428931250	/nfs/dbraw/zinc/93/12/50/428931250.db2.gz	NYXWTIJFXHKHFT-CYBMUJFWSA-N	0	3	317.820	2.958	20	30		DFEDHN
CC[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F	ZINC000419326547	428931450	/nfs/dbraw/zinc/93/14/50/428931450.db2.gz	YGNVTCJUZDPPGE-ZWNOBZJWSA-N	0	3	313.323	2.653	20	30		DFEDHN
Cc1nnc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)s1	ZINC000419840495	428940488	/nfs/dbraw/zinc/94/04/88/428940488.db2.gz	SAZWAJAXTNIUPM-MRVPVSSYSA-N	0	3	321.431	2.846	20	30		DFEDHN
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1ccc(C#N)cc1F	ZINC000363587277	428947921	/nfs/dbraw/zinc/94/79/21/428947921.db2.gz	MNTYZBZKYCFBGB-UKPHBRMFSA-N	0	3	317.408	2.999	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000375715522	428950974	/nfs/dbraw/zinc/95/09/74/428950974.db2.gz	DGOOLIMZWXNQCZ-HKUYNNGSSA-N	0	3	313.445	2.955	20	30		DFEDHN
CCCCCCCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1	ZINC000363639406	428960156	/nfs/dbraw/zinc/96/01/56/428960156.db2.gz	XPYFNQWHDQWJBS-KRWDZBQOSA-N	0	3	309.498	2.585	20	30		DFEDHN
C=CCc1cc(CNCC[C@H](O)C(F)(F)F)cc(OC)c1O	ZINC000349321366	428962721	/nfs/dbraw/zinc/96/27/21/428962721.db2.gz	XCMOPAWXOIJOTO-ZDUSSCGKSA-N	0	3	319.323	2.532	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N1CCCN(CC2CCC2)CC1)OCC	ZINC000412318403	429014912	/nfs/dbraw/zinc/01/49/12/429014912.db2.gz	ZDKFJYHDQSHMRL-QGZVFWFLSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCCN(CC3CCC3)CC2)CC12CCCC2	ZINC000412320637	429017312	/nfs/dbraw/zinc/01/73/12/429017312.db2.gz	WQXWDUYZLYOSQO-LJQANCHMSA-N	0	3	315.461	2.795	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000412339540	429019323	/nfs/dbraw/zinc/01/93/23/429019323.db2.gz	PSJKANBITNXMJW-GRGSLBFTSA-N	0	3	323.440	2.747	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)c1ncc(C#N)cc1Cl	ZINC000433429778	429032945	/nfs/dbraw/zinc/03/29/45/429032945.db2.gz	BSBADPKBPYGWIS-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C=CCNC(=O)CN(CCC)[C@@H]1C[C@H](OCC)C12CCCC2	ZINC000354417653	428981251	/nfs/dbraw/zinc/98/12/51/428981251.db2.gz	BLUFOOZMQHHSCA-CVEARBPZSA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@@H](N[C@H]1COCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451806447	428982051	/nfs/dbraw/zinc/98/20/51/428982051.db2.gz	DRMYDMJPUQIWSL-YGRLFVJLSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)N1C	ZINC000354453264	428984903	/nfs/dbraw/zinc/98/49/03/428984903.db2.gz	VAIKPAZYGXDNCQ-HZPDHXFCSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc(OC)c1O	ZINC000354434897	428985381	/nfs/dbraw/zinc/98/53/81/428985381.db2.gz	BASQYMMVDAUBGD-OKILXGFUSA-N	0	3	304.434	2.654	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)Cc2ccc(C#N)o2)c1	ZINC000349424096	428985406	/nfs/dbraw/zinc/98/54/06/428985406.db2.gz	YSSRAJBDHLTUGR-UHFFFAOYSA-N	0	3	313.401	2.724	20	30		DFEDHN
CCn1cc(Br)cc1C(=O)C(C#N)c1ccncn1	ZINC000354464800	428987738	/nfs/dbraw/zinc/98/77/38/428987738.db2.gz	JHGZWYUVUCIVKH-SNVBAGLBSA-N	0	3	319.162	2.551	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)cc1OC(F)F	ZINC000354465910	428987850	/nfs/dbraw/zinc/98/78/50/428987850.db2.gz	LLZGQICNUUFROD-SNVBAGLBSA-N	0	3	319.267	2.577	20	30		DFEDHN
COc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1OCCCC#N	ZINC000421365719	428991398	/nfs/dbraw/zinc/99/13/98/428991398.db2.gz	CAIHFYXGIBOISG-GDBMZVCRSA-N	0	3	318.417	2.723	20	30		DFEDHN
CC#CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000354713400	429003416	/nfs/dbraw/zinc/00/34/16/429003416.db2.gz	IREBJPWMGOLCJI-MRXNPFEDSA-N	0	3	320.383	2.673	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1	ZINC000354726077	429007878	/nfs/dbraw/zinc/00/78/78/429007878.db2.gz	IQZLYYBFXHHZCK-OALUTQOASA-N	0	3	317.429	2.661	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCc2cc(OC(F)F)ccc21	ZINC000424102276	429091736	/nfs/dbraw/zinc/09/17/36/429091736.db2.gz	OKEFTYDMKVAPFD-ZDUSSCGKSA-N	0	3	323.343	2.588	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CCC1	ZINC000424111734	429092800	/nfs/dbraw/zinc/09/28/00/429092800.db2.gz	HGKQPHTZDCYYFN-OAHLLOKOSA-N	0	3	319.836	2.899	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1	ZINC000452048815	429045430	/nfs/dbraw/zinc/04/54/30/429045430.db2.gz	RDSJZGJWIOIIPU-LWLHJNNISA-N	0	3	317.477	2.797	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CO)CC2CCC2)cc1OC	ZINC000355531936	429050406	/nfs/dbraw/zinc/05/04/06/429050406.db2.gz	NHSWGWAJGVHAOX-MRXNPFEDSA-N	0	3	305.418	2.901	20	30		DFEDHN
C=C(C)[C@H](N[C@@H](C)C[C@@H]1COCCN1)c1ccc(F)c(F)c1	ZINC000423049360	429054194	/nfs/dbraw/zinc/05/41/94/429054194.db2.gz	JRXAQSTYSFTXQK-QEORTHHSSA-N	0	3	310.388	2.939	20	30		DFEDHN
C[C@@H](Nc1ccc(N2CCNCC2)cn1)c1ccc(C#N)cc1	ZINC000423223559	429054832	/nfs/dbraw/zinc/05/48/32/429054832.db2.gz	AMBXCJMWIZNQJJ-CQSZACIVSA-N	0	3	307.401	2.536	20	30		DFEDHN
Cc1nsc(N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1C#N	ZINC000376172760	429069893	/nfs/dbraw/zinc/06/98/93/429069893.db2.gz	NOOBJLGNCUYWAX-UXIGCNINSA-N	0	3	320.462	2.625	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1	ZINC000424483290	429145274	/nfs/dbraw/zinc/14/52/74/429145274.db2.gz	XDPYTWNKLJODIT-MORSLUCNSA-N	0	3	322.412	2.831	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)s1	ZINC000487269881	429145907	/nfs/dbraw/zinc/14/59/07/429145907.db2.gz	IRPDLYBCDIHTTQ-ZDUSSCGKSA-N	0	3	303.431	2.710	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1	ZINC000453360446	429148609	/nfs/dbraw/zinc/14/86/09/429148609.db2.gz	OBEFJAATPRMCOO-SFFUCWETSA-N	0	3	303.402	2.545	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1OCC(=O)OC	ZINC000453380070	429148811	/nfs/dbraw/zinc/14/88/11/429148811.db2.gz	ZNJIXBMRESWTCG-IMJJTQAJSA-N	0	3	319.401	2.623	20	30		DFEDHN
C=CCn1c([C@@H](C)CC)nnc1N1CCCN(C(C)C)CC1	ZINC000453427826	429150188	/nfs/dbraw/zinc/15/01/88/429150188.db2.gz	XGOQBJOIBZOMTL-HNNXBMFYSA-N	0	3	305.470	2.898	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453439184	429150816	/nfs/dbraw/zinc/15/08/16/429150816.db2.gz	JYWWWWVXQQONEU-HNNXBMFYSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(-c2cccnc2)cc1	ZINC000424158555	429103165	/nfs/dbraw/zinc/10/31/65/429103165.db2.gz	TVAAOKDUPPXOLH-RDTXWAMCSA-N	0	3	322.412	2.947	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1ncc(Br)s1	ZINC000424170802	429104033	/nfs/dbraw/zinc/10/40/33/429104033.db2.gz	JQWHGYUELGSMGE-IUCAKERBSA-N	0	3	303.225	2.586	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC1(Cc2ccccc2)CCCC1	ZINC000424172206	429105420	/nfs/dbraw/zinc/10/54/20/429105420.db2.gz	NNPLSUDUCBWIEA-QGZVFWFLSA-N	0	3	313.445	2.927	20	30		DFEDHN
Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@H](N)CCCC#N)C2)c1	ZINC000424186270	429106454	/nfs/dbraw/zinc/10/64/54/429106454.db2.gz	RMKVBDGUYIPYSZ-WBVHZDCISA-N	0	3	321.371	2.552	20	30		DFEDHN
CCN1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000412870170	429110530	/nfs/dbraw/zinc/11/05/30/429110530.db2.gz	FLYSCXLORRGALJ-OAHLLOKOSA-N	0	3	324.428	2.769	20	30		DFEDHN
C=CCn1cc(CN[C@H](Cc2ccccc2OC)C(C)C)nn1	ZINC000424297694	429120982	/nfs/dbraw/zinc/12/09/82/429120982.db2.gz	RCWWZBOUBLASFL-QGZVFWFLSA-N	0	3	314.433	2.830	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@@H](c1cnn(C)c1)c1cccc(F)c1	ZINC000424290055	429121867	/nfs/dbraw/zinc/12/18/67/429121867.db2.gz	AVOVUAAFHABOCK-JCGIZDLHSA-N	0	3	315.392	2.829	20	30		DFEDHN
C=CCn1cc(CN[C@@H](Cc2ccc(F)cc2)C(C)C)nn1	ZINC000424300023	429122661	/nfs/dbraw/zinc/12/26/61/429122661.db2.gz	WRHLTUNBOMNLGJ-KRWDZBQOSA-N	0	3	302.397	2.960	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(C#N)cc1	ZINC000363866205	429130802	/nfs/dbraw/zinc/13/08/02/429130802.db2.gz	ZIGOYOKXPSLBIH-KBXCAEBGSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1cccnc1N1CCCN(C[C@@H]2Cc3ccccc32)CC1	ZINC000376559863	429134846	/nfs/dbraw/zinc/13/48/46/429134846.db2.gz	ZZIZSVGMEZIUPN-SFHVURJKSA-N	0	3	318.424	2.805	20	30		DFEDHN
C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1[C@H](C)CC[C@@H]1C	ZINC000413094984	429134855	/nfs/dbraw/zinc/13/48/55/429134855.db2.gz	LYKMSRDPSMVZHU-IATRGZMQSA-N	0	3	303.381	2.768	20	30		DFEDHN
C=C(CC)CNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000454130710	429160996	/nfs/dbraw/zinc/16/09/96/429160996.db2.gz	BPOXZDZISNCRKW-UHFFFAOYSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CCNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000454262325	429163999	/nfs/dbraw/zinc/16/39/99/429163999.db2.gz	JRGJHELBSDBVBY-UHFFFAOYSA-N	0	3	315.461	2.959	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cc(C)cs2)CC1	ZINC000454458127	429166146	/nfs/dbraw/zinc/16/61/46/429166146.db2.gz	FPXLCPYSFYUJNC-UHFFFAOYSA-N	0	3	307.463	2.896	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000454788562	429172443	/nfs/dbraw/zinc/17/24/43/429172443.db2.gz	BEHWALYCFLSYEN-NVXWUHKLSA-N	0	3	301.434	2.772	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1C#N	ZINC000487915093	429173832	/nfs/dbraw/zinc/17/38/32/429173832.db2.gz	PJWUXPKWGCISCZ-KRWDZBQOSA-N	0	3	313.445	2.851	20	30		DFEDHN
Cc1cc(CN(CCC(N)=O)Cc2ccccc2)ccc1C#N	ZINC000488229859	429178503	/nfs/dbraw/zinc/17/85/03/429178503.db2.gz	HTEQQPKLUNDESJ-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000455521300	429190250	/nfs/dbraw/zinc/19/02/50/429190250.db2.gz	KLMKLRVETXGSFC-DOTOQJQBSA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C	ZINC000455749202	429207234	/nfs/dbraw/zinc/20/72/34/429207234.db2.gz	DIERORSOPFHXQA-PBHICJAKSA-N	0	3	313.445	2.726	20	30		DFEDHN
CC#CCCNC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000442604050	429232754	/nfs/dbraw/zinc/23/27/54/429232754.db2.gz	YJRXPJHJMVHAIG-UHFFFAOYSA-N	0	3	305.466	2.745	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455917936	429225156	/nfs/dbraw/zinc/22/51/56/429225156.db2.gz	KNRUSVZMCFFANU-HUUCEWRRSA-N	0	3	314.433	2.995	20	30		DFEDHN
COc1cc(CNC[C@@]2(O)CCCC(C)(C)C2)ccc1C#N	ZINC000440640725	429226163	/nfs/dbraw/zinc/22/61/63/429226163.db2.gz	UBQBUQSHWOOGKK-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N[C@@H](C)CN2CCCCC2)c1	ZINC000456000940	429230261	/nfs/dbraw/zinc/23/02/61/429230261.db2.gz	LJLOMAZBIRRJQY-AWEZNQCLSA-N	0	3	300.406	2.863	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCOCC1	ZINC000424863056	429200384	/nfs/dbraw/zinc/20/03/84/429200384.db2.gz	ZUSIEDCGHAGEBP-OAHLLOKOSA-N	0	3	308.466	2.596	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)c(Cl)c1	ZINC000455700369	429200975	/nfs/dbraw/zinc/20/09/75/429200975.db2.gz	IEOMFMKCLMFTJZ-CYBMUJFWSA-N	0	3	318.808	2.718	20	30		DFEDHN
C=CCN1CCC(NC(=O)CC2CC(OC(C)(C)C)C2)CC1	ZINC000488850972	429202657	/nfs/dbraw/zinc/20/26/57/429202657.db2.gz	IFKOBNAQQPXMEL-UHFFFAOYSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(CCC(C)C)c2C)CC1	ZINC000441820640	429232122	/nfs/dbraw/zinc/23/21/22/429232122.db2.gz	INHAHNBYYCEDTG-UHFFFAOYSA-N	0	3	318.465	2.618	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000442676085	429235408	/nfs/dbraw/zinc/23/54/08/429235408.db2.gz	GNWQFODYDQASJY-QAPCUYQASA-N	0	3	311.429	2.954	20	30		DFEDHN
COc1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1C#N	ZINC000442886105	429238136	/nfs/dbraw/zinc/23/81/36/429238136.db2.gz	PYTYWIQLCCOGOY-SFHVURJKSA-N	0	3	300.402	2.959	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN(C)[C@H]2CC2(C)C)c(OC)c1	ZINC000489416834	429240876	/nfs/dbraw/zinc/24/08/76/429240876.db2.gz	WWWWZQCBEXQTGY-QAPCUYQASA-N	0	3	319.445	2.894	20	30		DFEDHN
C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCOCCC#N	ZINC000495660869	429241279	/nfs/dbraw/zinc/24/12/79/429241279.db2.gz	DKHMNBVWZREHMW-CQSZACIVSA-N	0	3	317.389	2.566	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COCc1ccc(OC)cc1	ZINC000489439691	429243083	/nfs/dbraw/zinc/24/30/83/429243083.db2.gz	ZLXOQBRQONJUTK-IAGOWNOFSA-N	0	3	305.418	2.613	20	30		DFEDHN
C=C[C@H]1CCCCN1CCC(=O)NC(=O)Nc1ccccc1	ZINC000489460129	429245013	/nfs/dbraw/zinc/24/50/13/429245013.db2.gz	GQXGSJCZHRPNTQ-HNNXBMFYSA-N	0	3	301.390	2.765	20	30		DFEDHN
Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)c(C#N)cn1	ZINC000425212269	429247174	/nfs/dbraw/zinc/24/71/74/429247174.db2.gz	ZQZXZIUNSJEBBK-HNNXBMFYSA-N	0	3	306.413	2.542	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2cccnc2C#N)CC1	ZINC000425246681	429251852	/nfs/dbraw/zinc/25/18/52/429251852.db2.gz	YLCDAWLHHCBTLM-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)sn1)C(C)C	ZINC000444226125	429268003	/nfs/dbraw/zinc/26/80/03/429268003.db2.gz	WWOGVZLBNAQYPC-OAHLLOKOSA-N	0	3	307.463	2.880	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)CCCC1(C)C	ZINC000444773639	429277112	/nfs/dbraw/zinc/27/71/12/429277112.db2.gz	FDWQDVQVDCHBDV-OAGGEKHMSA-N	0	3	308.466	2.689	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000444899987	429278407	/nfs/dbraw/zinc/27/84/07/429278407.db2.gz	RGQIZALJCFWJPO-UHFFFAOYSA-N	0	3	318.396	2.941	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@H]1c2ccccc2CC[C@@H]1CO	ZINC000365227100	429282819	/nfs/dbraw/zinc/28/28/19/429282819.db2.gz	XQYYSVOLUZMZCH-YLJYHZDGSA-N	0	3	322.408	2.823	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000448814259	429318502	/nfs/dbraw/zinc/31/85/02/429318502.db2.gz	VDUHWMYQKQCPBZ-QGZVFWFLSA-N	0	3	310.401	2.536	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCc3nccn3C2)c1Cl	ZINC000365485528	429328652	/nfs/dbraw/zinc/32/86/52/429328652.db2.gz	VBRFWZUAULMQMB-NSHDSACASA-N	0	3	304.756	2.652	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](CC(F)(F)F)c1ccccc1C	ZINC000491164467	429329949	/nfs/dbraw/zinc/32/99/49/429329949.db2.gz	CALINCVKOHIKIM-AWEZNQCLSA-N	0	3	312.335	2.718	20	30		DFEDHN
CC(C)(C#N)CC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000365494634	429330096	/nfs/dbraw/zinc/33/00/96/429330096.db2.gz	WSEJRCQNOKKSKB-UHFFFAOYSA-N	0	3	323.506	2.794	20	30		DFEDHN
CCn1cc([C@H](C)NC(=O)C(C#N)CCc2ccccc2)cn1	ZINC000456702229	429340417	/nfs/dbraw/zinc/34/04/17/429340417.db2.gz	XZXGPLFFJGWUMI-HOCLYGCPSA-N	0	3	310.401	2.853	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1	ZINC000490604996	429296775	/nfs/dbraw/zinc/29/67/75/429296775.db2.gz	OYUALLKTWOIGIN-OAHLLOKOSA-N	0	3	316.449	2.774	20	30		DFEDHN
C[C@H](SCCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000446565455	429299263	/nfs/dbraw/zinc/29/92/63/429299263.db2.gz	NUOZSMULMPXTIT-JTQLQIEISA-N	0	3	311.838	2.833	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC1	ZINC000446306236	429299501	/nfs/dbraw/zinc/29/95/01/429299501.db2.gz	ZQIRIWGYFDOOHG-YPMHNXCESA-N	0	3	321.387	2.913	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)CC1	ZINC000425448901	429299885	/nfs/dbraw/zinc/29/98/85/429299885.db2.gz	IZPCCNIIMRUSGP-AEFFLSMTSA-N	0	3	317.408	2.573	20	30		DFEDHN
C#CCN(C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C1CCCCC1	ZINC000490779441	429305160	/nfs/dbraw/zinc/30/51/60/429305160.db2.gz	WDGGENIYKFPXHF-LSDHHAIUSA-N	0	3	303.450	2.589	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000448002543	429308350	/nfs/dbraw/zinc/30/83/50/429308350.db2.gz	XZVBAATVTCUPFI-WBVHZDCISA-N	0	3	301.434	2.772	20	30		DFEDHN
C=C(C)CN1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1	ZINC000496155247	429311238	/nfs/dbraw/zinc/31/12/38/429311238.db2.gz	ARVMFVPTISUBKA-CVEARBPZSA-N	0	3	324.465	2.957	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1CCO	ZINC000448681001	429315142	/nfs/dbraw/zinc/31/51/42/429315142.db2.gz	NNAWXJPYRQMIKD-IAGOWNOFSA-N	0	3	300.402	2.522	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2cccc(F)c2C#N)C1	ZINC000496888611	429317460	/nfs/dbraw/zinc/31/74/60/429317460.db2.gz	BDUZAMSOOBZIPY-JSGCOSHPSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1	ZINC000448773809	429317404	/nfs/dbraw/zinc/31/74/04/429317404.db2.gz	WLADYRPAGSQXCM-CRAIPNDOSA-N	0	3	303.450	2.651	20	30		DFEDHN
C#C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(Cl)cc1	ZINC000491697002	429392996	/nfs/dbraw/zinc/39/29/96/429392996.db2.gz	QOLLBINBFPDMFG-INIZCTEOSA-N	0	3	317.820	2.504	20	30		DFEDHN
C#C[C@@H](NC(=O)N[C@@H]1CCN(CC)C1)c1ccc(Cl)cc1F	ZINC000491703719	429393435	/nfs/dbraw/zinc/39/34/35/429393435.db2.gz	JWHUCLLEGMVHMX-IUODEOHRSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000491704547	429394658	/nfs/dbraw/zinc/39/46/58/429394658.db2.gz	HSUOOBLPJGJHQM-ZIAGYGMSSA-N	0	3	305.447	2.596	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000491718890	429397762	/nfs/dbraw/zinc/39/77/62/429397762.db2.gz	WXTXVHKPFUTOHR-QAPCUYQASA-N	0	3	313.445	2.560	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1ncc(-c2ccccc2)n1C	ZINC000491730056	429398643	/nfs/dbraw/zinc/39/86/43/429398643.db2.gz	HBIYNQYFOURRIE-INIZCTEOSA-N	0	3	310.445	2.693	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1	ZINC000491730875	429398840	/nfs/dbraw/zinc/39/88/40/429398840.db2.gz	JVIRRBSLESJTBG-ROUUACIJSA-N	0	3	302.462	2.664	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000457093934	429398980	/nfs/dbraw/zinc/39/89/80/429398980.db2.gz	OLEBRSQCWHVTDL-QGZVFWFLSA-N	0	3	311.429	2.796	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000457101013	429401275	/nfs/dbraw/zinc/40/12/75/429401275.db2.gz	XLSOFBIWUSRRKR-CYBMUJFWSA-N	0	3	305.809	2.766	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)[C@H](C#N)CCc2ccccc2)C1	ZINC000457100223	429401336	/nfs/dbraw/zinc/40/13/36/429401336.db2.gz	WGMZFYGQVSYKAA-ROUUACIJSA-N	0	3	313.445	2.700	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2c(C)cccc2Cl)CC1	ZINC000491786212	429409200	/nfs/dbraw/zinc/40/92/00/429409200.db2.gz	UASAMQNVNVZLSF-UHFFFAOYSA-N	0	3	304.821	2.610	20	30		DFEDHN
C=C(C)COCCNCc1cn(C)nc1-c1ccc(F)cc1	ZINC000449190097	429354985	/nfs/dbraw/zinc/35/49/85/429354985.db2.gz	QFNKQVWKCIUBBV-UHFFFAOYSA-N	0	3	303.381	2.909	20	30		DFEDHN
C#CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1	ZINC000491385351	429355039	/nfs/dbraw/zinc/35/50/39/429355039.db2.gz	RCTGCYTWMQBMNK-WBVHZDCISA-N	0	3	311.429	2.629	20	30		DFEDHN
COc1ccc([C@H](CCC#N)N[C@H]2CCc3c[nH]nc3C2)cc1	ZINC000365735479	429366142	/nfs/dbraw/zinc/36/61/42/429366142.db2.gz	LIHRNUSIVAKOPS-RDJZCZTQSA-N	0	3	310.401	2.910	20	30		DFEDHN
N#Cc1ccc(/C=C\C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000491560308	429375694	/nfs/dbraw/zinc/37/56/94/429375694.db2.gz	DWZIWBZEPDIBNR-CNZFZVQHSA-N	0	3	309.413	2.658	20	30		DFEDHN
C[C@@H](Cc1ccccc1)CN1CCN(c2cnccc2C#N)CC1	ZINC000515336369	429376056	/nfs/dbraw/zinc/37/60/56/429376056.db2.gz	ASXCODXFYSGWGP-KRWDZBQOSA-N	0	3	320.440	2.954	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21	ZINC000515605932	429377894	/nfs/dbraw/zinc/37/78/94/429377894.db2.gz	KRHROQISJHQLEQ-BZSNNMDCSA-N	0	3	324.424	2.786	20	30		DFEDHN
C=CCn1cc(CNc2c(C)c(CC)nc3ccccc32)nn1	ZINC000516646445	429382284	/nfs/dbraw/zinc/38/22/84/429382284.db2.gz	ZWGMBZJPFFKESF-UHFFFAOYSA-N	0	3	307.401	2.917	20	30		DFEDHN
COc1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)ccc1C#N	ZINC000449553071	429447747	/nfs/dbraw/zinc/44/77/47/429447747.db2.gz	KVRSRFIXTXNNAI-PVAVHDDUSA-N	0	3	300.402	2.550	20	30		DFEDHN
COc1ccc(CN[C@H]2COCC2(C)C)cc1OCCCC#N	ZINC000449622742	429462469	/nfs/dbraw/zinc/46/24/69/429462469.db2.gz	FILSSJUUXVLBEH-KRWDZBQOSA-N	0	3	318.417	2.892	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1F	ZINC000519657123	429474982	/nfs/dbraw/zinc/47/49/82/429474982.db2.gz	UFVNAKQZBGEGKD-SJCJKPOMSA-N	0	3	309.381	2.914	20	30		DFEDHN
CC(C)OCCOC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000449723082	429489477	/nfs/dbraw/zinc/48/94/77/429489477.db2.gz	FJHNYTIYNPKCAJ-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000519885343	429497444	/nfs/dbraw/zinc/49/74/44/429497444.db2.gz	HTUTUHBZYPQWJL-UHFFFAOYSA-N	0	3	313.445	2.824	20	30		DFEDHN
C=CCNC(=O)CN(CCc1ccccc1F)C1CCCC1	ZINC000519904390	429498349	/nfs/dbraw/zinc/49/83/49/429498349.db2.gz	IMMFWMMJQSIQCT-UHFFFAOYSA-N	0	3	304.409	2.915	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](c3nccn3C)C2)ccc1C#N	ZINC000367024811	429559618	/nfs/dbraw/zinc/55/96/18/429559618.db2.gz	SXZXOXLLUSXVQX-MRXNPFEDSA-N	0	3	310.401	2.680	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2ccc(C#N)o2)N(C)C)cc1	ZINC000429826765	429633707	/nfs/dbraw/zinc/63/37/07/429633707.db2.gz	PQIZQZWOWOJHIK-INIZCTEOSA-N	0	3	311.385	2.746	20	30		DFEDHN
Cc1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)ncc1C#N	ZINC000458271048	429611885	/nfs/dbraw/zinc/61/18/85/429611885.db2.gz	UCASESUKXRABCJ-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000493021470	429670931	/nfs/dbraw/zinc/67/09/31/429670931.db2.gz	NBIAKFKPBSBAQA-GTBONMDNSA-N	0	3	309.413	2.514	20	30		DFEDHN
CC[C@](C)(O)CN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000367583628	429678731	/nfs/dbraw/zinc/67/87/31/429678731.db2.gz	DSNARUXSXGYAKH-KRWDZBQOSA-N	0	3	306.381	2.702	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)CCn1cc(Cl)cn1	ZINC000459494317	429698992	/nfs/dbraw/zinc/69/89/92/429698992.db2.gz	AMMIVUMCOQVWRL-UHFFFAOYSA-N	0	3	318.808	2.557	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000450762462	429693115	/nfs/dbraw/zinc/69/31/15/429693115.db2.gz	PQABTSJQXVEWRB-LSBZLQRGSA-N	0	3	311.429	2.563	20	30		DFEDHN
N#CC1(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CCC1	ZINC000527127698	429726572	/nfs/dbraw/zinc/72/65/72/429726572.db2.gz	SETXAUSSCHVJOZ-KRWDZBQOSA-N	0	3	315.392	2.819	20	30		DFEDHN
CC#CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000483427884	429734376	/nfs/dbraw/zinc/73/43/76/429734376.db2.gz	SXSYECXGEOLSGW-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC#CCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000483418571	429735580	/nfs/dbraw/zinc/73/55/80/429735580.db2.gz	OHLWDAIWSXFTLE-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
CC(C)(CCC#N)CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21	ZINC000367904646	429740896	/nfs/dbraw/zinc/74/08/96/429740896.db2.gz	QIJFVQRSQDIGNK-CQSZACIVSA-N	0	3	324.421	2.964	20	30		DFEDHN
CC(C)C[C@H](CO)N(C)C(=O)C(C#N)CCc1ccccc1	ZINC000450991733	429745281	/nfs/dbraw/zinc/74/52/81/429745281.db2.gz	XFKQFCFMDUPVFP-DLBZAZTESA-N	0	3	302.418	2.624	20	30		DFEDHN
COC[C@@]1(NCc2ccc(C#N)cc2)COc2ccccc2C1	ZINC000527802912	429801247	/nfs/dbraw/zinc/80/12/47/429801247.db2.gz	ZLIUPNBOTFMTFO-LJQANCHMSA-N	0	3	308.381	2.668	20	30		DFEDHN
COC[C@]1(NCc2ccc(C#N)cc2)COc2ccccc2C1	ZINC000527802910	429801969	/nfs/dbraw/zinc/80/19/69/429801969.db2.gz	ZLIUPNBOTFMTFO-IBGZPJMESA-N	0	3	308.381	2.668	20	30		DFEDHN
COC[C@]1(NCc2cccc(C#N)c2)COc2ccccc2C1	ZINC000527802423	429802334	/nfs/dbraw/zinc/80/23/34/429802334.db2.gz	WMUDMMGNOXPVEW-IBGZPJMESA-N	0	3	308.381	2.668	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(C[C@H]3CCC(F)(F)C3)C2)nc1	ZINC000451053537	429758675	/nfs/dbraw/zinc/75/86/75/429758675.db2.gz	DTOIBGIAIOURMD-JSGCOSHPSA-N	0	3	307.344	2.842	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2cnn(C)c2)n1	ZINC000527703339	429782169	/nfs/dbraw/zinc/78/21/69/429782169.db2.gz	NPPYUVCBRQZSLD-WFASDCNBSA-N	0	3	318.446	2.614	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@@](C)(COC)C1	ZINC000451188593	429782937	/nfs/dbraw/zinc/78/29/37/429782937.db2.gz	HSADXZRWJFZCOQ-IEBWSBKVSA-N	0	3	319.445	2.513	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000368395987	429842181	/nfs/dbraw/zinc/84/21/81/429842181.db2.gz	XYVBUTZSLRSOPM-KRWDZBQOSA-N	0	3	321.509	2.606	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cscc1C#N	ZINC000432877904	429847593	/nfs/dbraw/zinc/84/75/93/429847593.db2.gz	OFPLUCSVSRZRNI-FRRDWIJNSA-N	0	3	305.447	2.716	20	30		DFEDHN
CC#CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000368443355	429848886	/nfs/dbraw/zinc/84/88/86/429848886.db2.gz	WHXOVEGZGGOTJC-HOCLYGCPSA-N	0	3	319.836	2.655	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCCO[C@H]3CCC[C@@H]32)c1	ZINC000368452271	429850884	/nfs/dbraw/zinc/85/08/84/429850884.db2.gz	ZIFCCKFAIADTCE-ROUUACIJSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(=O)N1CCN(CCCSCC#N)CC12CCCCC2	ZINC000368469142	429853309	/nfs/dbraw/zinc/85/33/09/429853309.db2.gz	YBGTUSOIMBSMKW-UHFFFAOYSA-N	0	3	309.479	2.500	20	30		DFEDHN
Cn1cc(CN2CCCC[C@@]2(C)CO)c(-c2ccc(C#N)cc2)n1	ZINC000368495839	429857556	/nfs/dbraw/zinc/85/75/56/429857556.db2.gz	KWLGCGAFFSRYFR-IBGZPJMESA-N	0	3	324.428	2.696	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(Cl)ccc1C	ZINC000451604564	429860454	/nfs/dbraw/zinc/86/04/54/429860454.db2.gz	HNMLYQSAFXKGIN-KYOSRNDESA-N	0	3	308.809	2.909	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1	ZINC000451601580	429860638	/nfs/dbraw/zinc/86/06/38/429860638.db2.gz	AVIGFWABBVGCLB-JFTQMJAMSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O	ZINC000451608629	429861118	/nfs/dbraw/zinc/86/11/18/429861118.db2.gz	OMUQSYHFSQYTSS-ILXRZTDVSA-N	0	3	324.783	2.518	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1	ZINC000494374686	429869756	/nfs/dbraw/zinc/86/97/56/429869756.db2.gz	MHOUBCKOJTZRDS-VBQJREDUSA-N	0	3	312.417	2.752	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCSC[C@H]1C1CC1	ZINC000451646068	429866859	/nfs/dbraw/zinc/86/68/59/429866859.db2.gz	HERVGNWKVVASGL-HNNXBMFYSA-N	0	3	318.442	2.773	20	30		DFEDHN
CCc1csc([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)n1	ZINC000528366244	429879497	/nfs/dbraw/zinc/87/94/97/429879497.db2.gz	ZMPDNXXIKQDQHP-HIFRSBDPSA-N	0	3	319.474	2.940	20	30		DFEDHN
Cc1cc(N2CCC[C@H](NCc3cccc(C#N)c3)C2)nc(C)n1	ZINC000368669892	429885183	/nfs/dbraw/zinc/88/51/83/429885183.db2.gz	BRNMSVCWYYFYBH-SFHVURJKSA-N	0	3	321.428	2.724	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1	ZINC000528399406	429885547	/nfs/dbraw/zinc/88/55/47/429885547.db2.gz	WTTWYOUHJQSICD-ZTNFWEORSA-N	0	3	322.408	2.991	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1	ZINC000528447344	429889882	/nfs/dbraw/zinc/88/98/82/429889882.db2.gz	GQMOYXIRBFQCEL-HNNXBMFYSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccccc2C)CC1	ZINC000528450492	429890012	/nfs/dbraw/zinc/89/00/12/429890012.db2.gz	TZQCBLUHYCRUDX-INIZCTEOSA-N	0	3	300.446	2.940	20	30		DFEDHN
N#CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1	ZINC000368823321	429896452	/nfs/dbraw/zinc/89/64/52/429896452.db2.gz	OEVALPFGRNBQGC-OAHLLOKOSA-N	0	3	315.392	2.600	20	30		DFEDHN
N#Cc1nccnc1NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000368877861	429899802	/nfs/dbraw/zinc/89/98/02/429899802.db2.gz	XNNSGCKSYNJVPH-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(C)(N2CCOCC2)CC1	ZINC000528726309	429910072	/nfs/dbraw/zinc/91/00/72/429910072.db2.gz	GGOXFANZECKEJY-INIZCTEOSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000528755026	429913268	/nfs/dbraw/zinc/91/32/68/429913268.db2.gz	GCAIJDDLZAKNEC-ZAQLIGFBSA-N	0	3	321.808	2.552	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000528755387	429913370	/nfs/dbraw/zinc/91/33/70/429913370.db2.gz	GZQMDOPKZZTIOV-ZAQLIGFBSA-N	0	3	321.808	2.552	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000528755383	429913507	/nfs/dbraw/zinc/91/35/07/429913507.db2.gz	GZQMDOPKZZTIOV-DJQAVVSRSA-N	0	3	321.808	2.552	20	30		DFEDHN
N#CC[C@H](CC(=O)N1CCCN(C2CC2)CC1)c1ccccc1	ZINC000369129051	429914669	/nfs/dbraw/zinc/91/46/69/429914669.db2.gz	ALPRIJGKCBXDNV-QGZVFWFLSA-N	0	3	311.429	2.771	20	30		DFEDHN
CCOC(=O)C1(COC)CCN(CC(C)(C)CCC#N)CC1	ZINC000369134601	429915039	/nfs/dbraw/zinc/91/50/39/429915039.db2.gz	ODWITCAVZWBSEO-UHFFFAOYSA-N	0	3	310.438	2.608	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@H](C)C[C@@H]2c2ccc(OC)cc2)C1=O	ZINC000369201442	429919243	/nfs/dbraw/zinc/91/92/43/429919243.db2.gz	AHTUXXZUTFCZMV-FHLIZLRMSA-N	0	3	314.429	2.865	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccnc(-n3ccnc3)c2)cc1	ZINC000369296164	429922904	/nfs/dbraw/zinc/92/29/04/429922904.db2.gz	ZXEKHUAPUOMOBE-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)NCC2(N(C)C)CC2)c1	ZINC000639631684	429926532	/nfs/dbraw/zinc/92/65/32/429926532.db2.gz	PDPBEPMMNMJNQL-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
CN(C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCc2ccccc21	ZINC000528348535	429875836	/nfs/dbraw/zinc/87/58/36/429875836.db2.gz	KLKUGVAGABQNEN-IEBWSBKVSA-N	0	3	322.408	2.917	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1	ZINC000639758340	429972282	/nfs/dbraw/zinc/97/22/82/429972282.db2.gz	RNHVPLJZUABVBK-SFHVURJKSA-N	0	3	312.417	2.588	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2c1cccc2Cl	ZINC000528922931	429934235	/nfs/dbraw/zinc/93/42/35/429934235.db2.gz	CRJFKKSERTYLNN-ZIAGYGMSSA-N	0	3	316.788	2.747	20	30		DFEDHN
CC1(C)C[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C(C)(C)O1	ZINC000528919439	429935568	/nfs/dbraw/zinc/93/55/68/429935568.db2.gz	LKIOJDMGTLWVNL-ZIAGYGMSSA-N	0	3	314.385	2.928	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1	ZINC000637117739	429986217	/nfs/dbraw/zinc/98/62/17/429986217.db2.gz	CACLJUDEPNPCCG-VQHPVUNQSA-N	0	3	323.481	2.624	20	30		DFEDHN
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1	ZINC000529000095	429948711	/nfs/dbraw/zinc/94/87/11/429948711.db2.gz	PWMDHARKHYZMTJ-QHRNJGFCSA-N	0	3	309.369	2.866	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(CC)c2C2CC2)CC1	ZINC000639688970	429949236	/nfs/dbraw/zinc/94/92/36/429949236.db2.gz	ULUCPAGERXHKRP-UHFFFAOYSA-N	0	3	316.449	2.551	20	30		DFEDHN
Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)ccn1	ZINC000529564063	430029102	/nfs/dbraw/zinc/02/91/02/430029102.db2.gz	BBXBPCORXZEYDQ-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1	ZINC000529635022	430044272	/nfs/dbraw/zinc/04/42/72/430044272.db2.gz	JBRXMNDSGPRMPU-LBPRGKRZSA-N	0	3	316.405	2.668	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637325666	430024287	/nfs/dbraw/zinc/02/42/87/430024287.db2.gz	YPIFBTXVYUKWML-HRCADAONSA-N	0	3	323.481	2.530	20	30		DFEDHN
N#Cc1ccc(CCC(=O)NC[C@H]2CCN2C2CCCC2)cc1	ZINC000530030511	430096013	/nfs/dbraw/zinc/09/60/13/430096013.db2.gz	UKULFZPFGLMOMN-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
C=CCCCN(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637669814	430104189	/nfs/dbraw/zinc/10/41/89/430104189.db2.gz	REDYTKOYPMYGCQ-UHFFFAOYSA-N	0	3	305.426	2.580	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COc1ccccc1C#N	ZINC000530231073	430105310	/nfs/dbraw/zinc/10/53/10/430105310.db2.gz	LYGOTSPASOLBRT-HKUYNNGSSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#CCC[C@H](C#N)CNCCCCc1ccc([N+](=O)[O-])cc1	ZINC000562060855	430107127	/nfs/dbraw/zinc/10/71/27/430107127.db2.gz	OPIBLTPODZSZAG-OAHLLOKOSA-N	0	3	300.362	2.951	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccsc2)cc1	ZINC000530240842	430107566	/nfs/dbraw/zinc/10/75/66/430107566.db2.gz	ALCLVYLJESZECA-BHYGNILZSA-N	0	3	314.410	2.505	20	30		DFEDHN
COC(=O)CC1(NCc2cccc(OCCCC#N)c2)CC1	ZINC000575129389	430055616	/nfs/dbraw/zinc/05/56/16/430055616.db2.gz	MNAUNNRFUVFULQ-UHFFFAOYSA-N	0	3	302.374	2.554	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000529716496	430060159	/nfs/dbraw/zinc/06/01/59/430060159.db2.gz	MPTNEJJQFRFDOV-AWEZNQCLSA-N	0	3	301.390	2.597	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C[C@](C)(O)C1CC1	ZINC000634643118	430063813	/nfs/dbraw/zinc/06/38/13/430063813.db2.gz	WMHRYKCLDJORJO-HKUYNNGSSA-N	0	3	319.445	2.595	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000634643121	430063824	/nfs/dbraw/zinc/06/38/24/430063824.db2.gz	WMHRYKCLDJORJO-PKOBYXMFSA-N	0	3	319.445	2.595	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(Cc3ccco3)C2)cc1	ZINC000529862533	430079259	/nfs/dbraw/zinc/07/92/59/430079259.db2.gz	NGTVVHUPPOUHAL-KRWDZBQOSA-N	0	3	319.364	2.535	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@H](C)S1	ZINC000532969250	430157167	/nfs/dbraw/zinc/15/71/67/430157167.db2.gz	OJXWZIZHHCTUCT-PHIMTYICSA-N	0	3	309.460	2.774	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@]1(C)CCCc2ccccc21	ZINC000538707640	430174541	/nfs/dbraw/zinc/17/45/41/430174541.db2.gz	MZLXRMZRMJIFRU-OALUTQOASA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](COc1ccccc1F)C(C)(C)C	ZINC000539493789	430176412	/nfs/dbraw/zinc/17/64/12/430176412.db2.gz	QAXPZXAIBLLMPK-HNNXBMFYSA-N	0	3	308.397	2.511	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(CCCC#N)n2)cc1	ZINC000577569871	430115269	/nfs/dbraw/zinc/11/52/69/430115269.db2.gz	JDWOPLUDYYSNON-UHFFFAOYSA-N	0	3	300.362	2.523	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC(OC(C)C)CC1	ZINC000530686983	430121870	/nfs/dbraw/zinc/12/18/70/430121870.db2.gz	PBLCPODRVKJHKV-UHFFFAOYSA-N	0	3	318.417	2.835	20	30		DFEDHN
Cc1cccc(CN(C)CCC(=O)Nc2sccc2C#N)n1	ZINC000562447428	430133459	/nfs/dbraw/zinc/13/34/59/430133459.db2.gz	SCMWGWATYPTZCD-UHFFFAOYSA-N	0	3	314.414	2.784	20	30		DFEDHN
C=CCCCCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C	ZINC000563374863	430182713	/nfs/dbraw/zinc/18/27/13/430182713.db2.gz	XOMFQGNHPUQPCA-INIZCTEOSA-N	0	3	323.481	2.628	20	30		DFEDHN
C[C@H](NC1(C2CC2)CC1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000541595130	430189424	/nfs/dbraw/zinc/18/94/24/430189424.db2.gz	KCHPLMVGNUEFAG-UUCFBXCCSA-N	0	3	303.450	2.838	20	30		DFEDHN
Cc1csc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1C#N	ZINC000581377607	430203008	/nfs/dbraw/zinc/20/30/08/430203008.db2.gz	JRAWCDDLMCEVTQ-LBPRGKRZSA-N	0	3	304.419	2.630	20	30		DFEDHN
C=CCCCCCNS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000565221204	430205171	/nfs/dbraw/zinc/20/51/71/430205171.db2.gz	LKZLBXJGXDKYHY-UHFFFAOYSA-N	0	3	310.463	2.773	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@@]3(CCN(C)C3)C2)c1C	ZINC000292140113	335088320	/nfs/dbraw/zinc/08/83/20/335088320.db2.gz	MJLYZWYURXIYKZ-LJQANCHMSA-N	0	3	315.461	2.501	20	30		DFEDHN
CCC[C@H](C)[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000565722293	430224542	/nfs/dbraw/zinc/22/45/42/430224542.db2.gz	OWZVCVTXOVFQCB-UAGQMJEPSA-N	0	3	302.418	2.672	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2cccc3ccccc32)C1	ZINC000566968982	430276328	/nfs/dbraw/zinc/27/63/28/430276328.db2.gz	OCPWSNJYQDRVDP-USXIJHARSA-N	0	3	310.397	2.861	20	30		DFEDHN
N#Cc1ccc(CN2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000567990040	430301266	/nfs/dbraw/zinc/30/12/66/430301266.db2.gz	YMZFFYYBUOWQBM-UHFFFAOYSA-N	0	3	314.389	2.527	20	30		DFEDHN
CCC[C@@H](C)[C@H](CO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000567992097	430302654	/nfs/dbraw/zinc/30/26/54/430302654.db2.gz	INZISTKZDDYXAT-ABAIWWIYSA-N	0	3	323.824	2.537	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(N(C)c2ccccc2)nc1	ZINC000585118259	430481341	/nfs/dbraw/zinc/48/13/41/430481341.db2.gz	IMKUVMYWXCYUBD-KRWDZBQOSA-N	0	3	309.413	2.713	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1	ZINC000641767643	430466770	/nfs/dbraw/zinc/46/67/70/430466770.db2.gz	NFOWZWRQNGYHDP-ZDUSSCGKSA-N	0	3	301.308	2.578	20	30		DFEDHN
C=CCN(CCc1ccco1)Cc1ccc2oc(=O)n(C)c2c1	ZINC000638918425	430473306	/nfs/dbraw/zinc/47/33/06/430473306.db2.gz	PUCXBSWXGRVXPU-UHFFFAOYSA-N	0	3	312.369	2.955	20	30		DFEDHN
CC1CCN([C@H](CNc2cc(C#N)cnn2)c2ccccc2)CC1	ZINC000596086465	430507424	/nfs/dbraw/zinc/50/74/24/430507424.db2.gz	ALFSVMYIUAINSY-GOSISDBHSA-N	0	3	321.428	3.233	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CC[C@@H]2c2ccccc2)CCOCC1	ZINC000599312768	430529503	/nfs/dbraw/zinc/52/95/03/430529503.db2.gz	BXHKKOIIHUNQDP-IAGOWNOFSA-N	0	3	300.402	2.505	20	30		DFEDHN
N#CCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1	ZINC000571771115	430651701	/nfs/dbraw/zinc/65/17/01/430651701.db2.gz	BRNGPVXXZWCLGH-UHFFFAOYSA-N	0	3	308.385	2.577	20	30		DFEDHN
Cc1cc(C#N)cnc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1	ZINC000571863028	430657353	/nfs/dbraw/zinc/65/73/53/430657353.db2.gz	NIRUSRMROFSLQX-CYBMUJFWSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=C(C)Cn1c(CCCC)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000555263558	430664467	/nfs/dbraw/zinc/66/44/67/430664467.db2.gz	DRGVTNDKPNBHSP-INIZCTEOSA-N	0	3	319.497	2.973	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](CC2CC2)C1	ZINC000555696582	430672468	/nfs/dbraw/zinc/67/24/68/430672468.db2.gz	HMGOZQSTUBWMFA-HOCLYGCPSA-N	0	3	303.450	2.840	20	30		DFEDHN
N#Cc1c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cn2ccccc12	ZINC000556289806	430682956	/nfs/dbraw/zinc/68/29/56/430682956.db2.gz	UUJVZTOERWLRKB-WDYCEAGBSA-N	0	3	309.413	2.936	20	30		DFEDHN
C[C@@]12CN(CC(=O)Nc3cccc(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1	ZINC000556306826	430683235	/nfs/dbraw/zinc/68/32/35/430683235.db2.gz	GNXVDSMEBHVULR-GFIVTLFCSA-N	0	3	307.397	2.641	20	30		DFEDHN
N#Cc1c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cn2ccccc12	ZINC000556289805	430683294	/nfs/dbraw/zinc/68/32/94/430683294.db2.gz	UUJVZTOERWLRKB-SZVBFZGTSA-N	0	3	309.413	2.936	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)C[C@@H](N)Cc1ccccc1	ZINC000572952443	430698332	/nfs/dbraw/zinc/69/83/32/430698332.db2.gz	RFWBSZLLIJQCBV-SFHVURJKSA-N	0	3	324.424	2.828	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1	ZINC000573072876	430699619	/nfs/dbraw/zinc/69/96/19/430699619.db2.gz	LCEHDQSLOUULOL-ZOBUZTSGSA-N	0	3	303.450	2.982	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@]2(CCN(C)C2)C1	ZINC000661417528	430706844	/nfs/dbraw/zinc/70/68/44/430706844.db2.gz	HGGRVYUOEADYLA-SOLBZPMBSA-N	0	3	305.466	2.859	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2OCCCO3)nc(C)n1	ZINC000651262917	430753162	/nfs/dbraw/zinc/75/31/62/430753162.db2.gz	OIVWSYICZWDKLD-CQSZACIVSA-N	0	3	323.352	2.745	20	30		DFEDHN
C=CCOCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000664866897	430767564	/nfs/dbraw/zinc/76/75/64/430767564.db2.gz	QQBQOCGQWXWGOV-RDJZCZTQSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=C(C)CCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000665019407	430802868	/nfs/dbraw/zinc/80/28/68/430802868.db2.gz	JYCBPMZVKKRZPS-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CC[C@H]1CC[C@@H](NCc2cccc(N3CCOCC3)n2)C1	ZINC000651766396	430871667	/nfs/dbraw/zinc/87/16/67/430871667.db2.gz	FYPPKNRMZPYCAG-JKSUJKDBSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([C@@H]2CCCCO2)CC1	ZINC000661871287	430875770	/nfs/dbraw/zinc/87/57/70/430875770.db2.gz	SIHHWMDBZALAOD-WMZOPIPTSA-N	0	3	320.477	2.857	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCCN(CC2CCC2)CC1	ZINC000655050885	430881357	/nfs/dbraw/zinc/88/13/57/430881357.db2.gz	BPFPVPBOJXZNJD-GOSISDBHSA-N	0	3	308.466	2.550	20	30		DFEDHN
COCC#CCN1CC[C@H](Cc2ccc(Br)cc2)C1	ZINC000645026092	430892364	/nfs/dbraw/zinc/89/23/64/430892364.db2.gz	UBTHNMBTRVIMTN-OAHLLOKOSA-N	0	3	322.246	2.963	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	ZINC000665392392	430920522	/nfs/dbraw/zinc/92/05/22/430920522.db2.gz	ZFNOPKIDZYFWQZ-YVSFHVDLSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000662079321	430950545	/nfs/dbraw/zinc/95/05/45/430950545.db2.gz	JVVINJCMQYAGGL-BHYGNILZSA-N	0	3	314.429	2.883	20	30		DFEDHN
C=C(C)CN(CC)C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659035371	430947595	/nfs/dbraw/zinc/94/75/95/430947595.db2.gz	WBEUNMGVPFKJKI-MRXNPFEDSA-N	0	3	303.406	2.777	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCO[C@@H]1CCCC[C@H]1C	ZINC000662083636	430952697	/nfs/dbraw/zinc/95/26/97/430952697.db2.gz	IDANDEUOFTYIGF-ZJPYXAASSA-N	0	3	320.477	2.881	20	30		DFEDHN
CC#CCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000655550668	431045241	/nfs/dbraw/zinc/04/52/41/431045241.db2.gz	ROGMQTHNIKEHBW-SFHVURJKSA-N	0	3	313.445	2.878	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)[C@@H](CN)c1ccccc1	ZINC000649266443	431048946	/nfs/dbraw/zinc/04/89/46/431048946.db2.gz	NHTVNCPUBLWOEH-IBGZPJMESA-N	0	3	308.425	2.986	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000649388076	431086074	/nfs/dbraw/zinc/08/60/74/431086074.db2.gz	XZDLNHGXOAJFIW-KDOFPFPSSA-N	0	3	320.433	2.517	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cn(-c2ccccc2F)nc1C	ZINC000655791967	431142219	/nfs/dbraw/zinc/14/22/19/431142219.db2.gz	IDKYKNZKINSQDS-HNNXBMFYSA-N	0	3	303.381	2.737	20	30		DFEDHN
C=CCC[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1	ZINC000655922329	431220357	/nfs/dbraw/zinc/22/03/57/431220357.db2.gz	UDALVJFBKZTAHD-STQMWFEESA-N	0	3	315.339	2.883	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000660323355	431380466	/nfs/dbraw/zinc/38/04/66/431380466.db2.gz	SVLZKNBNXDJATC-QGZVFWFLSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(CCC)C1	ZINC000666928015	431408501	/nfs/dbraw/zinc/40/85/01/431408501.db2.gz	CKFPUZVZFHQHBK-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)C2CCC(F)CC2)CC1	ZINC000660703840	431559687	/nfs/dbraw/zinc/55/96/87/431559687.db2.gz	IKZULUCBRLVITD-WLYUNCDWSA-N	0	3	311.445	2.853	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cnn2c1CCC2)C(C)C	ZINC000657308171	431666749	/nfs/dbraw/zinc/66/67/49/431666749.db2.gz	WVRDBBASNPTCQC-GOSISDBHSA-N	0	3	302.466	2.618	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000654307784	431736864	/nfs/dbraw/zinc/73/68/64/431736864.db2.gz	KCCLPVFVYXNQNC-SJORKVTESA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nc(C2CC2)no1	ZINC000661114432	431737102	/nfs/dbraw/zinc/73/71/02/431737102.db2.gz	HDZCXPYJZXNJDF-YPMHNXCESA-N	0	3	304.394	2.610	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1Cc1ccccc1	ZINC000661119392	431740141	/nfs/dbraw/zinc/74/01/41/431740141.db2.gz	RVKCKVJLCZFRLV-SJORKVTESA-N	0	3	311.433	2.946	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1cc(=O)n2ccsc2n1	ZINC000661117379	431740305	/nfs/dbraw/zinc/74/03/05/431740305.db2.gz	QLJVPROEBHAPBK-JSGCOSHPSA-N	0	3	303.431	2.981	20	30		DFEDHN
C=CCCn1cc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)nn1	ZINC000657438498	431752949	/nfs/dbraw/zinc/75/29/49/431752949.db2.gz	MPEXIGVORQDFCE-QAPCUYQASA-N	0	3	313.449	2.635	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C(F)(F)F)cnn1C	ZINC000657454276	431759284	/nfs/dbraw/zinc/75/92/84/431759284.db2.gz	IJMKUUHZNDCICH-GWCFXTLKSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1cn(Cc2cccnc2)nn1	ZINC000657530075	431796401	/nfs/dbraw/zinc/79/64/01/431796401.db2.gz	MLRHVJNFBDEGBT-SJLPKXTDSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@@H](C)COC)cc1	ZINC000657484454	431780813	/nfs/dbraw/zinc/78/08/13/431780813.db2.gz	ZDFKIAIPRQBSQD-QGTPRVQTSA-N	0	3	305.418	2.924	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1c(F)cncc1Br	ZINC000657496673	431786142	/nfs/dbraw/zinc/78/61/42/431786142.db2.gz	VBZXORBQUQXCDN-ZANVPECISA-N	0	3	315.186	2.664	20	30		DFEDHN
Cc1nc(N2CCC[C@H]2CN2CCCC2)c(Cl)cc1C#N	ZINC000360064755	281927843	/nfs/dbraw/zinc/92/78/43/281927843.db2.gz	DWHJSIKVCRJXIL-AWEZNQCLSA-N	0	3	304.825	2.980	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(C#N)ccc1OC	ZINC000162739682	295416830	/nfs/dbraw/zinc/41/68/30/295416830.db2.gz	BFMZUUPBAUPIAK-CVEARBPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000538684011	301326767	/nfs/dbraw/zinc/32/67/67/301326767.db2.gz	WIOABRLOWPGTLU-BXUZGUMPSA-N	0	3	303.793	2.520	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CN1C1CC1	ZINC000539783489	301348453	/nfs/dbraw/zinc/34/84/53/301348453.db2.gz	NADMYUOYVPMBPE-GXFFZTMASA-N	0	3	303.793	2.567	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(Cl)c(C#N)c1	ZINC000539785568	301349155	/nfs/dbraw/zinc/34/91/55/301349155.db2.gz	NBZVOLIJFGHXQE-IAQYHMDHSA-N	0	3	305.809	2.624	20	30		DFEDHN
CN(C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000540884472	301372475	/nfs/dbraw/zinc/37/24/75/301372475.db2.gz	OKFICQWTYFMYGD-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000541583801	301390378	/nfs/dbraw/zinc/39/03/78/301390378.db2.gz	XEMDFBRWZMRXLI-HUUCEWRRSA-N	0	3	317.820	2.910	20	30		DFEDHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000541583802	301390446	/nfs/dbraw/zinc/39/04/46/301390446.db2.gz	XEMDFBRWZMRXLI-LSDHHAIUSA-N	0	3	317.820	2.910	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)NCCN1CCCCCC1	ZINC000547414626	301531171	/nfs/dbraw/zinc/53/11/71/301531171.db2.gz	HEFQWLLHJFNBQR-UHFFFAOYSA-N	0	3	316.405	2.564	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNC2(C3CCC3)CCC2)c1	ZINC000564710736	302152432	/nfs/dbraw/zinc/15/24/32/302152432.db2.gz	JRJIFYDJGDVDDZ-UHFFFAOYSA-N	0	3	318.442	2.644	20	30		DFEDHN
C[C@@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc(C#N)c(F)c1	ZINC000564832140	302162020	/nfs/dbraw/zinc/16/20/20/302162020.db2.gz	JZJMXXLMRHGMDN-LQAWEQHXSA-N	0	3	314.364	2.612	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(C#N)c1	ZINC000567645768	302376015	/nfs/dbraw/zinc/37/60/15/302376015.db2.gz	YDLJSBMELLZVMA-MRXNPFEDSA-N	0	3	321.424	2.737	20	30		DFEDHN
C[C@@H]1CC[C@H](NCc2ccc(C#N)s2)[C@H](n2cncn2)C1	ZINC000570076404	302555224	/nfs/dbraw/zinc/55/52/24/302555224.db2.gz	SXYGBMPBTHGOPW-BYCMXARLSA-N	0	3	301.419	2.731	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccccc1)CC2	ZINC000573491998	302707708	/nfs/dbraw/zinc/70/77/08/302707708.db2.gz	RAINUSUVIDDYJO-VQIMIIECSA-N	0	3	308.381	2.575	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccncc2)cc1	ZINC000119407780	303196135	/nfs/dbraw/zinc/19/61/35/303196135.db2.gz	JOZQGFPELBDQNP-PKOBYXMFSA-N	0	3	323.396	2.530	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccsc1	ZINC000181209105	316053444	/nfs/dbraw/zinc/05/34/44/316053444.db2.gz	XDZYGFHQTKOZRK-HNNXBMFYSA-N	0	3	316.430	2.761	20	30		DFEDHN
C[C@@H]1CCC[C@H](CNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000318898550	316250797	/nfs/dbraw/zinc/25/07/97/316250797.db2.gz	UONUHXCQAWQFOO-ZBFHGGJFSA-N	0	3	320.458	2.748	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC3CCC2CC3)cc1	ZINC000319631237	316251300	/nfs/dbraw/zinc/25/13/00/316251300.db2.gz	BLTCYEMNZUTXEH-PGEKIEPBSA-N	0	3	318.442	2.500	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC3CCC2CC3)cc1	ZINC000319631240	316251462	/nfs/dbraw/zinc/25/14/62/316251462.db2.gz	BLTCYEMNZUTXEH-PUJMQQBBSA-N	0	3	318.442	2.500	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccc(F)cc1	ZINC000551906496	317860794	/nfs/dbraw/zinc/86/07/94/317860794.db2.gz	CRNBYFLTBPOVJH-UHFFFAOYSA-N	0	3	323.375	2.807	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](N[C@H]2CCC[C@@H]3C[C@@H]32)C1=O	ZINC000572099010	318001197	/nfs/dbraw/zinc/00/11/97/318001197.db2.gz	YQZTVMOEYIAURW-VZZFWQQMSA-N	0	3	301.415	2.503	20	30		DFEDHN
CC(C)CN1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000574703997	318034909	/nfs/dbraw/zinc/03/49/09/318034909.db2.gz	PMRMOWMGZKJYML-UHFFFAOYSA-N	0	3	309.417	2.522	20	30		DFEDHN
Cc1cc(CN2CCOC3(CCOCC3)CC2)ccc1C#N	ZINC000575046033	318058975	/nfs/dbraw/zinc/05/89/75/318058975.db2.gz	SUOSDHGEYOXXOL-UHFFFAOYSA-N	0	3	300.402	2.638	20	30		DFEDHN
N#Cc1ccsc1N1CC[C@@H](N[C@H]2CC3CCC2CC3)C1=O	ZINC000576217082	318111507	/nfs/dbraw/zinc/11/15/07/318111507.db2.gz	JEULALHDBAWSRA-VHMBPLKRSA-N	0	3	315.442	2.893	20	30		DFEDHN
N#Cc1cnn2cc(CNCC[C@@H]3CCc4ccccc43)cnc12	ZINC000576466780	318128324	/nfs/dbraw/zinc/12/83/24/318128324.db2.gz	XXRVEHGZYITOSE-INIZCTEOSA-N	0	3	317.396	2.811	20	30		DFEDHN
Cc1ncc(CNCCSCc2ccccc2C#N)n1C	ZINC000577627908	318206776	/nfs/dbraw/zinc/20/67/76/318206776.db2.gz	LHUVUQDNCMIQNC-UHFFFAOYSA-N	0	3	300.431	2.623	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O	ZINC000578326697	318253545	/nfs/dbraw/zinc/25/35/45/318253545.db2.gz	BPWXPINPTZTXCQ-ZWKOTPCHSA-N	0	3	302.418	2.558	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3cc(C#N)ncn3)c(C)c2)CC1	ZINC000579789913	318353031	/nfs/dbraw/zinc/35/30/31/318353031.db2.gz	VITDUXGVZUWMHX-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1	ZINC000579957410	318365889	/nfs/dbraw/zinc/36/58/89/318365889.db2.gz	AUXXWQHQPREQNY-NUEKZKHPSA-N	0	3	313.357	2.514	20	30		DFEDHN
C[C@H](c1ccncc1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000383612186	323305015	/nfs/dbraw/zinc/30/50/15/323305015.db2.gz	APXCTSUQNWBFBC-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
CC(C)CC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000391968225	323347185	/nfs/dbraw/zinc/34/71/85/323347185.db2.gz	UEZBZNUWZJQNBG-UHFFFAOYSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@@H](CCC1CC1)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000398045134	323356538	/nfs/dbraw/zinc/35/65/38/323356538.db2.gz	ARYMPSBVSKITNW-ZDUSSCGKSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1cc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399399837	323358920	/nfs/dbraw/zinc/35/89/20/323358920.db2.gz	AAMKIPVELRVABV-CRAIPNDOSA-N	0	3	306.413	2.759	20	30		DFEDHN
N#CCCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000580831052	332898665	/nfs/dbraw/zinc/89/86/65/332898665.db2.gz	BITYJNUWLVDISA-UHFFFAOYSA-N	0	3	303.362	2.989	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000297487940	331599450	/nfs/dbraw/zinc/59/94/50/331599450.db2.gz	NCUOPLQZMJVIGB-MRXNPFEDSA-N	0	3	319.474	2.676	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1	ZINC000030908638	331623054	/nfs/dbraw/zinc/62/30/54/331623054.db2.gz	XHZWJFVCOPTSDF-GOSISDBHSA-N	0	3	323.444	2.937	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nnc(CC2CCCCC2)s1	ZINC000569358180	332032072	/nfs/dbraw/zinc/03/20/72/332032072.db2.gz	MKCQLGIYCWRJOJ-GFCCVEGCSA-N	0	3	321.450	2.621	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cccc3c2ccn3C)CC1	ZINC000518580373	332083832	/nfs/dbraw/zinc/08/38/32/332083832.db2.gz	UQLGJXKBHLNILK-UHFFFAOYSA-N	0	3	312.417	2.950	20	30		DFEDHN
CCOc1cccc(N2CCN(CC(C)(C)CCC#N)CC2)n1	ZINC000092034114	332118112	/nfs/dbraw/zinc/11/81/12/332118112.db2.gz	FYXPPYINRZZIAP-UHFFFAOYSA-N	0	3	316.449	2.932	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](c3ccccc3)C2)CC1	ZINC000367517735	332226690	/nfs/dbraw/zinc/22/66/90/332226690.db2.gz	LHNFIWCLQCHDJU-RBUKOAKNSA-N	0	3	310.441	2.784	20	30		DFEDHN
C#CCOc1ccc(Br)cc1CNC[C@@H]1CCCO1	ZINC000041635062	332230022	/nfs/dbraw/zinc/23/00/22/332230022.db2.gz	HBRCSLCCKAIQBO-AWEZNQCLSA-N	0	3	324.218	2.730	20	30		DFEDHN
CN1CC[C@@H]2CN(c3cc(Br)c(C#N)cc3F)C[C@@H]21	ZINC000584302304	332230407	/nfs/dbraw/zinc/23/04/07/332230407.db2.gz	ZRTXETXQEDZXID-OTYXRUKQSA-N	0	3	324.197	2.600	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(F)CCNC1	ZINC000370793732	332252699	/nfs/dbraw/zinc/25/26/99/332252699.db2.gz	PRKQOSBCWWYTNU-CYBMUJFWSA-N	0	3	302.802	2.618	20	30		DFEDHN
N#CCSCCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152198878	332267383	/nfs/dbraw/zinc/26/73/83/332267383.db2.gz	SNRZRBGQPXQTBH-ZDUSSCGKSA-N	0	3	305.451	2.508	20	30		DFEDHN
C#CCNC(=O)CCNC(C)(C)c1cccc(C(F)(F)F)c1	ZINC000293115120	335100319	/nfs/dbraw/zinc/10/03/19/335100319.db2.gz	OWAMCGXMSJOOFK-UHFFFAOYSA-N	0	3	312.335	2.670	20	30		DFEDHN
COc1ccc(CNC[C@@H](O)C(C)(C)C)cc1OCCCC#N	ZINC000112382227	332313481	/nfs/dbraw/zinc/31/34/81/332313481.db2.gz	WBNLEMZAPKNJGD-QGZVFWFLSA-N	0	3	320.433	2.874	20	30		DFEDHN
CCCOc1ccc(/C=N/CC2([NH+](C)C)CCOCC2)c([O-])c1	ZINC000113771481	332321931	/nfs/dbraw/zinc/32/19/31/332321931.db2.gz	OYGWFXZMQZVDJU-CPNJWEJPSA-N	0	3	320.433	2.711	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C2CCOCC2)CC1	ZINC000153334841	332373540	/nfs/dbraw/zinc/37/35/40/332373540.db2.gz	AVPMZFSUIUEJAY-INIZCTEOSA-N	0	3	322.493	2.938	20	30		DFEDHN
C[C@@H](CNC[C@@H](C#N)CCC#N)N1CCc2sccc2C1	ZINC000561256278	332430322	/nfs/dbraw/zinc/43/03/22/332430322.db2.gz	ACYTZYFNVIIURP-UONOGXRCSA-N	0	3	302.447	2.528	20	30		DFEDHN
C=CC[C@H](C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1)c1ccccc1	ZINC000427627482	332469649	/nfs/dbraw/zinc/46/96/49/332469649.db2.gz	BCNUOJMQRRVJJE-ULQDDVLXSA-N	0	3	318.486	2.850	20	30		DFEDHN
C=CCOCCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000293625611	335113310	/nfs/dbraw/zinc/11/33/10/335113310.db2.gz	QPWJZDNUNLOTNJ-SFHVURJKSA-N	0	3	305.418	2.643	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccsc1	ZINC000134598249	332606457	/nfs/dbraw/zinc/60/64/57/332606457.db2.gz	OJWIFGZLYJYVDL-AWEZNQCLSA-N	0	3	305.447	2.941	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2OC)CC1	ZINC000106037436	332964120	/nfs/dbraw/zinc/96/41/20/332964120.db2.gz	SLQPUSYCOQLLBV-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000426088614	335113918	/nfs/dbraw/zinc/11/39/18/335113918.db2.gz	IZBDDLUAAZLDND-IAGOWNOFSA-N	0	3	318.417	2.547	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCc1cncc(C)c1	ZINC000562990979	333020867	/nfs/dbraw/zinc/02/08/67/333020867.db2.gz	KCWBATRUKDNIGU-GOSISDBHSA-N	0	3	312.413	2.648	20	30		DFEDHN
C=CCC(F)(F)C(=O)NCCCN1CCc2ccccc2C1	ZINC000294178106	335118917	/nfs/dbraw/zinc/11/89/17/335118917.db2.gz	SHSJSDXKHVKWQC-UHFFFAOYSA-N	0	3	308.372	2.762	20	30		DFEDHN
C#CCN(C)CCCNC(=O)C[C@@H](C)c1c[nH]c2ccccc21	ZINC000294077716	335119894	/nfs/dbraw/zinc/11/98/94/335119894.db2.gz	WJBPHIHJBVTIGF-OAHLLOKOSA-N	0	3	311.429	2.733	20	30		DFEDHN
CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1	ZINC000174905952	333092568	/nfs/dbraw/zinc/09/25/68/333092568.db2.gz	ZOXYDUBWWVREMM-KRWDZBQOSA-N	0	3	324.428	2.966	20	30		DFEDHN
Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](C#N)CCC#N	ZINC000580315988	333105026	/nfs/dbraw/zinc/10/50/26/333105026.db2.gz	PSLGHDCYVKKQCX-INIZCTEOSA-N	0	3	311.433	2.602	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(CC#N)cc1	ZINC000176279373	333111034	/nfs/dbraw/zinc/11/10/34/333111034.db2.gz	PYKHLZRWPWPAHQ-MRXNPFEDSA-N	0	3	300.406	2.701	20	30		DFEDHN
CC(C)(CCc1ccccc1)NCC(=O)N[C@](C)(C#N)C1CC1	ZINC000177187504	333125702	/nfs/dbraw/zinc/12/57/02/333125702.db2.gz	ARKRPIQFJBTEME-LJQANCHMSA-N	0	3	313.445	2.796	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(CC#N)cc1	ZINC000177718912	333131931	/nfs/dbraw/zinc/13/19/31/333131931.db2.gz	SJNSSQJKBUDTTB-SJORKVTESA-N	0	3	312.417	2.843	20	30		DFEDHN
N#CCSCCCN[C@@H](CN1CCCC1=O)c1ccccc1	ZINC000179569394	333152878	/nfs/dbraw/zinc/15/28/78/333152878.db2.gz	QDQWIWFKGZLHHB-INIZCTEOSA-N	0	3	317.458	2.587	20	30		DFEDHN
CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F	ZINC000179636701	333153737	/nfs/dbraw/zinc/15/37/37/333153737.db2.gz	JWZRRHOZSRDSBU-OAHLLOKOSA-N	0	3	309.360	2.768	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000179881005	333156338	/nfs/dbraw/zinc/15/63/38/333156338.db2.gz	TYDIBLXPTWSHPZ-OAHLLOKOSA-N	0	3	311.429	2.846	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CN1C1CC1	ZINC000180529890	333162650	/nfs/dbraw/zinc/16/26/50/333162650.db2.gz	SVISJNDGDQERLG-XJKSGUPXSA-N	0	3	309.413	2.597	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000181553742	333170148	/nfs/dbraw/zinc/17/01/48/333170148.db2.gz	VMISBCWIEDRXEA-PBHICJAKSA-N	0	3	311.429	2.700	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)C(C)(C)c1ccccc1	ZINC000181777461	333172297	/nfs/dbraw/zinc/17/22/97/333172297.db2.gz	STCITISJTNPBCB-BEFAXECRSA-N	0	3	315.461	2.997	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1	ZINC000294750517	335127120	/nfs/dbraw/zinc/12/71/20/335127120.db2.gz	YWYAAWQLQCIUSQ-UHFFFAOYSA-N	0	3	314.429	2.645	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000294442140	335123074	/nfs/dbraw/zinc/12/30/74/335123074.db2.gz	VGRORRKTGQWMJX-BPUTZDHNSA-N	0	3	316.380	2.604	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000309877289	333204833	/nfs/dbraw/zinc/20/48/33/333204833.db2.gz	ILUSXEPTTMOFPX-OALUTQOASA-N	0	3	313.445	2.955	20	30		DFEDHN
CN(CCN(C)C1CC1)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000185584412	333209947	/nfs/dbraw/zinc/20/99/47/333209947.db2.gz	SORPBPAHSWPZAS-KRWDZBQOSA-N	0	3	314.433	2.767	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCCCS(=O)(=O)c2ccccc2)C1	ZINC000185804349	333214290	/nfs/dbraw/zinc/21/42/90/333214290.db2.gz	MKLJNQBFTBDXQS-CABCVRRESA-N	0	3	306.431	2.522	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CSCC#N	ZINC000186141178	333217367	/nfs/dbraw/zinc/21/73/67/333217367.db2.gz	UVVMMDDXYYOCBR-INIZCTEOSA-N	0	3	319.474	2.516	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1	ZINC000364054618	333228406	/nfs/dbraw/zinc/22/84/06/333228406.db2.gz	JMQCKOXNSKYLFL-UHFFFAOYSA-N	0	3	303.381	2.667	20	30		DFEDHN
CCS(=O)(=O)c1c(Cl)cccc1CNCCCCC#N	ZINC000187202236	333228921	/nfs/dbraw/zinc/22/89/21/333228921.db2.gz	AICAQDLLHGOTQA-UHFFFAOYSA-N	0	3	314.838	2.917	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1	ZINC000295101288	335132302	/nfs/dbraw/zinc/13/23/02/335132302.db2.gz	KGBPIVUTZVNCOJ-YJBOKZPZSA-N	0	3	314.429	2.547	20	30		DFEDHN
C=CC1CCN(CC(=O)N[C@@H](C)Cc2ccccc2C)CC1	ZINC000525785159	333311022	/nfs/dbraw/zinc/31/10/22/333311022.db2.gz	QEDVZINRZNKPAV-INIZCTEOSA-N	0	3	300.446	2.940	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@H](Cn3ccnn3)C2)cc1	ZINC000119073629	333342415	/nfs/dbraw/zinc/34/24/15/333342415.db2.gz	FPVBBBFDJUIGMW-INIZCTEOSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000365237460	333399918	/nfs/dbraw/zinc/39/99/18/333399918.db2.gz	KQSWDZDSCCIPON-OAHLLOKOSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1	ZINC000295817757	335139892	/nfs/dbraw/zinc/13/98/92/335139892.db2.gz	UYIQSTKGZPZUPM-HNNXBMFYSA-N	0	3	314.429	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(OC(F)F)c2)CC1	ZINC000337263732	333444899	/nfs/dbraw/zinc/44/48/99/333444899.db2.gz	ZEXHHZVJGJRMLH-UHFFFAOYSA-N	0	3	324.371	2.597	20	30		DFEDHN
C=CCn1c(N2CCN(CC(C)C)CC2)nnc1C(C)(C)C	ZINC000337900832	333463139	/nfs/dbraw/zinc/46/31/39/333463139.db2.gz	ISRFBDNPSPISNS-UHFFFAOYSA-N	0	3	305.470	2.540	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@H](C)c1cc2ccccc2o1	ZINC000296473752	335142303	/nfs/dbraw/zinc/14/23/03/335142303.db2.gz	QKTKGUPCSKDWPY-CQSZACIVSA-N	0	3	313.401	2.748	20	30		DFEDHN
C=C(C)CS(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000373824731	333500153	/nfs/dbraw/zinc/50/01/53/333500153.db2.gz	RPQUKSCTZGZEIM-HNNXBMFYSA-N	0	3	322.474	2.708	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)C1	ZINC000338913536	333502238	/nfs/dbraw/zinc/50/22/38/333502238.db2.gz	RKZBMNVDVSSRPU-HLLBOEOZSA-N	0	3	303.450	2.649	20	30		DFEDHN
COc1cc2c(cc1OC)CCN([C@@H]1CC[C@@H](C#N)C1)CC2	ZINC000338927097	333502592	/nfs/dbraw/zinc/50/25/92/333502592.db2.gz	WIOMYRBTBKGBJR-CZUORRHYSA-N	0	3	300.402	2.797	20	30		DFEDHN
COc1ccc(CC2CCN(CCOCCC#N)CC2)cc1	ZINC000338945037	333502960	/nfs/dbraw/zinc/50/29/60/333502960.db2.gz	KPPUOCBRYFXCEG-UHFFFAOYSA-N	0	3	302.418	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](c2ccccc2)C(F)F)CC1	ZINC000296874190	335147010	/nfs/dbraw/zinc/14/70/10/335147010.db2.gz	UKDKXCZDDZGZJS-OAHLLOKOSA-N	0	3	323.387	2.942	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(CCC)Cc1ccccc1	ZINC000296780387	335148182	/nfs/dbraw/zinc/14/81/82/335148182.db2.gz	GWOCVBLXLDVSID-UHFFFAOYSA-N	0	3	301.434	2.563	20	30		DFEDHN
C=CCCC[C@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000433870477	333604247	/nfs/dbraw/zinc/60/42/47/333604247.db2.gz	QSFLQEUPRFXZGN-AWEZNQCLSA-N	0	3	310.463	2.771	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccc(CC)o1	ZINC000296943659	335150202	/nfs/dbraw/zinc/15/02/02/335150202.db2.gz	PTKHSZFCZOUIQK-MRXNPFEDSA-N	0	3	317.433	2.644	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1	ZINC000296940864	335150251	/nfs/dbraw/zinc/15/02/51/335150251.db2.gz	PNTGMCIGZRBBJX-INIZCTEOSA-N	0	3	301.434	2.653	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccccc1Cl	ZINC000296983296	335150666	/nfs/dbraw/zinc/15/06/66/335150666.db2.gz	SERCVOSIMODBEQ-CQSZACIVSA-N	0	3	321.852	2.998	20	30		DFEDHN
CCO[C@@H]1C[C@H]1NCc1ccc(OC)c(OCCCC#N)c1	ZINC000563592117	333631819	/nfs/dbraw/zinc/63/18/19/333631819.db2.gz	CDJOGSVEDROPIB-GDBMZVCRSA-N	0	3	304.390	2.645	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@H](C)CCC#N)CC2)s1	ZINC000411364087	333661441	/nfs/dbraw/zinc/66/14/41/333661441.db2.gz	YNGSXQYUBLGLTR-GFCCVEGCSA-N	0	3	305.447	2.943	20	30		DFEDHN
C=CC[C@@H](CO)CNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412236658	333741821	/nfs/dbraw/zinc/74/18/21/333741821.db2.gz	WHXNFOCFYSWIIT-QGZVFWFLSA-N	0	3	316.445	2.587	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1	ZINC000571607503	333820205	/nfs/dbraw/zinc/82/02/05/333820205.db2.gz	NNPCUSCPFQCHOM-FGTMMUONSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=C(C)COCCNc1ccnc2cc(OC)c(OC)cc21	ZINC000413202909	333837030	/nfs/dbraw/zinc/83/70/30/333837030.db2.gz	OQRGFFGFIFUZOU-UHFFFAOYSA-N	0	3	302.374	2.679	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CC1	ZINC000413248137	333839867	/nfs/dbraw/zinc/83/98/67/333839867.db2.gz	WMPSDORYGCXYGH-RDTXWAMCSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCO[C@@H]2c2ccnn2C)c1	ZINC000343394752	335161795	/nfs/dbraw/zinc/16/17/95/335161795.db2.gz	HBQIILZUMFQPMC-AEFFLSMTSA-N	0	3	313.401	2.605	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)c2cccc(SCC#N)c2)CCCN1C	ZINC000343458708	335166111	/nfs/dbraw/zinc/16/61/11/335166111.db2.gz	RMYBOMJZSRNIIB-SWLSCSKDSA-N	0	3	303.431	2.515	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1CC(F)F	ZINC000343470017	335167410	/nfs/dbraw/zinc/16/74/10/335167410.db2.gz	XQWCBRPUSBQPGU-LSDHHAIUSA-N	0	3	322.355	2.642	20	30		DFEDHN
CN(C)C/C=C/C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl	ZINC000265663364	333967635	/nfs/dbraw/zinc/96/76/35/333967635.db2.gz	FGRITWFEYBQOBI-NTYUQYKDSA-N	0	3	312.200	2.792	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cccn2C)c([O-])c1	ZINC000265945509	333969593	/nfs/dbraw/zinc/96/95/93/333969593.db2.gz	KEHDTQVHONBTBV-LSCADSNKSA-N	0	3	315.417	2.729	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1	ZINC000343497925	335169681	/nfs/dbraw/zinc/16/96/81/335169681.db2.gz	XPBMEUWYESKOAF-KRWDZBQOSA-N	0	3	318.461	2.866	20	30		DFEDHN
COc1ccc([C@@H](CO)N(C)Cc2ccc(CC#N)cc2)cc1	ZINC000343549668	335171606	/nfs/dbraw/zinc/17/16/06/335171606.db2.gz	KHKNAZGYCYFRNR-LJQANCHMSA-N	0	3	310.397	2.927	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1OC	ZINC000414563121	334020512	/nfs/dbraw/zinc/02/05/12/334020512.db2.gz	CSRMMLHTADHSOQ-ZBFHGGJFSA-N	0	3	305.418	2.853	20	30		DFEDHN
Cc1ccccc1[C@@H](NCC(=O)N(CCC#N)CCC#N)C1CC1	ZINC000271991633	334029332	/nfs/dbraw/zinc/02/93/32/334029332.db2.gz	GJNFQWFXKQHAPS-IBGZPJMESA-N	0	3	324.428	2.692	20	30		DFEDHN
Cc1ccccc1[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C1CC1	ZINC000272028388	334029650	/nfs/dbraw/zinc/02/96/50/334029650.db2.gz	MQCSTGWFSHAULU-MOPGFXCFSA-N	0	3	311.429	2.844	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@H](c1ccc(F)c(C)c1)C1CC1	ZINC000272073799	334030512	/nfs/dbraw/zinc/03/05/12/334030512.db2.gz	KCWYRJAJFVOWGH-SFHVURJKSA-N	0	3	317.408	2.937	20	30		DFEDHN
N#CCCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000273209769	334044433	/nfs/dbraw/zinc/04/44/33/334044433.db2.gz	UAXCPPSMQACOCO-QGZVFWFLSA-N	0	3	314.433	2.644	20	30		DFEDHN
COC(=O)COc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1	ZINC000274447889	334061375	/nfs/dbraw/zinc/06/13/75/334061375.db2.gz	KGICXXCEFBEVIO-CYBMUJFWSA-N	0	3	304.390	2.829	20	30		DFEDHN
C[C@H](CCC#N)N(C)C[C@H](c1cccs1)N1CCOCC1	ZINC000276357372	334076020	/nfs/dbraw/zinc/07/60/20/334076020.db2.gz	XRAAXWNWQVATFB-HUUCEWRRSA-N	0	3	307.463	2.745	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N(CCC#N)CCC#N)CCCC1(C)C	ZINC000277789048	334090916	/nfs/dbraw/zinc/09/09/16/334090916.db2.gz	OLZPXXBOMZGMSB-MRXNPFEDSA-N	0	3	316.449	2.709	20	30		DFEDHN
CN1CCCN(c2ccc(NC(=O)CC(C)(C)C#N)cc2)CC1	ZINC000278288158	334094635	/nfs/dbraw/zinc/09/46/35/334094635.db2.gz	QYSIGAGOWVXLEN-UHFFFAOYSA-N	0	3	314.433	2.707	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000343510467	335172854	/nfs/dbraw/zinc/17/28/54/335172854.db2.gz	LUADMHCJVKUAHN-QGZVFWFLSA-N	0	3	321.428	2.670	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC(C)(C)C#N	ZINC000279070785	334105167	/nfs/dbraw/zinc/10/51/67/334105167.db2.gz	UBYLPHXGONSHLI-WBVHZDCISA-N	0	3	313.445	2.953	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000343510466	335173028	/nfs/dbraw/zinc/17/30/28/335173028.db2.gz	LUADMHCJVKUAHN-KRWDZBQOSA-N	0	3	321.428	2.670	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000280572969	334118384	/nfs/dbraw/zinc/11/83/84/334118384.db2.gz	RJMKBFDPAOMJRA-UHFFFAOYSA-N	0	3	311.429	2.868	20	30		DFEDHN
N#CC1(CCCN2CCN(c3ccccc3)CC2)CCOCC1	ZINC000281940591	334129823	/nfs/dbraw/zinc/12/98/23/334129823.db2.gz	IUERBUNRVPQHJM-UHFFFAOYSA-N	0	3	313.445	2.909	20	30		DFEDHN
N#CC1CCC(CN[C@H](C(=O)NC2CC2)c2ccccc2)CC1	ZINC000282450295	334134820	/nfs/dbraw/zinc/13/48/20/334134820.db2.gz	OVQABJPJGLHZQM-JMLCCBQJSA-N	0	3	311.429	2.926	20	30		DFEDHN
CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)CCC#N	ZINC000282495926	334135024	/nfs/dbraw/zinc/13/50/24/334135024.db2.gz	QJMRHGSYBSACNS-OAHLLOKOSA-N	0	3	317.433	2.755	20	30		DFEDHN
CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)CCC#N	ZINC000282495926	334135025	/nfs/dbraw/zinc/13/50/25/334135025.db2.gz	QJMRHGSYBSACNS-OAHLLOKOSA-N	0	3	317.433	2.755	20	30		DFEDHN
CN(CCC#N)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1	ZINC000283075273	334139072	/nfs/dbraw/zinc/13/90/72/334139072.db2.gz	VCOCYANSFPGJNM-SFHVURJKSA-N	0	3	323.444	2.937	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCCCC#N)c1ccc(Cl)cc1	ZINC000283713606	334141193	/nfs/dbraw/zinc/14/11/93/334141193.db2.gz	ULKUIWRDSBTMIO-CQSZACIVSA-N	0	3	308.813	2.546	20	30		DFEDHN
CCN(CC#N)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000284976044	334144944	/nfs/dbraw/zinc/14/49/44/334144944.db2.gz	DIDIAYJZZFZTMV-OAHLLOKOSA-N	0	3	321.371	2.516	20	30		DFEDHN
C[C@H](NC(=O)NCCCCC#N)[C@@H](c1ccccc1)N(C)C	ZINC000287525304	334157931	/nfs/dbraw/zinc/15/79/31/334157931.db2.gz	VPYOWZCWJHEKJO-HOCLYGCPSA-N	0	3	302.422	2.671	20	30		DFEDHN
CN(C)c1ncccc1O[C@H]1CCN(CCCC(C)(C)C#N)C1	ZINC000289393108	334164852	/nfs/dbraw/zinc/16/48/52/334164852.db2.gz	REUZAGBWCBPCSE-HNNXBMFYSA-N	0	3	316.449	2.931	20	30		DFEDHN
Cc1cnccc1OC1CCN(CCCSCC#N)CC1	ZINC000289432473	334165185	/nfs/dbraw/zinc/16/51/85/334165185.db2.gz	SCWDEBBACPBVTF-UHFFFAOYSA-N	0	3	305.447	2.880	20	30		DFEDHN
N#CC1(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CCCCC1	ZINC000289982323	334170224	/nfs/dbraw/zinc/17/02/24/334170224.db2.gz	JSSYPTXANFDCHQ-CABCVRRESA-N	0	3	312.369	2.633	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000343593968	335180311	/nfs/dbraw/zinc/18/03/11/335180311.db2.gz	GTXCLRRCYQIQJB-MSOLQXFVSA-N	0	3	313.445	2.750	20	30		DFEDHN
CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1C1CC1	ZINC000290777053	334174745	/nfs/dbraw/zinc/17/47/45/334174745.db2.gz	MICVUCPMTYZYKB-WMZOPIPTSA-N	0	3	314.429	2.613	20	30		DFEDHN
N#CC(C(=O)c1ccnc2ccncc21)c1nc2ccccc2[nH]1	ZINC000340364007	334175244	/nfs/dbraw/zinc/17/52/44/334175244.db2.gz	SZEJVRQSARPQLK-GFCCVEGCSA-N	0	3	313.320	2.996	20	30		DFEDHN
C=CCN(CCC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000292349997	334187172	/nfs/dbraw/zinc/18/71/72/334187172.db2.gz	XIRWDQROBSOLTA-LJQANCHMSA-N	0	3	313.445	2.679	20	30		DFEDHN
N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccccc3[O-])CC2)C1	ZINC000292703101	334191028	/nfs/dbraw/zinc/19/10/28/334191028.db2.gz	DIGNAYOUZSRDRY-HIFRSBDPSA-N	0	3	313.401	2.735	20	30		DFEDHN
N#CCCOCCN1CCCCC[C@@H]1C[C@H](O)c1ccco1	ZINC000292705662	334191158	/nfs/dbraw/zinc/19/11/58/334191158.db2.gz	DQEJIQPAJMYLAC-CVEARBPZSA-N	0	3	306.406	2.878	20	30		DFEDHN
N#CCCOCCN(Cc1ccccc1)C[C@@H](O)c1ccco1	ZINC000292731253	334191378	/nfs/dbraw/zinc/19/13/78/334191378.db2.gz	GPPDQYPCBTYARY-QGZVFWFLSA-N	0	3	314.385	2.745	20	30		DFEDHN
N#CCCOCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000293696039	334201131	/nfs/dbraw/zinc/20/11/31/334201131.db2.gz	WTIBDAYPOLOVDX-AWEZNQCLSA-N	0	3	317.216	2.937	20	30		DFEDHN
N#CCCC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1	ZINC000340444718	334203710	/nfs/dbraw/zinc/20/37/10/334203710.db2.gz	ISPWSPODSSPQCO-CVEARBPZSA-N	0	3	306.431	2.588	20	30		DFEDHN
N#CCCOCCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000293988933	334204292	/nfs/dbraw/zinc/20/42/92/334204292.db2.gz	FJRHYHJWKUAJQX-MRXNPFEDSA-N	0	3	308.809	2.561	20	30		DFEDHN
N#CCCOCCN1CCC(N2CCc3cc(F)ccc32)CC1	ZINC000294095652	334205570	/nfs/dbraw/zinc/20/55/70/334205570.db2.gz	MBWQOBJDGOPRHA-UHFFFAOYSA-N	0	3	317.408	2.583	20	30		DFEDHN
CC[C@@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000294704106	334212623	/nfs/dbraw/zinc/21/26/23/334212623.db2.gz	USKOJGPZBJMHCR-GOSISDBHSA-N	0	3	301.434	2.513	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000531904216	334283102	/nfs/dbraw/zinc/28/31/02/334283102.db2.gz	GYHHRKPHTOCPDB-KRWDZBQOSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000111875635	334360230	/nfs/dbraw/zinc/36/02/30/334360230.db2.gz	IQBXUGVEIUFSQV-INIZCTEOSA-N	0	3	301.434	2.891	20	30		DFEDHN
C=CCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000122264085	334377571	/nfs/dbraw/zinc/37/75/71/334377571.db2.gz	NSJQLCJXLLZPDW-LLVKDONJSA-N	0	3	324.222	2.681	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCC(C)(C)N1CCCCC1	ZINC000341416837	334443719	/nfs/dbraw/zinc/44/37/19/334443719.db2.gz	CKOBBFONPVDWRK-UHFFFAOYSA-N	0	3	317.433	2.641	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1C(=O)N(CCC)CCN1CCCCC1	ZINC000342796720	334572268	/nfs/dbraw/zinc/57/22/68/334572268.db2.gz	QRERKAYYCUYVTO-DLBZAZTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCN1CCC(N[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1	ZINC000187977154	334606572	/nfs/dbraw/zinc/60/65/72/334606572.db2.gz	REKAIYDNJLCLQW-QGZVFWFLSA-N	0	3	314.408	2.878	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)Nc1ccc2c(c1)CNCCO2	ZINC000415979684	334636716	/nfs/dbraw/zinc/63/67/16/334636716.db2.gz	XORAODKPZHPVTB-UHFFFAOYSA-N	0	3	316.405	2.620	20	30		DFEDHN
O=C(NC[C@H]1COc2ccccc2O1)C1CCN(C2CC2)CC1	ZINC000328709388	334749872	/nfs/dbraw/zinc/74/98/72/334749872.db2.gz	QSPVZDZSTUITFJ-HNNXBMFYSA-N	0	3	316.401	2.657	20	30		DFEDHN
O=C(CCC(=O)N1CCN(C2CCCC2)CC1)NC1CCCC1	ZINC000328799456	334757726	/nfs/dbraw/zinc/75/77/26/334757726.db2.gz	XQBYKVLWEGUBQS-UHFFFAOYSA-N	0	3	321.465	2.753	20	30		DFEDHN
C[C@@H](C(=O)NCc1ncnn1C(C)(C)C)N1CCCCCC1	ZINC000328835139	334758946	/nfs/dbraw/zinc/75/89/46/334758946.db2.gz	SGDGYTWSLXPXLZ-ZDUSSCGKSA-N	0	3	307.442	2.754	20	30		DFEDHN
COC(=O)[C@H](CCN1CCC(C)(C#N)CC1)c1ccccc1	ZINC000425459064	334912810	/nfs/dbraw/zinc/91/28/10/334912810.db2.gz	NXNYWKAVKUOCPD-MRXNPFEDSA-N	0	3	300.402	2.959	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C2CC2)[nH]1)C(C)C	ZINC000343675578	335187512	/nfs/dbraw/zinc/18/75/12/335187512.db2.gz	XZHDQUSSYLCPTD-INIZCTEOSA-N	0	3	316.449	2.716	20	30		DFEDHN
N#CC1(CCCN2CC[C@H](Oc3cccnc3)C2)CCOCC1	ZINC000366851969	335208376	/nfs/dbraw/zinc/20/83/76/335208376.db2.gz	PGKKSHAZJWMSNK-KRWDZBQOSA-N	0	3	315.417	2.635	20	30		DFEDHN
CN(C(=O)CN1CCC[C@@H](C2CC2)C1)C1(C#N)CCCCC1	ZINC000344097541	335217751	/nfs/dbraw/zinc/21/77/51/335217751.db2.gz	MKFJOVAHWDJWRS-MRXNPFEDSA-N	0	3	303.450	2.793	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C(F)(F)F)CC1	ZINC000344484819	335253109	/nfs/dbraw/zinc/25/31/09/335253109.db2.gz	RFQBWDIDLXLWTF-LBPRGKRZSA-N	0	3	307.360	2.667	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1	ZINC000344766664	335275999	/nfs/dbraw/zinc/27/59/99/335275999.db2.gz	FCKSEDGKXQBXKK-CRAIPNDOSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000344766665	335276049	/nfs/dbraw/zinc/27/60/49/335276049.db2.gz	FCKSEDGKXQBXKK-MAUKXSAKSA-N	0	3	308.466	2.548	20	30		DFEDHN
CCN1CCO[C@H](CN[C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccccc1	ZINC000344841175	335279224	/nfs/dbraw/zinc/27/92/24/335279224.db2.gz	DKLSOSBFNXLYPL-NXWXRZEISA-N	0	3	313.445	2.730	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1	ZINC000345006505	335290704	/nfs/dbraw/zinc/29/07/04/335290704.db2.gz	FCIIGLFRJFTJSS-XJKSGUPXSA-N	0	3	303.406	2.856	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1	ZINC000345006504	335290961	/nfs/dbraw/zinc/29/09/61/335290961.db2.gz	FCIIGLFRJFTJSS-CZUORRHYSA-N	0	3	303.406	2.856	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCS[C@H](C)[C@H]1C	ZINC000345248210	335311824	/nfs/dbraw/zinc/31/18/24/335311824.db2.gz	SSBRWMPICBLYKO-BFYDXBDKSA-N	0	3	321.486	2.981	20	30		DFEDHN
C=CCSCCNC(=O)Nc1cccc(OCCN(C)C)c1	ZINC000345265576	335313100	/nfs/dbraw/zinc/31/31/00/335313100.db2.gz	MZDAFIHPULJSGV-UHFFFAOYSA-N	0	3	323.462	2.668	20	30		DFEDHN
Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C(C)C#N	ZINC000345593739	335339630	/nfs/dbraw/zinc/33/96/30/335339630.db2.gz	HOJCJUDNQRQTDF-SECBINFHSA-N	0	3	316.361	2.585	20	30		DFEDHN
Cc1nc(-c2ccc(CCNC(=O)C(C)C#N)s2)cs1	ZINC000345659086	335344137	/nfs/dbraw/zinc/34/41/37/335344137.db2.gz	IAUGDSNRNBCXAS-SECBINFHSA-N	0	3	305.428	2.998	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	ZINC000345755678	335348312	/nfs/dbraw/zinc/34/83/12/335348312.db2.gz	FVTJDLAPHDWRRN-UONOGXRCSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	ZINC000345755676	335348316	/nfs/dbraw/zinc/34/83/16/335348316.db2.gz	FVTJDLAPHDWRRN-KBPBESRZSA-N	0	3	309.369	2.997	20	30		DFEDHN
Cc1c([C@H](C)NC(=O)C(C)C#N)cnn1-c1ccc(F)cc1	ZINC000345777786	335350549	/nfs/dbraw/zinc/35/05/49/335350549.db2.gz	KQHFXJKUQFFXLR-MNOVXSKESA-N	0	3	300.337	2.657	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000345793658	335351645	/nfs/dbraw/zinc/35/16/45/335351645.db2.gz	DJQLWCCCZVVINK-GXTWGEPZSA-N	0	3	310.357	2.950	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(C(C)C)c2C2CC2)CC1	ZINC000345762141	335352512	/nfs/dbraw/zinc/35/25/12/335352512.db2.gz	PVYPGNFJXSQPSS-UHFFFAOYSA-N	0	3	316.449	2.722	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2noc3c2C[C@H](C)CC3)CC1	ZINC000345857354	335356049	/nfs/dbraw/zinc/35/60/49/335356049.db2.gz	NFVZHBJPFDRCCT-CYBMUJFWSA-N	0	3	317.433	2.570	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)NCCC(C)(C)C#N)cc1	ZINC000345931990	335362124	/nfs/dbraw/zinc/36/21/24/335362124.db2.gz	DGHXPEVVIZXLML-SFHVURJKSA-N	0	3	315.461	2.898	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000346042872	335370455	/nfs/dbraw/zinc/37/04/55/335370455.db2.gz	FBKUWCBZYTZIHQ-DLBZAZTESA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)OCC	ZINC000346180593	335378368	/nfs/dbraw/zinc/37/83/68/335378368.db2.gz	HJHZONADTDNWQX-NXOAAHMSSA-N	0	3	308.466	2.546	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)C[C@@H]1CCCCO1	ZINC000346225173	335386089	/nfs/dbraw/zinc/38/60/89/335386089.db2.gz	MKYQDDOIRKJRQO-MSOLQXFVSA-N	0	3	319.445	2.656	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1	ZINC000346262527	335395977	/nfs/dbraw/zinc/39/59/77/335395977.db2.gz	ORZCNYHYNAGWKF-CHWSQXEVSA-N	0	3	305.809	2.705	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000346267703	335396358	/nfs/dbraw/zinc/39/63/58/335396358.db2.gz	OYWORZHMRHLOBS-RCCFBDPRSA-N	0	3	322.493	2.938	20	30		DFEDHN
Cc1cc(NC(=O)[C@H](C)C#N)ccc1OCCN1CCCC1	ZINC000347132900	335468568	/nfs/dbraw/zinc/46/85/68/335468568.db2.gz	ZYMXMNNGCASCKI-CQSZACIVSA-N	0	3	301.390	2.568	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OCC)C12CCCC2	ZINC000347697065	335522291	/nfs/dbraw/zinc/52/22/91/335522291.db2.gz	XSWVABRALKYUMM-JKSUJKDBSA-N	0	3	306.450	2.514	20	30		DFEDHN
C=C1CCN(Cc2ccc(OCCOCCOC)cc2)CC1	ZINC000348275718	335570214	/nfs/dbraw/zinc/57/02/14/335570214.db2.gz	XQRIGRPTXHRAFX-UHFFFAOYSA-N	0	3	305.418	2.880	20	30		DFEDHN
C=CC[C@H](CO)N[C@@H](COC)c1cccc(C(F)(F)F)c1	ZINC000349759769	335697840	/nfs/dbraw/zinc/69/78/40/335697840.db2.gz	RMGRXIKYVOITQW-KGLIPLIRSA-N	0	3	303.324	2.920	20	30		DFEDHN
N#C[C@H]1CC[C@H](NCc2cc3c(c(Br)c2)OCO3)C1	ZINC000349814048	335702628	/nfs/dbraw/zinc/70/26/28/335702628.db2.gz	QXLCOMPTOGMURN-ONGXEEELSA-N	0	3	323.190	2.960	20	30		DFEDHN
COCC1(NCc2ccc(OC)c(OCCCC#N)c2)CC1	ZINC000532213111	335919422	/nfs/dbraw/zinc/91/94/22/335919422.db2.gz	SGZWSCCSWADSOR-UHFFFAOYSA-N	0	3	304.390	2.646	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@@]12CCCO2	ZINC000329448642	335977494	/nfs/dbraw/zinc/97/74/94/335977494.db2.gz	DDXCUXWVTSXNRI-CUSZFKRNSA-N	0	3	324.465	2.934	20	30		DFEDHN
O=C(N[C@H]1CSc2ccccc21)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329608293	336004815	/nfs/dbraw/zinc/00/48/15/336004815.db2.gz	NAZMGWKCCVFEIO-YGRLFVJLSA-N	0	3	314.414	2.618	20	30		DFEDHN
O=C(N[C@H]1CSc2ccccc21)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329608293	336004817	/nfs/dbraw/zinc/00/48/17/336004817.db2.gz	NAZMGWKCCVFEIO-YGRLFVJLSA-N	0	3	314.414	2.618	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC(=O)N1CCN(C2CCCCC2)CC1	ZINC000329677770	336037593	/nfs/dbraw/zinc/03/75/93/336037593.db2.gz	VFUDUPPAUPWGRV-GOEBONIOSA-N	0	3	304.438	2.543	20	30		DFEDHN
Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)CCC#N)C2)nc1	ZINC000351496210	336038566	/nfs/dbraw/zinc/03/85/66/336038566.db2.gz	VZXASUHWBWWQKT-GJZGRUSLSA-N	0	3	300.406	2.733	20	30		DFEDHN
C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCO1	ZINC000329686021	336044508	/nfs/dbraw/zinc/04/45/08/336044508.db2.gz	UWALVSRHCRFLCL-JQWIXIFHSA-N	0	3	309.435	2.767	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OCC2CC2)c1	ZINC000351597940	336048378	/nfs/dbraw/zinc/04/83/78/336048378.db2.gz	LKAUVNVOZBNVBQ-OAHLLOKOSA-N	0	3	323.352	2.764	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OCC2CC2)c1	ZINC000351597938	336048491	/nfs/dbraw/zinc/04/84/91/336048491.db2.gz	LKAUVNVOZBNVBQ-HNNXBMFYSA-N	0	3	323.352	2.764	20	30		DFEDHN
C=C(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1	ZINC000351602739	336048922	/nfs/dbraw/zinc/04/89/22/336048922.db2.gz	UJQGSHRHTXCNNT-KRWDZBQOSA-N	0	3	303.450	2.975	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329726413	336070919	/nfs/dbraw/zinc/07/09/19/336070919.db2.gz	OLKBJEOLEUTZCB-GHMZBOCLSA-N	0	3	316.430	2.862	20	30		DFEDHN
C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329726413	336070920	/nfs/dbraw/zinc/07/09/20/336070920.db2.gz	OLKBJEOLEUTZCB-GHMZBOCLSA-N	0	3	316.430	2.862	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(C(C)(C)C)nn1C	ZINC000329803993	336083973	/nfs/dbraw/zinc/08/39/73/336083973.db2.gz	LRRXNDWEASVOAV-YPMHNXCESA-N	0	3	304.438	2.505	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1cn2c(n1)CCCC2	ZINC000329821385	336086044	/nfs/dbraw/zinc/08/60/44/336086044.db2.gz	AMHAGIOKIXBEFH-ZIAGYGMSSA-N	0	3	304.438	2.591	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nnc(C2CC2)n1C1CC1	ZINC000329885692	336092409	/nfs/dbraw/zinc/09/24/09/336092409.db2.gz	UZSDEWOLGIMBGW-VXGBXAGGSA-N	0	3	317.437	2.820	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H]2CCOc3c(C)cccc32)CC1	ZINC000329914281	336094746	/nfs/dbraw/zinc/09/47/46/336094746.db2.gz	CIOBNCYTAJNDOS-MRXNPFEDSA-N	0	3	317.433	2.807	20	30		DFEDHN
CCN1CCC(NC(=O)CCc2cccc3c2OCO3)CC1	ZINC000329912372	336094914	/nfs/dbraw/zinc/09/49/14/336094914.db2.gz	BEFPCOFHLNEMLM-UHFFFAOYSA-N	0	3	304.390	2.789	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1C[C@@H]1C1CCCCC1	ZINC000329933229	336096967	/nfs/dbraw/zinc/09/69/67/336096967.db2.gz	BIQUSIFTWJQBLE-NUEKZKHPSA-N	0	3	316.449	2.918	20	30		DFEDHN
CC1CCN(CCNC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000329969316	336101250	/nfs/dbraw/zinc/10/12/50/336101250.db2.gz	ULOCCOPITFMINV-UHFFFAOYSA-N	0	3	321.421	2.605	20	30		DFEDHN
Cc1ccsc1CC[NH+]=C([O-])NC[C@H]1CCc2nccn2C1	ZINC000329974035	336101501	/nfs/dbraw/zinc/10/15/01/336101501.db2.gz	YYDJZBUCZLWPCL-CYBMUJFWSA-N	0	3	318.446	2.562	20	30		DFEDHN
Cc1ccsc1CCNC([O-])=[NH+]C[C@H]1CCc2nccn2C1	ZINC000329974035	336101504	/nfs/dbraw/zinc/10/15/04/336101504.db2.gz	YYDJZBUCZLWPCL-CYBMUJFWSA-N	0	3	318.446	2.562	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000330096138	336113137	/nfs/dbraw/zinc/11/31/37/336113137.db2.gz	WVYLAIYJTXBVHP-XBVQOTNRSA-N	0	3	323.481	2.566	20	30		DFEDHN
CN1CCC(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC1	ZINC000330206193	336124344	/nfs/dbraw/zinc/12/43/44/336124344.db2.gz	DBGMFYAUQQKTFY-UHFFFAOYSA-N	0	3	301.390	2.965	20	30		DFEDHN
CC1(C)CC[C@H](C(=O)NCC2(N3CCCCC3)CCOCC2)O1	ZINC000330209301	336124513	/nfs/dbraw/zinc/12/45/13/336124513.db2.gz	BOVZJENVSVIYTP-OAHLLOKOSA-N	0	3	324.465	2.936	20	30		DFEDHN
C[C@]1(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCc2ccccc21	ZINC000330241760	336128956	/nfs/dbraw/zinc/12/89/56/336128956.db2.gz	BWVHGDGOCBHFAX-KXBFYZLASA-N	0	3	324.428	2.953	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCn2ccnc2C1)N1CCCCC1	ZINC000330267609	336131675	/nfs/dbraw/zinc/13/16/75/336131675.db2.gz	ANWCTVJYLFZGPL-GDBMZVCRSA-N	0	3	304.438	2.665	20	30		DFEDHN
O=C(CCNC(=O)C1CCN(C2CC2)CC1)N1CCCCCC1	ZINC000330273407	336132417	/nfs/dbraw/zinc/13/24/17/336132417.db2.gz	ZEPBAIWEKRLFON-UHFFFAOYSA-N	0	3	321.465	2.610	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nnc4n3CCCCC4)C2)C1	ZINC000330276812	336132638	/nfs/dbraw/zinc/13/26/38/336132638.db2.gz	NKZJZVRPYYQZIB-PMPSAXMXSA-N	0	3	313.449	2.876	20	30		DFEDHN
C=CCCCCCN(C)CC(=O)NC(=O)NCc1ccccc1	ZINC000351913043	336133171	/nfs/dbraw/zinc/13/31/71/336133171.db2.gz	OPFUALMSOQULLJ-UHFFFAOYSA-N	0	3	317.433	2.691	20	30		DFEDHN
O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H](C1CC1)N1CCCC1	ZINC000330284510	336133578	/nfs/dbraw/zinc/13/35/78/336133578.db2.gz	XOTADRRJRGLSIS-RHSMWYFYSA-N	0	3	300.402	2.690	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000331695997	336144794	/nfs/dbraw/zinc/14/47/94/336144794.db2.gz	WMOQAUMMJPHAJV-KSZLIROESA-N	0	3	312.413	2.929	20	30		DFEDHN
N#C[C@H]1CCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000332252784	336165116	/nfs/dbraw/zinc/16/51/16/336165116.db2.gz	CNOVZVJBEBUFTA-QZTJIDSGSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C	ZINC000352236717	336205554	/nfs/dbraw/zinc/20/55/54/336205554.db2.gz	FLBCVEZGVMMRPL-GDBMZVCRSA-N	0	3	321.490	2.896	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000352446032	336219401	/nfs/dbraw/zinc/21/94/01/336219401.db2.gz	ATMKAIGEKSSUQW-QGZVFWFLSA-N	0	3	313.397	2.911	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN2CCC(F)(C#N)CC2)CC1	ZINC000352463826	336220613	/nfs/dbraw/zinc/22/06/13/336220613.db2.gz	KZSYNYZQBCRXPU-UHFFFAOYSA-N	0	3	309.429	2.599	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1	ZINC000352480272	336221278	/nfs/dbraw/zinc/22/12/78/336221278.db2.gz	GWDIXHJVAKFLOM-VFWDIBGWSA-N	0	3	311.154	2.720	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CC(C)C2)C1	ZINC000532321292	336238597	/nfs/dbraw/zinc/23/85/97/336238597.db2.gz	DMZPLXRMUAPZAP-HLCARVAJSA-N	0	3	311.429	2.878	20	30		DFEDHN
CCc1ccc([C@@H](CNC(=O)C2(C#N)CC(C)C2)N(C)C)cc1	ZINC000532324421	336239899	/nfs/dbraw/zinc/23/98/99/336239899.db2.gz	GBGFPKPSYUWISW-LTCLLZNKSA-N	0	3	313.445	2.908	20	30		DFEDHN
COC[C@@H](C)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000526991775	336278032	/nfs/dbraw/zinc/27/80/32/336278032.db2.gz	IFMDMPVOIUJTRU-WMLDXEAASA-N	0	3	321.852	2.805	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(NCC3CC3)ncn2)CC1	ZINC000301839990	336333517	/nfs/dbraw/zinc/33/35/17/336333517.db2.gz	XVOFWUDZXAOSIX-UHFFFAOYSA-N	0	3	301.438	2.751	20	30		DFEDHN
C=C(C)CN1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302052956	336345730	/nfs/dbraw/zinc/34/57/30/336345730.db2.gz	PMTPGBHUMGVTDQ-UHFFFAOYSA-N	0	3	305.378	2.540	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)CCC#N	ZINC000352969666	336380113	/nfs/dbraw/zinc/38/01/13/336380113.db2.gz	SUMFLAQHYMKQGV-GJZGRUSLSA-N	0	3	308.470	2.878	20	30		DFEDHN
C=C(C)[C@@H](NC(=O)N1CCCNCC1)c1ccc(F)c(F)c1	ZINC000418035538	336396231	/nfs/dbraw/zinc/39/62/31/336396231.db2.gz	VFPFSKMKGXDXPQ-OAHLLOKOSA-N	0	3	309.360	2.587	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)NC[C@@H](C)N(C)C1CC1	ZINC000111856441	336398723	/nfs/dbraw/zinc/39/87/23/336398723.db2.gz	ZXQOLWGCHZIYJA-CQSZACIVSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCOC[C@@H]2OCC)cc1OC	ZINC000353162965	336405145	/nfs/dbraw/zinc/40/51/45/336405145.db2.gz	BJWXLDBWCYAKKV-YJBOKZPZSA-N	0	3	321.417	2.544	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(CCC(N)=O)CC2)cc1	ZINC000353770420	336439812	/nfs/dbraw/zinc/43/98/12/336439812.db2.gz	UNDHBILPUJXBOY-UHFFFAOYSA-N	0	3	302.418	2.729	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@]1(C)CCCOC1)C(C)C	ZINC000357569901	336590929	/nfs/dbraw/zinc/59/09/29/336590929.db2.gz	MDADLLSEDLGBDU-FUHWJXTLSA-N	0	3	323.481	2.553	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1cc2nncn2c(C)n1)C(C)C	ZINC000357695232	336594786	/nfs/dbraw/zinc/59/47/86/336594786.db2.gz	XQCIVCHNQXPUIM-HNNXBMFYSA-N	0	3	314.437	2.543	20	30		DFEDHN
C=C(C)Cn1c(SC[C@@H](C)N(C)C)nnc1-c1ccncc1	ZINC000358777913	336643006	/nfs/dbraw/zinc/64/30/06/336643006.db2.gz	YFUULUZORUSAAW-CYBMUJFWSA-N	0	3	317.462	2.958	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1	ZINC000368705784	336851018	/nfs/dbraw/zinc/85/10/18/336851018.db2.gz	FTZYVNRJNWWQOK-GUDVDZBRSA-N	0	3	315.413	2.515	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CC1	ZINC000370332923	336882615	/nfs/dbraw/zinc/88/26/15/336882615.db2.gz	JCKFHNDUVJRYOI-YJBOKZPZSA-N	0	3	305.466	2.859	20	30		DFEDHN
C#CCCCCNC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000370433366	336884781	/nfs/dbraw/zinc/88/47/81/336884781.db2.gz	LXZXXVSMNTZHJR-UHFFFAOYSA-N	0	3	319.474	2.815	20	30		DFEDHN
C=C(CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)c1ccccc1	ZINC000418195714	336904903	/nfs/dbraw/zinc/90/49/03/336904903.db2.gz	HHQFNVMFTWFGLC-RBUKOAKNSA-N	0	3	321.424	2.836	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H]2CCCOC2)CC1	ZINC000371636334	336909594	/nfs/dbraw/zinc/90/95/94/336909594.db2.gz	BZDIEFYKBJOOMF-WMZOPIPTSA-N	0	3	322.493	2.938	20	30		DFEDHN
C=CCCCCCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C	ZINC000372578965	336934581	/nfs/dbraw/zinc/93/45/81/336934581.db2.gz	VBQKCBFFGWYXRQ-RLFYNMQTSA-N	0	3	308.466	2.724	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(c3c[nH]c4ncccc34)CC2)C1=O	ZINC000375593948	337014117	/nfs/dbraw/zinc/01/41/17/337014117.db2.gz	BDLVWVWAKJDNJC-KRWDZBQOSA-N	0	3	324.428	2.529	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(c3ccc(OC)cc3)CC2)C1=O	ZINC000375613732	337014608	/nfs/dbraw/zinc/01/46/08/337014608.db2.gz	SEVLRUUIGSCCPV-SFHVURJKSA-N	0	3	314.429	2.662	20	30		DFEDHN
C[C@@](O)(CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1	ZINC000376737163	337040210	/nfs/dbraw/zinc/04/02/10/337040210.db2.gz	PEOANSNPKMSZFU-LJQANCHMSA-N	0	3	321.424	2.846	20	30		DFEDHN
C[C@](O)(CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1	ZINC000376737159	337040249	/nfs/dbraw/zinc/04/02/49/337040249.db2.gz	PEOANSNPKMSZFU-IBGZPJMESA-N	0	3	321.424	2.846	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@]2(C)[C@@H]3Cc4ccccc4[C@@H]32)CC1	ZINC000376743186	337040350	/nfs/dbraw/zinc/04/03/50/337040350.db2.gz	KYPMMNQXKWDJJF-WSTZPKSXSA-N	0	3	310.441	2.729	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000376966947	337044368	/nfs/dbraw/zinc/04/43/68/337044368.db2.gz	HWVFUWVJQAIUSB-FQEVSTJZSA-N	0	3	322.452	2.772	20	30		DFEDHN
C=C(CNC(=O)N1CCCC12CCN(C)CC2)c1ccccc1	ZINC000377021198	337045531	/nfs/dbraw/zinc/04/55/31/337045531.db2.gz	UPGAFFKSQGOCMT-UHFFFAOYSA-N	0	3	313.445	2.970	20	30		DFEDHN
Cc1ccccc1CN1CCCN(C(=O)CC(C)(C)C#N)CC1	ZINC000377635802	337057190	/nfs/dbraw/zinc/05/71/90/337057190.db2.gz	CALBFNIDTKVAEN-UHFFFAOYSA-N	0	3	313.445	2.969	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1	ZINC000378251577	337068773	/nfs/dbraw/zinc/06/87/73/337068773.db2.gz	RTIWASZEJKSVOC-JKSUJKDBSA-N	0	3	316.470	2.764	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1OC	ZINC000378315040	337069740	/nfs/dbraw/zinc/06/97/40/337069740.db2.gz	OMGPIGNBXPAJRZ-CRAIPNDOSA-N	0	3	303.402	2.917	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](c2nncn2CC)C1	ZINC000378350483	337070575	/nfs/dbraw/zinc/07/05/75/337070575.db2.gz	ORMMSYCLNVQXAQ-KRWDZBQOSA-N	0	3	324.428	2.690	20	30		DFEDHN
C=CCN(CC)C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000378404393	337071937	/nfs/dbraw/zinc/07/19/37/337071937.db2.gz	ZKLCLQSGEITAJF-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCc2ccccc2)CC1	ZINC000171695877	337088307	/nfs/dbraw/zinc/08/83/07/337088307.db2.gz	NQTSJKUIRHZYAU-UHFFFAOYSA-N	0	3	301.434	2.569	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCOC2CCCCC2)CC1	ZINC000171704263	337088734	/nfs/dbraw/zinc/08/87/34/337088734.db2.gz	BSYRMDDNUSRRFR-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1	ZINC000171712923	337088859	/nfs/dbraw/zinc/08/88/59/337088859.db2.gz	GQGYEYYMIHGKHW-NVXWUHKLSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1	ZINC000171722642	337088906	/nfs/dbraw/zinc/08/89/06/337088906.db2.gz	UZTJTKSTZDONAK-UHFFFAOYSA-N	0	3	309.413	2.858	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccccc2OCC)CC1	ZINC000171723917	337088953	/nfs/dbraw/zinc/08/89/53/337088953.db2.gz	JXRPCUQNGRTBQP-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000171740763	337089067	/nfs/dbraw/zinc/08/90/67/337089067.db2.gz	CUGRZEAERMKEKI-GFCCVEGCSA-N	0	3	319.371	2.621	20	30		DFEDHN
C=CCN1CCC(Nc2cc(C)nc(-c3ccncc3)n2)CC1	ZINC000171832242	337089273	/nfs/dbraw/zinc/08/92/73/337089273.db2.gz	IRBZESAAVXUQEF-UHFFFAOYSA-N	0	3	309.417	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H]2CCOc3ccccc32)CC1	ZINC000172120237	337089958	/nfs/dbraw/zinc/08/99/58/337089958.db2.gz	XNAVPILLRCCLSD-HNNXBMFYSA-N	0	3	314.429	2.709	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1	ZINC000172908512	337132340	/nfs/dbraw/zinc/13/23/40/337132340.db2.gz	JEMFRHSYIATOCH-GDBMZVCRSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC(=O)Nc1cccc2c1CCN(CCCSCC#N)C2	ZINC000173871031	337138689	/nfs/dbraw/zinc/13/86/89/337138689.db2.gz	DCKKFXKOYFXZCH-UHFFFAOYSA-N	0	3	303.431	2.650	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2c(C)cccc2C)CC1	ZINC000178775418	337165103	/nfs/dbraw/zinc/16/51/03/337165103.db2.gz	MNORKOVWXLGVMM-UHFFFAOYSA-N	0	3	315.461	2.796	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnc2C)cc1	ZINC000183156785	337190224	/nfs/dbraw/zinc/19/02/24/337190224.db2.gz	BXGHTMSNVQBCNK-KBPBESRZSA-N	0	3	312.417	2.522	20	30		DFEDHN
C=CCN1CCC(NC(=O)CO[C@H]2CCCC[C@H]2CC)CC1	ZINC000184984490	337202057	/nfs/dbraw/zinc/20/20/57/337202057.db2.gz	YPKLVVGJNODXIN-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000185192553	337202583	/nfs/dbraw/zinc/20/25/83/337202583.db2.gz	KRTAVYMTTJLTLE-HNNXBMFYSA-N	0	3	304.434	2.846	20	30		DFEDHN
COc1ccc2c(c1)C[C@@H](NCc1ccc(CC#N)cc1)CO2	ZINC000582964951	337221386	/nfs/dbraw/zinc/22/13/86/337221386.db2.gz	YQVIYHMDWLZCEE-QGZVFWFLSA-N	0	3	308.381	2.855	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000583245029	337286217	/nfs/dbraw/zinc/28/62/17/337286217.db2.gz	OQVFZPPAJPYSMI-KNIMUDFMSA-N	0	3	311.429	2.735	20	30		DFEDHN
C=CCN(CCOC)Cc1ccc(OCc2nccn2C)cc1	ZINC000191757082	337299853	/nfs/dbraw/zinc/29/98/53/337299853.db2.gz	JFNAFTRGIOJXFO-UHFFFAOYSA-N	0	3	315.417	2.634	20	30		DFEDHN
C[C@H](NCC#Cc1ccccc1)c1ccc(-n2ccnn2)cc1	ZINC000192162812	337303544	/nfs/dbraw/zinc/30/35/44/337303544.db2.gz	FQDHIDSHEIPQQX-INIZCTEOSA-N	0	3	302.381	2.970	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)c2ncc(C#N)cc2C)N(C)C)cc1	ZINC000584483083	337349052	/nfs/dbraw/zinc/34/90/52/337349052.db2.gz	YUEKQAJISTVMMU-QGZVFWFLSA-N	0	3	322.412	2.603	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000584530466	337356709	/nfs/dbraw/zinc/35/67/09/337356709.db2.gz	OLTJHXCSSFPATM-SJKOYZFVSA-N	0	3	303.369	2.624	20	30		DFEDHN
CC[C@@H](CC(F)(F)F)NC[C@H](O)COc1ccc(C#N)cc1	ZINC000584586744	337369689	/nfs/dbraw/zinc/36/96/89/337369689.db2.gz	VRBZHEDBAOORIW-STQMWFEESA-N	0	3	316.323	2.619	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@H](N)c1ccccc1	ZINC000418430535	337385387	/nfs/dbraw/zinc/38/53/87/337385387.db2.gz	PERDKZYFEONIJB-KRWDZBQOSA-N	0	3	313.401	2.720	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1	ZINC000120582184	337396041	/nfs/dbraw/zinc/39/60/41/337396041.db2.gz	DPSNXFHMOORGHA-NVXWUHKLSA-N	0	3	322.412	2.741	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000248853869	337567884	/nfs/dbraw/zinc/56/78/84/337567884.db2.gz	PDCGAYYAVUFQHX-KZNAEPCWSA-N	0	3	311.429	2.850	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1	ZINC000248872752	337568023	/nfs/dbraw/zinc/56/80/23/337568023.db2.gz	QSTIVDBLTBHDMN-BZUAXINKSA-N	0	3	320.458	2.911	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1cccnc1)C(C)C	ZINC000079045564	337613421	/nfs/dbraw/zinc/61/34/21/337613421.db2.gz	DMYSDYWUSSNPON-QGZVFWFLSA-N	0	3	316.449	2.579	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1	ZINC000424072540	337731182	/nfs/dbraw/zinc/73/11/82/337731182.db2.gz	YMKYSYALKOGWFR-GFCCVEGCSA-N	0	3	315.295	2.587	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000424076516	337731239	/nfs/dbraw/zinc/73/12/39/337731239.db2.gz	MFKHIKBXYZLOBC-LBPRGKRZSA-N	0	3	300.189	2.631	20	30		DFEDHN
CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H](N)CCCC#N	ZINC000424086320	337731947	/nfs/dbraw/zinc/73/19/47/337731947.db2.gz	GMNWDRPRWAMFNC-LSDHHAIUSA-N	0	3	303.406	2.674	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccccc1OC1CCCC1	ZINC000424093222	337733166	/nfs/dbraw/zinc/73/31/66/337733166.db2.gz	RBWUVMXAFHBZDL-CQSZACIVSA-N	0	3	301.390	2.968	20	30		DFEDHN
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H](N)CCCC#N	ZINC000424092898	337733222	/nfs/dbraw/zinc/73/32/22/337733222.db2.gz	QULORFWRQBIBKG-AWEZNQCLSA-N	0	3	316.405	2.549	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OCC(F)F	ZINC000424113716	337740908	/nfs/dbraw/zinc/74/09/08/337740908.db2.gz	OENQTFACEVHLRX-LBPRGKRZSA-N	0	3	311.332	2.599	20	30		DFEDHN
CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424125346	337749625	/nfs/dbraw/zinc/74/96/25/337749625.db2.gz	QTIWPYYQPGFBSM-RHSMWYFYSA-N	0	3	317.433	2.920	20	30		DFEDHN
CCCCN1CCc2ccc(NC(=O)[C@H](N)CCCC#N)cc21	ZINC000424157438	337784335	/nfs/dbraw/zinc/78/43/35/337784335.db2.gz	RADNVIWLWSTTOV-MRXNPFEDSA-N	0	3	314.433	2.809	20	30		DFEDHN
CCC(C#N)(CC)c1nc(CC2=N[C@@H]3CCCC[C@@H]3N2)no1	ZINC000528154429	337790502	/nfs/dbraw/zinc/79/05/02/337790502.db2.gz	QJCJPZKQWUXENB-TXEJJXNPSA-N	0	3	301.394	2.506	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CSC)CC1	ZINC000119733730	337863100	/nfs/dbraw/zinc/86/31/00/337863100.db2.gz	PNSLYXRJSHFRMR-OAHLLOKOSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1	ZINC000426005975	338019416	/nfs/dbraw/zinc/01/94/16/338019416.db2.gz	DGRGAVRWOJKXQT-KRWDZBQOSA-N	0	3	323.481	2.626	20	30		DFEDHN
Cc1cc(Br)c2c(c1)CN(C(=O)C(C)C#N)CC2	ZINC000428268897	338044982	/nfs/dbraw/zinc/04/49/82/338044982.db2.gz	SINGCJHVZMZMER-SNVBAGLBSA-N	0	3	307.191	2.802	20	30		DFEDHN
C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000428909150	338064918	/nfs/dbraw/zinc/06/49/18/338064918.db2.gz	WQGLEGIGTRXJJQ-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1	ZINC000430408805	338106649	/nfs/dbraw/zinc/10/66/49/338106649.db2.gz	RAUYVJFZUAEWKY-KRWDZBQOSA-N	0	3	319.449	2.523	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC(F)(F)C2)CC1	ZINC000430566873	338108876	/nfs/dbraw/zinc/10/88/76/338108876.db2.gz	DOAPTJGEPZARAX-ZDUSSCGKSA-N	0	3	315.408	2.762	20	30		DFEDHN
CN(CCNC(=O)N[C@H](CCCC#N)c1ccccc1)C1CC1	ZINC000431280353	338127225	/nfs/dbraw/zinc/12/72/25/338127225.db2.gz	JKKDPVUZZNGELP-QGZVFWFLSA-N	0	3	314.433	2.815	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000433220283	338186398	/nfs/dbraw/zinc/18/63/98/338186398.db2.gz	OZIQLHTZWVJIRW-FUHWJXTLSA-N	0	3	313.445	2.607	20	30		DFEDHN
CN(C[C@@H]1CCCCO1)C(=O)C(C#N)CCc1ccccc1	ZINC000433312286	338191647	/nfs/dbraw/zinc/19/16/47/338191647.db2.gz	LGFAQUVRMZYVDX-IRXDYDNUSA-N	0	3	300.402	2.786	20	30		DFEDHN
COC(=O)CCN(C(=O)C(C#N)CCc1ccccc1)C(C)C	ZINC000433348355	338193570	/nfs/dbraw/zinc/19/35/70/338193570.db2.gz	UULUJMBBOBMLRO-MRXNPFEDSA-N	0	3	316.401	2.559	20	30		DFEDHN
CC(C)C[C@H](CCO)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433375210	338194115	/nfs/dbraw/zinc/19/41/15/338194115.db2.gz	GYDIOSKBLPUDBP-ZWKOTPCHSA-N	0	3	316.445	2.920	20	30		DFEDHN
C=CCCC[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1	ZINC000433415174	338194902	/nfs/dbraw/zinc/19/49/02/338194902.db2.gz	QUGDOBYOIZFPDF-CVEARBPZSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)ccnc2OCC)CC1	ZINC000434134856	338210470	/nfs/dbraw/zinc/21/04/70/338210470.db2.gz	IZJJMMYZCNZGFA-UHFFFAOYSA-N	0	3	317.433	2.559	20	30		DFEDHN
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CC(F)F	ZINC000336810778	338303823	/nfs/dbraw/zinc/30/38/23/338303823.db2.gz	JHYJMDHDUHPQEJ-VIFPVBQESA-N	0	3	308.781	2.899	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C12CCCC2	ZINC000439670856	338375739	/nfs/dbraw/zinc/37/57/39/338375739.db2.gz	IOUPENXMCPCHSK-BBWFWOEESA-N	0	3	320.477	2.903	20	30		DFEDHN
CC(C)NC(=O)Nc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1	ZINC000442723512	338429126	/nfs/dbraw/zinc/42/91/26/338429126.db2.gz	ZGBJQPMZLOSSPR-ZBFHGGJFSA-N	0	3	300.406	2.998	20	30		DFEDHN
CC1(C#N)CCC([NH2+]CCCNC(=O)c2cccc([O-])c2)CC1	ZINC000449109997	338594361	/nfs/dbraw/zinc/59/43/61/338594361.db2.gz	ABEIEKVHEPMZDQ-UHFFFAOYSA-N	0	3	315.417	2.574	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000449172867	338599075	/nfs/dbraw/zinc/59/90/75/338599075.db2.gz	MTLAKBPIQGTGFU-UKRRQHHQSA-N	0	3	304.438	2.558	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CC(=O)N(CC)C2)cc1Cl	ZINC000449519323	338633933	/nfs/dbraw/zinc/63/39/33/338633933.db2.gz	PYRNIENJJDTOPF-ZDUSSCGKSA-N	0	3	308.809	2.615	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccc2OC)nc1	ZINC000449524324	338634385	/nfs/dbraw/zinc/63/43/85/338634385.db2.gz	ZQGQBRIHYSXVIE-CVEARBPZSA-N	0	3	311.385	2.585	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccc(OC)cc2)c1	ZINC000449548365	338636636	/nfs/dbraw/zinc/63/66/36/338636636.db2.gz	MTOJWXFTSUARKN-MSOLQXFVSA-N	0	3	313.401	2.704	20	30		DFEDHN
C=CC(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000450192672	338670680	/nfs/dbraw/zinc/67/06/80/338670680.db2.gz	KRBJUJCHUZFLGC-CQSZACIVSA-N	0	3	301.434	2.935	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000451525866	338737732	/nfs/dbraw/zinc/73/77/32/338737732.db2.gz	BLSRUCLKGZKOLS-PMPSAXMXSA-N	0	3	322.836	2.650	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](CCC)c1ccccc1	ZINC000451677880	338741810	/nfs/dbraw/zinc/74/18/10/338741810.db2.gz	VUTOCCZJFLCJNC-KURKYZTESA-N	0	3	316.445	2.967	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000451920753	338748222	/nfs/dbraw/zinc/74/82/22/338748222.db2.gz	HENNMDWNUYLBAW-ZDUSSCGKSA-N	0	3	322.399	2.910	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453339977	338827458	/nfs/dbraw/zinc/82/74/58/338827458.db2.gz	CZPBKXRXQBRVFB-DOMZBBRYSA-N	0	3	306.406	2.631	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000458593868	339001504	/nfs/dbraw/zinc/00/15/04/339001504.db2.gz	VDWGJRLRIJWXIT-CVEARBPZSA-N	0	3	314.433	2.623	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@H]1CCN(C(C)C)C1)c1ccccc1	ZINC000458745110	339004525	/nfs/dbraw/zinc/00/45/25/339004525.db2.gz	AONWMKRQSTWRHS-KRWDZBQOSA-N	0	3	301.434	2.824	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1)c1ccccc1	ZINC000458745112	339004572	/nfs/dbraw/zinc/00/45/72/339004572.db2.gz	AONWMKRQSTWRHS-QGZVFWFLSA-N	0	3	301.434	2.824	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000458909912	339008489	/nfs/dbraw/zinc/00/84/89/339008489.db2.gz	YVBYVYUECDZFFS-IUODEOHRSA-N	0	3	307.463	2.885	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC(C)(C)CC#N	ZINC000458937830	339009103	/nfs/dbraw/zinc/00/91/03/339009103.db2.gz	OIDLDIKLVMQIRY-HNNXBMFYSA-N	0	3	308.470	2.736	20	30		DFEDHN
C=CCN(CCc1cncn1C)Cc1cccc([N+](=O)[O-])c1	ZINC000459331984	339022292	/nfs/dbraw/zinc/02/22/92/339022292.db2.gz	VFISGUGACOKDSL-UHFFFAOYSA-N	0	3	300.362	2.559	20	30		DFEDHN
CC(C)(CC#N)CNCc1ccc(Cl)cc1-n1cncn1	ZINC000459739085	339045344	/nfs/dbraw/zinc/04/53/44/339045344.db2.gz	YWNDRLLIHHAYHC-UHFFFAOYSA-N	0	3	303.797	2.950	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000459810333	339049507	/nfs/dbraw/zinc/04/95/07/339049507.db2.gz	TYDIYYQXPSRNCB-RYQLBKOJSA-N	0	3	322.493	2.673	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C	ZINC000472326004	339369786	/nfs/dbraw/zinc/36/97/86/339369786.db2.gz	ZHIRRZQZZPSSMM-FUHWJXTLSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=CCC[C@H](O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC	ZINC000472573400	339374220	/nfs/dbraw/zinc/37/42/20/339374220.db2.gz	GWVFEKRAKQVOPE-IKGGRYGDSA-N	0	3	309.450	2.757	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(C)(OCC)CC2)CC1	ZINC000488851120	339795106	/nfs/dbraw/zinc/79/51/06/339795106.db2.gz	IQHDOGOVNYQZRU-UHFFFAOYSA-N	0	3	323.481	2.628	20	30		DFEDHN
C#C[C@@H](NC1CCN(CCOC)CC1)c1ccc(Cl)cc1F	ZINC000491381646	339860063	/nfs/dbraw/zinc/86/00/63/339860063.db2.gz	GJHVALWMHXNLGV-QGZVFWFLSA-N	0	3	324.827	2.854	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)CC1	ZINC000491454352	339862819	/nfs/dbraw/zinc/86/28/19/339862819.db2.gz	YFIMBPNSSOOZBP-MMIPBJDJSA-N	0	3	302.462	2.663	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2ccnc3ccc(CC)cc32)CC1	ZINC000491536223	339865676	/nfs/dbraw/zinc/86/56/76/339865676.db2.gz	INWZRVZXTGXEGU-UHFFFAOYSA-N	0	3	321.424	2.763	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000491615329	339868594	/nfs/dbraw/zinc/86/85/94/339868594.db2.gz	CJHHEXIOSUBPPX-CZUORRHYSA-N	0	3	319.474	2.674	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000491620356	339868836	/nfs/dbraw/zinc/86/88/36/339868836.db2.gz	GEAHBFLRVHCWGE-ZOBUZTSGSA-N	0	3	301.434	2.649	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CC(F)F)c2ccccc2)CC1	ZINC000491739954	339877546	/nfs/dbraw/zinc/87/75/46/339877546.db2.gz	XVVGBGRSFLLPMV-MRXNPFEDSA-N	0	3	320.383	2.844	20	30		DFEDHN
C[C@@H](CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)N(C)C	ZINC000493377706	339924249	/nfs/dbraw/zinc/92/42/49/339924249.db2.gz	CBHQNNZUUOXKFD-FEAKQIBJSA-N	0	3	324.428	2.634	20	30		DFEDHN
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CCC1	ZINC000496295723	340002364	/nfs/dbraw/zinc/00/23/64/340002364.db2.gz	PZLUDMZZAXRJJN-ZIAGYGMSSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CCC1	ZINC000496295722	340002385	/nfs/dbraw/zinc/00/23/85/340002385.db2.gz	PZLUDMZZAXRJJN-UONOGXRCSA-N	0	3	307.438	2.915	20	30		DFEDHN
CCN(C(=O)C(C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496604284	340008722	/nfs/dbraw/zinc/00/87/22/340008722.db2.gz	FIYCUXLQPDJTMJ-ZIAGYGMSSA-N	0	3	323.437	2.784	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C	ZINC000496715521	340011157	/nfs/dbraw/zinc/01/11/57/340011157.db2.gz	DACXFDARMPWTKQ-OLZOCXBDSA-N	0	3	323.437	2.688	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCN1CCC	ZINC000511924965	340343019	/nfs/dbraw/zinc/34/30/19/340343019.db2.gz	XNTGVZVRIKCJLF-INIZCTEOSA-N	0	3	319.449	2.894	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2Cc3ccccc3C[C@H]2C)CC1	ZINC000173199757	340360091	/nfs/dbraw/zinc/36/00/91/340360091.db2.gz	UERRGKCFEUITHW-OAHLLOKOSA-N	0	3	313.445	2.793	20	30		DFEDHN
C=CC[C@H](CO)Nc1cc(C)nc2ccc(OC(F)F)cc21	ZINC000512448048	340362151	/nfs/dbraw/zinc/36/21/51/340362151.db2.gz	PPODJLCSHDYPLY-LLVKDONJSA-N	0	3	308.328	2.915	20	30		DFEDHN
C=CC[C@@H](CO)Nc1cc(C)nc2ccc(OC(F)F)cc21	ZINC000512448049	340362161	/nfs/dbraw/zinc/36/21/61/340362161.db2.gz	PPODJLCSHDYPLY-NSHDSACASA-N	0	3	308.328	2.915	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@]1(C)CCCc2ccccc21	ZINC000538707642	340838981	/nfs/dbraw/zinc/83/89/81/340838981.db2.gz	MZLXRMZRMJIFRU-RTBURBONSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2scnc2C)CC1	ZINC000066599316	340848981	/nfs/dbraw/zinc/84/89/81/340848981.db2.gz	SLUYRGYOWPTSRZ-UHFFFAOYSA-N	0	3	322.478	2.633	20	30		DFEDHN
COC[C@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C(C)C	ZINC000541596150	340976828	/nfs/dbraw/zinc/97/68/28/340976828.db2.gz	IZWAFSZFERQKCJ-LPMVOBIJSA-N	0	3	323.481	2.566	20	30		DFEDHN
CC#CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000543669508	341053397	/nfs/dbraw/zinc/05/33/97/341053397.db2.gz	KZVHVULAZSPSQW-KRWDZBQOSA-N	0	3	312.457	2.859	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1ccccc1	ZINC000543820696	341060435	/nfs/dbraw/zinc/06/04/35/341060435.db2.gz	FJBKDHLMDWIXBC-KRWDZBQOSA-N	0	3	314.433	2.625	20	30		DFEDHN
COc1c(C)cc(CN(C)CCC(=O)N(C)CCC#N)cc1C	ZINC000131410674	341085159	/nfs/dbraw/zinc/08/51/59/341085159.db2.gz	OMRJKOIJTWBJNB-UHFFFAOYSA-N	0	3	317.433	2.506	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)C1	ZINC000133854036	341194183	/nfs/dbraw/zinc/19/41/83/341194183.db2.gz	BEDSRSVHPYKMFP-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1OC	ZINC000136842427	341268095	/nfs/dbraw/zinc/26/80/95/341268095.db2.gz	RHUBIDAJICPPGN-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C=CCOCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	ZINC000549343665	341291807	/nfs/dbraw/zinc/29/18/07/341291807.db2.gz	ZFBSIXPHHVGFSG-UHFFFAOYSA-N	0	3	314.429	2.746	20	30		DFEDHN
COc1ccc(OC)c(CCCNC[C@H](C#N)CCC#N)c1	ZINC000550598539	341319306	/nfs/dbraw/zinc/31/93/06/341319306.db2.gz	HUJDMHMJNMKTQI-AWEZNQCLSA-N	0	3	301.390	2.670	20	30		DFEDHN
N#CC1(C(=O)N2CCN(c3ccnc4ccccc43)CC2)CCC1	ZINC000552007143	341359549	/nfs/dbraw/zinc/35/95/49/341359549.db2.gz	KMCJLWLGFQNLRO-UHFFFAOYSA-N	0	3	320.396	2.577	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000247273485	341363055	/nfs/dbraw/zinc/36/30/55/341363055.db2.gz	JZQLEHCCSQLYRG-GOEBONIOSA-N	0	3	302.418	2.710	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000248442120	341378004	/nfs/dbraw/zinc/37/80/04/341378004.db2.gz	KPCGDWJPCHIUPN-UMVBOHGHSA-N	0	3	320.462	2.590	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000248701109	341384765	/nfs/dbraw/zinc/38/47/65/341384765.db2.gz	AFRGGFIXPARPMF-DOTOQJQBSA-N	0	3	311.429	2.707	20	30		DFEDHN
C=CCCCC[C@H](C)NC[C@H]1CS(=O)(=O)c2ccccc2O1	ZINC000564964783	341513899	/nfs/dbraw/zinc/51/38/99/341513899.db2.gz	CNLXBMJDSPWQCZ-GJZGRUSLSA-N	0	3	323.458	2.946	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CN)cc1	ZINC000564971067	341514180	/nfs/dbraw/zinc/51/41/80/341514180.db2.gz	IHYOZYYXKTXPKG-SFHVURJKSA-N	0	3	320.396	2.843	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)CC1	ZINC000566006274	341545151	/nfs/dbraw/zinc/54/51/51/341545151.db2.gz	SNODFQPYSFCAKB-ZWKOTPCHSA-N	0	3	313.445	2.801	20	30		DFEDHN
C=CCCC1(c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CC1	ZINC000574437555	341758573	/nfs/dbraw/zinc/75/85/73/341758573.db2.gz	AGIJEXHSJUTWLB-STQMWFEESA-N	0	3	300.406	2.923	20	30		DFEDHN
C#CCN1CCC(C(=O)NC(C)(C)CCc2ccccc2)CC1	ZINC000171314630	341775815	/nfs/dbraw/zinc/77/58/15/341775815.db2.gz	NRTLJBSIIOQHIL-UHFFFAOYSA-N	0	3	312.457	2.859	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)s1	ZINC000566115713	500723452	/nfs/dbraw/zinc/72/34/52/500723452.db2.gz	FXPRLLHSKWWEOG-VXGBXAGGSA-N	0	3	315.870	2.649	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000293802270	533793200	/nfs/dbraw/zinc/79/32/00/533793200.db2.gz	XTLFDDRQCVIRHC-ZNFPLGDCSA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CCN(C2CCC2)C1	ZINC000292333163	534400484	/nfs/dbraw/zinc/40/04/84/534400484.db2.gz	JZIFNNXIWLNANW-LBPRGKRZSA-N	0	3	303.431	2.566	20	30		DFEDHN
CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(C)C	ZINC000295845833	527765510	/nfs/dbraw/zinc/76/55/10/527765510.db2.gz	ATQIDLDUYWAXSU-WBMJQRKESA-N	0	3	305.397	2.851	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)nn1	ZINC000301966018	528682418	/nfs/dbraw/zinc/68/24/18/528682418.db2.gz	KJSGHFQRMYQISE-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000299384253	528959488	/nfs/dbraw/zinc/95/94/88/528959488.db2.gz	OYJDHUOYAFITIB-MRXNPFEDSA-N	0	3	314.385	2.802	20	30		DFEDHN
CCc1nccn1[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000246000823	536174517	/nfs/dbraw/zinc/17/45/17/536174517.db2.gz	JTEUWIZCVOCLEG-QZTJIDSGSA-N	0	3	324.428	2.688	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1	ZINC000357684298	536351551	/nfs/dbraw/zinc/35/15/51/536351551.db2.gz	KSNTXJWPXBQZKN-OAHLLOKOSA-N	0	3	302.378	2.999	20	30		DFEDHN
CO[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C	ZINC000251935627	536733117	/nfs/dbraw/zinc/73/31/17/536733117.db2.gz	UFZAJFFJVGBVFX-KBXCAEBGSA-N	0	3	324.428	2.816	20	30		DFEDHN
N#CC(C(=O)c1cccc(Nc2ncccn2)c1)c1ccncn1	ZINC000680618364	545519767	/nfs/dbraw/zinc/51/97/67/545519767.db2.gz	OULNJTXOLBOELD-CQSZACIVSA-N	0	3	316.324	2.500	20	30		DFEDHN
C=CCOCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1	ZINC000681054099	545589993	/nfs/dbraw/zinc/58/99/93/545589993.db2.gz	HOBDVRWRMXTGBA-SJORKVTESA-N	0	3	324.852	2.504	20	30		DFEDHN
C=CCCOCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000681689940	545699928	/nfs/dbraw/zinc/69/99/28/545699928.db2.gz	SRFDNXCBKRWDPY-IBGZPJMESA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCN1CC[C@H](N2Cc3ccccc3N(C)C[C@@H]2CC)C1=O	ZINC000685002139	546317464	/nfs/dbraw/zinc/31/74/64/546317464.db2.gz	WQHHTKIFSASXQW-WMZOPIPTSA-N	0	3	313.445	2.504	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCF)c1)c1ccc2ccccc2n1	ZINC000685143035	546328369	/nfs/dbraw/zinc/32/83/69/546328369.db2.gz	IDCROLAEEMEDIY-AWEZNQCLSA-N	0	3	308.316	2.891	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(C(F)F)CCCC2)CC1	ZINC000685190743	546328924	/nfs/dbraw/zinc/32/89/24/546328924.db2.gz	SYLIUEROKRXYON-UHFFFAOYSA-N	0	3	300.393	2.969	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824618596	607909708	/nfs/dbraw/zinc/90/97/08/607909708.db2.gz	PUMXZEVQBXSCQT-LBPRGKRZSA-N	0	3	304.357	2.589	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000278344410	214103570	/nfs/dbraw/zinc/10/35/70/214103570.db2.gz	MHYKSYLKNBHHDS-CGTJXYLNSA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CCOc1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1Cl	ZINC000278574066	214246260	/nfs/dbraw/zinc/24/62/60/214246260.db2.gz	FAOMBRFQYFPWDE-MLGOLLRUSA-N	0	3	311.809	2.534	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000079458052	185172475	/nfs/dbraw/zinc/17/24/75/185172475.db2.gz	RJRKTNAUAJHSID-GOSISDBHSA-N	0	3	316.445	2.923	20	30		DFEDHN
C=CCOc1ccccc1CNCCC(=O)Nc1ccccn1	ZINC000065977796	398353909	/nfs/dbraw/zinc/35/39/09/398353909.db2.gz	YPJGURWAOWTLLQ-UHFFFAOYSA-N	0	3	311.385	2.765	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N[C@H]3C[C@H](C)N(C4CC4)C3)c2c1	ZINC000591925666	398355669	/nfs/dbraw/zinc/35/56/69/398355669.db2.gz	KGISXRTZRVSJPB-JSGCOSHPSA-N	0	3	322.412	2.574	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N(C)C[C@@H]3CCCN3C)c2c1	ZINC000591951553	398361453	/nfs/dbraw/zinc/36/14/53/398361453.db2.gz	XQWTVGLJIILEJQ-AWEZNQCLSA-N	0	3	310.401	2.645	20	30		DFEDHN
N#Cc1cc(Cl)ccc1N1CCC(N2CCCOCC2)CC1	ZINC000596268549	398372214	/nfs/dbraw/zinc/37/22/14/398372214.db2.gz	LVHLYCDDAXSRTN-UHFFFAOYSA-N	0	3	319.836	2.903	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H]1CCCC[C@H]1C#N	ZINC000596280707	398375262	/nfs/dbraw/zinc/37/52/62/398375262.db2.gz	KBDLUJLSICLQKK-FZKCQIBNSA-N	0	3	306.454	2.631	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC[C@H](C)C1	ZINC000578743505	398375867	/nfs/dbraw/zinc/37/58/67/398375867.db2.gz	HGCZTTLJFDXANE-HOTGVXAUSA-N	0	3	320.481	2.832	20	30		DFEDHN
Cc1nc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2n1C	ZINC000578949080	398377081	/nfs/dbraw/zinc/37/70/81/398377081.db2.gz	QRZHIWZNCJQKFW-AWEZNQCLSA-N	0	3	319.368	2.779	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CNc2ccccc2Cl)CC1	ZINC000592071223	398380258	/nfs/dbraw/zinc/38/02/58/398380258.db2.gz	NPEFFXHUXCSZCJ-UHFFFAOYSA-N	0	3	321.852	2.909	20	30		DFEDHN
CN(Cc1ccncc1C#N)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000592084186	398380853	/nfs/dbraw/zinc/38/08/53/398380853.db2.gz	YUMCSYREENNGNZ-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
CCC[C@@H](Cc1ccccc1)N(CCC)CC(=O)NCC#N	ZINC000066498231	398380971	/nfs/dbraw/zinc/38/09/71/398380971.db2.gz	XKQLSRUJEPYWPH-KRWDZBQOSA-N	0	3	301.434	2.750	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181331598	199282725	/nfs/dbraw/zinc/28/27/25/199282725.db2.gz	PTLIUWGJGQZUKS-PBHICJAKSA-N	0	3	322.412	2.669	20	30		DFEDHN
C[C@@H]1CCn2ncc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2C1	ZINC000581011484	398387009	/nfs/dbraw/zinc/38/70/09/398387009.db2.gz	UJMIVVPVIZVXAM-NEPJUHHUSA-N	0	3	319.368	2.832	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccccc1	ZINC000272829276	210226675	/nfs/dbraw/zinc/22/66/75/210226675.db2.gz	HGZQBNKZCLMZBT-SJORKVTESA-N	0	3	307.459	2.588	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1CCCOC1	ZINC000592134946	398388893	/nfs/dbraw/zinc/38/88/93/398388893.db2.gz	VIZBOFGPBWISRN-NVXWUHKLSA-N	0	3	300.402	2.958	20	30		DFEDHN
N#CCCOCCN[C@H](c1ccccc1)C1(CO)CC=CC1	ZINC000592178042	398397378	/nfs/dbraw/zinc/39/73/78/398397378.db2.gz	VCOVFGPRUZVSFQ-QGZVFWFLSA-N	0	3	300.402	2.576	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2sccc2C#N)C1	ZINC000067207465	282273007	/nfs/dbraw/zinc/27/30/07/282273007.db2.gz	AKSKRXRDFGMZKU-AWEZNQCLSA-N	0	3	311.410	2.753	20	30		DFEDHN
CNC(=O)[C@]1(C(F)(F)F)CCN(CCCCC(C)(C)C#N)C1	ZINC000592183704	398398988	/nfs/dbraw/zinc/39/89/88/398398988.db2.gz	FRWCSTGDEZCRKK-AWEZNQCLSA-N	0	3	319.371	2.707	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000066942555	398408242	/nfs/dbraw/zinc/40/82/42/398408242.db2.gz	XBYXTUYLVJEKRX-HNNXBMFYSA-N	0	3	322.424	2.697	20	30		DFEDHN
N#Cc1ccc(CNCc2cccc(N3CCOC3=O)c2)cc1	ZINC000066974109	398411778	/nfs/dbraw/zinc/41/17/78/398411778.db2.gz	ZQGAPALGMPJNOH-UHFFFAOYSA-N	0	3	307.353	2.805	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(NCC(F)(F)F)c1	ZINC000584778782	398411388	/nfs/dbraw/zinc/41/13/88/398411388.db2.gz	ATGGFIXXOGQPPF-GFCCVEGCSA-N	0	3	314.311	2.620	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CCC1	ZINC000592345029	398413251	/nfs/dbraw/zinc/41/32/51/398413251.db2.gz	AASVKQAODKMZBV-CQSZACIVSA-N	0	3	305.809	2.857	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1	ZINC000067125500	398419112	/nfs/dbraw/zinc/41/91/12/398419112.db2.gz	WGQCYSJYPNZZJN-UHFFFAOYSA-N	0	3	306.793	2.632	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	ZINC000067266913	398425876	/nfs/dbraw/zinc/42/58/76/398425876.db2.gz	WAOCZLFSASUOCR-NVXWUHKLSA-N	0	3	304.434	2.695	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)NC2CCN(C)CC2)c1	ZINC000067320459	398429021	/nfs/dbraw/zinc/42/90/21/398429021.db2.gz	ZKCDXAJFDZMPRO-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
CCS[C@H]1CCC[C@@H](NCc2cnc3c(C#N)cnn3c2)C1	ZINC000592504203	398436438	/nfs/dbraw/zinc/43/64/38/398436438.db2.gz	QTSHZCWBIWTLPJ-CABCVRRESA-N	0	3	315.446	2.755	20	30		DFEDHN
COc1cc(CN2CC3(C[C@@H]2C)CCOCC3)ccc1C#N	ZINC000592529107	398443538	/nfs/dbraw/zinc/44/35/38/398443538.db2.gz	XNVXQRRNMRLJIQ-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
CC(C)(C)[C@H](O)C[C@@H](CO)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000585765546	398445997	/nfs/dbraw/zinc/44/59/97/398445997.db2.gz	PAZOMFPQXQYACU-RYQLBKOJSA-N	0	3	316.445	2.683	20	30		DFEDHN
COC[C@@H]1C[C@H](OC)CN1Cc1ccc(C(C)(C)C#N)cc1	ZINC000585790772	398447677	/nfs/dbraw/zinc/44/76/77/398447677.db2.gz	GGMHBMVJUNPDRR-IRXDYDNUSA-N	0	3	302.418	2.723	20	30		DFEDHN
Cc1ccc(C#N)c(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1	ZINC000286740723	219140436	/nfs/dbraw/zinc/14/04/36/219140436.db2.gz	QWSGEBSQUHWQCK-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000067704576	398451665	/nfs/dbraw/zinc/45/16/65/398451665.db2.gz	XICBHHMDDWQPIP-KRWDZBQOSA-N	0	3	301.434	2.981	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)c2ccc(CC#N)cc2)cc1	ZINC000089477293	398455445	/nfs/dbraw/zinc/45/54/45/398455445.db2.gz	FOGCKYISLFXDBX-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
N#CC1(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCC1	ZINC000586776520	398456889	/nfs/dbraw/zinc/45/68/89/398456889.db2.gz	VHWIBPNCMHCIMU-RCCFBDPRSA-N	0	3	323.440	2.817	20	30		DFEDHN
N#Cc1ccc(Cl)cc1NC1CCN([C@@H]2CCOC2)CC1	ZINC000089603383	398459156	/nfs/dbraw/zinc/45/91/56/398459156.db2.gz	RBISADKRXJJWAX-OAHLLOKOSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#Cc1cc(F)c(NC2CCN([C@H]3CCOC3)CC2)c(F)c1	ZINC000089602693	398459213	/nfs/dbraw/zinc/45/92/13/398459213.db2.gz	YRAHGJWWTHBXIB-ZDUSSCGKSA-N	0	3	307.344	2.502	20	30		DFEDHN
N#Cc1cccc(Cl)c1NC1CCN([C@H]2CCOC2)CC1	ZINC000089603307	398459448	/nfs/dbraw/zinc/45/94/48/398459448.db2.gz	BNWPUQCPAHXPLI-AWEZNQCLSA-N	0	3	305.809	2.877	20	30		DFEDHN
N#Cc1cc(NC2CCN([C@H]3CCOC3)CC2)c2ccccc2n1	ZINC000089603226	398459512	/nfs/dbraw/zinc/45/95/12/398459512.db2.gz	CTGVWNHPKNFXOX-INIZCTEOSA-N	0	3	322.412	2.772	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)c2nccn2C)CC1	ZINC000089925223	398469638	/nfs/dbraw/zinc/46/96/38/398469638.db2.gz	IERKUNZHFYGQPS-KBXCAEBGSA-N	0	3	324.428	2.798	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1	ZINC000090142584	398482739	/nfs/dbraw/zinc/48/27/39/398482739.db2.gz	RZRNHQTZBVWUMI-GOSISDBHSA-N	0	3	314.404	2.665	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1C=CCC1	ZINC000068310583	398493638	/nfs/dbraw/zinc/49/36/38/398493638.db2.gz	GWJVJKMOFDXBRI-INIZCTEOSA-N	0	3	311.429	2.805	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCN(C)C1	ZINC000596795601	398502988	/nfs/dbraw/zinc/50/29/88/398502988.db2.gz	FVLKIDCUDGREOX-GFCCVEGCSA-N	0	3	306.797	2.770	20	30		DFEDHN
Cc1ccc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)nc1C#N	ZINC000588829767	398510287	/nfs/dbraw/zinc/51/02/87/398510287.db2.gz	YGAMWCZPMLGHIK-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000308164921	398513058	/nfs/dbraw/zinc/51/30/58/398513058.db2.gz	GAOPBAMEMMXJTO-WMLDXEAASA-N	0	3	321.428	2.843	20	30		DFEDHN
N#Cc1cc(F)c(N2CCN3CCC[C@H]3C2)cc1Br	ZINC000311542854	398514817	/nfs/dbraw/zinc/51/48/17/398514817.db2.gz	YROQRZQVQZPPSV-NSHDSACASA-N	0	3	324.197	2.744	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596853340	398513954	/nfs/dbraw/zinc/51/39/54/398513954.db2.gz	JXDMXOJFHJVIML-NVXWUHKLSA-N	0	3	314.433	2.995	20	30		DFEDHN
N#CC1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1	ZINC000596867735	398518754	/nfs/dbraw/zinc/51/87/54/398518754.db2.gz	ZWSORWFICIRGBI-INIZCTEOSA-N	0	3	318.465	2.730	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@](C)(c2cccc(F)c2)C1	ZINC000593040869	398528707	/nfs/dbraw/zinc/52/87/07/398528707.db2.gz	NDMXVANJYPUIKR-SFHVURJKSA-N	0	3	317.408	2.551	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000091506502	398534343	/nfs/dbraw/zinc/53/43/43/398534343.db2.gz	MWTVMLCCPNFQKO-MSOLQXFVSA-N	0	3	321.509	2.750	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H](O)C2CC2)cc1OCCCC#N	ZINC000589196926	398536250	/nfs/dbraw/zinc/53/62/50/398536250.db2.gz	ODFRFWPQEPCZNL-MRXNPFEDSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc(C)cc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c1	ZINC000319674586	398543668	/nfs/dbraw/zinc/54/36/68/398543668.db2.gz	DJCZPEJAPPNHOR-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
CC(=O)NCC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1	ZINC000597001107	398544297	/nfs/dbraw/zinc/54/42/97/398544297.db2.gz	PWOXSPYVGZZUIK-UHFFFAOYSA-N	0	3	311.429	2.590	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000589332299	398546439	/nfs/dbraw/zinc/54/64/39/398546439.db2.gz	APYKFHWMZKUDJO-YOEHRIQHSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc(C#N)n2)C1	ZINC000589332295	398546486	/nfs/dbraw/zinc/54/64/86/398546486.db2.gz	APYKFHWMZKUDJO-RHSMWYFYSA-N	0	3	320.396	2.519	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(C(=O)C3CCCC3)C1)CC2	ZINC000589341843	398547386	/nfs/dbraw/zinc/54/73/86/398547386.db2.gz	ALEDFWFQTDAGHP-IEBWSBKVSA-N	0	3	323.440	2.926	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1csnc1C)C(C)C	ZINC000181998714	199372498	/nfs/dbraw/zinc/37/24/98/199372498.db2.gz	NGFGOFLDMCOXQT-OAHLLOKOSA-N	0	3	307.463	2.880	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21	ZINC000593126368	398553442	/nfs/dbraw/zinc/55/34/42/398553442.db2.gz	UETHGUZJBUCKCX-BZSNNMDCSA-N	0	3	300.402	2.911	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1csnc1C)C(C)C	ZINC000181998694	199372742	/nfs/dbraw/zinc/37/27/42/199372742.db2.gz	NGFGOFLDMCOXQT-HNNXBMFYSA-N	0	3	307.463	2.880	20	30		DFEDHN
C=CCOc1ccccc1CN(C)C[C@H]1CCN(C(C)=O)C1	ZINC000092100901	398558949	/nfs/dbraw/zinc/55/89/49/398558949.db2.gz	LHDVGMZRERFWKZ-MRXNPFEDSA-N	0	3	302.418	2.552	20	30		DFEDHN
CC1(C)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CCS1	ZINC000279807313	215165353	/nfs/dbraw/zinc/16/53/53/215165353.db2.gz	XFCDOGIOQRYYFJ-OAHLLOKOSA-N	0	3	320.458	2.515	20	30		DFEDHN
Cn1cc([C@@H]2OCCC[C@H]2CN2CCC(C)(C#N)CC2)cn1	ZINC000597079526	398562107	/nfs/dbraw/zinc/56/21/07/398562107.db2.gz	CAEVOWKVPTVUHK-GOEBONIOSA-N	0	3	302.422	2.513	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1	ZINC000069356194	398566369	/nfs/dbraw/zinc/56/63/69/398566369.db2.gz	LMNQKSLFKGPEEG-CQSZACIVSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)Cc1ccccc1C(F)(F)F	ZINC000280948703	334967756	/nfs/dbraw/zinc/96/77/56/334967756.db2.gz	TVIGDNHUOYQGIH-LLVKDONJSA-N	0	3	300.324	2.528	20	30		DFEDHN
CCCN(CCN1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000589647736	398568935	/nfs/dbraw/zinc/56/89/35/398568935.db2.gz	XDVZVONKBBNWRW-DLBZAZTESA-N	0	3	320.481	2.976	20	30		DFEDHN
CC(=O)Nc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000041574297	398569643	/nfs/dbraw/zinc/56/96/43/398569643.db2.gz	JXGJFWPBKXIDLM-OAHLLOKOSA-N	0	3	308.341	2.542	20	30		DFEDHN
COC(=O)c1ccccc1OCCN(C)Cc1ccc(C#N)cc1	ZINC000182017258	199375106	/nfs/dbraw/zinc/37/51/06/199375106.db2.gz	JKXZQDASVGZHLG-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(CN(C)C)c1	ZINC000279912695	215230610	/nfs/dbraw/zinc/23/06/10/215230610.db2.gz	PUBMXMFMFUNNJR-IAGOWNOFSA-N	0	3	302.418	2.976	20	30		DFEDHN
N#CC[C@@H]1CCCN(Cc2ccc(O[C@H]3CCOC3)cc2)C1	ZINC000597177973	398583401	/nfs/dbraw/zinc/58/34/01/398583401.db2.gz	SSXRHKVVWCDRKN-YJBOKZPZSA-N	0	3	300.402	2.980	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCC[C@H]1C#N	ZINC000597195626	398587278	/nfs/dbraw/zinc/58/72/78/398587278.db2.gz	LNBXELGMKYZBDG-YHUYYLMFSA-N	0	3	302.422	2.560	20	30		DFEDHN
N#C[C@H]1CCCC[C@@H]1NC1CCN(C(=O)c2ccoc2)CC1	ZINC000597199663	398588202	/nfs/dbraw/zinc/58/82/02/398588202.db2.gz	VNWPOWWZEHZLHB-CJNGLKHVSA-N	0	3	301.390	2.556	20	30		DFEDHN
C=CCC1(NCc2cc(C(=O)OC)c(CC)o2)CCOCC1	ZINC000597206280	398589830	/nfs/dbraw/zinc/58/98/30/398589830.db2.gz	OEHFVSVAFPBQMN-UHFFFAOYSA-N	0	3	307.390	2.844	20	30		DFEDHN
CN1C[C@H]2CCN(Cc3ccc(C#N)cc3C(F)(F)F)[C@H]2C1	ZINC000590052701	398592553	/nfs/dbraw/zinc/59/25/53/398592553.db2.gz	GSPKMHKFOBHQMZ-HIFRSBDPSA-N	0	3	309.335	2.713	20	30		DFEDHN
CN1CCC[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000590071967	398594897	/nfs/dbraw/zinc/59/48/97/398594897.db2.gz	SQBJHCAFOXTYIM-SJORKVTESA-N	0	3	314.433	2.815	20	30		DFEDHN
N#CC1(CC(=O)NCc2ccccc2CN2CCCCC2)CC1	ZINC000590132295	398599569	/nfs/dbraw/zinc/59/95/69/398599569.db2.gz	UPHOZUUJZKEAGK-UHFFFAOYSA-N	0	3	311.429	2.983	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1(C#N)CC1	ZINC000590271806	398608752	/nfs/dbraw/zinc/60/87/52/398608752.db2.gz	GENVGCUAVHMEGW-INIZCTEOSA-N	0	3	311.429	2.803	20	30		DFEDHN
CN(C)CCN(CCCc1ccccc1)C(=O)CC1(C#N)CC1	ZINC000590186359	398604004	/nfs/dbraw/zinc/60/40/04/398604004.db2.gz	WPSGPNYNFVFPEB-UHFFFAOYSA-N	0	3	313.445	2.703	20	30		DFEDHN
C[C@@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1	ZINC000597260315	398610188	/nfs/dbraw/zinc/61/01/88/398610188.db2.gz	CVNIDUWWXMMTKQ-NSHDSACASA-N	0	3	309.797	2.769	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C(=O)NC1CC1)c1ccccc1	ZINC000280696148	334969744	/nfs/dbraw/zinc/96/97/44/334969744.db2.gz	RYEBKQULTKIYBM-SZMVWBNQSA-N	0	3	314.429	2.577	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CC1(C#N)CC1	ZINC000590330487	398614590	/nfs/dbraw/zinc/61/45/90/398614590.db2.gz	MBNHADHVPFQABE-KRWDZBQOSA-N	0	3	313.445	2.953	20	30		DFEDHN
C[C@H](CC#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000597290365	398615091	/nfs/dbraw/zinc/61/50/91/398615091.db2.gz	MHLVXPLYFBCNFC-NFAWXSAZSA-N	0	3	305.447	2.797	20	30		DFEDHN
Cc1cccc(NC2CCN(CCCSCC#N)CC2)n1	ZINC000072519412	398618296	/nfs/dbraw/zinc/61/82/96/398618296.db2.gz	OPEUSDYHPFKPRL-UHFFFAOYSA-N	0	3	304.463	2.913	20	30		DFEDHN
CC[C@H](C#N)C(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000593422576	398624526	/nfs/dbraw/zinc/62/45/26/398624526.db2.gz	OIAODYLGTLPFJW-QGZVFWFLSA-N	0	3	301.434	2.559	20	30		DFEDHN
N#CC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCC1	ZINC000593431035	398625884	/nfs/dbraw/zinc/62/58/84/398625884.db2.gz	SWHOXGHWUJPRHS-UHFFFAOYSA-N	0	3	318.465	2.730	20	30		DFEDHN
Cc1cc(C#N)nc(N(C)C2CCN(Cc3ccccc3)CC2)n1	ZINC000287148747	219343270	/nfs/dbraw/zinc/34/32/70/219343270.db2.gz	GCLRIGBUWWKBJE-UHFFFAOYSA-N	0	3	321.428	2.758	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](CC3CC3)C2)cc1	ZINC000590524471	398629300	/nfs/dbraw/zinc/62/93/00/398629300.db2.gz	ZVXJAIXLSMBRAG-MSOLQXFVSA-N	0	3	307.397	2.889	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000593483999	398643379	/nfs/dbraw/zinc/64/33/79/398643379.db2.gz	KOGMUBRUHOBUPW-IPYPFGDCSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccnc(F)c1F)C(C)C	ZINC000280825766	334971527	/nfs/dbraw/zinc/97/15/27/334971527.db2.gz	IDSXFFXYAQMUSU-CQSZACIVSA-N	0	3	323.387	2.788	20	30		DFEDHN
N#Cc1ccncc1NCC1(N2CCSCC2)CCCC1	ZINC000094135392	398654320	/nfs/dbraw/zinc/65/43/20/398654320.db2.gz	VYTBLADASVUBOW-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1	ZINC000171891704	198002605	/nfs/dbraw/zinc/00/26/05/198002605.db2.gz	NKXQSHDNQNXCJN-OAHLLOKOSA-N	0	3	301.390	2.563	20	30		DFEDHN
CC1CC(C#N)(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1	ZINC000381078760	398659960	/nfs/dbraw/zinc/65/99/60/398659960.db2.gz	SAIIJVXEXWZTFD-QZDWLRDRSA-N	0	3	311.429	2.705	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CSc3ccccc32)CC1	ZINC000172380226	198088616	/nfs/dbraw/zinc/08/86/16/198088616.db2.gz	TVTILYIRNLYTNU-HNNXBMFYSA-N	0	3	302.443	2.643	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)C2(C#N)CCC2)CCC1	ZINC000386619497	398664640	/nfs/dbraw/zinc/66/46/40/398664640.db2.gz	DAUAUZANFDNMIY-UHFFFAOYSA-N	0	3	311.429	2.851	20	30		DFEDHN
COc1cc(CNC[C@]2(CO)CCc3ccccc32)ccc1C#N	ZINC000593652541	398666129	/nfs/dbraw/zinc/66/61/29/398666129.db2.gz	GOWDELXIRQHPIO-FQEVSTJZSA-N	0	3	322.408	2.533	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)CCc3ccccc32)cc1F	ZINC000593653218	398666153	/nfs/dbraw/zinc/66/61/53/398666153.db2.gz	WNGGQLMNOBTREK-LJQANCHMSA-N	0	3	310.372	2.663	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NCc1cccc(OCCN(C)C)c1	ZINC000281110251	334973414	/nfs/dbraw/zinc/97/34/14/334973414.db2.gz	ZCVADJXGCJVFCV-MRXNPFEDSA-N	0	3	319.449	2.781	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000390784150	398672327	/nfs/dbraw/zinc/67/23/27/398672327.db2.gz	MPWWUJBBMBHMLG-OAHLLOKOSA-N	0	3	301.434	2.953	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000391005467	398674607	/nfs/dbraw/zinc/67/46/07/398674607.db2.gz	WNDOVMRMBTZWCE-IRXDYDNUSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000593708954	398675621	/nfs/dbraw/zinc/67/56/21/398675621.db2.gz	UDBYJQIKWVGQMR-PBHICJAKSA-N	0	3	317.433	2.742	20	30		DFEDHN
C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccncn1	ZINC000593724647	398678187	/nfs/dbraw/zinc/67/81/87/398678187.db2.gz	FCSMWEFIVYASEP-HNNXBMFYSA-N	0	3	321.428	2.663	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)Nc1ccc3c(c1)CNCC3)C2	ZINC000593761534	398682955	/nfs/dbraw/zinc/68/29/55/398682955.db2.gz	RRGHBXJALYWEHS-UHFFFAOYSA-N	0	3	318.380	2.752	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(CCC)s2)CC1	ZINC000173579752	198229452	/nfs/dbraw/zinc/22/94/52/198229452.db2.gz	WZIKTSPLLCVCQE-UHFFFAOYSA-N	0	3	307.463	2.866	20	30		DFEDHN
CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCOC1	ZINC000593816276	398692681	/nfs/dbraw/zinc/69/26/81/398692681.db2.gz	VYCJVPCGZCLEIG-IAGOWNOFSA-N	0	3	300.402	2.786	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2	ZINC000174029771	198283490	/nfs/dbraw/zinc/28/34/90/198283490.db2.gz	FCFMSUGXKULWEL-CZUORRHYSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](Cc1nc(C)no1)c1ccccc1	ZINC000277126703	213312172	/nfs/dbraw/zinc/31/21/72/213312172.db2.gz	IELGNFJYXOUKAW-CVEARBPZSA-N	0	3	301.390	2.579	20	30		DFEDHN
C=CC[C@H](CO)CNCc1cn(-c2cccc(F)c2)nc1C	ZINC000414360850	398698694	/nfs/dbraw/zinc/69/86/94/398698694.db2.gz	AZNFYAFBGULFKP-AWEZNQCLSA-N	0	3	303.381	2.594	20	30		DFEDHN
N#Cc1ccc(CNCCc2cc(Cl)c3c(c2)OCCO3)o1	ZINC000174252545	198311451	/nfs/dbraw/zinc/31/14/51/198311451.db2.gz	GWVQKNYOLXFMSD-UHFFFAOYSA-N	0	3	318.760	2.908	20	30		DFEDHN
COc1ccccc1N1CC[C@H](CNCc2ccc(C#N)o2)C1	ZINC000174327655	198320004	/nfs/dbraw/zinc/32/00/04/198320004.db2.gz	KQFGNFLYOSXNGG-CQSZACIVSA-N	0	3	311.385	2.776	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2ccccc2n1CC#N	ZINC000597858561	398705099	/nfs/dbraw/zinc/70/50/99/398705099.db2.gz	NEAHSCSATWZCJF-HNNXBMFYSA-N	0	3	324.428	2.767	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CCc2ccc(Cl)cc21	ZINC000593914280	398703178	/nfs/dbraw/zinc/70/31/78/398703178.db2.gz	HWDMJCCSGPCBSX-WBMJQRKESA-N	0	3	319.836	2.849	20	30		DFEDHN
COc1ccc(CCNCc2ccc(C#N)o2)c(OC)c1OC	ZINC000174342913	198322494	/nfs/dbraw/zinc/32/24/94/198322494.db2.gz	UEYNXEMKDLQPPV-UHFFFAOYSA-N	0	3	316.357	2.509	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(F)cccc2NC2CC2)CC1	ZINC000174504092	198342464	/nfs/dbraw/zinc/34/24/64/198342464.db2.gz	DFBBGKLDBYCVOR-UHFFFAOYSA-N	0	3	315.392	2.684	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000597891942	398714539	/nfs/dbraw/zinc/71/45/39/398714539.db2.gz	QVQATKOYSCEPOP-UHFFFAOYSA-N	0	3	307.397	2.592	20	30		DFEDHN
CN1CCC[C@@H](N2CCN(CCC3(C#N)CCCCC3)CC2)C1	ZINC000591019579	398715585	/nfs/dbraw/zinc/71/55/85/398715585.db2.gz	SMMBZECOIGJKCU-GOSISDBHSA-N	0	3	318.509	2.562	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1	ZINC000046721230	398715649	/nfs/dbraw/zinc/71/56/49/398715649.db2.gz	GGQNHWOJFJLSPI-UHFFFAOYSA-N	0	3	309.369	2.751	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CCC2)C1	ZINC000591061971	398720574	/nfs/dbraw/zinc/72/05/74/398720574.db2.gz	PXMNWCYQFUUJCH-GDBMZVCRSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C2CCC2)C1	ZINC000591061973	398720325	/nfs/dbraw/zinc/72/03/25/398720325.db2.gz	PXMNWCYQFUUJCH-HOCLYGCPSA-N	0	3	303.450	2.840	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C#N)cc2)cc1	ZINC000046835921	398720369	/nfs/dbraw/zinc/72/03/69/398720369.db2.gz	WERTWDUYZHVWPD-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000597922646	398721374	/nfs/dbraw/zinc/72/13/74/398721374.db2.gz	JWCAEDPMCUUYKD-YESZJQIVSA-N	0	3	311.429	2.651	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2ccc(C#N)cc2OC)CC1	ZINC000594021300	398723941	/nfs/dbraw/zinc/72/39/41/398723941.db2.gz	SNENVDHIANDSKW-UHFFFAOYSA-N	0	3	301.434	2.873	20	30		DFEDHN
CN1CCC(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000074220467	398732426	/nfs/dbraw/zinc/73/24/26/398732426.db2.gz	MROVYMZGHCOBCX-ROUUACIJSA-N	0	3	311.429	2.627	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1CC1CCCC1)C1CC1	ZINC000594052046	398733005	/nfs/dbraw/zinc/73/30/05/398733005.db2.gz	CYGAZWZPINZCLV-AEFFLSMTSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@H]1CC1CCCC1)C1CC1	ZINC000594052048	398733307	/nfs/dbraw/zinc/73/33/07/398733307.db2.gz	CYGAZWZPINZCLV-FUHWJXTLSA-N	0	3	303.450	2.840	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000597996204	398734978	/nfs/dbraw/zinc/73/49/78/398734978.db2.gz	ZAWPHNQLIIIFDX-SNVBAGLBSA-N	0	3	312.200	2.802	20	30		DFEDHN
CC(C#N)C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCCOC1	ZINC000598016261	398737691	/nfs/dbraw/zinc/73/76/91/398737691.db2.gz	JSIBXTSCWUZUOK-WBMJQRKESA-N	0	3	306.793	2.708	20	30		DFEDHN
CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCN(CC)C1	ZINC000598042821	398742739	/nfs/dbraw/zinc/74/27/39/398742739.db2.gz	YSCOMNXSQBKUFP-FGTMMUONSA-N	0	3	311.429	2.604	20	30		DFEDHN
CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCN(CC)C1	ZINC000598042823	398742473	/nfs/dbraw/zinc/74/24/73/398742473.db2.gz	YSCOMNXSQBKUFP-OKZBNKHCSA-N	0	3	311.429	2.604	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl	ZINC000594195159	398762529	/nfs/dbraw/zinc/76/25/29/398762529.db2.gz	CMWMDTNVQGPXBF-HZPDHXFCSA-N	0	3	317.820	2.958	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1	ZINC000594195311	398762969	/nfs/dbraw/zinc/76/29/69/398762969.db2.gz	FFSMSXRAEXISDR-WJFTUGDTSA-N	0	3	323.440	2.795	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594195979	398762994	/nfs/dbraw/zinc/76/29/94/398762994.db2.gz	JRPIIJIHUHCOBV-HOTGVXAUSA-N	0	3	317.820	2.958	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1	ZINC000081064207	192222705	/nfs/dbraw/zinc/22/27/05/192222705.db2.gz	BXKKSFUABHTFEE-JKSUJKDBSA-N	0	3	315.417	2.952	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594211982	398766902	/nfs/dbraw/zinc/76/69/02/398766902.db2.gz	JXRWHLUJEVIXRS-KRWDZBQOSA-N	0	3	314.433	2.560	20	30		DFEDHN
CC(C)c1nc2cc(NC(=O)[C@H](N)CCCC#N)ccc2o1	ZINC000591596433	398774539	/nfs/dbraw/zinc/77/45/39/398774539.db2.gz	PNIZWVAZVJKXJU-GFCCVEGCSA-N	0	3	300.362	2.911	20	30		DFEDHN
C[C@@]1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000598221772	398774131	/nfs/dbraw/zinc/77/41/31/398774131.db2.gz	WTCAKDLXNCDZSI-GDBMZVCRSA-N	0	3	317.339	2.792	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCNC1	ZINC000591598748	398775227	/nfs/dbraw/zinc/77/52/27/398775227.db2.gz	TWDJGPYZLFCLGR-SFHVURJKSA-N	0	3	322.368	2.661	20	30		DFEDHN
Cc1csc(-c2ccc(NC(=O)[C@@]3(C#N)CCNC3)cc2)n1	ZINC000591604140	398775553	/nfs/dbraw/zinc/77/55/53/398775553.db2.gz	FFRNOOMXORZKQX-MRXNPFEDSA-N	0	3	312.398	2.560	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](CCF)C2)cc1	ZINC000598229727	398775698	/nfs/dbraw/zinc/77/56/98/398775698.db2.gz	SOEZRBCSEHSBBU-DLBZAZTESA-N	0	3	313.376	2.839	20	30		DFEDHN
CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000594257923	398776257	/nfs/dbraw/zinc/77/62/57/398776257.db2.gz	SNLWDXZJMULYFO-IEBWSBKVSA-N	0	3	313.445	2.953	20	30		DFEDHN
CCCCN(Cc1ccccc1Cl)C(=O)[C@@]1(C#N)CCNC1	ZINC000591606524	398776284	/nfs/dbraw/zinc/77/62/84/398776284.db2.gz	WNRCCTROWJGBHJ-QGZVFWFLSA-N	0	3	319.836	2.972	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCNC1	ZINC000591619721	398776924	/nfs/dbraw/zinc/77/69/24/398776924.db2.gz	GAUROROHMIOQGP-AWEZNQCLSA-N	0	3	311.307	2.623	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CN(C)C	ZINC000594280519	398779136	/nfs/dbraw/zinc/77/91/36/398779136.db2.gz	MJIJKHVFQLPZKJ-YJBOKZPZSA-N	0	3	313.445	2.680	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@@H]1CCC(C)(C)c2ccccc21	ZINC000591728131	398782567	/nfs/dbraw/zinc/78/25/67/398782567.db2.gz	FJFIPDKQKFWXPN-CRAIPNDOSA-N	0	3	315.461	2.595	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)ccn1	ZINC000594362153	398786997	/nfs/dbraw/zinc/78/69/97/398786997.db2.gz	ZKMZSWISLGCWGK-UHFFFAOYSA-N	0	3	309.373	2.623	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NCCC(=O)Nc1cccnc1	ZINC000591764282	398785680	/nfs/dbraw/zinc/78/56/80/398785680.db2.gz	CZQGBVMXDSHYPB-KRWDZBQOSA-N	0	3	306.369	2.559	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC(C)CC1)c1ccc(C#N)cc1	ZINC000049203330	398792765	/nfs/dbraw/zinc/79/27/65/398792765.db2.gz	FUAOTQLUUOOXNY-OAHLLOKOSA-N	0	3	314.433	2.650	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1	ZINC000591851610	398795267	/nfs/dbraw/zinc/79/52/67/398795267.db2.gz	FMQMIXFFMKYUBP-KRWDZBQOSA-N	0	3	309.417	2.916	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F	ZINC000594425749	398797900	/nfs/dbraw/zinc/79/79/00/398797900.db2.gz	BQNGRIWBMNBKQQ-STQMWFEESA-N	0	3	313.323	2.817	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCSCc1ccccc1F	ZINC000594425427	398798053	/nfs/dbraw/zinc/79/80/53/398798053.db2.gz	IUJVUEMJNVJIQI-OAHLLOKOSA-N	0	3	323.437	2.586	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccccc1C(F)(F)F	ZINC000594427217	398798845	/nfs/dbraw/zinc/79/88/45/398798845.db2.gz	HGGJVOOHUIHVBH-ZDUSSCGKSA-N	0	3	313.323	2.733	20	30		DFEDHN
CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594431293	398799510	/nfs/dbraw/zinc/79/95/10/398799510.db2.gz	LCTHRHPMFOMYBU-LBPRGKRZSA-N	0	3	322.796	2.648	20	30		DFEDHN
Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H](N)CCCCC#N)c1	ZINC000594432727	398800702	/nfs/dbraw/zinc/80/07/02/398800702.db2.gz	GAMFFJRRBXCOJR-RDJZCZTQSA-N	0	3	301.434	2.762	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl	ZINC000594432032	398800379	/nfs/dbraw/zinc/80/03/79/398800379.db2.gz	VRAIXTDWZWBZSH-HUUCEWRRSA-N	0	3	305.809	2.855	20	30		DFEDHN
CCC(CC)c1cc(CNC(=O)[C@@H](N)CCCCC#N)on1	ZINC000594432453	398800463	/nfs/dbraw/zinc/80/04/63/398800463.db2.gz	ANBHYLCFWPWQFI-AWEZNQCLSA-N	0	3	306.410	2.606	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2ccc(F)cc21	ZINC000594431870	398800485	/nfs/dbraw/zinc/80/04/85/398800485.db2.gz	RLWXUKKRSHPTTN-HUUCEWRRSA-N	0	3	319.380	2.567	20	30		DFEDHN
CC(C)c1ccccc1OCCNC(=O)[C@@H](N)CCCCC#N	ZINC000594433835	398801193	/nfs/dbraw/zinc/80/11/93/398801193.db2.gz	HVZQZYDNLUWOHG-INIZCTEOSA-N	0	3	317.433	2.716	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1	ZINC000594434869	398801373	/nfs/dbraw/zinc/80/13/73/398801373.db2.gz	VEPNYNHHIDWGHP-CQSZACIVSA-N	0	3	305.809	2.857	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F	ZINC000594435046	398801530	/nfs/dbraw/zinc/80/15/30/398801530.db2.gz	ZQLSKPNQVQOLPG-NHYWBVRUSA-N	0	3	309.360	2.596	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1	ZINC000050024836	398801932	/nfs/dbraw/zinc/80/19/32/398801932.db2.gz	QSLUWJQBWZRCHJ-ZDUSSCGKSA-N	0	3	304.821	2.862	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N1CCC(c2ccsc2)CC1	ZINC000594437468	398802052	/nfs/dbraw/zinc/80/20/52/398802052.db2.gz	NNZOQTRGCTUJHI-HNNXBMFYSA-N	0	3	305.447	2.865	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)c1cccnc1	ZINC000594438604	398802129	/nfs/dbraw/zinc/80/21/29/398802129.db2.gz	OSOYXSWGSCJKLI-QZTJIDSGSA-N	0	3	322.412	2.698	20	30		DFEDHN
CCc1nc(C)c([C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N)s1	ZINC000594440041	398803248	/nfs/dbraw/zinc/80/32/48/398803248.db2.gz	YPXNVEUFBLYPLY-CHWSQXEVSA-N	0	3	322.478	2.945	20	30		DFEDHN
CN(C)c1c(Cl)cccc1NC(=O)[C@H](N)CCCCC#N	ZINC000594440428	398803275	/nfs/dbraw/zinc/80/32/75/398803275.db2.gz	CEWGJYAGLGRNIL-GFCCVEGCSA-N	0	3	308.813	2.756	20	30		DFEDHN
CCn1c2ccc(F)cc2nc1NC(=O)[C@H](N)CCCCC#N	ZINC000594442418	398803335	/nfs/dbraw/zinc/80/33/35/398803335.db2.gz	FRXAASOGGMGKJU-GFCCVEGCSA-N	0	3	317.368	2.545	20	30		DFEDHN
CC(C)Oc1cccc(CN(C)C(=O)[C@@H](N)CCCCC#N)c1	ZINC000594442470	398803358	/nfs/dbraw/zinc/80/33/58/398803358.db2.gz	GUZLNEDYPDLQGM-KRWDZBQOSA-N	0	3	317.433	2.843	20	30		DFEDHN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H](N)CCCCC#N	ZINC000594446277	398804633	/nfs/dbraw/zinc/80/46/33/398804633.db2.gz	RRGKSTUNTAWRHG-UKPHBRMFSA-N	0	3	317.408	2.941	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(Cc2ccccc2)CCC1	ZINC000594446879	398804762	/nfs/dbraw/zinc/80/47/62/398804762.db2.gz	YWOSXMGLEOOBER-QGZVFWFLSA-N	0	3	313.445	2.927	20	30		DFEDHN
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000594445564	398804903	/nfs/dbraw/zinc/80/49/03/398804903.db2.gz	HVHZAIVNCMJWEJ-DLBZAZTESA-N	0	3	319.424	2.920	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2cccc(F)c2)CCC1	ZINC000594450196	398805362	/nfs/dbraw/zinc/80/53/62/398805362.db2.gz	UAYYVWGOVCXPDR-HNNXBMFYSA-N	0	3	303.381	2.732	20	30		DFEDHN
CC1(C)CN(C(=O)[C@H](N)CCCCC#N)c2cc(F)ccc21	ZINC000594451721	398805774	/nfs/dbraw/zinc/80/57/74/398805774.db2.gz	BYEDIWAMSGWVKB-CQSZACIVSA-N	0	3	303.381	2.861	20	30		DFEDHN
CC(C)(CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCCC1	ZINC000151212482	283278565	/nfs/dbraw/zinc/27/85/65/283278565.db2.gz	IYDSYOGBHFTGJQ-UHFFFAOYSA-N	0	3	321.371	2.831	20	30		DFEDHN
CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)Cc1ccsc1	ZINC000594456817	398806639	/nfs/dbraw/zinc/80/66/39/398806639.db2.gz	RZHWWPWSCYZHEV-HIFRSBDPSA-N	0	3	307.463	2.939	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1	ZINC000594506612	398812217	/nfs/dbraw/zinc/81/22/17/398812217.db2.gz	DHBXVDDYFUXUDK-IRXDYDNUSA-N	0	3	311.429	2.731	20	30		DFEDHN
N#Cc1ccccc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1	ZINC000179500038	199046101	/nfs/dbraw/zinc/04/61/01/199046101.db2.gz	BEDVIPKMPXARON-MRXNPFEDSA-N	0	3	307.401	2.933	20	30		DFEDHN
N#Cc1ccccc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	ZINC000179500038	199046103	/nfs/dbraw/zinc/04/61/03/199046103.db2.gz	BEDVIPKMPXARON-MRXNPFEDSA-N	0	3	307.401	2.933	20	30		DFEDHN
C[S@@](=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CCC1	ZINC000594518319	398815616	/nfs/dbraw/zinc/81/56/16/398815616.db2.gz	GFGMZUIZSOKKAY-OAQYLSRUSA-N	0	3	304.459	2.879	20	30		DFEDHN
CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1	ZINC000051401222	398822038	/nfs/dbraw/zinc/82/20/38/398822038.db2.gz	SSCAAMYNLDWMJC-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594596969	398827583	/nfs/dbraw/zinc/82/75/83/398827583.db2.gz	BQCNBGSXZQFYTL-ZIAGYGMSSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1c(NC[C@@H]2CCCN2CCCO)cccc1C(F)F	ZINC000594581053	398823811	/nfs/dbraw/zinc/82/38/11/398823811.db2.gz	IHUFGMGBORRWPT-LBPRGKRZSA-N	0	3	309.360	2.755	20	30		DFEDHN
CCC(C#N)C(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccccc1	ZINC000598504641	398825233	/nfs/dbraw/zinc/82/52/33/398825233.db2.gz	IOVXLWNAJWJPRN-UGSOOPFHSA-N	0	3	316.401	2.909	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594604405	398829930	/nfs/dbraw/zinc/82/99/30/398829930.db2.gz	YZKSGGMZIWNPFO-HOTGVXAUSA-N	0	3	300.362	2.895	20	30		DFEDHN
CC(C)(C)[C@H](N)c1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1	ZINC000594646383	398836397	/nfs/dbraw/zinc/83/63/97/398836397.db2.gz	ZYFRLPNMAHXSJL-GFCCVEGCSA-N	0	3	324.310	2.599	20	30		DFEDHN
CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1OCCc2ccccc21	ZINC000598589299	398836575	/nfs/dbraw/zinc/83/65/75/398836575.db2.gz	HVPMWVCKXWIQDQ-NVXWUHKLSA-N	0	3	302.418	2.533	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)CC(C)(C)C#N	ZINC000598587681	398836647	/nfs/dbraw/zinc/83/66/47/398836647.db2.gz	STCYZZGGJUVVBR-HNNXBMFYSA-N	0	3	320.433	2.826	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN(CCc1ccccc1)[C@@H]1CCOC1	ZINC000598592929	398838033	/nfs/dbraw/zinc/83/80/33/398838033.db2.gz	NUAAGJVBYGCGGU-MSOLQXFVSA-N	0	3	316.445	2.621	20	30		DFEDHN
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598622386	398842867	/nfs/dbraw/zinc/84/28/67/398842867.db2.gz	JKMGSAMEULTLNB-LSDHHAIUSA-N	0	3	324.465	2.873	20	30		DFEDHN
COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000598614065	398841577	/nfs/dbraw/zinc/84/15/77/398841577.db2.gz	NMIFSUQZKNTLQA-GJZGRUSLSA-N	0	3	310.825	2.918	20	30		DFEDHN
C[C@@H]1CN(c2cccc(F)c2)CCN1C[C@H](O)CC(C)(C)C#N	ZINC000598616435	398841773	/nfs/dbraw/zinc/84/17/73/398841773.db2.gz	AORDBFINEHBMNP-RHSMWYFYSA-N	0	3	319.424	2.637	20	30		DFEDHN
Cc1cc(C)cc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1	ZINC000594715957	398847938	/nfs/dbraw/zinc/84/79/38/398847938.db2.gz	FEYDFHFGCDMTJL-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
C=CCSCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1	ZINC000180458324	199161324	/nfs/dbraw/zinc/16/13/24/199161324.db2.gz	WYWABKPVAWFJBM-NSHDSACASA-N	0	3	317.451	2.799	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC2CCCC2)nc1	ZINC000598715286	398860081	/nfs/dbraw/zinc/86/00/81/398860081.db2.gz	NXUJSLAEPNFGGH-OAHLLOKOSA-N	0	3	317.433	2.793	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2c(F)cccc21	ZINC000598723096	398862011	/nfs/dbraw/zinc/86/20/11/398862011.db2.gz	DRDUUGAWLYKFDD-WFASDCNBSA-N	0	3	306.381	2.930	20	30		DFEDHN
Cn1c(CNC[C@H](O)CC(C)(C)C#N)nc2cccc(Cl)c21	ZINC000598725654	398862880	/nfs/dbraw/zinc/86/28/80/398862880.db2.gz	YNEQYHMYQWXYJM-LLVKDONJSA-N	0	3	320.824	2.617	20	30		DFEDHN
N#Cc1csc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)c1	ZINC000134554731	398866044	/nfs/dbraw/zinc/86/60/44/398866044.db2.gz	IQALZSFVULVCPR-CQSZACIVSA-N	0	3	303.431	2.500	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1sccc1Br	ZINC000598720183	398861058	/nfs/dbraw/zinc/86/10/58/398861058.db2.gz	LKYIOLUYNJJKKU-VIFPVBQESA-N	0	3	317.252	2.901	20	30		DFEDHN
CCN(CC)[C@H](CNC[C@@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598719815	398861115	/nfs/dbraw/zinc/86/11/15/398861115.db2.gz	JEOUVUZEDRPSKY-LSDHHAIUSA-N	0	3	307.438	2.553	20	30		DFEDHN
CC(C)(C)Oc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cn1	ZINC000598723079	398861529	/nfs/dbraw/zinc/86/15/29/398861529.db2.gz	DMXNYZAPCIFGCP-AWEZNQCLSA-N	0	3	305.422	2.649	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](CO)C(C)(C)C	ZINC000180637147	199189139	/nfs/dbraw/zinc/18/91/39/199189139.db2.gz	VKDZLAIKBUDIEW-OAHLLOKOSA-N	0	3	322.474	2.900	20	30		DFEDHN
CCn1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1=O	ZINC000594938653	398877184	/nfs/dbraw/zinc/87/71/84/398877184.db2.gz	NFKMPUZERBHDAX-UHFFFAOYSA-N	0	3	307.397	2.713	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)cc1	ZINC000594959194	398881817	/nfs/dbraw/zinc/88/18/17/398881817.db2.gz	ARCVXQMJTBTOCG-IEBWSBKVSA-N	0	3	322.412	2.785	20	30		DFEDHN
N#CC1(c2ccc(CNCc3ccc(CC(N)=O)cc3)cc2)CC1	ZINC000594951206	398879509	/nfs/dbraw/zinc/87/95/09/398879509.db2.gz	BWJBKQKJXSXAOZ-UHFFFAOYSA-N	0	3	319.408	2.559	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@H]2C[C@@H](O)C23CCC3)c1	ZINC000594989548	398887723	/nfs/dbraw/zinc/88/77/23/398887723.db2.gz	USUCXFTVPPNFLL-DLBZAZTESA-N	0	3	300.402	2.762	20	30		DFEDHN
C#CCN(CC)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000142186729	398898083	/nfs/dbraw/zinc/89/80/83/398898083.db2.gz	IBSJDDOWBXRQBA-UHFFFAOYSA-N	0	3	319.474	2.625	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000598978096	398901811	/nfs/dbraw/zinc/90/18/11/398901811.db2.gz	JRQSHDWQEZPRKJ-HNNXBMFYSA-N	0	3	311.495	2.612	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)c1	ZINC000598988067	398903848	/nfs/dbraw/zinc/90/38/48/398903848.db2.gz	PJNMMQDPVMZXON-JKSUJKDBSA-N	0	3	324.384	2.829	20	30		DFEDHN
COc1cc(CN[C@@H]2COc3cccc(C)c3C2)ccc1C#N	ZINC000598986204	398903871	/nfs/dbraw/zinc/90/38/71/398903871.db2.gz	FWTYWCRACCKAMA-INIZCTEOSA-N	0	3	308.381	2.969	20	30		DFEDHN
Cc1ccc(C(C)(C)CNCc2cnc3ccc(C#N)cn23)nc1	ZINC000598991303	398904261	/nfs/dbraw/zinc/90/42/61/398904261.db2.gz	NOAJSCBLHRBNII-UHFFFAOYSA-N	0	3	319.412	2.977	20	30		DFEDHN
CN(C)CCNC(=O)c1ccc(NCC(C)(C)CCC#N)cc1	ZINC000598992610	398904982	/nfs/dbraw/zinc/90/49/82/398904982.db2.gz	XMBMELVBWKAYHX-UHFFFAOYSA-N	0	3	316.449	2.720	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C#N)cc1F	ZINC000595105914	398906382	/nfs/dbraw/zinc/90/63/82/398906382.db2.gz	UHMCLRWDEJNCSP-ACJLOTCBSA-N	0	3	320.408	2.916	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C	ZINC000054667141	398906496	/nfs/dbraw/zinc/90/64/96/398906496.db2.gz	IBDMWGXBEHOWCR-HNNXBMFYSA-N	0	3	323.824	2.639	20	30		DFEDHN
C[C@H](NC1CCN(CC#N)CC1)c1cc(-c2ccccc2)n(C)n1	ZINC000599029091	398909626	/nfs/dbraw/zinc/90/96/26/398909626.db2.gz	YYXWPABTMUISMF-HNNXBMFYSA-N	0	3	323.444	2.726	20	30		DFEDHN
Cc1cc(F)ccc1C[C@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000595255591	398913546	/nfs/dbraw/zinc/91/35/46/398913546.db2.gz	GCLDWHXLGHVBGG-BBRMVZONSA-N	0	3	305.397	2.593	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc2c1ccn2C(F)F	ZINC000595257864	398913290	/nfs/dbraw/zinc/91/32/90/398913290.db2.gz	ZYNQOCLIMWIDEN-LLVKDONJSA-N	0	3	306.316	2.996	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000054981068	398915005	/nfs/dbraw/zinc/91/50/05/398915005.db2.gz	BCEOHYGINDMHEN-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
CCCN(CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595289528	398916738	/nfs/dbraw/zinc/91/67/38/398916738.db2.gz	DSKORCJUXANTFV-CALCHBBNSA-N	0	3	315.461	2.879	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc(C#N)c1	ZINC000599085395	398918606	/nfs/dbraw/zinc/91/86/06/398918606.db2.gz	ZVHOFCCWPLOANO-XZOAIXRZSA-N	0	3	309.369	2.840	20	30		DFEDHN
N#Cc1ccc(NCCN2CCCOCC2)cc1C(F)(F)F	ZINC000188503612	200257917	/nfs/dbraw/zinc/25/79/17/200257917.db2.gz	IUZBJEYDCUZZMV-UHFFFAOYSA-N	0	3	313.323	2.711	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC([C@@H]2CCCO2)CC1	ZINC000189227796	200367255	/nfs/dbraw/zinc/36/72/55/200367255.db2.gz	DMULSRMPQYRCSI-KRWDZBQOSA-N	0	3	300.402	2.828	20	30		DFEDHN
CO[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1	ZINC000595406213	398933453	/nfs/dbraw/zinc/93/34/53/398933453.db2.gz	AXASHRKXGBVCDL-MOPGFXCFSA-N	0	3	312.413	2.699	20	30		DFEDHN
N#Cc1cc(F)c(N2CCCN(C3CCOCC3)CC2)c(F)c1	ZINC000077990222	398933343	/nfs/dbraw/zinc/93/33/43/398933343.db2.gz	YUTNMYMFDJCWQM-UHFFFAOYSA-N	0	3	321.371	2.528	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C[C@@H](O)CC1(C#N)CC1	ZINC000599250324	398943065	/nfs/dbraw/zinc/94/30/65/398943065.db2.gz	MOJYNKICQWPLNT-ZDUSSCGKSA-N	0	3	308.809	2.705	20	30		DFEDHN
CN(CCOc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CC1	ZINC000599251805	398943365	/nfs/dbraw/zinc/94/33/65/398943365.db2.gz	YNUICQIGLGZMHX-CQSZACIVSA-N	0	3	308.809	2.705	20	30		DFEDHN
C[C@H](c1cccs1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599263124	398944135	/nfs/dbraw/zinc/94/41/35/398944135.db2.gz	CMULEWCDHXMPJM-KGLIPLIRSA-N	0	3	308.447	2.812	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)CC1	ZINC000599270189	398945962	/nfs/dbraw/zinc/94/59/62/398945962.db2.gz	BXYQOMZICPNUHW-QZTJIDSGSA-N	0	3	314.429	2.722	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCC1(CN[C@H]2CCC[C@@H]2C#N)CCC1	ZINC000595481441	398946863	/nfs/dbraw/zinc/94/68/63/398946863.db2.gz	HCOGHJSSOWKRKM-YVSFHVDLSA-N	0	3	300.450	2.720	20	30		DFEDHN
CC(C)[C@H](NCc1ccc(CC#N)cc1)[C@H](O)C(F)(F)F	ZINC000595482362	398947986	/nfs/dbraw/zinc/94/79/86/398947986.db2.gz	OHVJFCSXGCWGFR-KBPBESRZSA-N	0	3	300.324	2.790	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCSC[C@H]2c2ccccc2)CC1	ZINC000599294040	398948914	/nfs/dbraw/zinc/94/89/14/398948914.db2.gz	AECXFMCXADZDEJ-HOTGVXAUSA-N	0	3	302.443	2.831	20	30		DFEDHN
Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1C#N	ZINC000599291878	398948973	/nfs/dbraw/zinc/94/89/73/398948973.db2.gz	UOPOPPLPQQZCRG-QGZVFWFLSA-N	0	3	311.429	2.701	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCCc3ccccc3C2)CCOCC1	ZINC000599298265	398950040	/nfs/dbraw/zinc/95/00/40/398950040.db2.gz	XAGDDPFEOLZMIA-GOSISDBHSA-N	0	3	314.429	2.506	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)cc1C#N	ZINC000191295593	200664118	/nfs/dbraw/zinc/66/41/18/200664118.db2.gz	LHOHGRNYYMPBNB-HNNXBMFYSA-N	0	3	314.820	2.919	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(OC)c(C#N)c1	ZINC000272005145	209377652	/nfs/dbraw/zinc/37/76/52/209377652.db2.gz	IXWWRNDCJJXVQB-CRAIPNDOSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC[C@H](C)C1	ZINC000595504944	398951854	/nfs/dbraw/zinc/95/18/54/398951854.db2.gz	KWYKBXIVJFWLPM-JKSUJKDBSA-N	0	3	320.481	2.880	20	30		DFEDHN
CC(C)Oc1cccc(CN(C)C[C@@H](O)CC2(C#N)CC2)c1	ZINC000599338564	398956554	/nfs/dbraw/zinc/95/65/54/398956554.db2.gz	DHCXERVAQAOFDG-INIZCTEOSA-N	0	3	302.418	2.960	20	30		DFEDHN
COc1cc(C)c([C@H](C)NC[C@H](O)CC2(C#N)CC2)cc1OC	ZINC000599346759	398957580	/nfs/dbraw/zinc/95/75/80/398957580.db2.gz	DOOSJXHOOLSJEF-UONOGXRCSA-N	0	3	318.417	2.718	20	30		DFEDHN
CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1	ZINC000599354813	398960239	/nfs/dbraw/zinc/96/02/39/398960239.db2.gz	RHUBBSREOWPBKS-CABCVRRESA-N	0	3	303.362	2.690	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1	ZINC000595547388	398964150	/nfs/dbraw/zinc/96/41/50/398964150.db2.gz	UANAJTRIOQKVDO-GJZGRUSLSA-N	0	3	313.511	2.715	20	30		DFEDHN
CN(CC1(C#N)CC1)[C@H]1CCCC[C@@H]1N(C)CC1(C#N)CC1	ZINC000613383337	398968027	/nfs/dbraw/zinc/96/80/27/398968027.db2.gz	AKRONHIABSPCJU-HOTGVXAUSA-N	0	3	300.450	2.769	20	30		DFEDHN
CN(C)c1ccc([C@H]2CCCN2CCc2ccc(C#N)cc2)nn1	ZINC000595555072	398969382	/nfs/dbraw/zinc/96/93/82/398969382.db2.gz	YEVPGHKJYWMICN-GOSISDBHSA-N	0	3	321.428	2.794	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(OC)ccn1)C(C)C	ZINC000604747430	398968990	/nfs/dbraw/zinc/96/89/90/398968990.db2.gz	YVHRHUZUCRINSH-KRWDZBQOSA-N	0	3	317.433	2.519	20	30		DFEDHN
COCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292832068	223265140	/nfs/dbraw/zinc/26/51/40/223265140.db2.gz	RKFVFXXWRYWALL-GOSISDBHSA-N	0	3	323.396	2.753	20	30		DFEDHN
COCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292832072	223265248	/nfs/dbraw/zinc/26/52/48/223265248.db2.gz	RKFVFXXWRYWALL-SFHVURJKSA-N	0	3	323.396	2.753	20	30		DFEDHN
COc1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1C#N	ZINC000281449078	216307109	/nfs/dbraw/zinc/30/71/09/216307109.db2.gz	ACORCLBBMYRHDC-OAHLLOKOSA-N	0	3	309.369	2.835	20	30		DFEDHN
CC(=O)Nc1cccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000193430112	201050491	/nfs/dbraw/zinc/05/04/91/201050491.db2.gz	WHNJCOIDZXZUOT-ORAYPTAESA-N	0	3	323.396	2.901	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NCCCN2CCC(O)CC2)n1	ZINC000613413802	398974855	/nfs/dbraw/zinc/97/48/55/398974855.db2.gz	YCZCSFVSESKLRA-UHFFFAOYSA-N	0	3	316.449	2.509	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H](c2ccccc2)C2(CO)CCC2)CC1	ZINC000599426319	398978020	/nfs/dbraw/zinc/97/80/20/398978020.db2.gz	BJYRXDDAIWQAMP-IAGOWNOFSA-N	0	3	314.429	2.535	20	30		DFEDHN
COCCCN(C)CCNc1nc(C(C)(C)C)ccc1C#N	ZINC000613425920	398980858	/nfs/dbraw/zinc/98/08/58/398980858.db2.gz	MKGWPCSQTWQWRB-UHFFFAOYSA-N	0	3	304.438	2.631	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)CC2(C#N)CC2)CCc2ccc(F)cc21	ZINC000599453544	398986624	/nfs/dbraw/zinc/98/66/24/398986624.db2.gz	UOGRSOOBBFPZNS-CZUORRHYSA-N	0	3	302.393	2.842	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1F	ZINC000599454875	398986635	/nfs/dbraw/zinc/98/66/35/398986635.db2.gz	XMOYGLCWZIURML-WMLDXEAASA-N	0	3	320.408	2.938	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H]1CCCCN1C1CC1	ZINC000595591972	398988340	/nfs/dbraw/zinc/98/83/40/398988340.db2.gz	MQCHRBPCSAQDIC-OAHLLOKOSA-N	0	3	311.495	2.612	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCC(c3ccco3)CC2)CCOCC1	ZINC000599470447	398989512	/nfs/dbraw/zinc/98/95/12/398989512.db2.gz	RPYFAMVYDYTABQ-MRXNPFEDSA-N	0	3	318.417	2.530	20	30		DFEDHN
N#CC1(CCN2CCC(N3CCOCC3)CC2)CCCCC1	ZINC000599472309	398989739	/nfs/dbraw/zinc/98/97/39/398989739.db2.gz	RLXUYPHVNICQHR-UHFFFAOYSA-N	0	3	305.466	2.647	20	30		DFEDHN
COC(=O)Cc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1	ZINC000600184142	398993992	/nfs/dbraw/zinc/99/39/92/398993992.db2.gz	GKZIUJOBHQJKMD-UHFFFAOYSA-N	0	3	324.380	2.572	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1CCC(C#N)CC1	ZINC000595607071	398995677	/nfs/dbraw/zinc/99/56/77/398995677.db2.gz	PULHLBRQHZSSQL-GTPINHCMSA-N	0	3	320.481	2.736	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000595609029	398997111	/nfs/dbraw/zinc/99/71/11/398997111.db2.gz	FGYKOFSNSODTPJ-IRXDYDNUSA-N	0	3	302.418	2.669	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000595615884	399003064	/nfs/dbraw/zinc/00/30/64/399003064.db2.gz	OLTXGTBZANJXNG-ZDUSSCGKSA-N	0	3	316.361	2.549	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)NC(=O)Nc2cccc(C)c2C)C1	ZINC000599526724	399002632	/nfs/dbraw/zinc/00/26/32/399002632.db2.gz	QMHQNVZNPZDQTE-HNNXBMFYSA-N	0	3	315.417	2.850	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000595615878	399003251	/nfs/dbraw/zinc/00/32/51/399003251.db2.gz	OHIZXGYKVFVKMW-ZDUSSCGKSA-N	0	3	316.361	2.549	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000595615883	399003325	/nfs/dbraw/zinc/00/33/25/399003325.db2.gz	OLTXGTBZANJXNG-CYBMUJFWSA-N	0	3	316.361	2.549	20	30		DFEDHN
CSc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000595623265	399006604	/nfs/dbraw/zinc/00/66/04/399006604.db2.gz	LNTOUEUTXCBILE-CABCVRRESA-N	0	3	320.458	2.774	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1	ZINC000079008031	399008373	/nfs/dbraw/zinc/00/83/73/399008373.db2.gz	UWWOBRHCMRDCLW-NVXWUHKLSA-N	0	3	314.433	2.625	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)CCC#N	ZINC000595628310	399009032	/nfs/dbraw/zinc/00/90/32/399009032.db2.gz	JKQYPNUAZHPFAX-HNNXBMFYSA-N	0	3	308.470	2.736	20	30		DFEDHN
CC(C)(NC[C@H](O)COCc1ccco1)c1cccc(C#N)c1	ZINC000595635382	399011723	/nfs/dbraw/zinc/01/17/23/399011723.db2.gz	JSMDJAGRHGDDRQ-INIZCTEOSA-N	0	3	314.385	2.554	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1(SC)CCN(C)CC1	ZINC000595637419	399012996	/nfs/dbraw/zinc/01/29/96/399012996.db2.gz	VYIKHXCHDWMCPC-GASCZTMLSA-N	0	3	323.506	2.706	20	30		DFEDHN
CCC(C)(C)[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000595638981	399014997	/nfs/dbraw/zinc/01/49/97/399014997.db2.gz	QLALDSZMNPHMNO-ZDUSSCGKSA-N	0	3	308.447	2.746	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NCCCN(C)Cc1ccccc1	ZINC000275397464	212308794	/nfs/dbraw/zinc/30/87/94/212308794.db2.gz	DIZGGKFUOMPUGF-IBGZPJMESA-N	0	3	318.461	2.854	20	30		DFEDHN
C[C@H]1CN(CCCSCC#N)CC[C@H]1C(=O)OC(C)(C)C	ZINC000599588496	399022141	/nfs/dbraw/zinc/02/21/41/399022141.db2.gz	PJYCLMBDGWXWFI-UONOGXRCSA-N	0	3	312.479	2.933	20	30		DFEDHN
C=CC[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595659970	399023726	/nfs/dbraw/zinc/02/37/26/399023726.db2.gz	OZBDQOXCEUNTKS-FUHWJXTLSA-N	0	3	309.413	2.952	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC1(C#N)CCCCC1	ZINC000595661471	399025088	/nfs/dbraw/zinc/02/50/88/399025088.db2.gz	CBPHZYBOBIVYFL-CQSZACIVSA-N	0	3	306.454	2.632	20	30		DFEDHN
COC(=O)CN(CCCC1(C#N)CCOCC1)C1CCCCC1	ZINC000595668769	399026604	/nfs/dbraw/zinc/02/66/04/399026604.db2.gz	OOIUSHWHNRHMKO-UHFFFAOYSA-N	0	3	322.449	2.895	20	30		DFEDHN
C[C@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1	ZINC000599632651	399036524	/nfs/dbraw/zinc/03/65/24/399036524.db2.gz	AKQAFXAUCVSABQ-RDTXWAMCSA-N	0	3	305.466	2.943	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1	ZINC000091960732	193132180	/nfs/dbraw/zinc/13/21/80/193132180.db2.gz	USQIWYQIWCCZTE-WMZOPIPTSA-N	0	3	309.413	2.978	20	30		DFEDHN
CCO[C@H]1C[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000092040841	193145952	/nfs/dbraw/zinc/14/59/52/193145952.db2.gz	FTDUNLIAUXJPCI-SJORKVTESA-N	0	3	324.428	2.985	20	30		DFEDHN
N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000595693732	399038157	/nfs/dbraw/zinc/03/81/57/399038157.db2.gz	JERCYQLXOYEJAZ-RYQLBKOJSA-N	0	3	311.429	2.821	20	30		DFEDHN
COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@@H]21	ZINC000599655333	399046757	/nfs/dbraw/zinc/04/67/57/399046757.db2.gz	PQXMSYLHEOVFKV-KZNAEPCWSA-N	0	3	312.413	2.916	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000595705663	399047181	/nfs/dbraw/zinc/04/71/81/399047181.db2.gz	XNPBINVRUZSVOI-MRXNPFEDSA-N	0	3	314.433	2.572	20	30		DFEDHN
CC1(C)CCN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)C1	ZINC000595750686	399069003	/nfs/dbraw/zinc/06/90/03/399069003.db2.gz	SQOXOAVTZIGZOQ-UHFFFAOYSA-N	0	3	318.465	2.791	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCN(C(C)=O)c2ccccc21	ZINC000621762706	399070742	/nfs/dbraw/zinc/07/07/42/399070742.db2.gz	JDBNKCBPGKMIRH-NUJGCVRESA-N	0	3	300.402	2.808	20	30		DFEDHN
N#Cc1cccc(C2(NCCOCC3CCC3)CCOCC2)c1	ZINC000595767543	399076909	/nfs/dbraw/zinc/07/69/09/399076909.db2.gz	DJJGCLGRLNEJEW-UHFFFAOYSA-N	0	3	314.429	2.970	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000275247899	212223073	/nfs/dbraw/zinc/22/30/73/212223073.db2.gz	PTSIWUJZKZOAHW-ZFWWWQNUSA-N	0	3	321.808	2.697	20	30		DFEDHN
C=CCC[C@@H](C(=O)N[C@@H]1CCN(CCOC)C1)c1ccccc1	ZINC000275245612	212221620	/nfs/dbraw/zinc/22/16/20/212221620.db2.gz	GTMSTCAXZMDRHW-QZTJIDSGSA-N	0	3	316.445	2.573	20	30		DFEDHN
N#Cc1cccc(C2(NCCOC3CCC3)CCOCC2)c1	ZINC000595770677	399078941	/nfs/dbraw/zinc/07/89/41/399078941.db2.gz	ZTMGMEGKMMNABY-UHFFFAOYSA-N	0	3	300.402	2.723	20	30		DFEDHN
CC(=O)Nc1ccn([C@@H]2CCN(CCCCC(C)(C)C#N)C2)n1	ZINC000618307231	399080031	/nfs/dbraw/zinc/08/00/31/399080031.db2.gz	STTLNZCYSDIUFV-OAHLLOKOSA-N	0	3	317.437	2.808	20	30		DFEDHN
C=CCC1(NCC(=O)Nc2ccc(C(=O)OC)cc2)CCCC1	ZINC000595780147	399081016	/nfs/dbraw/zinc/08/10/16/399081016.db2.gz	JISQUEHACSCSJK-UHFFFAOYSA-N	0	3	316.401	2.890	20	30		DFEDHN
C=CCC1(NCC(=O)Nc2ccccc2C(=O)OC)CCCC1	ZINC000595779593	399081102	/nfs/dbraw/zinc/08/11/02/399081102.db2.gz	AYXZACLCQGMTTJ-UHFFFAOYSA-N	0	3	316.401	2.890	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(OC(F)F)c1	ZINC000595829012	399102425	/nfs/dbraw/zinc/10/24/25/399102425.db2.gz	GHJGSKHNUVQXOS-KBPBESRZSA-N	0	3	308.328	2.628	20	30		DFEDHN
CCNC(=O)C[C@H]1CCCCN1CC#Cc1ccc(F)cc1	ZINC000284318140	335011168	/nfs/dbraw/zinc/01/11/68/335011168.db2.gz	AWVHSGOVZBJFSS-QGZVFWFLSA-N	0	3	302.393	2.558	20	30		DFEDHN
COc1ccccc1CCN(C)Cc1cnc2ccc(C#N)cn12	ZINC000093105163	193204795	/nfs/dbraw/zinc/20/47/95/193204795.db2.gz	XUEUSZHSDPLIBZ-UHFFFAOYSA-N	0	3	320.396	2.889	20	30		DFEDHN
C[C@@]1(Cc2cccc3ccccc32)CCCN1CC(=O)NCC#N	ZINC000595863438	399116449	/nfs/dbraw/zinc/11/64/49/399116449.db2.gz	GVVLZSLQQRMUQH-FQEVSTJZSA-N	0	3	321.424	2.877	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2cccnc2OC2CCCC2)CC1	ZINC000600715277	399121772	/nfs/dbraw/zinc/12/17/72/399121772.db2.gz	AZAWMUYTSUCMJZ-OAHLLOKOSA-N	0	3	315.417	2.547	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)CC1	ZINC000600717983	399123249	/nfs/dbraw/zinc/12/32/49/399123249.db2.gz	DQQLYEWVLSUPOF-DZGCQCFKSA-N	0	3	304.365	2.684	20	30		DFEDHN
CC(C)(C#N)CCCN1CCN(Cc2cccc(O)c2)CC1	ZINC000177785707	399123579	/nfs/dbraw/zinc/12/35/79/399123579.db2.gz	VQKFCGOALJPDPO-UHFFFAOYSA-N	0	3	301.434	2.840	20	30		DFEDHN
Cc1ccc(OC(F)F)c(CNC[C@@H](O)CC2(C#N)CC2)c1	ZINC000600729060	399128062	/nfs/dbraw/zinc/12/80/62/399128062.db2.gz	CXKWANOWVQMLNH-ZDUSSCGKSA-N	0	3	310.344	2.741	20	30		DFEDHN
Cn1cc(CNCCOc2ccc(C#N)cc2)c(C(C)(C)C)n1	ZINC000093966649	193332320	/nfs/dbraw/zinc/33/23/20/193332320.db2.gz	ZTDRWQPOIFOITE-UHFFFAOYSA-N	0	3	312.417	2.758	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(C2CC2)cc1	ZINC000600734297	399128896	/nfs/dbraw/zinc/12/88/96/399128896.db2.gz	NOMIWEITXSAXNK-IBGZPJMESA-N	0	3	322.408	2.965	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1	ZINC000274973254	212052336	/nfs/dbraw/zinc/05/23/36/212052336.db2.gz	WOTHILGBQKOSGO-ZDUSSCGKSA-N	0	3	317.437	2.626	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](c1ccccc1C)C(C)(C)C	ZINC000180090512	399131776	/nfs/dbraw/zinc/13/17/76/399131776.db2.gz	XOVPRTALWOJAFS-INIZCTEOSA-N	0	3	317.433	2.684	20	30		DFEDHN
CCc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1	ZINC000600747794	399133821	/nfs/dbraw/zinc/13/38/21/399133821.db2.gz	KSCBKXVDFLPVHY-GOSISDBHSA-N	0	3	310.397	2.650	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2ccc3[nH]ccc3c2)CC1	ZINC000180479550	399134206	/nfs/dbraw/zinc/13/42/06/399134206.db2.gz	FKMBJGPEFSHRHV-UHFFFAOYSA-N	0	3	311.429	2.867	20	30		DFEDHN
N#Cc1cc(-c2ccc(CN3CCC[C@H]3C[NH3+])cc2)ccc1[O-]	ZINC000600779557	399143211	/nfs/dbraw/zinc/14/32/11/399143211.db2.gz	GLAWBOGKUKZBQZ-SFHVURJKSA-N	0	3	307.397	2.854	20	30		DFEDHN
CC1(C)C[C@@]1(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1	ZINC000595987814	399145114	/nfs/dbraw/zinc/14/51/14/399145114.db2.gz	YAUVLKNLNLDZTP-VQIMIIECSA-N	0	3	313.445	2.882	20	30		DFEDHN
CC1(C)C[C@]1(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1	ZINC000595987812	399145230	/nfs/dbraw/zinc/14/52/30/399145230.db2.gz	YAUVLKNLNLDZTP-LPHOPBHVSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1cccc(Cl)c1	ZINC000182597965	399145984	/nfs/dbraw/zinc/14/59/84/399145984.db2.gz	YBMMACOHPHSZLC-SMDDNHRTSA-N	0	3	323.824	2.781	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000060954708	399147928	/nfs/dbraw/zinc/14/79/28/399147928.db2.gz	CPRKAEMWRYIGPP-IBGZPJMESA-N	0	3	321.424	2.640	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1CCCc2[nH]c(=O)ccc21	ZINC000264596171	204017651	/nfs/dbraw/zinc/01/76/51/204017651.db2.gz	YOKLVDPOAGUGAL-MRXNPFEDSA-N	0	3	308.381	2.966	20	30		DFEDHN
Cc1nnc(NC[C@@H](C)N(C)Cc2ccccc2)c(C#N)c1C	ZINC000264698072	204085813	/nfs/dbraw/zinc/08/58/13/204085813.db2.gz	DMJRROGHUPBHEX-CYBMUJFWSA-N	0	3	309.417	2.898	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C/c1cccnc1)C(C)C	ZINC000264849867	204207482	/nfs/dbraw/zinc/20/74/82/204207482.db2.gz	BTVDFVCHXPPCDN-QZEKMECESA-N	0	3	313.445	2.910	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1	ZINC000264930232	204279497	/nfs/dbraw/zinc/27/94/97/204279497.db2.gz	AKYIWZUTMLCMOD-SFHVURJKSA-N	0	3	309.413	2.989	20	30		DFEDHN
CC(=O)N(C)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614162958	399165568	/nfs/dbraw/zinc/16/55/68/399165568.db2.gz	IQKJQXINXDSBOS-UHFFFAOYSA-N	0	3	313.445	2.930	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000596088640	399168796	/nfs/dbraw/zinc/16/87/96/399168796.db2.gz	MRPKECOBJWUQAE-RDJZCZTQSA-N	0	3	314.433	2.625	20	30		DFEDHN
COc1cc(CN(CCCO)Cc2ccccc2)ccc1C#N	ZINC000282498849	217041600	/nfs/dbraw/zinc/04/16/00/217041600.db2.gz	XYBYXAKSDKLGSE-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@H](C2(C)OCCO2)C1	ZINC000183238113	335017178	/nfs/dbraw/zinc/01/71/78/335017178.db2.gz	XDYGLLHPCHKVOR-KRWDZBQOSA-N	0	3	315.413	2.674	20	30		DFEDHN
Cc1ccc([C@@H](CNc2c(C#N)cnn2C)N2CCCC2)cc1	ZINC000596096529	399172201	/nfs/dbraw/zinc/17/22/01/399172201.db2.gz	IRMMIHSBFSZVQV-QGZVFWFLSA-N	0	3	309.417	2.849	20	30		DFEDHN
C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)OC(C)(C)C	ZINC000282676067	217167563	/nfs/dbraw/zinc/16/75/63/217167563.db2.gz	JUOCMALTFPUUEZ-NSHDSACASA-N	0	3	309.435	2.965	20	30		DFEDHN
Cn1cc(CN[C@H]2CSC2(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000282679491	217170911	/nfs/dbraw/zinc/17/09/11/217170911.db2.gz	KGPYEOHSOXXTEK-HNNXBMFYSA-N	0	3	312.442	2.942	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000596133587	399184835	/nfs/dbraw/zinc/18/48/35/399184835.db2.gz	IKCNFJGOJSSYQI-YJBOKZPZSA-N	0	3	321.428	2.838	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cc(C)on1)Cc1cccc(C#N)c1	ZINC000063300322	399185443	/nfs/dbraw/zinc/18/54/43/399185443.db2.gz	IIMJZSIZASEDMD-UHFFFAOYSA-N	0	3	324.384	2.872	20	30		DFEDHN
CC(C)[C@H](CNc1ccc(Cl)cc1C#N)N1CCN(C)CC1	ZINC000266178220	205163361	/nfs/dbraw/zinc/16/33/61/205163361.db2.gz	UGIAQJITTQHWTP-KRWDZBQOSA-N	0	3	320.868	2.896	20	30		DFEDHN
COc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1C#N	ZINC000266184536	205165609	/nfs/dbraw/zinc/16/56/09/205165609.db2.gz	GZSWHDCKXVJTSA-IBGZPJMESA-N	0	3	321.424	2.931	20	30		DFEDHN
CC(C)C1CCC(N2CCN(c3cc(C#N)cnn3)CC2)CC1	ZINC000596153842	399193510	/nfs/dbraw/zinc/19/35/10/399193510.db2.gz	AOYVATUYLNKWPC-UHFFFAOYSA-N	0	3	313.449	2.685	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1	ZINC000266281670	205235817	/nfs/dbraw/zinc/23/58/17/205235817.db2.gz	GOZWMCKBPNHNEH-MDZLAQPJSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@@H](CNCc1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C	ZINC000282867595	217287420	/nfs/dbraw/zinc/28/74/20/217287420.db2.gz	QUUIHTXTRKYFPP-ZDUSSCGKSA-N	0	3	303.406	2.903	20	30		DFEDHN
CCN(C(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCN(CC)C1	ZINC000596165557	399199409	/nfs/dbraw/zinc/19/94/09/399199409.db2.gz	UHZLQFNXEWWDPL-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2cc(C#N)ccn2)N(C)C)cc1	ZINC000282886550	217302277	/nfs/dbraw/zinc/30/22/77/217302277.db2.gz	FUGBHIWLZLUYCI-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)N(CC=C)CC=C	ZINC000285057684	335019387	/nfs/dbraw/zinc/01/93/87/335019387.db2.gz	JFDMNIKHCRASOH-MJGOQNOKSA-N	0	3	310.441	2.800	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1	ZINC000266473560	205372864	/nfs/dbraw/zinc/37/28/64/205372864.db2.gz	UUEMFHIJTYRHTB-JSGCOSHPSA-N	0	3	316.405	2.513	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1	ZINC000601027310	399205815	/nfs/dbraw/zinc/20/58/15/399205815.db2.gz	WFYQBSPSUMOFSL-HNNXBMFYSA-N	0	3	303.450	2.841	20	30		DFEDHN
CN(C)CCN(C)c1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000288558622	220234253	/nfs/dbraw/zinc/23/42/53/220234253.db2.gz	WAFVRNKOBXSDCG-UHFFFAOYSA-N	0	3	308.307	2.522	20	30		DFEDHN
Cn1nnc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc21	ZINC000618741568	399226885	/nfs/dbraw/zinc/22/68/85/399226885.db2.gz	GHXVJXHKWBVVGX-MRXNPFEDSA-N	0	3	303.369	2.617	20	30		DFEDHN
C#CCCCC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC	ZINC000192100730	335026095	/nfs/dbraw/zinc/02/60/95/335026095.db2.gz	PXDIGUBGDLWROG-GOSISDBHSA-N	0	3	316.445	2.998	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000192158488	335026760	/nfs/dbraw/zinc/02/67/60/335026760.db2.gz	DLHHOLXXCBWBMZ-BFYDXBDKSA-N	0	3	322.836	2.529	20	30		DFEDHN
C=CCCOCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000608254397	399246742	/nfs/dbraw/zinc/24/67/42/399246742.db2.gz	XTULDXZDLMGHGQ-QGZVFWFLSA-N	0	3	316.445	2.702	20	30		DFEDHN
N#Cc1ccc(N2CCC(N[C@H]3CCCn4nccc43)CC2)cc1	ZINC000601173933	399247755	/nfs/dbraw/zinc/24/77/55/399247755.db2.gz	MTWZOEOMZPUFRK-SFHVURJKSA-N	0	3	321.428	2.848	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1cccs1	ZINC000267680313	206214005	/nfs/dbraw/zinc/21/40/05/206214005.db2.gz	BUPHTEBCBADLHD-CQSZACIVSA-N	0	3	310.463	2.620	20	30		DFEDHN
C#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F	ZINC000192309982	335029725	/nfs/dbraw/zinc/02/97/25/335029725.db2.gz	KXIPSSIEPOOORX-UHFFFAOYSA-N	0	3	308.372	2.659	20	30		DFEDHN
C=C[C@](C)(O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC	ZINC000614674782	399258326	/nfs/dbraw/zinc/25/83/26/399258326.db2.gz	OFPRNGBQILPXEQ-RDJZCZTQSA-N	0	3	324.852	2.776	20	30		DFEDHN
CC(C)C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCCC1	ZINC000267788944	206282103	/nfs/dbraw/zinc/28/21/03/206282103.db2.gz	XUWRIVUBAJSIDQ-CQSZACIVSA-N	0	3	305.447	2.860	20	30		DFEDHN
CC[C@@H](NC1CCN(CC#N)CC1)c1cccc(OC)c1OC	ZINC000601267891	399267642	/nfs/dbraw/zinc/26/76/42/399267642.db2.gz	WZEOCKPGPVMFDM-MRXNPFEDSA-N	0	3	317.433	2.732	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601409968	399286810	/nfs/dbraw/zinc/28/68/10/399286810.db2.gz	BKMZEEANBYHHAS-HNNXBMFYSA-N	0	3	311.429	2.707	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)C1(C#N)CC2(CC2)C1	ZINC000601573946	399302610	/nfs/dbraw/zinc/30/26/10/399302610.db2.gz	HJNWBJLPMWUKTH-UHFFFAOYSA-N	0	3	303.450	2.795	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)CCN1Cc1ccccc1	ZINC000601583174	399303781	/nfs/dbraw/zinc/30/37/81/399303781.db2.gz	XMDKGNFGOHDRAR-RDJZCZTQSA-N	0	3	323.440	2.850	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccccc1CC#N	ZINC000601602569	399307000	/nfs/dbraw/zinc/30/70/00/399307000.db2.gz	GKVWUFZDMLFSNB-KRWDZBQOSA-N	0	3	313.445	2.993	20	30		DFEDHN
CC(C)N1CCCN(C(=O)c2cc3ccccc3n2CC#N)CC1	ZINC000609173553	399308272	/nfs/dbraw/zinc/30/82/72/399308272.db2.gz	WBVBRQWGCCTIJA-UHFFFAOYSA-N	0	3	324.428	2.721	20	30		DFEDHN
CC(C)c1ccc(CNC2CCN(CC#N)CC2)cc1[N+](=O)[O-]	ZINC000609334989	399314286	/nfs/dbraw/zinc/31/42/86/399314286.db2.gz	OEBAHTKPDSNWNX-UHFFFAOYSA-N	0	3	316.405	2.796	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(C#N)cc1Cl	ZINC000615231889	399315173	/nfs/dbraw/zinc/31/51/73/399315173.db2.gz	JULPFXYDCUYQJS-YOEHRIQHSA-N	0	3	319.836	2.948	20	30		DFEDHN
CN1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000609574078	399323828	/nfs/dbraw/zinc/32/38/28/399323828.db2.gz	MUVZLMYAFGTJMA-GWCFXTLKSA-N	0	3	312.200	2.626	20	30		DFEDHN
N#CCN1CCC(NCc2cc(C(F)(F)F)ccc2F)CC1	ZINC000609599721	399326034	/nfs/dbraw/zinc/32/60/34/399326034.db2.gz	ZAHSQRIYPOGULI-UHFFFAOYSA-N	0	3	315.314	2.922	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1	ZINC000609920605	399336411	/nfs/dbraw/zinc/33/64/11/399336411.db2.gz	UEUFLZGWQJMZJU-DOMZBBRYSA-N	0	3	305.809	2.753	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000287261322	335042609	/nfs/dbraw/zinc/04/26/09/335042609.db2.gz	QBVBIXGGPPPTOF-LSDHHAIUSA-N	0	3	323.396	2.662	20	30		DFEDHN
CS[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1N1CCCC1	ZINC000273918176	211173031	/nfs/dbraw/zinc/17/30/31/211173031.db2.gz	BDIJUMNAAIHAAW-IAGOWNOFSA-N	0	3	319.449	2.709	20	30		DFEDHN
CC(C)N1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O	ZINC000619508461	399355151	/nfs/dbraw/zinc/35/51/51/399355151.db2.gz	YRRVSXMJKRVZOF-SJLPKXTDSA-N	0	3	311.429	2.925	20	30		DFEDHN
C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1cccc(C#N)c1	ZINC000610347106	399358916	/nfs/dbraw/zinc/35/89/16/399358916.db2.gz	CTPJMBBDRUKDIC-ZDUSSCGKSA-N	0	3	312.417	2.545	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(C#N)ccc1Cl	ZINC000284950279	218247320	/nfs/dbraw/zinc/24/73/20/218247320.db2.gz	BHBYPOIBZSRWPV-ZDUSSCGKSA-N	0	3	307.825	2.918	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000610476043	399370954	/nfs/dbraw/zinc/37/09/54/399370954.db2.gz	XQMXIOJPKMLYPE-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
CCOc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000615697546	399374800	/nfs/dbraw/zinc/37/48/00/399374800.db2.gz	KAQCLGPQVGNNPI-ZIAGYGMSSA-N	0	3	315.417	2.687	20	30		DFEDHN
CCOC(=O)CCN(Cc1ccc(C#N)c(OC)c1)CC1CC1	ZINC000619674382	399374570	/nfs/dbraw/zinc/37/45/70/399374570.db2.gz	XUUREABPSDAYDP-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619780592	399390956	/nfs/dbraw/zinc/39/09/56/399390956.db2.gz	YHJAZXAUOLXGAZ-RYUDHWBXSA-N	0	3	305.809	2.701	20	30		DFEDHN
CCN1C[C@H](C)[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1	ZINC000610678523	399391978	/nfs/dbraw/zinc/39/19/78/399391978.db2.gz	SJXQZSDLENLWBN-MEDUHNTESA-N	0	3	314.820	2.934	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1	ZINC000053099268	183887449	/nfs/dbraw/zinc/88/74/49/183887449.db2.gz	VXQVUDWYBJTFJJ-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CC(C)[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCN1C	ZINC000602209662	399409703	/nfs/dbraw/zinc/40/97/03/399409703.db2.gz	QIVPEUDULZDHSA-QZTJIDSGSA-N	0	3	313.445	2.558	20	30		DFEDHN
CN(CCOC(C)(C)C)CCC(=O)Nc1cccc(C#N)c1	ZINC000610859972	399413120	/nfs/dbraw/zinc/41/31/20/399413120.db2.gz	YCTQIBQXLSLDCA-UHFFFAOYSA-N	0	3	303.406	2.634	20	30		DFEDHN
CCOC(=O)CCN(Cc1cc(C#N)ccc1OC)CC1CC1	ZINC000610953217	399421395	/nfs/dbraw/zinc/42/13/95/399421395.db2.gz	OZQFLGQXYZFJMJ-UHFFFAOYSA-N	0	3	316.401	2.732	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@@H]2CCN2C2CCCCC2)CCCC1	ZINC000602337960	399426833	/nfs/dbraw/zinc/42/68/33/399426833.db2.gz	ZBSIGVAGELFXNX-INIZCTEOSA-N	0	3	318.465	2.777	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)[nH]1	ZINC000611029634	399428550	/nfs/dbraw/zinc/42/85/50/399428550.db2.gz	MQBMGCQSHLKMPT-MRXNPFEDSA-N	0	3	322.412	2.528	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000060954529	184159088	/nfs/dbraw/zinc/15/90/88/184159088.db2.gz	AFUTYAOAFSMEBR-SFHVURJKSA-N	0	3	322.412	2.660	20	30		DFEDHN
C[C@H]1CN(CCCCNc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000269043001	207192307	/nfs/dbraw/zinc/19/23/07/207192307.db2.gz	NCVPGRAVCLMCJO-KBPBESRZSA-N	0	3	305.397	2.999	20	30		DFEDHN
C[C@H](CCC#N)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000602453917	399448773	/nfs/dbraw/zinc/44/87/73/399448773.db2.gz	KQKFTXGNLLYTEE-CZUORRHYSA-N	0	3	318.396	2.961	20	30		DFEDHN
COc1ccccc1CN1CCN(C[C@@H](C)CCC#N)CC1	ZINC000602458725	399449386	/nfs/dbraw/zinc/44/93/86/399449386.db2.gz	JQNZFOHXVMMZOS-INIZCTEOSA-N	0	3	301.434	2.753	20	30		DFEDHN
CCc1nc(CN2CCN(C[C@@H](C)CCC#N)CC2)cs1	ZINC000602457077	399449824	/nfs/dbraw/zinc/44/98/24/399449824.db2.gz	ZBCUSIGUVFKTGH-AWEZNQCLSA-N	0	3	306.479	2.763	20	30		DFEDHN
CC(C)(CN(Cc1ccc(C#N)cc1)C1CC1)N1CCOCC1	ZINC000602440787	399444973	/nfs/dbraw/zinc/44/49/73/399444973.db2.gz	KOBMCBYKPVXDIE-UHFFFAOYSA-N	0	3	313.445	2.633	20	30		DFEDHN
Cc1nc2ccccc2n1CCCNCc1cccc(C#N)n1	ZINC000602503232	399462553	/nfs/dbraw/zinc/46/25/53/399462553.db2.gz	KLOWXSNIEHXVCQ-UHFFFAOYSA-N	0	3	305.385	2.791	20	30		DFEDHN
COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1OC	ZINC000602505922	399463647	/nfs/dbraw/zinc/46/36/47/399463647.db2.gz	PTXHINOTGJPWKT-AWEZNQCLSA-N	0	3	318.417	2.892	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2CCN(C)[C@@H](C)[C@H]2C)c1C#N	ZINC000611349373	399464667	/nfs/dbraw/zinc/46/46/67/399464667.db2.gz	FVFQMTWRYAUSNX-JKSUJKDBSA-N	0	3	323.444	2.577	20	30		DFEDHN
CC[C@@H](CNCc1cccc(C#N)n1)N1CCc2ccccc2C1	ZINC000602511544	399465038	/nfs/dbraw/zinc/46/50/38/399465038.db2.gz	NYFUGRZBZWCCFS-FQEVSTJZSA-N	0	3	320.440	2.880	20	30		DFEDHN
CS[C@@H]1CN(c2cc(C#N)nc3ccccc32)C[C@H]1N(C)C	ZINC000611370813	399466813	/nfs/dbraw/zinc/46/68/13/399466813.db2.gz	FTFLHRPBQGCQRF-IAGOWNOFSA-N	0	3	312.442	2.588	20	30		DFEDHN
N#Cc1cccc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)n1	ZINC000602520447	399467323	/nfs/dbraw/zinc/46/73/23/399467323.db2.gz	GDVLBCJUBQKDHZ-CQSZACIVSA-N	0	3	310.376	2.708	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000269169316	207290509	/nfs/dbraw/zinc/29/05/09/207290509.db2.gz	XAERJNRQLDDQOW-UHFFFAOYSA-N	0	3	318.808	2.984	20	30		DFEDHN
CCc1nc2ccccc2n1CCNCc1cccc(C#N)n1	ZINC000602525242	399467969	/nfs/dbraw/zinc/46/79/69/399467969.db2.gz	IRTVPHFWTYSYNT-UHFFFAOYSA-N	0	3	305.385	2.655	20	30		DFEDHN
N#C[C@]1(C(=O)N(Cc2ccccc2Cl)CC2CC2)CCNC1	ZINC000602526477	399468100	/nfs/dbraw/zinc/46/81/00/399468100.db2.gz	XGJRKZWLLAKYOP-QGZVFWFLSA-N	0	3	317.820	2.582	20	30		DFEDHN
CC(C)Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000602531289	399469440	/nfs/dbraw/zinc/46/94/40/399469440.db2.gz	HBLZTWMETRAJBU-QGZVFWFLSA-N	0	3	301.434	2.913	20	30		DFEDHN
CC(C)Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000602531173	399469592	/nfs/dbraw/zinc/46/95/92/399469592.db2.gz	HBLZTWMETRAJBU-KRWDZBQOSA-N	0	3	301.434	2.913	20	30		DFEDHN
N#CCCN(CCC#N)C(=O)CN[C@H](CC1CC1)c1ccccc1	ZINC000611395408	399470138	/nfs/dbraw/zinc/47/01/38/399470138.db2.gz	KFOLCTBWHAXFPQ-GOSISDBHSA-N	0	3	324.428	2.773	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)n1	ZINC000602537220	399470291	/nfs/dbraw/zinc/47/02/91/399470291.db2.gz	AWJXVKRHXVNKIW-HNNXBMFYSA-N	0	3	314.339	2.600	20	30		DFEDHN
COc1ccc(COCCCNCc2cccc(C#N)n2)cc1	ZINC000602534350	399469940	/nfs/dbraw/zinc/46/99/40/399469940.db2.gz	TYQOZXHLIQHKHK-UHFFFAOYSA-N	0	3	311.385	2.658	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(C2CCOCC2)c1	ZINC000602547495	399472210	/nfs/dbraw/zinc/47/22/10/399472210.db2.gz	PUZKLWNZWXRYMZ-MRXNPFEDSA-N	0	3	301.390	2.540	20	30		DFEDHN
N#Cc1cccc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)n1	ZINC000602547335	399472729	/nfs/dbraw/zinc/47/27/29/399472729.db2.gz	WZDFBQOZESRRLY-QGZVFWFLSA-N	0	3	310.376	2.851	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@H](C)c1c(C)noc1C	ZINC000611408993	399471603	/nfs/dbraw/zinc/47/16/03/399471603.db2.gz	AEXNQIPIHUTHAZ-LLVKDONJSA-N	0	3	315.373	2.901	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cccc(C#N)n2)C1	ZINC000602543682	399471932	/nfs/dbraw/zinc/47/19/32/399471932.db2.gz	GDXBEQNSILLYEC-HNAYVOBHSA-N	0	3	306.413	2.878	20	30		DFEDHN
CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@@H](N)CCCC#N	ZINC000602551380	399473949	/nfs/dbraw/zinc/47/39/49/399473949.db2.gz	JEOVOYUKIHQTEO-CVEARBPZSA-N	0	3	317.408	2.941	20	30		DFEDHN
N#Cc1cccc(CNCCc2nc(C(F)(F)F)cs2)n1	ZINC000602556395	399474656	/nfs/dbraw/zinc/47/46/56/399474656.db2.gz	FKHYWNHCAMDPMO-UHFFFAOYSA-N	0	3	312.320	2.761	20	30		DFEDHN
CCCN(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000602571017	399478621	/nfs/dbraw/zinc/47/86/21/399478621.db2.gz	VTWYINIUPMQJSU-AWEZNQCLSA-N	0	3	302.422	2.883	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1csc(C(F)(F)F)c1	ZINC000602570493	399478917	/nfs/dbraw/zinc/47/89/17/399478917.db2.gz	AJDRTCFCOYIEHC-SNVBAGLBSA-N	0	3	319.352	2.794	20	30		DFEDHN
CN(C)[C@@H](CNCc1cccc(C#N)n1)c1ccc(Cl)cc1	ZINC000602566291	399478266	/nfs/dbraw/zinc/47/82/66/399478266.db2.gz	XDCQSMANTAWBTG-KRWDZBQOSA-N	0	3	314.820	2.999	20	30		DFEDHN
CCc1nnc2n1C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000611470784	399479261	/nfs/dbraw/zinc/47/92/61/399479261.db2.gz	RDSFSJAZVYQEFQ-FZMZJTMJSA-N	0	3	313.380	2.517	20	30		DFEDHN
CCc1ccc(C2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1	ZINC000602572105	399479665	/nfs/dbraw/zinc/47/96/65/399479665.db2.gz	KBUYBHVYVIOPLG-GOSISDBHSA-N	0	3	313.445	2.976	20	30		DFEDHN
N#Cc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1Cl	ZINC000611489908	399481170	/nfs/dbraw/zinc/48/11/70/399481170.db2.gz	AYOKNNJBUMWNJD-HNNXBMFYSA-N	0	3	317.820	2.912	20	30		DFEDHN
COc1ccc(OC)c(CCCNCc2cccc(C#N)n2)c1	ZINC000602578667	399481492	/nfs/dbraw/zinc/48/14/92/399481492.db2.gz	PDNGFVYKVZSRBK-UHFFFAOYSA-N	0	3	311.385	2.693	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccsc1C(F)(F)F	ZINC000602580851	399482440	/nfs/dbraw/zinc/48/24/40/399482440.db2.gz	PJKVNXAARAHRHU-SNVBAGLBSA-N	0	3	319.352	2.794	20	30		DFEDHN
Cc1csc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)n1	ZINC000602603854	399487887	/nfs/dbraw/zinc/48/78/87/399487887.db2.gz	SFOXQHKNCDRWBP-QWHCGFSZSA-N	0	3	306.435	2.526	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1cccc(C#N)n1	ZINC000602619672	399492409	/nfs/dbraw/zinc/49/24/09/399492409.db2.gz	ZLJUPYZNKQKSNL-BEFAXECRSA-N	0	3	306.413	2.563	20	30		DFEDHN
CNC(=O)c1ccc([C@H]2CCCCN2C[C@@H](C)CCC#N)n1C	ZINC000602623482	399493440	/nfs/dbraw/zinc/49/34/40/399493440.db2.gz	GYNQYJUCANCCQE-GOEBONIOSA-N	0	3	316.449	2.852	20	30		DFEDHN
C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)C1=CCN(C)CC1	ZINC000611583568	399497039	/nfs/dbraw/zinc/49/70/39/399497039.db2.gz	RDDHJEVYADVZSB-CQSZACIVSA-N	0	3	322.412	2.545	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NCc1cccn(C(F)F)c1=O	ZINC000602638621	399499310	/nfs/dbraw/zinc/49/93/10/399499310.db2.gz	DJOSXAIKKPSRBX-OAHLLOKOSA-N	0	3	315.323	2.892	20	30		DFEDHN
CC(=O)NCCN(Cc1ccc(C)s1)C[C@@H](C)CCC#N	ZINC000602659196	399505919	/nfs/dbraw/zinc/50/59/19/399505919.db2.gz	PIISUVZVGJFRSE-ZDUSSCGKSA-N	0	3	307.463	2.935	20	30		DFEDHN
CN(C)CCN(Cc1ccns1)Cc1ccc(C#N)cc1	ZINC000602659247	399505730	/nfs/dbraw/zinc/50/57/30/399505730.db2.gz	KNWMAOWDMJMWAS-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
C[C@H]1[C@@H](NCc2cccc(C#N)n2)CCN1Cc1ccccc1	ZINC000602663948	399508807	/nfs/dbraw/zinc/50/88/07/399508807.db2.gz	LJNSMYAEKXWXPK-KXBFYZLASA-N	0	3	306.413	2.706	20	30		DFEDHN
COC(=O)c1ccc(CNC2CCC(C#N)CC2)nc1C1CC1	ZINC000602666080	399509982	/nfs/dbraw/zinc/50/99/82/399509982.db2.gz	JNCOIZONDCABSZ-UHFFFAOYSA-N	0	3	313.401	2.918	20	30		DFEDHN
CC(C)CO[C@H]1CCN(CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000119617532	195003540	/nfs/dbraw/zinc/00/35/40/195003540.db2.gz	SZBBUGLECDSTRR-KRWDZBQOSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000193413166	335048168	/nfs/dbraw/zinc/04/81/68/335048168.db2.gz	YUJBVUKTDXLEOG-KDOFPFPSSA-N	0	3	312.413	2.937	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1	ZINC000119900611	195058258	/nfs/dbraw/zinc/05/82/58/195058258.db2.gz	MJLKEDJJQVGDON-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CN1C(=O)C[C@H](NCc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000120038384	195085533	/nfs/dbraw/zinc/08/55/33/195085533.db2.gz	IDOZHOFZKWPRKN-PKOBYXMFSA-N	0	3	323.371	2.759	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H](CNCc1cccc(C#N)n1)C1CCC1	ZINC000602717290	399536315	/nfs/dbraw/zinc/53/63/15/399536315.db2.gz	ZJWBBEJAQQTXNE-MRXNPFEDSA-N	0	3	315.417	2.801	20	30		DFEDHN
C[C@H]1CCSCCN1CC#CCN1CCSCC[C@@H]1C	ZINC000625368548	399536262	/nfs/dbraw/zinc/53/62/62/399536262.db2.gz	BJCMZTPIBOKVML-HOTGVXAUSA-N	0	3	312.548	2.645	20	30		DFEDHN
COc1ncc(Br)cc1CNC[C@@H](C)CCC#N	ZINC000602722313	399539695	/nfs/dbraw/zinc/53/96/95/399539695.db2.gz	BFGVLGXWJJYJQE-JTQLQIEISA-N	0	3	312.211	2.882	20	30		DFEDHN
N#CCC[C@@H](NC(=O)NCCN1CCCCC1)c1ccccc1	ZINC000158971389	197315006	/nfs/dbraw/zinc/31/50/06/197315006.db2.gz	RVABYLXIUZFJDL-QGZVFWFLSA-N	0	3	314.433	2.817	20	30		DFEDHN
C[C@H]1COc2ccccc2CN1C[C@H](O)c1ccc(C#N)cc1	ZINC000272910379	210297212	/nfs/dbraw/zinc/29/72/12/210297212.db2.gz	HJPUGNMSEJTNQV-KSSFIOAISA-N	0	3	308.381	2.875	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1	ZINC000272888355	210278674	/nfs/dbraw/zinc/27/86/74/210278674.db2.gz	YYYHNONICYVBDO-YJBOKZPZSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=CCCOCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000287885066	335049805	/nfs/dbraw/zinc/04/98/05/335049805.db2.gz	MPAVKNZKEKTLNY-DOTOQJQBSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NC[C@H]2CCN2C(C)(C)C)cc1	ZINC000617007704	399569708	/nfs/dbraw/zinc/56/97/08/399569708.db2.gz	YPFFXLUXIUDBFA-MRXNPFEDSA-N	0	3	316.445	2.783	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)CC3CCCC3)CC2)CC1	ZINC000602776478	399568885	/nfs/dbraw/zinc/56/88/85/399568885.db2.gz	SIWQAUAJDSOVBF-UHFFFAOYSA-N	0	3	303.450	2.841	20	30		DFEDHN
Cc1nc(C)n([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1	ZINC000612072225	399572596	/nfs/dbraw/zinc/57/25/96/399572596.db2.gz	JTZXVOUSODBVPN-GOSISDBHSA-N	0	3	309.417	2.798	20	30		DFEDHN
N#Cc1cc(NC(=O)C2CCN(C3CC3)CC2)nc2ccccc12	ZINC000288797278	220427097	/nfs/dbraw/zinc/42/70/97/220427097.db2.gz	LIIOKKKSOOJANS-UHFFFAOYSA-N	0	3	320.396	2.919	20	30		DFEDHN
C=CCOc1ccc(CNCC(C)(C)OCCO)cc1Cl	ZINC000288445632	335052838	/nfs/dbraw/zinc/05/28/38/335052838.db2.gz	MICVWQFOQHSCOR-UHFFFAOYSA-N	0	3	313.825	2.782	20	30		DFEDHN
Cc1ccc([C@H](CN2CCOCC2)NCC2(CC#N)CC2)cc1	ZINC000602802216	399581484	/nfs/dbraw/zinc/58/14/84/399581484.db2.gz	PUIGFWQBQARESJ-SFHVURJKSA-N	0	3	313.445	2.652	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N1CCCC[C@H]1C	ZINC000612100655	399582296	/nfs/dbraw/zinc/58/22/96/399582296.db2.gz	SNDDEEBRHZZGTO-BFYDXBDKSA-N	0	3	306.454	2.585	20	30		DFEDHN
N#CCCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000612115727	399585575	/nfs/dbraw/zinc/58/55/75/399585575.db2.gz	XMBOGLTWXLXXCM-QGZVFWFLSA-N	0	3	314.433	2.502	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C[C@H](O)c2ccc(C#N)cc2)C1(C)C	ZINC000156495545	197117831	/nfs/dbraw/zinc/11/78/31/197117831.db2.gz	KONHNGDVCYZTBU-GVDBMIGSSA-N	0	3	302.418	2.727	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCCCN(C)Cc1ccccc1	ZINC000612193058	399601143	/nfs/dbraw/zinc/60/11/43/399601143.db2.gz	PTJQBWNQBFKWPI-UHFFFAOYSA-N	0	3	301.434	2.892	20	30		DFEDHN
C[C@@H]1CN(CCCOCc2ccccc2)C[C@@H](C)N1CC#N	ZINC000602853111	399603856	/nfs/dbraw/zinc/60/38/56/399603856.db2.gz	GYOVSLHJTRCUQP-IAGOWNOFSA-N	0	3	301.434	2.511	20	30		DFEDHN
COCC[C@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602856338	399604744	/nfs/dbraw/zinc/60/47/44/399604744.db2.gz	ZGCMPKZROBFAFQ-JFIYKMOQSA-N	0	3	301.434	2.682	20	30		DFEDHN
Cc1cc(-n2ccnc2)ccc1CN1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602855654	399604847	/nfs/dbraw/zinc/60/48/47/399604847.db2.gz	VKGXWPYVOFPPPB-IRXDYDNUSA-N	0	3	323.444	2.599	20	30		DFEDHN
Cc1csc(CC2(O)CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1	ZINC000602891935	399617399	/nfs/dbraw/zinc/61/73/99/399617399.db2.gz	DTFMHJDKLRYGIO-UONOGXRCSA-N	0	3	305.447	2.513	20	30		DFEDHN
C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(OCC)cc2)C1	ZINC000625702906	399618380	/nfs/dbraw/zinc/61/83/80/399618380.db2.gz	JSJFJLYQRRYFDY-INIZCTEOSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000624261447	399618973	/nfs/dbraw/zinc/61/89/73/399618973.db2.gz	SILJFYPPMFTJBT-CHWSQXEVSA-N	0	3	304.390	2.587	20	30		DFEDHN
C=CCN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC1	ZINC000271588884	209038305	/nfs/dbraw/zinc/03/83/05/209038305.db2.gz	SODOVNYSFRQTIA-HNNXBMFYSA-N	0	3	301.434	2.867	20	30		DFEDHN
Cc1cc(C)n(CCN2CCC(c3ccc(C#N)cn3)CC2)n1	ZINC000602907210	399621627	/nfs/dbraw/zinc/62/16/27/399621627.db2.gz	QAVVYQVZDBYNIG-UHFFFAOYSA-N	0	3	309.417	2.646	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C	ZINC000620912715	399630416	/nfs/dbraw/zinc/63/04/16/399630416.db2.gz	RGJLGHVFQIFEON-CVEARBPZSA-N	0	3	308.466	2.691	20	30		DFEDHN
COc1cc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)ccc1C#N	ZINC000289836964	221259563	/nfs/dbraw/zinc/25/95/63/221259563.db2.gz	MZDYQTODRLDZEE-AZUAARDMSA-N	0	3	322.408	2.823	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21	ZINC000602997834	399655653	/nfs/dbraw/zinc/65/56/53/399655653.db2.gz	RVDPRFWLSQSKNK-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1	ZINC000603068310	399670178	/nfs/dbraw/zinc/67/01/78/399670178.db2.gz	XVZDYCVLWXIRQC-HOTGVXAUSA-N	0	3	316.380	2.836	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1	ZINC000625900162	399679731	/nfs/dbraw/zinc/67/97/31/399679731.db2.gz	MBKKQEPMDHHMSJ-WMLDXEAASA-N	0	3	315.417	2.777	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000612604732	399686770	/nfs/dbraw/zinc/68/67/70/399686770.db2.gz	BXUQCAHSDUOCQW-CQSZACIVSA-N	0	3	305.809	2.816	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1)OCCNC2	ZINC000625938805	399693741	/nfs/dbraw/zinc/69/37/41/399693741.db2.gz	ALCCXMSQLGHIGP-UHFFFAOYSA-N	0	3	303.406	2.892	20	30		DFEDHN
C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1	ZINC000632634747	399704017	/nfs/dbraw/zinc/70/40/17/399704017.db2.gz	SDCNPEZRMDGRJL-KRWDZBQOSA-N	0	3	313.445	2.718	20	30		DFEDHN
CC(C)(C)[C@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1	ZINC000603242438	399720544	/nfs/dbraw/zinc/72/05/44/399720544.db2.gz	GKYJTXPMEZFHCX-CQSZACIVSA-N	0	3	303.797	2.897	20	30		DFEDHN
N#Cc1cnn(-c2ccccc2)c1NC1CCN(C2CC2)CC1	ZINC000603271320	399728236	/nfs/dbraw/zinc/72/82/36/399728236.db2.gz	OSKOAFNXAYWZHG-UHFFFAOYSA-N	0	3	307.401	2.783	20	30		DFEDHN
N#Cc1cnn(-c2ccccc2)c1N1CCN(C2CCCC2)CC1	ZINC000603271308	399728499	/nfs/dbraw/zinc/72/84/99/399728499.db2.gz	MLBHLTXZJIXFOV-UHFFFAOYSA-N	0	3	321.428	2.809	20	30		DFEDHN
C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC)C(C)C	ZINC000289312006	335061731	/nfs/dbraw/zinc/06/17/31/335061731.db2.gz	DTYARHHWDVULMA-ZFWWWQNUSA-N	0	3	318.417	2.668	20	30		DFEDHN
C=CC[C@@H]1N(C(=O)c2cnn(CCN(C)C)c2)CCCC1(C)C	ZINC000632771573	399735817	/nfs/dbraw/zinc/73/58/17/399735817.db2.gz	PVRZJXTYFHKIEA-INIZCTEOSA-N	0	3	318.465	2.652	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN(C)CCc1ccncc1	ZINC000121625158	195319623	/nfs/dbraw/zinc/31/96/23/195319623.db2.gz	HMNXZHMHCLEHAG-UHFFFAOYSA-N	0	3	311.385	2.515	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cc(C#N)c(Br)cn1	ZINC000603308305	399739445	/nfs/dbraw/zinc/73/94/45/399739445.db2.gz	GRPYZJKDNOXXBG-RNCFNFMXSA-N	0	3	321.222	2.610	20	30		DFEDHN
C#Cc1ccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1	ZINC000289508791	335063887	/nfs/dbraw/zinc/06/38/87/335063887.db2.gz	FEJDZXUGFWAHHL-LJQANCHMSA-N	0	3	308.429	2.788	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)C1CCCC1	ZINC000331403856	533544698	/nfs/dbraw/zinc/54/46/98/533544698.db2.gz	NSZVENZIUWPVPG-RISCZKNCSA-N	0	3	303.431	2.893	20	30		DFEDHN
CN(CCN1CCCCC1)c1cc(C#N)c(Br)cn1	ZINC000603398214	399765678	/nfs/dbraw/zinc/76/56/78/399765678.db2.gz	NTBVVQOVJXBQBE-UHFFFAOYSA-N	0	3	323.238	2.638	20	30		DFEDHN
C[C@@H]1CN(c2c(C#N)cnn2-c2ccccc2)CCN(C2CC2)C1	ZINC000603385307	399761211	/nfs/dbraw/zinc/76/12/11/399761211.db2.gz	QTZWKDOEPDJSOX-HNNXBMFYSA-N	0	3	321.428	2.664	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC)n2)CC1	ZINC000129510924	542625172	/nfs/dbraw/zinc/62/51/72/542625172.db2.gz	IRQZVSQVXYWZNJ-UHFFFAOYSA-N	0	3	318.421	2.642	20	30		DFEDHN
Clc1ccc(C#CCN2CCN(c3ccncc3)CC2)cc1	ZINC000151269097	542666236	/nfs/dbraw/zinc/66/62/36/542666236.db2.gz	PWWYEJOSOVHKCU-UHFFFAOYSA-N	0	3	311.816	2.909	20	30		DFEDHN
Clc1cccc(C#CCN2CCN(c3ccncc3)CC2)c1	ZINC000156976994	542704845	/nfs/dbraw/zinc/70/48/45/542704845.db2.gz	WWYPCWQMIWVWTM-UHFFFAOYSA-N	0	3	311.816	2.909	20	30		DFEDHN
C#CCCOc1ccc(CNCCc2nnc(C)s2)cc1	ZINC000289756184	335064920	/nfs/dbraw/zinc/06/49/20/335064920.db2.gz	HWOXOWOROGKGQH-UHFFFAOYSA-N	0	3	301.415	2.581	20	30		DFEDHN
C=CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-]	ZINC000184284311	335065403	/nfs/dbraw/zinc/06/54/03/335065403.db2.gz	WDBMSTKNMBPKOF-QGZVFWFLSA-N	0	3	313.397	2.998	20	30		DFEDHN
C#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cccc(OC)c2)cc1	ZINC000289806740	335065653	/nfs/dbraw/zinc/06/56/53/335065653.db2.gz	SOPFOZXJTBBTRU-ICSRJNTNSA-N	0	3	307.393	2.984	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C1	ZINC000617777823	399796585	/nfs/dbraw/zinc/79/65/85/399796585.db2.gz	XOKIOECDUOSRQT-NXHRZFHOSA-N	0	3	320.477	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(c3ccccc3)C2)CC1	ZINC000621456687	399803058	/nfs/dbraw/zinc/80/30/58/399803058.db2.gz	QHGYHQXFBDLYJH-UHFFFAOYSA-N	0	3	313.445	2.620	20	30		DFEDHN
C=C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-]	ZINC000289881880	335066876	/nfs/dbraw/zinc/06/68/76/335066876.db2.gz	SARSNQDKJXYOMU-MWLCHTKSSA-N	0	3	300.196	2.661	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1	ZINC000289888270	335066941	/nfs/dbraw/zinc/06/69/41/335066941.db2.gz	SJTMNMKSRVJTEB-NUEKZKHPSA-N	0	3	323.408	2.971	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CC)[C@H]2CCN(CC)C2)cc1	ZINC000617924067	399833216	/nfs/dbraw/zinc/83/32/16/399833216.db2.gz	MTUMBWQTNRYBSR-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=CCc1cc(CNCCc2nnc(C)s2)cc(OC)c1O	ZINC000289932563	335067121	/nfs/dbraw/zinc/06/71/21/335067121.db2.gz	TXKABDHLPMWTFV-UHFFFAOYSA-N	0	3	319.430	2.622	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H]([C@H](C)O)C2)ccc1OC	ZINC000272492139	542968028	/nfs/dbraw/zinc/96/80/28/542968028.db2.gz	DXSCWEYPZONLLL-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@H](NC(=O)CN1CCC[C@@H]1C(C)(C)C)C(=O)N1CCCCC1	ZINC000329109639	543100698	/nfs/dbraw/zinc/10/06/98/543100698.db2.gz	PZJKMZVJWMGAED-LSDHHAIUSA-N	0	3	323.481	2.854	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2sccc2C#N)C1	ZINC000052148260	425884300	/nfs/dbraw/zinc/88/43/00/425884300.db2.gz	HEQCJHYDEYRCCF-GFCCVEGCSA-N	0	3	305.447	2.860	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)c1cccc(Br)c1C#N	ZINC000168567590	145244255	/nfs/dbraw/zinc/24/42/55/145244255.db2.gz	XONPUVSPCZGVGQ-NSHDSACASA-N	0	3	308.223	2.851	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@H](CNc3ccccn3)C2)cc1	ZINC000171646024	145273969	/nfs/dbraw/zinc/27/39/69/145273969.db2.gz	IGHHHSNMTKGKBJ-QGZVFWFLSA-N	0	3	322.412	2.766	20	30		DFEDHN
C=CCOCCCC(=O)Nc1ccc(CN(C)C)cc1OC	ZINC000633374808	399894594	/nfs/dbraw/zinc/89/45/94/399894594.db2.gz	YMEWKTTVROLRSK-UHFFFAOYSA-N	0	3	306.406	2.678	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1	ZINC000633965974	399967515	/nfs/dbraw/zinc/96/75/15/399967515.db2.gz	AMVVPEVZJDHJGU-SJORKVTESA-N	0	3	322.493	2.842	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634274106	400008133	/nfs/dbraw/zinc/00/81/33/400008133.db2.gz	LYLFEGFXHDSEII-AEFFLSMTSA-N	0	3	316.445	2.667	20	30		DFEDHN
COc1ccccc1[C@@H]1CNCCN1Cc1ccc(C#N)cc1	ZINC000261694081	146261038	/nfs/dbraw/zinc/26/10/38/146261038.db2.gz	JETQEANNERNONA-SFHVURJKSA-N	0	3	307.397	2.713	20	30		DFEDHN
N#Cc1cc2c(nc1NC[C@H]1NCCc3ccccc31)CCC2	ZINC000261882482	146294846	/nfs/dbraw/zinc/29/48/46/146294846.db2.gz	MQLSNZYLSOAGKV-GOSISDBHSA-N	0	3	304.397	2.741	20	30		DFEDHN
C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C1=CCN(C)CC1	ZINC000354687715	147115938	/nfs/dbraw/zinc/11/59/38/147115938.db2.gz	UBLADUYLERNTCD-LLVKDONJSA-N	0	3	303.793	2.592	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000576697245	543453637	/nfs/dbraw/zinc/45/36/37/543453637.db2.gz	VYKNOZMGTLBCEX-RVKKMQEKSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCCN1CCC[C@@H]1CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000358271361	148313969	/nfs/dbraw/zinc/31/39/69/148313969.db2.gz	GXAWRZQYXCYVCX-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@H](NCCCNC(=O)C1CCC1)c1ccc(C#N)cc1F	ZINC000358570027	148387812	/nfs/dbraw/zinc/38/78/12/148387812.db2.gz	NFMUPZQOYXUONY-LBPRGKRZSA-N	0	3	303.381	2.654	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)oc1C)c1ccco1	ZINC000359565482	148694440	/nfs/dbraw/zinc/69/44/40/148694440.db2.gz	UXBXUYMFLZPSPU-IAQYHMDHSA-N	0	3	315.373	2.912	20	30		DFEDHN
Cc1ccncc1CN(C)CCC(=O)Nc1ccc(C#N)cc1	ZINC000361423863	149112280	/nfs/dbraw/zinc/11/22/80/149112280.db2.gz	DUYWQMITYUQKOF-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCC(C(F)F)CC1	ZINC000361691236	149193028	/nfs/dbraw/zinc/19/30/28/149193028.db2.gz	BNOUMPHVIUICJR-UHFFFAOYSA-N	0	3	313.373	2.925	20	30		DFEDHN
C[C@](CO)(CNCc1cc(C#N)cs1)Cc1ccccc1	ZINC000361737346	149204424	/nfs/dbraw/zinc/20/44/24/149204424.db2.gz	NSKBFUIROCNADA-QGZVFWFLSA-N	0	3	300.427	2.951	20	30		DFEDHN
COc1cc(C#N)ccc1CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000371343213	150026899	/nfs/dbraw/zinc/02/68/99/150026899.db2.gz	BHWQKPSXVSHWBL-DJIMGWMZSA-N	0	3	300.402	2.812	20	30		DFEDHN
Cc1ccnc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1C#N	ZINC000371691685	150081507	/nfs/dbraw/zinc/08/15/07/150081507.db2.gz	CACMKIHSBKUVLM-HLLBOEOZSA-N	0	3	314.433	2.563	20	30		DFEDHN
N#Cc1cnccc1NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000372226824	150151701	/nfs/dbraw/zinc/15/17/01/150151701.db2.gz	JPJZXELMFZFCOX-CQSZACIVSA-N	0	3	312.442	2.761	20	30		DFEDHN
N#Cc1c(F)cccc1C(=O)N1CCC[C@H](N2CCCCC2)C1	ZINC000372919546	150201431	/nfs/dbraw/zinc/20/14/31/150201431.db2.gz	CQOBGPYWLZMXNF-AWEZNQCLSA-N	0	3	315.392	2.788	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1	ZINC000373821166	150262469	/nfs/dbraw/zinc/26/24/69/150262469.db2.gz	HBINWXPOGQXBSB-SFHVURJKSA-N	0	3	308.429	2.603	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1	ZINC000373821161	150262611	/nfs/dbraw/zinc/26/26/11/150262611.db2.gz	HBINWXPOGQXBSB-GOSISDBHSA-N	0	3	308.429	2.603	20	30		DFEDHN
COc1cc(CN2CCC[C@@H](c3ccnn3C)C2)ccc1C#N	ZINC000374206367	150322123	/nfs/dbraw/zinc/32/21/23/150322123.db2.gz	SGYRLZDJJVZYMO-MRXNPFEDSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000246387496	158090157	/nfs/dbraw/zinc/09/01/57/158090157.db2.gz	VGWRPQNWPHCFQE-CRAIPNDOSA-N	0	3	322.408	2.917	20	30		DFEDHN
CNC(=O)C1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1	ZINC000358581464	158391358	/nfs/dbraw/zinc/39/13/58/158391358.db2.gz	YKPLCFGGTCEFSC-XGNXJENSSA-N	0	3	303.381	2.653	20	30		DFEDHN
C[C@H](NCCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1F	ZINC000358594735	158392205	/nfs/dbraw/zinc/39/22/05/158392205.db2.gz	TVTRNUAADNMXLS-ZFWWWQNUSA-N	0	3	306.381	2.791	20	30		DFEDHN
N#Cc1cccnc1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000368133207	158610553	/nfs/dbraw/zinc/61/05/53/158610553.db2.gz	UAVGWHYYCNDKNN-RBUKOAKNSA-N	0	3	318.424	2.912	20	30		DFEDHN
C[C@H](O)CN(C)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000130705037	196102698	/nfs/dbraw/zinc/10/26/98/196102698.db2.gz	SOWRYEWTBZSCQL-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCN(C)C)cc1	ZINC000130973841	196128863	/nfs/dbraw/zinc/12/88/63/196128863.db2.gz	VSTVVOWJQDEEPH-UHFFFAOYSA-N	0	3	323.396	2.950	20	30		DFEDHN
C#CCOc1ccccc1CNCCC(=O)NC1CCCCC1	ZINC000054202957	425889747	/nfs/dbraw/zinc/88/97/47/425889747.db2.gz	SDNLIUJHHPHHBL-UHFFFAOYSA-N	0	3	314.429	2.627	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1	ZINC000290420649	335073348	/nfs/dbraw/zinc/07/33/48/335073348.db2.gz	JPDQBBMLOLUXSW-CJNGLKHVSA-N	0	3	308.397	2.526	20	30		DFEDHN
C=CC[C@@H]1CCCN(Cc2cccc(NS(C)(=O)=O)c2)C1	ZINC000668492833	543814669	/nfs/dbraw/zinc/81/46/69/543814669.db2.gz	HDTOJZURFLSWNH-CQSZACIVSA-N	0	3	308.447	2.846	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CC1	ZINC000668370346	543798869	/nfs/dbraw/zinc/79/88/69/543798869.db2.gz	VKRWLGBFHPDBNC-HOCLYGCPSA-N	0	3	312.404	2.969	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1conc1CC)C(C)C	ZINC000668682732	543844843	/nfs/dbraw/zinc/84/48/43/543844843.db2.gz	NIKRFUUOWCYCDZ-MRXNPFEDSA-N	0	3	305.422	2.665	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC(N2CCc3cc(F)ccc32)CC1	ZINC000669936798	544009106	/nfs/dbraw/zinc/00/91/06/544009106.db2.gz	ASWPCTIVRDTFDA-GOSISDBHSA-N	0	3	304.409	2.590	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C)C(C)(C)n2cncn2)cc1	ZINC000290640979	335074310	/nfs/dbraw/zinc/07/43/10/335074310.db2.gz	JMNATJQTXJZTCT-CQSZACIVSA-N	0	3	300.406	2.756	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc(C(F)F)cc2)CC1	ZINC000184622726	335082136	/nfs/dbraw/zinc/08/21/36/335082136.db2.gz	PHEVCBKGYHEIJY-UHFFFAOYSA-N	0	3	306.356	2.586	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000674933942	544278272	/nfs/dbraw/zinc/27/82/72/544278272.db2.gz	MRAXUEPQAVEIOK-INIZCTEOSA-N	0	3	301.434	2.787	20	30		DFEDHN
COCC#CCN(Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000677816769	544545677	/nfs/dbraw/zinc/54/56/77/544545677.db2.gz	BTQAUSKTVWMKJD-UHFFFAOYSA-N	0	3	301.386	2.810	20	30		DFEDHN
COCC#CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	ZINC000677818360	544546298	/nfs/dbraw/zinc/54/62/98/544546298.db2.gz	JOIOBGSONABIIF-UHFFFAOYSA-N	0	3	315.392	2.730	20	30		DFEDHN
C=C[C@H](CC(=O)N[C@H]1CCCN(CCOC)C1)c1ccccc1	ZINC000677541710	544503796	/nfs/dbraw/zinc/50/37/96/544503796.db2.gz	SXLQOFRGCCVWBU-AEFFLSMTSA-N	0	3	316.445	2.573	20	30		DFEDHN
C[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1C#N	ZINC000299505690	229163061	/nfs/dbraw/zinc/16/30/61/229163061.db2.gz	BVOWKVXVNUGBTL-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
COCC#CCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1	ZINC000679174927	544796188	/nfs/dbraw/zinc/79/61/88/544796188.db2.gz	KBYHUWYTNZYAAV-INIZCTEOSA-N	0	3	316.449	2.682	20	30		DFEDHN
COCC#CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1	ZINC000679174927	544796192	/nfs/dbraw/zinc/79/61/92/544796192.db2.gz	KBYHUWYTNZYAAV-INIZCTEOSA-N	0	3	316.449	2.682	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nn1	ZINC000301962131	230005172	/nfs/dbraw/zinc/00/51/72/230005172.db2.gz	MXMHZWWOSZMAGR-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
C=CCOCCN[C@H](C)c1ccc(OCc2nccn2C)cc1	ZINC000679576318	544880171	/nfs/dbraw/zinc/88/01/71/544880171.db2.gz	NJFALSCZCZDFHX-OAHLLOKOSA-N	0	3	315.417	2.852	20	30		DFEDHN
CN(C)[C@@H](CNc1nc2ccccn2c1C#N)c1ccccc1	ZINC000302114430	230101748	/nfs/dbraw/zinc/10/17/48/230101748.db2.gz	VQPIHLCHBZSECH-INIZCTEOSA-N	0	3	305.385	2.921	20	30		DFEDHN
C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCC[C@H](C)C1	ZINC000302199948	230155089	/nfs/dbraw/zinc/15/50/89/230155089.db2.gz	GVSGIQDZMKIPBX-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1ccc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)nc1C#N	ZINC000302615310	230321554	/nfs/dbraw/zinc/32/15/54/230321554.db2.gz	FSYVRXAMEVFQEM-WBVHZDCISA-N	0	3	321.428	2.979	20	30		DFEDHN
N#CC1CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000057879154	425897072	/nfs/dbraw/zinc/89/70/72/425897072.db2.gz	VTEKIGVHEFAYGK-SFHVURJKSA-N	0	3	311.429	2.806	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N(C)CC12CC3CC(CC(C3)C1)C2	ZINC000057979164	425897247	/nfs/dbraw/zinc/89/72/47/425897247.db2.gz	NDLHTTHPDHLRSA-DGTBMVLOSA-N	0	3	317.477	2.895	20	30		DFEDHN
C=CCN(CCc1ccccc1)CCn1c(C)csc1=O	ZINC000065959702	425903191	/nfs/dbraw/zinc/90/31/91/425903191.db2.gz	KBQJPICLBUFJOP-UHFFFAOYSA-N	0	3	302.443	2.949	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2sccc2C#N)C1	ZINC000067207462	425909035	/nfs/dbraw/zinc/90/90/35/425909035.db2.gz	AKSKRXRDFGMZKU-CQSZACIVSA-N	0	3	311.410	2.753	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(CCSC)cc2)CC1	ZINC000067854924	425913847	/nfs/dbraw/zinc/91/38/47/425913847.db2.gz	MFCXYAXRTCEJBU-UHFFFAOYSA-N	0	3	316.470	2.876	20	30		DFEDHN
N#Cc1ccc(CC(=O)N2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000068132305	425916234	/nfs/dbraw/zinc/91/62/34/425916234.db2.gz	VELDWMRKYJUMFE-GOSISDBHSA-N	0	3	311.429	2.578	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000515817453	269894625	/nfs/dbraw/zinc/89/46/25/269894625.db2.gz	TZQYCEAQCGXJJY-WFASDCNBSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000068587591	425918995	/nfs/dbraw/zinc/91/89/95/425918995.db2.gz	UXKVONGGRRHDBF-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)nc1	ZINC000348898631	269917437	/nfs/dbraw/zinc/91/74/37/269917437.db2.gz	YMYUZIMLYOPBOC-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
Cc1cocc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000528276680	269922150	/nfs/dbraw/zinc/92/21/50/269922150.db2.gz	HYBQGDRYPRHIJR-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000068845430	425921873	/nfs/dbraw/zinc/92/18/73/425921873.db2.gz	PBSYKLGFLBGZTI-KRWDZBQOSA-N	0	3	314.360	2.569	20	30		DFEDHN
N#Cc1ccc(OC2CCN(CCC3(O)CCC3)CC2)cc1	ZINC000411231240	270000016	/nfs/dbraw/zinc/00/00/16/270000016.db2.gz	XKNZFSNWYBYZFD-UHFFFAOYSA-N	0	3	300.402	2.707	20	30		DFEDHN
CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc(C#N)cc1	ZINC000417724779	270000394	/nfs/dbraw/zinc/00/03/94/270000394.db2.gz	ODMXASGGJWVAER-GOSISDBHSA-N	0	3	322.412	2.620	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2ccc(F)cc2)ccc1C#N	ZINC000488084647	270002153	/nfs/dbraw/zinc/00/21/53/270002153.db2.gz	RJPNURNBVTZECS-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
N#Cc1ccc(/C=C\C(=O)N2CCN(C3CCCC3)CC2)cc1	ZINC000490788124	270002440	/nfs/dbraw/zinc/00/24/40/270002440.db2.gz	DUJASCBFLMRRTJ-KTKRTIGZSA-N	0	3	309.413	2.658	20	30		DFEDHN
CN(C)CCN(C(=O)Cc1cccc(C#N)c1)C1CCCCC1	ZINC000531392937	270002764	/nfs/dbraw/zinc/00/27/64/270002764.db2.gz	NZCKMHJBBPBBCW-UHFFFAOYSA-N	0	3	313.445	2.824	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000156084736	425932377	/nfs/dbraw/zinc/93/23/77/425932377.db2.gz	CFHFOMUIYGKDNA-AWEZNQCLSA-N	0	3	318.421	2.749	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1	ZINC000124723103	425934404	/nfs/dbraw/zinc/93/44/04/425934404.db2.gz	YPRNILNYYADCLZ-FZMZJTMJSA-N	0	3	323.824	2.781	20	30		DFEDHN
C=C(C)CNC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000156462501	425934796	/nfs/dbraw/zinc/93/47/96/425934796.db2.gz	CKGPSZQFSKUQPW-UHFFFAOYSA-N	0	3	311.495	2.613	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN(CCO)[C@@H]2CCc3ccccc32)cc1	ZINC000156648727	425935537	/nfs/dbraw/zinc/93/55/37/425935537.db2.gz	KCFCFVASLGFZDD-UXHICEINSA-N	0	3	322.408	2.573	20	30		DFEDHN
CCCN1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000156961974	425936694	/nfs/dbraw/zinc/93/66/94/425936694.db2.gz	FNBQKILROZTRBQ-UHFFFAOYSA-N	0	3	301.434	2.897	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000348480637	266346515	/nfs/dbraw/zinc/34/65/15/266346515.db2.gz	RWRCFBUYWYIEIF-HUUCEWRRSA-N	0	3	303.431	2.761	20	30		DFEDHN
CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F	ZINC000348468265	266369037	/nfs/dbraw/zinc/36/90/37/266369037.db2.gz	XNBQVVYQISDMFM-CHWSQXEVSA-N	0	3	309.291	2.698	20	30		DFEDHN
CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000348276634	266369270	/nfs/dbraw/zinc/36/92/70/266369270.db2.gz	LBYHHAQVTZBCTJ-LSDHHAIUSA-N	0	3	324.409	2.965	20	30		DFEDHN
CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1nccs1	ZINC000348276632	266406386	/nfs/dbraw/zinc/40/63/86/266406386.db2.gz	LBYHHAQVTZBCTJ-GJZGRUSLSA-N	0	3	324.409	2.965	20	30		DFEDHN
CCc1nocc1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000353497028	266461207	/nfs/dbraw/zinc/46/12/07/266461207.db2.gz	NUZKCLFCFLMSTQ-UHFFFAOYSA-N	0	3	312.417	2.672	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(F)c1C#N	ZINC000344628195	266586281	/nfs/dbraw/zinc/58/62/81/266586281.db2.gz	ZIUFOQUURUDDLL-HNNXBMFYSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC(C)CC1	ZINC000351641955	266930891	/nfs/dbraw/zinc/93/08/91/266930891.db2.gz	RBDJEZVWHHYABW-ZDUSSCGKSA-N	0	3	303.381	2.548	20	30		DFEDHN
CCCCN(C)CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425461849	267005806	/nfs/dbraw/zinc/00/58/06/267005806.db2.gz	CSKFSEZUDUMGSY-OAHLLOKOSA-N	0	3	316.449	2.993	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC)C1	ZINC000413815835	267014697	/nfs/dbraw/zinc/01/46/97/267014697.db2.gz	HVXMFJZHKJPFBQ-QGZVFWFLSA-N	0	3	314.433	2.574	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCc1cccc(C#N)c1	ZINC000341101331	267017852	/nfs/dbraw/zinc/01/78/52/267017852.db2.gz	KWECCKWEIYXUBN-GASCZTMLSA-N	0	3	314.433	2.620	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416343207	267018701	/nfs/dbraw/zinc/01/87/01/267018701.db2.gz	REDRETSTFNCZIL-ZWKOTPCHSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CCN(C2CCC2)C1	ZINC000344715416	267043176	/nfs/dbraw/zinc/04/31/76/267043176.db2.gz	OETSGCLMVXIOSE-ZDUSSCGKSA-N	0	3	315.392	2.644	20	30		DFEDHN
C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(Br)cc1C#N	ZINC000347002842	267045981	/nfs/dbraw/zinc/04/59/81/267045981.db2.gz	DNFVOKFXZAJKQJ-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000337008878	267046418	/nfs/dbraw/zinc/04/64/18/267046418.db2.gz	DFHNRKBQNGWSNB-RNCFNFMXSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@@]1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCS1	ZINC000280158645	267115873	/nfs/dbraw/zinc/11/58/73/267115873.db2.gz	RXTAYRRPXIRPQH-WBVHZDCISA-N	0	3	313.426	2.642	20	30		DFEDHN
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1	ZINC000451586978	267132576	/nfs/dbraw/zinc/13/25/76/267132576.db2.gz	AXPBVGOKXKFJII-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
CCO[C@@]1(C)C[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000527782880	267154763	/nfs/dbraw/zinc/15/47/63/267154763.db2.gz	LOAVJKSUIFTXCM-AEFFLSMTSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000349252430	267175202	/nfs/dbraw/zinc/17/52/02/267175202.db2.gz	MKJHADNUIRAVLU-XJKSGUPXSA-N	0	3	304.353	2.513	20	30		DFEDHN
C[C@H]1CN(Cc2ccc(Br)cc2C#N)[C@@H](C)CN1C	ZINC000347002843	267232479	/nfs/dbraw/zinc/23/24/79/267232479.db2.gz	DNFVOKFXZAJKQJ-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1nc(C#N)cs1	ZINC000352899177	267234776	/nfs/dbraw/zinc/23/47/76/267234776.db2.gz	QKNBEDIEEWSOSU-XJKSGUPXSA-N	0	3	312.442	2.625	20	30		DFEDHN
CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)c(F)c1	ZINC000421337455	267259109	/nfs/dbraw/zinc/25/91/09/267259109.db2.gz	CHYZAKMXCIOHFQ-HOTGVXAUSA-N	0	3	314.364	2.534	20	30		DFEDHN
CN(C)CC(C)(C)NCc1cc(C#N)ccc1Br	ZINC000459567882	267278361	/nfs/dbraw/zinc/27/83/61/267278361.db2.gz	WYVUWGWXQDOXKY-UHFFFAOYSA-N	0	3	310.239	2.751	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)cn3)n2)cc1	ZINC000530632807	267281831	/nfs/dbraw/zinc/28/18/31/267281831.db2.gz	MPDVSDAZWBAADP-UHFFFAOYSA-N	0	3	305.341	2.732	20	30		DFEDHN
CN(C)[C@@H]1CCOc2c(NCc3cc(C#N)n(C)c3)cccc21	ZINC000433191905	267288302	/nfs/dbraw/zinc/28/83/02/267288302.db2.gz	IOOZAYJSZFRJRY-QGZVFWFLSA-N	0	3	310.401	2.894	20	30		DFEDHN
CN(C)c1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000419841999	267296356	/nfs/dbraw/zinc/29/63/56/267296356.db2.gz	KZFABEBTCGKMSK-QGZVFWFLSA-N	0	3	309.417	2.525	20	30		DFEDHN
CN(C[C@H]1CCCN1C)c1c(C#N)cnc2c(F)cc(F)cc21	ZINC000420628987	267310212	/nfs/dbraw/zinc/31/02/12/267310212.db2.gz	BSWXSGGXSXYLDN-CYBMUJFWSA-N	0	3	316.355	2.915	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1Cl)C1(CCO)CCOCC1	ZINC000439453273	267315801	/nfs/dbraw/zinc/31/58/01/267315801.db2.gz	PSJYXZJMLNYFJP-UHFFFAOYSA-N	0	3	308.809	2.575	20	30		DFEDHN
Cc1cc(N2CCN(C)[C@H](Cc3ccccc3)C2)cc(C#N)n1	ZINC000343644502	267336938	/nfs/dbraw/zinc/33/69/38/267336938.db2.gz	FNDWZKNOJBXCAC-LJQANCHMSA-N	0	3	306.413	2.625	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000413623703	267340014	/nfs/dbraw/zinc/34/00/14/267340014.db2.gz	HZKNHOGSUUUFPL-INDMIFKZSA-N	0	3	323.440	2.604	20	30		DFEDHN
COCCN(CCOc1ccccc1C#N)[C@H]1CCCSC1	ZINC000433197904	267455064	/nfs/dbraw/zinc/45/50/64/267455064.db2.gz	USRYSRYHTCQLRV-INIZCTEOSA-N	0	3	320.458	2.781	20	30		DFEDHN
Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1C#N	ZINC000428794858	267993752	/nfs/dbraw/zinc/99/37/52/267993752.db2.gz	OTZJXUBZQBAIMW-GOSISDBHSA-N	0	3	318.380	2.787	20	30		DFEDHN
CCN(CCN1CCOC[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1	ZINC000191459477	268000546	/nfs/dbraw/zinc/00/05/46/268000546.db2.gz	IZLYQYQTLTUUJM-HOTGVXAUSA-N	0	3	301.434	2.662	20	30		DFEDHN
COC(=O)[C@@](C)(CNCc1ccc(C#N)cc1)c1ccccc1	ZINC000191579156	268006204	/nfs/dbraw/zinc/00/62/04/268006204.db2.gz	CSSWENVANWMLIB-IBGZPJMESA-N	0	3	308.381	2.779	20	30		DFEDHN
COC(=O)[C@](C)(CNCc1ccc(C#N)cc1)c1ccccc1	ZINC000191579144	268006488	/nfs/dbraw/zinc/00/64/88/268006488.db2.gz	CSSWENVANWMLIB-LJQANCHMSA-N	0	3	308.381	2.779	20	30		DFEDHN
COC(=O)[C@](C)(CNCc1cc(C#N)cs1)c1ccccc1	ZINC000191579421	268006613	/nfs/dbraw/zinc/00/66/13/268006613.db2.gz	WESZERSPEFWCND-QGZVFWFLSA-N	0	3	314.410	2.840	20	30		DFEDHN
CCC[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000047011022	425867799	/nfs/dbraw/zinc/86/77/99/425867799.db2.gz	VMEHGUGKUDIFTG-OAHLLOKOSA-N	0	3	301.434	2.885	20	30		DFEDHN
Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1C#N	ZINC000425270597	268063904	/nfs/dbraw/zinc/06/39/04/268063904.db2.gz	ALQGOWNACLNJNW-PKOBYXMFSA-N	0	3	318.424	2.972	20	30		DFEDHN
Cc1ccsc1[C@@H](CO)NCCOc1cccc(C#N)c1	ZINC000494648866	268066885	/nfs/dbraw/zinc/06/68/85/268066885.db2.gz	LVYFTQABTWFCOO-OAHLLOKOSA-N	0	3	302.399	2.630	20	30		DFEDHN
COC(=O)c1ccc(CN(C)CCOc2ccccc2C#N)cc1	ZINC000193751132	268078486	/nfs/dbraw/zinc/07/84/86/268078486.db2.gz	ABGSDYIKYKUMGB-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1	ZINC000332312023	268084364	/nfs/dbraw/zinc/08/43/64/268084364.db2.gz	MVYMTBAEXWRILI-KSZLIROESA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2cccs2)cc1	ZINC000347975886	268090432	/nfs/dbraw/zinc/09/04/32/268090432.db2.gz	WZCFMHBTJZKZQZ-OAHLLOKOSA-N	0	3	309.394	2.661	20	30		DFEDHN
N#Cc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)nc1	ZINC000349862546	268118919	/nfs/dbraw/zinc/11/89/19/268118919.db2.gz	WOXJVLQOHWOBTG-RTBURBONSA-N	0	3	318.424	2.879	20	30		DFEDHN
Cn1cc(CNCCOc2ccc(Cl)c(F)c2)cc1C#N	ZINC000449483586	268129129	/nfs/dbraw/zinc/12/91/29/268129129.db2.gz	AYQJLFFUVXIGNN-UHFFFAOYSA-N	0	3	307.756	2.858	20	30		DFEDHN
Cc1cc(C)n(CCN2CCCN(c3ccccc3C#N)CC2)n1	ZINC000264544955	268173239	/nfs/dbraw/zinc/17/32/39/268173239.db2.gz	FFCPOQDWJGSSBT-UHFFFAOYSA-N	0	3	323.444	2.584	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@H](N[C@@H](CO)Cc1ccc(F)cc1)CC2	ZINC000353279236	268223626	/nfs/dbraw/zinc/22/36/26/268223626.db2.gz	VEGQELFAPLWKED-IEBWSBKVSA-N	0	3	310.372	2.878	20	30		DFEDHN
N#Cc1ccc(CNCCc2cccc3c2OC(F)(F)O3)o1	ZINC000527755454	268233344	/nfs/dbraw/zinc/23/33/44/268233344.db2.gz	RAACLUIFVRDYPJ-UHFFFAOYSA-N	0	3	306.268	2.805	20	30		DFEDHN
N#Cc1cc2c(nc1N1CC[C@@H](N3CCCCC3)C1)CCCC2	ZINC000270926680	268236746	/nfs/dbraw/zinc/23/67/46/268236746.db2.gz	HCWHDYRSSBLPLX-QGZVFWFLSA-N	0	3	310.445	2.897	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@@H](OCC3CC3)C2)c1	ZINC000494656812	268285125	/nfs/dbraw/zinc/28/51/25/268285125.db2.gz	XEKSBYJDQRRNLL-GOSISDBHSA-N	0	3	300.402	2.828	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1	ZINC000425244742	268292066	/nfs/dbraw/zinc/29/20/66/268292066.db2.gz	VMLRDWWPUTXWNN-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
COCCN1CCC(Nc2nc3ccccc3c(C)c2C#N)CC1	ZINC000295528611	268293694	/nfs/dbraw/zinc/29/36/94/268293694.db2.gz	NDCSWJDHFUZTRV-UHFFFAOYSA-N	0	3	324.428	2.938	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@@H]3CCCc4ccccc43)cnc12	ZINC000515876757	268318482	/nfs/dbraw/zinc/31/84/82/268318482.db2.gz	KJDSDMFCSHKAGL-QGZVFWFLSA-N	0	3	303.369	2.768	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)SCCN(C)C	ZINC000157910446	425939435	/nfs/dbraw/zinc/93/94/35/425939435.db2.gz	NUSMQPJESBNNDS-CYBMUJFWSA-N	0	3	312.504	2.946	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1cnc(C#N)cn1	ZINC000126008068	426001036	/nfs/dbraw/zinc/00/10/36/426001036.db2.gz	JXKYFCBLNPKLAL-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
CC[C@@H](SC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000126086224	426004629	/nfs/dbraw/zinc/00/46/29/426004629.db2.gz	UJTAQUWHYPOHOY-MRXNPFEDSA-N	0	3	319.474	2.590	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000158962082	425950959	/nfs/dbraw/zinc/95/09/59/425950959.db2.gz	JZQLEHCCSQLYRG-HOCLYGCPSA-N	0	3	302.418	2.710	20	30		DFEDHN
N#Cc1ccc(CNCc2cccc(CN3CCCC3=O)c2)cc1	ZINC000069679681	425953573	/nfs/dbraw/zinc/95/35/73/425953573.db2.gz	OJHJYAWTDVRPGM-UHFFFAOYSA-N	0	3	319.408	2.970	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1	ZINC000105267869	425966164	/nfs/dbraw/zinc/96/61/64/425966164.db2.gz	AJFWVUUZHBRSOG-OAHLLOKOSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCOc3ccccc32)CC1	ZINC000106034474	425970178	/nfs/dbraw/zinc/97/01/78/425970178.db2.gz	LDNOHCHAAMNJTH-KRWDZBQOSA-N	0	3	314.429	2.709	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3)c2)CC1	ZINC000106038724	425970415	/nfs/dbraw/zinc/97/04/15/425970415.db2.gz	BLDFHVXWBWPUSY-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)OCc2ccccc2)CC1	ZINC000106035712	425970649	/nfs/dbraw/zinc/97/06/49/425970649.db2.gz	MGHYYYUTJDYKOG-INIZCTEOSA-N	0	3	316.445	2.748	20	30		DFEDHN
C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)S1	ZINC000070383272	425971132	/nfs/dbraw/zinc/97/11/32/425971132.db2.gz	GUAYWRSMBAEVOS-CHWSQXEVSA-N	0	3	303.431	2.713	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3ccccc3C2)CC1	ZINC000106276091	425971708	/nfs/dbraw/zinc/97/17/08/425971708.db2.gz	CAHAIEHYMIALKW-UHFFFAOYSA-N	0	3	313.445	2.795	20	30		DFEDHN
Cc1noc(C)c1CN[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000109077977	426028108	/nfs/dbraw/zinc/02/81/08/426028108.db2.gz	GFRVMBNFYIBFAP-INIZCTEOSA-N	0	3	310.401	2.922	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccco1)C(C)C	ZINC000073844136	426032574	/nfs/dbraw/zinc/03/25/74/426032574.db2.gz	PYAYFURTFHSIGN-INIZCTEOSA-N	0	3	305.422	2.777	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(Cl)nc2C)CC1	ZINC000126873426	426041316	/nfs/dbraw/zinc/04/13/16/426041316.db2.gz	QQDLAJAVOQSELR-UHFFFAOYSA-N	0	3	307.825	2.814	20	30		DFEDHN
Cc1nc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)ccc1C#N	ZINC000072018198	426007347	/nfs/dbraw/zinc/00/73/47/426007347.db2.gz	OYKRAVMQLAZUNX-ZDUSSCGKSA-N	0	3	314.433	2.502	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CC[C@H](N(CC)CC)C2)c1C	ZINC000072834392	426021365	/nfs/dbraw/zinc/02/13/65/426021365.db2.gz	JGNSTHCRMIRRMC-KRWDZBQOSA-N	0	3	317.477	2.890	20	30		DFEDHN
CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000072837568	426021449	/nfs/dbraw/zinc/02/14/49/426021449.db2.gz	LALHOVVXEXPVBI-KFWWJZLASA-N	0	3	311.495	2.601	20	30		DFEDHN
CC[C@@H](C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163102003	426090188	/nfs/dbraw/zinc/09/01/88/426090188.db2.gz	PMCYHBIHFAMCBE-KGLIPLIRSA-N	0	3	308.447	2.746	20	30		DFEDHN
CC1(C)CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163107387	426090364	/nfs/dbraw/zinc/09/03/64/426090364.db2.gz	WHWJIHQBKQHBJZ-OAHLLOKOSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000127948568	426093985	/nfs/dbraw/zinc/09/39/85/426093985.db2.gz	DEUHIVLNWREYMO-SJLPKXTDSA-N	0	3	300.402	2.564	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](CC)OC2CCCC2)CC1	ZINC000112905838	426097334	/nfs/dbraw/zinc/09/73/34/426097334.db2.gz	IOZPFKPBJDSSKK-KRWDZBQOSA-N	0	3	308.466	2.881	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)N1CCC[C@@H](C)C1	ZINC000076083436	426099022	/nfs/dbraw/zinc/09/90/22/426099022.db2.gz	VGXGMGJFRNOSSR-CABCVRRESA-N	0	3	314.433	2.995	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000163739274	426108306	/nfs/dbraw/zinc/10/83/06/426108306.db2.gz	CBJLPPONLYDNOU-CQSZACIVSA-N	0	3	307.463	2.835	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000128528658	426121673	/nfs/dbraw/zinc/12/16/73/426121673.db2.gz	GCHPMJVPPGVXGX-OAHLLOKOSA-N	0	3	301.434	2.833	20	30		DFEDHN
N#Cc1cccc(CNCc2ccc(CN3CCCC3=O)cc2)c1	ZINC000077374496	426130222	/nfs/dbraw/zinc/13/02/22/426130222.db2.gz	DZLTYAJDTHGYKH-UHFFFAOYSA-N	0	3	319.408	2.970	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000077497812	426136641	/nfs/dbraw/zinc/13/66/41/426136641.db2.gz	ACOYVHHPJREUKP-GFCCVEGCSA-N	0	3	304.369	2.693	20	30		DFEDHN
CCc1cc(N2CCC[C@@H](NCc3ccc(C#N)cc3)C2)ncn1	ZINC000112504857	426080600	/nfs/dbraw/zinc/08/06/00/426080600.db2.gz	PUFWRRORUCROSN-GOSISDBHSA-N	0	3	321.428	2.669	20	30		DFEDHN
N#Cc1cccc(OCCN2CC[C@@H](CNc3ccccn3)C2)c1	ZINC000171640961	426200999	/nfs/dbraw/zinc/20/09/99/426200999.db2.gz	QULFNSMRZLUQBY-KRWDZBQOSA-N	0	3	322.412	2.766	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2ccccc2C)CC1	ZINC000171720325	426206728	/nfs/dbraw/zinc/20/67/28/426206728.db2.gz	NGUGONMCOKQXSN-UHFFFAOYSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000171724893	426206777	/nfs/dbraw/zinc/20/67/77/426206777.db2.gz	UETQYIJJIAOUIT-UHFFFAOYSA-N	0	3	323.780	2.628	20	30		DFEDHN
C[C@@H](O)CN(CC(=O)Nc1sccc1C#N)C1CCCCC1	ZINC000170691248	426145693	/nfs/dbraw/zinc/14/56/93/426145693.db2.gz	MOVDDSBTNICKFQ-GFCCVEGCSA-N	0	3	321.446	2.574	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000115254491	426158497	/nfs/dbraw/zinc/15/84/97/426158497.db2.gz	XSUSHPIRMHNASV-CGZBRXJRSA-N	0	3	308.466	2.691	20	30		DFEDHN
C#CCCCCNC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000132822955	426171029	/nfs/dbraw/zinc/17/10/29/426171029.db2.gz	FTBFHHKHFHNSCW-UHFFFAOYSA-N	0	3	313.445	2.754	20	30		DFEDHN
N#CC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCC1	ZINC000134664026	426192077	/nfs/dbraw/zinc/19/20/77/426192077.db2.gz	GXRBZPMQFJZLAP-UHFFFAOYSA-N	0	3	303.450	2.795	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000079495721	426194798	/nfs/dbraw/zinc/19/47/98/426194798.db2.gz	IRVCKVHPQSLCPA-QGZVFWFLSA-N	0	3	316.449	2.676	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cccs2)CC1	ZINC000171712723	426206566	/nfs/dbraw/zinc/20/65/66/426206566.db2.gz	HZQSQQBGZHYTSC-ZDUSSCGKSA-N	0	3	307.463	2.629	20	30		DFEDHN
CCOC(=O)N[C@H](CNCc1cc(C#N)cs1)CC(C)C	ZINC000083448729	426229233	/nfs/dbraw/zinc/22/92/33/426229233.db2.gz	VWCJIRGPLNYXFO-ZDUSSCGKSA-N	0	3	309.435	2.870	20	30		DFEDHN
CN(CCCNC(=O)c1cc(C#N)cs1)Cc1ccccc1	ZINC000084072330	426232159	/nfs/dbraw/zinc/23/21/59/426232159.db2.gz	IQCDALOUBPJUKM-UHFFFAOYSA-N	0	3	313.426	2.872	20	30		DFEDHN
C[C@@H]1SCCN(CCC(=O)Nc2sccc2C#N)[C@H]1C	ZINC000118413319	426236135	/nfs/dbraw/zinc/23/61/35/426236135.db2.gz	OGELAZULBGRDMG-QWRGUYRKSA-N	0	3	309.460	2.774	20	30		DFEDHN
N#CCc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1	ZINC000136738684	426245886	/nfs/dbraw/zinc/24/58/86/426245886.db2.gz	XNYPNNMATZNNRM-UHFFFAOYSA-N	0	3	310.401	2.621	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/SCc2ccco2)CC1	ZINC000084974675	426248217	/nfs/dbraw/zinc/24/82/17/426248217.db2.gz	UKGBYZWUOCTHTG-KPKJPENVSA-N	0	3	306.431	2.793	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1ccc(C#N)cc1	ZINC000085392511	426251183	/nfs/dbraw/zinc/25/11/83/426251183.db2.gz	XMODCKIKBHRYOF-KEYYUXOJSA-N	0	3	314.433	2.601	20	30		DFEDHN
C[C@@H](CNCc1ccc(C#N)o1)CN(C)C(=O)OC(C)(C)C	ZINC000174382063	426255582	/nfs/dbraw/zinc/25/55/82/426255582.db2.gz	KYRYRTOZVYBJDQ-LBPRGKRZSA-N	0	3	307.394	2.744	20	30		DFEDHN
C[C@@H](CNCc1cnc2ccc(C#N)cn12)Oc1ccc(F)cc1	ZINC000174603042	426260066	/nfs/dbraw/zinc/26/00/66/426260066.db2.gz	JOHMEYJGIMYUIA-ZDUSSCGKSA-N	0	3	324.359	2.902	20	30		DFEDHN
CCc1cnc(CCNCc2cnc3ccc(C#N)cn23)s1	ZINC000174624288	426261103	/nfs/dbraw/zinc/26/11/03/426261103.db2.gz	UESAANFBZFRXTD-UHFFFAOYSA-N	0	3	311.414	2.557	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1Cc1ccccc1	ZINC000119141192	426264628	/nfs/dbraw/zinc/26/46/28/426264628.db2.gz	JQTMDUDUJNIHPD-HOCLYGCPSA-N	0	3	322.412	2.669	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2cccc(F)c2)CC1	ZINC000171717252	426206856	/nfs/dbraw/zinc/20/68/56/426206856.db2.gz	XFGZDEJVYDYEHS-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccnc(SCC)c2)CC1	ZINC000171715592	426207199	/nfs/dbraw/zinc/20/71/99/426207199.db2.gz	SRWHCWUFFCAKDX-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC)c2nc(C)cs2)CC1	ZINC000171735638	426207615	/nfs/dbraw/zinc/20/76/15/426207615.db2.gz	FIROTDZIDYNWBN-AWEZNQCLSA-N	0	3	322.478	2.852	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccncc2)CC1	ZINC000171736746	426208135	/nfs/dbraw/zinc/20/81/35/426208135.db2.gz	CYPSOEODWIHEQM-KRWDZBQOSA-N	0	3	314.433	2.579	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2cccn2C)CC1	ZINC000171736860	426208308	/nfs/dbraw/zinc/20/83/08/426208308.db2.gz	ZKYYEDFWULAKBA-QGZVFWFLSA-N	0	3	316.449	2.522	20	30		DFEDHN
COCCN1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C	ZINC000135196415	426208932	/nfs/dbraw/zinc/20/89/32/426208932.db2.gz	RHTZMMUDRHDWQP-INIZCTEOSA-N	0	3	315.461	2.640	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cncc(C)c1)C(C)C	ZINC000080250152	426213278	/nfs/dbraw/zinc/21/32/78/426213278.db2.gz	AQATUFAUYUQROX-QGZVFWFLSA-N	0	3	301.434	2.818	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1	ZINC000120706611	426313609	/nfs/dbraw/zinc/31/36/09/426313609.db2.gz	ZYWJGZWWLUGUSH-AEFFLSMTSA-N	0	3	318.461	2.528	20	30		DFEDHN
CC[C@@H](CSC)N(C)CC(=O)N(C)C1(C#N)CCCCC1	ZINC000091098949	426340251	/nfs/dbraw/zinc/34/02/51/426340251.db2.gz	CYZJYFYPUFULET-AWEZNQCLSA-N	0	3	311.495	2.745	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCCc1cccc2cccnc21	ZINC000121157215	426322258	/nfs/dbraw/zinc/32/22/58/426322258.db2.gz	PSNANHIOJDTHSS-UHFFFAOYSA-N	0	3	311.429	2.792	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000090451376	426327378	/nfs/dbraw/zinc/32/73/78/426327378.db2.gz	GZHCESIVRVBNDY-CYBMUJFWSA-N	0	3	309.406	2.956	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000090451375	426328134	/nfs/dbraw/zinc/32/81/34/426328134.db2.gz	GZHCESIVRVBNDY-ZDUSSCGKSA-N	0	3	309.406	2.956	20	30		DFEDHN
N#Cc1cccc(OCCCN2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000152280389	426335486	/nfs/dbraw/zinc/33/54/86/426335486.db2.gz	OEUFBQDFROHYLD-LJQANCHMSA-N	0	3	323.396	2.875	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCCC3)C2)s1	ZINC000152510306	426344855	/nfs/dbraw/zinc/34/48/55/426344855.db2.gz	PNVDCQVMGDEBFX-AWEZNQCLSA-N	0	3	317.458	2.891	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1OCCCC#N	ZINC000153000612	426365515	/nfs/dbraw/zinc/36/55/15/426365515.db2.gz	WGJAYXHNCWLFQT-OAGGEKHMSA-N	0	3	316.401	2.787	20	30		DFEDHN
CCC(CC)[C@@H](CNCc1ccc(C#N)s1)N1CCOCC1	ZINC000176945915	426427323	/nfs/dbraw/zinc/42/73/23/426427323.db2.gz	JSIXFVKJTMOFQH-QGZVFWFLSA-N	0	3	321.490	2.846	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCOC1	ZINC000154597680	426447893	/nfs/dbraw/zinc/44/78/93/426447893.db2.gz	LQSNVODLGXQIEX-AWEZNQCLSA-N	0	3	313.319	2.905	20	30		DFEDHN
CN(C)CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1	ZINC000341153570	269048732	/nfs/dbraw/zinc/04/87/32/269048732.db2.gz	JSJFZJSCKQUTCJ-UHFFFAOYSA-N	0	3	311.360	2.906	20	30		DFEDHN
CC(C)(C#N)CCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1	ZINC000177403081	426475851	/nfs/dbraw/zinc/47/58/51/426475851.db2.gz	DFLRURXWUNLRHZ-MRXNPFEDSA-N	0	3	307.825	2.960	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000098093099	426478034	/nfs/dbraw/zinc/47/80/34/426478034.db2.gz	WBGBETQWRSUNAY-MJGOQNOKSA-N	0	3	313.445	2.953	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](Cc2ccccc2)C1	ZINC000124303284	426478988	/nfs/dbraw/zinc/47/89/88/426478988.db2.gz	DTQQXDUBGQCKLX-FUHWJXTLSA-N	0	3	313.445	2.559	20	30		DFEDHN
CN(C)CCN(C)C(=O)c1ccccc1-c1ccccc1C#N	ZINC000177686924	426506314	/nfs/dbraw/zinc/50/63/14/426506314.db2.gz	UQQJZEQSROHXNS-UHFFFAOYSA-N	0	3	307.397	2.859	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1	ZINC000186363858	426513608	/nfs/dbraw/zinc/51/36/08/426513608.db2.gz	KWUQEFIYMMIZGJ-IRXDYDNUSA-N	0	3	315.417	2.680	20	30		DFEDHN
C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000195666966	426542012	/nfs/dbraw/zinc/54/20/12/426542012.db2.gz	IUASXBRETLKARS-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCc2ccco2)CC1	ZINC000264399549	426547042	/nfs/dbraw/zinc/54/70/42/426547042.db2.gz	PWRMMYOOJGQIPA-HNNXBMFYSA-N	0	3	319.449	2.940	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)CCc2ccco2)CC1	ZINC000264399550	426547550	/nfs/dbraw/zinc/54/75/50/426547550.db2.gz	PWRMMYOOJGQIPA-OAHLLOKOSA-N	0	3	319.449	2.940	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2c(F)cccc2F)CC1	ZINC000264393826	426547589	/nfs/dbraw/zinc/54/75/89/426547589.db2.gz	KUHQCKZLGVNHLR-GFCCVEGCSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccccc2C)CC1	ZINC000264431286	426550935	/nfs/dbraw/zinc/55/09/35/426550935.db2.gz	ZRFXOAYLXNWQTF-UHFFFAOYSA-N	0	3	301.434	2.835	20	30		DFEDHN
CN(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CCCCC1	ZINC000194760057	426492453	/nfs/dbraw/zinc/49/24/53/426492453.db2.gz	CVBILLICFBHZRK-UHFFFAOYSA-N	0	3	313.445	2.824	20	30		DFEDHN
CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186196232	426493083	/nfs/dbraw/zinc/49/30/83/426493083.db2.gz	CKZKETUAFHUUMU-QGZVFWFLSA-N	0	3	309.417	2.858	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCOCc3ccccc3)n2c1	ZINC000177581846	426497320	/nfs/dbraw/zinc/49/73/20/426497320.db2.gz	GZVBMZJQJWVNGM-UHFFFAOYSA-N	0	3	306.369	2.512	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCOCC2	ZINC000186324576	426504322	/nfs/dbraw/zinc/50/43/22/426504322.db2.gz	DGUNWZFUMJVGPU-DLBZAZTESA-N	0	3	318.392	2.761	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)c1nc(Cl)c(C#N)s1	ZINC000288087396	426504518	/nfs/dbraw/zinc/50/45/18/426504518.db2.gz	ZRSZGJBQRCPTBB-UHFFFAOYSA-N	0	3	310.810	2.829	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccccc2OC(C)C)CC1	ZINC000264509469	426565811	/nfs/dbraw/zinc/56/58/11/426565811.db2.gz	SROJVAYZYGKNCV-UHFFFAOYSA-N	0	3	302.418	2.854	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOc2ccccc2)CC1	ZINC000264519026	426567092	/nfs/dbraw/zinc/56/70/92/426567092.db2.gz	VYNKAICHNSGLQF-UHFFFAOYSA-N	0	3	302.418	2.612	20	30		DFEDHN
C=CC[C@@H](C)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000273030506	426577740	/nfs/dbraw/zinc/57/77/40/426577740.db2.gz	SAHLFYGVEQVQNR-MFKMUULPSA-N	0	3	300.324	2.656	20	30		DFEDHN
C=CC[C@H](C)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000273030504	426578088	/nfs/dbraw/zinc/57/80/88/426578088.db2.gz	SAHLFYGVEQVQNR-GXFFZTMASA-N	0	3	300.324	2.656	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccc(F)cc1C#N	ZINC000289113879	426586188	/nfs/dbraw/zinc/58/61/88/426586188.db2.gz	QUQWUTFHDUPQJI-WFASDCNBSA-N	0	3	316.380	2.788	20	30		DFEDHN
C[C@H](Cc1ccccc1)CN1CCN(c2ccc(C#N)cn2)CC1	ZINC000186878050	426602437	/nfs/dbraw/zinc/60/24/37/426602437.db2.gz	MIENOEJSHXPWCB-QGZVFWFLSA-N	0	3	320.440	2.954	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3c(s2)CCOC3)CC1	ZINC000264473100	426559498	/nfs/dbraw/zinc/55/94/98/426559498.db2.gz	JIYUSOIHYHNXDL-UHFFFAOYSA-N	0	3	320.458	2.591	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(F)cc1C#N	ZINC000272566733	426561570	/nfs/dbraw/zinc/56/15/70/426561570.db2.gz	KPBCUCVUOHYVHF-GFCCVEGCSA-N	0	3	318.396	2.891	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000264484390	426562403	/nfs/dbraw/zinc/56/24/03/426562403.db2.gz	MELZOAYGFYTMQU-UHFFFAOYSA-N	0	3	300.362	2.919	20	30		DFEDHN
CCN(CCNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000227874352	426631536	/nfs/dbraw/zinc/63/15/36/426631536.db2.gz	SNEMLOPSVNHSCQ-UHFFFAOYSA-N	0	3	303.406	2.905	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCN(C3CCCC3)CC2)c1C#N	ZINC000273334695	426646628	/nfs/dbraw/zinc/64/66/28/426646628.db2.gz	MPWCRMPZNCBGJA-UHFFFAOYSA-N	0	3	304.825	2.980	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)NCc1ccccc1CN(C)C	ZINC000178555966	426652287	/nfs/dbraw/zinc/65/22/87/426652287.db2.gz	NVDUXJLTDRODJF-UHFFFAOYSA-N	0	3	307.397	2.858	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N[C@H](C)CN1CCCCC1	ZINC000178577320	426658014	/nfs/dbraw/zinc/65/80/14/426658014.db2.gz	CYBJTURHUIREEC-CYBMUJFWSA-N	0	3	300.406	2.863	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000187550239	426672055	/nfs/dbraw/zinc/67/20/55/426672055.db2.gz	PRUAZIGOYGCIPP-KRWDZBQOSA-N	0	3	301.434	2.724	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H](C)CCc2cccc(F)c2)C1=O	ZINC000281347164	426715132	/nfs/dbraw/zinc/71/51/32/426715132.db2.gz	TWZMVNBXBODJMM-PBHICJAKSA-N	0	3	304.409	2.866	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000266726026	426769431	/nfs/dbraw/zinc/76/94/31/426769431.db2.gz	UPUJXRUVRIFTLG-WBHUJUFNSA-N	0	3	315.417	2.678	20	30		DFEDHN
CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290492939	426777294	/nfs/dbraw/zinc/77/72/94/426777294.db2.gz	IDRLHBBBRFSBDY-OUAUKWLOSA-N	0	3	309.797	2.552	20	30		DFEDHN
COc1cc(CNCCN2CCc3ccccc3C2)ccc1C#N	ZINC000281850701	426779097	/nfs/dbraw/zinc/77/90/97/426779097.db2.gz	ZFEWKJIWYFCMBL-UHFFFAOYSA-N	0	3	321.424	2.715	20	30		DFEDHN
C=CCSCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000245628649	426757920	/nfs/dbraw/zinc/75/79/20/426757920.db2.gz	HFPIJBYRXZALHQ-JKSUJKDBSA-N	0	3	319.474	2.650	20	30		DFEDHN
CN(C)C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(F)cc1	ZINC000290431032	426761547	/nfs/dbraw/zinc/76/15/47/426761547.db2.gz	KDIPXYIOPYIFHW-AWEZNQCLSA-N	0	3	317.389	2.792	20	30		DFEDHN
COc1cc(CN[C@H](CO)Cc2cccc(C)c2)ccc1C#N	ZINC000281793685	426766166	/nfs/dbraw/zinc/76/61/66/426766166.db2.gz	UUESMMZSTRKBOH-SFHVURJKSA-N	0	3	310.397	2.569	20	30		DFEDHN
CS[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1N1CCCC1	ZINC000274653616	426811030	/nfs/dbraw/zinc/81/10/30/426811030.db2.gz	HOJIJNZAOCQPRF-KGLIPLIRSA-N	0	3	322.865	2.623	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](COCCOC)C2)c1	ZINC000180009214	426831229	/nfs/dbraw/zinc/83/12/29/426831229.db2.gz	DCZZMOPQIRJUJQ-QGZVFWFLSA-N	0	3	305.418	2.736	20	30		DFEDHN
C=CCCCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1	ZINC000267188794	426840783	/nfs/dbraw/zinc/84/07/83/426840783.db2.gz	OVKLGFKFKBQMOG-UHFFFAOYSA-N	0	3	320.433	2.608	20	30		DFEDHN
COc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1C#N	ZINC000282178781	426845736	/nfs/dbraw/zinc/84/57/36/426845736.db2.gz	FMOMVZJDQLVPAL-KRWDZBQOSA-N	0	3	300.402	2.958	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)CC(=O)N(CC)C[C@H](C)C#N	ZINC000246621463	426851340	/nfs/dbraw/zinc/85/13/40/426851340.db2.gz	HGTTUFZHQQXOQN-SJLPKXTDSA-N	0	3	315.461	2.948	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21	ZINC000246724322	426858536	/nfs/dbraw/zinc/85/85/36/426858536.db2.gz	XUYDGEIGAMCQDU-RDJZCZTQSA-N	0	3	314.429	2.808	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2ccccc2C#N)CC(C)(C)O1	ZINC000189649009	426915423	/nfs/dbraw/zinc/91/54/23/426915423.db2.gz	ZLODLUYGFNBCIR-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000282562718	426917979	/nfs/dbraw/zinc/91/79/79/426917979.db2.gz	JVIGZEHPVHSYNH-INIZCTEOSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCOc1ccc(CN(CCO)CCCOC)cc1Cl	ZINC000275817710	426923864	/nfs/dbraw/zinc/92/38/64/426923864.db2.gz	DYZAAYSHTRXMTI-UHFFFAOYSA-N	0	3	313.825	2.736	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282256859	426865262	/nfs/dbraw/zinc/86/52/62/426865262.db2.gz	CKUJFIYCPHNYNP-QZTJIDSGSA-N	0	3	312.413	2.506	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1Cl	ZINC000282312229	426878752	/nfs/dbraw/zinc/87/87/52/426878752.db2.gz	KNQGVOPAVCFHMO-RISCZKNCSA-N	0	3	308.809	2.662	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)cc1	ZINC000267898675	426889610	/nfs/dbraw/zinc/88/96/10/426889610.db2.gz	JDAMMTCANXBJLX-DVOMOZLQSA-N	0	3	312.417	2.544	20	30		DFEDHN
COc1ccc(CNCC[C@](C)(O)c2ccccc2)cc1C#N	ZINC000189839051	426961344	/nfs/dbraw/zinc/96/13/44/426961344.db2.gz	WGUHTOFSZIPHFR-IBGZPJMESA-N	0	3	310.397	2.954	20	30		DFEDHN
C[C@@H](N[C@H]1CCC(=O)NC12CCC2)c1ccc(C#N)c(F)c1	ZINC000283145950	426963980	/nfs/dbraw/zinc/96/39/80/426963980.db2.gz	HQDRJZCFOUGNKT-ABAIWWIYSA-N	0	3	301.365	2.549	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc2c(cc1SC)OCCO2	ZINC000320225313	426966452	/nfs/dbraw/zinc/96/64/52/426966452.db2.gz	AOHYIJLAYLFIHY-ZDUSSCGKSA-N	0	3	309.431	2.596	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCN(c2cccnn2)CC1	ZINC000189871182	426969359	/nfs/dbraw/zinc/96/93/59/426969359.db2.gz	UVFBFAWAJDKQJF-HNNXBMFYSA-N	0	3	307.401	2.622	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000189882819	426971415	/nfs/dbraw/zinc/97/14/15/426971415.db2.gz	IQTIEADZGILTCY-INIZCTEOSA-N	0	3	324.428	2.724	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(N2CCC2=O)c1	ZINC000328617099	426981381	/nfs/dbraw/zinc/98/13/81/426981381.db2.gz	TVOLEUUGDRIWKD-OKILXGFUSA-N	0	3	315.417	2.753	20	30		DFEDHN
CCn1nc(C)c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C	ZINC000329194594	427060322	/nfs/dbraw/zinc/06/03/22/427060322.db2.gz	UUFJNOBOLOCRML-CQSZACIVSA-N	0	3	304.438	2.841	20	30		DFEDHN
C[C@](O)(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1	ZINC000328770779	426995327	/nfs/dbraw/zinc/99/53/27/426995327.db2.gz	AGMCLGZFQJBUCH-AEFFLSMTSA-N	0	3	302.418	2.769	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000181939790	426996595	/nfs/dbraw/zinc/99/65/95/426996595.db2.gz	IIBZPSQPRSOJRB-CZUORRHYSA-N	0	3	309.417	2.939	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(Cl)cn1	ZINC000268375588	427000117	/nfs/dbraw/zinc/00/01/17/427000117.db2.gz	ZSYRGMFCUDIVMB-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
O=C(Nc1nc2c(s1)CCCC2)N[C@@H]1CCN(C2CC2)C1	ZINC000328871536	427006618	/nfs/dbraw/zinc/00/66/18/427006618.db2.gz	YIHQHRZKLQOKRS-SNVBAGLBSA-N	0	3	306.435	2.585	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	ZINC000328897674	427009313	/nfs/dbraw/zinc/00/93/13/427009313.db2.gz	CVAOPFBFQKCCAO-KFWWJZLASA-N	0	3	311.470	2.568	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21	ZINC000328909649	427009975	/nfs/dbraw/zinc/00/99/75/427009975.db2.gz	MYNSWGAYVHYVGG-HUUCEWRRSA-N	0	3	303.406	2.996	20	30		DFEDHN
O=C(NCc1noc(C2CC2)n1)[C@@H]1CCCN1C1CCCC1	ZINC000328987760	427021994	/nfs/dbraw/zinc/02/19/94/427021994.db2.gz	CDGBBMJCDPHWAU-ZDUSSCGKSA-N	0	3	304.394	2.811	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N[C@@H](CN(C)C)c1ccccc1	ZINC000337898609	427026569	/nfs/dbraw/zinc/02/65/69/427026569.db2.gz	NRSCORSCSJLRAR-SFHVURJKSA-N	0	3	307.397	2.899	20	30		DFEDHN
C=CCC[C@H](O)CN(C)Cc1cc(Br)cn1C	ZINC000268488568	427032337	/nfs/dbraw/zinc/03/23/37/427032337.db2.gz	QSUDEIWFHITNDB-ZDUSSCGKSA-N	0	3	301.228	2.547	20	30		DFEDHN
Cc1nc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)ccc1C#N	ZINC000291970475	427042849	/nfs/dbraw/zinc/04/28/49/427042849.db2.gz	OVNUBLUIGJKZON-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
CN(C(=O)c1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268532979	427045395	/nfs/dbraw/zinc/04/53/95/427045395.db2.gz	JDLDPOYGKLNFQT-IBGZPJMESA-N	0	3	319.408	2.905	20	30		DFEDHN
CCn1nc(C)c(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1C	ZINC000329146484	427053515	/nfs/dbraw/zinc/05/35/15/427053515.db2.gz	OLRFSTONTUNEPB-OAHLLOKOSA-N	0	3	319.453	2.626	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000329223544	427066291	/nfs/dbraw/zinc/06/62/91/427066291.db2.gz	YFWDECRZAARLSI-ZDUSSCGKSA-N	0	3	317.389	2.846	20	30		DFEDHN
CN1CCN(C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc21	ZINC000268623673	427071596	/nfs/dbraw/zinc/07/15/96/427071596.db2.gz	OFZFBPVWUDSVBF-IBGZPJMESA-N	0	3	307.397	2.544	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000268643585	427077653	/nfs/dbraw/zinc/07/76/53/427077653.db2.gz	NMXLUYOJDXUNEO-HZPDHXFCSA-N	0	3	303.402	2.922	20	30		DFEDHN
CCN(Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(C#N)cc1	ZINC000268663354	427084185	/nfs/dbraw/zinc/08/41/85/427084185.db2.gz	YYYOROFRZCSTTK-KRWDZBQOSA-N	0	3	324.380	2.842	20	30		DFEDHN
C[C@@H]1CC[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1	ZINC000276505813	427086241	/nfs/dbraw/zinc/08/62/41/427086241.db2.gz	TYPKCZFENBNIBT-RDTXWAMCSA-N	0	3	300.402	2.969	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)cs1	ZINC000182518150	427092958	/nfs/dbraw/zinc/09/29/58/427092958.db2.gz	DNWHHICAWLDQPE-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
CC(=O)NCc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)s1	ZINC000329349802	427095460	/nfs/dbraw/zinc/09/54/60/427095460.db2.gz	SUAZOARRERWRPY-NSHDSACASA-N	0	3	321.446	2.605	20	30		DFEDHN
Cc1cnc(CN(CCN(C)C)Cc2ccc(C#N)cc2)s1	ZINC000296161582	427097317	/nfs/dbraw/zinc/09/73/17/427097317.db2.gz	WMUIOZQSEHUSIK-UHFFFAOYSA-N	0	3	314.458	2.887	20	30		DFEDHN
C#CCN(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000276568604	427102121	/nfs/dbraw/zinc/10/21/21/427102121.db2.gz	BNONFCWPAFLYGQ-MRXNPFEDSA-N	0	3	324.346	2.533	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3Cc4ccccc43)C2)nc1	ZINC000292142504	427106676	/nfs/dbraw/zinc/10/66/76/427106676.db2.gz	JOZAQXYQTFPTEN-DLBZAZTESA-N	0	3	305.381	2.746	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN(C[C@H]3Cc4ccccc43)C2)nc1	ZINC000292142506	427107140	/nfs/dbraw/zinc/10/71/40/427107140.db2.gz	JOZAQXYQTFPTEN-IAGOWNOFSA-N	0	3	305.381	2.746	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCC[C@H](C)C1	ZINC000249576661	427129893	/nfs/dbraw/zinc/12/98/93/427129893.db2.gz	PQQZXPFAPMWCSD-QWHCGFSZSA-N	0	3	303.381	2.548	20	30		DFEDHN
O=C(Nc1cnc2c(c1)CCCC2)N[C@@H]1CCc2[nH]cnc2C1	ZINC000329498546	427127605	/nfs/dbraw/zinc/12/76/05/427127605.db2.gz	GWELJDLAEXXNKF-GFCCVEGCSA-N	0	3	311.389	2.567	20	30		DFEDHN
O=C(Nc1cnc2c(c1)CCCC2)N[C@@H]1CCc2nc[nH]c2C1	ZINC000329498546	427127612	/nfs/dbraw/zinc/12/76/12/427127612.db2.gz	GWELJDLAEXXNKF-GFCCVEGCSA-N	0	3	311.389	2.567	20	30		DFEDHN
C=CCCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000190539029	427132598	/nfs/dbraw/zinc/13/25/98/427132598.db2.gz	JKLHVUROPKJCDD-CQSZACIVSA-N	0	3	307.463	2.698	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1csc(NC2CC2)n1	ZINC000329521903	427135487	/nfs/dbraw/zinc/13/54/87/427135487.db2.gz	PDBFUXMAHBXCHF-NEPJUHHUSA-N	0	3	322.478	3.142	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1	ZINC000329536601	427138730	/nfs/dbraw/zinc/13/87/30/427138730.db2.gz	BDNRCTJWFFBXHX-TZMCWYRMSA-N	0	3	310.401	2.800	20	30		DFEDHN
N#CCOc1ccc(CN(CCCO)Cc2ccccc2)cc1	ZINC000268968583	427140816	/nfs/dbraw/zinc/14/08/16/427140816.db2.gz	LASVJUSENKPKNY-UHFFFAOYSA-N	0	3	310.397	2.974	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1C1CCCCC1)C1CC1	ZINC000249726743	427140836	/nfs/dbraw/zinc/14/08/36/427140836.db2.gz	QLGKMCHLTZACSV-WMZOPIPTSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1	ZINC000292274757	427155628	/nfs/dbraw/zinc/15/56/28/427155628.db2.gz	BHNACJRRUFQGCL-KDOFPFPSSA-N	0	3	308.381	2.875	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)cn1	ZINC000107588624	270999035	/nfs/dbraw/zinc/99/90/35/270999035.db2.gz	RGYHRHOLRBDANZ-UHFFFAOYSA-N	0	3	322.412	2.677	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccn(C(CC)CC)n2)CC1	ZINC000269303737	427166303	/nfs/dbraw/zinc/16/63/03/427166303.db2.gz	ZEYKIIQQZNEWKR-UHFFFAOYSA-N	0	3	304.438	2.624	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@H](C)[C@H](OC)C1	ZINC000251947017	427166239	/nfs/dbraw/zinc/16/62/39/427166239.db2.gz	VBAUAWYNYPRICW-KVSKMBFKSA-N	0	3	319.445	2.512	20	30		DFEDHN
C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(C#N)c(F)c1	ZINC000284286110	427175050	/nfs/dbraw/zinc/17/50/50/427175050.db2.gz	KBNJSNSEDCULHF-SGIREYDYSA-N	0	3	308.397	2.506	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@H](CO)C2)ccc1OC	ZINC000269382173	427184712	/nfs/dbraw/zinc/18/47/12/427184712.db2.gz	YFRBETJUFYRVNV-MRXNPFEDSA-N	0	3	305.418	2.854	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21	ZINC000253385982	427200573	/nfs/dbraw/zinc/20/05/73/427200573.db2.gz	VDJYWDFMMNYOJR-DOTOQJQBSA-N	0	3	314.429	2.979	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1	ZINC000183128918	427203374	/nfs/dbraw/zinc/20/33/74/427203374.db2.gz	LDVZVSBPQOQMLE-OFQRWUPVSA-N	0	3	322.474	2.808	20	30		DFEDHN
CN1CCC[C@]2(CCN(c3nc(C(F)(F)F)ccc3C#N)C2)C1	ZINC000292909282	427204482	/nfs/dbraw/zinc/20/44/82/427204482.db2.gz	XHGRQKSTLOHLRG-HNNXBMFYSA-N	0	3	324.350	2.894	20	30		DFEDHN
C[C@H](C(=O)NCC#Cc1cccc(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000338239301	427207656	/nfs/dbraw/zinc/20/76/56/427207656.db2.gz	FGGXHTKYXGFNHF-QLFBSQMISA-N	0	3	302.393	2.555	20	30		DFEDHN
Cc1nc(N2CC[C@]3(C2)CCCN(C)C3)c(Cl)cc1C#N	ZINC000292934436	427208653	/nfs/dbraw/zinc/20/86/53/427208653.db2.gz	ZRWGDTKTSDMLJO-MRXNPFEDSA-N	0	3	304.825	2.837	20	30		DFEDHN
O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCN1C1CCCC1	ZINC000338243447	427209517	/nfs/dbraw/zinc/20/95/17/427209517.db2.gz	AOGKYFQSUGDHOD-SFHVURJKSA-N	0	3	314.404	2.700	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)c1cc(C)nc(OC)c1	ZINC000330382438	427225712	/nfs/dbraw/zinc/22/57/12/427225712.db2.gz	OMWOGVIBOZLYQZ-OAHLLOKOSA-N	0	3	305.422	2.968	20	30		DFEDHN
N#Cc1cccc(C2(NCc3cc4c(cc3O)OCO4)CC2)c1	ZINC000269583339	427226595	/nfs/dbraw/zinc/22/65/95/427226595.db2.gz	ACHTUOVITXOVSZ-UHFFFAOYSA-N	0	3	308.337	2.771	20	30		DFEDHN
CCc1ccc([C@H](O)CNCc2ccc(C#N)c(OC)c2)cc1	ZINC000285445789	427231880	/nfs/dbraw/zinc/23/18/80/427231880.db2.gz	IPRMTBFHFCVBDT-GOSISDBHSA-N	0	3	310.397	2.952	20	30		DFEDHN
Cc1nocc1CNC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000293169074	427233712	/nfs/dbraw/zinc/23/37/12/427233712.db2.gz	GKLSIHHNBSWKRN-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-]	ZINC000277540725	427235717	/nfs/dbraw/zinc/23/57/17/427235717.db2.gz	WVCCARFOFHVNLX-HNNXBMFYSA-N	0	3	300.362	2.895	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000269647074	427237028	/nfs/dbraw/zinc/23/70/28/427237028.db2.gz	HXWVXAQOJUBVSC-AWEZNQCLSA-N	0	3	302.422	2.601	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2cnc(C)s2)CC1	ZINC000255071722	427237459	/nfs/dbraw/zinc/23/74/59/427237459.db2.gz	DDRYWRQTNKXFFV-PLNGDYQASA-N	0	3	305.447	2.621	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(OC2CCCC2)nc1)N(C)C	ZINC000330446473	427240751	/nfs/dbraw/zinc/24/07/51/427240751.db2.gz	HNBWEADVYINOIN-GFCCVEGCSA-N	0	3	306.410	2.679	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000338324531	427258717	/nfs/dbraw/zinc/25/87/17/427258717.db2.gz	BWMLRWGSOGTGRP-UHFFFAOYSA-N	0	3	308.385	2.942	20	30		DFEDHN
CCNC(=O)N1CC[C@H](N[C@@H](c2ccc(F)cn2)C(C)C)C1	ZINC000330742063	427299832	/nfs/dbraw/zinc/29/98/32/427299832.db2.gz	SMXCGTWADPNKJT-DZGCQCFKSA-N	0	3	308.401	2.516	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)cc1C#N	ZINC000191306792	427313422	/nfs/dbraw/zinc/31/34/22/427313422.db2.gz	WMXNFWDCDQGURK-CYBMUJFWSA-N	0	3	316.355	2.543	20	30		DFEDHN
C[C@H]1C[C@H](NCc2cc(C#N)n(C)c2)CN1Cc1ccccc1	ZINC000191316111	427318057	/nfs/dbraw/zinc/31/80/57/427318057.db2.gz	ZAERIUIKLAXMFN-YJBOKZPZSA-N	0	3	308.429	2.649	20	30		DFEDHN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H](OC)C(C)C)C1	ZINC000330958261	427321092	/nfs/dbraw/zinc/32/10/92/427321092.db2.gz	WLVLJIFXFQRWLG-CABCVRRESA-N	0	3	322.453	2.667	20	30		DFEDHN
N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1C1CCCC1)CC2	ZINC000270167673	427321752	/nfs/dbraw/zinc/32/17/52/427321752.db2.gz	DGIYTELSYDJELC-QGZVFWFLSA-N	0	3	309.413	2.854	20	30		DFEDHN
CCc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc(=O)[nH]1	ZINC000330979469	427323638	/nfs/dbraw/zinc/32/36/38/427323638.db2.gz	PBZJRZCZKOFFOT-UHFFFAOYSA-N	0	3	305.422	2.776	20	30		DFEDHN
CCC1(CC)[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1OC	ZINC000191389824	427337518	/nfs/dbraw/zinc/33/75/18/427337518.db2.gz	ROGBEMLQXHBIJF-HOTGVXAUSA-N	0	3	315.417	2.680	20	30		DFEDHN
C#CC[C@@H](NC(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1	ZINC000270417838	427350451	/nfs/dbraw/zinc/35/04/51/427350451.db2.gz	MMWFJDCQELQSNH-QZTJIDSGSA-N	0	3	313.445	2.877	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cn(C)nc1C(C)(C)C	ZINC000330666334	427288499	/nfs/dbraw/zinc/28/84/99/427288499.db2.gz	HURFUEAMKOKPBJ-ZDUSSCGKSA-N	0	3	306.454	2.897	20	30		DFEDHN
Cn1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)cc1C#N	ZINC000191439797	427351994	/nfs/dbraw/zinc/35/19/94/427351994.db2.gz	RXQMGZQRDGMDOF-GOSISDBHSA-N	0	3	309.413	2.730	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(-n2ccnc2)c1	ZINC000191240544	427293939	/nfs/dbraw/zinc/29/39/39/427293939.db2.gz	HTTZVKRJAYVPBI-AWEZNQCLSA-N	0	3	305.385	2.933	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)N[C@@H](C)Cc2cccc(OC)c2)C1	ZINC000330699769	427296923	/nfs/dbraw/zinc/29/69/23/427296923.db2.gz	GMNGTLZQFVLGNJ-HOCLYGCPSA-N	0	3	319.449	2.614	20	30		DFEDHN
C=CCCN1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1	ZINC000338540793	427372035	/nfs/dbraw/zinc/37/20/35/427372035.db2.gz	QRELBQJEQVGEQV-UHFFFAOYSA-N	0	3	305.378	2.692	20	30		DFEDHN
CC(C)Cn1cc(NC(=O)NC[C@H](C)N2CCC(C)CC2)cn1	ZINC000331245053	427380411	/nfs/dbraw/zinc/38/04/11/427380411.db2.gz	LPZVHDFPAZEKMQ-HNNXBMFYSA-N	0	3	321.469	2.985	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000297642241	427418771	/nfs/dbraw/zinc/41/87/71/427418771.db2.gz	ZDOLFAXEBSWJPX-HNNXBMFYSA-N	0	3	307.463	2.839	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000331455039	427415850	/nfs/dbraw/zinc/41/58/50/427415850.db2.gz	AFZXSHKSOJSFJT-BBRMVZONSA-N	0	3	307.401	2.871	20	30		DFEDHN
C=CCN(CCc1ccccc1)CC1CCS(=O)(=O)CC1	ZINC000270438114	427358988	/nfs/dbraw/zinc/35/89/88/427358988.db2.gz	JHHALXJQTVHSDR-UHFFFAOYSA-N	0	3	307.459	2.542	20	30		DFEDHN
CNC(=O)NC(=O)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C	ZINC000331174050	427361043	/nfs/dbraw/zinc/36/10/43/427361043.db2.gz	WJFQDTGBHFBLGV-OAHLLOKOSA-N	0	3	317.433	2.727	20	30		DFEDHN
Cn1cc(CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1C#N	ZINC000191494939	427361731	/nfs/dbraw/zinc/36/17/31/427361731.db2.gz	RHUHEPKYMRWCAC-LJQANCHMSA-N	0	3	309.413	2.670	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC(C)(C)O1	ZINC000331195730	427366902	/nfs/dbraw/zinc/36/69/02/427366902.db2.gz	NKVZKZFEPWXAFC-GOEBONIOSA-N	0	3	300.402	2.785	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)c(F)c1	ZINC000331193539	427368075	/nfs/dbraw/zinc/36/80/75/427368075.db2.gz	YABACKVIRZAEDB-YOEHRIQHSA-N	0	3	304.365	2.909	20	30		DFEDHN
COc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1C#N	ZINC000293580084	427369530	/nfs/dbraw/zinc/36/95/30/427369530.db2.gz	HRPGNEQKCZUBCR-GOSISDBHSA-N	0	3	312.413	2.958	20	30		DFEDHN
C#Cc1ccc(CNC(=O)N[C@H](CN(C)C)c2ccccc2)cc1	ZINC000297841148	427467951	/nfs/dbraw/zinc/46/79/51/427467951.db2.gz	OQHNBMNZTGZULZ-LJQANCHMSA-N	0	3	321.424	2.770	20	30		DFEDHN
C=CCCC(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1	ZINC000271264661	427474217	/nfs/dbraw/zinc/47/42/17/427474217.db2.gz	HKNCHORACSSTBC-KRWDZBQOSA-N	0	3	302.418	2.915	20	30		DFEDHN
CCOC[C@@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C	ZINC000286283172	427477932	/nfs/dbraw/zinc/47/79/32/427477932.db2.gz	URIKMLHQDRGDSD-SWLSCSKDSA-N	0	3	321.421	2.746	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccnc(N)n2)C1	ZINC000331508352	427427173	/nfs/dbraw/zinc/42/71/73/427427173.db2.gz	IDEDSLASZLYFEG-CJNGLKHVSA-N	0	3	307.401	2.871	20	30		DFEDHN
C=C(CNC(=O)N1CC[C@]2(C1)CCCN(C)C2)c1ccccc1	ZINC000298000998	427499577	/nfs/dbraw/zinc/49/95/77/427499577.db2.gz	OBSXGLUGIYKVID-LJQANCHMSA-N	0	3	313.445	2.827	20	30		DFEDHN
C=CCc1cc(CN(C)C[C@H]2CCC[C@H]2O)cc(OC)c1O	ZINC000271310757	427489534	/nfs/dbraw/zinc/48/95/34/427489534.db2.gz	WXRUJLWVQMBYIJ-HZPDHXFCSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000338788820	427489725	/nfs/dbraw/zinc/48/97/25/427489725.db2.gz	NNJYVFLLXUPQSG-INIZCTEOSA-N	0	3	319.497	2.829	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CN1C1CC1	ZINC000287470375	427618541	/nfs/dbraw/zinc/61/85/41/427618541.db2.gz	MIOGMNIFWZXZIL-CMPLNLGQSA-N	0	3	303.793	2.567	20	30		DFEDHN
CCN(CC)[C@@H](CNc1nccnc1C#N)c1ccsc1	ZINC000263809898	427578909	/nfs/dbraw/zinc/57/89/09/427578909.db2.gz	MZBNQNGJHIIYAL-AWEZNQCLSA-N	0	3	301.419	2.905	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](OCCOC)C1	ZINC000338957371	427590131	/nfs/dbraw/zinc/59/01/31/427590131.db2.gz	NLKBYADCSORLGX-QGZVFWFLSA-N	0	3	305.418	2.879	20	30		DFEDHN
C[C@@]12CCN(CCC(=O)Nc3ccccc3C#N)C[C@@H]1C2(F)F	ZINC000298389198	427594573	/nfs/dbraw/zinc/59/45/73/427594573.db2.gz	VZAWJGQIKQOYTK-GOEBONIOSA-N	0	3	319.355	2.864	20	30		DFEDHN
C[C@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)c(F)c1	ZINC000271942603	427598152	/nfs/dbraw/zinc/59/81/52/427598152.db2.gz	MJWYAOCYUNXSQQ-JTQLQIEISA-N	0	3	303.303	2.842	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCCN(C(C)C)CC1	ZINC000263915785	427609875	/nfs/dbraw/zinc/60/98/75/427609875.db2.gz	PJBDJENBANZYMS-UHFFFAOYSA-N	0	3	302.418	2.808	20	30		DFEDHN
C#CCCN1CCN(CCCSCc2ccccc2)CC1	ZINC000272046711	427610797	/nfs/dbraw/zinc/61/07/97/427610797.db2.gz	SJGDWRIAQRWYHI-UHFFFAOYSA-N	0	3	302.487	2.951	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	ZINC000332746805	427626426	/nfs/dbraw/zinc/62/64/26/427626426.db2.gz	LFOPUOPKXQPPLX-MLHJIOFPSA-N	0	3	324.424	2.833	20	30		DFEDHN
N#CCCOCCNC1(c2ccc(Cl)cc2)CCOCC1	ZINC000339035079	427640430	/nfs/dbraw/zinc/64/04/30/427640430.db2.gz	QOZWFUJSWAYRRL-UHFFFAOYSA-N	0	3	308.809	2.866	20	30		DFEDHN
CS[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295066063	427678852	/nfs/dbraw/zinc/67/88/52/427678852.db2.gz	OUYNDJQNSKDMHT-MRXNPFEDSA-N	0	3	312.442	2.896	20	30		DFEDHN
Cc1ccc(CNCc2ccc(C#N)cc2)c(N2CCOCC2)c1	ZINC000344876029	272380385	/nfs/dbraw/zinc/38/03/85/272380385.db2.gz	HTVXJVAWJYWXOU-UHFFFAOYSA-N	0	3	321.424	2.993	20	30		DFEDHN
C=CCOCCN1CCN(c2cccc3cnccc32)C[C@@H]1C	ZINC000339132153	427694235	/nfs/dbraw/zinc/69/42/35/427694235.db2.gz	ZJGRLDSYCUNDQD-INIZCTEOSA-N	0	3	311.429	2.948	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000298796844	427707808	/nfs/dbraw/zinc/70/78/08/427707808.db2.gz	YRZKHVQHKVTIDC-AWEZNQCLSA-N	0	3	310.401	2.901	20	30		DFEDHN
C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000295147757	427710786	/nfs/dbraw/zinc/71/07/86/427710786.db2.gz	CUYBMVMKRNOSON-YGRLFVJLSA-N	0	3	321.808	2.696	20	30		DFEDHN
O=C(C#Cc1ccccc1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000193770060	427712122	/nfs/dbraw/zinc/71/21/22/427712122.db2.gz	VCXDDMBZEYWYMT-HXUWFJFHSA-N	0	3	318.420	2.676	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCO[C@H](CC)C1)C(C)C	ZINC000193859969	427721000	/nfs/dbraw/zinc/72/10/00/427721000.db2.gz	PMJOXKRRWGFMIX-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
N#Cc1cc(F)c(NCCCNCc2cccnc2)c(F)c1	ZINC000336854626	427760746	/nfs/dbraw/zinc/76/07/46/427760746.db2.gz	QCZAGYJFFZEFGF-UHFFFAOYSA-N	0	3	302.328	2.823	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)OCC	ZINC000339368333	427761461	/nfs/dbraw/zinc/76/14/61/427761461.db2.gz	POFNTEZOQLIKQP-FUHWJXTLSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCCOC	ZINC000299273647	427764408	/nfs/dbraw/zinc/76/44/08/427764408.db2.gz	PFFKGWHGQPWSFL-AWEZNQCLSA-N	0	3	310.463	2.620	20	30		DFEDHN
CCN1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3C#N)[C@H]2C1	ZINC000339394210	427766341	/nfs/dbraw/zinc/76/63/41/427766341.db2.gz	NSXFLVWWTMWREU-IRXDYDNUSA-N	0	3	319.836	2.507	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cccc(C#N)n1	ZINC000301267542	427785947	/nfs/dbraw/zinc/78/59/47/427785947.db2.gz	INOWVHQPMACYED-YOEHRIQHSA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)cn1	ZINC000301323769	427788752	/nfs/dbraw/zinc/78/87/52/427788752.db2.gz	WPAPTDCNGSCALC-WMLDXEAASA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1	ZINC000288001799	427727770	/nfs/dbraw/zinc/72/77/70/427727770.db2.gz	BNVRKEFYPYTJHK-BEFAXECRSA-N	0	3	319.408	2.951	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1nccs1)C(C)C	ZINC000194476683	427744244	/nfs/dbraw/zinc/74/42/44/427744244.db2.gz	QWKARLUHRCNBHG-CQSZACIVSA-N	0	3	322.478	2.641	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000339274246	427748512	/nfs/dbraw/zinc/74/85/12/427748512.db2.gz	ZPLZHXZRTHMAGR-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)nc1	ZINC000301543912	427804986	/nfs/dbraw/zinc/80/49/86/427804986.db2.gz	WEOKQCRUCBNSKJ-KSSFIOAISA-N	0	3	307.401	2.671	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2cc(C#N)nc3ccccc32)CC1	ZINC000301554542	427805565	/nfs/dbraw/zinc/80/55/65/427805565.db2.gz	WIOANSRWCQJAJZ-HNNXBMFYSA-N	0	3	323.444	2.544	20	30		DFEDHN
CCc1nnc(N[C@H]2CCN(C3CCCC3)C2)c(C#N)c1CC	ZINC000301610536	427808978	/nfs/dbraw/zinc/80/89/78/427808978.db2.gz	CPRZVCUIXYCFSJ-ZDUSSCGKSA-N	0	3	313.449	2.902	20	30		DFEDHN
N#Cc1ccc(N2CC[C@@H](N3CC[C@H](CC4CC4)C3)C2=O)cc1	ZINC000339673553	427809686	/nfs/dbraw/zinc/80/96/86/427809686.db2.gz	POIBIRKVUDOEAY-SJLPKXTDSA-N	0	3	309.413	2.786	20	30		DFEDHN
CN(C)CCN(Cc1ccc(F)cc1F)c1ncccc1C#N	ZINC000301620198	427809738	/nfs/dbraw/zinc/80/97/38/427809738.db2.gz	DSWNENAOZNIXHN-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337185833	427811497	/nfs/dbraw/zinc/81/14/97/427811497.db2.gz	PCEDGHHYQLILDN-YJBOKZPZSA-N	0	3	316.445	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@@H](OCCCC)C2(C)C)C1=O	ZINC000337185306	427811667	/nfs/dbraw/zinc/81/16/67/427811667.db2.gz	OUJVNPVJVXFZQF-HRCADAONSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337185832	427811686	/nfs/dbraw/zinc/81/16/86/427811686.db2.gz	PCEDGHHYQLILDN-QAPCUYQASA-N	0	3	316.445	2.593	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@@H](C)Cc2ccc(Cl)cc2)C1=O	ZINC000337189192	427812663	/nfs/dbraw/zinc/81/26/63/427812663.db2.gz	QZGUWARZPLAADO-BBRMVZONSA-N	0	3	306.837	2.990	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](CO)(C(C)C)C1	ZINC000339700697	427814423	/nfs/dbraw/zinc/81/44/23/427814423.db2.gz	DUTYJGKTWYTTJK-SJLPKXTDSA-N	0	3	310.482	2.530	20	30		DFEDHN
COc1cc(CN[C@@H]2CCCO[C@@H]2c2ccncc2)ccc1C#N	ZINC000337262032	427826566	/nfs/dbraw/zinc/82/65/66/427826566.db2.gz	QTUQAZGAVYLQBN-IEBWSBKVSA-N	0	3	323.396	2.972	20	30		DFEDHN
N#CC1(CCCN2CCOC[C@@H]2CC2CCC2)CCOCC1	ZINC000339773312	427827009	/nfs/dbraw/zinc/82/70/09/427827009.db2.gz	VYPYDNGMVCGSFD-KRWDZBQOSA-N	0	3	306.450	2.978	20	30		DFEDHN
COc1cc(CN[C@H]2CCCO[C@H]2c2ccncc2)ccc1C#N	ZINC000337262030	427827033	/nfs/dbraw/zinc/82/70/33/427827033.db2.gz	QTUQAZGAVYLQBN-HKUYNNGSSA-N	0	3	323.396	2.972	20	30		DFEDHN
CCC[C@H]1CN(c2cc(C)nc(C)c2C#N)CCN1CCOC	ZINC000301911927	427839821	/nfs/dbraw/zinc/83/98/21/427839821.db2.gz	GTQMYFUNJWMXQL-INIZCTEOSA-N	0	3	316.449	2.507	20	30		DFEDHN
N#Cc1cccc(CCN[C@@H](C(=O)NC2CC2)c2ccccc2)c1	ZINC000355669790	427842193	/nfs/dbraw/zinc/84/21/93/427842193.db2.gz	HSRBPVCZABDDFY-LJQANCHMSA-N	0	3	319.408	2.710	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccccc1	ZINC000349867871	427884733	/nfs/dbraw/zinc/88/47/33/427884733.db2.gz	KYQSAVOPQGIZMG-MRXNPFEDSA-N	0	3	316.449	2.918	20	30		DFEDHN
Cc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1	ZINC000303054573	427896466	/nfs/dbraw/zinc/89/64/66/427896466.db2.gz	ZBECYAJUCBTSEV-MAUKXSAKSA-N	0	3	310.397	2.957	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@H](Nc3ccccc3)C2)cc1	ZINC000305089339	427955321	/nfs/dbraw/zinc/95/53/21/427955321.db2.gz	WCJFMNQYDNLWIJ-OALUTQOASA-N	0	3	307.397	2.778	20	30		DFEDHN
Cn1cc(CNCc2ccc(O)cc2)c(-c2ccc(C#N)cc2)n1	ZINC000350617475	427958447	/nfs/dbraw/zinc/95/84/47/427958447.db2.gz	FIXSKKUNUVUMPB-UHFFFAOYSA-N	0	3	318.380	2.954	20	30		DFEDHN
C=CCCN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000350626477	427958812	/nfs/dbraw/zinc/95/88/12/427958812.db2.gz	QIUUUAROPRYYHZ-QGZVFWFLSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000350728972	427966607	/nfs/dbraw/zinc/96/66/07/427966607.db2.gz	HFRPEZFJCVXZMW-KFWWJZLASA-N	0	3	305.470	2.897	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)c1cc(C(F)(F)F)cnc1C#N	ZINC000413179360	427982070	/nfs/dbraw/zinc/98/20/70/427982070.db2.gz	ILFZMUFTUDNYCW-GFCCVEGCSA-N	0	3	312.339	2.893	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)c1cc(C)c([N+](=O)[O-])cc1C#N	ZINC000413184041	427982128	/nfs/dbraw/zinc/98/21/28/427982128.db2.gz	NARXLBGWVKWRNC-CQSZACIVSA-N	0	3	302.378	2.695	20	30		DFEDHN
CN1CC[C@H](CNC(=O)NCCCCC#N)[C@@H]1c1cccs1	ZINC000369538682	427990758	/nfs/dbraw/zinc/99/07/58/427990758.db2.gz	DOXGRRKTYUMTFI-UKRRQHHQSA-N	0	3	320.462	2.734	20	30		DFEDHN
C=CCC1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CCC1	ZINC000359597313	427928681	/nfs/dbraw/zinc/92/86/81/427928681.db2.gz	RQLZDHAZXBORCX-UHFFFAOYSA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@H](NC(=O)NCC1(CC#N)CC1)[C@@H](c1ccccc1)N(C)C	ZINC000355873195	427930450	/nfs/dbraw/zinc/93/04/50/427930450.db2.gz	LMZAQGVFPBPPJI-HOCLYGCPSA-N	0	3	314.433	2.671	20	30		DFEDHN
CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCN(C2CC2)C1	ZINC000355885365	427934831	/nfs/dbraw/zinc/93/48/31/427934831.db2.gz	QNUGHSPQLNEPFN-OAHLLOKOSA-N	0	3	315.442	2.611	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(C)C	ZINC000337505040	427936721	/nfs/dbraw/zinc/93/67/21/427936721.db2.gz	OEAUSWWKWFQAPA-YLFCFFPRSA-N	0	3	308.466	2.615	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O	ZINC000359793075	428020928	/nfs/dbraw/zinc/02/09/28/428020928.db2.gz	PGKUTSZCLJCIHV-RDZIJCNDSA-N	0	3	313.184	2.570	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000369720231	428043943	/nfs/dbraw/zinc/04/39/43/428043943.db2.gz	GDCNZMLYVYDJAL-RBUKOAKNSA-N	0	3	320.392	2.947	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC2(CCC2)C[C@H]1C	ZINC000369730381	428047630	/nfs/dbraw/zinc/04/76/30/428047630.db2.gz	FEEFJOOIJFSAPU-HUUCEWRRSA-N	0	3	303.450	2.982	20	30		DFEDHN
C[C@@H](Cn1ccnc1)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356179933	428054586	/nfs/dbraw/zinc/05/45/86/428054586.db2.gz	XUTLYDSGRQTKIH-NSHDSACASA-N	0	3	308.307	2.952	20	30		DFEDHN
C=CCOc1cccc(CN2CCC3(CCOC3=O)CC2)c1	ZINC000359877338	428056790	/nfs/dbraw/zinc/05/67/90/428056790.db2.gz	PRGDXIQIHGVAQM-UHFFFAOYSA-N	0	3	301.386	2.781	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1	ZINC000341204684	428011491	/nfs/dbraw/zinc/01/14/91/428011491.db2.gz	QBVSZMLMCIVCDD-WBVHZDCISA-N	0	3	301.434	2.867	20	30		DFEDHN
COc1cc2c(cc1CNCCc1cccc(C#N)c1)OCO2	ZINC000341452014	428070783	/nfs/dbraw/zinc/07/07/83/428070783.db2.gz	GKRVWRVINONEBJ-UHFFFAOYSA-N	0	3	310.353	2.628	20	30		DFEDHN
CCc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1	ZINC000359925294	428079197	/nfs/dbraw/zinc/07/91/97/428079197.db2.gz	RCYXTLUEYISUSK-CQSZACIVSA-N	0	3	310.313	2.798	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000341515080	428087009	/nfs/dbraw/zinc/08/70/09/428087009.db2.gz	TUQXFKNGAMWLII-LBPRGKRZSA-N	0	3	303.324	2.953	20	30		DFEDHN
C=CCN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000369947149	428095189	/nfs/dbraw/zinc/09/51/89/428095189.db2.gz	VSQBEMMXAUEFMI-WBVHZDCISA-N	0	3	301.434	2.724	20	30		DFEDHN
CC(C)N1CCCC[C@H]1CSc1nc(N)c(C#N)cc1C#N	ZINC000352160372	428128012	/nfs/dbraw/zinc/12/80/12/428128012.db2.gz	KIJDYKPFHVGBOT-AWEZNQCLSA-N	0	3	315.446	2.762	20	30		DFEDHN
C#CCCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000369990932	428103343	/nfs/dbraw/zinc/10/33/43/428103343.db2.gz	KYZLNPFVPHDMQZ-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1	ZINC000356306469	428117614	/nfs/dbraw/zinc/11/76/14/428117614.db2.gz	LJHLTOPKMPBSLO-RDJZCZTQSA-N	0	3	314.429	2.950	20	30		DFEDHN
C[C@@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccc(C#N)cc1	ZINC000352092458	428124121	/nfs/dbraw/zinc/12/41/21/428124121.db2.gz	TVNGCUSRCLHMAO-GFCCVEGCSA-N	0	3	307.353	2.854	20	30		DFEDHN
C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1(F)F	ZINC000352083569	428124135	/nfs/dbraw/zinc/12/41/35/428124135.db2.gz	ITEWMYLUMUVNRC-WFASDCNBSA-N	0	3	317.339	2.744	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CCCCO2)C1	ZINC000370091354	428130944	/nfs/dbraw/zinc/13/09/44/428130944.db2.gz	BLBBFPUWHQANFW-WMZOPIPTSA-N	0	3	306.450	2.611	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC[C@@]3(CCCCO3)C2)cc1	ZINC000370093819	428132305	/nfs/dbraw/zinc/13/23/05/428132305.db2.gz	KSGYKIWKWRMNKP-SFHVURJKSA-N	0	3	300.402	2.972	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3cscn3)CC2)s1	ZINC000370108571	428137272	/nfs/dbraw/zinc/13/72/72/428137272.db2.gz	ALMRTIQLUXYRNF-UHFFFAOYSA-N	0	3	318.471	2.830	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]2C#N)N(C)C)cc1	ZINC000360066765	428140484	/nfs/dbraw/zinc/14/04/84/428140484.db2.gz	SBCYYTJQIDBZIB-IKGGRYGDSA-N	0	3	314.433	2.589	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000360066788	428141282	/nfs/dbraw/zinc/14/12/82/428141282.db2.gz	SEWCOJGMHSZHHI-HIFRSBDPSA-N	0	3	320.462	2.514	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)NC(C)(C)CN(C)C	ZINC000413832198	428145460	/nfs/dbraw/zinc/14/54/60/428145460.db2.gz	IUFPDIBDTMUHQQ-MRXNPFEDSA-N	0	3	303.450	2.813	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000370205289	428158246	/nfs/dbraw/zinc/15/82/46/428158246.db2.gz	YYJFXDMETLCLAD-UHFFFAOYSA-N	0	3	319.355	2.537	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1OC	ZINC000413941858	428170341	/nfs/dbraw/zinc/17/03/41/428170341.db2.gz	VSSJYFNWOFDXBQ-QGZVFWFLSA-N	0	3	319.405	2.514	20	30		DFEDHN
COC1([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)CCC1	ZINC000413978694	428177955	/nfs/dbraw/zinc/17/79/55/428177955.db2.gz	WOBABKPETRFNJA-GDBMZVCRSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#Cc1cc(NCCCN2CCN(c3ccccc3)CC2)ccn1	ZINC000341747145	428179186	/nfs/dbraw/zinc/17/91/86/428179186.db2.gz	XYMPZKIRTWAXNH-UHFFFAOYSA-N	0	3	321.428	2.577	20	30		DFEDHN
C=CCCC1(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CC1	ZINC000356439143	428179236	/nfs/dbraw/zinc/17/92/36/428179236.db2.gz	SMVLHEBNCSXSTN-KRWDZBQOSA-N	0	3	320.477	2.836	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1)C(C)C	ZINC000370296636	428180016	/nfs/dbraw/zinc/18/00/16/428180016.db2.gz	IAYQCYWMLUIEQP-IJEWVQPXSA-N	0	3	319.474	2.698	20	30		DFEDHN
C#CCCCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000370433447	428209658	/nfs/dbraw/zinc/20/96/58/428209658.db2.gz	KTQXPXIFERSHIZ-ZBFHGGJFSA-N	0	3	319.474	2.844	20	30		DFEDHN
C[C@H](NCC(C)(C)CC#N)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000414169720	428221175	/nfs/dbraw/zinc/22/11/75/428221175.db2.gz	RYLUVWKEGFYHNW-ZDUSSCGKSA-N	0	3	323.462	2.527	20	30		DFEDHN
C[C@@H](NCC(C)(C)CC#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000414172457	428225408	/nfs/dbraw/zinc/22/54/08/428225408.db2.gz	VZTRRQBSGGWVJA-CYBMUJFWSA-N	0	3	323.462	2.527	20	30		DFEDHN
CN(Cc1noc(C2CC2)n1)C(=O)C(C#N)CCc1ccccc1	ZINC000414036553	428189386	/nfs/dbraw/zinc/18/93/86/428189386.db2.gz	ICZBAMSPJNYPAN-OAHLLOKOSA-N	0	3	324.384	2.678	20	30		DFEDHN
C[C@@H](CCNCc1ccc(C#N)cc1C(F)(F)F)[S@](C)=O	ZINC000352822355	428265811	/nfs/dbraw/zinc/26/58/11/428265811.db2.gz	KBLIYMARBVIDRP-CWKPULSASA-N	0	3	318.364	2.824	20	30		DFEDHN
CN(C)[C@H](CNCc1nc(C#N)cs1)c1ccc(F)cc1	ZINC000352839934	428272990	/nfs/dbraw/zinc/27/29/90/428272990.db2.gz	MIVIYWHBOWDHEV-CQSZACIVSA-N	0	3	304.394	2.546	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1nc(C#N)cs1)C(C)C	ZINC000352841926	428273887	/nfs/dbraw/zinc/27/38/87/428273887.db2.gz	UJOHCQBBERGUAG-HNNXBMFYSA-N	0	3	304.463	2.803	20	30		DFEDHN
C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1	ZINC000341999998	428275297	/nfs/dbraw/zinc/27/52/97/428275297.db2.gz	XICMYQFQRAQMEV-GFCCVEGCSA-N	0	3	312.373	2.513	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F	ZINC000346721645	428288198	/nfs/dbraw/zinc/28/81/98/428288198.db2.gz	QPAQCBSJGOKYJV-UTUOFQBUSA-N	0	3	319.371	2.704	20	30		DFEDHN
CC[C@H](CC#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000346721643	428289063	/nfs/dbraw/zinc/28/90/63/428289063.db2.gz	QPAQCBSJGOKYJV-IJLUTSLNSA-N	0	3	319.371	2.704	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)c1cccc(C#N)c1	ZINC000360302547	428242643	/nfs/dbraw/zinc/24/26/43/428242643.db2.gz	IIOOJHXSTAYJII-RHSMWYFYSA-N	0	3	301.434	2.754	20	30		DFEDHN
C=CC[C@H](CO)CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000341892993	428243182	/nfs/dbraw/zinc/24/31/82/428243182.db2.gz	XMRCACPFPMFFBI-STQMWFEESA-N	0	3	320.824	2.756	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1CCN(C)C	ZINC000346629206	428245842	/nfs/dbraw/zinc/24/58/42/428245842.db2.gz	MHSNQXMMEWEVKC-WBVHZDCISA-N	0	3	302.418	2.710	20	30		DFEDHN
C=CCCC1(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CC1	ZINC000356803879	428313407	/nfs/dbraw/zinc/31/34/07/428313407.db2.gz	JBUSUVLNPJICJB-LSDHHAIUSA-N	0	3	308.491	2.771	20	30		DFEDHN
C=CCCC1(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)CC1	ZINC000356803876	428313453	/nfs/dbraw/zinc/31/34/53/428313453.db2.gz	JBUSUVLNPJICJB-CABCVRRESA-N	0	3	308.491	2.771	20	30		DFEDHN
Cc1cc([C@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)[nH]n1	ZINC000370907504	428318282	/nfs/dbraw/zinc/31/82/82/428318282.db2.gz	JITLYOBZWJHWGI-HNNXBMFYSA-N	0	3	320.400	2.617	20	30		DFEDHN
C[C@@H]1CCN(CC#CCN2CCS[C@@H](C)CC2)CCS1	ZINC000342136409	428318653	/nfs/dbraw/zinc/31/86/53/428318653.db2.gz	VAJBCNUIYILCES-IYBDPMFKSA-N	0	3	312.548	2.645	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000342168711	428333636	/nfs/dbraw/zinc/33/36/36/428333636.db2.gz	QHUICJTTZPOCMM-BBRMVZONSA-N	0	3	319.474	2.928	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccn2ccnc2c1	ZINC000346830171	428336978	/nfs/dbraw/zinc/33/69/78/428336978.db2.gz	PPRWDVHTLYPEEW-QGZVFWFLSA-N	0	3	318.380	2.723	20	30		DFEDHN
CC(C)(C)NC(=O)CCNCc1cccc(OCCCC#N)c1	ZINC000356869747	428342592	/nfs/dbraw/zinc/34/25/92/428342592.db2.gz	SFRWWDVVYDRDRH-UHFFFAOYSA-N	0	3	317.433	2.764	20	30		DFEDHN
CC(C)CN(CCc1ccccc1)CC(=O)NC1(C#N)CCC1	ZINC000346848648	428344167	/nfs/dbraw/zinc/34/41/67/428344167.db2.gz	QCGCZMKZQPJIAQ-UHFFFAOYSA-N	0	3	313.445	2.750	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN(CC(C)(C)CCC#N)CC2)no1	ZINC000371416166	428388997	/nfs/dbraw/zinc/38/89/97/428388997.db2.gz	KGKQJZJMYSQTFF-UHFFFAOYSA-N	0	3	318.421	2.507	20	30		DFEDHN
Cc1cccc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1[O-]	ZINC000378441498	428399426	/nfs/dbraw/zinc/39/94/26/428399426.db2.gz	GXUYLFYMVXNVGP-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
Cc1cccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1[O-]	ZINC000378441498	428399431	/nfs/dbraw/zinc/39/94/31/428399431.db2.gz	GXUYLFYMVXNVGP-UHFFFAOYSA-N	0	3	322.412	2.680	20	30		DFEDHN
C[C@H](NCc1cccc(-n2cncn2)c1)c1cccc(C#N)c1	ZINC000378452901	428401770	/nfs/dbraw/zinc/40/17/70/428401770.db2.gz	HXQGOGMFFASMAR-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
CC[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc(Cl)c1	ZINC000347013952	428407556	/nfs/dbraw/zinc/40/75/56/428407556.db2.gz	PWGCLAYXRGZCHU-AWEZNQCLSA-N	0	3	305.809	2.943	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000353156870	428409258	/nfs/dbraw/zinc/40/92/58/428409258.db2.gz	SXPVRUPDIWFRJS-WBVHZDCISA-N	0	3	309.381	2.521	20	30		DFEDHN
COc1ccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1	ZINC000347019710	428411803	/nfs/dbraw/zinc/41/18/03/428411803.db2.gz	XKLFXWKQMDLODW-KRWDZBQOSA-N	0	3	315.417	2.544	20	30		DFEDHN
Cc1cc(C)n([C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000371160008	428373719	/nfs/dbraw/zinc/37/37/19/428373719.db2.gz	IKIMGMZNOSRBIM-RTBURBONSA-N	0	3	324.428	2.742	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C)C2(CCCCC2)C1	ZINC000360626109	428374568	/nfs/dbraw/zinc/37/45/68/428374568.db2.gz	DFAJDINDWVYIBC-LSDHHAIUSA-N	0	3	321.465	2.679	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@H](n3nc(C)nc3C)C2)cc1	ZINC000371378416	428384582	/nfs/dbraw/zinc/38/45/82/428384582.db2.gz	IPDIMADMNKZCKE-SFHVURJKSA-N	0	3	324.428	2.744	20	30		DFEDHN
C#CC[C@H](NC(=O)N1CCCN(C2CC2)CC1)c1ccccc1	ZINC000371369764	428385228	/nfs/dbraw/zinc/38/52/28/428385228.db2.gz	KVWCXCMFGKSTNT-SFHVURJKSA-N	0	3	311.429	2.631	20	30		DFEDHN
C=C[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000360656723	428386293	/nfs/dbraw/zinc/38/62/93/428386293.db2.gz	JSEXKUPAQQRMDA-MFKMUULPSA-N	0	3	316.854	2.863	20	30		DFEDHN
COc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1Br	ZINC000347082904	428437802	/nfs/dbraw/zinc/43/78/02/428437802.db2.gz	YMZSQYNGQZZMKE-RKDXNWHRSA-N	0	3	311.179	2.795	20	30		DFEDHN
C=CCC(C)(C)C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1	ZINC000342663662	428438517	/nfs/dbraw/zinc/43/85/17/428438517.db2.gz	JMGAHYQXDAXALN-OAHLLOKOSA-N	0	3	320.433	2.529	20	30		DFEDHN
Cc1ccc(C(=O)NCCN[C@H]2CCc3ccc(C#N)cc32)cc1	ZINC000353235413	428444181	/nfs/dbraw/zinc/44/41/81/428444181.db2.gz	BNIIQRDTIQEHOF-IBGZPJMESA-N	0	3	319.408	2.874	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccccc2Cl)CCOCC1	ZINC000347101197	428445684	/nfs/dbraw/zinc/44/56/84/428445684.db2.gz	GWBRBFDUSSDAES-GFCCVEGCSA-N	0	3	306.793	2.664	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000360799978	428445805	/nfs/dbraw/zinc/44/58/05/428445805.db2.gz	UUMGLGQPBABRAK-GWCFXTLKSA-N	0	3	312.291	2.765	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCC([C@@H]2CCOC2)CC1	ZINC000378647024	428449396	/nfs/dbraw/zinc/44/93/96/428449396.db2.gz	PYUVFCBTOMEBAJ-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
CN(CCNc1nccc(C#N)c1Cl)Cc1ccc(F)cc1	ZINC000342792829	428458798	/nfs/dbraw/zinc/45/87/98/428458798.db2.gz	XNPXIJZPBGRZRI-UHFFFAOYSA-N	0	3	318.783	3.290	20	30		DFEDHN
CN1CCC[C@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1=O	ZINC000372548289	428461084	/nfs/dbraw/zinc/46/10/84/428461084.db2.gz	RJGPKKSGVZPMJR-GOSISDBHSA-N	0	3	316.832	2.636	20	30		DFEDHN
CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCCCC2)c1	ZINC000347041313	428420446	/nfs/dbraw/zinc/42/04/46/428420446.db2.gz	SNGGVCXMIZGTSI-ZDUSSCGKSA-N	0	3	313.401	2.981	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)c1nc2cc(Cl)ccn2c1C#N	ZINC000342418021	428427567	/nfs/dbraw/zinc/42/75/67/428427567.db2.gz	RYYZCMZNDMJHLX-LBPRGKRZSA-N	0	3	317.824	2.637	20	30		DFEDHN
CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C#N)cs2)C1	ZINC000084109228	273820252	/nfs/dbraw/zinc/82/02/52/273820252.db2.gz	LKDFLBMEYSAXRY-AWEZNQCLSA-N	0	3	311.410	2.753	20	30		DFEDHN
COc1nc(C)ccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000347226028	428500447	/nfs/dbraw/zinc/50/04/47/428500447.db2.gz	LYBKXXMDFCVFHP-CYBMUJFWSA-N	0	3	320.352	2.775	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(CCOC)[C@H](CC)C1	ZINC000353369807	428506502	/nfs/dbraw/zinc/50/65/02/428506502.db2.gz	ASUQNCOMZFUOAP-GOSISDBHSA-N	0	3	318.461	2.794	20	30		DFEDHN
CCOC(=O)C[C@H]1C[C@H](OC)CN1CCCCC(C)(C)C#N	ZINC000373105540	428518854	/nfs/dbraw/zinc/51/88/54/428518854.db2.gz	AKWUOVTYJLSGFD-CABCVRRESA-N	0	3	310.438	2.749	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)OCC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372598304	428471188	/nfs/dbraw/zinc/47/11/88/428471188.db2.gz	DUQHEOWTMBEPAR-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCN(CCOC)C(=O)c1ccc(CN2CCCCC2)cc1	ZINC000361093399	428536279	/nfs/dbraw/zinc/53/62/79/428536279.db2.gz	ZNFBAHJOMIGDEH-UHFFFAOYSA-N	0	3	316.445	2.947	20	30		DFEDHN
CCN(CC#N)C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1	ZINC000347304653	428537962	/nfs/dbraw/zinc/53/79/62/428537962.db2.gz	LCCVXLHPVNIGJK-INIZCTEOSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N[C@@H](C)CN(C)Cc1ccccc1)OCC	ZINC000343260084	428541383	/nfs/dbraw/zinc/54/13/83/428541383.db2.gz	PFWXAXFZNGCCEJ-FUHWJXTLSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=CCOc1cccc(CN2CCC([C@H](C)NC(C)=O)CC2)c1	ZINC000361155893	428542064	/nfs/dbraw/zinc/54/20/64/428542064.db2.gz	WCHKYTYYBVPDPC-HNNXBMFYSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccccc2-n2cccn2)CC1	ZINC000357587082	428548186	/nfs/dbraw/zinc/54/81/86/428548186.db2.gz	GOVJXVHTRFNQES-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(Cl)cc3c2OCC3)CC1	ZINC000361219584	428549907	/nfs/dbraw/zinc/54/99/07/428549907.db2.gz	FYSMZZHISMLFBF-UHFFFAOYSA-N	0	3	320.820	2.655	20	30		DFEDHN
Cn1nc2ccccc2c1C(=O)C(C#N)c1nc2ccccc2[nH]1	ZINC000357783669	428562876	/nfs/dbraw/zinc/56/28/76/428562876.db2.gz	YSQQQYOOWZVHEQ-GFCCVEGCSA-N	0	3	315.336	2.940	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(COCC(F)(F)F)cc1	ZINC000357814448	428564576	/nfs/dbraw/zinc/56/45/76/428564576.db2.gz	GDSUVBHWJRWUHD-SNVBAGLBSA-N	0	3	300.280	2.541	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1	ZINC000357822890	428564861	/nfs/dbraw/zinc/56/48/61/428564861.db2.gz	JPCNOFNDGGOLTQ-IUODEOHRSA-N	0	3	305.809	2.753	20	30		DFEDHN
Cc1ccc(N2CCN(C)[C@H](Cc3ccccc3)C2)nc1C#N	ZINC000343643466	428565451	/nfs/dbraw/zinc/56/54/51/428565451.db2.gz	DQOOVSSLPOQRCW-QGZVFWFLSA-N	0	3	306.413	2.625	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2C[C@H](C)NC[C@H]2C)cc1C#N	ZINC000415311320	428568154	/nfs/dbraw/zinc/56/81/54/428568154.db2.gz	ZSOKTAAYCBWDEV-QWHCGFSZSA-N	0	3	316.405	2.560	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)CCc2ccc(C#N)cc2)C1	ZINC000347411365	428569385	/nfs/dbraw/zinc/56/93/85/428569385.db2.gz	AAWNXLISJAULNY-UHFFFAOYSA-N	0	3	313.445	2.729	20	30		DFEDHN
CCc1nc2ccccc2n1C1CCN(C(=O)C(C)C#N)CC1	ZINC000357985232	428574596	/nfs/dbraw/zinc/57/45/96/428574596.db2.gz	WXOXGRSRBUMQEW-ZDUSSCGKSA-N	0	3	310.401	2.922	20	30		DFEDHN
C=CCC(C)(C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1	ZINC000358041585	428577689	/nfs/dbraw/zinc/57/76/89/428577689.db2.gz	UBXZWCPGOOCIOZ-INIZCTEOSA-N	0	3	302.418	2.794	20	30		DFEDHN
C[C@@H](NCc1ccncc1OCCN(C)C)c1ccc(C#N)cc1	ZINC000343982909	428600218	/nfs/dbraw/zinc/60/02/18/428600218.db2.gz	LFWQNUPYABXZJK-OAHLLOKOSA-N	0	3	324.428	2.744	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN(Cc2ccccc2)[C@@H](CC)C1	ZINC000353578798	428605504	/nfs/dbraw/zinc/60/55/04/428605504.db2.gz	FAZJDKXZYICYKB-OALUTQOASA-N	0	3	302.462	2.910	20	30		DFEDHN
COc1cc(CN[C@@H](C)CC(=O)OC(C)(C)C)ccc1C#N	ZINC000353609256	428619035	/nfs/dbraw/zinc/61/90/35/428619035.db2.gz	JXBFLANZVFYBMY-LBPRGKRZSA-N	0	3	304.390	2.777	20	30		DFEDHN
CC[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1cccs1	ZINC000347617382	428621093	/nfs/dbraw/zinc/62/10/93/428621093.db2.gz	SQFHZNHMHCPDLI-OAHLLOKOSA-N	0	3	313.426	2.977	20	30		DFEDHN
CN(CCOCc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1	ZINC000344075129	428622285	/nfs/dbraw/zinc/62/22/85/428622285.db2.gz	RNPDFPPFOHLWCN-HXUWFJFHSA-N	0	3	324.424	2.610	20	30		DFEDHN
CO[C@@]1(C)CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000373647319	428627279	/nfs/dbraw/zinc/62/72/79/428627279.db2.gz	LPFVXWXEFPJDIN-KRWDZBQOSA-N	0	3	321.465	2.562	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1	ZINC000347966860	428632712	/nfs/dbraw/zinc/63/27/12/428632712.db2.gz	WBFIXQCMLINYPV-MRXNPFEDSA-N	0	3	302.418	2.854	20	30		DFEDHN
C=CCOCCCN1CCCN(C(=O)c2cccc(C)c2)CC1	ZINC000347958052	428633821	/nfs/dbraw/zinc/63/38/21/428633821.db2.gz	BJTXZCHILGGJPJ-UHFFFAOYSA-N	0	3	316.445	2.736	20	30		DFEDHN
COCCN1[C@H](C)CN(c2cc(C#N)nc3ccccc32)C[C@H]1C	ZINC000131925656	274034768	/nfs/dbraw/zinc/03/47/68/274034768.db2.gz	AOHJYOYTUZEWCX-HUUCEWRRSA-N	0	3	324.428	2.652	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](CC(C)C)C1=O)C(C)C	ZINC000348138695	428641363	/nfs/dbraw/zinc/64/13/63/428641363.db2.gz	AXZMEZWRGRQKSJ-HZPDHXFCSA-N	0	3	321.465	2.652	20	30		DFEDHN
C=CCOCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000348055102	428635703	/nfs/dbraw/zinc/63/57/03/428635703.db2.gz	NBDAHGCRLCDXNO-INIZCTEOSA-N	0	3	321.396	2.614	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)CCC#N	ZINC000358731143	428646545	/nfs/dbraw/zinc/64/65/45/428646545.db2.gz	HBXBFYTUWNAZQQ-CQSZACIVSA-N	0	3	308.470	2.688	20	30		DFEDHN
C=CCC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CCC1	ZINC000358842197	428701274	/nfs/dbraw/zinc/70/12/74/428701274.db2.gz	QKPVNWUVOJNUHE-IYBDPMFKSA-N	0	3	308.466	2.738	20	30		DFEDHN
CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)CC(C)C	ZINC000416263444	428704885	/nfs/dbraw/zinc/70/48/85/428704885.db2.gz	RJCRYLQOYVVLAI-IAGOWNOFSA-N	0	3	302.418	2.936	20	30		DFEDHN
N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000348326581	428707372	/nfs/dbraw/zinc/70/73/72/428707372.db2.gz	IYNFPZVLEMCJIG-RHSMWYFYSA-N	0	3	319.836	2.559	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000416335542	428719303	/nfs/dbraw/zinc/71/93/03/428719303.db2.gz	VSSKZWQKXZOAMT-KRWDZBQOSA-N	0	3	319.405	2.514	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N[C@H](CCN(C)CCOC)c1ccccc1	ZINC000362381324	428725760	/nfs/dbraw/zinc/72/57/60/428725760.db2.gz	XDGJFOHEFAMEQS-NVXWUHKLSA-N	0	3	319.449	2.570	20	30		DFEDHN
Cc1nc2ccccn2c1CNCCOc1ccc(C#N)cc1	ZINC000344596094	428678638	/nfs/dbraw/zinc/67/86/38/428678638.db2.gz	AAPAAOKAEGMEDH-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
Cc1cccc2ncc(CNCCOc3ccc(C#N)cc3)n21	ZINC000344579821	428679074	/nfs/dbraw/zinc/67/90/74/428679074.db2.gz	NSCJNDQTOZQLGH-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C	ZINC000358802902	428682897	/nfs/dbraw/zinc/68/28/97/428682897.db2.gz	GJXAIYCELXOFEF-CABCVRRESA-N	0	3	305.470	2.897	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@H]1CCN(CC2(C#N)CC2)C1	ZINC000362281707	428684895	/nfs/dbraw/zinc/68/48/95/428684895.db2.gz	YMUXEEUBJSCFEX-CQSZACIVSA-N	0	3	304.463	2.509	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cc(F)c(F)cc32)CC1	ZINC000358825189	428692882	/nfs/dbraw/zinc/69/28/82/428692882.db2.gz	FLYVHKOLPMOEGP-UHFFFAOYSA-N	0	3	321.371	2.687	20	30		DFEDHN
CCS[C@@H]1CCC[C@H]1NCC(=O)NC1(C#N)CCCCC1	ZINC000348469415	428754370	/nfs/dbraw/zinc/75/43/70/428754370.db2.gz	NGXZHVOWEBYRBZ-ZIAGYGMSSA-N	0	3	309.479	2.593	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000358984257	428759604	/nfs/dbraw/zinc/75/96/04/428759604.db2.gz	SKCGQPFRPDLOJL-HUUCEWRRSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1C[C@@H](C)O	ZINC000411235756	428764401	/nfs/dbraw/zinc/76/44/01/428764401.db2.gz	GSIWZHMOSULVSH-IAGOWNOFSA-N	0	3	307.482	2.628	20	30		DFEDHN
CC[C@H]1CN(CCC2(C#N)CCCCC2)CCN1CCOC	ZINC000411247251	428764429	/nfs/dbraw/zinc/76/44/29/428764429.db2.gz	ZXFPFMZOEJRIMP-KRWDZBQOSA-N	0	3	307.482	2.893	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC[C@H]1CCCO1	ZINC000411256341	428766681	/nfs/dbraw/zinc/76/66/81/428766681.db2.gz	IEDFWVYFMMXIFB-NVXWUHKLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCC[C@H]1OC(F)F	ZINC000348541697	428776788	/nfs/dbraw/zinc/77/67/88/428776788.db2.gz	XSXUICCZWPRRJQ-RWMBFGLXSA-N	0	3	304.381	2.549	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)NC(CC)(CC)C1=O)C(C)C	ZINC000359031086	428780662	/nfs/dbraw/zinc/78/06/62/428780662.db2.gz	URSPIVLJSAOXMQ-OAHLLOKOSA-N	0	3	321.465	2.796	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(C(=O)N2CCc3ccccc32)CC1	ZINC000411359077	428782975	/nfs/dbraw/zinc/78/29/75/428782975.db2.gz	XJFOCAOUWYGQFE-HNNXBMFYSA-N	0	3	311.429	2.980	20	30		DFEDHN
N#CC1(CCN2CCC(Cn3ccnn3)CC2)CCCCC1	ZINC000411398378	428790800	/nfs/dbraw/zinc/79/08/00/428790800.db2.gz	BOMBHZRRDKFEAF-UHFFFAOYSA-N	0	3	301.438	2.854	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCC(=O)NC23CCC3)c1Cl	ZINC000374750038	428743085	/nfs/dbraw/zinc/74/30/85/428743085.db2.gz	PWGGYPAGWYLBTI-ZDUSSCGKSA-N	0	3	321.783	2.642	20	30		DFEDHN
C[C@H](c1ccccn1)N(C)CCC(=O)Nc1cccc(C#N)c1	ZINC000411421621	428794282	/nfs/dbraw/zinc/79/42/82/428794282.db2.gz	MZJGQGQYKCKRMA-CQSZACIVSA-N	0	3	308.385	2.975	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN[C@@H](CCO)c2ccccc2)c1	ZINC000411449291	428800717	/nfs/dbraw/zinc/80/07/17/428800717.db2.gz	RUILKVFXTPUMCV-SFHVURJKSA-N	0	3	323.396	2.600	20	30		DFEDHN
CCCCCCCC(=O)N1CCC(CN2CCN(C)CC2)CC1	ZINC000362884687	428810092	/nfs/dbraw/zinc/81/00/92/428810092.db2.gz	KLBZBYNYXDTSHN-UHFFFAOYSA-N	0	3	323.525	2.833	20	30		DFEDHN
CCN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O	ZINC000348702096	428816128	/nfs/dbraw/zinc/81/61/28/428816128.db2.gz	DPLPMZPPRDOQEH-OAHLLOKOSA-N	0	3	312.417	2.666	20	30		DFEDHN
CCN(CC(=O)OC(C)(C)C)C1CCN([C@H](C)CCC#N)CC1	ZINC000411628228	428828744	/nfs/dbraw/zinc/82/87/44/428828744.db2.gz	RNNOMDUASPJRHS-OAHLLOKOSA-N	0	3	323.481	2.807	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000411647897	428834644	/nfs/dbraw/zinc/83/46/44/428834644.db2.gz	ZCPAZGUAGBBMMO-UHFFFAOYSA-N	0	3	303.450	2.682	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccccc1	ZINC000375257494	428834853	/nfs/dbraw/zinc/83/48/53/428834853.db2.gz	HNOFOKJAUNYZHS-SJLPKXTDSA-N	0	3	322.412	2.699	20	30		DFEDHN
N#CC1(CC[NH+]2CCC(c3n[n-]c(=O)o3)CC2)CCCCC1	ZINC000411695572	428842096	/nfs/dbraw/zinc/84/20/96/428842096.db2.gz	PCYJAGWVUMCLBK-UHFFFAOYSA-N	0	3	304.394	2.819	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000363412404	428910468	/nfs/dbraw/zinc/91/04/68/428910468.db2.gz	PTZRTOCEUFENJX-ZDUSSCGKSA-N	0	3	307.463	2.976	20	30		DFEDHN
C=C(C)COCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000417892435	428871004	/nfs/dbraw/zinc/87/10/04/428871004.db2.gz	QUWQUNDFBDNXJI-KRWDZBQOSA-N	0	3	319.449	2.702	20	30		DFEDHN
COc1cc(CN[C@H](CO)CC2CCCCC2)ccc1C#N	ZINC000418130125	428885568	/nfs/dbraw/zinc/88/55/68/428885568.db2.gz	UIFVHNNHDAFXNG-KRWDZBQOSA-N	0	3	302.418	2.988	20	30		DFEDHN
Cn1cc(CN2CC[C@H](n3ncc4ccccc43)C2)cc1C#N	ZINC000375451003	428886118	/nfs/dbraw/zinc/88/61/18/428886118.db2.gz	JQHPKBCZJXRTRL-INIZCTEOSA-N	0	3	305.385	2.693	20	30		DFEDHN
Cc1ccc(CC(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000419333477	428932187	/nfs/dbraw/zinc/93/21/87/428932187.db2.gz	MCPOAJYGVXOTQA-IBGZPJMESA-N	0	3	313.445	2.714	20	30		DFEDHN
Cc1nnc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)s1	ZINC000419840496	428941371	/nfs/dbraw/zinc/94/13/71/428941371.db2.gz	SAZWAJAXTNIUPM-QMMMGPOBSA-N	0	3	321.431	2.846	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	ZINC000412086577	428946888	/nfs/dbraw/zinc/94/68/88/428946888.db2.gz	WIPFCPAGSIBNQA-GLJUWKHASA-N	0	3	323.481	2.613	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000363605734	428952371	/nfs/dbraw/zinc/95/23/71/428952371.db2.gz	HVYGUPNAWKCUSO-XYJFISCASA-N	0	3	313.445	2.751	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000363605731	428953234	/nfs/dbraw/zinc/95/32/34/428953234.db2.gz	HVYGUPNAWKCUSO-BQFCYCMXSA-N	0	3	313.445	2.751	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000420258750	428953585	/nfs/dbraw/zinc/95/35/85/428953585.db2.gz	GOXFSQDNASWDRG-CYBMUJFWSA-N	0	3	301.287	2.715	20	30		DFEDHN
Cc1ccc(C#N)c(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1	ZINC000375735451	428956472	/nfs/dbraw/zinc/95/64/72/428956472.db2.gz	YZCBEGSZWABPCD-ROUUACIJSA-N	0	3	321.428	2.786	20	30		DFEDHN
C[C@@H]1C[C@H](Nc2ccncc2C#N)CCN1Cc1ccccc1	ZINC000363689399	428970073	/nfs/dbraw/zinc/97/00/73/428970073.db2.gz	BRDPDNJPHYAZSA-CRAIPNDOSA-N	0	3	306.413	2.840	20	30		DFEDHN
CN(C)Cc1ccc(CNC(=O)NCC(C)(C)CCC#N)cc1	ZINC000349618716	429015380	/nfs/dbraw/zinc/01/53/80/429015380.db2.gz	UMCWAQPWDQVKIA-UHFFFAOYSA-N	0	3	316.449	2.877	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(OC(C)C)c2)nc(C)n1	ZINC000354938355	429019390	/nfs/dbraw/zinc/01/93/90/429019390.db2.gz	BTMCGKFNFSYTIA-HNNXBMFYSA-N	0	3	310.357	2.766	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CC1(F)F)C(C)C	ZINC000421767860	429030906	/nfs/dbraw/zinc/03/09/06/429030906.db2.gz	BYTYXZJVCVBAQT-UKRRQHHQSA-N	0	3	300.393	2.847	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCCC2)C1	ZINC000420966822	428974878	/nfs/dbraw/zinc/97/48/78/428974878.db2.gz	WIKOHSHQAGGOKI-KYJSFNMBSA-N	0	3	305.466	2.941	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1OCCCC#N	ZINC000349407592	428981399	/nfs/dbraw/zinc/98/13/99/428981399.db2.gz	OODXXMMMMGDEPE-GDBMZVCRSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H]1COCC1(C)C	ZINC000451814409	428986728	/nfs/dbraw/zinc/98/67/28/428986728.db2.gz	UEMNRZNDPCBADJ-ZFWWWQNUSA-N	0	3	322.474	2.666	20	30		DFEDHN
N#CC(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccncn1	ZINC000354469550	428988133	/nfs/dbraw/zinc/98/81/33/428988133.db2.gz	RDDFJGWUUBFMEK-CVEARBPZSA-N	0	3	323.352	2.524	20	30		DFEDHN
N#Cc1ccccc1N1CCC[C@@H](NCc2ccc(F)nc2)C1	ZINC000363770344	428988843	/nfs/dbraw/zinc/98/88/43/428988843.db2.gz	TWNQOKODFFIKDD-MRXNPFEDSA-N	0	3	310.376	2.851	20	30		DFEDHN
COc1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1OCCCC#N	ZINC000421365721	428991881	/nfs/dbraw/zinc/99/18/81/428991881.db2.gz	CAIHFYXGIBOISG-HOCLYGCPSA-N	0	3	318.417	2.723	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)C1	ZINC000354590525	428998476	/nfs/dbraw/zinc/99/84/76/428998476.db2.gz	DUCKOLIQWSHCEU-WMZOPIPTSA-N	0	3	313.445	2.922	20	30		DFEDHN
N#Cc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)s1	ZINC000412311971	429011880	/nfs/dbraw/zinc/01/18/80/429011880.db2.gz	ONRSPNYQOHHOHC-UHFFFAOYSA-N	0	3	303.431	2.568	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Br)cc1	ZINC000424103257	429091336	/nfs/dbraw/zinc/09/13/36/429091336.db2.gz	CYZWYDQADSYUMK-GWCFXTLKSA-N	0	3	324.222	2.647	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN(C2CCC2)C1	ZINC000452319389	429094381	/nfs/dbraw/zinc/09/43/81/429094381.db2.gz	DQJPTULXKLKKQU-DNVCBOLYSA-N	0	3	315.461	2.793	20	30		DFEDHN
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424142689	429097954	/nfs/dbraw/zinc/09/79/54/429097954.db2.gz	VPSUBUHTYQPSST-NEPJUHHUSA-N	0	3	316.430	2.837	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1	ZINC000452034048	429042914	/nfs/dbraw/zinc/04/29/14/429042914.db2.gz	RICBDSWCKZMNGW-HZPDHXFCSA-N	0	3	321.465	2.609	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1	ZINC000452048813	429043689	/nfs/dbraw/zinc/04/36/89/429043689.db2.gz	RDSJZGJWIOIIPU-DOSJALAWSA-N	0	3	317.477	2.797	20	30		DFEDHN
CC[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000421971876	429047690	/nfs/dbraw/zinc/04/76/90/429047690.db2.gz	BILYKYQICWRBFI-BRWVUGGUSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1	ZINC000424135335	429096666	/nfs/dbraw/zinc/09/66/66/429096666.db2.gz	JHCMOUIYVTWUKG-HOTGVXAUSA-N	0	3	303.381	2.804	20	30		DFEDHN
C=CCC[C@H](N[C@@H]1CCN[C@@H]1C(=O)OCC)c1ccccc1	ZINC000422994716	429053993	/nfs/dbraw/zinc/05/39/93/429053993.db2.gz	IOHUZCJMRWDHLU-BBWFWOEESA-N	0	3	302.418	2.577	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1F	ZINC000412557859	429060883	/nfs/dbraw/zinc/06/08/83/429060883.db2.gz	JYGMJBDORPQNDN-CZUORRHYSA-N	0	3	306.381	2.807	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	ZINC000424064471	429085846	/nfs/dbraw/zinc/08/58/46/429085846.db2.gz	KIVXERNLPNDBHE-OAHLLOKOSA-N	0	3	323.400	2.709	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1	ZINC000424084114	429088113	/nfs/dbraw/zinc/08/81/13/429088113.db2.gz	DLLCTVFDCMURKE-LBPRGKRZSA-N	0	3	315.295	2.587	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]2C2CC2)c(OC)c1	ZINC000453031481	429143583	/nfs/dbraw/zinc/14/35/83/429143583.db2.gz	YUUBUCAROYRGQD-IRXDYDNUSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C=C)C(C)C	ZINC000424492110	429144972	/nfs/dbraw/zinc/14/49/72/429144972.db2.gz	HDWUIBWBNATRPN-KURKYZTESA-N	0	3	320.477	2.782	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(C#N)s1)N(C)Cc1ccccc1	ZINC000487263262	429146385	/nfs/dbraw/zinc/14/63/85/429146385.db2.gz	FBLPWCXKSKOFFY-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1	ZINC000424532373	429149130	/nfs/dbraw/zinc/14/91/30/429149130.db2.gz	OXNIDUPQIGGKTJ-FZKCQIBNSA-N	0	3	320.433	2.806	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453428733	429149336	/nfs/dbraw/zinc/14/93/36/429149336.db2.gz	AJDVCPNLBSEPDW-MRXNPFEDSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000424155354	429100773	/nfs/dbraw/zinc/10/07/73/429100773.db2.gz	LAZBLUSQNIACTR-QYZOEREBSA-N	0	3	324.424	2.937	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CCC[C@@]3(CCCCO3)C2)cc1	ZINC000376468722	429117713	/nfs/dbraw/zinc/11/77/13/429117713.db2.gz	MQZQOYZELCHSBF-MSOLQXFVSA-N	0	3	300.402	2.627	20	30		DFEDHN
C=CCn1cc(CN[C@@H](Cc2cccc(OC)c2)C2CC2)nn1	ZINC000424290917	429121461	/nfs/dbraw/zinc/12/14/61/429121461.db2.gz	CMZDKGRAIFSWCK-SFHVURJKSA-N	0	3	312.417	2.584	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)nn1	ZINC000424300688	429123268	/nfs/dbraw/zinc/12/32/68/429123268.db2.gz	YNUBVNJAPPNKPZ-MORSLUCNSA-N	0	3	312.417	2.755	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000364010297	429156978	/nfs/dbraw/zinc/15/69/78/429156978.db2.gz	CDUXNZCSCAQMMI-LSDHHAIUSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424324890	429126880	/nfs/dbraw/zinc/12/68/80/429126880.db2.gz	KJHQZYCMWNUHLQ-HEHGZKQESA-N	0	3	321.446	2.791	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C	ZINC000435355041	429132524	/nfs/dbraw/zinc/13/25/24/429132524.db2.gz	SNOSGYWDSLDRRZ-YOEHRIQHSA-N	0	3	311.429	2.531	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C	ZINC000435355040	429133788	/nfs/dbraw/zinc/13/37/88/429133788.db2.gz	SNOSGYWDSLDRRZ-WMLDXEAASA-N	0	3	311.429	2.531	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)cc(CN)c1	ZINC000424426078	429139927	/nfs/dbraw/zinc/13/99/27/429139927.db2.gz	LDFUBZYXLDITNP-GDBMZVCRSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NC(=O)c1oc2ccccc2c1CN(C)C	ZINC000452919024	429141329	/nfs/dbraw/zinc/14/13/29/429141329.db2.gz	CQRFEGUDKSWQJN-CABCVRRESA-N	0	3	314.385	2.568	20	30		DFEDHN
Cc1cc(CN(C)C[C@H]2CCCN2c2cccnn2)ccc1C#N	ZINC000487890822	429172264	/nfs/dbraw/zinc/17/22/64/429172264.db2.gz	ANTMEDFQRDJGML-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
Cc1cc(CN(C)C[C@@H](O)COCc2ccccc2)ccc1C#N	ZINC000487918081	429172951	/nfs/dbraw/zinc/17/29/51/429172951.db2.gz	NOKTVCSFUISXKN-HXUWFJFHSA-N	0	3	324.424	2.876	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000454961554	429177263	/nfs/dbraw/zinc/17/72/63/429177263.db2.gz	ONIQPWASGLWEKO-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@H]1C[C@@H]1CN1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000488333517	429178087	/nfs/dbraw/zinc/17/80/87/429178087.db2.gz	NDDSWGVTSCHRIO-LSDHHAIUSA-N	0	3	306.413	2.884	20	30		DFEDHN
CCNC(=O)C1(CN[C@H](C)c2ccc(C#N)cc2F)CCC1	ZINC000488464357	429179629	/nfs/dbraw/zinc/17/96/29/429179629.db2.gz	NCOANZBEFBJAOI-GFCCVEGCSA-N	0	3	303.381	2.654	20	30		DFEDHN
C[C@@H](NCC1(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000495173344	429184419	/nfs/dbraw/zinc/18/44/19/429184419.db2.gz	KZYAYOJZVCUITH-ZIAGYGMSSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000488579903	429185986	/nfs/dbraw/zinc/18/59/86/429185986.db2.gz	JFMLICMOAJBRKS-KRWDZBQOSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000455320088	429186401	/nfs/dbraw/zinc/18/64/01/429186401.db2.gz	HFWMBTHIPSPAIU-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000455320078	429186730	/nfs/dbraw/zinc/18/67/30/429186730.db2.gz	HFWMBTHIPSPAIU-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(CC)CN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495219053	429189012	/nfs/dbraw/zinc/18/90/12/429189012.db2.gz	DXKUGYAVVWDPHX-CABCVRRESA-N	0	3	312.454	2.957	20	30		DFEDHN
C=CCC1(CNC(=O)Nc2ccnn2CCN(C)C)CCCC1	ZINC000455652913	429192892	/nfs/dbraw/zinc/19/28/92/429192892.db2.gz	ZZNQWOJJODYENT-UHFFFAOYSA-N	0	3	319.453	2.703	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1C	ZINC000455749203	429206876	/nfs/dbraw/zinc/20/68/76/429206876.db2.gz	DIERORSOPFHXQA-RHSMWYFYSA-N	0	3	313.445	2.726	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455778434	429211166	/nfs/dbraw/zinc/21/11/66/429211166.db2.gz	GRQVMGNXDVHMHN-UHFFFAOYSA-N	0	3	323.828	2.658	20	30		DFEDHN
CCN1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000439538056	429218523	/nfs/dbraw/zinc/21/85/23/429218523.db2.gz	WZLFHTSXGMSCSF-UHFFFAOYSA-N	0	3	309.360	2.687	20	30		DFEDHN
N#Cc1ccc(OCCN[C@]2(CO)CCCc3ccccc32)cc1	ZINC000440480276	429224757	/nfs/dbraw/zinc/22/47/57/429224757.db2.gz	JMIIVBOTYZWYFL-FQEVSTJZSA-N	0	3	322.408	2.751	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc(CC#N)c1	ZINC000455923469	429224782	/nfs/dbraw/zinc/22/47/82/429224782.db2.gz	TXZJGQNLMDDLNJ-HNNXBMFYSA-N	0	3	300.406	2.558	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1	ZINC000441004179	429229001	/nfs/dbraw/zinc/22/90/01/429229001.db2.gz	ZLZDVAWETOOASR-UHFFFAOYSA-N	0	3	318.465	2.656	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1scnc1C)C(C)C	ZINC000046745009	275425937	/nfs/dbraw/zinc/42/59/37/275425937.db2.gz	FEIBFYDFIMAVRL-CQSZACIVSA-N	0	3	307.463	2.880	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000456012584	429231972	/nfs/dbraw/zinc/23/19/72/429231972.db2.gz	VTPPGHSAGNMAIR-MRXNPFEDSA-N	0	3	300.406	2.815	20	30		DFEDHN
C[C@H]1CCN(Cc2ccccc2)CCN1Cc1cc(C#N)n(C)c1	ZINC000365235122	429283699	/nfs/dbraw/zinc/28/36/99/429283699.db2.gz	SDQQBGRDCZOYMY-KRWDZBQOSA-N	0	3	322.456	2.993	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000442687553	429234574	/nfs/dbraw/zinc/23/45/74/429234574.db2.gz	YLOJEBIAIIPWRV-RDTXWAMCSA-N	0	3	300.402	2.889	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@@H](CO)c1ccccc1	ZINC000456088855	429239893	/nfs/dbraw/zinc/23/98/93/429239893.db2.gz	UQBCBXLKCJPICW-OALUTQOASA-N	0	3	322.408	2.951	20	30		DFEDHN
C=CCOCCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000495652084	429240075	/nfs/dbraw/zinc/24/00/75/429240075.db2.gz	OKVZFVIGELECNV-GJZGRUSLSA-N	0	3	312.454	2.814	20	30		DFEDHN
C=C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1OC	ZINC000489448190	429241730	/nfs/dbraw/zinc/24/17/30/429241730.db2.gz	RAQRSQDZVSOPIC-IRXDYDNUSA-N	0	3	305.418	2.613	20	30		DFEDHN
Cc1ncsc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000456097795	429241816	/nfs/dbraw/zinc/24/18/16/429241816.db2.gz	AZGANEPPGHYTOE-HNNXBMFYSA-N	0	3	313.426	2.883	20	30		DFEDHN
C=CCCCN1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000495667907	429241918	/nfs/dbraw/zinc/24/19/18/429241918.db2.gz	FALHKQBGRRJGJM-HUUCEWRRSA-N	0	3	310.438	2.663	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2ccc(C(F)(F)F)c(C#N)n2)CCN1C	ZINC000443513892	429254168	/nfs/dbraw/zinc/25/41/68/429254168.db2.gz	YCAUHZZJRQASAA-MNOVXSKESA-N	0	3	312.339	2.891	20	30		DFEDHN
CC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C	ZINC000443525179	429254356	/nfs/dbraw/zinc/25/43/56/429254356.db2.gz	YENXAYSYUZNPIK-OAHLLOKOSA-N	0	3	322.368	2.850	20	30		DFEDHN
C=C(C)CCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495746605	429257975	/nfs/dbraw/zinc/25/79/75/429257975.db2.gz	NBKLVJJXUXVQJU-HUUCEWRRSA-N	0	3	312.454	2.957	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C	ZINC000490036765	429274206	/nfs/dbraw/zinc/27/42/06/429274206.db2.gz	RKPQTRZTEYOKGY-WMZOPIPTSA-N	0	3	313.445	2.935	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000448828963	429319293	/nfs/dbraw/zinc/31/92/93/429319293.db2.gz	SUBIHMBFKUZRDE-CXAGYDPISA-N	0	3	317.458	2.626	20	30		DFEDHN
Cc1csc(=O)n1CCN(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425540559	429319668	/nfs/dbraw/zinc/31/96/68/429319668.db2.gz	VQUOARRUSYNLSB-ZDUSSCGKSA-N	0	3	301.415	2.783	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCCN(c2ncccn2)CC1	ZINC000365444991	429321196	/nfs/dbraw/zinc/32/11/96/429321196.db2.gz	UQDPRJQLKLFGRY-UHFFFAOYSA-N	0	3	301.438	2.709	20	30		DFEDHN
C=CCC1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCCCC1	ZINC000448975501	429321996	/nfs/dbraw/zinc/32/19/96/429321996.db2.gz	HWXFTRWHSOYLTP-KRWDZBQOSA-N	0	3	321.509	2.513	20	30		DFEDHN
CO[C@@H]([C@@H](C)NC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000456560329	429323804	/nfs/dbraw/zinc/32/38/04/429323804.db2.gz	LGJBSJYSJRKKAA-COXVUDFISA-N	0	3	300.402	2.689	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1Cl	ZINC000365477964	429326427	/nfs/dbraw/zinc/32/64/27/429326427.db2.gz	PFXFMVFJVIKLIP-WBMJQRKESA-N	0	3	324.783	2.778	20	30		DFEDHN
COCCOc1ncccc1CNC1CCC(C)(C#N)CC1	ZINC000449081871	429327095	/nfs/dbraw/zinc/32/70/95/429327095.db2.gz	IPZQCBBHHGHXGU-UHFFFAOYSA-N	0	3	303.406	2.669	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000491182312	429332405	/nfs/dbraw/zinc/33/24/05/429332405.db2.gz	ZYMRVQPRLUSTRI-FGTMMUONSA-N	0	3	313.445	2.781	20	30		DFEDHN
CN(CCNC(=O)/C=C\c1cccc(C#N)c1)Cc1ccccc1	ZINC000491213465	429335603	/nfs/dbraw/zinc/33/56/03/429335603.db2.gz	XWPRDRNFKAGFFL-KHPPLWFESA-N	0	3	319.408	2.820	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccco1	ZINC000425781299	429346315	/nfs/dbraw/zinc/34/63/15/429346315.db2.gz	FCLIEUMCTFOWFR-BYNSBNAKSA-N	0	3	318.421	2.700	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc([C@@H](C)OC)c2)CC1	ZINC000490603731	429296182	/nfs/dbraw/zinc/29/61/82/429296182.db2.gz	GAHACVQPBYNCHX-CQSZACIVSA-N	0	3	300.402	2.678	20	30		DFEDHN
C#CCN(CC)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000490649022	429298553	/nfs/dbraw/zinc/29/85/53/429298553.db2.gz	DHOZMNPQIQLLAE-MRXNPFEDSA-N	0	3	313.445	2.877	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000495957272	429300199	/nfs/dbraw/zinc/30/01/99/429300199.db2.gz	MMEGDWXZSQTHGX-HUUCEWRRSA-N	0	3	307.438	2.915	20	30		DFEDHN
COc1cc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)ccc1OCCO	ZINC000447563852	429304958	/nfs/dbraw/zinc/30/49/58/429304958.db2.gz	SPHZDHXXNAJKCJ-LZWOXQAQSA-N	0	3	318.417	2.799	20	30		DFEDHN
C=CCCCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000447986035	429308769	/nfs/dbraw/zinc/30/87/69/429308769.db2.gz	AHHWMDWLRUYADR-UHFFFAOYSA-N	0	3	305.426	2.546	20	30		DFEDHN
C=CCC1(CNC(=O)[C@H]2CCCN2C2CCOCC2)CCCC1	ZINC000456483105	429314250	/nfs/dbraw/zinc/31/42/50/429314250.db2.gz	GFAOVENNEALEAM-QGZVFWFLSA-N	0	3	320.477	2.883	20	30		DFEDHN
CN(CCNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C	ZINC000496563211	429314577	/nfs/dbraw/zinc/31/45/77/429314577.db2.gz	GHMWVZAAZNXOIO-UHFFFAOYSA-N	0	3	307.369	2.654	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000448772961	429316872	/nfs/dbraw/zinc/31/68/72/429316872.db2.gz	FQZZDHYNRWVGDQ-HPBDAGMYSA-N	0	3	314.429	2.529	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2cccc(F)c2C#N)C1	ZINC000496888612	429317252	/nfs/dbraw/zinc/31/72/52/429317252.db2.gz	BDUZAMSOOBZIPY-OCCSQVGLSA-N	0	3	319.380	2.654	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1	ZINC000491718891	429397123	/nfs/dbraw/zinc/39/71/23/429397123.db2.gz	WXTXVHKPFUTOHR-YJBOKZPZSA-N	0	3	313.445	2.560	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000491739831	429400661	/nfs/dbraw/zinc/40/06/61/429400661.db2.gz	UGUXLWPJNDBMOX-GJZGRUSLSA-N	0	3	301.434	2.779	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000491742443	429400707	/nfs/dbraw/zinc/40/07/07/429400707.db2.gz	QDQJXOZXBSCWGP-GOEBONIOSA-N	0	3	302.393	2.518	20	30		DFEDHN
C#C[C@@H](NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000491746059	429402221	/nfs/dbraw/zinc/40/22/21/429402221.db2.gz	ZLOJNAKKGKABCY-ZIAGYGMSSA-N	0	3	301.308	2.866	20	30		DFEDHN
C#CCNC(=O)[C@H](C)S[C@H]1CCCN(Cc2ccccc2)C1	ZINC000491754443	429403045	/nfs/dbraw/zinc/40/30/45/429403045.db2.gz	SUAPCQFBQOOKLQ-RDJZCZTQSA-N	0	3	316.470	2.522	20	30		DFEDHN
CCCN1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000365932868	429405790	/nfs/dbraw/zinc/40/57/90/429405790.db2.gz	YOWSBKFKNQVOLF-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c3c(ccc2Cl)OCC3)CC1	ZINC000491779539	429406783	/nfs/dbraw/zinc/40/67/83/429406783.db2.gz	JIFMFHFTMQEYCA-UHFFFAOYSA-N	0	3	318.804	2.559	20	30		DFEDHN
C#CCN1CCC(C(=O)NC[C@]2(C)C[C@H]2c2ccccc2)CC1	ZINC000491340160	429350227	/nfs/dbraw/zinc/35/02/27/429350227.db2.gz	VXHAWPITONAUMZ-ICSRJNTNSA-N	0	3	310.441	2.642	20	30		DFEDHN
C=C(CC)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000456824393	429351150	/nfs/dbraw/zinc/35/11/50/429351150.db2.gz	FFXQWTRAOYYGGX-UHFFFAOYSA-N	0	3	301.434	2.525	20	30		DFEDHN
C#CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1	ZINC000491385348	429355330	/nfs/dbraw/zinc/35/53/30/429355330.db2.gz	RCTGCYTWMQBMNK-NVXWUHKLSA-N	0	3	311.429	2.629	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCCC1	ZINC000491407880	429357791	/nfs/dbraw/zinc/35/77/91/429357791.db2.gz	WVXGDXRMRUNGSK-TZMCWYRMSA-N	0	3	323.437	2.736	20	30		DFEDHN
C=CCCCC(=O)NC1CCN(CCc2ccncc2)CC1	ZINC000365823365	429379978	/nfs/dbraw/zinc/37/99/78/429379978.db2.gz	GVTPBLULPMSKOD-UHFFFAOYSA-N	0	3	301.434	2.561	20	30		DFEDHN
COC(=O)c1cccc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1C#N	ZINC000516395694	429380476	/nfs/dbraw/zinc/38/04/76/429380476.db2.gz	CJPFSTHBIQQRAR-VQUGOPFGSA-N	0	3	322.408	2.989	20	30		DFEDHN
C=CCOc1cccc(CN2CCC3(CCN(C)C3=O)CC2)c1	ZINC000365827816	429382248	/nfs/dbraw/zinc/38/22/48/429382248.db2.gz	CYXDLTCJDLHRRF-UHFFFAOYSA-N	0	3	314.429	2.696	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1ccc(-c2cccs2)o1	ZINC000491637722	429382958	/nfs/dbraw/zinc/38/29/58/429382958.db2.gz	UTHSUOPRIJBGSZ-UHFFFAOYSA-N	0	3	302.399	2.693	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CNCC2(CC#N)CC2)c1C	ZINC000516862439	429383562	/nfs/dbraw/zinc/38/35/62/429383562.db2.gz	BVJINFRIXZIEOS-INIZCTEOSA-N	0	3	302.418	2.635	20	30		DFEDHN
Cc1cccc(CN2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)c1	ZINC000365840322	429383775	/nfs/dbraw/zinc/38/37/75/429383775.db2.gz	MMSZUOHAOSSIQS-UHFFFAOYSA-N	0	3	322.412	2.589	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000457045260	429384666	/nfs/dbraw/zinc/38/46/66/429384666.db2.gz	AHUVJRSUGSQXMC-UHFFFAOYSA-N	0	3	311.429	2.580	20	30		DFEDHN
C[C@@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCO[C@H]1C1CC1	ZINC000517033358	429385316	/nfs/dbraw/zinc/38/53/16/429385316.db2.gz	IGANVWXNKIESKC-JKSUJKDBSA-N	0	3	301.346	2.514	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H]1CCCc2ccccc21	ZINC000491662955	429387337	/nfs/dbraw/zinc/38/73/37/429387337.db2.gz	QWJVXLBFOJPUAB-SFHVURJKSA-N	0	3	313.445	2.661	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1	ZINC000491666598	429388384	/nfs/dbraw/zinc/38/83/84/429388384.db2.gz	HTAVPWFDGNWDHM-UHFFFAOYSA-N	0	3	323.440	2.746	20	30		DFEDHN
C#C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1	ZINC000491671456	429389455	/nfs/dbraw/zinc/38/94/55/429389455.db2.gz	SBDQYMPEGPAXLO-ZBFHGGJFSA-N	0	3	317.820	2.550	20	30		DFEDHN
C=C[C@H](CO)NC1CC(c2ccc(Br)cc2F)C1	ZINC000449328905	429390173	/nfs/dbraw/zinc/39/01/73/429390173.db2.gz	LOIHDLVZQFVRLF-CKBZRRDASA-N	0	3	314.198	2.971	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CC(=O)N(CC)C2)cc1Cl	ZINC000449519322	429442219	/nfs/dbraw/zinc/44/22/19/429442219.db2.gz	PYRNIENJJDTOPF-CYBMUJFWSA-N	0	3	308.809	2.615	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(OC)s1	ZINC000449519831	429442854	/nfs/dbraw/zinc/44/28/54/429442854.db2.gz	NWAKUDFHDVKBDO-MNOVXSKESA-N	0	3	318.236	2.952	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCOC[C@@H](C2CCC2)C1	ZINC000366421845	429450995	/nfs/dbraw/zinc/45/09/95/429450995.db2.gz	QUUITSBOLZJMES-RDJZCZTQSA-N	0	3	308.466	2.548	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\Sc2ccccc2)CC1	ZINC000492054939	429459176	/nfs/dbraw/zinc/45/91/76/429459176.db2.gz	APFYZDGBAATUIM-PTNGSMBKSA-N	0	3	314.454	2.896	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCOC[C@H](C2CCC2)C1	ZINC000366488167	429462100	/nfs/dbraw/zinc/46/21/00/429462100.db2.gz	IBVUWVINDVVGTE-QGZVFWFLSA-N	0	3	300.402	2.686	20	30		DFEDHN
C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CCC1	ZINC000457441090	429465057	/nfs/dbraw/zinc/46/50/57/429465057.db2.gz	AKPBRBNHZYIQQJ-OAHLLOKOSA-N	0	3	313.445	2.885	20	30		DFEDHN
N#CCc1ccc(OC[C@H](O)CN2CC(C3CCCC3)C2)cc1	ZINC000366504340	429465497	/nfs/dbraw/zinc/46/54/97/429465497.db2.gz	KGGVWIKPYNPEFP-GOSISDBHSA-N	0	3	314.429	2.614	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)cc1C#N	ZINC000449633763	429465801	/nfs/dbraw/zinc/46/58/01/429465801.db2.gz	QAZIRYWWLJMKRQ-SJORKVTESA-N	0	3	300.402	2.956	20	30		DFEDHN
CC(C)(O)CN(Cc1ccc(C#N)cc1OC(F)F)C1CC1	ZINC000426730027	429411794	/nfs/dbraw/zinc/41/17/94/429411794.db2.gz	ITUBFHHKTLNIJI-UHFFFAOYSA-N	0	3	310.344	2.895	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000491813795	429413696	/nfs/dbraw/zinc/41/36/96/429413696.db2.gz	INFBMLHMYBSXLS-HOTGVXAUSA-N	0	3	313.445	2.875	20	30		DFEDHN
C[C@H](C#N)CSc1ccccc1NC(=O)/C=C\CN(C)C	ZINC000491870377	429423772	/nfs/dbraw/zinc/42/37/72/429423772.db2.gz	OSARRCNPJPBRPQ-OYVUYXNMSA-N	0	3	303.431	2.995	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(F)c1C#N	ZINC000427000760	429427748	/nfs/dbraw/zinc/42/77/48/429427748.db2.gz	FMOKTNQYGPDZIY-BETUJISGSA-N	0	3	303.381	2.690	20	30		DFEDHN
C[C@@H](CCCC(F)(F)F)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000492400303	429528739	/nfs/dbraw/zinc/52/87/39/429528739.db2.gz	RHJMORFFJNXKPC-GXFFZTMASA-N	0	3	313.323	2.795	20	30		DFEDHN
C[C@H](CCCC(F)(F)F)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000492400305	429529514	/nfs/dbraw/zinc/52/95/14/429529514.db2.gz	RHJMORFFJNXKPC-ZWNOBZJWSA-N	0	3	313.323	2.795	20	30		DFEDHN
COc1ncccc1CCNC(=O)C(C#N)CCc1ccccc1	ZINC000428072163	429489137	/nfs/dbraw/zinc/48/91/37/429489137.db2.gz	UALFQROUUKQGOF-QGZVFWFLSA-N	0	3	323.396	2.521	20	30		DFEDHN
COc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1OCCCC#N	ZINC000449767020	429502483	/nfs/dbraw/zinc/50/24/83/429502483.db2.gz	PMAPNLOGHKFUHL-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ncc1C#N	ZINC000457748857	429520140	/nfs/dbraw/zinc/52/01/40/429520140.db2.gz	RMFIKNMGVROHTK-KDOFPFPSSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ncccc2SCC)CC1	ZINC000449845099	429522873	/nfs/dbraw/zinc/52/28/73/429522873.db2.gz	ODJBKNIOZYPAMH-UHFFFAOYSA-N	0	3	305.447	2.574	20	30		DFEDHN
Cc1cc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1C#N	ZINC000428853903	429555955	/nfs/dbraw/zinc/55/59/55/429555955.db2.gz	YROSUOQIGWTGDN-RDTXWAMCSA-N	0	3	307.397	2.614	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000450108301	429568436	/nfs/dbraw/zinc/56/84/36/429568436.db2.gz	USMFBTGAEWGBSN-GUYCJALGSA-N	0	3	322.412	2.588	20	30		DFEDHN
C=CC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000522044451	429577864	/nfs/dbraw/zinc/57/78/64/429577864.db2.gz	SWEZKQMAAICFJI-SFHVURJKSA-N	0	3	313.445	2.718	20	30		DFEDHN
CC(C)[C@@H](CNc1nccc(C#N)n1)N1CCc2ccccc2C1	ZINC000450248922	429585479	/nfs/dbraw/zinc/58/54/79/429585479.db2.gz	UUCWWGYUCGTZNV-GOSISDBHSA-N	0	3	321.428	2.843	20	30		DFEDHN
Cc1cc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c(C#N)cn1	ZINC000521229122	429543329	/nfs/dbraw/zinc/54/33/29/429543329.db2.gz	WTJCVUNYVRVVIB-MAUKXSAKSA-N	0	3	306.413	2.931	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2COCC)CC1	ZINC000458328870	429621858	/nfs/dbraw/zinc/62/18/58/429621858.db2.gz	XVKHGUBAXDOJIC-QGZVFWFLSA-N	0	3	323.481	2.628	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000492844460	429629117	/nfs/dbraw/zinc/62/91/17/429629117.db2.gz	WPLVMUNEKLOMKH-QWGSZXSUSA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000492902206	429640311	/nfs/dbraw/zinc/64/03/11/429640311.db2.gz	XTLFDDRQCVIRHC-YDZSZYSISA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1cccc(C#N)c1[N+](=O)[O-]	ZINC000450526284	429641968	/nfs/dbraw/zinc/64/19/68/429641968.db2.gz	UOGHRMGSTQPGFM-JSGCOSHPSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450274543	429591384	/nfs/dbraw/zinc/59/13/84/429591384.db2.gz	KLVZLDCRYWVASF-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450274545	429591588	/nfs/dbraw/zinc/59/15/88/429591588.db2.gz	KLVZLDCRYWVASF-QWHCGFSZSA-N	0	3	302.378	2.999	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2cccc(O)c2)CC1	ZINC000492703664	429598109	/nfs/dbraw/zinc/59/81/09/429598109.db2.gz	KMWKJAJLVQPGML-SREVYHEPSA-N	0	3	300.402	2.562	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1	ZINC000458199446	429600268	/nfs/dbraw/zinc/60/02/68/429600268.db2.gz	RHQAGPCIWWWWQR-HNNXBMFYSA-N	0	3	320.433	2.855	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1cc(C#N)cs1	ZINC000458221643	429605257	/nfs/dbraw/zinc/60/52/57/429605257.db2.gz	KIMSTWFRUADSRD-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000367614235	429684884	/nfs/dbraw/zinc/68/48/84/429684884.db2.gz	FXZJIZHIXOOGJD-IVMMDQJWSA-N	0	3	305.447	2.797	20	30		DFEDHN
C[C@@H](CCCc1cccnc1)NCC(=O)Nc1ccc(C#N)cc1	ZINC000459651140	429700553	/nfs/dbraw/zinc/70/05/53/429700553.db2.gz	YQYAZPVBSULWQW-HNNXBMFYSA-N	0	3	322.412	2.893	20	30		DFEDHN
Cc1nn(C)c(N2CCN(C[C@H]3CCCC[C@@H]3C)CC2)c1C#N	ZINC000471809570	429712144	/nfs/dbraw/zinc/71/21/44/429712144.db2.gz	IKLSXBUCYGKRSF-GOEBONIOSA-N	0	3	315.465	2.549	20	30		DFEDHN
COc1ccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)cc1	ZINC000430760786	429713433	/nfs/dbraw/zinc/71/34/33/429713433.db2.gz	JTDFKQWVKMEGLU-ZDUSSCGKSA-N	0	3	301.390	2.696	20	30		DFEDHN
COc1ccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)cc1	ZINC000430760783	429714720	/nfs/dbraw/zinc/71/47/20/429714720.db2.gz	JTDFKQWVKMEGLU-CYBMUJFWSA-N	0	3	301.390	2.696	20	30		DFEDHN
CC#CCCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000483403338	429734519	/nfs/dbraw/zinc/73/45/19/429734519.db2.gz	IISDTCRJZWADPF-GOSISDBHSA-N	0	3	313.445	2.706	20	30		DFEDHN
COC[C@@]1(NCc2ccc(C#N)s2)COc2ccccc2C1	ZINC000527802060	429802609	/nfs/dbraw/zinc/80/26/09/429802609.db2.gz	YRFFMMOXKDYUCQ-QGZVFWFLSA-N	0	3	314.410	2.730	20	30		DFEDHN
O[C@@H]1C[C@H]([C@@H]2CCCOC2)N(CC#Cc2ccc(Cl)cc2)C1	ZINC000451293271	429804419	/nfs/dbraw/zinc/80/44/19/429804419.db2.gz	AYVVGRGCRXFNQU-KBAYOESNSA-N	0	3	319.832	2.553	20	30		DFEDHN
CCC1CCC(N(CC(=O)NC2(C#N)CCC2)C2CC2)CC1	ZINC000527377271	429747432	/nfs/dbraw/zinc/74/74/32/429747432.db2.gz	WKSKRDAAADROSG-UHFFFAOYSA-N	0	3	303.450	2.982	20	30		DFEDHN
CCCN(CC(=O)NC1(C#N)CCC1)[C@H]1CCc2ccccc21	ZINC000527377785	429748041	/nfs/dbraw/zinc/74/80/41/429748041.db2.gz	DOSKJVVCZZQJFR-KRWDZBQOSA-N	0	3	311.429	2.948	20	30		DFEDHN
Cc1ccccc1CCN(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000451171556	429779517	/nfs/dbraw/zinc/77/95/17/429779517.db2.gz	SVBGFELLMPDHNX-IBGZPJMESA-N	0	3	324.424	2.781	20	30		DFEDHN
C=CCC1(C(=O)NCCCN2CCCO[C@@H](C)C2)CCCC1	ZINC000451189544	429782342	/nfs/dbraw/zinc/78/23/42/429782342.db2.gz	FPDWBHBLFCLDFL-INIZCTEOSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(OCC)c(OC)cc1F	ZINC000527718598	429786011	/nfs/dbraw/zinc/78/60/11/429786011.db2.gz	DNRZDHIXNZCFKI-WFASDCNBSA-N	0	3	309.381	2.914	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000494351817	429868424	/nfs/dbraw/zinc/86/84/24/429868424.db2.gz	SSWIVAJDLAFGLT-QZTJIDSGSA-N	0	3	315.461	2.909	20	30		DFEDHN
CO[C@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C	ZINC000451504585	429837747	/nfs/dbraw/zinc/83/77/47/429837747.db2.gz	RBFXEVUTLZUFJS-KGLIPLIRSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cscc2C#N)C1	ZINC000432882954	429847857	/nfs/dbraw/zinc/84/78/57/429847857.db2.gz	FHLXFSOBRVVXJR-GFCCVEGCSA-N	0	3	305.447	2.860	20	30		DFEDHN
CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1cnc(C#N)cn1	ZINC000528118475	429850780	/nfs/dbraw/zinc/85/07/80/429850780.db2.gz	ZYHQBPLJINOZDL-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
CC(C)[C@@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000528128510	429851288	/nfs/dbraw/zinc/85/12/88/429851288.db2.gz	VQPAUXQYBIKOKL-SFHVURJKSA-N	0	3	323.444	2.639	20	30		DFEDHN
C#CCCN1CCN(CCc2ncc(-c3ccccc3)o2)CC1	ZINC000368460782	429852139	/nfs/dbraw/zinc/85/21/39/429852139.db2.gz	CFDSRDVVHWLOLW-UHFFFAOYSA-N	0	3	309.413	2.525	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1ccc2oc(C(=O)OC)cc2c1	ZINC000451603510	429860520	/nfs/dbraw/zinc/86/05/20/429860520.db2.gz	DAZFFISKVOWGAB-KGLIPLIRSA-N	0	3	301.342	2.653	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1	ZINC000451601579	429860660	/nfs/dbraw/zinc/86/06/60/429860660.db2.gz	AVIGFWABBVGCLB-DTDBQYNISA-N	0	3	316.445	2.748	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCC)Cc1ccc(C)cc1	ZINC000451598621	429860896	/nfs/dbraw/zinc/86/08/96/429860896.db2.gz	LCAQKKAQGDAAHJ-MSOLQXFVSA-N	0	3	316.445	2.667	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000451601596	429860968	/nfs/dbraw/zinc/86/09/68/429860968.db2.gz	BAQXUESPXZSCOM-QKCSRTOESA-N	0	3	324.808	2.609	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@@H]2CCN2C2CCCC2)c1C#N	ZINC000528212405	429861216	/nfs/dbraw/zinc/86/12/16/429861216.db2.gz	XCKNWQZVFPFYNK-ZDUSSCGKSA-N	0	3	304.825	3.344	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2cc(C)ccc2F)C1=O	ZINC000451609277	429861418	/nfs/dbraw/zinc/86/14/18/429861418.db2.gz	VMDIXNWLPNSMQF-INMHGKMJSA-N	0	3	318.392	2.563	20	30		DFEDHN
C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000494237921	429861515	/nfs/dbraw/zinc/86/15/15/429861515.db2.gz	NWNRGPRUUNNYCZ-MMPTUQATSA-N	0	3	321.808	2.696	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCN2C2CCCC2)nc2ccccc12	ZINC000528210409	429862003	/nfs/dbraw/zinc/86/20/03/429862003.db2.gz	PDYPMJYYKXFGHB-MRXNPFEDSA-N	0	3	306.413	3.535	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@]1(C)CCO[C@@H]1C	ZINC000494258011	429862915	/nfs/dbraw/zinc/86/29/15/429862915.db2.gz	WNEJGLZKQBADNG-JJRVBVJISA-N	0	3	322.474	2.808	20	30		DFEDHN
C=C(C)CN1CCC(Nc2nccnc2O[C@@H](C)CC)CC1	ZINC000527878075	429812574	/nfs/dbraw/zinc/81/25/74/429812574.db2.gz	BRCPHOQOUZNLQH-AWEZNQCLSA-N	0	3	304.438	3.106	20	30		DFEDHN
Cc1nc([C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)sc1C	ZINC000528363158	429879268	/nfs/dbraw/zinc/87/92/68/429879268.db2.gz	LIUKWFKMKJFBRH-LSDHHAIUSA-N	0	3	319.474	2.994	20	30		DFEDHN
Cc1ccc(OC2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)cc1	ZINC000528382372	429882368	/nfs/dbraw/zinc/88/23/68/429882368.db2.gz	LJGGPJDNYMPHFF-INIZCTEOSA-N	0	3	314.429	2.893	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1	ZINC000528399399	429884785	/nfs/dbraw/zinc/88/47/85/429884785.db2.gz	WTTWYOUHJQSICD-BPAFIMBUSA-N	0	3	322.408	2.991	20	30		DFEDHN
Cc1cnc(C2CCN(C[C@H](O)CC3(C#N)CC3)CC2)s1	ZINC000528476488	429891982	/nfs/dbraw/zinc/89/19/82/429891982.db2.gz	OBBIUHBCYJRUEZ-CQSZACIVSA-N	0	3	305.447	2.686	20	30		DFEDHN
Cn1cc(CN2CC[C@@H](n3cc4ccccc4n3)C2)cc1C#N	ZINC000368995606	429906308	/nfs/dbraw/zinc/90/63/08/429906308.db2.gz	SMNBDELETXSNDL-MRXNPFEDSA-N	0	3	305.385	2.693	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)OCCNC2	ZINC000528710553	429909114	/nfs/dbraw/zinc/90/91/14/429909114.db2.gz	SIQUGSQSWOPEAR-HNNXBMFYSA-N	0	3	301.390	2.741	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@@H](c3cn(C)c4ccccc34)C2)C1=O	ZINC000369058666	429909843	/nfs/dbraw/zinc/90/98/43/429909843.db2.gz	YQGFINIFCFLLFX-BEFAXECRSA-N	0	3	323.440	2.755	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000369106184	429912710	/nfs/dbraw/zinc/91/27/10/429912710.db2.gz	FPSYFLDIGIGLLE-UHFFFAOYSA-N	0	3	318.465	2.586	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](N2CCCCC2)C1	ZINC000369111103	429913580	/nfs/dbraw/zinc/91/35/80/429913580.db2.gz	MWOKPZJQZCTIBN-QZTJIDSGSA-N	0	3	321.509	2.750	20	30		DFEDHN
Cc1nc(C2CCN(CCCC3(C#N)CCOCC3)CC2)no1	ZINC000369201530	429919236	/nfs/dbraw/zinc/91/92/36/429919236.db2.gz	AUDSEMVBBAZNRU-UHFFFAOYSA-N	0	3	318.421	2.658	20	30		DFEDHN
Cc1nccn1CCCN1CCC(C#N)(c2ccccn2)CC1	ZINC000369206334	429919324	/nfs/dbraw/zinc/91/93/24/429919324.db2.gz	MQRHNCBTCNANEJ-UHFFFAOYSA-N	0	3	309.417	2.534	20	30		DFEDHN
C=CCN(CC1CCCCC1)[C@H]1CCN(C2CCOCC2)C1=O	ZINC000369301228	429923106	/nfs/dbraw/zinc/92/31/06/429923106.db2.gz	BCWIRPUELFSCRY-SFHVURJKSA-N	0	3	320.477	2.835	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1c(Cl)cccc1Cl	ZINC000573108668	429926274	/nfs/dbraw/zinc/92/62/74/429926274.db2.gz	COQLSRWMQMZFOL-GFCCVEGCSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#Cc1csc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1	ZINC000557027610	429926684	/nfs/dbraw/zinc/92/66/84/429926684.db2.gz	PYYVTAARSLQZQD-CYBMUJFWSA-N	0	3	313.430	2.995	20	30		DFEDHN
N#Cc1csc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1	ZINC000557027610	429926689	/nfs/dbraw/zinc/92/66/89/429926689.db2.gz	PYYVTAARSLQZQD-CYBMUJFWSA-N	0	3	313.430	2.995	20	30		DFEDHN
CCC(C#N)(CC)C(=O)NCc1ccccc1OCCN(C)C	ZINC000528310555	429873188	/nfs/dbraw/zinc/87/31/88/429873188.db2.gz	OXGBYEGBKMLTKK-UHFFFAOYSA-N	0	3	317.433	2.573	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@H]3CC[C@@H]3C3CC3)C2=O)cc1	ZINC000558270959	429966490	/nfs/dbraw/zinc/96/64/90/429966490.db2.gz	ARWPYTOCSMHTCR-SQNIBIBYSA-N	0	3	309.413	2.832	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC[C@@H]1C(=O)N1CCSCC1	ZINC000369359691	429931188	/nfs/dbraw/zinc/93/11/88/429931188.db2.gz	UDHKTCNBPXXTIP-OAHLLOKOSA-N	0	3	323.506	2.746	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(C2CC2)c1	ZINC000528911220	429933128	/nfs/dbraw/zinc/93/31/28/429933128.db2.gz	YEFZUMBQVUEMNI-CYBMUJFWSA-N	0	3	305.341	2.595	20	30		DFEDHN
CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528919590	429934744	/nfs/dbraw/zinc/93/47/44/429934744.db2.gz	PVGRSOOMQCETKV-WFASDCNBSA-N	0	3	322.368	2.951	20	30		DFEDHN
C=CCCCN1CCCN(C(=O)COc2ccccc2)CC1	ZINC000369404982	429939783	/nfs/dbraw/zinc/93/97/83/429939783.db2.gz	WFCWIHXSZUZYTQ-UHFFFAOYSA-N	0	3	302.418	2.566	20	30		DFEDHN
CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCCC12CC2	ZINC000528997348	429947165	/nfs/dbraw/zinc/94/71/65/429947165.db2.gz	UPFUCSHEWHKYCR-HOTGVXAUSA-N	0	3	310.397	2.934	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H]2[C@@H]2CCCN2C)c1C#N	ZINC000369461335	429950080	/nfs/dbraw/zinc/95/00/80/429950080.db2.gz	BCIPGHUIJDFCGK-GJZGRUSLSA-N	0	3	304.825	2.978	20	30		DFEDHN
C=CCCC1(c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CC1	ZINC000574437554	430042917	/nfs/dbraw/zinc/04/29/17/430042917.db2.gz	AGIJEXHSJUTWLB-CHWSQXEVSA-N	0	3	300.406	2.923	20	30		DFEDHN
COc1ccccc1[C@@H](CNc1cncc(C#N)n1)N1CCCC1	ZINC000561450828	430091291	/nfs/dbraw/zinc/09/12/91/430091291.db2.gz	SVXDDUKZRFYRBA-MRXNPFEDSA-N	0	3	323.400	2.606	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637665938	430101361	/nfs/dbraw/zinc/10/13/61/430101361.db2.gz	VJVKYFAALTZOBJ-HNNXBMFYSA-N	0	3	317.437	2.722	20	30		DFEDHN
C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000637719507	430114809	/nfs/dbraw/zinc/11/48/09/430114809.db2.gz	ODZVBGZPJDJFAS-KRWDZBQOSA-N	0	3	301.434	2.787	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@]2(C)CO)ccc1OC	ZINC000530411784	430114862	/nfs/dbraw/zinc/11/48/62/430114862.db2.gz	RHROJKHECGAYCX-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccc(C#N)cn2)C1	ZINC000574529184	430050590	/nfs/dbraw/zinc/05/05/90/430050590.db2.gz	SRPKHJZQRNVZEO-QGZVFWFLSA-N	0	3	320.440	2.907	20	30		DFEDHN
CCC[C@]1(NC(=O)C(C#N)CCc2ccccc2)CCOC1	ZINC000561242804	430083617	/nfs/dbraw/zinc/08/36/17/430083617.db2.gz	QSLJNIHLMQFFFS-WMZOPIPTSA-N	0	3	300.402	2.834	20	30		DFEDHN
C=CCN(C(=O)Nc1cc(CN(C)C)ccc1OC)C1CC1	ZINC000540065036	430179537	/nfs/dbraw/zinc/17/95/37/430179537.db2.gz	GMOIFSPTSYTHBK-UHFFFAOYSA-N	0	3	303.406	2.939	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1	ZINC000562684313	430165388	/nfs/dbraw/zinc/16/53/88/430165388.db2.gz	WUNMSJBMBLSNHY-RBUKOAKNSA-N	0	3	314.429	2.810	20	30		DFEDHN
C=CCc1cc(CN2CCC(CCO)CC2)cc(OC)c1O	ZINC000536631834	430171659	/nfs/dbraw/zinc/17/16/59/430171659.db2.gz	RKAQYWXXYLITQS-UHFFFAOYSA-N	0	3	305.418	2.724	20	30		DFEDHN
CC(C)(O)CN(CC#Cc1ccc(Cl)cc1)C1CCOCC1	ZINC000530939083	430127709	/nfs/dbraw/zinc/12/77/09/430127709.db2.gz	ROMYXOJAGDIKLX-UHFFFAOYSA-N	0	3	321.848	2.943	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)Cc1cccc(C#N)c1	ZINC000531151602	430133287	/nfs/dbraw/zinc/13/32/87/430133287.db2.gz	FSEJUQQZMYYYFQ-UHFFFAOYSA-N	0	3	321.424	2.691	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]2CCCC[C@H]12	ZINC000531588227	430146109	/nfs/dbraw/zinc/14/61/09/430146109.db2.gz	UTMVLDBIAQVOTR-BRWVUGGUSA-N	0	3	316.449	2.543	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000375617839	277065534	/nfs/dbraw/zinc/06/55/34/277065534.db2.gz	KNKWOMDOSKZYTG-HZPDHXFCSA-N	0	3	317.820	2.910	20	30		DFEDHN
CCC(=O)N1CC[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000581226237	430189029	/nfs/dbraw/zinc/18/90/29/430189029.db2.gz	YJZGQWNLIMISSK-WMZOPIPTSA-N	0	3	311.429	2.926	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nnn(-c2ccccc2)c1C	ZINC000563700469	430191842	/nfs/dbraw/zinc/19/18/42/430191842.db2.gz	MNGKFORPOSUIGE-QRTARXTBSA-N	0	3	312.417	2.817	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@@H](NC[C@H](O)CN(C)CCC#N)CC2	ZINC000564873799	430200324	/nfs/dbraw/zinc/20/03/24/430200324.db2.gz	SAJZEFNHPNVDRW-HKUYNNGSSA-N	0	3	315.461	2.593	20	30		DFEDHN
Cc1ccc(C)c(OC[C@@H](O)CN2CCC(CC#N)CC2)c1C	ZINC000541952247	430197347	/nfs/dbraw/zinc/19/73/47/430197347.db2.gz	MOCVEEPYPRFATN-SFHVURJKSA-N	0	3	316.445	2.977	20	30		DFEDHN
C=C1CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1	ZINC000638031829	430212823	/nfs/dbraw/zinc/21/28/23/430212823.db2.gz	LKSSXRHEWLQCFT-UHFFFAOYSA-N	0	3	316.445	2.550	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543455920	430249794	/nfs/dbraw/zinc/24/97/94/430249794.db2.gz	IXTRJYQXSCUQMR-BBRMVZONSA-N	0	3	317.820	2.768	20	30		DFEDHN
C=CCCCCCNC(=O)NCCCN1CCCO[C@@H](C)C1	ZINC000566438080	430262284	/nfs/dbraw/zinc/26/22/84/430262284.db2.gz	FAVJCHWRZZQBOW-INIZCTEOSA-N	0	3	311.470	2.533	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCCC[C@H]1C	ZINC000567745692	430288009	/nfs/dbraw/zinc/28/80/09/430288009.db2.gz	IQXAYAIQTGHHLE-HZPDHXFCSA-N	0	3	320.481	2.975	20	30		DFEDHN
CC(C)CCN(CCC#N)C(=O)CCN(C)c1ccncc1	ZINC000582378876	430293590	/nfs/dbraw/zinc/29/35/90/430293590.db2.gz	FFEMUZHMNGVLJH-UHFFFAOYSA-N	0	3	302.422	2.696	20	30		DFEDHN
COC1CCC(N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000582968795	430353351	/nfs/dbraw/zinc/35/33/51/430353351.db2.gz	WNLRWLGRQCPAFF-UHFFFAOYSA-N	0	3	303.362	2.856	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2c(C#N)nnc3ccccc32)C[C@@H](C)C1	ZINC000568581949	430371853	/nfs/dbraw/zinc/37/18/53/430371853.db2.gz	FRKIZFWEDJTGLF-SUNYJGFJSA-N	0	3	321.428	2.668	20	30		DFEDHN
N#CCCC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1	ZINC000584181382	430467960	/nfs/dbraw/zinc/46/79/60/430467960.db2.gz	WYHYUIZAHFTULU-IBGZPJMESA-N	0	3	313.445	2.908	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC23CCC(CC2)C3)cc1	ZINC000584345928	430474348	/nfs/dbraw/zinc/47/43/48/430474348.db2.gz	JARZJUMWSDIRTJ-UHFFFAOYSA-N	0	3	318.442	2.502	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](C2CCC2)C1	ZINC000569199153	430431486	/nfs/dbraw/zinc/43/14/86/430431486.db2.gz	XUYYTFCWTXGWDL-MSOLQXFVSA-N	0	3	312.413	2.786	20	30		DFEDHN
C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C1=CCN(C)CC1	ZINC000548637767	430486705	/nfs/dbraw/zinc/48/67/05/430486705.db2.gz	BXWSDTRUDJBGHQ-NSHDSACASA-N	0	3	303.793	2.592	20	30		DFEDHN
CN1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1	ZINC000642200215	430505081	/nfs/dbraw/zinc/50/50/81/430505081.db2.gz	OWUDYLRYZAADGP-UHFFFAOYSA-N	0	3	318.420	2.910	20	30		DFEDHN
N#Cc1nc(NC2CCN(C3CCCC3)CC2)sc1Cl	ZINC000596154349	430508618	/nfs/dbraw/zinc/50/86/18/430508618.db2.gz	LNQHJKFFXULAIP-UHFFFAOYSA-N	0	3	310.854	3.487	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2cccs2)C2CC2)CCOCC1	ZINC000599258002	430529597	/nfs/dbraw/zinc/52/95/97/430529597.db2.gz	BZJMZBUOAIZITL-HNNXBMFYSA-N	0	3	320.458	2.784	20	30		DFEDHN
C[C@H](Nc1cc(C#N)nc(C2CC2)n1)[C@@H](c1ccccc1)N(C)C	ZINC000601156340	430538087	/nfs/dbraw/zinc/53/80/87/430538087.db2.gz	PIMAKUHUTTUEQY-UGSOOPFHSA-N	0	3	321.428	3.329	20	30		DFEDHN
COc1ccc(C[C@H](C)NC[C@H](C#N)CCC#N)cc1OC	ZINC000570509631	430550048	/nfs/dbraw/zinc/55/00/48/430550048.db2.gz	IEWAQKPCYISCIA-ZFWWWQNUSA-N	0	3	301.390	2.668	20	30		DFEDHN
Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1C#N	ZINC000570859752	430583299	/nfs/dbraw/zinc/58/32/99/430583299.db2.gz	GGCASYORZWPDFO-ZWNOBZJWSA-N	0	3	306.435	2.778	20	30		DFEDHN
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ncc[nH]1	ZINC000552067045	430583532	/nfs/dbraw/zinc/58/35/32/430583532.db2.gz	ZIMGWTWRQCAGCH-LRVUVFPRSA-N	0	3	311.389	2.717	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000275848365	277907915	/nfs/dbraw/zinc/90/79/15/277907915.db2.gz	VWSQBIXIWHRJTJ-HKUYNNGSSA-N	0	3	318.461	2.943	20	30		DFEDHN
CC(C)COC[C@@H](O)CN[C@H]1CCCc2cc(C#N)ccc21	ZINC000552969731	430604979	/nfs/dbraw/zinc/60/49/79/430604979.db2.gz	WROSIDKVJUGHFR-WMZOPIPTSA-N	0	3	302.418	2.559	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C2CC2)C1)C(C)C	ZINC000643633146	430620119	/nfs/dbraw/zinc/62/01/19/430620119.db2.gz	LOFBNCUOEUGIJB-KRWDZBQOSA-N	0	3	305.466	2.736	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1	ZINC000571607509	430639122	/nfs/dbraw/zinc/63/91/22/430639122.db2.gz	NNPCUSCPFQCHOM-SQNIBIBYSA-N	0	3	311.429	2.502	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@@H](c3cccs3)C3CC3)cnc12	ZINC000555553335	430670471	/nfs/dbraw/zinc/67/04/71/430670471.db2.gz	GTNDHSYBDSOLSB-OAHLLOKOSA-N	0	3	309.398	2.903	20	30		DFEDHN
CO[C@](C)([C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1	ZINC000572164904	430674863	/nfs/dbraw/zinc/67/48/63/430674863.db2.gz	DCVPWVYYZVTKHC-BDJLRTHQSA-N	0	3	303.362	2.760	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1N1CCCC1	ZINC000275434498	278156894	/nfs/dbraw/zinc/15/68/94/278156894.db2.gz	JFYRGWYXEVBTBU-HZPDHXFCSA-N	0	3	305.422	2.713	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1	ZINC000648198802	430708369	/nfs/dbraw/zinc/70/83/69/430708369.db2.gz	FHEUEJJQSDNXOH-LJQANCHMSA-N	0	3	322.408	2.950	20	30		DFEDHN
C=CCOc1ccc(CNCCc2cncc(C)n2)cc1OC	ZINC000657709643	430713156	/nfs/dbraw/zinc/71/31/56/430713156.db2.gz	FFFMAMISEVDWEZ-UHFFFAOYSA-N	0	3	313.401	2.691	20	30		DFEDHN
C=CCC1(NC(=O)NCCCN2CCCO[C@H](C)C2)CCCC1	ZINC000664756065	430738160	/nfs/dbraw/zinc/73/81/60/430738160.db2.gz	CLADGDACXAFYBC-MRXNPFEDSA-N	0	3	323.481	2.675	20	30		DFEDHN
C[C@H]1COCC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1	ZINC000277268224	278460865	/nfs/dbraw/zinc/46/08/65/278460865.db2.gz	AHLYIPLABZARTE-SWLSCSKDSA-N	0	3	313.319	2.951	20	30		DFEDHN
C=CCN1CCC(NC(=O)COC[C@@H](C)c2ccccc2)CC1	ZINC000651273343	430755216	/nfs/dbraw/zinc/75/52/16/430755216.db2.gz	KAQUPOAOQWVROY-MRXNPFEDSA-N	0	3	316.445	2.573	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc3c2O[C@H](C)C3)nc(C)n1	ZINC000651596180	430826665	/nfs/dbraw/zinc/82/66/65/430826665.db2.gz	LQIULGDCELZFJV-ABAIWWIYSA-N	0	3	307.353	2.907	20	30		DFEDHN
C=CCN(CC(=O)N(C)Cc1cccc(OC)c1)C(C)(C)C	ZINC000661755323	430831247	/nfs/dbraw/zinc/83/12/47/430831247.db2.gz	OKLLDLMKTUFYFJ-UHFFFAOYSA-N	0	3	304.434	2.940	20	30		DFEDHN
C=CCN(CC(=O)N(C)Cc1ccc(OC)cc1)C(C)(C)C	ZINC000661755669	430831653	/nfs/dbraw/zinc/83/16/53/430831653.db2.gz	XMBOTBJFGZSCOD-UHFFFAOYSA-N	0	3	304.434	2.940	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21	ZINC000665389723	430918544	/nfs/dbraw/zinc/91/85/44/430918544.db2.gz	OGJZCHJWQXOWST-LTIDMASMSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=CCC1(NC(=O)Nc2ccccc2CNC)CCOCC1	ZINC000659018400	430941943	/nfs/dbraw/zinc/94/19/43/430941943.db2.gz	GFYIFAOYQAUICB-UHFFFAOYSA-N	0	3	303.406	2.653	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1	ZINC000652188976	430981009	/nfs/dbraw/zinc/98/10/09/430981009.db2.gz	ZETWCTDTLQUXHD-KBPBESRZSA-N	0	3	309.406	2.690	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOc1ccc(F)cc1	ZINC000662084800	430953753	/nfs/dbraw/zinc/95/37/53/430953753.db2.gz	WTVJGSRQGZVKIY-IYBDPMFKSA-N	0	3	318.392	2.504	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@H]2CCN(CCC)C2)c1	ZINC000665847264	431049912	/nfs/dbraw/zinc/04/99/12/431049912.db2.gz	NBDVDBUVFARKQS-HNNXBMFYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)NCCCNCc1cccnc1	ZINC000659514724	431075345	/nfs/dbraw/zinc/07/53/45/431075345.db2.gz	NRXWBANVEBFIHD-UHFFFAOYSA-N	0	3	304.438	2.605	20	30		DFEDHN
C=CC[C@@H]1CCCN(C(=O)NCCCNCc2cccnc2)C1	ZINC000659512439	431075592	/nfs/dbraw/zinc/07/55/92/431075592.db2.gz	BRNVTUXZXIWZDL-MRXNPFEDSA-N	0	3	316.449	2.559	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CCN(C)C)c1	ZINC000666239358	431162624	/nfs/dbraw/zinc/16/26/24/431162624.db2.gz	YIHUTCFSNBJUKA-ZBFHGGJFSA-N	0	3	319.453	2.701	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)CCN2CCCCC2)cc1	ZINC000652987920	431214886	/nfs/dbraw/zinc/21/48/86/431214886.db2.gz	CFTTXJAPCDXAIZ-UHFFFAOYSA-N	0	3	302.418	2.809	20	30		DFEDHN
C=CC[C@H]1N(C(=O)N[C@@H](CN)C(F)(F)F)CCCC1(C)C	ZINC000655926249	431219920	/nfs/dbraw/zinc/21/99/20/431219920.db2.gz	DTJXALXQONIOFK-WDEREUQCSA-N	0	3	307.360	2.652	20	30		DFEDHN
C=CCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649750240	431274959	/nfs/dbraw/zinc/27/49/59/431274959.db2.gz	IKXUHOLREZOKFG-RBUKOAKNSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCCOCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000647019183	431447632	/nfs/dbraw/zinc/44/76/32/431447632.db2.gz	AYXIENTYMKRGDP-UHFFFAOYSA-N	0	3	302.296	2.695	20	30		DFEDHN
C=CCCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000660512638	431469757	/nfs/dbraw/zinc/46/97/57/431469757.db2.gz	BSFJCONRKJAWNB-AWEZNQCLSA-N	0	3	307.463	2.835	20	30		DFEDHN
CC(=O)c1ccccc1NC(=O)CCCN[C@H]1CCC[C@H]1C#N	ZINC000653669894	431482810	/nfs/dbraw/zinc/48/28/10/431482810.db2.gz	QMFFGOWOEXEONN-HOCLYGCPSA-N	0	3	313.401	2.890	20	30		DFEDHN
C=CCCn1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)nn1	ZINC000653669382	431483096	/nfs/dbraw/zinc/48/30/96/431483096.db2.gz	SPROCPMDTLXVKE-RCCFBDPRSA-N	0	3	318.465	2.760	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000660598416	431509604	/nfs/dbraw/zinc/50/96/04/431509604.db2.gz	YRSKDYQZLVJJSF-ZDUSSCGKSA-N	0	3	315.408	2.617	20	30		DFEDHN
C=C(C)CN1CCC(N[C@H](C)c2cc3n(n2)CCCC3)CC1	ZINC000647288245	431540129	/nfs/dbraw/zinc/54/01/29/431540129.db2.gz	VKYBUJZGRULWPC-OAHLLOKOSA-N	0	3	302.466	2.911	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000660887510	431643886	/nfs/dbraw/zinc/64/38/86/431643886.db2.gz	KNTCZPXHYAYRQB-HDEZJCGLSA-N	0	3	305.466	2.903	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1nc(C2CC2)no1	ZINC000661114429	431737334	/nfs/dbraw/zinc/73/73/34/431737334.db2.gz	HDZCXPYJZXNJDF-AAEUAGOBSA-N	0	3	304.394	2.610	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1cc(=O)n2ccsc2n1	ZINC000661117380	431738894	/nfs/dbraw/zinc/73/88/94/431738894.db2.gz	QLJVPROEBHAPBK-OCCSQVGLSA-N	0	3	303.431	2.981	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NCc1csc(CC(=O)N(C)C)n1	ZINC000661116688	431738937	/nfs/dbraw/zinc/73/89/37/431738937.db2.gz	KXWQBAQHXKRNSN-UKRRQHHQSA-N	0	3	321.490	2.998	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NCc1csc(CC(=O)N(C)C)n1	ZINC000661116689	431739952	/nfs/dbraw/zinc/73/99/52/431739952.db2.gz	KXWQBAQHXKRNSN-ZFWWWQNUSA-N	0	3	321.490	2.998	20	30		DFEDHN
COC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCOCC1	ZINC000661158233	431755508	/nfs/dbraw/zinc/75/55/08/431755508.db2.gz	MRFJSVIYPOSAEU-KRWDZBQOSA-N	0	3	307.821	2.723	20	30		DFEDHN
COC[C@H](NCC#Cc1cccc(Cl)c1)C1CCOCC1	ZINC000661157805	431756907	/nfs/dbraw/zinc/75/69/07/431756907.db2.gz	IVMLVUONOZUJBG-KRWDZBQOSA-N	0	3	307.821	2.723	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)nn1C	ZINC000657455134	431763165	/nfs/dbraw/zinc/76/31/65/431763165.db2.gz	PZHSSTHZJKCATF-GWCFXTLKSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccc(Cl)cc1)[C@H](C)COC	ZINC000661247251	431796430	/nfs/dbraw/zinc/79/64/30/431796430.db2.gz	MNXRWDILANNWNN-UKRRQHHQSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(O[C@H](C)COC)cc1	ZINC000657484453	431780973	/nfs/dbraw/zinc/78/09/73/431780973.db2.gz	ZDFKIAIPRQBSQD-OLMNPRSZSA-N	0	3	305.418	2.924	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC#Cc2ccc(Cl)cc2)C1	ZINC000661222756	431783721	/nfs/dbraw/zinc/78/37/21/431783721.db2.gz	WNQRWYZCSGAHKN-KBAYOESNSA-N	0	3	321.848	2.847	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)NCC#Cc2ccccc2Cl)C1	ZINC000661219088	431784104	/nfs/dbraw/zinc/78/41/04/431784104.db2.gz	MXGNCJRJDBUFIH-LZLYRXPVSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](C)C2(CO)CC2)ccc1OC	ZINC000657603575	431822685	/nfs/dbraw/zinc/82/26/85/431822685.db2.gz	PIRWTGVFXNEECR-CQSZACIVSA-N	0	3	305.418	2.901	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000661326036	431823640	/nfs/dbraw/zinc/82/36/40/431823640.db2.gz	OOSUDNMJIDCSGF-MSOLQXFVSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CC[C@H]1CCCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000661379259	431837337	/nfs/dbraw/zinc/83/73/37/431837337.db2.gz	WTSULNZFBBMCJE-FUHWJXTLSA-N	0	3	317.429	2.917	20	30		DFEDHN
C=CC[C@@H]1CCCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000661383068	431839033	/nfs/dbraw/zinc/83/90/33/431839033.db2.gz	YNBAVUSMKZPSME-OAHLLOKOSA-N	0	3	322.474	2.725	20	30		DFEDHN
C[C@@H]1CN(c2snc(Cl)c2C#N)CCN(C2CCC2)C1	ZINC000292280916	288288713	/nfs/dbraw/zinc/28/87/13/288288713.db2.gz	MIWFFLYCHFSJGV-JTQLQIEISA-N	0	3	310.854	2.979	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C#N)[nH]1)N(C)C	ZINC000357869729	281389027	/nfs/dbraw/zinc/38/90/27/281389027.db2.gz	MRNIMRVNDSLNPD-GUYCJALGSA-N	0	3	310.401	2.616	20	30		DFEDHN
C[C@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1cccc(C#N)c1	ZINC000362118666	297988007	/nfs/dbraw/zinc/98/80/07/297988007.db2.gz	OYQLFFXXYYASGE-GJZGRUSLSA-N	0	3	313.445	2.850	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC(=O)N(c3ccccc3)C1)CC2	ZINC000516896118	300366884	/nfs/dbraw/zinc/36/68/84/300366884.db2.gz	AWYPXRLTHMXREU-APWZRJJASA-N	0	3	317.392	2.941	20	30		DFEDHN
N#Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1Cl	ZINC000537583012	301303741	/nfs/dbraw/zinc/30/37/41/301303741.db2.gz	ZPNVJOIOARYALP-CQSZACIVSA-N	0	3	303.793	2.522	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000537587898	301304239	/nfs/dbraw/zinc/30/42/39/301304239.db2.gz	YCCRNDYYJCEVPN-CQSZACIVSA-N	0	3	307.825	2.918	20	30		DFEDHN
COc1ccc(CNCc2cnc3ccc(C#N)cn23)c(C)c1	ZINC000539526368	301343848	/nfs/dbraw/zinc/34/38/48/301343848.db2.gz	XFORTLDBMJSLBS-UHFFFAOYSA-N	0	3	306.369	2.813	20	30		DFEDHN
Cc1cc(NCC2CCN(c3ccncc3)CC2)cc(C#N)n1	ZINC000553516866	301714757	/nfs/dbraw/zinc/71/47/57/301714757.db2.gz	SXCRESHMLRHBAE-UHFFFAOYSA-N	0	3	307.401	2.985	20	30		DFEDHN
N#Cc1cccnc1OC1CCC(N[C@@H]2CCn3ccnc32)CC1	ZINC000560355620	301891411	/nfs/dbraw/zinc/89/14/11/301891411.db2.gz	GVQSIRYQDNDMOX-UYSNPLJNSA-N	0	3	323.400	2.574	20	30		DFEDHN
Cc1noc(C2CCC(NCc3nc(C#N)cs3)CC2)n1	ZINC000564131871	302120187	/nfs/dbraw/zinc/12/01/87/302120187.db2.gz	KGQMOLDEGOUJAI-UHFFFAOYSA-N	0	3	303.391	2.522	20	30		DFEDHN
Cc1ccc([C@@H]2CCCN2C[C@H]2CNc3c(C#N)cnn3C2)o1	ZINC000564452370	302135808	/nfs/dbraw/zinc/13/58/08/302135808.db2.gz	BIKNYICLFNNUSR-HIFRSBDPSA-N	0	3	311.389	2.535	20	30		DFEDHN
C[C@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1cc2ccccc2o1	ZINC000564571671	302142003	/nfs/dbraw/zinc/14/20/03/302142003.db2.gz	OGWOGCBVEKOXGI-QWHCGFSZSA-N	0	3	321.384	2.893	20	30		DFEDHN
N#Cc1cnn2cc(CNC[C@H]3CCCCC3(F)F)cnc12	ZINC000564987011	302179645	/nfs/dbraw/zinc/17/96/45/302179645.db2.gz	XOIVZWWRXOFNTR-CYBMUJFWSA-N	0	3	305.332	2.516	20	30		DFEDHN
CN(Cc1ccccc1Cl)C[C@@H]1CNc2c(C#N)cnn2C1	ZINC000565302701	302216973	/nfs/dbraw/zinc/21/69/73/302216973.db2.gz	DPFSDXHREVLXQU-LBPRGKRZSA-N	0	3	315.808	2.582	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@@H]2C[C@H]2C2CCCCC2)C(N)=O)cc1	ZINC000565412370	302223763	/nfs/dbraw/zinc/22/37/63/302223763.db2.gz	JQPDWHKUPROUEC-BZSNNMDCSA-N	0	3	311.429	2.891	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2cccc(C(F)F)c2C#N)CC1	ZINC000565433721	302225762	/nfs/dbraw/zinc/22/57/62/302225762.db2.gz	QIZZHMPSIJNOOE-ZDUSSCGKSA-N	0	3	322.403	2.934	20	30		DFEDHN
Cc1csc(NC(=O)NCCN2CCCC[C@H]2C)c1C#N	ZINC000567911167	302398600	/nfs/dbraw/zinc/39/86/00/302398600.db2.gz	NVEAXKSYKKXGNS-GFCCVEGCSA-N	0	3	306.435	2.924	20	30		DFEDHN
Cc1cc(NC[C@H](c2cccs2)N2CCCC2)c(C#N)cn1	ZINC000569716588	302534715	/nfs/dbraw/zinc/53/47/15/302534715.db2.gz	CIUZKIXIOQFJKK-MRXNPFEDSA-N	0	3	312.442	2.994	20	30		DFEDHN
C[C@@H](NC(=O)Nc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C	ZINC000573562784	302710291	/nfs/dbraw/zinc/71/02/91/302710291.db2.gz	ZBGWKMCPCMUNOH-CXAGYDPISA-N	0	3	323.400	2.766	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@@H](O)COCC(F)(F)F	ZINC000292610285	335092090	/nfs/dbraw/zinc/09/20/90/335092090.db2.gz	MAMRFXRUCBQTBN-OAHLLOKOSA-N	0	3	317.351	2.657	20	30		DFEDHN
CCC(CC)[C@H](CNCc1cc(C#N)cs1)N1CCOCC1	ZINC000177684158	315984856	/nfs/dbraw/zinc/98/48/56/315984856.db2.gz	ADAKCKJAMFURQV-KRWDZBQOSA-N	0	3	321.490	2.846	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1	ZINC000181412013	316058340	/nfs/dbraw/zinc/05/83/40/316058340.db2.gz	YWZHXPCWPREPDF-YJBOKZPZSA-N	0	3	301.434	2.566	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1sccc1C#N)c1cncc(F)c1	ZINC000574656650	318032321	/nfs/dbraw/zinc/03/23/21/318032321.db2.gz	VSHQWWABTGDXQL-JTQLQIEISA-N	0	3	318.377	2.833	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574984105	318054690	/nfs/dbraw/zinc/05/46/90/318054690.db2.gz	FLPGQLMIUFJVEQ-CRAIPNDOSA-N	0	3	321.428	2.838	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574984107	318054797	/nfs/dbraw/zinc/05/47/97/318054797.db2.gz	FLPGQLMIUFJVEQ-QAPCUYQASA-N	0	3	321.428	2.838	20	30		DFEDHN
Cc1cc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)ccc1C#N	ZINC000574993631	318055970	/nfs/dbraw/zinc/05/59/70/318055970.db2.gz	GDHSVMMTPHAIQM-QGZVFWFLSA-N	0	3	311.429	2.890	20	30		DFEDHN
Cc1ccccc1C[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1	ZINC000575060179	318060148	/nfs/dbraw/zinc/06/01/48/318060148.db2.gz	ZWMOLYFCMWSNIH-HNNXBMFYSA-N	0	3	319.412	2.972	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@H](c2cccnc2)C1	ZINC000575284479	318072372	/nfs/dbraw/zinc/07/23/72/318072372.db2.gz	PTAPDMNABMMGHB-KRWDZBQOSA-N	0	3	320.396	2.771	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577117073	318172234	/nfs/dbraw/zinc/17/22/34/318172234.db2.gz	JAAYMNZYDJNPJP-CJNGLKHVSA-N	0	3	314.389	2.525	20	30		DFEDHN
Cc1cc(C)c(CCNCc2cnc3c(C#N)cnn3c2)c(C)c1	ZINC000578225197	318246417	/nfs/dbraw/zinc/24/64/17/318246417.db2.gz	OESGPJSYZUUZTO-UHFFFAOYSA-N	0	3	319.412	2.859	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)s1	ZINC000578619555	318273204	/nfs/dbraw/zinc/27/32/04/318273204.db2.gz	WDMWWNJRKKCYGU-ZDUSSCGKSA-N	0	3	306.818	2.966	20	30		DFEDHN
Cc1c(CNC[C@@H]2CNc3c(C#N)cnn3C2)oc2ccccc12	ZINC000578811382	318286551	/nfs/dbraw/zinc/28/65/51/318286551.db2.gz	URBPXPDFFWHHSQ-CYBMUJFWSA-N	0	3	321.384	2.641	20	30		DFEDHN
CC[C@@H]1CN(C)CCN1Cc1ccc(Br)cc1C#N	ZINC000578998833	318300671	/nfs/dbraw/zinc/30/06/71/318300671.db2.gz	IADBRUXELUYSLR-OAHLLOKOSA-N	0	3	322.250	2.847	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H]1CCCN(C)C1	ZINC000579466211	318332142	/nfs/dbraw/zinc/33/21/42/318332142.db2.gz	ZPZHLWWVBDLZRV-GOEBONIOSA-N	0	3	314.433	2.602	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCn3ccnc3C2)c(C(F)(F)F)c1	ZINC000580131934	318377313	/nfs/dbraw/zinc/37/73/13/318377313.db2.gz	KIDHYBDHLSOPBG-CYBMUJFWSA-N	0	3	320.318	2.878	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c(C)c1	ZINC000390308282	323341726	/nfs/dbraw/zinc/34/17/26/323341726.db2.gz	MUOJZJOULQUDHU-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ncn1	ZINC000398056584	323356114	/nfs/dbraw/zinc/35/61/14/323356114.db2.gz	ZTLFXTBSTVMZBT-KRWDZBQOSA-N	0	3	309.417	2.917	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@@H]2C(F)F)cc1Cl	ZINC000518375260	332020830	/nfs/dbraw/zinc/02/08/30/332020830.db2.gz	OJVOWZGPIMVNPH-CYBMUJFWSA-N	0	3	316.779	2.944	20	30		DFEDHN
C=CCOc1ccc(CN2CCNC[C@H]2C(F)F)cc1Cl	ZINC000518375261	332020862	/nfs/dbraw/zinc/02/08/62/332020862.db2.gz	OJVOWZGPIMVNPH-ZDUSSCGKSA-N	0	3	316.779	2.944	20	30		DFEDHN
C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000132417355	332129871	/nfs/dbraw/zinc/12/98/71/332129871.db2.gz	FPXVOBSTCXYQER-UONOGXRCSA-N	0	3	321.465	2.653	20	30		DFEDHN
C[C@@H]1C[C@@H](c2ccccc2F)N(CCC(=O)N(C)CCC#N)C1	ZINC000092798054	332130856	/nfs/dbraw/zinc/13/08/56/332130856.db2.gz	JDGSFFOEAGURGX-PBHICJAKSA-N	0	3	317.408	2.971	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](N)c1ccccc1)C(C)C	ZINC000236666753	332201577	/nfs/dbraw/zinc/20/15/77/332201577.db2.gz	ROFPEHHTRIIFAM-ZWKOTPCHSA-N	0	3	315.461	2.501	20	30		DFEDHN
C#CCN(C)CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	ZINC000292844634	335096463	/nfs/dbraw/zinc/09/64/63/335096463.db2.gz	QUPNPXRIODYZSZ-UHFFFAOYSA-N	0	3	313.304	2.563	20	30		DFEDHN
N#CCCCCNC(=O)NC1CCN(Cc2cccs2)CC1	ZINC000363482126	332250754	/nfs/dbraw/zinc/25/07/54/332250754.db2.gz	XMXONIYRWHNILM-UHFFFAOYSA-N	0	3	320.462	2.706	20	30		DFEDHN
CN(CCCC#N)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000116403241	332338723	/nfs/dbraw/zinc/33/87/23/332338723.db2.gz	VACDSYKHPIEMMN-GFCCVEGCSA-N	0	3	316.323	2.681	20	30		DFEDHN
N#CC(C(=O)c1ccccc1N1CCCCC1)c1ccncn1	ZINC000560580058	332364264	/nfs/dbraw/zinc/36/42/64/332364264.db2.gz	SDTKQYQKSGLAGJ-HNNXBMFYSA-N	0	3	306.369	2.957	20	30		DFEDHN
C#CCNC(=O)CCN1CC[C@H](Sc2cccc(Cl)c2)C1	ZINC000293433189	335105827	/nfs/dbraw/zinc/10/58/27/335105827.db2.gz	BIOOHCPWEGKCOE-HNNXBMFYSA-N	0	3	322.861	2.646	20	30		DFEDHN
C#CCSCCNCc1c(Cl)cccc1N1CCOCC1	ZINC000293547587	335109149	/nfs/dbraw/zinc/10/91/49/335109149.db2.gz	KVDGEYLUWDTWNU-UHFFFAOYSA-N	0	3	324.877	2.633	20	30		DFEDHN
COc1ccc(N2CCN(CC(C)(C)CCC#N)CC2)nc1	ZINC000449768697	332521376	/nfs/dbraw/zinc/52/13/76/332521376.db2.gz	SUOBVKDGYOCVOM-UHFFFAOYSA-N	0	3	302.422	2.542	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCCCC#N	ZINC000170884844	333041892	/nfs/dbraw/zinc/04/18/92/333041892.db2.gz	UHCIHGLCUHRCGZ-UHFFFAOYSA-N	0	3	316.449	2.974	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2	ZINC000294073883	335119917	/nfs/dbraw/zinc/11/99/17/335119917.db2.gz	JIEKRYFLHUYABQ-IBGZPJMESA-N	0	3	314.429	2.809	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@H]2CC(=Nn3cnnc3)CC[C@H]21	ZINC000497148534	333087131	/nfs/dbraw/zinc/08/71/31/333087131.db2.gz	HVRLJMOKJZZZKS-GXTWGEPZSA-N	0	3	319.409	2.682	20	30		DFEDHN
Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](C#N)CCC#N	ZINC000580315989	333105023	/nfs/dbraw/zinc/10/50/23/333105023.db2.gz	PSLGHDCYVKKQCX-MRXNPFEDSA-N	0	3	311.433	2.602	20	30		DFEDHN
C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC2(CCC2)O1	ZINC000518774728	333114465	/nfs/dbraw/zinc/11/44/65/333114465.db2.gz	CSEKGAXENYPBIZ-DOTOQJQBSA-N	0	3	312.413	2.929	20	30		DFEDHN
N#CCc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000177309282	333126994	/nfs/dbraw/zinc/12/69/94/333126994.db2.gz	KQHPLBVGHJRXAZ-YQVWRLOYSA-N	0	3	323.440	2.699	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC(C)(C)c1cccc(Cl)c1	ZINC000179607299	333153235	/nfs/dbraw/zinc/15/32/35/333153235.db2.gz	LPXMHLHTCUYGJY-UHFFFAOYSA-N	0	3	307.825	2.927	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cc(F)c(C)cc2F)CC1	ZINC000294562943	335125957	/nfs/dbraw/zinc/12/59/57/335125957.db2.gz	JLQAYBNJOYQPBO-UHFFFAOYSA-N	0	3	308.372	2.582	20	30		DFEDHN
CN(C)C(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000183370654	333184376	/nfs/dbraw/zinc/18/43/76/333184376.db2.gz	PRDZGXNDSAELDV-KRWDZBQOSA-N	0	3	314.433	2.767	20	30		DFEDHN
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C1CC1	ZINC000184617783	333199268	/nfs/dbraw/zinc/19/92/68/333199268.db2.gz	JIFUKAPPTWACOQ-ZDUSSCGKSA-N	0	3	316.405	2.535	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1	ZINC000294797848	335127439	/nfs/dbraw/zinc/12/74/39/335127439.db2.gz	BOFWVPNRMABCRB-GDBMZVCRSA-N	0	3	314.429	2.535	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccccc2CN2CCOCC2)C1	ZINC000185760023	333213664	/nfs/dbraw/zinc/21/36/64/333213664.db2.gz	WMICFEHWTXWTBB-APWZRJJASA-N	0	3	313.445	2.691	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccccc2CN2CCCC2=O)C1	ZINC000185774764	333213738	/nfs/dbraw/zinc/21/37/38/333213738.db2.gz	VINNOEITJJKQNC-CRAIPNDOSA-N	0	3	311.429	2.981	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000185872932	333215257	/nfs/dbraw/zinc/21/52/57/333215257.db2.gz	YALZEXRHFZYUGP-SQWLQELKSA-N	0	3	315.392	2.993	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CC2(C(=O)OC)CC2)c([O-])c1	ZINC000185917880	333216100	/nfs/dbraw/zinc/21/61/00/333216100.db2.gz	KZMIJWUOPBCSEQ-WOJGMQOQSA-N	0	3	304.390	2.611	20	30		DFEDHN
CC(=O)NCc1ccc([C@@H]2CCCN2CCCSCC#N)o1	ZINC000364059306	333228927	/nfs/dbraw/zinc/22/89/27/333228927.db2.gz	WQMNNLIJIDYBQN-HNNXBMFYSA-N	0	3	321.446	2.699	20	30		DFEDHN
C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000497270346	333229511	/nfs/dbraw/zinc/22/95/11/333229511.db2.gz	UFHXRPCROAHXJM-RBSFLKMASA-N	0	3	320.437	2.808	20	30		DFEDHN
C[C@H](NCC1(C#N)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000497307401	333234464	/nfs/dbraw/zinc/23/44/64/333234464.db2.gz	VFDCOBAHSTXNMT-UONOGXRCSA-N	0	3	307.438	2.915	20	30		DFEDHN
C[C@@H](NCC1(C#N)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000497307404	333234574	/nfs/dbraw/zinc/23/45/74/333234574.db2.gz	VFDCOBAHSTXNMT-ZIAGYGMSSA-N	0	3	307.438	2.915	20	30		DFEDHN
N#CC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC1	ZINC000119432673	333251943	/nfs/dbraw/zinc/25/19/43/333251943.db2.gz	SRBVUDZYGRJJCK-KRWDZBQOSA-N	0	3	311.429	2.851	20	30		DFEDHN
C[C@@H](C#N)Oc1ccccc1NC(=O)C1CCN(C2CC2)CC1	ZINC000192816938	333293373	/nfs/dbraw/zinc/29/33/73/333293373.db2.gz	FQAJXSGJFQGDGE-ZDUSSCGKSA-N	0	3	313.401	2.790	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000111258086	333328348	/nfs/dbraw/zinc/32/83/48/333328348.db2.gz	UYUZXNCPGZXWFE-PBHICJAKSA-N	0	3	314.429	2.913	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1	ZINC000111260445	333328487	/nfs/dbraw/zinc/32/84/87/333328487.db2.gz	SZAZAKIQWASBDT-UHFFFAOYSA-N	0	3	320.408	2.691	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](CC)CC(F)(F)F)CC1	ZINC000354644977	333355468	/nfs/dbraw/zinc/35/54/68/333355468.db2.gz	CHVISSVFDCTBGY-NSHDSACASA-N	0	3	307.360	2.667	20	30		DFEDHN
C=CCOc1cccc(CN[C@@]2(CO)C[C@H](OCC)C2(C)C)c1	ZINC000186595670	333375037	/nfs/dbraw/zinc/37/50/37/333375037.db2.gz	OSQXMOCEPWQROI-PKOBYXMFSA-N	0	3	319.445	2.907	20	30		DFEDHN
C=CCCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000102218317	333386479	/nfs/dbraw/zinc/38/64/79/333386479.db2.gz	SAXJVVQVHFATCT-QGZVFWFLSA-N	0	3	302.418	2.915	20	30		DFEDHN
C#CCCCC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2	ZINC000365233590	333399551	/nfs/dbraw/zinc/39/95/51/333399551.db2.gz	VUDNFNBBCYJLJG-UHFFFAOYSA-N	0	3	314.429	2.558	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000365237459	333399834	/nfs/dbraw/zinc/39/98/34/333399834.db2.gz	KQSWDZDSCCIPON-HNNXBMFYSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1=O	ZINC000337173793	333440790	/nfs/dbraw/zinc/44/07/90/333440790.db2.gz	GNTZUFGTLBBIFE-SZMVWBNQSA-N	0	3	314.429	2.531	20	30		DFEDHN
N#CCSCCCN[C@@H](CO)c1cccc(Cl)c1F	ZINC000337232273	333444307	/nfs/dbraw/zinc/44/43/07/333444307.db2.gz	VMQCAOHONJVCCM-LBPRGKRZSA-N	0	3	302.802	2.749	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCC[C@@H]1OC(F)F	ZINC000337430505	333449024	/nfs/dbraw/zinc/44/90/24/333449024.db2.gz	UVWGVWSIOZJTIK-IHRRRGAJSA-N	0	3	318.408	2.940	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1	ZINC000488883106	333461003	/nfs/dbraw/zinc/46/10/03/333461003.db2.gz	RBNNTMFUPBRIMP-INIZCTEOSA-N	0	3	306.450	2.589	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCN(CC(C)C)CC1	ZINC000337833297	333461022	/nfs/dbraw/zinc/46/10/22/333461022.db2.gz	AUUXXPAKZAFMFX-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
C=C(C)[C@H](CC(=O)Nc1cccc(OCCN(C)C)c1)OCC	ZINC000339399492	333522936	/nfs/dbraw/zinc/52/29/36/333522936.db2.gz	HSVNAFRRYFSIOQ-KRWDZBQOSA-N	0	3	320.433	2.937	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(SC)cc1	ZINC000296928119	335150075	/nfs/dbraw/zinc/15/00/75/335150075.db2.gz	OOZSKIQEMHYOOR-CQSZACIVSA-N	0	3	319.474	2.724	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](c1ccccc1)N(C)C	ZINC000425781760	333650396	/nfs/dbraw/zinc/65/03/96/333650396.db2.gz	GHAHOAXQEOCYRD-WTTBNOFXSA-N	0	3	314.433	2.669	20	30		DFEDHN
C=CCSCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1	ZINC000185969163	335155557	/nfs/dbraw/zinc/15/55/57/335155557.db2.gz	NNVJINPMZKEVLJ-CQSZACIVSA-N	0	3	313.488	2.666	20	30		DFEDHN
C=CCN(C)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000186180881	335156771	/nfs/dbraw/zinc/15/67/71/335156771.db2.gz	LMXFRHCOKRZDEF-UHFFFAOYSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCC[C@H](CO)NC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412400573	333753126	/nfs/dbraw/zinc/75/31/26/333753126.db2.gz	KFFOTKNYGBDHOE-GOSISDBHSA-N	0	3	316.445	2.729	20	30		DFEDHN
C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(OCC#N)cc1	ZINC000270020203	334006391	/nfs/dbraw/zinc/00/63/91/334006391.db2.gz	ABCYOOATTPUUFK-CQSZACIVSA-N	0	3	310.401	2.901	20	30		DFEDHN
CN(CCNC(=O)c1ccc(CC#N)cc1)Cc1ccccc1	ZINC000270276467	334010116	/nfs/dbraw/zinc/01/01/16/334010116.db2.gz	LQPBMHLWZUWQBK-UHFFFAOYSA-N	0	3	307.397	2.614	20	30		DFEDHN
CCCCN(CCO)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000270986506	334017091	/nfs/dbraw/zinc/01/70/91/334017091.db2.gz	GBLHAPHNZPNDAU-UHFFFAOYSA-N	0	3	320.433	2.972	20	30		DFEDHN
C[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nncn1C	ZINC000271095023	334018465	/nfs/dbraw/zinc/01/84/65/334018465.db2.gz	YNXJKKMWTZKNBQ-NXVRBGIVSA-N	0	3	309.417	2.870	20	30		DFEDHN
C=CCOc1ccc(CNCC2(CS(C)(=O)=O)CCC2)cc1	ZINC000414562065	334019827	/nfs/dbraw/zinc/01/98/27/334019827.db2.gz	UICZLHGHGNEDJH-UHFFFAOYSA-N	0	3	323.458	2.556	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2)CC1	ZINC000271952757	334029077	/nfs/dbraw/zinc/02/90/77/334029077.db2.gz	DYNOPYOCFHNEDJ-GOSISDBHSA-N	0	3	323.440	2.942	20	30		DFEDHN
CN(C(=O)NCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000273331898	334045364	/nfs/dbraw/zinc/04/53/64/334045364.db2.gz	YTNAZVWZZURLPJ-QGZVFWFLSA-N	0	3	314.433	2.596	20	30		DFEDHN
N#C[C@@H](c1ccccc1)N1CCN(CCC2CCOCC2)CC1	ZINC000276495360	334080086	/nfs/dbraw/zinc/08/00/86/334080086.db2.gz	VWILLWXMSXLKEM-IBGZPJMESA-N	0	3	313.445	2.686	20	30		DFEDHN
C[C@H](CC#N)N(C)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000278636573	334098908	/nfs/dbraw/zinc/09/89/08/334098908.db2.gz	OQBYQKGKJPCXPY-SJLPKXTDSA-N	0	3	301.434	2.511	20	30		DFEDHN
N#CCSCCCN1CCC[C@@H](Oc2ncccc2F)C1	ZINC000278916479	334103502	/nfs/dbraw/zinc/10/35/02/334103502.db2.gz	UGBMZHXPXWWNIR-CYBMUJFWSA-N	0	3	309.410	2.711	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000279716310	334111448	/nfs/dbraw/zinc/11/14/48/334111448.db2.gz	AXGHXVKNGIQEJG-HNNXBMFYSA-N	0	3	313.445	2.902	20	30		DFEDHN
C[C@@H](CN1CCOCC1)N(C)Cc1ccccc1C(C)(C)C#N	ZINC000279741758	334111659	/nfs/dbraw/zinc/11/16/59/334111659.db2.gz	OXDCWCKZRZROHI-INIZCTEOSA-N	0	3	315.461	2.640	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CN1C1CC1	ZINC000279895680	334112671	/nfs/dbraw/zinc/11/26/71/334112671.db2.gz	MJUWUIIXBIUGFD-CJNGLKHVSA-N	0	3	311.429	2.843	20	30		DFEDHN
COc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1OCCCC#N	ZINC000280619468	334118670	/nfs/dbraw/zinc/11/86/70/334118670.db2.gz	ZPGUXGMQFWUAGX-KRWDZBQOSA-N	0	3	318.417	2.580	20	30		DFEDHN
CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(CC#N)cc1	ZINC000343612320	335177249	/nfs/dbraw/zinc/17/72/49/335177249.db2.gz	OJAXTYAGTJWQRT-OALUTQOASA-N	0	3	313.445	2.974	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/Cc2cc(C)nn2C)c([O-])c1	ZINC000283808087	334141511	/nfs/dbraw/zinc/14/15/11/334141511.db2.gz	CMGDZNDVVSYFBI-WOJGMQOQSA-N	0	3	300.406	2.899	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1	ZINC000285236302	334146441	/nfs/dbraw/zinc/14/64/41/334146441.db2.gz	VSYJVHBBEMHDDY-GOSISDBHSA-N	0	3	314.433	2.707	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2CCC)cc1	ZINC000343574412	335178702	/nfs/dbraw/zinc/17/87/02/335178702.db2.gz	QLKFNDVYUKKZBF-INIZCTEOSA-N	0	3	302.418	2.856	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccncc2OC[C@H]2CCOC2)C1	ZINC000287201146	334156707	/nfs/dbraw/zinc/15/67/07/334156707.db2.gz	DTZLSAANYYBOOW-HLLBOEOZSA-N	0	3	315.417	2.669	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)c1ccc(/C=N/OC)cc1	ZINC000287283582	334157142	/nfs/dbraw/zinc/15/71/42/334157142.db2.gz	KVCUOPRQJAXHJG-XDJHFCHBSA-N	0	3	317.433	2.615	20	30		DFEDHN
C[C@@H](NC(=O)N1CCC(C#N)CC1)[C@@H](c1ccccc1)N(C)C	ZINC000287712110	334158413	/nfs/dbraw/zinc/15/84/13/334158413.db2.gz	ASGGEBFZWAMVJC-PBHICJAKSA-N	0	3	314.433	2.623	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)cc(=O)[nH]1)C(C)C	ZINC000340303688	334163574	/nfs/dbraw/zinc/16/35/74/334163574.db2.gz	YNUIKPNWZWYSLG-INIZCTEOSA-N	0	3	317.433	2.524	20	30		DFEDHN
CSC1c2cc(-c3noc(CCCC#N)n3)ccc2NC1=O	ZINC000291060572	334176017	/nfs/dbraw/zinc/17/60/17/334176017.db2.gz	JYEFVNNPUZMFGV-CYBMUJFWSA-N	0	3	314.370	2.939	20	30		DFEDHN
CN(c1ccc(NC(=O)CCCC#N)cc1)C1CCN(C)CC1	ZINC000292363497	334187305	/nfs/dbraw/zinc/18/73/05/334187305.db2.gz	OXYNIJJNKKMPST-UHFFFAOYSA-N	0	3	314.433	2.849	20	30		DFEDHN
CN(CCOCCC#N)Cc1ccc(OC(F)(F)F)cc1	ZINC000293531081	334198611	/nfs/dbraw/zinc/19/86/11/334198611.db2.gz	PNMDVEQSYUMWSH-UHFFFAOYSA-N	0	3	302.296	2.947	20	30		DFEDHN
CC(C)OC(=O)C[C@@H](NCCOCCC#N)c1ccccc1	ZINC000294376421	334208699	/nfs/dbraw/zinc/20/86/99/334208699.db2.gz	BHLFRGJLFAQVNY-MRXNPFEDSA-N	0	3	304.390	2.589	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000294603626	334211336	/nfs/dbraw/zinc/21/13/36/334211336.db2.gz	NSARDUSIOWCUTH-RYUDHWBXSA-N	0	3	306.797	2.665	20	30		DFEDHN
CN(CCOCCC#N)CCOc1ccc(C(F)(F)F)cc1	ZINC000294665981	334212361	/nfs/dbraw/zinc/21/23/61/334212361.db2.gz	RMKGZJZGOKRARS-UHFFFAOYSA-N	0	3	316.323	2.946	20	30		DFEDHN
CC[C@H]1CN(CCOCCC#N)CCN1Cc1ccccc1	ZINC000294704110	334212614	/nfs/dbraw/zinc/21/26/14/334212614.db2.gz	USKOJGPZBJMHCR-SFHVURJKSA-N	0	3	301.434	2.513	20	30		DFEDHN
COc1cc(OC)c(CN[C@H]2CC[C@@H](CC#N)C2)c(OC)c1	ZINC000294987829	334215327	/nfs/dbraw/zinc/21/53/27/334215327.db2.gz	HFVGEKCEDLARMY-STQMWFEESA-N	0	3	304.390	2.884	20	30		DFEDHN
C=C[C@@H](CO)N[C@@H]1CCc2c1ccc(F)c2Br	ZINC000296133425	334230210	/nfs/dbraw/zinc/23/02/10/334230210.db2.gz	UQAPNOLRZMEFHV-QPUJVOFHSA-N	0	3	300.171	2.712	20	30		DFEDHN
Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@@H](C)CCC#N	ZINC000298346280	334247842	/nfs/dbraw/zinc/24/78/42/334247842.db2.gz	BQWWKLZSYZKLAV-QEJZJMRPSA-N	0	3	324.469	2.988	20	30		DFEDHN
CCCN(CCc1cccc(F)c1)[C@H](C)C(=O)N(C)CCC#N	ZINC000299218946	334253997	/nfs/dbraw/zinc/25/39/97/334253997.db2.gz	IEWYDHNCYCZWDQ-OAHLLOKOSA-N	0	3	319.424	2.841	20	30		DFEDHN
C[C@@H](C(=O)Nc1cccc(OCC#N)c1)N1[C@H](C)CC[C@@H]1C	ZINC000299660981	334257215	/nfs/dbraw/zinc/25/72/15/334257215.db2.gz	QHXAYVCIQRMINX-MJBXVCDLSA-N	0	3	301.390	2.789	20	30		DFEDHN
C[C@H](CCC#N)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1	ZINC000299733655	334257768	/nfs/dbraw/zinc/25/77/68/334257768.db2.gz	YVXBMRSYJUVVIU-ZIAGYGMSSA-N	0	3	315.417	2.687	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000119586585	334284865	/nfs/dbraw/zinc/28/48/65/334284865.db2.gz	JCCYQRJRQRNJAE-NUJGCVRESA-N	0	3	316.445	2.604	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000119727754	334285407	/nfs/dbraw/zinc/28/54/07/334285407.db2.gz	NJOJJKYJBZCRLQ-WMZOPIPTSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=CCN(C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000121374757	334354081	/nfs/dbraw/zinc/35/40/81/334354081.db2.gz	QRVVZMAODPBWAD-UHFFFAOYSA-N	0	3	312.797	2.804	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C(C)C)n[nH]1)C(C)C	ZINC000340863029	334391114	/nfs/dbraw/zinc/39/11/14/334391114.db2.gz	QEIXALUXYYPJPG-QGZVFWFLSA-N	0	3	318.465	2.962	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1cccs1)C1CC1	ZINC000341843271	334486764	/nfs/dbraw/zinc/48/67/64/334486764.db2.gz	MPJVURSCJIQTLB-HZPDHXFCSA-N	0	3	305.447	2.843	20	30		DFEDHN
COCC1(C#N)CCN(CCC(=O)Nc2ccccc2C)CC1	ZINC000341995745	334499311	/nfs/dbraw/zinc/49/93/11/334499311.db2.gz	RTFCFEZXTBXXLR-UHFFFAOYSA-N	0	3	315.417	2.576	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415959445	334631838	/nfs/dbraw/zinc/63/18/38/334631838.db2.gz	ZGLWESLMSJLUPH-NSHDSACASA-N	0	3	314.311	2.978	20	30		DFEDHN
C[C@H](C(=O)NCc1ncnn1C(C)(C)C)N1CCCCCC1	ZINC000328835137	334758993	/nfs/dbraw/zinc/75/89/93/334758993.db2.gz	SGDGYTWSLXPXLZ-CYBMUJFWSA-N	0	3	307.442	2.754	20	30		DFEDHN
CCc1c(C(=O)NC2CCN(CC)CC2)cnn1C(C)(C)C	ZINC000330530443	334790616	/nfs/dbraw/zinc/79/06/16/334790616.db2.gz	GHZGFJULFFFEGC-UHFFFAOYSA-N	0	3	306.454	2.989	20	30		DFEDHN
CCc1ccc(CC)c(NC(=O)NCC2(O)CCN(C)CC2)c1	ZINC000331251011	334851340	/nfs/dbraw/zinc/85/13/40/334851340.db2.gz	OXYZUSFLLZVHMR-UHFFFAOYSA-N	0	3	319.449	2.594	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C)(CC(C)C)CC1	ZINC000344021725	335209504	/nfs/dbraw/zinc/20/95/04/335209504.db2.gz	ZNEZGBCUXCROMY-CQSZACIVSA-N	0	3	309.454	2.535	20	30		DFEDHN
C=CCCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000344473609	335251642	/nfs/dbraw/zinc/25/16/42/335251642.db2.gz	FQOSOBWKIHMDDI-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCCC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1	ZINC000113236250	335268147	/nfs/dbraw/zinc/26/81/47/335268147.db2.gz	VWWHCVNSGGOERF-INIZCTEOSA-N	0	3	316.445	2.969	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1	ZINC000345109571	335298942	/nfs/dbraw/zinc/29/89/42/335298942.db2.gz	HDDLRDFEEUOYEZ-SNVBAGLBSA-N	0	3	312.200	2.802	20	30		DFEDHN
CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCC2)C1(C)C	ZINC000345133963	335304332	/nfs/dbraw/zinc/30/43/32/335304332.db2.gz	PDIZZTSLUVRDGI-RRFJBIMHSA-N	0	3	321.465	2.511	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)C(C)C#N)c1ccccc1Cl	ZINC000345661038	335344431	/nfs/dbraw/zinc/34/44/31/335344431.db2.gz	KADFWCOJFBCDBG-IUODEOHRSA-N	0	3	307.825	2.999	20	30		DFEDHN
CC(C)OCCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1	ZINC000345738156	335346752	/nfs/dbraw/zinc/34/67/52/335346752.db2.gz	GZJYYHPQAAKCGN-UHFFFAOYSA-N	0	3	323.481	2.570	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1	ZINC000345756769	335348309	/nfs/dbraw/zinc/34/83/09/335348309.db2.gz	IMZPOGOPEAKTGO-GFCCVEGCSA-N	0	3	306.793	2.664	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1	ZINC000345755679	335348475	/nfs/dbraw/zinc/34/84/75/335348475.db2.gz	FVTJDLAPHDWRRN-ZIAGYGMSSA-N	0	3	309.369	2.997	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCCc1ccccc1	ZINC000345764220	335349606	/nfs/dbraw/zinc/34/96/06/335349606.db2.gz	DNYYSRIKTGTQHO-MRXNPFEDSA-N	0	3	313.445	2.892	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C(=O)NC)cc1Cl	ZINC000345814157	335353031	/nfs/dbraw/zinc/35/30/31/335353031.db2.gz	GGBYANYTNAABAV-UKRRQHHQSA-N	0	3	322.836	2.909	20	30		DFEDHN
CCN(C)CCNC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000345866664	335356825	/nfs/dbraw/zinc/35/68/25/335356825.db2.gz	COMMWVPAYAVZDJ-UHFFFAOYSA-N	0	3	312.417	2.627	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1	ZINC000345966976	335364356	/nfs/dbraw/zinc/36/43/56/335364356.db2.gz	UKGDLEIXSPOZPD-WMLDXEAASA-N	0	3	317.433	2.533	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C	ZINC000346183431	335378642	/nfs/dbraw/zinc/37/86/42/335378642.db2.gz	NGWJHQDECGIXOL-WBVHZDCISA-N	0	3	302.418	2.976	20	30		DFEDHN
C[C@@H]1OCC[C@@H]1NC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000328611081	335391833	/nfs/dbraw/zinc/39/18/33/335391833.db2.gz	OEWCDWIQJGOVTN-HOTGVXAUSA-N	0	3	323.481	2.714	20	30		DFEDHN
CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(OC)cc1	ZINC000346514575	335414639	/nfs/dbraw/zinc/41/46/39/335414639.db2.gz	BKMZDPIASWICTQ-CJNGLKHVSA-N	0	3	315.417	2.687	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccon1)C(C)C	ZINC000347789848	335525406	/nfs/dbraw/zinc/52/54/06/335525406.db2.gz	DQBSWLVFSPOZHA-HOCLYGCPSA-N	0	3	320.437	2.733	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1	ZINC000348128206	335550460	/nfs/dbraw/zinc/55/04/60/335550460.db2.gz	XJZRQMKIUBOUIG-GVDBMIGSSA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)CN([C@@H](C)CC)C1=O)C(C)C	ZINC000348479322	335589259	/nfs/dbraw/zinc/58/92/59/335589259.db2.gz	PLRBPXFVQLFGJJ-JKSUJKDBSA-N	0	3	321.465	2.748	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000348855947	335614027	/nfs/dbraw/zinc/61/40/27/335614027.db2.gz	AZEQQGXSKJVRDC-DLBZAZTESA-N	0	3	303.450	2.813	20	30		DFEDHN
CC(C)C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1	ZINC000329432690	335975984	/nfs/dbraw/zinc/97/59/84/335975984.db2.gz	IDWSSEWGFAQAEX-NVXWUHKLSA-N	0	3	323.481	2.711	20	30		DFEDHN
C=C(C)CN(C)C[C@@H](O)COc1ccc(/C=C\C)cc1OC	ZINC000351060885	336009828	/nfs/dbraw/zinc/00/98/28/336009828.db2.gz	FOYMETJYKCUUQU-MWWKQMNYSA-N	0	3	305.418	2.976	20	30		DFEDHN
C[C@H](NC(=O)CN1CC[C@H](C(C)(C)C)C1)C(=O)N1CCCCC1	ZINC000329630594	336020256	/nfs/dbraw/zinc/02/02/56/336020256.db2.gz	HZMXTNMARRSYRE-GJZGRUSLSA-N	0	3	323.481	2.712	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000351220015	336023173	/nfs/dbraw/zinc/02/31/73/336023173.db2.gz	CKRXVRZUEOCVCS-VXGBXAGGSA-N	0	3	317.355	2.935	20	30		DFEDHN
C[C@@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CCOC1	ZINC000329675995	336037339	/nfs/dbraw/zinc/03/73/39/336037339.db2.gz	PHRDPNNZDPMIJA-QGZVFWFLSA-N	0	3	303.406	2.681	20	30		DFEDHN
C[C@@H](NC(=O)NCCOC1CCCCCC1)C1=CCN(C)CC1	ZINC000329712872	336066809	/nfs/dbraw/zinc/06/68/09/336066809.db2.gz	QRBGIEYDKBIJGE-OAHLLOKOSA-N	0	3	323.481	2.880	20	30		DFEDHN
C[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C1CC1)N1CCC(C)CC1	ZINC000329751323	336077919	/nfs/dbraw/zinc/07/79/19/336077919.db2.gz	IUOPPOHWFXMFBO-QGPMSJSTSA-N	0	3	323.481	2.568	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCc2ccccc2C1	ZINC000329750591	336077939	/nfs/dbraw/zinc/07/79/39/336077939.db2.gz	VCJDMUODVPDZBX-OAHLLOKOSA-N	0	3	310.401	2.629	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCc2ccccc2C1	ZINC000329750591	336077940	/nfs/dbraw/zinc/07/79/40/336077940.db2.gz	VCJDMUODVPDZBX-OAHLLOKOSA-N	0	3	310.401	2.629	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000329820637	336086137	/nfs/dbraw/zinc/08/61/37/336086137.db2.gz	YHYIUHYTWWLHLK-ZIBATOQPSA-N	0	3	304.438	2.580	20	30		DFEDHN
CCN1CCC(NC(=O)c2nnn(CC3CCCC3)c2C)CC1	ZINC000329829659	336087253	/nfs/dbraw/zinc/08/72/53/336087253.db2.gz	DUOQOSBXBNKERX-UHFFFAOYSA-N	0	3	319.453	2.566	20	30		DFEDHN
CC[C@@H]1CC[C@@H](C(=O)NCC2(N3CCCCC3)CCOCC2)O1	ZINC000329848336	336089021	/nfs/dbraw/zinc/08/90/21/336089021.db2.gz	YZHNKNCKCLMDMX-CVEARBPZSA-N	0	3	324.465	2.936	20	30		DFEDHN
O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CCC(=O)c2cccn21	ZINC000329879401	336091628	/nfs/dbraw/zinc/09/16/28/336091628.db2.gz	MEQKYWWCGHHDLH-UMVBOHGHSA-N	0	3	301.390	2.589	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000329923800	336095828	/nfs/dbraw/zinc/09/58/28/336095828.db2.gz	URJWYWLYCNBBJZ-IPYPFGDCSA-N	0	3	301.365	2.603	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000329943594	336097964	/nfs/dbraw/zinc/09/79/64/336097964.db2.gz	HVAZGJVLOKABAA-JKSUJKDBSA-N	0	3	321.465	2.751	20	30		DFEDHN
O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCCc2n[nH]cc21	ZINC000329948691	336098478	/nfs/dbraw/zinc/09/84/78/336098478.db2.gz	KXSFYVIAXGNNFV-KBPBESRZSA-N	0	3	302.422	2.803	20	30		DFEDHN
[O-]C(NC[C@H]1CCc2nccn2C1)=[NH+]C1CCC2(CC2)CC1	ZINC000329959231	336099956	/nfs/dbraw/zinc/09/99/56/336099956.db2.gz	QNBBPQFRAGFLIO-CYBMUJFWSA-N	0	3	302.422	2.672	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1cc2nccnc2cc1F	ZINC000329967314	336101113	/nfs/dbraw/zinc/10/11/13/336101113.db2.gz	WBSQXBMIPZXMMV-GFCCVEGCSA-N	0	3	316.380	2.948	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)CC1	ZINC000330044412	336108931	/nfs/dbraw/zinc/10/89/31/336108931.db2.gz	FSXIJVWSJDXDIW-CVEARBPZSA-N	0	3	311.470	2.568	20	30		DFEDHN
CC(C)N1CCN(c2cccc(NC(=O)C3(O)CCC3)c2)CC1	ZINC000330093480	336112964	/nfs/dbraw/zinc/11/29/64/336112964.db2.gz	RPQRGTMIRDORPC-UHFFFAOYSA-N	0	3	317.433	2.720	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Cn1cc2ccccc2n1	ZINC000330116526	336114700	/nfs/dbraw/zinc/11/47/00/336114700.db2.gz	VOZOLRYLHSHKMN-AWEZNQCLSA-N	0	3	300.406	2.867	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)CN[C@@H]1CCCO[C@H]1CC(C)C	ZINC000330157541	336119074	/nfs/dbraw/zinc/11/90/74/336119074.db2.gz	PQQLAMHEXWDNIV-CABCVRRESA-N	0	3	322.453	2.808	20	30		DFEDHN
Cc1nc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)sc1C	ZINC000330211669	336124736	/nfs/dbraw/zinc/12/47/36/336124736.db2.gz	DDSBTVJWCVOGEQ-XDTLVQLUSA-N	0	3	309.435	2.894	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cn1	ZINC000330272333	336132130	/nfs/dbraw/zinc/13/21/30/336132130.db2.gz	XMJCNVRTKQTEAG-BHYNMZESSA-N	0	3	309.797	2.869	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000331750399	336147075	/nfs/dbraw/zinc/14/70/75/336147075.db2.gz	GDFWHLLRIQEBIJ-DOMZBBRYSA-N	0	3	311.385	2.916	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1	ZINC000352004299	336188030	/nfs/dbraw/zinc/18/80/30/336188030.db2.gz	OQOXWOGVPLFEOL-UHFFFAOYSA-N	0	3	314.429	2.952	20	30		DFEDHN
N#C[C@@]1(C(=O)NC[C@H]2CCCCN2C2CC2)CC12CCCC2	ZINC000333404372	336203176	/nfs/dbraw/zinc/20/31/76/336203176.db2.gz	JDPVRQIGLKAMFF-CRAIPNDOSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000333520915	336205105	/nfs/dbraw/zinc/20/51/05/336205105.db2.gz	GYQKCJYDHDFWEG-QAPCUYQASA-N	0	3	303.450	2.841	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](Oc2ccccc2)C1(C)C	ZINC000352270312	336209149	/nfs/dbraw/zinc/20/91/49/336209149.db2.gz	FFHIUEZUHDMDPN-BPUTZDHNSA-N	0	3	302.418	2.513	20	30		DFEDHN
N#CC(C(=O)Nc1ccccc1C(F)(F)F)c1ccncn1	ZINC000352312701	336211924	/nfs/dbraw/zinc/21/19/24/336211924.db2.gz	IWDBWGWNVGMKEU-VIFPVBQESA-N	0	3	306.247	2.741	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OC)c(OCc2ccccc2)c1	ZINC000352466026	336220731	/nfs/dbraw/zinc/22/07/31/336220731.db2.gz	SXQYGXATRYVEPA-KRWDZBQOSA-N	0	3	313.397	2.911	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCN(CC2CCCCC2)CC1	ZINC000352530191	336222927	/nfs/dbraw/zinc/22/29/27/336222927.db2.gz	IITKGJFLSVTEFD-LJQANCHMSA-N	0	3	322.493	2.940	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCSC1)C(C)C	ZINC000352607294	336226699	/nfs/dbraw/zinc/22/66/99/336226699.db2.gz	RODHFLLWBWNCRY-JKSUJKDBSA-N	0	3	310.507	2.944	20	30		DFEDHN
C=C(C)CN(CCCn1ccnc1C)Cc1ccc(CO)o1	ZINC000352795670	336237459	/nfs/dbraw/zinc/23/74/59/336237459.db2.gz	TWHNODSSRJUCEG-UHFFFAOYSA-N	0	3	303.406	2.745	20	30		DFEDHN
CC(C)N1CC[C@H](NC(=O)C(C)C#N)[C@H]1c1ccc(F)c(F)c1	ZINC000352870595	336284652	/nfs/dbraw/zinc/28/46/52/336284652.db2.gz	PEPLQRQOIDTXGS-XFBWCDHKSA-N	0	3	321.371	2.764	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCCC#N)N(C)C	ZINC000352901892	336375379	/nfs/dbraw/zinc/37/53/79/336375379.db2.gz	MKAXOFTUPZNGCJ-DOTOQJQBSA-N	0	3	316.449	2.979	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)NCC(C)(C)C#N)c1ccccc1	ZINC000353296644	336410665	/nfs/dbraw/zinc/41/06/65/336410665.db2.gz	PWNQLEJZJMCXSO-AWEZNQCLSA-N	0	3	316.449	2.965	20	30		DFEDHN
CC#CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000355167163	336496956	/nfs/dbraw/zinc/49/69/56/336496956.db2.gz	RIOFBBGLLURMRF-WBVHZDCISA-N	0	3	301.434	2.699	20	30		DFEDHN
C[C@@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1	ZINC000357787542	336598574	/nfs/dbraw/zinc/59/85/74/336598574.db2.gz	BFHNVRPBPLDUQA-KBPBESRZSA-N	0	3	305.447	2.797	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc3ccccc3n2)CC1	ZINC000359305851	336666825	/nfs/dbraw/zinc/66/68/25/336666825.db2.gz	RBURMYCCDNNRGV-UHFFFAOYSA-N	0	3	324.428	2.684	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CCN1CCN(c2ccccc2)CC1	ZINC000360161420	336703353	/nfs/dbraw/zinc/70/33/53/336703353.db2.gz	HPYQDBBCKGQYKM-UHFFFAOYSA-N	0	3	315.461	2.623	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnnc1C)C(C)C	ZINC000362039871	336783070	/nfs/dbraw/zinc/78/30/70/336783070.db2.gz	UBTIJBKHLWCSJT-MRXNPFEDSA-N	0	3	317.437	2.605	20	30		DFEDHN
C#CCSCCN[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21	ZINC000368635688	336849612	/nfs/dbraw/zinc/84/96/12/336849612.db2.gz	QJJNYGSPKBZFQF-QGZVFWFLSA-N	0	3	320.433	2.575	20	30		DFEDHN
C#CCN1CCC([C@@H]2CCCCCN2C(=O)NC(C)C)CC1	ZINC000369153403	336859608	/nfs/dbraw/zinc/85/96/08/336859608.db2.gz	CMECFLBPSSKIBJ-KRWDZBQOSA-N	0	3	305.466	2.694	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(NC(=O)NCCCC#N)CC1	ZINC000371691853	336910980	/nfs/dbraw/zinc/91/09/80/336910980.db2.gz	DKLFPNOSWRQBGG-OAHLLOKOSA-N	0	3	314.433	2.815	20	30		DFEDHN
CCOc1ncccc1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21	ZINC000373232181	336953982	/nfs/dbraw/zinc/95/39/82/336953982.db2.gz	ZQOUMJHAYWHYJE-TWMKSMIVSA-N	0	3	315.417	2.810	20	30		DFEDHN
CCOC(=O)C1(COC)CCN(CCCCC(C)(C)C#N)CC1	ZINC000373794044	336972781	/nfs/dbraw/zinc/97/27/81/336972781.db2.gz	ZDZSVSCPWBWCOP-UHFFFAOYSA-N	0	3	324.465	2.998	20	30		DFEDHN
CCCCCCCS(=O)(=O)N1CCCC12CCN(C)CC2	ZINC000374205379	336983790	/nfs/dbraw/zinc/98/37/90/336983790.db2.gz	OLSPSWUETQUIIW-UHFFFAOYSA-N	0	3	316.511	2.847	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@@H](c2cc(OC)cc(OC)c2)C1	ZINC000305107183	337013652	/nfs/dbraw/zinc/01/36/52/337013652.db2.gz	ZQPUIYNNFFKWPA-ZBFHGGJFSA-N	0	3	305.418	2.820	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@H]2CCc3n[nH]cc3C2)cc1	ZINC000375718205	337017542	/nfs/dbraw/zinc/01/75/42/337017542.db2.gz	HRBBYTUTILJJOL-DOTOQJQBSA-N	0	3	310.401	2.910	20	30		DFEDHN
Cn1c2ccccc2nc1C(C#N)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000122673788	337018062	/nfs/dbraw/zinc/01/80/62/337018062.db2.gz	OJZSLYHQSQMPRN-CYBMUJFWSA-N	0	3	320.308	2.972	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000375761626	337019086	/nfs/dbraw/zinc/01/90/86/337019086.db2.gz	WDWXCRCQMGYNAU-INIZCTEOSA-N	0	3	323.506	2.794	20	30		DFEDHN
CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCC[C@H]1O	ZINC000305740716	337035393	/nfs/dbraw/zinc/03/53/93/337035393.db2.gz	DITXTYFTQARVSM-FUHWJXTLSA-N	0	3	302.418	2.962	20	30		DFEDHN
C#CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000376777153	337040802	/nfs/dbraw/zinc/04/08/02/337040802.db2.gz	GJMPDQQUEKIROF-HOCLYGCPSA-N	0	3	302.393	2.566	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2cccs2)C[C@H]1C	ZINC000377804240	337061615	/nfs/dbraw/zinc/06/16/15/337061615.db2.gz	FGWAQXRWLFZQQZ-KGLIPLIRSA-N	0	3	305.447	2.688	20	30		DFEDHN
CCC[C@]1(CO)CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000377838737	337062431	/nfs/dbraw/zinc/06/24/31/337062431.db2.gz	BPQQEBGTOSCGMU-QAPCUYQASA-N	0	3	302.418	2.962	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000377882785	337063156	/nfs/dbraw/zinc/06/31/56/337063156.db2.gz	DRZYUXTVTYSORR-IAGOWNOFSA-N	0	3	313.445	2.704	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CC[C@H](c2cn(C)c3ccccc23)C1	ZINC000377940850	337064309	/nfs/dbraw/zinc/06/43/09/337064309.db2.gz	MDRZEHRNLVPNLR-GJZGRUSLSA-N	0	3	311.429	2.658	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(-c3cccs3)on2)CC1	ZINC000171719939	337088928	/nfs/dbraw/zinc/08/89/28/337088928.db2.gz	JMFMFRAAMCHNHD-UHFFFAOYSA-N	0	3	317.414	2.783	20	30		DFEDHN
N#C[C@H]1CC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C1	ZINC000582719161	337124665	/nfs/dbraw/zinc/12/46/65/337124665.db2.gz	WVXWHDWTRJJKKW-ROUUACIJSA-N	0	3	307.397	2.678	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C1	ZINC000582719160	337124707	/nfs/dbraw/zinc/12/47/07/337124707.db2.gz	WVXWHDWTRJJKKW-QZTJIDSGSA-N	0	3	307.397	2.678	20	30		DFEDHN
C=CCCCCCN(C)C(=O)Nc1ccn(CCN(C)C)n1	ZINC000173950561	337138799	/nfs/dbraw/zinc/13/87/99/337138799.db2.gz	UXYGHXSUYMPYQZ-UHFFFAOYSA-N	0	3	307.442	2.655	20	30		DFEDHN
C=CCN(CCOC)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1	ZINC000418341435	337148770	/nfs/dbraw/zinc/14/87/70/337148770.db2.gz	DGGSVJBVKDSAOC-QGZVFWFLSA-N	0	3	319.449	2.654	20	30		DFEDHN
C=CCCCN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000176249587	337149842	/nfs/dbraw/zinc/14/98/42/337149842.db2.gz	GMJOLAMJRUGJAD-QGZVFWFLSA-N	0	3	318.417	2.707	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCCN1CC	ZINC000176978720	337153986	/nfs/dbraw/zinc/15/39/86/337153986.db2.gz	WYPLHCHZTDLKQH-HNNXBMFYSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](OC)C2(CC)CC)CC1	ZINC000178775248	337165084	/nfs/dbraw/zinc/16/50/84/337165084.db2.gz	NJEHGTBPAWNMRA-JKSUJKDBSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000179145673	337168074	/nfs/dbraw/zinc/16/80/74/337168074.db2.gz	HFPIJBYRXZALHQ-CVEARBPZSA-N	0	3	319.474	2.650	20	30		DFEDHN
C=C(C)COc1cc(CNCC2(C)OCCO2)ccc1OC	ZINC000179555490	337169907	/nfs/dbraw/zinc/16/99/07/337169907.db2.gz	HCUZPMHPCSOZIQ-UHFFFAOYSA-N	0	3	307.390	2.503	20	30		DFEDHN
C=C(C)CN(C)C(=O)NCCCN1CCc2ccccc2C1	ZINC000180476216	337174847	/nfs/dbraw/zinc/17/48/47/337174847.db2.gz	JHSYVAXWIBFPAW-UHFFFAOYSA-N	0	3	301.434	2.652	20	30		DFEDHN
C=CCCCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1	ZINC000582973857	337224956	/nfs/dbraw/zinc/22/49/56/337224956.db2.gz	LRKNOQAESNXOCI-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
COC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC	ZINC000185870822	337252228	/nfs/dbraw/zinc/25/22/28/337252228.db2.gz	DIFKBHHMYQCTNI-JSGCOSHPSA-N	0	3	302.374	2.654	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C1(CC)CC	ZINC000187047104	337261390	/nfs/dbraw/zinc/26/13/90/337261390.db2.gz	OTZJRXZTNWVFBF-VYDXJSESSA-N	0	3	323.481	2.614	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1	ZINC000321494750	337271454	/nfs/dbraw/zinc/27/14/54/337271454.db2.gz	TXRSAFYZVIFGGO-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]nc1C1CC1)C(C)C	ZINC000190412029	337287649	/nfs/dbraw/zinc/28/76/49/337287649.db2.gz	UDLYYNUSCFXDLC-MRXNPFEDSA-N	0	3	316.449	2.716	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)COc1cc(C)ccc1Cl	ZINC000191093641	337293811	/nfs/dbraw/zinc/29/38/11/337293811.db2.gz	IQHBQKBZZWAABQ-AWEZNQCLSA-N	0	3	313.825	2.523	20	30		DFEDHN
CCCC1CCC(N(C)CC(=O)N(CCC#N)CCC#N)CC1	ZINC000191422615	337296850	/nfs/dbraw/zinc/29/68/50/337296850.db2.gz	KLOMFGCAKNXQGW-UHFFFAOYSA-N	0	3	318.465	2.933	20	30		DFEDHN
C=CCCC[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000398142229	337307148	/nfs/dbraw/zinc/30/71/48/337307148.db2.gz	ARWNNGBQHINLIX-CQSZACIVSA-N	0	3	306.431	2.666	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N(C)CCCCc1ccccc1	ZINC000193438640	337326496	/nfs/dbraw/zinc/32/64/96/337326496.db2.gz	FRULHNLVQIULAY-MRXNPFEDSA-N	0	3	301.434	2.702	20	30		DFEDHN
Cc1cc(NC[C@@H](c2ccccc2)N2CCCC2)c(C#N)cn1	ZINC000584586868	337369543	/nfs/dbraw/zinc/36/95/43/337369543.db2.gz	JRNSFXGWWYXOSI-IBGZPJMESA-N	0	3	306.413	2.933	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000117034572	337393108	/nfs/dbraw/zinc/39/31/08/337393108.db2.gz	NMGFOSQPFWQMJM-CQSZACIVSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCn1cc(CNc2c3ccccc3nc(C)c2CC)nn1	ZINC000425264261	337445208	/nfs/dbraw/zinc/44/52/08/337445208.db2.gz	OEPOLHQLGXLYST-UHFFFAOYSA-N	0	3	307.401	2.917	20	30		DFEDHN
C=CC(C)(C)CN[C@H](C(N)=O)c1cccc(Br)c1	ZINC000419230727	337476700	/nfs/dbraw/zinc/47/67/00/337476700.db2.gz	QJNVRHXAEGBBRR-LBPRGKRZSA-N	0	3	311.223	2.777	20	30		DFEDHN
C=C(C)[C@H](NCCN1CCO[C@@H](C)C1)c1ccc(F)c(F)c1	ZINC000249274065	337570107	/nfs/dbraw/zinc/57/01/07/337570107.db2.gz	KKGCMHDDTOBVLO-GUYCJALGSA-N	0	3	310.388	2.892	20	30		DFEDHN
CC(C)c1ccccc1OC[C@H](O)CN[C@@H]1CC[C@H](C#N)C1	ZINC000571755661	337575152	/nfs/dbraw/zinc/57/51/52/337575152.db2.gz	KGRFTTBGARPKBB-ARFHVFGLSA-N	0	3	302.418	2.832	20	30		DFEDHN
C=CCC[C@H](N[C@H]1CCN[C@@H]1C(=O)OCC)c1ccccc1	ZINC000422994718	337693938	/nfs/dbraw/zinc/69/39/38/337693938.db2.gz	IOHUZCJMRWDHLU-ULQDDVLXSA-N	0	3	302.418	2.577	20	30		DFEDHN
C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(C(F)(F)F)c1	ZINC000424065922	337730983	/nfs/dbraw/zinc/73/09/83/337730983.db2.gz	MHAAQLUXOLMVFT-MFKMUULPSA-N	0	3	313.323	2.904	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(OC2CCCC2)c1	ZINC000424083230	337731528	/nfs/dbraw/zinc/73/15/28/337731528.db2.gz	ATEQIOTZWDJTNY-INIZCTEOSA-N	0	3	301.390	2.968	20	30		DFEDHN
COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](N)CCCC#N	ZINC000424123991	337748570	/nfs/dbraw/zinc/74/85/70/337748570.db2.gz	NIWZGFRHRIDJPV-HZPDHXFCSA-N	0	3	317.433	2.920	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OCC	ZINC000424167790	337790514	/nfs/dbraw/zinc/79/05/14/337790514.db2.gz	FFNCLAONXSUCGV-WFASDCNBSA-N	0	3	306.362	2.674	20	30		DFEDHN
C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc2cccc(F)c2o1	ZINC000424168230	337790730	/nfs/dbraw/zinc/79/07/30/337790730.db2.gz	IBODOCVENPEBQO-ZWNOBZJWSA-N	0	3	303.337	2.770	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21	ZINC000424172475	337793465	/nfs/dbraw/zinc/79/34/65/337793465.db2.gz	OCSDNLWUXMQSLE-ZIAGYGMSSA-N	0	3	321.808	2.691	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1ccccc1	ZINC000424194374	337805779	/nfs/dbraw/zinc/80/57/79/337805779.db2.gz	XFVKMYMOVCACQS-DLBZAZTESA-N	0	3	301.434	2.639	20	30		DFEDHN
C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)cc(CN)c1	ZINC000424444086	337833569	/nfs/dbraw/zinc/83/35/69/337833569.db2.gz	CBZDZSBOVGNIAU-UHFFFAOYSA-N	0	3	317.433	2.597	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1cccs1	ZINC000116908839	337844628	/nfs/dbraw/zinc/84/46/28/337844628.db2.gz	GSFYSWRHUMDZFM-GOEBONIOSA-N	0	3	312.438	2.759	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCc3cccc(F)c32)CC1	ZINC000426359473	338028727	/nfs/dbraw/zinc/02/87/27/338028727.db2.gz	YCEYNCOEQFZYIZ-UHFFFAOYSA-N	0	3	303.381	2.548	20	30		DFEDHN
C=CCC(C)(C)c1nc(-c2ccnc(OCCN(C)C)c2)no1	ZINC000426451906	338032497	/nfs/dbraw/zinc/03/24/97/338032497.db2.gz	VUTWDDRPJZQRPI-UHFFFAOYSA-N	0	3	316.405	2.926	20	30		DFEDHN
COCCN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCOC1	ZINC000426513128	338033825	/nfs/dbraw/zinc/03/38/25/338033825.db2.gz	FVDQCPCCYHTNOM-QGZVFWFLSA-N	0	3	318.417	2.606	20	30		DFEDHN
CC[C@@]1(O)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000428425441	338050843	/nfs/dbraw/zinc/05/08/43/338050843.db2.gz	CTUBYOORSQUINE-LJQANCHMSA-N	0	3	324.428	2.811	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)NC1CCC(C)CC1	ZINC000429725185	338088427	/nfs/dbraw/zinc/08/84/27/338088427.db2.gz	YIAMYJUGWOCKTQ-CGZBRXJRSA-N	0	3	309.498	2.510	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)ccc1C	ZINC000429729148	338088695	/nfs/dbraw/zinc/08/86/95/338088695.db2.gz	YQOZBAHEVDMSMB-UHFFFAOYSA-N	0	3	303.450	2.682	20	30		DFEDHN
N#CCC1(CNCc2cnc3ccc(Br)cn23)CC1	ZINC000430027841	338093864	/nfs/dbraw/zinc/09/38/64/338093864.db2.gz	SPXUINRPBDWINQ-UHFFFAOYSA-N	0	3	319.206	2.880	20	30		DFEDHN
COCCOc1ccc(CNCC2(CC#N)CC2)cc1OC	ZINC000430073865	338094956	/nfs/dbraw/zinc/09/49/56/338094956.db2.gz	ZDSRELDUIFUCNY-UHFFFAOYSA-N	0	3	304.390	2.504	20	30		DFEDHN
C=CCC(C)(C)CNS(=O)(=O)c1ccc(CN(C)C)cc1	ZINC000432301667	338152484	/nfs/dbraw/zinc/15/24/84/338152484.db2.gz	KGLBUPAPHRLXGK-UHFFFAOYSA-N	0	3	310.463	2.629	20	30		DFEDHN
N#CCCC[C@H](NCC(=O)NCC(F)(F)F)c1ccccc1	ZINC000433017004	338176518	/nfs/dbraw/zinc/17/65/18/338176518.db2.gz	WMPNHENNJZTURT-ZDUSSCGKSA-N	0	3	313.323	2.690	20	30		DFEDHN
CC(C)OC[C@@H](CO)N(C)Cc1ccccc1C(C)(C)C#N	ZINC000433246952	338187812	/nfs/dbraw/zinc/18/78/12/338187812.db2.gz	MYEVCXLAEZPGMU-MRXNPFEDSA-N	0	3	304.434	2.705	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cccc2c1OCO2	ZINC000433304372	338190592	/nfs/dbraw/zinc/19/05/92/338190592.db2.gz	MZMMAHBHSGPBNJ-HNNXBMFYSA-N	0	3	322.364	2.804	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CCO)c1ccccc1	ZINC000433380857	338194335	/nfs/dbraw/zinc/19/43/35/338194335.db2.gz	FZIBLCAWAGQRJW-OALUTQOASA-N	0	3	322.408	2.999	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000437634149	338316691	/nfs/dbraw/zinc/31/66/91/338316691.db2.gz	GNULXHRTYCLFFE-MJGOQNOKSA-N	0	3	318.461	2.504	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCN1CCCC[C@H]1CC	ZINC000437711197	338319103	/nfs/dbraw/zinc/31/91/03/338319103.db2.gz	XVGHQLBFLRSVFA-BBWFWOEESA-N	0	3	323.481	2.531	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1CCCC[C@@H]1CC	ZINC000437711198	338319191	/nfs/dbraw/zinc/31/91/91/338319191.db2.gz	XVGHQLBFLRSVFA-IKGGRYGDSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1	ZINC000438325756	338339780	/nfs/dbraw/zinc/33/97/80/338339780.db2.gz	HHRJGWFFBBWBDA-MRXNPFEDSA-N	0	3	318.461	2.528	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)N[C@H](CCC#N)c2ccccc2)CCN1C	ZINC000438857799	338354090	/nfs/dbraw/zinc/35/40/90/338354090.db2.gz	NGSRCLMNARLLIV-HYVNUMGLSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CC(O)(CCC)CCC)CC1	ZINC000439845140	338379529	/nfs/dbraw/zinc/37/95/29/338379529.db2.gz	XLPFRMJBUFMDME-UHFFFAOYSA-N	0	3	310.482	2.865	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000446591205	338531168	/nfs/dbraw/zinc/53/11/68/338531168.db2.gz	RHGAREOQEJTHHB-HOCLYGCPSA-N	0	3	300.406	2.604	20	30		DFEDHN
CC1(C#N)CCC(NCCS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000449184524	338600350	/nfs/dbraw/zinc/60/03/50/338600350.db2.gz	GIIZKWNIDMCQPK-UHFFFAOYSA-N	0	3	324.421	2.661	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cc(Br)c(OC)s1	ZINC000449700196	338647011	/nfs/dbraw/zinc/64/70/11/338647011.db2.gz	SIAZYDOQRKLPTD-VIFPVBQESA-N	0	3	320.252	2.936	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)CCN1CCCCCC1	ZINC000451797452	338744513	/nfs/dbraw/zinc/74/45/13/338744513.db2.gz	PXUCRKIFLGSCJI-SJORKVTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000453369230	338832977	/nfs/dbraw/zinc/83/29/77/338832977.db2.gz	SUKZKGVQEVSXKH-ZBFHGGJFSA-N	0	3	302.418	2.791	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000455918872	338914433	/nfs/dbraw/zinc/91/44/33/338914433.db2.gz	LTEUXTCBSMEICL-KRWDZBQOSA-N	0	3	312.417	2.845	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccsc1	ZINC000458205721	338991777	/nfs/dbraw/zinc/99/17/77/338991777.db2.gz	TYXPBXXLFUTEGO-CQSZACIVSA-N	0	3	310.463	2.620	20	30		DFEDHN
CN(CC(C)(C)C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000458593872	339001436	/nfs/dbraw/zinc/00/14/36/339001436.db2.gz	VDWGJRLRIJWXIT-HOTGVXAUSA-N	0	3	314.433	2.623	20	30		DFEDHN
CC#CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000458672661	339003085	/nfs/dbraw/zinc/00/30/85/339003085.db2.gz	YWQYSZGRERPALD-INIZCTEOSA-N	0	3	319.474	2.724	20	30		DFEDHN
C[C@@H](NC(=O)N(C)CC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C	ZINC000458779673	339005260	/nfs/dbraw/zinc/00/52/60/339005260.db2.gz	RRVQRHHJZAQPHO-ZBFHGGJFSA-N	0	3	316.449	2.869	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000459075212	339012843	/nfs/dbraw/zinc/01/28/43/339012843.db2.gz	LBWKZGDHEUOFDC-KRWDZBQOSA-N	0	3	316.449	2.511	20	30		DFEDHN
C=C(CC)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000459081963	339013123	/nfs/dbraw/zinc/01/31/23/339013123.db2.gz	RHGUGQZBFPQMOV-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cncc(Cl)c2C)nc(C)n1	ZINC000459283305	339019170	/nfs/dbraw/zinc/01/91/70/339019170.db2.gz	FAUWPBSEHPECSA-LLVKDONJSA-N	0	3	300.749	2.940	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1	ZINC000462640325	339083082	/nfs/dbraw/zinc/08/30/82/339083082.db2.gz	JCAGTGVIMSLHDG-GAFUQQFSSA-N	0	3	307.191	2.971	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C	ZINC000471854732	339356066	/nfs/dbraw/zinc/35/60/66/339356066.db2.gz	BGEJTPXSKZMYPL-XIRDDKMYSA-N	0	3	316.445	2.651	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C	ZINC000472326007	339369812	/nfs/dbraw/zinc/36/98/12/339369812.db2.gz	ZHIRRZQZZPSSMM-SJLPKXTDSA-N	0	3	313.445	2.702	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CCc3sc(Cl)cc32)CC1	ZINC000491278196	339856026	/nfs/dbraw/zinc/85/60/26/339856026.db2.gz	RTZCTKWGGYIILH-CYBMUJFWSA-N	0	3	322.861	2.850	20	30		DFEDHN
C=CCN(C(=O)/C=C\CN(C)C)c1nc2c(s1)CCCC2	ZINC000492107303	339891678	/nfs/dbraw/zinc/89/16/78/339891678.db2.gz	HTBQMOQXERGVLZ-YFHOEESVSA-N	0	3	305.447	2.659	20	30		DFEDHN
C=C1CCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000496146651	339999319	/nfs/dbraw/zinc/99/93/19/339999319.db2.gz	LXINOTYSPIAXKJ-GOSISDBHSA-N	0	3	324.465	2.791	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCc3c(cccc3N3CCOC3=O)C2)C1	ZINC000496531010	340007305	/nfs/dbraw/zinc/00/73/05/340007305.db2.gz	UZDUQEURSXIKPA-ZFWWWQNUSA-N	0	3	311.385	2.694	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CCC(CC#N)CC2)C1	ZINC000496736613	340011665	/nfs/dbraw/zinc/01/16/65/340011665.db2.gz	BUXPIMUMYQPRFN-YJBOKZPZSA-N	0	3	319.449	2.869	20	30		DFEDHN
COc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cn1	ZINC000505410158	340167739	/nfs/dbraw/zinc/16/77/39/340167739.db2.gz	RPECYTJMHJZQBI-NSHDSACASA-N	0	3	316.386	2.916	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(NC(=O)C(C)C)CC2)cc1	ZINC000507114922	340207951	/nfs/dbraw/zinc/20/79/51/340207951.db2.gz	CZOBIMCYDUFCFG-UHFFFAOYSA-N	0	3	316.445	2.988	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CNCCNC(=O)OC(C)(C)C)cc1	ZINC000177574428	340441665	/nfs/dbraw/zinc/44/16/65/340441665.db2.gz	XWWGDHFROHPJFK-CYBMUJFWSA-N	0	3	319.405	2.592	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1	ZINC000516934212	340459093	/nfs/dbraw/zinc/45/90/93/340459093.db2.gz	FXLURLANUACBPA-QGZVFWFLSA-N	0	3	324.428	2.895	20	30		DFEDHN
C=CCN1CCC(Nc2cnn(C(C)(C)C)c(=O)c2Cl)CC1	ZINC000525193455	340694416	/nfs/dbraw/zinc/69/44/16/340694416.db2.gz	LWKJBJVTWKZGHQ-UHFFFAOYSA-N	0	3	324.856	2.714	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CC(C)(C)OC2(C)C)CC1	ZINC000528447346	340719569	/nfs/dbraw/zinc/71/95/69/340719569.db2.gz	GQMOYXIRBFQCEL-OAHLLOKOSA-N	0	3	308.466	2.737	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(c3ccccc3)CCCC2)CC1	ZINC000070955620	341020350	/nfs/dbraw/zinc/02/03/50/341020350.db2.gz	CADNKNUSXPNEHX-UHFFFAOYSA-N	0	3	310.441	2.917	20	30		DFEDHN
CN(C)CCOc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1	ZINC000544946148	341100624	/nfs/dbraw/zinc/10/06/24/341100624.db2.gz	XUGAHHBANVKWMW-UHFFFAOYSA-N	0	3	312.373	2.622	20	30		DFEDHN
C[C@@H](C#N)CN[C@H](C)CCCCN1C(=O)c2ccccc2C1=O	ZINC000546035330	341152191	/nfs/dbraw/zinc/15/21/91/341152191.db2.gz	USMGQQLGMFODJI-UONOGXRCSA-N	0	3	313.401	2.591	20	30		DFEDHN
N#CC(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccncn1	ZINC000546860924	341183852	/nfs/dbraw/zinc/18/38/52/341183852.db2.gz	VSNYUUZWBJVPRU-HZPDHXFCSA-N	0	3	307.353	2.861	20	30		DFEDHN
CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1	ZINC000077194577	341220308	/nfs/dbraw/zinc/22/03/08/341220308.db2.gz	JWUJUOBMEDNUKA-UHFFFAOYSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@H](O)COC[C@@H]1CCCO1	ZINC000548096841	341246862	/nfs/dbraw/zinc/24/68/62/341246862.db2.gz	NEMGJUXYGQBTGZ-OALUTQOASA-N	0	3	319.445	2.621	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(SCC#N)c1	ZINC000079528574	341260733	/nfs/dbraw/zinc/26/07/33/341260733.db2.gz	XFACQXJVRKMGTL-CJNGLKHVSA-N	0	3	317.458	2.714	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCC(C)(C)C#N	ZINC000551413253	341341004	/nfs/dbraw/zinc/34/10/04/341341004.db2.gz	GYOOUZOVVORDBT-ZBFHGGJFSA-N	0	3	302.418	2.936	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000551892726	341354256	/nfs/dbraw/zinc/35/42/56/341354256.db2.gz	XGKVOFVSASUQGG-DJIMGWMZSA-N	0	3	314.433	2.528	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)c1	ZINC000248925359	341390233	/nfs/dbraw/zinc/39/02/33/341390233.db2.gz	XYRMWFYNFITPFJ-RHSMWYFYSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000565286055	341522688	/nfs/dbraw/zinc/52/26/88/341522688.db2.gz	DXFAYERHNWWIPH-CABCVRRESA-N	0	3	308.809	2.910	20	30		DFEDHN
CCCCO[C@@H]1C[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C1(C)C	ZINC000567428933	341603997	/nfs/dbraw/zinc/60/39/97/341603997.db2.gz	YODBICDWYAKSCY-HDMKZQKVSA-N	0	3	323.481	2.614	20	30		DFEDHN
CNCc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1	ZINC000567865979	341637564	/nfs/dbraw/zinc/63/75/64/341637564.db2.gz	KIEHABCMEQDSHM-UHFFFAOYSA-N	0	3	300.406	2.954	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2coc3ccc(F)cc23)CC1	ZINC000568397624	341670052	/nfs/dbraw/zinc/67/00/52/341670052.db2.gz	VXCNMNKEYDWPIQ-UHFFFAOYSA-N	0	3	302.349	2.952	20	30		DFEDHN
Cc1cc(CN[C@@H]2CCc3nc(C(C)C)nn3C2)ccc1C#N	ZINC000332597483	533725969	/nfs/dbraw/zinc/72/59/69/533725969.db2.gz	CDMYEVJSAAHLQX-MRXNPFEDSA-N	0	3	309.417	2.686	20	30		DFEDHN
CC[C@H](O)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000265869067	522825552	/nfs/dbraw/zinc/82/55/52/522825552.db2.gz	VCRGEKAFNWEUQN-HOTGVXAUSA-N	0	3	318.417	2.571	20	30		DFEDHN
CC[C@@H](O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC	ZINC000265869070	523012078	/nfs/dbraw/zinc/01/20/78/523012078.db2.gz	VCRGEKAFNWEUQN-HZPDHXFCSA-N	0	3	318.417	2.571	20	30		DFEDHN
CC[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000366390231	523468312	/nfs/dbraw/zinc/46/83/12/523468312.db2.gz	UZJZJQIAVIDENP-SUMDDJOVSA-N	0	3	313.445	2.662	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)c1ccc(C#N)cc1	ZINC000363826402	523477941	/nfs/dbraw/zinc/47/79/41/523477941.db2.gz	VIBAHCJYOBEKOW-QYZOEREBSA-N	0	3	313.445	2.540	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@H](Oc3ccccc3)C2)cc1	ZINC000363840667	526687885	/nfs/dbraw/zinc/68/78/85/526687885.db2.gz	FUCFJZNJIVHQLB-OALUTQOASA-N	0	3	308.381	2.745	20	30		DFEDHN
Cc1nn(C)c(C)c1CN1CCCN(c2ccccc2C#N)CC1	ZINC000154884243	527630169	/nfs/dbraw/zinc/63/01/69/527630169.db2.gz	ADULUJAJPFEMDZ-UHFFFAOYSA-N	0	3	323.444	2.621	20	30		DFEDHN
CCN(CC)C(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000362913285	535397682	/nfs/dbraw/zinc/39/76/82/535397682.db2.gz	LXKKIBOYNWPEAV-UHFFFAOYSA-N	0	3	313.445	2.947	20	30		DFEDHN
CCN(CC)C(=O)CCCN[C@H](C)c1ccc(C#N)cc1F	ZINC000358569272	535419598	/nfs/dbraw/zinc/41/95/98/535419598.db2.gz	LWZGQVRQNFNBLN-CYBMUJFWSA-N	0	3	305.397	2.997	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1cccc(Cl)c1	ZINC000681451742	545641769	/nfs/dbraw/zinc/64/17/69/545641769.db2.gz	DDTPXCMMKNPUJD-SJLPKXTDSA-N	0	3	318.848	2.928	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)[C@H](C)C1	ZINC000681470416	545646417	/nfs/dbraw/zinc/64/64/17/545646417.db2.gz	QEFWXVMAOXMRMV-DYVFJYSZSA-N	0	3	304.821	2.538	20	30		DFEDHN
C=CC[C@@H](C(=O)NCCN1CCC(OC)CC1)c1ccccc1	ZINC000681735274	545710314	/nfs/dbraw/zinc/71/03/14/545710314.db2.gz	XQUZHFUAYTYVBK-GOSISDBHSA-N	0	3	316.445	2.573	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1cc(CO)c(F)cn1)C(C)C	ZINC000685265731	546333690	/nfs/dbraw/zinc/33/36/90/546333690.db2.gz	QEWRTPUHRLAEGG-INIZCTEOSA-N	0	3	307.413	2.824	20	30		DFEDHN
C=CC[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C(C)C	ZINC000819743399	606885940	/nfs/dbraw/zinc/88/59/40/606885940.db2.gz	IHXABBNOMQUWEW-UHFFFAOYSA-N	0	3	301.394	2.532	20	30		DFEDHN
C=CC[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C(C)C	ZINC000819743399	606885942	/nfs/dbraw/zinc/88/59/42/606885942.db2.gz	IHXABBNOMQUWEW-UHFFFAOYSA-N	0	3	301.394	2.532	20	30		DFEDHN
C=CC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C(C)C	ZINC000819743399	606885944	/nfs/dbraw/zinc/88/59/44/606885944.db2.gz	IHXABBNOMQUWEW-UHFFFAOYSA-N	0	3	301.394	2.532	20	30		DFEDHN
C=CC[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C(C)C	ZINC000819743399	606885945	/nfs/dbraw/zinc/88/59/45/606885945.db2.gz	IHXABBNOMQUWEW-UHFFFAOYSA-N	0	3	301.394	2.532	20	30		DFEDHN
C=C(CC)C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000823878157	608311426	/nfs/dbraw/zinc/31/14/26/608311426.db2.gz	REWWWHUENUJRQS-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
C=C(CC)C[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000823878157	608311427	/nfs/dbraw/zinc/31/14/27/608311427.db2.gz	REWWWHUENUJRQS-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
N#CCCCC[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826381795	608464848	/nfs/dbraw/zinc/46/48/48/608464848.db2.gz	ZGENMJLFFOBQQY-UHFFFAOYSA-N	0	3	308.389	2.650	20	30		DFEDHN
N#CCCCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1	ZINC000826381795	608464849	/nfs/dbraw/zinc/46/48/49/608464849.db2.gz	ZGENMJLFFOBQQY-UHFFFAOYSA-N	0	3	308.389	2.650	20	30		DFEDHN
N#CCCCC[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826381795	608464850	/nfs/dbraw/zinc/46/48/50/608464850.db2.gz	ZGENMJLFFOBQQY-UHFFFAOYSA-N	0	3	308.389	2.650	20	30		DFEDHN
N#CCCCC[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826381795	608464851	/nfs/dbraw/zinc/46/48/51/608464851.db2.gz	ZGENMJLFFOBQQY-UHFFFAOYSA-N	0	3	308.389	2.650	20	30		DFEDHN
C[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000824612939	608483724	/nfs/dbraw/zinc/48/37/24/608483724.db2.gz	QAJFYLIJFROISW-NSHDSACASA-N	0	3	322.347	2.728	20	30		DFEDHN
C#CC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1	ZINC000823837970	608516764	/nfs/dbraw/zinc/51/67/64/608516764.db2.gz	JKQJFWFOHDVGAI-KRWDZBQOSA-N	0	3	321.359	2.860	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC=C(c3ccncc3)C2)cc1	ZINC000286537637	219042519	/nfs/dbraw/zinc/04/25/19/219042519.db2.gz	RQCJMRAQSWUCEI-IBGZPJMESA-N	0	3	305.381	2.776	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000076737493	185037600	/nfs/dbraw/zinc/03/76/00/185037600.db2.gz	HPWOGWMFGMCPQH-CYBMUJFWSA-N	0	3	304.390	2.683	20	30		DFEDHN
C=CCCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1	ZINC000278480946	214182176	/nfs/dbraw/zinc/18/21/76/214182176.db2.gz	HWCPLKUXQDNUGG-UHFFFAOYSA-N	0	3	301.434	2.654	20	30		DFEDHN
CN(C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2O1	ZINC000370503911	282126778	/nfs/dbraw/zinc/12/67/78/282126778.db2.gz	AJJFHMAOLKGLMA-MRXNPFEDSA-N	0	3	321.380	2.528	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1cncc(Cl)n1	ZINC000278590729	214260176	/nfs/dbraw/zinc/26/01/76/214260176.db2.gz	DQIWGIDNVOHXGN-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)Nc1cccc(CN2CCCCC2)c1	ZINC000278684962	214326085	/nfs/dbraw/zinc/32/60/85/214326085.db2.gz	QMVYTSIDRGJUJF-SFHVURJKSA-N	0	3	302.418	2.938	20	30		DFEDHN
C=CCN1CCC(NCc2ncc(C(F)(F)F)s2)CC1	ZINC000278774252	214391708	/nfs/dbraw/zinc/39/17/08/214391708.db2.gz	YNQHCQAUAQZMMF-UHFFFAOYSA-N	0	3	305.369	2.902	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1ccn(C)c1)C(C)C	ZINC000081478411	398352001	/nfs/dbraw/zinc/35/20/01/398352001.db2.gz	CEROVVCCRFQPQO-QGZVFWFLSA-N	0	3	318.465	2.523	20	30		DFEDHN
C#CCN(Cc1cc(=O)n2cccc(C)c2n1)C1CCCCC1	ZINC000065960872	398353308	/nfs/dbraw/zinc/35/33/08/398353308.db2.gz	NLIUHHTXUKRYNO-UHFFFAOYSA-N	0	3	309.413	2.771	20	30		DFEDHN
CCCN(C(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1CCN(C)C1	ZINC000591916901	398353434	/nfs/dbraw/zinc/35/34/34/398353434.db2.gz	CPRWTYGCEDZDBE-PBHICJAKSA-N	0	3	314.433	2.745	20	30		DFEDHN
CSc1ccc([C@H](CNc2c(C#N)cnn2C)N(C)C)cc1	ZINC000596245789	398366428	/nfs/dbraw/zinc/36/64/28/398366428.db2.gz	ABKOLDNRUHMGCH-HNNXBMFYSA-N	0	3	315.446	2.728	20	30		DFEDHN
CC(C)Oc1ccc2nccc(N3CC[C@](O)(CC#N)C3)c2c1	ZINC000591974674	398366654	/nfs/dbraw/zinc/36/66/54/398366654.db2.gz	PHPITHJGFFMLSM-GOSISDBHSA-N	0	3	311.385	2.877	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1ncon1	ZINC000578400649	398372985	/nfs/dbraw/zinc/37/29/85/398372985.db2.gz	BUHGACBFKVAPIX-HZPDHXFCSA-N	0	3	324.384	2.896	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN[C@H]2CCC[C@H]2F)c(OC)c1	ZINC000578499311	398373613	/nfs/dbraw/zinc/37/36/13/398373613.db2.gz	ILRADTFMEXQMKR-OAGGEKHMSA-N	0	3	323.408	2.644	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(Cl)c1	ZINC000578859786	398376321	/nfs/dbraw/zinc/37/63/21/398376321.db2.gz	JGECLXMKMFOASE-HZPDHXFCSA-N	0	3	309.841	2.587	20	30		DFEDHN
Cc1cc(N(C)CCN2CCCCC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596293206	398378489	/nfs/dbraw/zinc/37/84/89/398378489.db2.gz	AZAGUKAKZXKSCB-UHFFFAOYSA-N	0	3	302.378	2.697	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)C[C@@H]2CC)cc(OC)c1O	ZINC000579623858	398382195	/nfs/dbraw/zinc/38/21/95/398382195.db2.gz	APVQWGHAINLTAZ-INIZCTEOSA-N	0	3	304.434	2.655	20	30		DFEDHN
C[C@H]1CCn2ncc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c2C1	ZINC000581011485	398387098	/nfs/dbraw/zinc/38/70/98/398387098.db2.gz	UJMIVVPVIZVXAM-NWDGAFQWSA-N	0	3	319.368	2.832	20	30		DFEDHN
N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	ZINC000592123226	398387420	/nfs/dbraw/zinc/38/74/20/398387420.db2.gz	RANQGSJOXOSXEO-HSALFYBXSA-N	0	3	319.408	2.958	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596332954	398388653	/nfs/dbraw/zinc/38/86/53/398388653.db2.gz	SYQCRAOSKUHVCE-ARFHVFGLSA-N	0	3	306.454	2.632	20	30		DFEDHN
N#Cc1ccc(OCCN[C@@H](CCO)c2ccccc2F)cc1	ZINC000592162194	398395028	/nfs/dbraw/zinc/39/50/28/398395028.db2.gz	VLFDVBUSFIVOBH-SFHVURJKSA-N	0	3	314.360	2.789	20	30		DFEDHN
N#CC1(CCCN[C@@H](CCO)c2ccccc2F)CCOCC1	ZINC000592159732	398394392	/nfs/dbraw/zinc/39/43/92/398394392.db2.gz	FDGYPZVUVMWMQV-KRWDZBQOSA-N	0	3	320.408	2.939	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2	ZINC000332653989	529751464	/nfs/dbraw/zinc/75/14/64/529751464.db2.gz	NZJWASMJUIDNHJ-WCQYABFASA-N	0	3	313.380	2.517	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccc(C)cc2)CCC1	ZINC000592189861	398400144	/nfs/dbraw/zinc/40/01/44/398400144.db2.gz	YCVORGJUQCXWKB-INIZCTEOSA-N	0	3	313.445	2.972	20	30		DFEDHN
CC1(C)CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1	ZINC000584712058	398401488	/nfs/dbraw/zinc/40/14/88/398401488.db2.gz	BVIFDKNUJJTYGU-UHFFFAOYSA-N	0	3	300.793	2.948	20	30		DFEDHN
C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(C#N)cc1	ZINC000084651257	398405838	/nfs/dbraw/zinc/40/58/38/398405838.db2.gz	UFVJJCRZRRQWJQ-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
CCCN(C(=O)Nc1cccc(C#N)c1C)[C@@H]1CCN(C)C1	ZINC000592239816	398406891	/nfs/dbraw/zinc/40/68/91/398406891.db2.gz	QWXMMXCBWNTQFW-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
CCCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCN(C)C1	ZINC000592263356	398408933	/nfs/dbraw/zinc/40/89/33/398408933.db2.gz	SKYXBTNHVCNRIQ-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
CN(CCC(=O)Nc1ccccc1C#N)[C@@H](CO)c1ccccc1	ZINC000298180218	529872026	/nfs/dbraw/zinc/87/20/26/529872026.db2.gz	RNHIMHAJTUEPAQ-SFHVURJKSA-N	0	3	323.396	2.552	20	30		DFEDHN
COCC[C@H](C)ON=C(N)c1ccccc1CN1CCCCC1	ZINC000088519819	398437554	/nfs/dbraw/zinc/43/75/54/398437554.db2.gz	HULJIIRRQMIGJG-HNNXBMFYSA-N	0	3	319.449	2.734	20	30		DFEDHN
Cc1ccc2c(c1)[C@H](NCc1cnc3c(C#N)cnn3c1)[C@@H](C)C2	ZINC000592505410	398437163	/nfs/dbraw/zinc/43/71/63/398437163.db2.gz	SYAPOZCNZVVTKA-SCLBCKFNSA-N	0	3	317.396	2.933	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)c(Cl)c1)C(C)(C)n1cncn1	ZINC000585726435	398441950	/nfs/dbraw/zinc/44/19/50/398441950.db2.gz	BJLLQWSHAOAGRJ-NSHDSACASA-N	0	3	303.797	2.717	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccc(C#N)cn12	ZINC000585767484	398446024	/nfs/dbraw/zinc/44/60/24/398446024.db2.gz	OSBHPWWOUZDPPZ-SFHVURJKSA-N	0	3	313.364	2.855	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000025865823	398446474	/nfs/dbraw/zinc/44/64/74/398446474.db2.gz	RBGGTIDCJNDXFA-GOSISDBHSA-N	0	3	310.397	2.624	20	30		DFEDHN
Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCOCC1	ZINC000585792274	398447771	/nfs/dbraw/zinc/44/77/71/398447771.db2.gz	KMJOYRUPMAVTJV-FVQBIDKESA-N	0	3	302.422	2.560	20	30		DFEDHN
CO/N=C/c1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1	ZINC000068210879	398486078	/nfs/dbraw/zinc/48/60/78/398486078.db2.gz	HOXUZNVLTAIYNZ-RBXCXTNXSA-N	0	3	317.433	2.517	20	30		DFEDHN
COc1ccc(Br)cc1C1(NC(=O)C(C)C#N)CC1	ZINC000592824594	398490621	/nfs/dbraw/zinc/49/06/21/398490621.db2.gz	PADXOKZHJPERNB-SECBINFHSA-N	0	3	323.190	2.723	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCC(O)CC2)CC1	ZINC000295734052	398490755	/nfs/dbraw/zinc/49/07/55/398490755.db2.gz	PEEISZQBZDUZFC-MRXNPFEDSA-N	0	3	320.477	2.593	20	30		DFEDHN
CCCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCN(C)C1	ZINC000592829362	398491790	/nfs/dbraw/zinc/49/17/90/398491790.db2.gz	OMFLKZLAURCRBS-QZTJIDSGSA-N	0	3	313.445	2.702	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(CC#N)c1	ZINC000068310986	398493615	/nfs/dbraw/zinc/49/36/15/398493615.db2.gz	TWPKSIXHDRMXKD-UHFFFAOYSA-N	0	3	321.424	2.957	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000596757063	398493960	/nfs/dbraw/zinc/49/39/60/398493960.db2.gz	HVXWZAVVVHJASV-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000596757059	398494037	/nfs/dbraw/zinc/49/40/37/398494037.db2.gz	HVXWZAVVVHJASV-CABCVRRESA-N	0	3	306.454	2.585	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596761932	398495592	/nfs/dbraw/zinc/49/55/92/398495592.db2.gz	DBEMEAAKEAJAGX-HZPDHXFCSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596764743	398496982	/nfs/dbraw/zinc/49/69/82/398496982.db2.gz	HBUSBUXGWXCWTQ-YLFCFFPRSA-N	0	3	318.465	2.727	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(F)cc1C#N	ZINC000596785295	398501292	/nfs/dbraw/zinc/50/12/92/398501292.db2.gz	UDFUELGRRYOMLF-CYBMUJFWSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N1CCC[C@@H](C)C1	ZINC000596801662	398504329	/nfs/dbraw/zinc/50/43/29/398504329.db2.gz	PWFSNOMEUCGZAQ-VXGBXAGGSA-N	0	3	321.371	2.687	20	30		DFEDHN
Cc1cc(NC(=O)CCCCCC#N)n(C2CCN(C)CC2)n1	ZINC000588940271	398519044	/nfs/dbraw/zinc/51/90/44/398519044.db2.gz	RWOZJYBVXSQAMU-UHFFFAOYSA-N	0	3	317.437	2.871	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)C1	ZINC000596879518	398521304	/nfs/dbraw/zinc/52/13/04/398521304.db2.gz	BVZFMPDZIMLOFK-MRXNPFEDSA-N	0	3	314.433	2.577	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000068387665	282488259	/nfs/dbraw/zinc/48/82/59/282488259.db2.gz	GOSDGYMNKGFMPT-AWEZNQCLSA-N	0	3	322.412	2.812	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)c(=O)[nH]1	ZINC000068721966	398522399	/nfs/dbraw/zinc/52/23/99/398522399.db2.gz	AYHKTTZNYIPIJF-NSHDSACASA-N	0	3	309.350	2.783	20	30		DFEDHN
Oc1cccc(/C=N/CCCN2CCc3ccccc3C2)c1O	ZINC000031854403	398523502	/nfs/dbraw/zinc/52/35/02/398523502.db2.gz	PTFIYCJGAIZFDH-DEDYPNTBSA-N	0	3	310.397	2.965	20	30		DFEDHN
Cc1ccc(C#N)nc1N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000589115373	398528190	/nfs/dbraw/zinc/52/81/90/398528190.db2.gz	XPEQJTJCVARFPE-KRWDZBQOSA-N	0	3	321.428	2.615	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCCCC2CCCC2)cc1	ZINC000319042934	398540862	/nfs/dbraw/zinc/54/08/62/398540862.db2.gz	IJLGXBWBLGSLEG-UHFFFAOYSA-N	0	3	320.458	2.892	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CC[C@]2(CC2(F)F)C1	ZINC000593114871	398549812	/nfs/dbraw/zinc/54/98/12/398549812.db2.gz	HAVJNSRIEZAULH-ZDUSSCGKSA-N	0	3	311.357	2.679	20	30		DFEDHN
CCN1CCCN(c2ncc(Br)cc2C#N)[C@H](C)C1	ZINC000320931293	398551004	/nfs/dbraw/zinc/55/10/04/398551004.db2.gz	SKZMHKVUUFXGAR-LLVKDONJSA-N	0	3	323.238	2.636	20	30		DFEDHN
CCc1ccccc1CNC[C@H](O)COc1ccccc1C#N	ZINC000321374561	398552385	/nfs/dbraw/zinc/55/23/85/398552385.db2.gz	DAXNZOWXKAVMNS-SFHVURJKSA-N	0	3	310.397	2.650	20	30		DFEDHN
COc1cc(CN2CCc3ccccc3[C@H]2CN)ccc1C#N	ZINC000322892289	398559776	/nfs/dbraw/zinc/55/97/76/398559776.db2.gz	DKAYIMOTKCNRPO-GOSISDBHSA-N	0	3	307.397	2.625	20	30		DFEDHN
CN(CCN1CCCCC1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000593155213	398560052	/nfs/dbraw/zinc/56/00/52/398560052.db2.gz	BJJSWFPNFCDEKH-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC000589584291	398561490	/nfs/dbraw/zinc/56/14/90/398561490.db2.gz	OMZHTDZNWBEVDJ-DZGCQCFKSA-N	0	3	306.413	2.874	20	30		DFEDHN
Cc1cccc2c1ncc(C#N)c2N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000589584297	398561291	/nfs/dbraw/zinc/56/12/91/398561291.db2.gz	OMZHTDZNWBEVDJ-UKRRQHHQSA-N	0	3	306.413	2.874	20	30		DFEDHN
Cc1noc([C@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)C2)n1	ZINC000597123842	398570201	/nfs/dbraw/zinc/57/02/01/398570201.db2.gz	DDYSLEFXQIHORY-HNNXBMFYSA-N	0	3	308.385	2.923	20	30		DFEDHN
Cc1nc(NC2CCN([C@H]3CCOC3)CC2)c(Cl)cc1C#N	ZINC000589689316	398570623	/nfs/dbraw/zinc/57/06/23/398570623.db2.gz	GRMXAIGJDQNCPZ-AWEZNQCLSA-N	0	3	320.824	2.580	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)c3ccsc3)CC2)C1	ZINC000332727093	398570707	/nfs/dbraw/zinc/57/07/07/398570707.db2.gz	RIGVHWCVTYQITL-SWLSCSKDSA-N	0	3	303.431	2.635	20	30		DFEDHN
Cc1nc(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)cc1C#N	ZINC000589689318	398570773	/nfs/dbraw/zinc/57/07/73/398570773.db2.gz	GRMXAIGJDQNCPZ-CQSZACIVSA-N	0	3	320.824	2.580	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1	ZINC000279895132	215214699	/nfs/dbraw/zinc/21/46/99/215214699.db2.gz	UYTYDNJDLJMOCW-BSXFFOKHSA-N	0	3	300.402	2.888	20	30		DFEDHN
Cc1ncsc1-c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1	ZINC000597154613	398577823	/nfs/dbraw/zinc/57/78/23/398577823.db2.gz	BOJREXVHSIZQTR-KRWDZBQOSA-N	0	3	313.426	2.969	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1F	ZINC000597176562	398582574	/nfs/dbraw/zinc/58/25/74/398582574.db2.gz	JIMKVTNLKDYXQW-ZDUSSCGKSA-N	0	3	319.355	2.537	20	30		DFEDHN
C=CCN(CC(=O)NCc1cccnc1)CC1CCCCC1	ZINC000069860040	398587362	/nfs/dbraw/zinc/58/73/62/398587362.db2.gz	ORDGROZWVUJYBG-UHFFFAOYSA-N	0	3	301.434	2.766	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CCC(C3CC3)CC2)cc1	ZINC000590008660	398590620	/nfs/dbraw/zinc/59/06/20/398590620.db2.gz	PFCJSYWJLZNFPO-SFHVURJKSA-N	0	3	314.429	2.614	20	30		DFEDHN
C[C@]12COC[C@@H]1CN(Cc1cccc(OCCCC#N)c1)C2	ZINC000597212577	398591819	/nfs/dbraw/zinc/59/18/19/398591819.db2.gz	VQNYTBGZGZFOJZ-WMZOPIPTSA-N	0	3	300.402	2.837	20	30		DFEDHN
C[C@@]12COC[C@@H]1CN(Cc1cccc(OCCCC#N)c1)C2	ZINC000597212574	398591948	/nfs/dbraw/zinc/59/19/48/398591948.db2.gz	VQNYTBGZGZFOJZ-FUHWJXTLSA-N	0	3	300.402	2.837	20	30		DFEDHN
CN1CCC[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1	ZINC000590071965	398594438	/nfs/dbraw/zinc/59/44/38/398594438.db2.gz	SQBJHCAFOXTYIM-IRXDYDNUSA-N	0	3	314.433	2.815	20	30		DFEDHN
CN(C)CCN(Cc1cccnc1)c1snc(Cl)c1C#N	ZINC000092686374	398594617	/nfs/dbraw/zinc/59/46/17/398594617.db2.gz	YPPUPNFPBSGFGE-UHFFFAOYSA-N	0	3	321.837	2.631	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@]1(C)CO	ZINC000597236822	398600527	/nfs/dbraw/zinc/60/05/27/398600527.db2.gz	UHOKYGXUKHVFCI-QAPCUYQASA-N	0	3	302.418	2.819	20	30		DFEDHN
CC(C)(CNC(=O)CC1(C#N)CC1)N1CCc2ccccc2C1	ZINC000590150535	398601026	/nfs/dbraw/zinc/60/10/26/398601026.db2.gz	DAWBKWKCEQMDRE-UHFFFAOYSA-N	0	3	311.429	2.633	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)cc1F	ZINC000597237839	398601493	/nfs/dbraw/zinc/60/14/93/398601493.db2.gz	DDOYVTLISOWFLF-RDJZCZTQSA-N	0	3	304.365	2.909	20	30		DFEDHN
CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1OCC(=O)NC	ZINC000590169904	398603425	/nfs/dbraw/zinc/60/34/25/398603425.db2.gz	BJQBJAWZDXOJMR-DZKIICNBSA-N	0	3	315.417	2.544	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000590186655	398604433	/nfs/dbraw/zinc/60/44/33/398604433.db2.gz	KCDLDTALFSRUBC-KRWDZBQOSA-N	0	3	311.429	2.709	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1	ZINC000590294624	398611258	/nfs/dbraw/zinc/61/12/58/398611258.db2.gz	JUYOBVKPLFUJSN-DOTOQJQBSA-N	0	3	311.429	2.850	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)CC#N	ZINC000597321685	398620100	/nfs/dbraw/zinc/62/01/00/398620100.db2.gz	NSJDBVRTKPNILQ-FUHWJXTLSA-N	0	3	313.445	2.907	20	30		DFEDHN
C[C@H](C1CC1)N(C)CC(=O)Nc1ccccc1SCC#N	ZINC000072581906	398623632	/nfs/dbraw/zinc/62/36/32/398623632.db2.gz	DHJHXGXSYGPKEP-GFCCVEGCSA-N	0	3	303.431	2.971	20	30		DFEDHN
N#CC1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCC1	ZINC000593428205	398625246	/nfs/dbraw/zinc/62/52/46/398625246.db2.gz	TZHMQURMMOQHFR-MRXNPFEDSA-N	0	3	318.465	2.730	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000593422575	398624416	/nfs/dbraw/zinc/62/44/16/398624416.db2.gz	OIAODYLGTLPFJW-KRWDZBQOSA-N	0	3	301.434	2.559	20	30		DFEDHN
COC(=O)C(C)(C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000093282878	398627121	/nfs/dbraw/zinc/62/71/21/398627121.db2.gz	KEOZEGXUGMEMJU-INIZCTEOSA-N	0	3	300.402	2.969	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1	ZINC000152396910	186068596	/nfs/dbraw/zinc/06/85/96/186068596.db2.gz	MBIIBOAAUHQCNI-MRXNPFEDSA-N	0	3	307.401	2.864	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597360687	398627975	/nfs/dbraw/zinc/62/79/75/398627975.db2.gz	KQORLJOUZNBIFN-OLZOCXBDSA-N	0	3	319.355	2.535	20	30		DFEDHN
N#Cc1c(NC[C@H](O)CN2CCCCC2)cccc1C(F)F	ZINC000590571998	398632841	/nfs/dbraw/zinc/63/28/41/398632841.db2.gz	IIBNFNSZLBGXGD-LBPRGKRZSA-N	0	3	309.360	2.755	20	30		DFEDHN
C=CCN1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1	ZINC000590579369	398633621	/nfs/dbraw/zinc/63/36/21/398633621.db2.gz	TYGQTKOGYDJCMD-UHFFFAOYSA-N	0	3	305.378	2.974	20	30		DFEDHN
Cc1ccc(NC(=O)COc2ccccc2C#N)c(CN(C)C)c1	ZINC000072840867	398640853	/nfs/dbraw/zinc/64/08/53/398640853.db2.gz	IXWPDIGAKSEZMT-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597453591	398644136	/nfs/dbraw/zinc/64/41/36/398644136.db2.gz	KUHFYNVXENNIKI-LLVKDONJSA-N	0	3	321.371	2.639	20	30		DFEDHN
N#CCCCCN1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000363209545	398644165	/nfs/dbraw/zinc/64/41/65/398644165.db2.gz	QRKHERUHGJPIGD-HNNXBMFYSA-N	0	3	301.438	2.878	20	30		DFEDHN
C=CCc1cc(CN[C@H]2CCC[C@H]2C(=O)OC)cc(OC)c1O	ZINC000590658034	398646637	/nfs/dbraw/zinc/64/66/37/398646637.db2.gz	RNLXIAGLCVWRND-CABCVRRESA-N	0	3	319.401	2.561	20	30		DFEDHN
C=CCc1cc(CN(C)[C@@H](CO)C(C)(C)C)cc(OC)c1O	ZINC000093821933	398647142	/nfs/dbraw/zinc/64/71/42/398647142.db2.gz	QMTKCASBEVUASY-INIZCTEOSA-N	0	3	307.434	2.968	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ncccc1F)C(C)C	ZINC000281045306	334971706	/nfs/dbraw/zinc/97/17/06/334971706.db2.gz	XNZFGGPGGSPMJN-KRWDZBQOSA-N	0	3	319.424	2.578	20	30		DFEDHN
N#CC1(C(=O)N2CCC[C@@H](N3CCCCC3)C2)CCCCC1	ZINC000369098507	398653062	/nfs/dbraw/zinc/65/30/62/398653062.db2.gz	RGAUQEXKDDHIDP-MRXNPFEDSA-N	0	3	303.450	2.937	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1Cl	ZINC000171886694	198001420	/nfs/dbraw/zinc/00/14/20/198001420.db2.gz	LEFNCTKEELNCSP-CYBMUJFWSA-N	0	3	304.781	2.524	20	30		DFEDHN
CN(C)[C@H](CNC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000096703321	398661431	/nfs/dbraw/zinc/66/14/31/398661431.db2.gz	ADUYQWBHTYMNCC-QGZVFWFLSA-N	0	3	308.385	2.983	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1	ZINC000597568895	398662132	/nfs/dbraw/zinc/66/21/32/398662132.db2.gz	RHLRDVDMXXMDOR-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]2CCCCN2C1=O	ZINC000590780422	398672829	/nfs/dbraw/zinc/67/28/29/398672829.db2.gz	ZOGUFONSOXUDFE-BPQIPLTHSA-N	0	3	309.413	2.679	20	30		DFEDHN
C[C@H](CC#N)C(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000597646909	398673527	/nfs/dbraw/zinc/67/35/27/398673527.db2.gz	HKBLKCRAMVJDBO-APWZRJJASA-N	0	3	311.429	2.661	20	30		DFEDHN
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597652168	398674531	/nfs/dbraw/zinc/67/45/31/398674531.db2.gz	OIIHQUSWKGYWMS-ZBEGNZNMSA-N	0	3	319.355	2.535	20	30		DFEDHN
CC[C@H](C#N)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000398180196	398682565	/nfs/dbraw/zinc/68/25/65/398682565.db2.gz	NWYLLUUHXORVAY-IAGOWNOFSA-N	0	3	301.434	2.809	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000173473032	198218678	/nfs/dbraw/zinc/21/86/78/198218678.db2.gz	ZZUQKWQICFOVER-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc3ccn(C)c3c2)CC1	ZINC000173816656	198256148	/nfs/dbraw/zinc/25/61/48/198256148.db2.gz	GRDPWZBWCYONHD-UHFFFAOYSA-N	0	3	312.417	2.950	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(C[C@H](O)c2ccccc2)CC1	ZINC000046087056	398695698	/nfs/dbraw/zinc/69/56/98/398695698.db2.gz	RVQKHIHRLCEYTQ-FQEVSTJZSA-N	0	3	321.424	2.804	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccsc2)CC1	ZINC000106276071	398695889	/nfs/dbraw/zinc/69/58/89/398695889.db2.gz	UTNTVOQYJYOYFO-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21	ZINC000593866818	398698654	/nfs/dbraw/zinc/69/86/54/398698654.db2.gz	PRWRWBRQCGLRMX-BYCMXARLSA-N	0	3	314.385	2.833	20	30		DFEDHN
CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C)c2cccc(C#N)c2)C1	ZINC000590927905	398702297	/nfs/dbraw/zinc/70/22/97/398702297.db2.gz	JXNBRCYINGLTNC-RHSMWYFYSA-N	0	3	314.433	2.743	20	30		DFEDHN
N#CC1(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1	ZINC000597828496	398702667	/nfs/dbraw/zinc/70/26/67/398702667.db2.gz	IXVUHJAUVBUXAL-CVEARBPZSA-N	0	3	303.450	2.984	20	30		DFEDHN
N#CC1(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1	ZINC000597828499	398702724	/nfs/dbraw/zinc/70/27/24/398702724.db2.gz	IXVUHJAUVBUXAL-JKSUJKDBSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@H](NC(=O)NCCN1CCCC[C@H]1C)c1ccc(C#N)cc1	ZINC000046373220	398705161	/nfs/dbraw/zinc/70/51/61/398705161.db2.gz	WEZGUTCXCNFBOE-CABCVRRESA-N	0	3	314.433	2.793	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCc2oc(-c3ccccc3)cc2C1	ZINC000593912154	398703110	/nfs/dbraw/zinc/70/31/10/398703110.db2.gz	BSDICQRHEKUDTR-INIZCTEOSA-N	0	3	323.396	2.852	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)nc1	ZINC000107540958	398703395	/nfs/dbraw/zinc/70/33/95/398703395.db2.gz	YVLUURFBGMASPB-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)CCCCC#N)CC1	ZINC000593957630	398707965	/nfs/dbraw/zinc/70/79/65/398707965.db2.gz	OXABBJJQLJLWFC-UHFFFAOYSA-N	0	3	303.406	2.786	20	30		DFEDHN
CO[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000597869923	398708555	/nfs/dbraw/zinc/70/85/55/398708555.db2.gz	JLSLFFIRVXKYTI-SJORKVTESA-N	0	3	300.402	2.786	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2cccc(C)c2Cl)CC1	ZINC000277097199	213291293	/nfs/dbraw/zinc/29/12/93/213291293.db2.gz	GVHGSGRWYJMMON-UHFFFAOYSA-N	0	3	306.837	2.958	20	30		DFEDHN
CC(C)[C@H](C(=O)NCCc1ccc(C#N)cc1)N1CCCCC1	ZINC000597891136	398713567	/nfs/dbraw/zinc/71/35/67/398713567.db2.gz	KJWDKVCCGVCQAK-GOSISDBHSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1	ZINC000593984450	398713921	/nfs/dbraw/zinc/71/39/21/398713921.db2.gz	YPMCZIUGZDJOFM-RVKKMQEKSA-N	0	3	313.445	2.678	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CC1(N(C)C)CCC1	ZINC000594010960	398720461	/nfs/dbraw/zinc/72/04/61/398720461.db2.gz	ZIGCLUQCAFGQHC-OAHLLOKOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCC(C)(C)N1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000594021930	398723761	/nfs/dbraw/zinc/72/37/61/398723761.db2.gz	ZZNIKZUIHKLOIM-UHFFFAOYSA-N	0	3	301.434	2.743	20	30		DFEDHN
C=CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C	ZINC000591093830	398725695	/nfs/dbraw/zinc/72/56/95/398725695.db2.gz	SHQRZLQCUFMODF-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
CC(C)OCC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1	ZINC000594033702	398726694	/nfs/dbraw/zinc/72/66/94/398726694.db2.gz	YKWXWTGJXQYISN-QGZVFWFLSA-N	0	3	302.418	2.703	20	30		DFEDHN
C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1	ZINC000594040945	398729125	/nfs/dbraw/zinc/72/91/25/398729125.db2.gz	HWKAPBVSFRVRAP-NHYWBVRUSA-N	0	3	321.371	2.888	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCCO1	ZINC000594042980	398729851	/nfs/dbraw/zinc/72/98/51/398729851.db2.gz	KZZDQKPBINPCPI-GJZGRUSLSA-N	0	3	319.405	2.644	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000597997996	398735838	/nfs/dbraw/zinc/73/58/38/398735838.db2.gz	KOZHKNNPVXROJL-SNVBAGLBSA-N	0	3	312.200	2.802	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000594071858	398737638	/nfs/dbraw/zinc/73/76/38/398737638.db2.gz	CFKVEZKZNHZKJD-CVEARBPZSA-N	0	3	316.380	2.836	20	30		DFEDHN
C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cscn1	ZINC000598015007	398737699	/nfs/dbraw/zinc/73/76/99/398737699.db2.gz	QAYDVEAJKGXVKH-BXUZGUMPSA-N	0	3	310.382	2.574	20	30		DFEDHN
C[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1CCO	ZINC000598066259	398746567	/nfs/dbraw/zinc/74/65/67/398746567.db2.gz	CEUVXJCWUPDLAB-BPQIPLTHSA-N	0	3	314.429	2.768	20	30		DFEDHN
C[C@@H](NC(=O)NCc1ccc2c(c1)CNC2)c1cccc(C#N)c1	ZINC000591353771	398751528	/nfs/dbraw/zinc/75/15/28/398751528.db2.gz	OFHGWPMTVDIRIU-CYBMUJFWSA-N	0	3	320.396	2.722	20	30		DFEDHN
C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1	ZINC000591377347	398754566	/nfs/dbraw/zinc/75/45/66/398754566.db2.gz	PJPYKSBPBZUKEF-IVMMDQJWSA-N	0	3	315.442	2.537	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1CC)C(C)C	ZINC000115799838	398755909	/nfs/dbraw/zinc/75/59/09/398755909.db2.gz	ABEPNWKFMRFOHE-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)s1	ZINC000364449585	283142462	/nfs/dbraw/zinc/14/24/62/283142462.db2.gz	RVODXOSNAPZROU-QGZVFWFLSA-N	0	3	309.394	2.716	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC12CCCC2	ZINC000594197486	398763273	/nfs/dbraw/zinc/76/32/73/398763273.db2.gz	OQHMOLIVJXMJKN-VKJFTORMSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC(C)(CNC(=O)NCC#Cc1ccccc1)N1CCCCC1	ZINC000047911514	398763756	/nfs/dbraw/zinc/76/37/56/398763756.db2.gz	CZKVAMWSJYQHRQ-UHFFFAOYSA-N	0	3	313.445	2.602	20	30		DFEDHN
CC(C)(C)OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000598185650	398765359	/nfs/dbraw/zinc/76/53/59/398765359.db2.gz	OTJOIRPNPCXYTJ-MRXNPFEDSA-N	0	3	313.401	2.562	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000598193990	398767040	/nfs/dbraw/zinc/76/70/40/398767040.db2.gz	CTXFFTUVGCNONS-IEBWSBKVSA-N	0	3	313.445	2.702	20	30		DFEDHN
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](N)CCCC#N	ZINC000591592828	398774686	/nfs/dbraw/zinc/77/46/86/398774686.db2.gz	UKBVFUVKEOBTEW-ZDUSSCGKSA-N	0	3	313.323	2.685	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc(COc3ccccc3)cc2)CCNC1	ZINC000591634049	398777484	/nfs/dbraw/zinc/77/74/84/398777484.db2.gz	GNVFMCXAGVBNHN-LJQANCHMSA-N	0	3	321.380	2.707	20	30		DFEDHN
Cc1cccc(-c2ccc(CNC(=O)[C@@]3(C#N)CCNC3)cc2)c1	ZINC000591615338	398776411	/nfs/dbraw/zinc/77/64/11/398776411.db2.gz	FBMILSYRTUIKNR-HXUWFJFHSA-N	0	3	319.408	2.782	20	30		DFEDHN
CC(C)CN(CCN(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594283862	398778947	/nfs/dbraw/zinc/77/89/47/398778947.db2.gz	MVSREZNXSJDBDP-MRXNPFEDSA-N	0	3	315.461	2.783	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000598264833	398780438	/nfs/dbraw/zinc/78/04/38/398780438.db2.gz	QVGXTWUAMPKJET-GFCCVEGCSA-N	0	3	321.371	2.687	20	30		DFEDHN
N#CCC1(CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000591764423	398785425	/nfs/dbraw/zinc/78/54/25/398785425.db2.gz	PJOQRLAYNWXZOO-CQSZACIVSA-N	0	3	312.335	2.892	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNCc2ccc(C3CC3)cc2)cc1	ZINC000591764126	398785460	/nfs/dbraw/zinc/78/54/60/398785460.db2.gz	QSUDVYOLSYXKAU-IBGZPJMESA-N	0	3	322.408	2.965	20	30		DFEDHN
Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1C	ZINC000591771538	398786851	/nfs/dbraw/zinc/78/68/51/398786851.db2.gz	RXSINGINFZFANS-GVDBMIGSSA-N	0	3	302.418	2.633	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CNCC(C)(C)CC#N	ZINC000591770200	398786137	/nfs/dbraw/zinc/78/61/37/398786137.db2.gz	GNRJIAAEBUAAHW-MRXNPFEDSA-N	0	3	302.418	2.684	20	30		DFEDHN
CCCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1	ZINC000594374021	398789036	/nfs/dbraw/zinc/78/90/36/398789036.db2.gz	LIHNYRYZMRHEGB-YJBOKZPZSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCC(=O)Nc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000049406727	398795253	/nfs/dbraw/zinc/79/52/53/398795253.db2.gz	STPYXEZPXHSQTJ-HNNXBMFYSA-N	0	3	322.368	2.932	20	30		DFEDHN
COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594424902	398797759	/nfs/dbraw/zinc/79/77/59/398797759.db2.gz	DMFGZOYNNZHDSF-UKRRQHHQSA-N	0	3	303.406	2.592	20	30		DFEDHN
CCCCCc1nnc(NC(=O)[C@@H](N)CCCCC#N)s1	ZINC000594425518	398797795	/nfs/dbraw/zinc/79/77/95/398797795.db2.gz	KJXQHBLEEQRPPW-NSHDSACASA-N	0	3	309.439	2.621	20	30		DFEDHN
CC(C)COc1ccccc1CNC(=O)[C@@H](N)CCCCC#N	ZINC000594425649	398797939	/nfs/dbraw/zinc/79/79/39/398797939.db2.gz	AYAMAZUGLPKXAY-INIZCTEOSA-N	0	3	317.433	2.749	20	30		DFEDHN
CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(OC)cc1	ZINC000594424920	398798013	/nfs/dbraw/zinc/79/80/13/398798013.db2.gz	DQRGYPFXQBAILD-CVEARBPZSA-N	0	3	303.406	2.674	20	30		DFEDHN
Cc1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2s1	ZINC000594425159	398798069	/nfs/dbraw/zinc/79/80/69/398798069.db2.gz	KFYCQVCRHJDJFP-GFCCVEGCSA-N	0	3	302.403	2.955	20	30		DFEDHN
CCCOc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594425963	398798104	/nfs/dbraw/zinc/79/81/04/398798104.db2.gz	BRVNBGHQGAOXEH-INIZCTEOSA-N	0	3	303.406	2.503	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1	ZINC000594428386	398798566	/nfs/dbraw/zinc/79/85/66/398798566.db2.gz	YPYBPJJIBSUGFR-INIZCTEOSA-N	0	3	303.381	2.728	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000591868973	398798145	/nfs/dbraw/zinc/79/81/45/398798145.db2.gz	BERPBDXOMGLAIK-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000591868971	398798152	/nfs/dbraw/zinc/79/81/52/398798152.db2.gz	BERPBDXOMGLAIK-RHSMWYFYSA-N	0	3	314.433	2.745	20	30		DFEDHN
CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCCC#N	ZINC000594426982	398798826	/nfs/dbraw/zinc/79/88/26/398798826.db2.gz	UFGWHYQNILEGDW-HNNXBMFYSA-N	0	3	323.824	2.588	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCCSc1ccccc1	ZINC000594427105	398798865	/nfs/dbraw/zinc/79/88/65/398798865.db2.gz	USYVLQVZBWHTBS-OAHLLOKOSA-N	0	3	305.447	2.696	20	30		DFEDHN
COCCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1ccccc1	ZINC000594428138	398798943	/nfs/dbraw/zinc/79/89/43/398798943.db2.gz	JZHWOXPLUZLWOD-WBVHZDCISA-N	0	3	317.433	2.634	20	30		DFEDHN
CC[C@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594428463	398798992	/nfs/dbraw/zinc/79/89/92/398798992.db2.gz	MGASEUMAHIAJIU-KGLIPLIRSA-N	0	3	305.447	2.995	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1csc2ccccc12	ZINC000594429676	398799384	/nfs/dbraw/zinc/79/93/84/398799384.db2.gz	VMDHDUYGQINXRX-CQSZACIVSA-N	0	3	301.415	2.929	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCSc2c(F)cccc21	ZINC000594429419	398798770	/nfs/dbraw/zinc/79/87/70/398798770.db2.gz	TXPXALZQQBAKQB-ZIAGYGMSSA-N	0	3	321.421	2.890	20	30		DFEDHN
Cc1ncc(-c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)o1	ZINC000594430267	398799820	/nfs/dbraw/zinc/79/98/20/398799820.db2.gz	YCACDXWXTKZQJE-HNNXBMFYSA-N	0	3	312.373	3.000	20	30		DFEDHN
Cc1nc(CC(C)C)c(NC(=O)[C@H](N)CCCCC#N)s1	ZINC000594432965	398800212	/nfs/dbraw/zinc/80/02/12/398800212.db2.gz	HZSQGMRJEHVHNB-GFCCVEGCSA-N	0	3	308.451	3.000	20	30		DFEDHN
Cc1cnc(-c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)o1	ZINC000594433191	398800685	/nfs/dbraw/zinc/80/06/85/398800685.db2.gz	CYKGOAPOIVBYFS-OAHLLOKOSA-N	0	3	312.373	3.000	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccccc1F	ZINC000594433226	398800698	/nfs/dbraw/zinc/80/06/98/398800698.db2.gz	MJJAMQZAJBODFP-HIFRSBDPSA-N	0	3	321.396	2.511	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(F)cc1OC(F)F	ZINC000594433110	398800733	/nfs/dbraw/zinc/80/07/33/398800733.db2.gz	LRRKLFFNKQJNQX-JTQLQIEISA-N	0	3	315.295	2.777	20	30		DFEDHN
Cn1nc(C2CCCCC2)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594432482	398800401	/nfs/dbraw/zinc/80/04/01/398800401.db2.gz	BCFXSMFYGMXNJS-CQSZACIVSA-N	0	3	317.437	2.818	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccc(Cl)cc1	ZINC000594434193	398801410	/nfs/dbraw/zinc/80/14/10/398801410.db2.gz	XRRRFCMTIXOXLM-DOMZBBRYSA-N	0	3	323.824	2.635	20	30		DFEDHN
Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c(C)c1	ZINC000594434261	398801423	/nfs/dbraw/zinc/80/14/23/398801423.db2.gz	LYVVMEPUHFDZNE-WBVHZDCISA-N	0	3	301.434	2.762	20	30		DFEDHN
Cc1ccc(C[C@H](C)NC(=O)[C@H](N)CCCCC#N)c(C)c1	ZINC000594434258	398801444	/nfs/dbraw/zinc/80/14/44/398801444.db2.gz	LYVVMEPUHFDZNE-DOTOQJQBSA-N	0	3	301.434	2.762	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000594433962	398801562	/nfs/dbraw/zinc/80/15/62/398801562.db2.gz	VHPCKBHLFMFHJQ-HNNXBMFYSA-N	0	3	319.836	2.899	20	30		DFEDHN
Cc1ccc(C[C@@H](C)NC(=O)[C@H](N)CCCCC#N)c(C)c1	ZINC000594434259	398801574	/nfs/dbraw/zinc/80/15/74/398801574.db2.gz	LYVVMEPUHFDZNE-NVXWUHKLSA-N	0	3	301.434	2.762	20	30		DFEDHN
CC(C)(O)C(C)(C)NCc1cc(C#N)ccc1Br	ZINC000276834548	213122372	/nfs/dbraw/zinc/12/23/72/213122372.db2.gz	BNRWCWFOONCDOF-UHFFFAOYSA-N	0	3	311.223	2.960	20	30		DFEDHN
Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](N)CCCCC#N)n1	ZINC000594437569	398802246	/nfs/dbraw/zinc/80/22/46/398802246.db2.gz	OOPHEDFCRMPPKT-AWEZNQCLSA-N	0	3	311.389	2.735	20	30		DFEDHN
Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)s1	ZINC000594436720	398802031	/nfs/dbraw/zinc/80/20/31/398802031.db2.gz	FXJHEWRBSIVGQX-AAEUAGOBSA-N	0	3	308.451	2.691	20	30		DFEDHN
COc1cccc(C(C)(C)CNC(=O)[C@H](N)CCCCC#N)c1	ZINC000594436941	398802393	/nfs/dbraw/zinc/80/23/93/398802393.db2.gz	KZPZTYHCDFIOJB-MRXNPFEDSA-N	0	3	317.433	2.500	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)c1cccnc1	ZINC000594438606	398802520	/nfs/dbraw/zinc/80/25/20/398802520.db2.gz	OSOYXSWGSCJKLI-ROUUACIJSA-N	0	3	322.412	2.698	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1F	ZINC000594439835	398803290	/nfs/dbraw/zinc/80/32/90/398803290.db2.gz	REDOTQDRBPBGPB-HNNXBMFYSA-N	0	3	305.397	2.631	20	30		DFEDHN
Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](N)CCCCC#N)n1	ZINC000594439787	398803410	/nfs/dbraw/zinc/80/34/10/398803410.db2.gz	ZUCYYXAWPKUPPU-KBPBESRZSA-N	0	3	320.462	2.916	20	30		DFEDHN
C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)c1ccccc1	ZINC000594439324	398803476	/nfs/dbraw/zinc/80/34/76/398803476.db2.gz	PZDIHHIRNNBBQB-HOCLYGCPSA-N	0	3	301.434	2.880	20	30		DFEDHN
CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1cccc(F)c1	ZINC000594443444	398804260	/nfs/dbraw/zinc/80/42/60/398804260.db2.gz	HTGPEROFSYSMGZ-HNNXBMFYSA-N	0	3	305.397	2.631	20	30		DFEDHN
C[C@H]1c2c(F)cccc2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594444010	398804268	/nfs/dbraw/zinc/80/42/68/398804268.db2.gz	JBTNQVTUPJYCHR-SWLSCSKDSA-N	0	3	303.381	2.683	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(OCC2CC2)cc1	ZINC000594446063	398804499	/nfs/dbraw/zinc/80/44/99/398804499.db2.gz	PLAGHYOAOROPJK-INIZCTEOSA-N	0	3	301.390	2.825	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000594445671	398804528	/nfs/dbraw/zinc/80/45/28/398804528.db2.gz	JTYYJHWFGKUPGN-XQQFMLRXSA-N	0	3	319.371	2.883	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)NCCN1CCCC[C@H]1C	ZINC000050091701	398803700	/nfs/dbraw/zinc/80/37/00/398803700.db2.gz	FMCWYCDDXWLEOJ-CYBMUJFWSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)c1ccccn1	ZINC000594445445	398804882	/nfs/dbraw/zinc/80/48/82/398804882.db2.gz	FRGRWTHLCBVHSD-FUHWJXTLSA-N	0	3	322.412	2.698	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000594450240	398805179	/nfs/dbraw/zinc/80/51/79/398805179.db2.gz	VPAPXBUYQZRAQR-QJPTWQEYSA-N	0	3	305.344	2.635	20	30		DFEDHN
C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)c2c(O)cccc21	ZINC000594456184	398806387	/nfs/dbraw/zinc/80/63/87/398806387.db2.gz	KZCMLCDGFZPTFL-TZMCWYRMSA-N	0	3	301.390	2.644	20	30		DFEDHN
Cc1ccccc1C[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N	ZINC000594457276	398806449	/nfs/dbraw/zinc/80/64/49/398806449.db2.gz	XWFPOZGJYOVXFW-DOTOQJQBSA-N	0	3	301.434	2.796	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc(C(F)(F)F)cs1	ZINC000594463948	398807021	/nfs/dbraw/zinc/80/70/21/398807021.db2.gz	MBRUYXJZCFPBPD-ZETCQYMHSA-N	0	3	306.313	2.512	20	30		DFEDHN
CCc1c(NC(=O)[C@@H](N)CCCCC#N)onc1C(F)(F)F	ZINC000594468022	398807103	/nfs/dbraw/zinc/80/71/03/398807103.db2.gz	IJDIAKCDHZOXPC-VIFPVBQESA-N	0	3	318.299	2.606	20	30		DFEDHN
C[C@H](CO[C@@H]1CCOC1)NCc1ccc(C(C)(C)C#N)cc1	ZINC000594497098	398810217	/nfs/dbraw/zinc/81/02/17/398810217.db2.gz	BFTLJECEBLNFKY-RHSMWYFYSA-N	0	3	302.418	2.771	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCC(=O)N2CCCCC2)cc1	ZINC000594495169	398809486	/nfs/dbraw/zinc/80/94/86/398809486.db2.gz	MSLAAPIVVPKVBO-UHFFFAOYSA-N	0	3	313.445	2.980	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](C3OCCO3)C2)c1	ZINC000179368789	199023429	/nfs/dbraw/zinc/02/34/29/199023429.db2.gz	RHWJEBCQYMVQBK-INIZCTEOSA-N	0	3	303.402	2.836	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](C3OCCO3)C2)c1	ZINC000179368802	199023776	/nfs/dbraw/zinc/02/37/76/199023776.db2.gz	RHWJEBCQYMVQBK-MRXNPFEDSA-N	0	3	303.402	2.836	20	30		DFEDHN
C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C1(S(C)(=O)=O)CC1	ZINC000594506426	398812087	/nfs/dbraw/zinc/81/20/87/398812087.db2.gz	QRBFESUHWKZMNR-ZDUSSCGKSA-N	0	3	320.458	2.543	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(F)c2F)CC1	ZINC000179316211	199014039	/nfs/dbraw/zinc/01/40/39/199014039.db2.gz	JTHUIDDGIVOODN-LBPRGKRZSA-N	0	3	323.387	2.975	20	30		DFEDHN
C[C@@H](NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1	ZINC000594508948	398812809	/nfs/dbraw/zinc/81/28/09/398812809.db2.gz	FOSMSQJNELHREW-APIJFGDWSA-N	0	3	319.424	2.846	20	30		DFEDHN
C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594509565	398812873	/nfs/dbraw/zinc/81/28/73/398812873.db2.gz	JSUDFRQFSFZYTC-KBXIAJHMSA-N	0	3	319.424	2.846	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN[C@@H](CCCO)c2ccccc2)cc1	ZINC000179761154	199077060	/nfs/dbraw/zinc/07/70/60/199077060.db2.gz	FIVCOYLFNBXTAA-RBUKOAKNSA-N	0	3	310.397	2.695	20	30		DFEDHN
N#Cc1cccc(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-]	ZINC000594598037	398827699	/nfs/dbraw/zinc/82/76/99/398827699.db2.gz	GBFSJGAWBNBQTE-UKRRQHHQSA-N	0	3	300.362	2.895	20	30		DFEDHN
N#Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1	ZINC000594596701	398826786	/nfs/dbraw/zinc/82/67/86/398826786.db2.gz	BGFZUIHTVSFARW-DZGCQCFKSA-N	0	3	300.362	2.895	20	30		DFEDHN
Cc1noc(C)c1[C@@H](C)CNCc1cnc2ccc(C#N)cn12	ZINC000128551580	398830116	/nfs/dbraw/zinc/83/01/16/398830116.db2.gz	RPAQMGKPNABHMF-NSHDSACASA-N	0	3	309.373	2.704	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)[C@@H]1OC	ZINC000594612610	398833346	/nfs/dbraw/zinc/83/33/46/398833346.db2.gz	PEABNLSOUMDCNM-ZACQAIPSSA-N	0	3	302.418	2.770	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC(C)(C)C#N	ZINC000598585621	398835804	/nfs/dbraw/zinc/83/58/04/398835804.db2.gz	HETYEEDTNSIZQG-MRXNPFEDSA-N	0	3	302.418	2.984	20	30		DFEDHN
C=CCNC(=O)CN[C@H](CC)c1cccc(Br)c1	ZINC000180037455	199110308	/nfs/dbraw/zinc/11/03/08/199110308.db2.gz	NHGNHABXUQLGFG-CYBMUJFWSA-N	0	3	311.223	2.792	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CC=C(c2ccc(O)cc2)CC1	ZINC000598586904	398836853	/nfs/dbraw/zinc/83/68/53/398836853.db2.gz	KRDNHAVBYVNPOQ-QGZVFWFLSA-N	0	3	300.402	2.782	20	30		DFEDHN
N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)c(F)c1	ZINC000594649218	398837250	/nfs/dbraw/zinc/83/72/50/398837250.db2.gz	GNPGAYZUUHSUNF-UHFFFAOYSA-N	0	3	313.380	2.759	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)n1	ZINC000598591800	398837598	/nfs/dbraw/zinc/83/75/98/398837598.db2.gz	ZZYHDOZNKCYDEB-ZIAGYGMSSA-N	0	3	307.463	2.932	20	30		DFEDHN
COc1ccc(OC)c([C@H](C)NC[C@H](O)CC(C)(C)C#N)c1	ZINC000598599561	398839271	/nfs/dbraw/zinc/83/92/71/398839271.db2.gz	JVGOEAJEJFIZHX-QWHCGFSZSA-N	0	3	306.406	2.655	20	30		DFEDHN
COc1cc(F)c([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602414	398839897	/nfs/dbraw/zinc/83/98/97/398839897.db2.gz	NRDRAXALEGQYJU-NEPJUHHUSA-N	0	3	324.396	2.794	20	30		DFEDHN
COc1cc(C)c([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602304	398840071	/nfs/dbraw/zinc/84/00/71/398840071.db2.gz	MXWHVYWGYRDCRG-ZIAGYGMSSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@@]2(C1)OCc1ccccc12	ZINC000598606360	398840760	/nfs/dbraw/zinc/84/07/60/398840760.db2.gz	FAWRZYYYCLSEHO-APWZRJJASA-N	0	3	314.429	2.809	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@H](Nc2ccccc2)C1	ZINC000598597756	398838427	/nfs/dbraw/zinc/83/84/27/398838427.db2.gz	HOFACVJLAIIYPF-IRXDYDNUSA-N	0	3	301.434	2.864	20	30		DFEDHN
N#CC1(Cn2cc(CCN3CCCCC3)nn2)CCCCC1	ZINC000594657826	398838870	/nfs/dbraw/zinc/83/88/70/398838870.db2.gz	FWTWEZZQPWAVFT-UHFFFAOYSA-N	0	3	301.438	2.781	20	30		DFEDHN
COc1cccc(C2(NC[C@@H](O)CC(C)(C)C#N)CCC2)c1	ZINC000598628011	398843497	/nfs/dbraw/zinc/84/34/97/398843497.db2.gz	KBULSRBHASQHOB-HNNXBMFYSA-N	0	3	302.418	2.965	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OC(F)(F)F	ZINC000598699135	398857207	/nfs/dbraw/zinc/85/72/07/398857207.db2.gz	BNMRBFHCLUPAPM-GFCCVEGCSA-N	0	3	316.323	2.976	20	30		DFEDHN
C[C@H]1CC[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)N1C	ZINC000598703207	398858434	/nfs/dbraw/zinc/85/84/34/398858434.db2.gz	RIJXQQNTHXEGBF-LRDDRELGSA-N	0	3	317.408	2.574	20	30		DFEDHN
CCOc1ccc2c(c1)[C@H](NC[C@H](O)CC(C)(C)C#N)CCO2	ZINC000598724410	398861927	/nfs/dbraw/zinc/86/19/27/398861927.db2.gz	OSHQMGNNEXYIAA-CZUORRHYSA-N	0	3	318.417	2.799	20	30		DFEDHN
CCOc1ccc2c(c1)[C@H](NC[C@@H](O)CC(C)(C)C#N)CCO2	ZINC000598724412	398862035	/nfs/dbraw/zinc/86/20/35/398862035.db2.gz	OSHQMGNNEXYIAA-XJKSGUPXSA-N	0	3	318.417	2.799	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC[C@H](O)CC(C)(C)C#N)c1ccco1	ZINC000598726542	398862580	/nfs/dbraw/zinc/86/25/80/398862580.db2.gz	TUCQARSNNZMRLG-RRFJBIMHSA-N	0	3	307.438	2.599	20	30		DFEDHN
CO[C@@H](CNC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598718213	398860496	/nfs/dbraw/zinc/86/04/96/398860496.db2.gz	CTEBLRFQBOGHGW-CABCVRRESA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1	ZINC000598715435	398860566	/nfs/dbraw/zinc/86/05/66/398860566.db2.gz	QKFYTESLWDVNRC-HNNXBMFYSA-N	0	3	324.346	2.947	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccc1)[C@@H]1CCCO1	ZINC000598720473	398861653	/nfs/dbraw/zinc/86/16/53/398861653.db2.gz	NKLWAPWQOIZBCK-YESZJQIVSA-N	0	3	302.418	2.797	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2NCc2ccc(C#N)cc2)cn1	ZINC000594948859	398879648	/nfs/dbraw/zinc/87/96/48/398879648.db2.gz	CNILGFCSIBFLSM-MSOLQXFVSA-N	0	3	310.401	2.955	20	30		DFEDHN
CO[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1	ZINC000594949645	398879868	/nfs/dbraw/zinc/87/98/68/398879868.db2.gz	GAUIQAOCVRVLKY-WBVHZDCISA-N	0	3	302.418	2.629	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3[C@H]4Cc5cc(F)ccc5[C@@H]34)n2c1	ZINC000594994565	398888697	/nfs/dbraw/zinc/88/86/97/398888697.db2.gz	INNUWOZMNBXYPE-QXAKKESOSA-N	0	3	318.355	2.773	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N2CCc3nccc(N)c3C2)n1	ZINC000598941326	398894628	/nfs/dbraw/zinc/89/46/28/398894628.db2.gz	CCVSXEVBNDQPGX-UHFFFAOYSA-N	0	3	307.401	2.791	20	30		DFEDHN
CO[C@@H]1CCC[C@H]([C@@H](CO)N[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000595066394	398901128	/nfs/dbraw/zinc/90/11/28/398901128.db2.gz	WTIFUTJQPFHQGS-MJXUCMMTSA-N	0	3	320.408	2.914	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1	ZINC000077456856	398904702	/nfs/dbraw/zinc/90/47/02/398904702.db2.gz	XFVSRUCWENYRHZ-DOTOQJQBSA-N	0	3	323.458	2.697	20	30		DFEDHN
C[C@@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C#N)cc1F	ZINC000595105915	398906244	/nfs/dbraw/zinc/90/62/44/398906244.db2.gz	UHMCLRWDEJNCSP-FZKQIMNGSA-N	0	3	320.408	2.916	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1	ZINC000595259134	398913564	/nfs/dbraw/zinc/91/35/64/398913564.db2.gz	HXMDRXIMKWACSG-KGLIPLIRSA-N	0	3	323.343	2.823	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCNCC2CCCCC2)cc1	ZINC000147726930	398913587	/nfs/dbraw/zinc/91/35/87/398913587.db2.gz	AYRJXGSVBZZPDZ-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)CCSC)CC1	ZINC000077594108	398912593	/nfs/dbraw/zinc/91/25/93/398912593.db2.gz	IBQNVWMHUUZUCA-AWEZNQCLSA-N	0	3	313.511	2.810	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1	ZINC000595250526	398912745	/nfs/dbraw/zinc/91/27/45/398912745.db2.gz	OPUIYRKMBPYGGZ-GFCCVEGCSA-N	0	3	300.189	2.631	20	30		DFEDHN
N#CCCC[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1	ZINC000595267206	398914493	/nfs/dbraw/zinc/91/44/93/398914493.db2.gz	SCALSPVTWGTMGV-OAGGEKHMSA-N	0	3	318.396	2.502	20	30		DFEDHN
CC[C@@H](CC(F)F)CN1CCN(c2cc(C#N)ccn2)CC1	ZINC000595290928	398916868	/nfs/dbraw/zinc/91/68/68/398916868.db2.gz	NVGIWLAIBHBLBS-ZDUSSCGKSA-N	0	3	308.376	2.757	20	30		DFEDHN
CCCN(CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccc(C#N)cc1	ZINC000595289530	398917101	/nfs/dbraw/zinc/91/71/01/398917101.db2.gz	DSKORCJUXANTFV-IRXDYDNUSA-N	0	3	315.461	2.879	20	30		DFEDHN
N#Cc1ccc(CCN2CCNC(=O)C[C@@H]2c2ccccc2)cc1	ZINC000595301619	398919423	/nfs/dbraw/zinc/91/94/23/398919423.db2.gz	LYPPGVTWZNNWQD-LJQANCHMSA-N	0	3	319.408	2.664	20	30		DFEDHN
CC1(C)C[C@H](N2CCC(Oc3cccc(C#N)c3)CC2)CO1	ZINC000595303339	398919853	/nfs/dbraw/zinc/91/98/53/398919853.db2.gz	OYPGKLACQMNDNP-HNNXBMFYSA-N	0	3	300.402	2.969	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H]1CCN1C1CCCC1	ZINC000599096825	398920919	/nfs/dbraw/zinc/92/09/19/398920919.db2.gz	WSNOLKQACOECFZ-OAHLLOKOSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC(F)(F)F	ZINC000188850797	200313018	/nfs/dbraw/zinc/31/30/18/200313018.db2.gz	RDXLTOCLGMSKGC-ZDUSSCGKSA-N	0	3	303.324	2.997	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC([C@H]3CCCO3)CC2)c1	ZINC000189124179	200352818	/nfs/dbraw/zinc/35/28/18/200352818.db2.gz	TVNZPESODOERTL-GOSISDBHSA-N	0	3	300.402	2.828	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](c2ccc(OC)cc2)C2CC2)C1=O	ZINC000282078728	334989237	/nfs/dbraw/zinc/98/92/37/334989237.db2.gz	UFMQXEJVLWIMJI-SJORKVTESA-N	0	3	300.402	2.523	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N2CCC[C@H](CC#N)C2)c1	ZINC000595446894	398940518	/nfs/dbraw/zinc/94/05/18/398940518.db2.gz	FAIUGJAHLIANCM-OAHLLOKOSA-N	0	3	314.433	2.583	20	30		DFEDHN
C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599251809	398943314	/nfs/dbraw/zinc/94/33/14/398943314.db2.gz	YRUYNUHWADUJOJ-PBHICJAKSA-N	0	3	320.408	2.890	20	30		DFEDHN
CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)CC1(C#N)CC1	ZINC000599253004	398943361	/nfs/dbraw/zinc/94/33/61/398943361.db2.gz	YVFFIXYPMIPOQS-ZDUSSCGKSA-N	0	3	310.344	2.775	20	30		DFEDHN
CCc1ccc([C@@H](C)NCC(=O)N(CC)C[C@H](C)C#N)cc1	ZINC000154934976	398944062	/nfs/dbraw/zinc/94/40/62/398944062.db2.gz	WGAYELLPHMJCNT-HUUCEWRRSA-N	0	3	301.434	2.908	20	30		DFEDHN
COc1cccc([C@H]2C[C@@H](O)CN2CCc2ccc(C#N)cc2)c1	ZINC000595472170	398945888	/nfs/dbraw/zinc/94/58/88/398945888.db2.gz	JCMGHCKEYBGSSF-UYAOXDASSA-N	0	3	322.408	2.917	20	30		DFEDHN
Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1	ZINC000599289568	398947917	/nfs/dbraw/zinc/94/79/17/398947917.db2.gz	VKRWEKBKNRWPFD-GOSISDBHSA-N	0	3	323.444	2.987	20	30		DFEDHN
COC(=O)CCCCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000599283609	398947940	/nfs/dbraw/zinc/94/79/40/398947940.db2.gz	ABNKAKBTQHUDCF-UHFFFAOYSA-N	0	3	316.401	2.745	20	30		DFEDHN
CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599278236	398947082	/nfs/dbraw/zinc/94/70/82/398947082.db2.gz	ZOYJEHIPWITGEE-QGZVFWFLSA-N	0	3	313.445	2.995	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1	ZINC000595504726	398951736	/nfs/dbraw/zinc/95/17/36/398951736.db2.gz	HZVXIBIEJAJDIQ-CABCVRRESA-N	0	3	313.511	2.715	20	30		DFEDHN
N#Cc1ccc(CCN(Cc2cccc(C(N)=O)c2)C2CC2)cc1	ZINC000595506921	398953026	/nfs/dbraw/zinc/95/30/26/398953026.db2.gz	OSHFMIJUANMKIK-UHFFFAOYSA-N	0	3	319.408	2.864	20	30		DFEDHN
C[C@H](c1ccco1)N(C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599341016	398956366	/nfs/dbraw/zinc/95/63/66/398956366.db2.gz	JCBLXQXRZNSHGF-GDBMZVCRSA-N	0	3	318.417	2.876	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1OC(F)F	ZINC000599347680	398957723	/nfs/dbraw/zinc/95/77/23/398957723.db2.gz	HVQASOVRMNHTTK-RYUDHWBXSA-N	0	3	310.344	2.993	20	30		DFEDHN
CC(C)[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)N1CCOCC1	ZINC000271923968	209327338	/nfs/dbraw/zinc/32/73/38/209327338.db2.gz	IQSUABJFDBQFKK-KDOFPFPSSA-N	0	3	319.424	2.705	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1	ZINC000599354815	398960259	/nfs/dbraw/zinc/96/02/59/398960259.db2.gz	RHUBBSREOWPBKS-HUUCEWRRSA-N	0	3	303.362	2.690	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000275848377	212569888	/nfs/dbraw/zinc/56/98/88/212569888.db2.gz	VWSQBIXIWHRJTJ-PKOBYXMFSA-N	0	3	318.461	2.943	20	30		DFEDHN
CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CCC[C@H]2C#N)CC1	ZINC000599417259	398977120	/nfs/dbraw/zinc/97/71/20/398977120.db2.gz	SXILGHPHHWSNET-QRHJNKNDSA-N	0	3	322.449	2.531	20	30		DFEDHN
COc1ccc(CN(C)C[C@H](O)CC2(C#N)CC2)cc1Cl	ZINC000599436255	398982603	/nfs/dbraw/zinc/98/26/03/398982603.db2.gz	GZDWXCLETFRBEB-CYBMUJFWSA-N	0	3	308.809	2.835	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(c3ccco3)CC2)CCOCC1	ZINC000599470446	398989277	/nfs/dbraw/zinc/98/92/77/398989277.db2.gz	RPYFAMVYDYTABQ-INIZCTEOSA-N	0	3	318.417	2.530	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000271854088	209269062	/nfs/dbraw/zinc/26/90/62/209269062.db2.gz	XHRPRKNGGWALCH-YOEHRIQHSA-N	0	3	302.418	2.791	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000595610468	398999438	/nfs/dbraw/zinc/99/94/38/398999438.db2.gz	ZGOYLKNZAOLVGY-PBHICJAKSA-N	0	3	322.836	2.843	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)cc2)CC1	ZINC000600202485	399002760	/nfs/dbraw/zinc/00/27/60/399002760.db2.gz	LBOCBLJTCYNATJ-JLHGSKIFSA-N	0	3	314.454	2.727	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)N2CCc3ccccc3C2)C1	ZINC000595623157	399006528	/nfs/dbraw/zinc/00/65/28/399006528.db2.gz	JHAOKRBLZXYQRE-INIZCTEOSA-N	0	3	311.429	2.587	20	30		DFEDHN
COc1cccc(NC(=O)CCN2CCC[C@@H](CC#N)C2)c1	ZINC000595621042	399006001	/nfs/dbraw/zinc/00/60/01/399006001.db2.gz	RMRICGRTELABCH-AWEZNQCLSA-N	0	3	301.390	2.649	20	30		DFEDHN
Cn1cc(CN2CC[C@@H](O)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000275442177	212334644	/nfs/dbraw/zinc/33/46/44/212334644.db2.gz	KMKNGJVALPDICL-QGZVFWFLSA-N	0	3	324.428	2.552	20	30		DFEDHN
CC(C)(NC[C@H](O)COc1ccccc1)c1cccc(C#N)c1	ZINC000595642165	399016389	/nfs/dbraw/zinc/01/63/89/399016389.db2.gz	PVHDMGQYNWEDLL-KRWDZBQOSA-N	0	3	310.397	2.823	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000595655489	399022065	/nfs/dbraw/zinc/02/20/65/399022065.db2.gz	FFABFXLMFPGRGY-CABCVRRESA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CC[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000595659972	399024928	/nfs/dbraw/zinc/02/49/28/399024928.db2.gz	OZBDQOXCEUNTKS-WMZOPIPTSA-N	0	3	309.413	2.952	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NCCCOc1ccc2c(c1)OCO2	ZINC000595693104	399037740	/nfs/dbraw/zinc/03/77/40/399037740.db2.gz	RVZLPRIZGJFNLT-ZFWWWQNUSA-N	0	3	302.374	2.856	20	30		DFEDHN
C#CCOc1ccccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1	ZINC000091960731	193133173	/nfs/dbraw/zinc/13/31/73/193133173.db2.gz	USQIWYQIWCCZTE-AEFFLSMTSA-N	0	3	309.413	2.978	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(OC)CC1)C(C)C	ZINC000079440224	399045406	/nfs/dbraw/zinc/04/54/06/399045406.db2.gz	HFAZEWIDQJSAAI-KRWDZBQOSA-N	0	3	323.481	2.505	20	30		DFEDHN
C[C@H](C#N)N(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000595708919	399048682	/nfs/dbraw/zinc/04/86/82/399048682.db2.gz	ALTVLNDBCCIKOL-APWZRJJASA-N	0	3	313.445	2.654	20	30		DFEDHN
C[C@@H](C#N)N(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000595708920	399048923	/nfs/dbraw/zinc/04/89/23/399048923.db2.gz	ALTVLNDBCCIKOL-LPHOPBHVSA-N	0	3	313.445	2.654	20	30		DFEDHN
COc1ccc([C@@H]2CCN(C[C@H](O)CC(C)(C)C#N)C2)cc1F	ZINC000599675796	399056381	/nfs/dbraw/zinc/05/63/81/399056381.db2.gz	OTOWDBQSYBRITC-HUUCEWRRSA-N	0	3	320.408	2.924	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000595730031	399058592	/nfs/dbraw/zinc/05/85/92/399058592.db2.gz	ZIOUVMKGVKALEU-DOTOQJQBSA-N	0	3	311.429	2.588	20	30		DFEDHN
N#CC1(CC(=O)NC[C@@H]2CCN2C2CCCC2)CCCCC1	ZINC000600471194	399058657	/nfs/dbraw/zinc/05/86/57/399058657.db2.gz	QVJBYIJSEGSTFV-INIZCTEOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C/C=C/C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000599690275	399066488	/nfs/dbraw/zinc/06/64/88/399066488.db2.gz	MRVRTBUOIBBPFE-ZMUQKWFASA-N	0	3	311.429	2.853	20	30		DFEDHN
COC(=O)C1C[C@H](C)N(CCOc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000599703467	399069691	/nfs/dbraw/zinc/06/96/91/399069691.db2.gz	BIGANERFKXEIGJ-KBPBESRZSA-N	0	3	316.401	2.599	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000271762773	209192243	/nfs/dbraw/zinc/19/22/43/209192243.db2.gz	MOTBWVIJUAZHRE-JSGCOSHPSA-N	0	3	309.406	2.690	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1	ZINC000092098518	193157225	/nfs/dbraw/zinc/15/72/25/193157225.db2.gz	WQCAUFZWPNJOQK-UHFFFAOYSA-N	0	3	324.428	2.592	20	30		DFEDHN
CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000275247891	212222523	/nfs/dbraw/zinc/22/25/23/212222523.db2.gz	PTSIWUJZKZOAHW-DZGCQCFKSA-N	0	3	321.808	2.697	20	30		DFEDHN
CCCN1CC[C@@H](NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000595800037	399090384	/nfs/dbraw/zinc/09/03/84/399090384.db2.gz	PRVRWAICAVWRFO-WMLDXEAASA-N	0	3	314.433	2.745	20	30		DFEDHN
C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN2CCC[C@H]2C1	ZINC000283175290	335001340	/nfs/dbraw/zinc/00/13/40/335001340.db2.gz	GBCVAQPBVLVECR-KRWDZBQOSA-N	0	3	323.444	2.806	20	30		DFEDHN
CCN(C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](C)C#N	ZINC000595819489	399097857	/nfs/dbraw/zinc/09/78/57/399097857.db2.gz	BPDNNAIFALRGLY-WMZOPIPTSA-N	0	3	301.434	2.511	20	30		DFEDHN
N#CC1(CCCN2CCOC(C3CC3)(C3CC3)C2)CCOCC1	ZINC000595822293	399099114	/nfs/dbraw/zinc/09/91/14/399099114.db2.gz	PURJRLOFQVPPRB-UHFFFAOYSA-N	0	3	318.461	2.978	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2CCC(c3ccon3)CC2)cc1	ZINC000595828844	399102826	/nfs/dbraw/zinc/10/28/26/399102826.db2.gz	OJTWTUIVLHAKOQ-UHFFFAOYSA-N	0	3	324.384	2.754	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2csc(-c3ccoc3)n2)CC1	ZINC000170982743	335011413	/nfs/dbraw/zinc/01/14/13/335011413.db2.gz	ZMXRJAQZGHORFL-UHFFFAOYSA-N	0	3	317.414	2.783	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2OC2CCC2)CC1	ZINC000600727627	399126975	/nfs/dbraw/zinc/12/69/75/399126975.db2.gz	YMGQZQMSMOWSRT-OAHLLOKOSA-N	0	3	300.402	2.762	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@@H](C)NC[C@H](O)CC1(C#N)CC1	ZINC000600733299	399128877	/nfs/dbraw/zinc/12/88/77/399128877.db2.gz	YMSMCZOXTHDLSJ-IOASZLSFSA-N	0	3	306.381	2.546	20	30		DFEDHN
CCOc1ccc2c(c1)[C@H](NC[C@H](O)CC1(C#N)CC1)CCO2	ZINC000600735686	399129897	/nfs/dbraw/zinc/12/98/97/399129897.db2.gz	PCXBUFYLFBZGCC-CZUORRHYSA-N	0	3	316.401	2.553	20	30		DFEDHN
COC1CCN(CCNc2cc(C#N)c3ccccc3n2)CC1	ZINC000080250103	399131199	/nfs/dbraw/zinc/13/11/99/399131199.db2.gz	PNOSYSVNNZCKEN-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
COCC1(NCC(=O)Nc2oc(C)c(C)c2C#N)CCCCC1	ZINC000595910076	399131730	/nfs/dbraw/zinc/13/17/30/399131730.db2.gz	GNQDYBZSXHOEDX-UHFFFAOYSA-N	0	3	319.405	2.646	20	30		DFEDHN
C=CCC[C@@H](N[C@@H](C)C(=O)NC(=O)NCC)c1ccccc1	ZINC000180041559	399132278	/nfs/dbraw/zinc/13/22/78/399132278.db2.gz	RSTBHWOQTAQFRU-DZGCQCFKSA-N	0	3	303.406	2.518	20	30		DFEDHN
CN(Cc1ccccc1)C[C@@H](O)CNCC1(C#N)CCCCC1	ZINC000600754415	399135916	/nfs/dbraw/zinc/13/59/16/399135916.db2.gz	AFMNZPNLULCOLN-SFHVURJKSA-N	0	3	315.461	2.543	20	30		DFEDHN
C[C@@]1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCCS1	ZINC000600108007	399137608	/nfs/dbraw/zinc/13/76/08/399137608.db2.gz	NPGRUAADMNHBHO-SFHVURJKSA-N	0	3	315.486	2.962	20	30		DFEDHN
C=CCCOCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C	ZINC000607086339	399140253	/nfs/dbraw/zinc/14/02/53/399140253.db2.gz	HCOMVEREUDZXKZ-KRWDZBQOSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](Cc1cccc(OC)c1)c1ccccc1	ZINC000181451150	399140857	/nfs/dbraw/zinc/14/08/57/399140857.db2.gz	SCUHYWLLWIHOPG-IBGZPJMESA-N	0	3	324.424	2.871	20	30		DFEDHN
N#CCc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)c1	ZINC000595965587	399142193	/nfs/dbraw/zinc/14/21/93/399142193.db2.gz	GLAZTWORPMOANP-SFHVURJKSA-N	0	3	321.380	2.666	20	30		DFEDHN
CCC[C@H](NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1	ZINC000181866923	399142467	/nfs/dbraw/zinc/14/24/67/399142467.db2.gz	LRZFPHIYPPNBPB-ZDUSSCGKSA-N	0	3	313.323	2.776	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1	ZINC000264511052	203966538	/nfs/dbraw/zinc/96/65/38/203966538.db2.gz	XRAKFRJARITUTQ-UHFFFAOYSA-N	0	3	303.362	2.884	20	30		DFEDHN
N#Cc1cc(F)c(N2C[C@H]3CCC[C@@H](C2)N3)cc1Br	ZINC000596016023	399149414	/nfs/dbraw/zinc/14/94/14/399149414.db2.gz	NHALBYMBCJFUQW-PHIMTYICSA-N	0	3	324.197	2.791	20	30		DFEDHN
C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccsc1	ZINC000061362670	399154331	/nfs/dbraw/zinc/15/43/31/399154331.db2.gz	IDGUFKLRKGZGBK-SWLSCSKDSA-N	0	3	302.399	2.710	20	30		DFEDHN
C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1	ZINC000080587548	399160823	/nfs/dbraw/zinc/16/08/23/399160823.db2.gz	DBRSLJGJMJCDPR-GDBMZVCRSA-N	0	3	314.433	2.602	20	30		DFEDHN
Cc1cc(NCCN2CCC[C@@H](C)C2)cc(C#N)c1[N+](=O)[O-]	ZINC000596076881	399164576	/nfs/dbraw/zinc/16/45/76/399164576.db2.gz	RCGFPZIGIQBGIK-GFCCVEGCSA-N	0	3	302.378	2.919	20	30		DFEDHN
CNC(=O)CC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614168940	399168039	/nfs/dbraw/zinc/16/80/39/399168039.db2.gz	JYBSDVKBHBFEAI-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC(C)CC1	ZINC000062428568	399170792	/nfs/dbraw/zinc/17/07/92/399170792.db2.gz	WVYXIWROFWQJCE-AWEZNQCLSA-N	0	3	300.406	2.800	20	30		DFEDHN
CN(CCOCCO)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000282636619	217143120	/nfs/dbraw/zinc/14/31/20/217143120.db2.gz	YZJMGDOTIQNYSO-UHFFFAOYSA-N	0	3	310.397	2.666	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000596143796	399189254	/nfs/dbraw/zinc/18/92/54/399189254.db2.gz	AGQZWVFOIAMHQO-WFASDCNBSA-N	0	3	315.446	2.848	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C#N)c1	ZINC000596145574	399190691	/nfs/dbraw/zinc/19/06/91/399190691.db2.gz	QITVZBWCWTYTMR-IRXDYDNUSA-N	0	3	314.433	2.630	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](N[C@H]3CCC34CCC4)C2=O)cc1	ZINC000282864788	217286551	/nfs/dbraw/zinc/28/65/51/217286551.db2.gz	UWTXXUACGFWDGL-SJORKVTESA-N	0	3	309.413	2.581	20	30		DFEDHN
CCO[C@H]1COCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1	ZINC000614326866	399207567	/nfs/dbraw/zinc/20/75/67/399207567.db2.gz	UNDNDIDRYBEUJI-SJORKVTESA-N	0	3	302.418	2.771	20	30		DFEDHN
N#Cc1ccc(OC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1	ZINC000601068938	399217795	/nfs/dbraw/zinc/21/77/95/399217795.db2.gz	JONOEFPKDUQABQ-LJQANCHMSA-N	0	3	308.381	2.574	20	30		DFEDHN
N#Cc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)cn1	ZINC000267362234	206011576	/nfs/dbraw/zinc/01/15/76/206011576.db2.gz	IIACUOUDXDNYCO-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
Cc1cc(CNC2CCC(Oc3ccc(C#N)cn3)CC2)on1	ZINC000601113822	399231402	/nfs/dbraw/zinc/23/14/02/399231402.db2.gz	KUDPXHVBBXWABE-UHFFFAOYSA-N	0	3	312.373	2.730	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCN(C2CCOCC2)C[C@@H]1C	ZINC000618766158	399232467	/nfs/dbraw/zinc/23/24/67/399232467.db2.gz	DFMKPSJFMDTDRU-INIZCTEOSA-N	0	3	313.445	2.552	20	30		DFEDHN
C=CCOCCCC(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000608110687	399234777	/nfs/dbraw/zinc/23/47/77/399234777.db2.gz	WMHKRUCEXGXUNY-UHFFFAOYSA-N	0	3	306.406	2.678	20	30		DFEDHN
COc1ccccc1C[C@](C)(CO)NCc1ccc(C#N)s1	ZINC000601154033	399243430	/nfs/dbraw/zinc/24/34/30/399243430.db2.gz	WZFRIBKVBITVHP-QGZVFWFLSA-N	0	3	316.426	2.712	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)C(C)C	ZINC000601165378	399245380	/nfs/dbraw/zinc/24/53/80/399245380.db2.gz	NPPBIPPJMQYAFA-MRXNPFEDSA-N	0	3	315.461	2.885	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1	ZINC000285937631	335028341	/nfs/dbraw/zinc/02/83/41/335028341.db2.gz	FOVTZNRSZGYCNW-KNXALSJPSA-N	0	3	324.371	2.545	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCC[C@H]1CN1CCOCC1	ZINC000247453762	296225306	/nfs/dbraw/zinc/22/53/06/296225306.db2.gz	HRXWFYFUSQHNGA-LPHOPBHVSA-N	0	3	313.445	2.806	20	30		DFEDHN
C=CCN1CCC(N[C@@H](C)c2cc(C(=O)OC)cs2)CC1	ZINC000286055266	335031946	/nfs/dbraw/zinc/03/19/46/335031946.db2.gz	LEJMPOXKVUQWTI-LBPRGKRZSA-N	0	3	308.447	2.836	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)c1ccc(C#N)c(Cl)c1	ZINC000614622391	399254036	/nfs/dbraw/zinc/25/40/36/399254036.db2.gz	HBHLADKFVMJCNI-CQSZACIVSA-N	0	3	305.809	2.816	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)CC1	ZINC000608438195	399263834	/nfs/dbraw/zinc/26/38/34/399263834.db2.gz	KPEMVKDHHIOHCY-HKUYNNGSSA-N	0	3	313.445	2.666	20	30		DFEDHN
COC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCCO1	ZINC000618992046	399272728	/nfs/dbraw/zinc/27/27/28/399272728.db2.gz	CQDGWVNYERIIBW-FGTMMUONSA-N	0	3	300.402	2.719	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CN(c2ccncn2)C1	ZINC000601304892	399274288	/nfs/dbraw/zinc/27/42/88/399274288.db2.gz	WMWCJENLKUVYNS-SFHVURJKSA-N	0	3	319.412	2.594	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N2CCN(CCC#N)CC2)C12CCCCC2	ZINC000601316169	399276363	/nfs/dbraw/zinc/27/63/63/399276363.db2.gz	UODHNWNMCUEOGA-IAGOWNOFSA-N	0	3	305.466	2.646	20	30		DFEDHN
CCO[C@H]1C[C@H](N2CCN(CCC#N)CC2)C12CCCCC2	ZINC000601316170	399276557	/nfs/dbraw/zinc/27/65/57/399276557.db2.gz	UODHNWNMCUEOGA-IRXDYDNUSA-N	0	3	305.466	2.646	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCCO[C@H]1c1ccccc1	ZINC000622839267	399285246	/nfs/dbraw/zinc/28/52/46/399285246.db2.gz	NJBNFBKATMVFES-JQHSSLGASA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CC2(CC2)C1	ZINC000601409969	399286904	/nfs/dbraw/zinc/28/69/04/399286904.db2.gz	BKMZEEANBYHHAS-OAHLLOKOSA-N	0	3	311.429	2.707	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C)C1	ZINC000043329095	183355116	/nfs/dbraw/zinc/35/51/16/183355116.db2.gz	KGZRPJLFCCLZMW-KBPBESRZSA-N	0	3	300.406	2.800	20	30		DFEDHN
C[C@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CC#N	ZINC000609413267	399317889	/nfs/dbraw/zinc/31/78/89/399317889.db2.gz	QWDJPGHARAVRQJ-HNNXBMFYSA-N	0	3	315.417	2.535	20	30		DFEDHN
Cc1ccc(CCCN[C@H](C(N)=O)c2ccc(C#N)cc2)c(C)c1	ZINC000609675842	399329611	/nfs/dbraw/zinc/32/96/11/399329611.db2.gz	RPDIIQMGIISHGG-IBGZPJMESA-N	0	3	321.424	2.924	20	30		DFEDHN
COCC1(C2CC2)CN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000601768560	399332569	/nfs/dbraw/zinc/33/25/69/399332569.db2.gz	QABHGTNWDDRTSC-INIZCTEOSA-N	0	3	312.413	2.644	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1	ZINC000609920608	399336518	/nfs/dbraw/zinc/33/65/18/399336518.db2.gz	UEUFLZGWQJMZJU-WFASDCNBSA-N	0	3	305.809	2.753	20	30		DFEDHN
CN1CC=C(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000271884261	209293117	/nfs/dbraw/zinc/29/31/17/209293117.db2.gz	CPOFFMJKENYDLS-UHFFFAOYSA-N	0	3	304.781	2.595	20	30		DFEDHN
C=CCSc1ccccc1NC(=O)CN[C@H](CCO)C(C)C	ZINC000273993684	211251821	/nfs/dbraw/zinc/25/18/21/211251821.db2.gz	KABGXILXXPNUSL-CQSZACIVSA-N	0	3	322.474	2.900	20	30		DFEDHN
CN(C(=O)CCN1CCc2ccccc2C1)[C@H]1CCC[C@@H]1C#N	ZINC000601815882	399341804	/nfs/dbraw/zinc/34/18/04/399341804.db2.gz	FZTYVUWAHWGJGP-AEFFLSMTSA-N	0	3	311.429	2.585	20	30		DFEDHN
CC(C)C1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000619431171	399345372	/nfs/dbraw/zinc/34/53/72/399345372.db2.gz	UXEPAWWFOSWQFY-UHFFFAOYSA-N	0	3	309.417	2.947	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2CC#N)CCN1C	ZINC000610178137	399345542	/nfs/dbraw/zinc/34/55/42/399345542.db2.gz	QQLXHGLKPPCTHL-HOCLYGCPSA-N	0	3	324.428	2.720	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000619578201	399364273	/nfs/dbraw/zinc/36/42/73/399364273.db2.gz	CWEMTWOMMKDITA-HNNXBMFYSA-N	0	3	317.458	2.593	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1ccnn1-c1ccccc1	ZINC000619611142	399367571	/nfs/dbraw/zinc/36/75/71/399367571.db2.gz	PSALOORLOYXCER-OAHLLOKOSA-N	0	3	309.417	2.511	20	30		DFEDHN
N#Cc1ccc(OCCN2CCC(Cn3cccn3)CC2)cc1	ZINC000105886023	194156743	/nfs/dbraw/zinc/15/67/43/194156743.db2.gz	BSEILSKMAUFQDZ-UHFFFAOYSA-N	0	3	310.401	2.546	20	30		DFEDHN
CCOCCN1CCN(Cc2ccc(F)cc2C#N)C[C@H]1CC	ZINC000106116612	194186575	/nfs/dbraw/zinc/18/65/75/194186575.db2.gz	ORVWCWJNLSIKIG-GOSISDBHSA-N	0	3	319.424	2.630	20	30		DFEDHN
N#Cc1c(F)cccc1CNC1CCN(Cc2ccncc2)CC1	ZINC000602004045	399380457	/nfs/dbraw/zinc/38/04/57/399380457.db2.gz	JRHOWUCXZYETGX-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
COC[C@H](C)NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000619715840	399381734	/nfs/dbraw/zinc/38/17/34/399381734.db2.gz	CLQCKMIINMXAMJ-ZDUSSCGKSA-N	0	3	323.824	2.520	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000610576077	399381453	/nfs/dbraw/zinc/38/14/53/399381453.db2.gz	LDEXHJNGXLKEFO-LSDHHAIUSA-N	0	3	314.389	2.920	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](C)[C@H](C)C(=O)OCC)cc1OC	ZINC000273760838	211034802	/nfs/dbraw/zinc/03/48/02/211034802.db2.gz	PXWZJTPLIMWZRC-KBPBESRZSA-N	0	3	321.417	2.937	20	30		DFEDHN
C=CCCc1nc(-c2ccc(OCCN(C)C)c(OC)c2)no1	ZINC000273734913	211014880	/nfs/dbraw/zinc/01/48/80/211014880.db2.gz	LHYDUHIDHLSZIA-UHFFFAOYSA-N	0	3	317.389	2.804	20	30		DFEDHN
C[C@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)c(F)c1	ZINC000271918989	209323556	/nfs/dbraw/zinc/32/35/56/209323556.db2.gz	HBGCOKCCENNFAT-ZDUSSCGKSA-N	0	3	303.381	2.751	20	30		DFEDHN
N#Cc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)cc1Cl	ZINC000619780635	399390659	/nfs/dbraw/zinc/39/06/59/399390659.db2.gz	YASKADKIHHWHMY-INIZCTEOSA-N	0	3	317.820	2.702	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000610674010	399391357	/nfs/dbraw/zinc/39/13/57/399391357.db2.gz	RVHPOCYRDQKAES-YGRLFVJLSA-N	0	3	306.797	2.673	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1	ZINC000610678111	399391939	/nfs/dbraw/zinc/39/19/39/399391939.db2.gz	BZVBHFPPYFKDHK-YGRLFVJLSA-N	0	3	316.355	2.559	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)cc1	ZINC000268876671	207047405	/nfs/dbraw/zinc/04/74/05/207047405.db2.gz	VNQCPLGLMJSHIU-GXTWGEPZSA-N	0	3	308.809	2.699	20	30		DFEDHN
C=CCOc1c(Cl)cc(CN[C@@H](C)CN(C)C)cc1OC	ZINC000623525107	399408166	/nfs/dbraw/zinc/40/81/66/399408166.db2.gz	WLGQRKXZODMZTJ-LBPRGKRZSA-N	0	3	312.841	2.953	20	30		DFEDHN
N#CCN1CCC(N[C@@H]2CCSc3ccc(F)cc32)CC1	ZINC000610813091	399408573	/nfs/dbraw/zinc/40/85/73/399408573.db2.gz	ZCPRTBIJMOKLOJ-OAHLLOKOSA-N	0	3	305.422	2.940	20	30		DFEDHN
CC(C#N)C(=O)NCc1cc2cccnc2cc1Br	ZINC000610925810	399418992	/nfs/dbraw/zinc/41/89/92/399418992.db2.gz	AXDXLYGLCZZAOW-VIFPVBQESA-N	0	3	318.174	2.773	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000610877656	399415656	/nfs/dbraw/zinc/41/56/56/399415656.db2.gz	HCWWYJUMEVQTEZ-GFCCVEGCSA-N	0	3	306.797	2.675	20	30		DFEDHN
N#Cc1cc(CN(CCCO)[C@H]2CCc3ccccc32)ccn1	ZINC000610994315	399426203	/nfs/dbraw/zinc/42/62/03/399426203.db2.gz	CRFPVBMOWACPOQ-IBGZPJMESA-N	0	3	307.397	2.825	20	30		DFEDHN
N#CC1(CNC(=O)NC[C@H]2CCN2C2CCCCC2)CCCC1	ZINC000602337961	399427009	/nfs/dbraw/zinc/42/70/09/399427009.db2.gz	ZBSIGVAGELFXNX-MRXNPFEDSA-N	0	3	318.465	2.777	20	30		DFEDHN
CCn1nccc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000611080878	399433018	/nfs/dbraw/zinc/43/30/18/399433018.db2.gz	ZVDOITAZWVBGKF-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccccc1C#N	ZINC000611120877	399436188	/nfs/dbraw/zinc/43/61/88/399436188.db2.gz	DLRHYWKSXFRIJW-YJBOKZPZSA-N	0	3	313.445	2.931	20	30		DFEDHN
Cc1noc(C)c1CCN1CCCN(c2ccccc2C#N)CC1	ZINC000611126704	399436881	/nfs/dbraw/zinc/43/68/81/399436881.db2.gz	CLSSJCVNABZUHQ-UHFFFAOYSA-N	0	3	324.428	2.918	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2ccc(F)cc2C#N)C[C@@H](C)O1	ZINC000269038413	207186344	/nfs/dbraw/zinc/18/63/44/207186344.db2.gz	LJSLHTVNVKZHDK-ZIAGYGMSSA-N	0	3	305.397	2.999	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(F)cc2C#N)C1	ZINC000495555552	269701612	/nfs/dbraw/zinc/70/16/12/269701612.db2.gz	GJAYCUSMXIGUJX-JSGCOSHPSA-N	0	3	319.380	2.654	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NCCCCN2C[C@H](C)O[C@@H](C)C2)n1	ZINC000269046436	207196357	/nfs/dbraw/zinc/19/63/57/207196357.db2.gz	ORRPKYOZCISXFL-HOTGVXAUSA-N	0	3	316.449	2.871	20	30		DFEDHN
CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1cccc(C#N)n1	ZINC000602473329	399454197	/nfs/dbraw/zinc/45/41/97/399454197.db2.gz	MEAPUAMZRVWCPL-LJQANCHMSA-N	0	3	309.413	2.972	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)ccn1	ZINC000611281794	399457217	/nfs/dbraw/zinc/45/72/17/399457217.db2.gz	JZSHEIRANQKPGV-QGZVFWFLSA-N	0	3	317.396	2.968	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)c(Cl)c1	ZINC000269136975	207269061	/nfs/dbraw/zinc/26/90/61/207269061.db2.gz	MYMRVUUAVMRQTF-LBPRGKRZSA-N	0	3	304.781	2.524	20	30		DFEDHN
N#Cc1cccc(CN[C@H](CN2CCCC2)c2ccccc2)n1	ZINC000602511063	399464728	/nfs/dbraw/zinc/46/47/28/399464728.db2.gz	SCNJOFDWZIDVIW-LJQANCHMSA-N	0	3	306.413	2.880	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(CO)c(F)c1	ZINC000602522299	399467083	/nfs/dbraw/zinc/46/70/83/399467083.db2.gz	UGLPIVJKIFJISH-ZDUSSCGKSA-N	0	3	306.381	2.507	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000287684568	335046514	/nfs/dbraw/zinc/04/65/14/335046514.db2.gz	IHLDWRPUJQYCKK-PXNSSMCTSA-N	0	3	322.452	2.676	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(O)(c2ccccc2Cl)CC1	ZINC000193152612	335045722	/nfs/dbraw/zinc/04/57/22/335045722.db2.gz	MGZFNZJAXUSFGX-CQSZACIVSA-N	0	3	309.837	2.951	20	30		DFEDHN
CC(C)(CNCc1cccc(C#N)n1)c1ccc2c(c1)OCCO2	ZINC000602527092	399467949	/nfs/dbraw/zinc/46/79/49/399467949.db2.gz	YFKJAGOURXCWNM-UHFFFAOYSA-N	0	3	323.396	2.792	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1	ZINC000611387110	399469067	/nfs/dbraw/zinc/46/90/67/399469067.db2.gz	FHNZHXNOBSJJMB-CRAIPNDOSA-N	0	3	310.397	2.957	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1OCCc2ccccc21	ZINC000602547056	399472598	/nfs/dbraw/zinc/47/25/98/399472598.db2.gz	PCUQBLXQMZGQEW-YJBOKZPZSA-N	0	3	314.429	2.989	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cccc(C2CCOCC2)c1	ZINC000602547865	399473448	/nfs/dbraw/zinc/47/34/48/399473448.db2.gz	SVCNFYCYHRLSLR-KRWDZBQOSA-N	0	3	315.417	2.930	20	30		DFEDHN
C[C@@H]1C[C@H](NCc2cccc(C#N)n2)CN1Cc1ccccc1	ZINC000602569246	399478695	/nfs/dbraw/zinc/47/86/95/399478695.db2.gz	PVSTWNBICFWRQZ-BEFAXECRSA-N	0	3	306.413	2.706	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCc1ccnc(-c2ccccc2)c1	ZINC000602573168	399479631	/nfs/dbraw/zinc/47/96/31/399479631.db2.gz	PKJADMDYEBMFCK-KRWDZBQOSA-N	0	3	322.412	2.776	20	30		DFEDHN
COc1ccc([C@H](OC)[C@@H](C)NCc2cccc(C#N)n2)cc1	ZINC000602582665	399482355	/nfs/dbraw/zinc/48/23/55/399482355.db2.gz	MYHHLJQDHPJMTE-FZKQIMNGSA-N	0	3	311.385	2.828	20	30		DFEDHN
Cn1c(CCCNCc2cccc(C#N)n2)nc2ccccc21	ZINC000602591669	399485841	/nfs/dbraw/zinc/48/58/41/399485841.db2.gz	BQAJNBYUPGIIKJ-UHFFFAOYSA-N	0	3	305.385	2.562	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@@H]2CCCNC(=O)C2)cc1	ZINC000602605859	399488321	/nfs/dbraw/zinc/48/83/21/399488321.db2.gz	SZNOFQZPTNQLMI-GOSISDBHSA-N	0	3	319.408	2.984	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1ccc(C#N)cc1F	ZINC000611587531	399497607	/nfs/dbraw/zinc/49/76/07/399497607.db2.gz	HPDFEBAIPSFRGV-CDHAZOANSA-N	0	3	317.408	2.995	20	30		DFEDHN
CCc1nnc2n1C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2	ZINC000611590039	399497957	/nfs/dbraw/zinc/49/79/57/399497957.db2.gz	YTRRGHBXKZMDCX-WCQYABFASA-N	0	3	313.380	2.517	20	30		DFEDHN
N#Cc1cccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)n1	ZINC000602626953	399494782	/nfs/dbraw/zinc/49/47/82/399494782.db2.gz	BWDUXIKJTUNLAT-RISCZKNCSA-N	0	3	313.323	2.526	20	30		DFEDHN
COC(=O)[C@H]1CCCCCC[C@@H]1NCc1cccc(C#N)n1	ZINC000602639863	399499954	/nfs/dbraw/zinc/49/99/54/399499954.db2.gz	BSWQXFNHCXWSAM-HOTGVXAUSA-N	0	3	301.390	2.555	20	30		DFEDHN
CC(C)c1nn(C)c(N(C)C)c1CN1CCC(CC#N)CC1	ZINC000611622844	399500191	/nfs/dbraw/zinc/50/01/91/399500191.db2.gz	NUFJNLWKEJRTSX-UHFFFAOYSA-N	0	3	303.454	2.735	20	30		DFEDHN
COc1cc(N2CCN(C[C@@H](C)CCC#N)CC2)ccc1F	ZINC000602656440	399504514	/nfs/dbraw/zinc/50/45/14/399504514.db2.gz	YNDFCAONMBGPCK-AWEZNQCLSA-N	0	3	305.397	2.896	20	30		DFEDHN
N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1	ZINC000602660489	399507543	/nfs/dbraw/zinc/50/75/43/399507543.db2.gz	DJZYIKFRPCQTLA-VAMGGRTRSA-N	0	3	319.408	2.958	20	30		DFEDHN
Cc1cccc2c1C[C@@H](N[C@@H](C)CC1(C#N)CCOCC1)CO2	ZINC000602720709	399538556	/nfs/dbraw/zinc/53/85/56/399538556.db2.gz	MBEQGCKTFTVXDV-JKSUJKDBSA-N	0	3	314.429	2.987	20	30		DFEDHN
C=C(C)C[C@H](N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)OC	ZINC000602733661	399546827	/nfs/dbraw/zinc/54/68/27/399546827.db2.gz	KLYSMFCXHCUVSX-NXHRZFHOSA-N	0	3	316.445	2.919	20	30		DFEDHN
CC(C)(CCC#N)CN1CCN(Cc2ccc(O)cc2)CC1	ZINC000602747308	399555115	/nfs/dbraw/zinc/55/51/15/399555115.db2.gz	CHRAARHQQUIIJX-UHFFFAOYSA-N	0	3	301.434	2.840	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1	ZINC000272896799	210285401	/nfs/dbraw/zinc/28/54/01/210285401.db2.gz	UJOHZVFJFPCLNG-HZPDHXFCSA-N	0	3	311.422	2.652	20	30		DFEDHN
C[C@@H]1COc2ccccc2CN1C[C@H](O)c1ccc(C#N)cc1	ZINC000272910372	210296820	/nfs/dbraw/zinc/29/68/20/210296820.db2.gz	HJPUGNMSEJTNQV-KDOFPFPSSA-N	0	3	308.381	2.875	20	30		DFEDHN
C=C(CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1	ZINC000287945663	335050567	/nfs/dbraw/zinc/05/05/67/335050567.db2.gz	GHSCBNGVGPDPPI-ROUUACIJSA-N	0	3	313.445	2.826	20	30		DFEDHN
C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCN(C)C)C(C)C	ZINC000288302142	335051713	/nfs/dbraw/zinc/05/17/13/335051713.db2.gz	WLKGTIHVUVAVPJ-SFHVURJKSA-N	0	3	315.461	2.603	20	30		DFEDHN
C=CCC[C@@H](NS(=O)(=O)CCCN(C)C)c1ccccc1	ZINC000632126406	399578019	/nfs/dbraw/zinc/57/80/19/399578019.db2.gz	QKEGFHIDKNZMSM-MRXNPFEDSA-N	0	3	310.463	2.565	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000620737292	399579898	/nfs/dbraw/zinc/57/98/98/399579898.db2.gz	OAWKOAPYFIFDGL-SFHVURJKSA-N	0	3	316.445	2.608	20	30		DFEDHN
CC[C@H](NCC1(CC#N)CC1)c1ccccc1OCC(=O)NC	ZINC000602801298	399580195	/nfs/dbraw/zinc/58/01/95/399580195.db2.gz	NGYMVWKVPMGTSA-HNNXBMFYSA-N	0	3	315.417	2.546	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@](C)(C#N)C1	ZINC000612125305	399588089	/nfs/dbraw/zinc/58/80/89/399588089.db2.gz	IGFOJUJGUQPUIV-NVXWUHKLSA-N	0	3	306.454	2.586	20	30		DFEDHN
N#CCC1(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CC1	ZINC000602834181	399593402	/nfs/dbraw/zinc/59/34/02/399593402.db2.gz	SELWJICZGZCWIF-GOSISDBHSA-N	0	3	302.393	2.746	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000111472240	285198661	/nfs/dbraw/zinc/19/86/61/285198661.db2.gz	AYRFYJZXRMNCKV-WMLDXEAASA-N	0	3	314.433	2.793	20	30		DFEDHN
N#Cc1ccc(F)c(CN2CCCN(c3ccncc3)CC2)c1	ZINC000602846402	399600607	/nfs/dbraw/zinc/60/06/07/399600607.db2.gz	PMDBXWFJODYYFL-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
CC#CCCN1CCC(Oc2c(OC)cccc2OC)CC1	ZINC000155120712	197024202	/nfs/dbraw/zinc/02/42/02/197024202.db2.gz	LVLODTGKISBWNA-UHFFFAOYSA-N	0	3	303.402	2.960	20	30		DFEDHN
C#CCCCCNC(=O)N(CCN(C)C)Cc1ccccc1	ZINC000154872029	197000698	/nfs/dbraw/zinc/00/06/98/197000698.db2.gz	VZLUDKZPQVOYQX-UHFFFAOYSA-N	0	3	301.434	2.563	20	30		DFEDHN
Cc1csc(CC2(O)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1	ZINC000602891936	399616941	/nfs/dbraw/zinc/61/69/41/399616941.db2.gz	DTFMHJDKLRYGIO-ZIAGYGMSSA-N	0	3	305.447	2.513	20	30		DFEDHN
Cc1csc(CC2(O)CCN([C@H]3CC[C@H](C#N)C3)CC2)n1	ZINC000602891933	399616981	/nfs/dbraw/zinc/61/69/81/399616981.db2.gz	DTFMHJDKLRYGIO-KBPBESRZSA-N	0	3	305.447	2.513	20	30		DFEDHN
N#CCc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602890350	399617318	/nfs/dbraw/zinc/61/73/18/399617318.db2.gz	HNRFKWDSPHBNGA-ZWKOTPCHSA-N	0	3	314.429	2.552	20	30		DFEDHN
C=CC[C@@H]1CCN(CCC(=O)c2ccc3c(c2)OCCO3)C1	ZINC000625703123	399618311	/nfs/dbraw/zinc/61/83/11/399618311.db2.gz	QQOLSDIHZXXLNE-CQSZACIVSA-N	0	3	301.386	2.929	20	30		DFEDHN
C=CC[C@@H]1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000625703824	399618934	/nfs/dbraw/zinc/61/89/34/399618934.db2.gz	PKEAFFLKYWKOEW-WBVHZDCISA-N	0	3	303.402	2.527	20	30		DFEDHN
CC(C)OC(=O)CCN1CCC(Nc2ccccc2C#N)CC1	ZINC000602899398	399619433	/nfs/dbraw/zinc/61/94/33/399619433.db2.gz	IGJMICZZAOEGDT-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
CN(C)C[C@H]1COC2(CCCC2)CN1Cc1ccc(C#N)cc1	ZINC000602905187	399622025	/nfs/dbraw/zinc/62/20/25/399622025.db2.gz	CLSJBBXTZWGFIF-SFHVURJKSA-N	0	3	313.445	2.633	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)C2CCCC2)c(Br)c1	ZINC000289515292	221033522	/nfs/dbraw/zinc/03/35/22/221033522.db2.gz	LZQCUNWDIJIMDB-HNNXBMFYSA-N	0	3	323.234	2.961	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000289672820	221145392	/nfs/dbraw/zinc/14/53/92/221145392.db2.gz	MQCMGLYBNWTOHS-UHFFFAOYSA-N	0	3	321.371	2.784	20	30		DFEDHN
COC[C@](C)(CO)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000602931667	399632034	/nfs/dbraw/zinc/63/20/34/399632034.db2.gz	IOZWPCPYKJGURK-IBGZPJMESA-N	0	3	310.397	2.712	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c(F)c1	ZINC000289951593	221338048	/nfs/dbraw/zinc/33/80/48/221338048.db2.gz	UVYMWOYNAPXRAV-IEBWSBKVSA-N	0	3	310.372	2.953	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCc3nccn3C2)cc1OC	ZINC000624357715	399653200	/nfs/dbraw/zinc/65/32/00/399653200.db2.gz	CMUYTUUHQZPDMV-HNNXBMFYSA-N	0	3	313.401	2.561	20	30		DFEDHN
CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[C@H]1C#N	ZINC000602981448	399648504	/nfs/dbraw/zinc/64/85/04/399648504.db2.gz	DINQMHJCMDYYDG-SZMVWBNQSA-N	0	3	311.429	2.773	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCc3nnc(CC)n3C2)cc1	ZINC000624356601	399652091	/nfs/dbraw/zinc/65/20/91/399652091.db2.gz	GSFHXMJXGYBYIZ-OAHLLOKOSA-N	0	3	312.417	2.510	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N1CCN(c2ccncc2)CC1	ZINC000624470252	399682783	/nfs/dbraw/zinc/68/27/83/399682783.db2.gz	WRWKUBRYMXGXLE-UHFFFAOYSA-N	0	3	302.422	2.516	20	30		DFEDHN
N#CCC1(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1	ZINC000603142508	399693828	/nfs/dbraw/zinc/69/38/28/399693828.db2.gz	DHIPWEFLCQOTAY-KBPBESRZSA-N	0	3	312.335	2.804	20	30		DFEDHN
C[C@H](CCC#N)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145086	399695182	/nfs/dbraw/zinc/69/51/82/399695182.db2.gz	MFLJTXZRKYNUMB-BNOWGMLFSA-N	0	3	300.324	2.803	20	30		DFEDHN
CCN1CCC(Nc2cc(C#N)c(Br)cn2)CC1	ZINC000603276089	399728997	/nfs/dbraw/zinc/72/89/97/399728997.db2.gz	VSNNFUHTMIMYNB-UHFFFAOYSA-N	0	3	309.211	2.612	20	30		DFEDHN
C#C[C@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC)C(C)C	ZINC000289311982	335061608	/nfs/dbraw/zinc/06/16/08/335061608.db2.gz	DTYARHHWDVULMA-HIFRSBDPSA-N	0	3	318.417	2.668	20	30		DFEDHN
Cc1ccccc1CN1CCC(Nc2cnc(C#N)cn2)CC1	ZINC000121723156	195335042	/nfs/dbraw/zinc/33/50/42/195335042.db2.gz	PZMGQEQGWLEVTL-UHFFFAOYSA-N	0	3	307.401	2.733	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(F)cc2C#N)CCN1CCOC	ZINC000121755496	195342023	/nfs/dbraw/zinc/34/20/23/195342023.db2.gz	JVBJQDPFGIFVNZ-SFHVURJKSA-N	0	3	319.424	2.630	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](Cc2nccn2C)C1	ZINC000121612953	195317032	/nfs/dbraw/zinc/31/70/32/195317032.db2.gz	POMXTBUVJIQPPF-MRXNPFEDSA-N	0	3	324.428	2.755	20	30		DFEDHN
COc1cc(NCCNCc2ccc(C#N)s2)cc(OC)c1	ZINC000126037711	195804348	/nfs/dbraw/zinc/80/43/48/195804348.db2.gz	IZVDZOGNKNSIAI-UHFFFAOYSA-N	0	3	317.414	2.839	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1	ZINC000127665844	195899438	/nfs/dbraw/zinc/89/94/38/195899438.db2.gz	XQZXYUJUQTTZPN-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000318417881	533269518	/nfs/dbraw/zinc/26/95/18/533269518.db2.gz	JXFUATBEHCJVLZ-BBWFWOEESA-N	0	3	300.402	2.692	20	30		DFEDHN
C=CCN(C(=O)C[C@@H](c1ccccc1)N(C)C)[C@H](C)COC	ZINC000617582614	399748811	/nfs/dbraw/zinc/74/88/11/399748811.db2.gz	QKZNSYBEGMQDTB-WBVHZDCISA-N	0	3	304.434	2.729	20	30		DFEDHN
C=C[C@H](CC(=O)Nc1cnn(CCN(C)C)c1)c1ccccc1	ZINC000124132159	542596058	/nfs/dbraw/zinc/59/60/58/542596058.db2.gz	RIGMLHOXYISBPQ-OAHLLOKOSA-N	0	3	312.417	2.743	20	30		DFEDHN
C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(Br)cc1	ZINC000289567998	335064313	/nfs/dbraw/zinc/06/43/13/335064313.db2.gz	SHLJVMQKPCTPTC-MNOVXSKESA-N	0	3	309.207	2.778	20	30		DFEDHN
CC[C@@H]1CN(CC)CCN1c1cc(C#N)c(Br)cn1	ZINC000603392376	399763216	/nfs/dbraw/zinc/76/32/16/399763216.db2.gz	OSTTZLFCHOIFOF-GFCCVEGCSA-N	0	3	323.238	2.636	20	30		DFEDHN
C=CCC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000603426685	399774095	/nfs/dbraw/zinc/77/40/95/399774095.db2.gz	IGPLKQJSCHPLAE-LLVKDONJSA-N	0	3	316.304	2.613	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1	ZINC000289812942	335065780	/nfs/dbraw/zinc/06/57/80/335065780.db2.gz	LTBDTMXNXSMZOY-CQSZACIVSA-N	0	3	319.426	2.972	20	30		DFEDHN
N#CCN1CCC(NCc2sccc2Br)CC1	ZINC000613171068	399810477	/nfs/dbraw/zinc/81/04/77/399810477.db2.gz	JBBIIKOKQTVSKU-UHFFFAOYSA-N	0	3	314.252	2.588	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN(C2CC2)C2CCCCC2)c1	ZINC000603875007	399811495	/nfs/dbraw/zinc/81/14/95/399811495.db2.gz	FDKAAIMEQLNMSH-UHFFFAOYSA-N	0	3	311.429	2.972	20	30		DFEDHN
COC[C@]1(C)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295088442	543030199	/nfs/dbraw/zinc/03/01/99/543030199.db2.gz	JBUAXSBXAPTHJU-LJQANCHMSA-N	0	3	324.428	2.817	20	30		DFEDHN
COC[C@@]1(C)CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295088435	543030259	/nfs/dbraw/zinc/03/02/59/543030259.db2.gz	JBUAXSBXAPTHJU-IBGZPJMESA-N	0	3	324.428	2.817	20	30		DFEDHN
CC(C)c1nc(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)cs1	ZINC000329302724	543102432	/nfs/dbraw/zinc/10/24/32/543102432.db2.gz	NNFOJXGXDZUNEG-GFCCVEGCSA-N	0	3	322.478	2.549	20	30		DFEDHN
O=C(CNC(=O)C1CCCCC1)N1CCN(C2CCCC2)CC1	ZINC000329091722	543099987	/nfs/dbraw/zinc/09/99/87/543099987.db2.gz	AFYVIJDTSFOOFU-UHFFFAOYSA-N	0	3	321.465	2.610	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@@H]1CC1(C)C)C2	ZINC000329225123	543101051	/nfs/dbraw/zinc/10/10/51/543101051.db2.gz	CWICXVJJWDLJJA-NWDGAFQWSA-N	0	3	304.438	2.798	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ncc(C)o1	ZINC000329276057	543102393	/nfs/dbraw/zinc/10/23/93/543102393.db2.gz	KEFYQXXFNAXBRM-MCIONIFRSA-N	0	3	306.410	2.517	20	30		DFEDHN
Cc1cnc([C@H](C)NC(=O)N2CCCC23CCN(C)CC3)o1	ZINC000329303453	543103055	/nfs/dbraw/zinc/10/30/55/543103055.db2.gz	XHTYANVWKOAGER-ZDUSSCGKSA-N	0	3	306.410	2.518	20	30		DFEDHN
CN1CCC(CC(=O)Nc2nnc(C3CCOCC3)s2)CC1	ZINC000329328085	543103170	/nfs/dbraw/zinc/10/31/70/543103170.db2.gz	XORSFAOLGWBYTJ-UHFFFAOYSA-N	0	3	324.450	2.752	20	30		DFEDHN
C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C1=CCN(C)CC1	ZINC000329567547	543105730	/nfs/dbraw/zinc/10/57/30/543105730.db2.gz	PERUHFVYICMEEK-LBPRGKRZSA-N	0	3	313.401	2.980	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2	ZINC000329562817	543105786	/nfs/dbraw/zinc/10/57/86/543105786.db2.gz	NFQIKMMFHWKATD-BDJLRTHQSA-N	0	3	313.401	2.812	20	30		DFEDHN
CC(C)N(CC#CCN1C(=O)c2ccccc2C1=O)C1CCC1	ZINC000625253300	399867957	/nfs/dbraw/zinc/86/79/57/399867957.db2.gz	GBBCAFGJOWKTIR-UHFFFAOYSA-N	0	3	310.397	2.549	20	30		DFEDHN
CN(CCc1cnccn1)Cc1cccc(OCCCC#N)c1	ZINC000355373215	543249126	/nfs/dbraw/zinc/24/91/26/543249126.db2.gz	WGIZITWOFHOZLX-UHFFFAOYSA-N	0	3	310.401	2.834	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cncc(F)c2)CC1	ZINC000359276752	543272663	/nfs/dbraw/zinc/27/26/63/543272663.db2.gz	CNMLWXNQXKIQEY-CYBMUJFWSA-N	0	3	320.412	2.621	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@H](CNc3ccccn3)C2)cc1	ZINC000171646020	145274257	/nfs/dbraw/zinc/27/42/57/145274257.db2.gz	IGHHHSNMTKGKBJ-KRWDZBQOSA-N	0	3	322.412	2.766	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1OC	ZINC000633374171	399894570	/nfs/dbraw/zinc/89/45/70/399894570.db2.gz	ZLWDWRVEYNPGOR-CYBMUJFWSA-N	0	3	306.406	2.677	20	30		DFEDHN
C=CC[C@H](CO)NCc1cc(OC)c(Br)cc1F	ZINC000631113071	399983006	/nfs/dbraw/zinc/98/30/06/399983006.db2.gz	ZDXRWUJKABAWLL-SNVBAGLBSA-N	0	3	318.186	2.623	20	30		DFEDHN
C=CCCC1(CNC(=O)c2cnn(CCN(C)C)c2)CCCC1	ZINC000633609530	399924565	/nfs/dbraw/zinc/92/45/65/399924565.db2.gz	AMGMTFCSWBGLDM-UHFFFAOYSA-N	0	3	318.465	2.701	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000628316175	400018948	/nfs/dbraw/zinc/01/89/48/400018948.db2.gz	LJMLJCSBUCBFKO-UHFFFAOYSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2cc3c(cc2OCCOC)OCO3)C1	ZINC000628405068	400030529	/nfs/dbraw/zinc/03/05/29/400030529.db2.gz	CFHCRCZTDOFKDU-CQSZACIVSA-N	0	3	319.401	2.839	20	30		DFEDHN
Cc1nc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)oc1C	ZINC000424096231	543342164	/nfs/dbraw/zinc/34/21/64/543342164.db2.gz	BRRXSZLBHRLOQW-HNNXBMFYSA-N	0	3	312.373	2.918	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000246229289	146132194	/nfs/dbraw/zinc/13/21/94/146132194.db2.gz	FSWLLJCXAFDKCQ-WMZOPIPTSA-N	0	3	309.413	2.534	20	30		DFEDHN
CCc1nnc(NC[C@@H]2NCCc3ccccc32)c(C#N)c1CC	ZINC000261768842	146273473	/nfs/dbraw/zinc/27/34/73/146273473.db2.gz	WSEBOWFMNNTKAT-SFHVURJKSA-N	0	3	321.428	2.772	20	30		DFEDHN
C#CCN1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1	ZINC000491674535	543407594	/nfs/dbraw/zinc/40/75/94/543407594.db2.gz	KLTZCXASRNJKAR-ZFWWWQNUSA-N	0	3	308.219	2.828	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCCN1C	ZINC000354615646	147092040	/nfs/dbraw/zinc/09/20/40/147092040.db2.gz	QJDFHINJRZGPTF-MLGOLLRUSA-N	0	3	317.408	2.574	20	30		DFEDHN
N#Cc1cccc(N2CCN(c3ccnc4ccccc43)CC2)n1	ZINC000354672521	147112736	/nfs/dbraw/zinc/11/27/36/147112736.db2.gz	KKTBAWIXMVSFGP-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
C[C@@H](CCN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000354853660	147176848	/nfs/dbraw/zinc/17/68/48/147176848.db2.gz	PXVYDSUYHVPBOD-KSSFIOAISA-N	0	3	307.397	2.868	20	30		DFEDHN
C[C@H](CCN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000354853661	147177425	/nfs/dbraw/zinc/17/74/25/147177425.db2.gz	PXVYDSUYHVPBOD-RDTXWAMCSA-N	0	3	307.397	2.868	20	30		DFEDHN
C=CCOc1cccnc1C(=O)N1CCCN(C(C)(C)C)CC1	ZINC000537168910	543440153	/nfs/dbraw/zinc/44/01/53/543440153.db2.gz	YXOHUXWKUHTHOS-UHFFFAOYSA-N	0	3	317.433	2.593	20	30		DFEDHN
C[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(C#N)cc1	ZINC000357996157	148203990	/nfs/dbraw/zinc/20/39/90/148203990.db2.gz	QDMGQJRWKSUWCT-ZIAGYGMSSA-N	0	3	318.384	2.946	20	30		DFEDHN
N#Cc1ccc(NC[C@H]2CCCN(Cc3cccnc3)C2)cn1	ZINC000361780855	149217833	/nfs/dbraw/zinc/21/78/33/149217833.db2.gz	ABMILALWFXLQGN-MRXNPFEDSA-N	0	3	307.401	2.672	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](c2ccnn2C)C1	ZINC000362053978	149285760	/nfs/dbraw/zinc/28/57/60/149285760.db2.gz	RSVITTHTKXZQID-OAHLLOKOSA-N	0	3	310.401	2.680	20	30		DFEDHN
COc1ccc(C#N)cc1CN(CCO)CC1CCCCC1	ZINC000362578358	149313706	/nfs/dbraw/zinc/31/37/06/149313706.db2.gz	DBDVTFSNUYHSCQ-UHFFFAOYSA-N	0	3	302.418	2.941	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)s2)C1	ZINC000362903962	149393665	/nfs/dbraw/zinc/39/36/65/149393665.db2.gz	JNISBTYVXBOTNH-LBPRGKRZSA-N	0	3	305.447	2.860	20	30		DFEDHN
C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)CC12CCC2	ZINC000371430865	150045266	/nfs/dbraw/zinc/04/52/66/150045266.db2.gz	DGRMZNHPKDNDCE-HNNXBMFYSA-N	0	3	311.429	2.687	20	30		DFEDHN
C=Cn1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cn1	ZINC000373194386	150245909	/nfs/dbraw/zinc/24/59/09/150245909.db2.gz	BAHAXPDNNAFDTP-QGZVFWFLSA-N	0	3	307.401	2.614	20	30		DFEDHN
CN(Cc1ccc(C#N)s1)C1CCN(c2cccnn2)CC1	ZINC000374253823	150330091	/nfs/dbraw/zinc/33/00/91/150330091.db2.gz	KCFVPMNNIGPTKQ-UHFFFAOYSA-N	0	3	313.430	2.511	20	30		DFEDHN
N#Cc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)ccn1	ZINC000376384394	150570162	/nfs/dbraw/zinc/57/01/62/150570162.db2.gz	QHMSTUAWCOXVNS-UHFFFAOYSA-N	0	3	324.350	2.592	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N[C@H](C)CN1CCCCC1	ZINC000299438743	286270753	/nfs/dbraw/zinc/27/07/53/286270753.db2.gz	GEZHOLHGSQJMOJ-CYBMUJFWSA-N	0	3	316.405	2.563	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cncnc2-c2ccccc2)CC1	ZINC000290189249	335069970	/nfs/dbraw/zinc/06/99/70/335069970.db2.gz	GRYFTXRLNOOBDG-UHFFFAOYSA-N	0	3	322.412	2.524	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)cc1	ZINC000182082830	158001294	/nfs/dbraw/zinc/00/12/94/158001294.db2.gz	IINQQKGJBJZRTR-HNNXBMFYSA-N	0	3	307.397	2.809	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000172398371	287130861	/nfs/dbraw/zinc/13/08/61/287130861.db2.gz	UIFNCETXBARFHU-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)cc1	ZINC000290360809	335072789	/nfs/dbraw/zinc/07/27/89/335072789.db2.gz	QSBBVPVBSQLHEZ-DCPHZVHLSA-N	0	3	323.392	2.844	20	30		DFEDHN
CN(C)[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])c1ccccc1	ZINC000295623504	225060019	/nfs/dbraw/zinc/06/00/19/225060019.db2.gz	ATXXCHOUNXSEPF-HNNXBMFYSA-N	0	3	311.345	2.576	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)CCOc1ccc(C(F)(F)F)cc1	ZINC000682540358	545870617	/nfs/dbraw/zinc/87/06/17/545870617.db2.gz	PBUZGVLFUZNXNC-CQSZACIVSA-N	0	3	303.324	2.953	20	30		DFEDHN
C#Cc1ccc(CNCCNc2nccc(C(F)(F)F)n2)cc1	ZINC000290417169	335073259	/nfs/dbraw/zinc/07/32/59/335073259.db2.gz	QQBRCXVSHIPFND-UHFFFAOYSA-N	0	3	320.318	2.678	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1OC	ZINC000668556830	543825886	/nfs/dbraw/zinc/82/58/86/543825886.db2.gz	ZJDJELFALMBXHY-LJQANCHMSA-N	0	3	317.429	2.997	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](OC)C2CCCCC2)CC1	ZINC000668370218	543798781	/nfs/dbraw/zinc/79/87/81/543798781.db2.gz	QLERUEZAIOPAJJ-KRWDZBQOSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1OC	ZINC000668595959	543834059	/nfs/dbraw/zinc/83/40/59/543834059.db2.gz	VXPYIHJLFGHWMF-MAUKXSAKSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]([C@H]3CNC(=O)C3)C2)cc1	ZINC000671442876	544072130	/nfs/dbraw/zinc/07/21/30/544072130.db2.gz	JPZMOOSQVGYFKF-IAGOWNOFSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C	ZINC000290689779	335074405	/nfs/dbraw/zinc/07/44/05/335074405.db2.gz	INBIKODGRPODIN-MJGOQNOKSA-N	0	3	318.461	2.586	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3c2cccc3F)CC1	ZINC000184499205	335075265	/nfs/dbraw/zinc/07/52/65/335075265.db2.gz	DUSFUKIUHTYJGE-UHFFFAOYSA-N	0	3	317.408	2.938	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](C(=O)N3CCCC3)C2)c1	ZINC000290609798	335076107	/nfs/dbraw/zinc/07/61/07/335076107.db2.gz	WLZFOVZNUWFIQU-KRWDZBQOSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1	ZINC000194608599	335077956	/nfs/dbraw/zinc/07/79/56/335077956.db2.gz	OVFPXIMDYLBOPK-UHFFFAOYSA-N	0	3	317.389	2.674	20	30		DFEDHN
C=CCCOCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000673694232	544192279	/nfs/dbraw/zinc/19/22/79/544192279.db2.gz	DBFRBKWQPXOLJS-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000674100152	544220337	/nfs/dbraw/zinc/22/03/37/544220337.db2.gz	XRNNZPBXODNXGC-SJLPKXTDSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000674306970	544230597	/nfs/dbraw/zinc/23/05/97/544230597.db2.gz	CWDBDEVNXIIZDE-AEFFLSMTSA-N	0	3	316.445	2.748	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(CC)C[C@@H]1C	ZINC000674793237	544260327	/nfs/dbraw/zinc/26/03/27/544260327.db2.gz	VCJSWHIXIICZAN-ZFWWWQNUSA-N	0	3	307.463	2.786	20	30		DFEDHN
Cc1nsc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1C#N	ZINC000297492931	227240567	/nfs/dbraw/zinc/24/05/67/227240567.db2.gz	UESZTXDJCUXGBH-LLVKDONJSA-N	0	3	321.450	2.565	20	30		DFEDHN
COCC#CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000678759370	544715661	/nfs/dbraw/zinc/71/56/61/544715661.db2.gz	QVFYWSUJXUQHHK-GFCCVEGCSA-N	0	3	301.308	2.928	20	30		DFEDHN
C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000679174918	544795942	/nfs/dbraw/zinc/79/59/42/544795942.db2.gz	QUUWPGAXKQTSTQ-HZPDHXFCSA-N	0	3	312.417	2.588	20	30		DFEDHN
CN(C)CCNC(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000679421584	544851758	/nfs/dbraw/zinc/85/17/58/544851758.db2.gz	IZZSGDCMIOHJGS-UHFFFAOYSA-N	0	3	313.426	2.831	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302215967	230173874	/nfs/dbraw/zinc/17/38/74/230173874.db2.gz	OXFDYBYYNKZCRA-CHWSQXEVSA-N	0	3	302.378	2.999	20	30		DFEDHN
CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1cccs1	ZINC000302692705	230356549	/nfs/dbraw/zinc/35/65/49/230356549.db2.gz	CXKHCVXYGAETLS-LBPRGKRZSA-N	0	3	317.374	2.638	20	30		DFEDHN
CSC[C@@H](CCO)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352836501	269806487	/nfs/dbraw/zinc/80/64/87/269806487.db2.gz	MCTWEYYVVQUBQQ-GFCCVEGCSA-N	0	3	318.364	2.781	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1	ZINC000067163357	425908835	/nfs/dbraw/zinc/90/88/35/425908835.db2.gz	KWLZAXTVLQBKRP-RYQLBKOJSA-N	0	3	304.478	2.909	20	30		DFEDHN
C[C@H]1Cc2ccccc2CN1C[C@@H](O)COc1ccccc1C#N	ZINC000528393085	269896391	/nfs/dbraw/zinc/89/63/91/269896391.db2.gz	URVYFEFNZFINLK-HNAYVOBHSA-N	0	3	322.408	2.745	20	30		DFEDHN
Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413337357	269914554	/nfs/dbraw/zinc/91/45/54/269914554.db2.gz	WHQNHVJORCQGIX-LBPRGKRZSA-N	0	3	314.389	2.695	20	30		DFEDHN
Cc1csc(=O)n1CCN(C)[C@H](C)c1cccc(C#N)c1	ZINC000425540556	269922114	/nfs/dbraw/zinc/92/21/14/269922114.db2.gz	VQUOARRUSYNLSB-CYBMUJFWSA-N	0	3	301.415	2.783	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000068845690	425921955	/nfs/dbraw/zinc/92/19/55/425921955.db2.gz	DMGSAPDUNVMGCV-GOSISDBHSA-N	0	3	310.397	2.738	20	30		DFEDHN
Cc1ccccc1CN(C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000068845688	425922016	/nfs/dbraw/zinc/92/20/16/425922016.db2.gz	DMGSAPDUNVMGCV-SFHVURJKSA-N	0	3	310.397	2.738	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC(Cn2ccnn2)CC1	ZINC000155781247	425927916	/nfs/dbraw/zinc/92/79/16/425927916.db2.gz	JQYFHVOGKKRKSV-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
N#Cc1ccccc1N1CCC[C@H](NCc2ccc(F)nc2)C1	ZINC000363770343	269975528	/nfs/dbraw/zinc/97/55/28/269975528.db2.gz	TWNQOKODFFIKDD-INIZCTEOSA-N	0	3	310.376	2.851	20	30		DFEDHN
N#Cc1ccncc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425277676	269977922	/nfs/dbraw/zinc/97/79/22/269977922.db2.gz	RMOKOWOOJDUXNO-PKOBYXMFSA-N	0	3	304.397	2.664	20	30		DFEDHN
CCN1CCN(c2ccc(Nc3cncc(C#N)n3)c(C)c2)CC1	ZINC000420581170	270000694	/nfs/dbraw/zinc/00/06/94/270000694.db2.gz	HFWSROLRKSETLC-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CNCCC1(F)F	ZINC000423484449	270000769	/nfs/dbraw/zinc/00/07/69/270000769.db2.gz	RDXWNTMZYUKURQ-HOTGVXAUSA-N	0	3	305.372	2.913	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c(Cl)c1	ZINC000533181686	270002604	/nfs/dbraw/zinc/00/26/04/270002604.db2.gz	YTLMLOMFRMUFIE-CYBMUJFWSA-N	0	3	318.808	2.914	20	30		DFEDHN
CCCCN(C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000352400631	266027106	/nfs/dbraw/zinc/02/71/06/266027106.db2.gz	RXKSAOAGWYUBDY-UHFFFAOYSA-N	0	3	319.453	2.968	20	30		DFEDHN
CCN(CC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279716605	266108430	/nfs/dbraw/zinc/10/84/30/266108430.db2.gz	LVNKNQVWOPNZOL-CYBMUJFWSA-N	0	3	309.291	2.651	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1	ZINC000352696246	266150111	/nfs/dbraw/zinc/15/01/11/266150111.db2.gz	IURSGFKILQACNV-GFCCVEGCSA-N	0	3	309.360	2.686	20	30		DFEDHN
CCN1C[C@H](C)N(CCCOc2cccc(C#N)c2)C[C@H]1C	ZINC000346162223	266160129	/nfs/dbraw/zinc/16/01/29/266160129.db2.gz	KLXZPSSSTJVTAY-CVEARBPZSA-N	0	3	301.434	2.742	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCOCC2	ZINC000348519887	266298365	/nfs/dbraw/zinc/29/83/65/266298365.db2.gz	GKDOXGBHRHDUCH-JKSUJKDBSA-N	0	3	318.392	2.761	20	30		DFEDHN
CCO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCOCC2	ZINC000348519885	266302588	/nfs/dbraw/zinc/30/25/88/266302588.db2.gz	GKDOXGBHRHDUCH-HOTGVXAUSA-N	0	3	318.392	2.761	20	30		DFEDHN
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H](CC)O1	ZINC000398531364	266380107	/nfs/dbraw/zinc/38/01/07/266380107.db2.gz	RDOPAABQDKFCAW-CALCHBBNSA-N	0	3	315.417	2.776	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(C#N)ccc1OC	ZINC000343677258	266644023	/nfs/dbraw/zinc/64/40/23/266644023.db2.gz	TXKIFZMZZFUFCA-MAUKXSAKSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCCCN1CCCC[C@H]1CNC(=O)c1cc(C#N)[nH]c1C	ZINC000448845128	267006923	/nfs/dbraw/zinc/00/69/23/267006923.db2.gz	OYMDHYHIGITDFP-HNNXBMFYSA-N	0	3	302.422	2.579	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1	ZINC000361403892	267055686	/nfs/dbraw/zinc/05/56/86/267055686.db2.gz	KBBKINTYHOXXRO-RHSMWYFYSA-N	0	3	322.412	2.527	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280640148	267109276	/nfs/dbraw/zinc/10/92/76/267109276.db2.gz	ZKSHKMZHEORAOV-WWGRRREGSA-N	0	3	313.426	2.593	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCCN1C	ZINC000342337459	267110250	/nfs/dbraw/zinc/11/02/50/267110250.db2.gz	CTNYCZAJJNEFBI-TZMCWYRMSA-N	0	3	317.437	2.719	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)[C@H]1SC	ZINC000459561386	267152690	/nfs/dbraw/zinc/15/26/90/267152690.db2.gz	LLUKFVFVNYXNHM-NUEKZKHPSA-N	0	3	306.431	2.565	20	30		DFEDHN
CCO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1C	ZINC000451525516	267155894	/nfs/dbraw/zinc/15/58/94/267155894.db2.gz	MTQDVFJZLOPFSJ-OCCSQVGLSA-N	0	3	321.446	2.695	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000188578994	267156036	/nfs/dbraw/zinc/15/60/36/267156036.db2.gz	GYVMBFVPTXXWQI-QWHCGFSZSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C)C1	ZINC000337338982	267158934	/nfs/dbraw/zinc/15/89/34/267158934.db2.gz	OGXGYLCGTFJAQK-ZIAGYGMSSA-N	0	3	300.406	2.800	20	30		DFEDHN
CCS[C@@H]1CC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1	ZINC000515384203	267181393	/nfs/dbraw/zinc/18/13/93/267181393.db2.gz	DGNDIJJUFIWZKP-LSDHHAIUSA-N	0	3	315.446	2.707	20	30		DFEDHN
CC[C@@H](C)N1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000450858743	267185001	/nfs/dbraw/zinc/18/50/01/267185001.db2.gz	LXPVCDZINJCTNN-LLVKDONJSA-N	0	3	312.339	2.893	20	30		DFEDHN
C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1	ZINC000341999999	267185344	/nfs/dbraw/zinc/18/53/44/267185344.db2.gz	XICMYQFQRAQMEV-LBPRGKRZSA-N	0	3	312.373	2.513	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000352833937	267217342	/nfs/dbraw/zinc/21/73/42/267217342.db2.gz	UHFYVOOFRUBXCA-ZDUSSCGKSA-N	0	3	317.408	2.528	20	30		DFEDHN
C[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1	ZINC000345454908	267222485	/nfs/dbraw/zinc/22/24/85/267222485.db2.gz	PNEXQRRGGBQDJH-YJBOKZPZSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(C(F)(F)F)c(C#N)n1	ZINC000337008879	267227688	/nfs/dbraw/zinc/22/76/88/267227688.db2.gz	DFHNRKBQNGWSNB-TVQRCGJNSA-N	0	3	310.323	2.867	20	30		DFEDHN
C[C@H]1[C@@H](NCc2nc(C#N)cs2)CCN1Cc1ccccc1	ZINC000352906425	267250388	/nfs/dbraw/zinc/25/03/88/267250388.db2.gz	VZZXXXRZTQWPPD-BBRMVZONSA-N	0	3	312.442	2.767	20	30		DFEDHN
CN(C)[C@H](CC(=O)NCCc1cccc(C#N)c1)c1ccccc1	ZINC000416222780	267287134	/nfs/dbraw/zinc/28/71/34/267287134.db2.gz	FSOGLMPRKFMTGN-LJQANCHMSA-N	0	3	321.424	2.910	20	30		DFEDHN
CN(C)[C@H](CNC(=O)c1cscc1C#N)Cc1ccccc1	ZINC000432049761	267289254	/nfs/dbraw/zinc/28/92/54/267289254.db2.gz	XKFBNJDINCUULQ-HNNXBMFYSA-N	0	3	313.426	2.522	20	30		DFEDHN
Cc1c(CNCCSCc2ccccc2C#N)cnn1C	ZINC000270175995	267294107	/nfs/dbraw/zinc/29/41/07/267294107.db2.gz	DPYFPNHENSAASD-UHFFFAOYSA-N	0	3	300.431	2.623	20	30		DFEDHN
Cc1cc(NC[C@@H]2CCCN2Cc2ccccc2)c(C#N)cn1	ZINC000399602397	267299921	/nfs/dbraw/zinc/29/99/21/267299921.db2.gz	VTSAUSYMWGDORL-SFHVURJKSA-N	0	3	306.413	2.760	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000346239161	267307355	/nfs/dbraw/zinc/30/73/55/267307355.db2.gz	OUIHBINSEBKHOW-JCKWVBRZSA-N	0	3	311.429	2.669	20	30		DFEDHN
CN(c1ncc(C#N)cc1F)[C@H]1CCN(Cc2ccccc2)C1	ZINC000413209587	267328582	/nfs/dbraw/zinc/32/85/82/267328582.db2.gz	UUPVLTRRFKDZOC-INIZCTEOSA-N	0	3	310.376	2.803	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000435257809	267339424	/nfs/dbraw/zinc/33/94/24/267339424.db2.gz	OGUAZZOUDZBPFT-SJLPKXTDSA-N	0	3	323.440	2.533	20	30		DFEDHN
COC(=O)CC1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000440789629	267357625	/nfs/dbraw/zinc/35/76/25/267357625.db2.gz	BLEUVWQHNXBVAB-UHFFFAOYSA-N	0	3	310.397	2.991	20	30		DFEDHN
COC(=O)N1CCC(CN[C@H](C)c2ccc(C#N)cc2F)CC1	ZINC000495751630	267374372	/nfs/dbraw/zinc/37/43/72/267374372.db2.gz	AUJWTQHDZWKKJC-GFCCVEGCSA-N	0	3	319.380	2.826	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2OC)[C@H]1C(C)C	ZINC000429350589	267385887	/nfs/dbraw/zinc/38/58/87/267385887.db2.gz	CKFBZAIZLOOKIC-RDJZCZTQSA-N	0	3	316.401	2.586	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)/C=C/c2cccc(C#N)c2)c1	ZINC000025148229	267387574	/nfs/dbraw/zinc/38/75/74/267387574.db2.gz	KJCGMBQOJGROAP-MDZDMXLPSA-N	0	3	319.408	2.949	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	ZINC000451483628	267564955	/nfs/dbraw/zinc/56/49/55/267564955.db2.gz	YJVUONKJHINSAA-OIISXLGYSA-N	0	3	300.402	2.860	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)CC(C)C	ZINC000444024282	267614390	/nfs/dbraw/zinc/61/43/90/267614390.db2.gz	WNTQZWXADOWDON-UHFFFAOYSA-N	0	3	318.421	2.618	20	30		DFEDHN
C[C@H](CNCc1ccc(C#N)cc1F)CNC(=O)OC(C)(C)C	ZINC000493980425	267823902	/nfs/dbraw/zinc/82/39/02/267823902.db2.gz	AESFUPQGNILMMS-GFCCVEGCSA-N	0	3	321.396	2.948	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)n1	ZINC000041518010	425852032	/nfs/dbraw/zinc/85/20/32/425852032.db2.gz	AOPDTBZZJHJIRX-LBPRGKRZSA-N	0	3	311.366	2.826	20	30		DFEDHN
N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccn1	ZINC000041482531	425852090	/nfs/dbraw/zinc/85/20/90/425852090.db2.gz	ZBDDEENZDMKAEX-LLVKDONJSA-N	0	3	321.258	2.908	20	30		DFEDHN
COC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1	ZINC000041497837	425852189	/nfs/dbraw/zinc/85/21/89/425852189.db2.gz	DVUYBFJFJWGUDS-ZDUSSCGKSA-N	0	3	319.320	2.840	20	30		DFEDHN
Cc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1CN(C)C	ZINC000529482176	268006363	/nfs/dbraw/zinc/00/63/63/268006363.db2.gz	MQTFEZCZSXULFX-UHFFFAOYSA-N	0	3	308.385	2.505	20	30		DFEDHN
Cc1cc(NC(=O)COc2ccc(C#N)cc2)ccc1CN(C)C	ZINC000458321640	268006678	/nfs/dbraw/zinc/00/66/78/268006678.db2.gz	QSUDZHRSTOYRPW-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000191716558	268011302	/nfs/dbraw/zinc/01/13/02/268011302.db2.gz	IDRLHBBBRFSBDY-AXFHLTTASA-N	0	3	309.797	2.552	20	30		DFEDHN
Cc1ccc(NC(=O)CCN(C)Cc2cccc(C#N)c2)nc1	ZINC000446989796	268038667	/nfs/dbraw/zinc/03/86/67/268038667.db2.gz	GYAQFEYXPFDWJB-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)cc1	ZINC000352437253	268052763	/nfs/dbraw/zinc/05/27/63/268052763.db2.gz	DZBIDUFYXFIZID-GOSISDBHSA-N	0	3	323.440	2.677	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2c(F)cccc2Cl)o1	ZINC000344628240	268073916	/nfs/dbraw/zinc/07/39/16/268073916.db2.gz	MGIMSUYTMPGUSK-NSHDSACASA-N	0	3	322.767	2.885	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCCC[C@@H]2C(F)F)cc1	ZINC000330403967	268088139	/nfs/dbraw/zinc/08/81/39/268088139.db2.gz	MKJMWLYPWYYJGI-HUUCEWRRSA-N	0	3	317.339	2.887	20	30		DFEDHN
CN(CCCNC(=O)Cc1ccc(C#N)cc1)Cc1ccccc1	ZINC000194719678	268113092	/nfs/dbraw/zinc/11/30/92/268113092.db2.gz	AWURKJDOGNUKBA-UHFFFAOYSA-N	0	3	321.424	2.739	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1	ZINC000274233124	268115558	/nfs/dbraw/zinc/11/55/58/268115558.db2.gz	TUTZLPZZCJWAOM-JZXOWHBKSA-N	0	3	322.412	2.726	20	30		DFEDHN
CC(C)CN(C(=O)Cc1ccc(C#N)cc1)C1CCN(C)CC1	ZINC000195233980	268130575	/nfs/dbraw/zinc/13/05/75/268130575.db2.gz	IVMGFLQKGKNOBA-UHFFFAOYSA-N	0	3	313.445	2.680	20	30		DFEDHN
N#Cc1cc(Nc2cccc(CN3CCSCC3)c2)ncn1	ZINC000515551024	268190323	/nfs/dbraw/zinc/19/03/23/268190323.db2.gz	VFEIXVMYEIICTH-UHFFFAOYSA-N	0	3	311.414	2.641	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1	ZINC000521632469	268218359	/nfs/dbraw/zinc/21/83/59/268218359.db2.gz	SJGWZPYNOXLQIF-ZBFHGGJFSA-N	0	3	315.373	2.715	20	30		DFEDHN
N#Cc1ccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(Cl)c1	ZINC000451311243	268224016	/nfs/dbraw/zinc/22/40/16/268224016.db2.gz	YNCHQAHNTNARBC-INMHGKMJSA-N	0	3	320.820	2.573	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(F)cc2)cc1F	ZINC000421323651	268233439	/nfs/dbraw/zinc/23/34/39/268233439.db2.gz	ITYYQZCYZZUZBO-HNNXBMFYSA-N	0	3	316.351	2.777	20	30		DFEDHN
N#Cc1cccc(C2(NCc3ccc(-n4cncn4)cc3)CC2)c1	ZINC000341237471	268241486	/nfs/dbraw/zinc/24/14/86/268241486.db2.gz	MLHHEMDTFGLCOY-UHFFFAOYSA-N	0	3	315.380	2.918	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCCC2(CCOCC2)C1	ZINC000270977788	268243247	/nfs/dbraw/zinc/24/32/47/268243247.db2.gz	BRKVRBYHTIMEBU-UHFFFAOYSA-N	0	3	300.402	2.959	20	30		DFEDHN
N#Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1F	ZINC000529101142	268245258	/nfs/dbraw/zinc/24/52/58/268245258.db2.gz	LAOVUXDGAZXOCW-OAHLLOKOSA-N	0	3	316.380	2.836	20	30		DFEDHN
N#Cc1cccc(/C=C\C(=O)NC[C@@H]2CCCCN2C2CC2)c1	ZINC000493820609	268269009	/nfs/dbraw/zinc/26/90/09/268269009.db2.gz	VUORUYOSIWOGJH-VOCYLRNQSA-N	0	3	309.413	2.705	20	30		DFEDHN
N#Cc1cccc(OCCN2C[C@@H](O)C[C@@H]2c2ccccc2)c1	ZINC000411958069	268284394	/nfs/dbraw/zinc/28/43/94/268284394.db2.gz	XDKVIDPOXRKMRO-PKOBYXMFSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1ccnc(N2CCN(c3ccnc4ccccc43)CC2)c1	ZINC000346601541	268295304	/nfs/dbraw/zinc/29/53/04/268295304.db2.gz	IACOSDARTFAGOZ-UHFFFAOYSA-N	0	3	315.380	2.828	20	30		DFEDHN
N#Cc1ccsc1C(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000529719511	268305945	/nfs/dbraw/zinc/30/59/45/268305945.db2.gz	MSFHHRQNKYKHRR-CQSZACIVSA-N	0	3	303.431	2.757	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(c2ccc(C#N)cn2)C1	ZINC000323751701	268350169	/nfs/dbraw/zinc/35/01/69/268350169.db2.gz	DRFSOEVVQRDKPI-INIZCTEOSA-N	0	3	306.413	2.912	20	30		DFEDHN
CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C#N)cc2)CC1	ZINC000071838591	425994639	/nfs/dbraw/zinc/99/46/39/425994639.db2.gz	IIBNPJWXBZAFCZ-UHFFFAOYSA-N	0	3	323.396	2.888	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)SCCN(C)C	ZINC000157910307	425939726	/nfs/dbraw/zinc/93/97/26/425939726.db2.gz	NUSMQPJESBNNDS-ZDUSSCGKSA-N	0	3	312.504	2.946	20	30		DFEDHN
CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCCO1	ZINC000103480667	425950059	/nfs/dbraw/zinc/95/00/59/425950059.db2.gz	ZFYVMEGFXYCWJT-CQSZACIVSA-N	0	3	321.808	2.651	20	30		DFEDHN
C[C@H]1C[C@@H](N(C)c2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000125169238	425956024	/nfs/dbraw/zinc/95/60/24/425956024.db2.gz	MIMYOSIHVGLGDD-YJBOKZPZSA-N	0	3	321.428	2.838	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(OCC)cc2)CC1	ZINC000106039804	425970009	/nfs/dbraw/zinc/97/00/09/425970009.db2.gz	HCFBHYPIVPYSBC-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CSc2ccccc2)CC1	ZINC000106040367	425970144	/nfs/dbraw/zinc/97/01/44/425970144.db2.gz	NWLUREPBDDRGGV-UHFFFAOYSA-N	0	3	304.459	2.935	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccccc2)CC1	ZINC000106039301	425970689	/nfs/dbraw/zinc/97/06/89/425970689.db2.gz	CTLVYYILSTWFMH-HNNXBMFYSA-N	0	3	302.418	2.611	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2ccc(OC)cc2)CC1	ZINC000106037959	425970735	/nfs/dbraw/zinc/97/07/35/425970735.db2.gz	WQTJRCIPEGMPNF-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(N(C)C)c2)CC1	ZINC000106291182	425972174	/nfs/dbraw/zinc/97/21/74/425972174.db2.gz	JQFMHCKEZMIVOZ-UHFFFAOYSA-N	0	3	301.434	2.523	20	30		DFEDHN
COc1cccc([C@H](CNCc2ccc(C#N)cc2)N(C)C)c1	ZINC000070742659	425975060	/nfs/dbraw/zinc/97/50/60/425975060.db2.gz	GNMGEQSURKEEBC-IBGZPJMESA-N	0	3	309.413	2.959	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc2c1OCCO2	ZINC000126521448	426023847	/nfs/dbraw/zinc/02/38/47/426023847.db2.gz	WXLCDDOREDTTNN-GOEBONIOSA-N	0	3	303.402	2.922	20	30		DFEDHN
CN(CCn1cc(Br)cn1)Cc1cccc(C#N)c1	ZINC000111200039	426037176	/nfs/dbraw/zinc/03/71/76/426037176.db2.gz	PUZHLHPJYKAOAE-UHFFFAOYSA-N	0	3	319.206	2.649	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000111512066	426052685	/nfs/dbraw/zinc/05/26/85/426052685.db2.gz	AFVKGYPROUPTAQ-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
CCN(CCCSCC#N)C[C@H]1COc2ccccc2O1	ZINC000074980729	426059670	/nfs/dbraw/zinc/05/96/70/426059670.db2.gz	XYBJXHDRTRHNKX-AWEZNQCLSA-N	0	3	306.431	2.795	20	30		DFEDHN
N#CCSCCCN1CCC(NC(=O)c2ccsc2)CC1	ZINC000074989103	426060261	/nfs/dbraw/zinc/06/02/61/426060261.db2.gz	DBJIUTROXYUGCO-UHFFFAOYSA-N	0	3	323.487	2.589	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN1CCCSCC#N	ZINC000074990721	426060529	/nfs/dbraw/zinc/06/05/29/426060529.db2.gz	IWPDEOLBWPORPR-MRXNPFEDSA-N	0	3	303.475	2.840	20	30		DFEDHN
CC1(C)CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163155061	426091474	/nfs/dbraw/zinc/09/14/74/426091474.db2.gz	GIKNUVLGBUXXFH-INIZCTEOSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1ccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000127951543	426094573	/nfs/dbraw/zinc/09/45/73/426094573.db2.gz	JKNANAVUHXNPTG-AEFFLSMTSA-N	0	3	300.402	2.564	20	30		DFEDHN
CC[C@@H](SC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000127994799	426096125	/nfs/dbraw/zinc/09/61/25/426096125.db2.gz	BYUWXYFUWKFNAL-MRXNPFEDSA-N	0	3	319.474	2.590	20	30		DFEDHN
CCS[C@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1	ZINC000076068345	426097065	/nfs/dbraw/zinc/09/70/65/426097065.db2.gz	SYHRZOXWXZVUJG-CABCVRRESA-N	0	3	323.506	2.935	20	30		DFEDHN
CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1	ZINC000076068342	426098400	/nfs/dbraw/zinc/09/84/00/426098400.db2.gz	SYHRZOXWXZVUJG-HUUCEWRRSA-N	0	3	323.506	2.935	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000128145077	426103741	/nfs/dbraw/zinc/10/37/41/426103741.db2.gz	CTWYYLGVLSQMFT-CJNGLKHVSA-N	0	3	306.431	2.500	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c1	ZINC000076396654	426110249	/nfs/dbraw/zinc/11/02/49/426110249.db2.gz	UEELNDOIBXQHEB-QGZVFWFLSA-N	0	3	317.396	2.981	20	30		DFEDHN
N#Cc1cccc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1	ZINC000076396657	426111328	/nfs/dbraw/zinc/11/13/28/426111328.db2.gz	UEELNDOIBXQHEB-KRWDZBQOSA-N	0	3	317.396	2.981	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000128528422	426121255	/nfs/dbraw/zinc/12/12/55/426121255.db2.gz	GCHPMJVPPGVXGX-HNNXBMFYSA-N	0	3	301.434	2.833	20	30		DFEDHN
Cc1ccc(C#N)c(N2CCCN(Cc3ccccc3)CC2)n1	ZINC000127615145	426076746	/nfs/dbraw/zinc/07/67/46/426076746.db2.gz	LTRAUPDXYVNGSX-UHFFFAOYSA-N	0	3	306.413	2.974	20	30		DFEDHN
CCCN1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000112425120	426078321	/nfs/dbraw/zinc/07/83/21/426078321.db2.gz	ZJODUTBLOQGTNN-UHFFFAOYSA-N	0	3	304.369	2.647	20	30		DFEDHN
C[C@@H](CN1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000116876885	426200613	/nfs/dbraw/zinc/20/06/13/426200613.db2.gz	ZLBHWPZFPFIZKR-INIZCTEOSA-N	0	3	306.413	2.879	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000116959970	426202678	/nfs/dbraw/zinc/20/26/78/426202678.db2.gz	WCFRVRATPOMXHI-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@](C)(O)C2)ccc1OC	ZINC000129584896	426140138	/nfs/dbraw/zinc/14/01/38/426140138.db2.gz	VNRJVOVLHCIOIK-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCc1cc(CN2CCN(CC3CC3)CC2)cc(OC)c1O	ZINC000130653579	426162501	/nfs/dbraw/zinc/16/25/01/426162501.db2.gz	ZGWJJUHDZWLWIR-UHFFFAOYSA-N	0	3	316.445	2.657	20	30		DFEDHN
Cc1ccc([C@@H](CNC(=O)C2(C#N)CCC2)N2CCCC2)cc1	ZINC000134718140	426192578	/nfs/dbraw/zinc/19/25/78/426192578.db2.gz	BFNFUUOKUHGSHP-QGZVFWFLSA-N	0	3	311.429	2.942	20	30		DFEDHN
C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)cc2)CN1Cc1ccccc1	ZINC000134917759	426199259	/nfs/dbraw/zinc/19/92/59/426199259.db2.gz	WNRCZPIKJHJVNY-HNAYVOBHSA-N	0	3	319.408	2.951	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@H]1CSC	ZINC000135454794	426217738	/nfs/dbraw/zinc/21/77/38/426217738.db2.gz	VNTVEPADIHKQJB-AWEZNQCLSA-N	0	3	306.431	2.773	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CCC)CC2)cc1OC	ZINC000171919282	426218749	/nfs/dbraw/zinc/21/87/49/426218749.db2.gz	PZGOKODASULHEN-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000081574192	426224888	/nfs/dbraw/zinc/22/48/88/426224888.db2.gz	MLVBKUMBMSWLBT-BPAFIMBUSA-N	0	3	322.408	2.991	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccccn2)CC1	ZINC000084157969	426232822	/nfs/dbraw/zinc/23/28/22/426232822.db2.gz	KVZNYMYOVXAKKD-UHFFFAOYSA-N	0	3	316.449	2.654	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccnn2CCO)CC1	ZINC000118396070	426235343	/nfs/dbraw/zinc/23/53/43/426235343.db2.gz	KHENMPTWDDVQIN-OAHLLOKOSA-N	0	3	324.428	2.688	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000118818516	426246601	/nfs/dbraw/zinc/24/66/01/426246601.db2.gz	IIGCOJQVZXKVSS-GFCCVEGCSA-N	0	3	304.369	2.503	20	30		DFEDHN
C[C@@H](CNCc1cnc2ccc(C#N)cn12)Oc1cccc(F)c1	ZINC000174581054	426260722	/nfs/dbraw/zinc/26/07/22/426260722.db2.gz	POTIWXANOUUQRV-ZDUSSCGKSA-N	0	3	324.359	2.902	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000119206690	426270758	/nfs/dbraw/zinc/27/07/58/426270758.db2.gz	ORYSDRHNICCEKQ-DZGCQCFKSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)c(F)c2)CC1	ZINC000171739585	426208068	/nfs/dbraw/zinc/20/80/68/426208068.db2.gz	PRGSRJWTXGWANU-UHFFFAOYSA-N	0	3	323.387	2.757	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1	ZINC000171726620	426208176	/nfs/dbraw/zinc/20/81/76/426208176.db2.gz	YTWGIZLUJCYYKW-CYBMUJFWSA-N	0	3	322.836	2.874	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1	ZINC000171755549	426208794	/nfs/dbraw/zinc/20/87/94/426208794.db2.gz	IKYRYSQDUGYGPR-CABCVRRESA-N	0	3	320.383	2.835	20	30		DFEDHN
N#Cc1ccc(OCCCN2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152191752	426331228	/nfs/dbraw/zinc/33/12/28/426331228.db2.gz	HKVQSRLHNPBMTI-IBGZPJMESA-N	0	3	323.396	2.875	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCCN(CC(F)F)CC2)cc1	ZINC000091082779	426337205	/nfs/dbraw/zinc/33/72/05/426337205.db2.gz	SSPUBIGFBVHSPC-UHFFFAOYSA-N	0	3	323.387	2.600	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C#N)[nH]1	ZINC000122798926	426395070	/nfs/dbraw/zinc/39/50/70/426395070.db2.gz	BRBATOBFCKYHCN-UHFFFAOYSA-N	0	3	310.401	2.610	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1	ZINC000176598280	426396188	/nfs/dbraw/zinc/39/61/88/426396188.db2.gz	LNJZXHVHMDRDLD-INMHGKMJSA-N	0	3	305.466	2.999	20	30		DFEDHN
CCN(CC)[C@H](CNc1cnc(C#N)cn1)c1ccsc1	ZINC000121488515	426346754	/nfs/dbraw/zinc/34/67/54/426346754.db2.gz	YBKRDPFNBQKXKS-CQSZACIVSA-N	0	3	301.419	2.905	20	30		DFEDHN
C[C@H]1CCC[C@H](CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1	ZINC000092800809	426352338	/nfs/dbraw/zinc/35/23/38/426352338.db2.gz	JDXYRZSAGOSFPA-JYJNAYRXSA-N	0	3	313.449	2.685	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](C)c2ccc(OC)cc2)CC1	ZINC000176285304	426366143	/nfs/dbraw/zinc/36/61/43/426366143.db2.gz	GBYWFHBNPXNKRB-HNNXBMFYSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1	ZINC000153116721	426371920	/nfs/dbraw/zinc/37/19/20/426371920.db2.gz	ZEFARLVAVZTRMA-CYBMUJFWSA-N	0	3	318.465	2.677	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccnc(Cl)c2F)CC1	ZINC000153117814	426371978	/nfs/dbraw/zinc/37/19/78/426371978.db2.gz	GFFVUNGGVVNHCO-UHFFFAOYSA-N	0	3	311.788	2.644	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)n2)CC1	ZINC000176396352	426378293	/nfs/dbraw/zinc/37/82/93/426378293.db2.gz	BAOVKJWYDTUAPZ-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
CCCN(CCN(CC)CC)CC(=O)Nc1ccc(C#N)cc1	ZINC000122566462	426381963	/nfs/dbraw/zinc/38/19/63/426381963.db2.gz	RLNFLSHTEDHZEW-UHFFFAOYSA-N	0	3	316.449	2.551	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2ccncc2)CC1	ZINC000176497565	426387745	/nfs/dbraw/zinc/38/77/45/426387745.db2.gz	XLEFCBUQTWSLRE-KRWDZBQOSA-N	0	3	316.449	2.872	20	30		DFEDHN
COCCN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1	ZINC000122686791	426388985	/nfs/dbraw/zinc/38/89/85/426388985.db2.gz	JXCPADXIOXUONW-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
C[C@@H](CNCc1cnc2ccc(C#N)cn12)N(C)c1ccccc1	ZINC000123299467	426424984	/nfs/dbraw/zinc/42/49/84/426424984.db2.gz	CKBIISOCJIDRID-HNNXBMFYSA-N	0	3	319.412	2.820	20	30		DFEDHN
N#Cc1ccc(CNCCC2CCN(CC(F)(F)F)CC2)o1	ZINC000176986353	426431165	/nfs/dbraw/zinc/43/11/65/426431165.db2.gz	IROYGGVCPXCCOA-UHFFFAOYSA-N	0	3	315.339	2.905	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000154252207	426432614	/nfs/dbraw/zinc/43/26/14/426432614.db2.gz	QCYSGIRDOCUZCS-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1oc(NC(=O)CN(C)C(C2CC2)C2CC2)c(C#N)c1C	ZINC000154346799	426437071	/nfs/dbraw/zinc/43/70/71/426437071.db2.gz	YUCDZDGFDVYLCK-UHFFFAOYSA-N	0	3	301.390	2.827	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](NCc2ccc(C#N)s2)C1	ZINC000154409679	426439046	/nfs/dbraw/zinc/43/90/46/426439046.db2.gz	GHSRDPKQTHRARB-CYBMUJFWSA-N	0	3	313.426	2.997	20	30		DFEDHN
Cc1ccccc1[C@H](C)NCC(=O)NCc1cccc(C#N)c1	ZINC000341060419	269036492	/nfs/dbraw/zinc/03/64/92/269036492.db2.gz	NPTJVTQDUNKADJ-HNNXBMFYSA-N	0	3	307.397	2.834	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1ccc(C#N)[nH]1)c1ccccc1	ZINC000154638187	426449316	/nfs/dbraw/zinc/44/93/16/426449316.db2.gz	VGPGZVNTTVTDHE-QGZVFWFLSA-N	0	3	310.401	2.699	20	30		DFEDHN
CN(C)CCNC(=O)c1ccccc1Oc1ccccc1C#N	ZINC000155199347	426465359	/nfs/dbraw/zinc/46/53/59/426465359.db2.gz	QNXTWXDAUWGJBG-UHFFFAOYSA-N	0	3	309.369	2.642	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)COc1ccccc1C#N	ZINC000177356114	426471161	/nfs/dbraw/zinc/47/11/61/426471161.db2.gz	BYVWVDFUCOEGMX-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000155446293	426472381	/nfs/dbraw/zinc/47/23/81/426472381.db2.gz	OENYGQHOQLWILK-YJBOKZPZSA-N	0	3	301.434	2.915	20	30		DFEDHN
N#CC(C(=O)NC1CCCCC1)c1nccn1Cc1ccccc1	ZINC000155464869	426472469	/nfs/dbraw/zinc/47/24/69/426472469.db2.gz	SXWZNLJXZCJIER-QGZVFWFLSA-N	0	3	322.412	2.987	20	30		DFEDHN
CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(OC)cc1	ZINC000124173729	426473555	/nfs/dbraw/zinc/47/35/55/426473555.db2.gz	LOZROPLATVZSOX-AEFFLSMTSA-N	0	3	315.417	2.544	20	30		DFEDHN
N#CC1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCCC1	ZINC000098093461	426478306	/nfs/dbraw/zinc/47/83/06/426478306.db2.gz	QLGAMZLZWRVBKR-QGZVFWFLSA-N	0	3	311.429	2.851	20	30		DFEDHN
Cc1nc(C)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)s1	ZINC000280177649	426512819	/nfs/dbraw/zinc/51/28/19/426512819.db2.gz	CRISCRITRVJLKY-OAHLLOKOSA-N	0	3	324.409	2.630	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195303641	426512971	/nfs/dbraw/zinc/51/29/71/426512971.db2.gz	WBIUYXQFWROHRZ-OWCLPIDISA-N	0	3	301.434	2.660	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2nc(C(C)C)cs2)CC1	ZINC000177835913	426529045	/nfs/dbraw/zinc/52/90/45/426529045.db2.gz	WDVABINPRRYHMY-UHFFFAOYSA-N	0	3	322.478	2.716	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(F)cc1C#N	ZINC000177894392	426535122	/nfs/dbraw/zinc/53/51/22/426535122.db2.gz	NJLYKGWDASCGHD-GFCCVEGCSA-N	0	3	304.369	2.503	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1	ZINC000264356686	426542963	/nfs/dbraw/zinc/54/29/63/426542963.db2.gz	FCDDXALPDMSSGZ-CQSZACIVSA-N	0	3	305.422	2.989	20	30		DFEDHN
CC(C)(O)C(C)(C)NCc1ccc(C#N)cc1Br	ZINC000272540813	426553227	/nfs/dbraw/zinc/55/32/27/426553227.db2.gz	FPYZFTSGFHZAQT-UHFFFAOYSA-N	0	3	311.223	2.960	20	30		DFEDHN
C[C@@H]1Oc2ccccc2OC1C(=O)N(CC#N)c1ccccc1	ZINC000194662410	426490324	/nfs/dbraw/zinc/49/03/24/426490324.db2.gz	OBLABZVCFVQVRZ-GUYCJALGSA-N	0	3	308.337	2.772	20	30		DFEDHN
CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C#N)cc1C)CC2	ZINC000186239557	426497048	/nfs/dbraw/zinc/49/70/48/426497048.db2.gz	ARTAHPSIPCVPSR-ZWKOTPCHSA-N	0	3	314.429	2.619	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2ccc(F)cc2)CC1	ZINC000264514171	426566893	/nfs/dbraw/zinc/56/68/93/426566893.db2.gz	USPYZAJCTYBDPP-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCNc2ccccc2C)CC1	ZINC000264524284	426568942	/nfs/dbraw/zinc/56/89/42/426568942.db2.gz	XXQPRNBSAWUWAE-UHFFFAOYSA-N	0	3	315.461	2.954	20	30		DFEDHN
COc1ccc(CN2CCC(c3cc(C)[nH]n3)CC2)cc1C#N	ZINC000273036029	426580584	/nfs/dbraw/zinc/58/05/84/426580584.db2.gz	VNWVWYUJOQCJLQ-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1ccc(CN2CCC(c3cc(C)n[nH]3)CC2)cc1C#N	ZINC000273036029	426580587	/nfs/dbraw/zinc/58/05/87/426580587.db2.gz	VNWVWYUJOQCJLQ-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
C[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1	ZINC000265333300	426621264	/nfs/dbraw/zinc/62/12/64/426621264.db2.gz	NAPZXXIPDHBVRW-MRXNPFEDSA-N	0	3	306.413	2.879	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@](C)(OC)CC1	ZINC000280550228	426598412	/nfs/dbraw/zinc/59/84/12/426598412.db2.gz	QJEJLFSOZNGWHC-SFHVURJKSA-N	0	3	318.417	2.837	20	30		DFEDHN
C=CCS(=O)(=O)CCNC1CC(c2ccc(Cl)cc2)C1	ZINC000273147427	426600280	/nfs/dbraw/zinc/60/02/80/426600280.db2.gz	GSYHZNAROIUJHO-UHFFFAOYSA-N	0	3	313.850	2.776	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2OC)CC1	ZINC000264446543	426555978	/nfs/dbraw/zinc/55/59/78/426555978.db2.gz	XSMFXFVNURDLQW-AWEZNQCLSA-N	0	3	317.433	2.706	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2ccccc2Cl)CC1	ZINC000264459433	426557350	/nfs/dbraw/zinc/55/73/50/426557350.db2.gz	FNQUEJIYGDMDCL-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2CC)CC1	ZINC000264474418	426559202	/nfs/dbraw/zinc/55/92/02/426559202.db2.gz	JYKWYGOYTIOQMA-UHFFFAOYSA-N	0	3	318.465	2.581	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@]3(C2)OCc2ccccc23)cc1	ZINC000186598625	426560879	/nfs/dbraw/zinc/56/08/79/426560879.db2.gz	MRXVQBJPAYJMPE-VQTJNVASSA-N	0	3	320.392	2.723	20	30		DFEDHN
C[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H](c1ccccc1)N(C)C	ZINC000187192826	426637645	/nfs/dbraw/zinc/63/76/45/426637645.db2.gz	KTMSHDSANICQHG-RDTXWAMCSA-N	0	3	307.397	2.979	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NCCN1CCCC[C@@H]1C	ZINC000178539402	426651049	/nfs/dbraw/zinc/65/10/49/426651049.db2.gz	WRNOVWBXZYMRJJ-ZDUSSCGKSA-N	0	3	300.406	2.863	20	30		DFEDHN
C=CCCCN(C)C(=O)NCc1ccccc1OCCN(C)C	ZINC000265534567	426651579	/nfs/dbraw/zinc/65/15/79/426651579.db2.gz	JTMBDPKANJIZGD-UHFFFAOYSA-N	0	3	319.449	2.735	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1CCCN1C	ZINC000280840290	426668171	/nfs/dbraw/zinc/66/81/71/426668171.db2.gz	PAVIHTYWVUSRME-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000273467679	426669199	/nfs/dbraw/zinc/66/91/99/426669199.db2.gz	JASMUUSDHXLTRI-SNVBAGLBSA-N	0	3	322.883	2.624	20	30		DFEDHN
CC[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1	ZINC000280888415	426678371	/nfs/dbraw/zinc/67/83/71/426678371.db2.gz	DZQKQIJCVVMCFO-OAHLLOKOSA-N	0	3	306.431	2.566	20	30		DFEDHN
CCN1CCC(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000454367540	269654374	/nfs/dbraw/zinc/65/43/74/269654374.db2.gz	OICCBGGLWDUPEZ-UHFFFAOYSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1OC	ZINC000273681996	426709164	/nfs/dbraw/zinc/70/91/64/426709164.db2.gz	HDMNKWZVUZTATL-OLMNPRSZSA-N	0	3	321.417	2.542	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000281053065	426700722	/nfs/dbraw/zinc/70/07/22/426700722.db2.gz	RBOCSIYRYQMTBA-RCCFBDPRSA-N	0	3	320.477	2.593	20	30		DFEDHN
COc1cc(CN[C@@H]2CCN(c3ccccc3)C2)ccc1C#N	ZINC000281828468	426774596	/nfs/dbraw/zinc/77/45/96/426774596.db2.gz	XMYWOADXRSZXGS-QGZVFWFLSA-N	0	3	307.397	2.935	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)Cc1ccccc1	ZINC000188692218	426778300	/nfs/dbraw/zinc/77/83/00/426778300.db2.gz	RHCMGTNSYVPSKZ-QFBILLFUSA-N	0	3	318.461	2.852	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1	ZINC000245965398	426788129	/nfs/dbraw/zinc/78/81/29/426788129.db2.gz	YWZHXPCWPREPDF-QAPCUYQASA-N	0	3	301.434	2.566	20	30		DFEDHN
C[NH+]=C(NCc1ccco1)NCc1c([O-])ccc2c1CCCC2	ZINC000266154976	426722863	/nfs/dbraw/zinc/72/28/63/426722863.db2.gz	UVCVSAMUAJKZLF-UHFFFAOYSA-N	0	3	313.401	2.729	20	30		DFEDHN
COc1cc(CNCC2(CO)CC3(CCC3)C2)ccc1C#N	ZINC000281604516	426729127	/nfs/dbraw/zinc/72/91/27/426729127.db2.gz	GDHQYHROAHAKQZ-UHFFFAOYSA-N	0	3	300.402	2.599	20	30		DFEDHN
COc1cc(CN[C@@H](C)COCC(F)(F)F)ccc1C#N	ZINC000281650600	426737356	/nfs/dbraw/zinc/73/73/56/426737356.db2.gz	JVNKFRKNITXABJ-JTQLQIEISA-N	0	3	302.296	2.624	20	30		DFEDHN
COc1cc(CNC[C@](C)(O)c2ccc(F)cc2)ccc1C#N	ZINC000281674319	426742759	/nfs/dbraw/zinc/74/27/59/426742759.db2.gz	LUOGCQYFMJGGKJ-SFHVURJKSA-N	0	3	314.360	2.703	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C#N	ZINC000245590839	426755980	/nfs/dbraw/zinc/75/59/80/426755980.db2.gz	KQWUXSKDTQIILJ-WMLDXEAASA-N	0	3	310.401	2.846	20	30		DFEDHN
C#CCCOc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1	ZINC000245691161	426762729	/nfs/dbraw/zinc/76/27/29/426762729.db2.gz	ATCDZXDDVKXYAJ-QZTJIDSGSA-N	0	3	317.454	2.795	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)C1=O	ZINC000282011625	426811603	/nfs/dbraw/zinc/81/16/03/426811603.db2.gz	ONQJGPRTLIRSLZ-QRTARXTBSA-N	0	3	302.393	2.790	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(F)c(Cl)cc2F)CC1	ZINC000179668588	426812952	/nfs/dbraw/zinc/81/29/52/426812952.db2.gz	HBQNMVCSZROIQU-UHFFFAOYSA-N	0	3	314.763	2.998	20	30		DFEDHN
N#Cc1cc(Cl)ccc1N1CCN(C2CCOCC2)CC1	ZINC000267029540	426814593	/nfs/dbraw/zinc/81/45/93/426814593.db2.gz	KJTOORKSWRBWTG-UHFFFAOYSA-N	0	3	305.809	2.513	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(OCC#N)c1	ZINC000267099562	426823330	/nfs/dbraw/zinc/82/33/30/426823330.db2.gz	SXBQYAMFRHWQQN-OAHLLOKOSA-N	0	3	316.405	2.537	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1nccnc1C#N	ZINC000267162035	426835258	/nfs/dbraw/zinc/83/52/58/426835258.db2.gz	ADQGKKUEQCKOTI-GDBMZVCRSA-N	0	3	307.401	2.671	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1	ZINC000290568877	426794727	/nfs/dbraw/zinc/79/47/27/426794727.db2.gz	RNHLNGMAJMEFQD-QGZVFWFLSA-N	0	3	319.380	2.718	20	30		DFEDHN
CC1(C)CN(CCC(=O)Nc2cccc(C#N)c2)CC(C)(C)O1	ZINC000189648768	426915062	/nfs/dbraw/zinc/91/50/62/426915062.db2.gz	HCYHPHVTYZTXRZ-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
N#Cc1ccc(CNCC2CCN(CC(F)(F)F)CC2)o1	ZINC000189465893	426861894	/nfs/dbraw/zinc/86/18/94/426861894.db2.gz	KLJQHCXKBOQPCM-UHFFFAOYSA-N	0	3	301.312	2.515	20	30		DFEDHN
COc1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N	ZINC000282276968	426870284	/nfs/dbraw/zinc/87/02/84/426870284.db2.gz	KUAKXAGNWNPELU-HOTGVXAUSA-N	0	3	302.418	2.796	20	30		DFEDHN
COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ccc(C#N)o2)C1	ZINC000180719608	426881363	/nfs/dbraw/zinc/88/13/63/426881363.db2.gz	JRDHAAAIVWWTBC-JKSUJKDBSA-N	0	3	324.380	2.930	20	30		DFEDHN
COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(C#N)o2)C1	ZINC000180719654	426882835	/nfs/dbraw/zinc/88/28/35/426882835.db2.gz	JRDHAAAIVWWTBC-CVEARBPZSA-N	0	3	324.380	2.930	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1	ZINC000189575040	426892774	/nfs/dbraw/zinc/89/27/74/426892774.db2.gz	QOOWLAGILSODKB-AZUAARDMSA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)NCC1(N(C)C)CCC1	ZINC000275686647	426895206	/nfs/dbraw/zinc/89/52/06/426895206.db2.gz	VINRFADWVHEOIU-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000275699601	426899537	/nfs/dbraw/zinc/89/95/37/426899537.db2.gz	QHWOVAREQFPGEA-FUHWJXTLSA-N	0	3	304.434	2.634	20	30		DFEDHN
C=CCC[C@H](C(=O)N1CCO[C@H](CN(C)C)C1)c1ccccc1	ZINC000189640615	426911541	/nfs/dbraw/zinc/91/15/41/426911541.db2.gz	JELYQWKWSKPJBZ-MSOLQXFVSA-N	0	3	316.445	2.525	20	30		DFEDHN
C=CCn1c(N2CC[C@@H](N3CCCCC3)C2)nnc1C(C)(C)C	ZINC000337806289	426978470	/nfs/dbraw/zinc/97/84/70/426978470.db2.gz	HXKDAJCUKGXJSS-OAHLLOKOSA-N	0	3	317.481	2.826	20	30		DFEDHN
Cn1cc(C(=O)NC[C@@H]2CCCN2C)c(C2CCCCC2)n1	ZINC000328717247	426991553	/nfs/dbraw/zinc/99/15/53/426991553.db2.gz	FGFIUCHZRXYDII-AWEZNQCLSA-N	0	3	304.438	2.867	20	30		DFEDHN
C=CCCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000276126350	426991675	/nfs/dbraw/zinc/99/16/75/426991675.db2.gz	KVZPRCQKLYCVQD-UHFFFAOYSA-N	0	3	315.461	2.865	20	30		DFEDHN
O=C(N[C@H]1CCN(C2CCCC2)C1)c1cn2c(n1)CCCC2	ZINC000328715157	426992187	/nfs/dbraw/zinc/99/21/87/426992187.db2.gz	OIEUEPWXSHKNES-ZDUSSCGKSA-N	0	3	302.422	2.541	20	30		DFEDHN
C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)CCN1Cc1ccccc1	ZINC000181321071	426938762	/nfs/dbraw/zinc/93/87/62/426938762.db2.gz	HNZLZRIIJDQHCC-HNNXBMFYSA-N	0	3	322.412	2.623	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268579995	427056357	/nfs/dbraw/zinc/05/63/57/427056357.db2.gz	QJOHSJZBUCLROI-WMZOPIPTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCOCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268593670	427062977	/nfs/dbraw/zinc/06/29/77/427062977.db2.gz	SQWWYOBGAIOZMM-GOSISDBHSA-N	0	3	316.445	2.702	20	30		DFEDHN
COCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)s1	ZINC000328891852	427010194	/nfs/dbraw/zinc/01/01/94/427010194.db2.gz	SXACXTJKGSMNOM-YHWZYXNKSA-N	0	3	323.462	2.918	20	30		DFEDHN
Cc1nc([C@@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n[nH]1	ZINC000268463760	427025607	/nfs/dbraw/zinc/02/56/07/427025607.db2.gz	LFJBMTOKDFGWFS-CQSZACIVSA-N	0	3	320.400	2.617	20	30		DFEDHN
Cc1n[nH]c([C@@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)n1	ZINC000268463760	427025612	/nfs/dbraw/zinc/02/56/12/427025612.db2.gz	LFJBMTOKDFGWFS-CQSZACIVSA-N	0	3	320.400	2.617	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN(Cc3cn4ccccc4c3C#N)C2)[nH]1	ZINC000268463760	427025618	/nfs/dbraw/zinc/02/56/18/427025618.db2.gz	LFJBMTOKDFGWFS-CQSZACIVSA-N	0	3	320.400	2.617	20	30		DFEDHN
Cc1nc([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)n[nH]1	ZINC000268498201	427034241	/nfs/dbraw/zinc/03/42/41/427034241.db2.gz	RQEDDYZMVPQGBS-HNNXBMFYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1n[nH]c([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)n1	ZINC000268498201	427034249	/nfs/dbraw/zinc/03/42/49/427034249.db2.gz	RQEDDYZMVPQGBS-HNNXBMFYSA-N	0	3	314.820	2.998	20	30		DFEDHN
Cc1nnc([C@H]2CCCN(CC#Cc3ccc(Cl)cc3)C2)[nH]1	ZINC000268498201	427034254	/nfs/dbraw/zinc/03/42/54/427034254.db2.gz	RQEDDYZMVPQGBS-HNNXBMFYSA-N	0	3	314.820	2.998	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000268523328	427041458	/nfs/dbraw/zinc/04/14/58/427041458.db2.gz	VJSVEYSFOVYHMA-UPJWGTAASA-N	0	3	317.393	2.640	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCO[C@H]2C)CC1	ZINC000329132479	427049125	/nfs/dbraw/zinc/04/91/25/427049125.db2.gz	YKJVNSSGAZSJDD-KEYYUXOJSA-N	0	3	317.433	2.989	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCO1	ZINC000182370878	427065104	/nfs/dbraw/zinc/06/51/04/427065104.db2.gz	QQOXBPHAPPSZKZ-KGLIPLIRSA-N	0	3	321.446	2.722	20	30		DFEDHN
CC1=C(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCC1	ZINC000329213300	427065359	/nfs/dbraw/zinc/06/53/59/427065359.db2.gz	JEVNAWDJBAJHEN-GOOCMWNKSA-N	0	3	319.449	2.527	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2ccc3nsnc3c2)CN1C1CC1	ZINC000329230143	427070362	/nfs/dbraw/zinc/07/03/62/427070362.db2.gz	JUGJCSYVBVYYLA-KOLCDFICSA-N	0	3	302.403	2.621	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CCCc3c(O)cccc32)CC1	ZINC000190313961	427074435	/nfs/dbraw/zinc/07/44/35/427074435.db2.gz	HANYTPGDDWJRHG-KRWDZBQOSA-N	0	3	314.429	2.579	20	30		DFEDHN
CC[C@H](O)CCNCc1ccc(OC)c(OCCCC#N)c1	ZINC000268639711	427076434	/nfs/dbraw/zinc/07/64/34/427076434.db2.gz	GYAMSTHTGQRUET-HNNXBMFYSA-N	0	3	306.406	2.628	20	30		DFEDHN
CN(C)c1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292091872	427085124	/nfs/dbraw/zinc/08/51/24/427085124.db2.gz	FOEIHEPFCKPFGJ-GOSISDBHSA-N	0	3	322.412	2.673	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1cc2nc[nH]c2cc1F	ZINC000329336022	427093064	/nfs/dbraw/zinc/09/30/64/427093064.db2.gz	XXSOEZOFBJHFQC-NSHDSACASA-N	0	3	304.369	2.881	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1cc2[nH]cnc2cc1F	ZINC000329336022	427093068	/nfs/dbraw/zinc/09/30/68/427093068.db2.gz	XXSOEZOFBJHFQC-NSHDSACASA-N	0	3	304.369	2.881	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1CC	ZINC000329373855	427101209	/nfs/dbraw/zinc/10/12/09/427101209.db2.gz	NGQYHTZRNBAGGA-JKSUJKDBSA-N	0	3	323.481	2.999	20	30		DFEDHN
N#Cc1ccc(O[C@@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C2)nc1	ZINC000292160978	427116633	/nfs/dbraw/zinc/11/66/33/427116633.db2.gz	KYIXVKPURGZDQC-KZNAEPCWSA-N	0	3	305.381	2.962	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1	ZINC000249498955	427119598	/nfs/dbraw/zinc/11/95/98/427119598.db2.gz	HDSBCTXDGVZGIS-RDJZCZTQSA-N	0	3	310.401	2.839	20	30		DFEDHN
CCc1noc2ncc(C(=O)N[C@H](C)C3=CCN(C)CC3)cc12	ZINC000329474156	427120978	/nfs/dbraw/zinc/12/09/78/427120978.db2.gz	ATESPHFKAVLPII-LLVKDONJSA-N	0	3	314.389	2.740	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)NC3CCCC3)C2)[nH]1	ZINC000329475780	427122697	/nfs/dbraw/zinc/12/26/97/427122697.db2.gz	PDRRKMUQUHPZME-DGCLKSJQSA-N	0	3	305.426	2.580	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)C1CCCCC1	ZINC000190487028	427124586	/nfs/dbraw/zinc/12/45/86/427124586.db2.gz	SRYOADKGGAUIJP-LJQANCHMSA-N	0	3	316.445	2.948	20	30		DFEDHN
C[C@H]1Oc2c(cccc2C(=O)NCC2=CCN(C)CC2)NC1=O	ZINC000329214443	427063835	/nfs/dbraw/zinc/06/38/35/427063835.db2.gz	LDRIYJWQGGUKQL-LLVKDONJSA-N	0	3	315.373	2.622	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC#N)cc1	ZINC000249757380	427143801	/nfs/dbraw/zinc/14/38/01/427143801.db2.gz	DSCLLSQDUOONSN-GJZGRUSLSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000329582635	427146281	/nfs/dbraw/zinc/14/62/81/427146281.db2.gz	QIOKPWLNHAILQA-BYNSBNAKSA-N	0	3	319.449	2.961	20	30		DFEDHN
N#Cc1cccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1	ZINC000277293951	427153851	/nfs/dbraw/zinc/15/38/51/427153851.db2.gz	ZUOLJZVGDSRMJH-GOSISDBHSA-N	0	3	322.412	2.656	20	30		DFEDHN
CC[C@@H]1CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000292315878	427171595	/nfs/dbraw/zinc/17/15/95/427171595.db2.gz	DYYJXHHBWPKLRI-LLVKDONJSA-N	0	3	303.431	2.921	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2	ZINC000296422829	427174695	/nfs/dbraw/zinc/17/46/95/427174695.db2.gz	LSZRERDGLFQOML-GOSISDBHSA-N	0	3	312.417	2.816	20	30		DFEDHN
Cc1ccoc1CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000292671752	427194989	/nfs/dbraw/zinc/19/49/89/427194989.db2.gz	ZMBRFWRVTAWDFE-MRXNPFEDSA-N	0	3	307.353	2.801	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)c2csc(C)n2)CC1	ZINC000330660998	427284531	/nfs/dbraw/zinc/28/45/31/427284531.db2.gz	YWLAKGYEIVAOOP-LLVKDONJSA-N	0	3	308.451	2.667	20	30		DFEDHN
C[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1	ZINC000338288939	427238110	/nfs/dbraw/zinc/23/81/10/427238110.db2.gz	SAJIAQBWLZBHKP-ZDUSSCGKSA-N	0	3	319.364	2.505	20	30		DFEDHN
C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(F)F	ZINC000293188737	427239932	/nfs/dbraw/zinc/23/99/32/427239932.db2.gz	SZPWPUVHQYWDPJ-ZDUSSCGKSA-N	0	3	323.387	2.740	20	30		DFEDHN
C[C@@H]1COCC[C@@H]1NCc1cc(C#N)ccc1Br	ZINC000277566721	427246073	/nfs/dbraw/zinc/24/60/73/427246073.db2.gz	USUTYYCHLCRBBF-YGRLFVJLSA-N	0	3	309.207	2.835	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)ccc1Cl	ZINC000285573915	427275233	/nfs/dbraw/zinc/27/52/33/427275233.db2.gz	HVHMGDSDSOSFPH-IAQYHMDHSA-N	0	3	305.809	2.624	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](C)[C@H]2CO)ccc1OC	ZINC000191175504	427277003	/nfs/dbraw/zinc/27/70/03/427277003.db2.gz	CNCLRVPRRRGGFV-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C1=CCN(C)CC1	ZINC000330784658	427302327	/nfs/dbraw/zinc/30/23/27/427302327.db2.gz	KICFVEZQEJXRNA-GFCCVEGCSA-N	0	3	317.437	2.750	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CCCC#N)[C@H]1c1cccs1	ZINC000330878853	427310819	/nfs/dbraw/zinc/31/08/19/427310819.db2.gz	AOMNLAFQENVIPR-CJNGLKHVSA-N	0	3	305.447	2.941	20	30		DFEDHN
CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000330892168	427314340	/nfs/dbraw/zinc/31/43/40/427314340.db2.gz	DAIQUVMRUKGDDC-WCQYABFASA-N	0	3	321.377	2.781	20	30		DFEDHN
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000330888976	427314664	/nfs/dbraw/zinc/31/46/64/427314664.db2.gz	AUYZEYMZFCDQEL-SWLSCSKDSA-N	0	3	303.406	2.822	20	30		DFEDHN
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C1CCCC1)CC2	ZINC000270167671	427320327	/nfs/dbraw/zinc/32/03/27/427320327.db2.gz	DGIYTELSYDJELC-KRWDZBQOSA-N	0	3	309.413	2.854	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285765714	427333227	/nfs/dbraw/zinc/33/32/27/427333227.db2.gz	MVDWSKZIMUTVCH-CJNGLKHVSA-N	0	3	317.820	2.768	20	30		DFEDHN
N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1CCCCN1C1CC1	ZINC000277840306	427335594	/nfs/dbraw/zinc/33/55/94/427335594.db2.gz	ITXOFGUBZPSMID-MZEUMTGBSA-N	0	3	309.413	2.705	20	30		DFEDHN
Cc1csc(C(=O)NCC2CCN(CCO)CC2)c1Cl	ZINC000331062824	427335909	/nfs/dbraw/zinc/33/59/09/427335909.db2.gz	VLMCNIHAIWDHKP-UHFFFAOYSA-N	0	3	316.854	2.719	20	30		DFEDHN
Cn1cc(CN2CC[C@H](COCc3ccccc3)C2)cc1C#N	ZINC000191405012	427341081	/nfs/dbraw/zinc/34/10/81/427341081.db2.gz	OJPOLNAWLSJVFW-KRWDZBQOSA-N	0	3	309.413	2.935	20	30		DFEDHN
COc1cc(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc(OC)c1	ZINC000331091418	427342691	/nfs/dbraw/zinc/34/26/91/427342691.db2.gz	WMIMOQNWVLWIOP-MLGOLLRUSA-N	0	3	321.421	2.521	20	30		DFEDHN
N#Cc1ccc(OCCN2CCCN(c3ccccn3)CC2)cc1	ZINC000183817089	427345962	/nfs/dbraw/zinc/34/59/62/427345962.db2.gz	OVWYBKLUHGOYRM-UHFFFAOYSA-N	0	3	322.412	2.544	20	30		DFEDHN
CC[C@H](C)n1ncc(NC(=O)NCCN2CCCCC2)c1C	ZINC000331103628	427346104	/nfs/dbraw/zinc/34/61/04/427346104.db2.gz	FEZLFRABJMIWQB-ZDUSSCGKSA-N	0	3	307.442	2.974	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NCCN1CCC(C)CC1	ZINC000331213617	427372003	/nfs/dbraw/zinc/37/20/03/427372003.db2.gz	MADKRMITRGZAAS-UHFFFAOYSA-N	0	3	305.422	2.825	20	30		DFEDHN
CC(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[O-]	ZINC000331247944	427381125	/nfs/dbraw/zinc/38/11/25/427381125.db2.gz	WFPQQPRBGWZFSC-UHFFFAOYSA-N	0	3	304.390	2.772	20	30		DFEDHN
COC[C@H](NC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccco1	ZINC000331340755	427399171	/nfs/dbraw/zinc/39/91/71/427399171.db2.gz	XIJHBBBIEDKLGH-ZFWWWQNUSA-N	0	3	323.437	2.591	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(CNC(C)=O)CC2)c1	ZINC000271147987	427415491	/nfs/dbraw/zinc/41/54/91/427415491.db2.gz	SDRGLOXRLLPRCO-UHFFFAOYSA-N	0	3	302.418	2.600	20	30		DFEDHN
C[C@@H]1CN(CCCNc2ccc(Cl)c(C#N)n2)CCCO1	ZINC000278150303	427417635	/nfs/dbraw/zinc/41/76/35/427417635.db2.gz	NWZXTUMENUTAHG-GFCCVEGCSA-N	0	3	308.813	2.519	20	30		DFEDHN
C[C@H]1CN(CCCNc2ccc(Cl)c(C#N)n2)CCCO1	ZINC000278150306	427417740	/nfs/dbraw/zinc/41/77/40/427417740.db2.gz	NWZXTUMENUTAHG-LBPRGKRZSA-N	0	3	308.813	2.519	20	30		DFEDHN
CN1CCC(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1	ZINC000183909019	427357062	/nfs/dbraw/zinc/35/70/62/427357062.db2.gz	UXCHZUDGLDYMAB-UHFFFAOYSA-N	0	3	305.466	2.943	20	30		DFEDHN
Cn1cc(CN[C@@H]2CCCN(c3ccccc3F)C2)cc1C#N	ZINC000191508430	427366282	/nfs/dbraw/zinc/36/62/82/427366282.db2.gz	VDESTXJYLQVWAE-OAHLLOKOSA-N	0	3	312.392	2.794	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC(C)(C)O1	ZINC000331195728	427367406	/nfs/dbraw/zinc/36/74/06/427367406.db2.gz	NKVZKZFEPWXAFC-GDBMZVCRSA-N	0	3	300.402	2.785	20	30		DFEDHN
CCN(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000271006690	427369280	/nfs/dbraw/zinc/36/92/80/427369280.db2.gz	NVWZDFYXNAFGFH-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
C=CCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000338539003	427369155	/nfs/dbraw/zinc/36/91/55/427369155.db2.gz	CEUMUOYNEFPCPX-UHFFFAOYSA-N	0	3	306.357	2.645	20	30		DFEDHN
C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN2CCC[C@H]2C1	ZINC000338784963	427487726	/nfs/dbraw/zinc/48/77/26/427487726.db2.gz	ANLKDTZJCHGMOC-HNNXBMFYSA-N	0	3	317.481	2.727	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)s1)C2	ZINC000271203785	427448872	/nfs/dbraw/zinc/44/88/72/427448872.db2.gz	GBYDNSJMVHFEKE-GFCCVEGCSA-N	0	3	300.383	2.722	20	30		DFEDHN
Cn1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1C#N	ZINC000293839781	427456787	/nfs/dbraw/zinc/45/67/87/427456787.db2.gz	HAHVWUUOTWTQMC-SFHVURJKSA-N	0	3	309.413	2.890	20	30		DFEDHN
CCOC[C@H](N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C	ZINC000286283163	427478008	/nfs/dbraw/zinc/47/80/08/427478008.db2.gz	URIKMLHQDRGDSD-DOMZBBRYSA-N	0	3	321.421	2.746	20	30		DFEDHN
CCOC[C@H](N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(C)C	ZINC000286283177	427479076	/nfs/dbraw/zinc/47/90/76/427479076.db2.gz	URIKMLHQDRGDSD-WFASDCNBSA-N	0	3	321.421	2.746	20	30		DFEDHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000286132400	427431437	/nfs/dbraw/zinc/43/14/37/427431437.db2.gz	OBUBIJDPLAPWAM-KBPBESRZSA-N	0	3	317.820	2.910	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1	ZINC000338673734	427433740	/nfs/dbraw/zinc/43/37/40/427433740.db2.gz	DBWKQLFAPWAXNK-KRWDZBQOSA-N	0	3	314.429	2.952	20	30		DFEDHN
C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000293788270	427435686	/nfs/dbraw/zinc/43/56/86/427435686.db2.gz	WPLVMUNEKLOMKH-FDMDGMSGSA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCN(C2CCOCC2)C[C@H]1C	ZINC000278621590	427447060	/nfs/dbraw/zinc/44/70/60/427447060.db2.gz	JYASEGQIEPSSNU-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(OC)c(C#N)c1)C2	ZINC000271320375	427492509	/nfs/dbraw/zinc/49/25/09/427492509.db2.gz	SZVKKRZLBDUKSL-MRXNPFEDSA-N	0	3	324.380	2.669	20	30		DFEDHN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cn2ccccc2c1C#N	ZINC000286325331	427493842	/nfs/dbraw/zinc/49/38/42/427493842.db2.gz	DMIDKUCDZHDJKU-XFJQVIQYSA-N	0	3	307.397	2.666	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c(C#N)c1	ZINC000184586789	427495753	/nfs/dbraw/zinc/49/57/53/427495753.db2.gz	ZXSVIYOEJHNQEJ-GOSISDBHSA-N	0	3	324.428	2.773	20	30		DFEDHN
Cc1ccc(C#N)c(NCc2ccc(OCCN(C)C)cc2)n1	ZINC000286385894	427511363	/nfs/dbraw/zinc/51/13/63/427511363.db2.gz	NAXIWEXEICXBIP-UHFFFAOYSA-N	0	3	310.401	2.814	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000338845583	427517649	/nfs/dbraw/zinc/51/76/49/427517649.db2.gz	ISKYZYWBXTWXMU-HNNXBMFYSA-N	0	3	305.470	2.754	20	30		DFEDHN
COc1cc(CN2CCC[C@](CO)(C(C)C)C2)ccc1C#N	ZINC000294026792	427526864	/nfs/dbraw/zinc/52/68/64/427526864.db2.gz	NWRJLHDLRZKIQN-SFHVURJKSA-N	0	3	302.418	2.797	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1cc(C#N)ccc1[N+](=O)[O-]	ZINC000286440499	427528520	/nfs/dbraw/zinc/52/85/20/427528520.db2.gz	SOFHYCYAHRAQGL-JSGCOSHPSA-N	0	3	300.362	2.529	20	30		DFEDHN
C#CCN(C)CCCNC(=O)CCCc1c[nH]c2ccccc12	ZINC000294072958	427540403	/nfs/dbraw/zinc/54/04/03/427540403.db2.gz	VYGGZNNALBRSPV-UHFFFAOYSA-N	0	3	311.429	2.562	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N1CCC[C@H](C)C1	ZINC000278890075	427490229	/nfs/dbraw/zinc/49/02/29/427490229.db2.gz	OQQCUYNKVOZYDV-QWHCGFSZSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@@H](N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1	ZINC000192813799	427615876	/nfs/dbraw/zinc/61/58/76/427615876.db2.gz	LNFQVTHSOAVIJC-RHSMWYFYSA-N	0	3	307.401	2.668	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@@H](O)COCc1cccs1	ZINC000298320316	427569542	/nfs/dbraw/zinc/56/95/42/427569542.db2.gz	LGWZFLBQBALXFJ-MRXNPFEDSA-N	0	3	316.426	2.629	20	30		DFEDHN
C=CCN(CCCC(=O)NCCC)Cc1ccc(OC)cc1	ZINC000298322053	427572536	/nfs/dbraw/zinc/57/25/36/427572536.db2.gz	ZHWCVQUKTWRQGV-UHFFFAOYSA-N	0	3	304.434	2.990	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(n3cc(Br)cn3)CC2)C1	ZINC000338991701	427610474	/nfs/dbraw/zinc/61/04/74/427610474.db2.gz	COKCRBSJFCVSGN-RISCZKNCSA-N	0	3	323.238	2.975	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(C#N)cc1	ZINC000272146166	427650269	/nfs/dbraw/zinc/65/02/69/427650269.db2.gz	LAMDMHIJGVRXQL-CYBMUJFWSA-N	0	3	300.406	2.752	20	30		DFEDHN
CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C	ZINC000343590798	272178293	/nfs/dbraw/zinc/17/82/93/272178293.db2.gz	MLYFSBLGVPSGMP-OAHLLOKOSA-N	0	3	308.447	2.746	20	30		DFEDHN
N#Cc1csc(CNC[C@H](CO)Cc2ccc(F)cc2)c1	ZINC000343659831	272195968	/nfs/dbraw/zinc/19/59/68/272195968.db2.gz	BQMKDENDTZEVON-CQSZACIVSA-N	0	3	304.390	2.700	20	30		DFEDHN
C=CCN(CCc1ccco1)C[C@@H](O)COc1ccccc1	ZINC000272230453	427678049	/nfs/dbraw/zinc/67/80/49/427678049.db2.gz	DRHAGYQOIPKLGD-MRXNPFEDSA-N	0	3	301.386	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1	ZINC000333994208	427722682	/nfs/dbraw/zinc/72/26/82/427722682.db2.gz	LUIOVYYRJODWRI-JKSUJKDBSA-N	0	3	323.481	2.530	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@@H]1c1ccccc1)[C@H]1CC[C@H](C#N)C1	ZINC000339190774	427723430	/nfs/dbraw/zinc/72/34/30/427723430.db2.gz	PZBNXHHOBUZTMH-DSLXNQLJSA-N	0	3	313.445	2.682	20	30		DFEDHN
C#CC[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000272322378	427707227	/nfs/dbraw/zinc/70/72/27/427707227.db2.gz	ZELDCLAVSTVIJY-IKGGRYGDSA-N	0	3	305.443	2.696	20	30		DFEDHN
C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000295147752	427710647	/nfs/dbraw/zinc/71/06/47/427710647.db2.gz	CUYBMVMKRNOSON-QMTHXVAHSA-N	0	3	321.808	2.696	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000193765526	427712224	/nfs/dbraw/zinc/71/22/24/427712224.db2.gz	GHZABGHDJCEBSS-SFHVURJKSA-N	0	3	319.408	2.810	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1	ZINC000287984593	427723998	/nfs/dbraw/zinc/72/39/98/427723998.db2.gz	ARRZDGQKCRDWRE-KDOFPFPSSA-N	0	3	321.428	2.979	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)Cc1cc(Br)ccc1F	ZINC000339315254	427755087	/nfs/dbraw/zinc/75/50/87/427755087.db2.gz	MEUNKXMDEYLGOE-DTWKUNHWSA-N	0	3	313.170	2.795	20	30		DFEDHN
Cc1cccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000336868134	427768099	/nfs/dbraw/zinc/76/80/99/427768099.db2.gz	RFVKWFONSSVNAN-UHFFFAOYSA-N	0	3	308.385	2.722	20	30		DFEDHN
N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2c2ccccc2)cc1	ZINC000336878099	427771018	/nfs/dbraw/zinc/77/10/18/427771018.db2.gz	BHGNCJPAMAXYEW-AZUAARDMSA-N	0	3	322.408	2.939	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccnc2)cc1	ZINC000336881017	427771131	/nfs/dbraw/zinc/77/11/31/427771131.db2.gz	RTZPVHRPJAMQIG-IEBWSBKVSA-N	0	3	323.396	2.530	20	30		DFEDHN
C=CCN(CC=C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000194416645	427741650	/nfs/dbraw/zinc/74/16/50/427741650.db2.gz	UZRKUVDUBHOGEW-SFHVURJKSA-N	0	3	313.445	2.892	20	30		DFEDHN
CCN(C[C@@H](O)COCC(C)C)[C@H](C)c1ccc(C#N)cc1	ZINC000299075534	427746957	/nfs/dbraw/zinc/74/69/57/427746957.db2.gz	DHQSUZSISQQYDS-CRAIPNDOSA-N	0	3	304.434	2.975	20	30		DFEDHN
CCc1nnc(NCCN2CCCC[C@H]2C)c(C#N)c1CC	ZINC000301619543	427810024	/nfs/dbraw/zinc/81/00/24/427810024.db2.gz	LWNHNYMKKFDKGI-CYBMUJFWSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc(N(C)C)c2)C1=O	ZINC000337191024	427812056	/nfs/dbraw/zinc/81/20/56/427812056.db2.gz	SCRGABSUXCNMBD-ZWKOTPCHSA-N	0	3	313.445	2.676	20	30		DFEDHN
N#Cc1ccnc(N[C@H]2CCN(CC3CCCC3)C2)c1[N+](=O)[O-]	ZINC000301648905	427812357	/nfs/dbraw/zinc/81/23/57/427812357.db2.gz	IVNFXFQENSSGEF-AWEZNQCLSA-N	0	3	315.377	2.538	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000339742126	427821248	/nfs/dbraw/zinc/82/12/48/427821248.db2.gz	ICHALYLHUZVTRC-HOTGVXAUSA-N	0	3	322.493	2.937	20	30		DFEDHN
CCN1CCC[C@@H]1CN(Cc1ccncc1)c1cccc(C#N)n1	ZINC000301843239	427828661	/nfs/dbraw/zinc/82/86/61/427828661.db2.gz	KOVYCTHTXHWTBE-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C[C@H]2CCC[C@H](OC)C2)CC1	ZINC000355670790	427842437	/nfs/dbraw/zinc/84/24/37/427842437.db2.gz	GJIXUVBYMZHZGG-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CC[C@@H](CO)N[C@H](COC)c1cccc(C(F)(F)F)c1	ZINC000349759770	427858747	/nfs/dbraw/zinc/85/87/47/427858747.db2.gz	RMGRXIKYVOITQW-UONOGXRCSA-N	0	3	303.324	2.920	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@H](OC)C1(CC)CC	ZINC000359430509	427848487	/nfs/dbraw/zinc/84/84/87/427848487.db2.gz	JKNGGTNWFUCVBE-JYJNAYRXSA-N	0	3	308.466	2.759	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nn1	ZINC000302214161	427852319	/nfs/dbraw/zinc/85/23/19/427852319.db2.gz	GGPJFKFBXJIYSA-QGZVFWFLSA-N	0	3	309.417	2.917	20	30		DFEDHN
CN(C)Cc1ccc(-c2noc(-c3ccnc(C#N)c3)n2)cc1	ZINC000345692003	427862149	/nfs/dbraw/zinc/86/21/49/427862149.db2.gz	FTKAFEJYSYDTAD-UHFFFAOYSA-N	0	3	305.341	2.732	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCN1C	ZINC000339933878	427875924	/nfs/dbraw/zinc/87/59/24/427875924.db2.gz	HVUPKCSGXAFHHG-QGZVFWFLSA-N	0	3	301.434	2.521	20	30		DFEDHN
C=CCCN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000350626476	427959151	/nfs/dbraw/zinc/95/91/51/427959151.db2.gz	QIUUUAROPRYYHZ-KRWDZBQOSA-N	0	3	301.434	2.726	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000340245048	427965613	/nfs/dbraw/zinc/96/56/13/427965613.db2.gz	ASQHGKCCCLGIPU-LLVKDONJSA-N	0	3	306.797	2.770	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000350725609	427967209	/nfs/dbraw/zinc/96/72/09/427967209.db2.gz	ZFFWZZVVNWEAAQ-QFWMXSHPSA-N	0	3	319.371	2.665	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@@H](C)[C@@](C)(C(=O)OC)C1	ZINC000337527984	427945142	/nfs/dbraw/zinc/94/51/42/427945142.db2.gz	HLHSBFDAERAXBI-KDOFPFPSSA-N	0	3	303.402	2.882	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3cccs3)CC2)o1	ZINC000369671787	428032194	/nfs/dbraw/zinc/03/21/94/428032194.db2.gz	JCLWRSSSNRIUPK-UHFFFAOYSA-N	0	3	301.415	2.967	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@H]1Oc1ccccc1	ZINC000369704315	428038333	/nfs/dbraw/zinc/03/83/33/428038333.db2.gz	PRGFSOZHMNVAPZ-GVDBMIGSSA-N	0	3	300.402	2.895	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1	ZINC000346062596	428006527	/nfs/dbraw/zinc/00/65/27/428006527.db2.gz	FUBHRVUBBIFGGR-WMLDXEAASA-N	0	3	319.424	2.705	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](c3ccccc3)[C@H]2C)CC1	ZINC000369831307	428072037	/nfs/dbraw/zinc/07/20/37/428072037.db2.gz	QPRYWOCPNRDHBE-ATZDWAIDSA-N	0	3	310.441	2.640	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359917101	428075406	/nfs/dbraw/zinc/07/54/06/428075406.db2.gz	LICHXHKAVONTAP-JTQLQIEISA-N	0	3	318.239	2.514	20	30		DFEDHN
Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1C	ZINC000359918422	428077127	/nfs/dbraw/zinc/07/71/27/428077127.db2.gz	QXXUGRRZLSFKSZ-AWEZNQCLSA-N	0	3	310.313	2.853	20	30		DFEDHN
COc1ccccc1N1CCC[C@@H](NCc2cc(C#N)n(C)c2)C1	ZINC000377269853	428096788	/nfs/dbraw/zinc/09/67/88/428096788.db2.gz	ZXKXLJSECSBKHO-MRXNPFEDSA-N	0	3	324.428	2.664	20	30		DFEDHN
CN(CCN(C)C1CC1)Cc1ccc(C#N)cc1OC(F)F	ZINC000351961600	428119150	/nfs/dbraw/zinc/11/91/50/428119150.db2.gz	FKMHUGCYEOKPKW-UHFFFAOYSA-N	0	3	309.360	2.686	20	30		DFEDHN
C=CCOCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C	ZINC000359891359	428063510	/nfs/dbraw/zinc/06/35/10/428063510.db2.gz	BKHFCHKXGQOGIX-GOSISDBHSA-N	0	3	318.461	2.807	20	30		DFEDHN
C[C@@H](NCCCCCS(C)(=O)=O)c1ccc(C#N)cc1F	ZINC000360038952	428131170	/nfs/dbraw/zinc/13/11/70/428131170.db2.gz	PCZZGDIIJANZAP-GFCCVEGCSA-N	0	3	312.410	2.563	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)CN1C1CC1	ZINC000356352192	428138493	/nfs/dbraw/zinc/13/84/93/428138493.db2.gz	LIMQOBOCEBTPCV-HYVNUMGLSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)C(C)C	ZINC000360083778	428150709	/nfs/dbraw/zinc/15/07/09/428150709.db2.gz	QWQUGSSEWKQFJP-GVDBMIGSSA-N	0	3	318.465	2.676	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1	ZINC000360084167	428152848	/nfs/dbraw/zinc/15/28/48/428152848.db2.gz	JCORGNRYUQXKDQ-HNNXBMFYSA-N	0	3	302.418	2.665	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1=CCN(C)CC1	ZINC000413837885	428149136	/nfs/dbraw/zinc/14/91/36/428149136.db2.gz	RSXANOMKGPGUDH-SFHVURJKSA-N	0	3	313.445	2.735	20	30		DFEDHN
CS[C@@H](CO)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352829435	428267787	/nfs/dbraw/zinc/26/77/87/428267787.db2.gz	BEICTJWMXWCFFE-ZANVPECISA-N	0	3	318.364	2.779	20	30		DFEDHN
CC(C#N)C(=O)NCCc1c[nH]c2cccc(Br)c12	ZINC000356675032	428269625	/nfs/dbraw/zinc/26/96/25/428269625.db2.gz	DDFUBXBXKOYHTF-SECBINFHSA-N	0	3	320.190	2.749	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000341891615	428243899	/nfs/dbraw/zinc/24/38/99/428243899.db2.gz	VKAWMDOVKMHVAT-CHWSQXEVSA-N	0	3	308.378	2.829	20	30		DFEDHN
C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1	ZINC000341891618	428244248	/nfs/dbraw/zinc/24/42/48/428244248.db2.gz	VKAWMDOVKMHVAT-QWHCGFSZSA-N	0	3	308.378	2.829	20	30		DFEDHN
CC(C)(C#N)CC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000370601694	428248511	/nfs/dbraw/zinc/24/85/11/428248511.db2.gz	KQVSKVKQCJKYIG-IAGOWNOFSA-N	0	3	311.429	2.659	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(-c2ccc(C#N)[nH]2)n1	ZINC000356601302	428250424	/nfs/dbraw/zinc/25/04/24/428250424.db2.gz	XYKINYLOZSFXGH-UHFFFAOYSA-N	0	3	323.356	2.544	20	30		DFEDHN
CC(C)(NCC(=O)NCc1cccc(C#N)c1)c1ccccc1	ZINC000356616086	428256035	/nfs/dbraw/zinc/25/60/35/428256035.db2.gz	FJXPMDFCLUPKIS-UHFFFAOYSA-N	0	3	307.397	2.699	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000377904879	428258818	/nfs/dbraw/zinc/25/88/18/428258818.db2.gz	HLKUMDDAOKNKJE-KRWDZBQOSA-N	0	3	321.371	2.526	20	30		DFEDHN
CC(C)(CO)CCCNC(=O)C(C#N)CCc1ccccc1	ZINC000346847511	428345925	/nfs/dbraw/zinc/34/59/25/428345925.db2.gz	MULYDIMVSKHRGT-MRXNPFEDSA-N	0	3	302.418	2.674	20	30		DFEDHN
C[C@@H](C(=O)NCCN1CCCC(C)(C)C1)c1cccc(C#N)c1	ZINC000360442422	428299559	/nfs/dbraw/zinc/29/95/59/428299559.db2.gz	CPKIJUVZLWHEHL-OAHLLOKOSA-N	0	3	313.445	2.900	20	30		DFEDHN
C=CCN(C(=O)c1cc(C)n[nH]1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371584809	428396817	/nfs/dbraw/zinc/39/68/17/428396817.db2.gz	CPUQBTSUFUURBA-QGZVFWFLSA-N	0	3	324.428	2.621	20	30		DFEDHN
C=CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000371584809	428396821	/nfs/dbraw/zinc/39/68/21/428396821.db2.gz	CPUQBTSUFUURBA-QGZVFWFLSA-N	0	3	324.428	2.621	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1	ZINC000371946140	428408919	/nfs/dbraw/zinc/40/89/19/428408919.db2.gz	FOHZDSKYABLCCA-XHSDSOJGSA-N	0	3	309.454	2.510	20	30		DFEDHN
COc1ccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)cc1	ZINC000347019711	428409894	/nfs/dbraw/zinc/40/98/94/428409894.db2.gz	XKLFXWKQMDLODW-QGZVFWFLSA-N	0	3	315.417	2.544	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@]2(CNC(=O)C2)C1	ZINC000342344269	428411689	/nfs/dbraw/zinc/41/16/89/428411689.db2.gz	HOECJPJSUOKXGG-LJQANCHMSA-N	0	3	311.429	2.590	20	30		DFEDHN
C[C@H](C(=O)N1C[C@H](N2CCCC2)C[C@H]1C)c1cccc(C#N)c1	ZINC000360597811	428364398	/nfs/dbraw/zinc/36/43/98/428364398.db2.gz	QGOUKQXTGISCJL-RVKKMQEKSA-N	0	3	311.429	2.747	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C(F)(F)F)CC1	ZINC000356981939	428368277	/nfs/dbraw/zinc/36/82/77/428368277.db2.gz	JZGJTIQYCABYTM-LLVKDONJSA-N	0	3	307.360	2.525	20	30		DFEDHN
C=CCCCN(C)CC(=O)N(C)Cc1ccc(OCC)cc1	ZINC000346955543	428384752	/nfs/dbraw/zinc/38/47/52/428384752.db2.gz	CSBQRQIISOVKRC-UHFFFAOYSA-N	0	3	304.434	2.942	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000357208877	428435199	/nfs/dbraw/zinc/43/51/99/428435199.db2.gz	QNLSWILFMWDYDZ-WMLDXEAASA-N	0	3	301.434	2.771	20	30		DFEDHN
COc1cc(CNCc2ccc(NC(C)=O)cc2)ccc1C#N	ZINC000353222501	428436999	/nfs/dbraw/zinc/43/69/99/428436999.db2.gz	HFJAWBMFDLXIAO-UHFFFAOYSA-N	0	3	309.369	2.815	20	30		DFEDHN
Cc1nc(C[C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)no1	ZINC000342721343	428440290	/nfs/dbraw/zinc/44/02/90/428440290.db2.gz	HTBXBAGYYAXVEA-KRWDZBQOSA-N	0	3	310.401	2.899	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cccc(-n3cccn3)c2)nc(C)n1	ZINC000342752782	428447073	/nfs/dbraw/zinc/44/70/73/428447073.db2.gz	PQBMYXJXYFXKRN-INIZCTEOSA-N	0	3	317.352	2.769	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC)CCN1CCCCC1	ZINC000342797296	428458974	/nfs/dbraw/zinc/45/89/74/428458974.db2.gz	QRERKAYYCUYVTO-IRXDYDNUSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1	ZINC000347037153	428417639	/nfs/dbraw/zinc/41/76/39/428417639.db2.gz	NMSFSHJOAYKDCQ-GWCFXTLKSA-N	0	3	323.190	2.509	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCOC2(CCOCC2)CC1	ZINC000372197489	428422726	/nfs/dbraw/zinc/42/27/26/428422726.db2.gz	PIVHMCVOUVPJDR-OAHLLOKOSA-N	0	3	300.402	2.891	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN1[C@H](C)CC[C@@H]1C	ZINC000342397760	428425730	/nfs/dbraw/zinc/42/57/30/428425730.db2.gz	QIRUTOBLVHEDBH-GASCZTMLSA-N	0	3	320.433	2.549	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H]2CCCN2Cc2ccccc2)n1	ZINC000342419888	428427907	/nfs/dbraw/zinc/42/79/07/428427907.db2.gz	WMQBXEGEPXLCDS-SFHVURJKSA-N	0	3	306.413	3.338	20	30		DFEDHN
COc1ncc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1Cl	ZINC000342462304	428429872	/nfs/dbraw/zinc/42/98/72/428429872.db2.gz	NNTIIALLIUHXCC-LLVKDONJSA-N	0	3	316.748	2.641	20	30		DFEDHN
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C(C)C#N)cc1	ZINC000347070464	428431895	/nfs/dbraw/zinc/43/18/95/428431895.db2.gz	NUVBNFPNTOMPFO-STQMWFEESA-N	0	3	316.405	2.897	20	30		DFEDHN
COc1cc(CN(C(=O)C(C)C#N)C2CC2)ccc1OC(F)F	ZINC000347061300	428432706	/nfs/dbraw/zinc/43/27/06/428432706.db2.gz	FDINHYHRUBRBQD-JTQLQIEISA-N	0	3	324.327	2.947	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000391055541	428479446	/nfs/dbraw/zinc/47/94/46/428479446.db2.gz	JCFBCJAUPRYZDZ-IPMKNSEASA-N	0	3	313.445	2.559	20	30		DFEDHN
N#Cc1ccc2c(c1)[C@@H](NC[C@H]1COc3ccccc3O1)CC2	ZINC000353349689	428497158	/nfs/dbraw/zinc/49/71/58/428497158.db2.gz	LLRQFBGWGIKVAR-RDJZCZTQSA-N	0	3	306.365	2.975	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000353364976	428502519	/nfs/dbraw/zinc/50/25/19/428502519.db2.gz	POIPWWMLZJVOCT-CQSZACIVSA-N	0	3	317.776	2.837	20	30		DFEDHN
CN1CC[C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)C[C@@H]21	ZINC000372984197	428510165	/nfs/dbraw/zinc/51/01/65/428510165.db2.gz	UUXSMVLQJNSJQH-KURKYZTESA-N	0	3	311.429	2.627	20	30		DFEDHN
Cc1cc(C#N)nc(NCCN2CCC3(CCCCC3)CC2)n1	ZINC000343070891	428514519	/nfs/dbraw/zinc/51/45/19/428514519.db2.gz	QSYXEEVBBSSNKL-UHFFFAOYSA-N	0	3	313.449	3.115	20	30		DFEDHN
C=CCN(C(=O)CCCOC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372603407	428474075	/nfs/dbraw/zinc/47/40/75/428474075.db2.gz	YZQJNVMDFSZRNA-SFHVURJKSA-N	0	3	316.445	2.702	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)NCC(C)(C)CCC#N	ZINC000353536432	428582565	/nfs/dbraw/zinc/58/25/65/428582565.db2.gz	MWMTWYQTBAXEMQ-HNNXBMFYSA-N	0	3	308.470	2.880	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OC	ZINC000347302240	428535995	/nfs/dbraw/zinc/53/59/95/428535995.db2.gz	MECKUGQWHILKCL-DZGCQCFKSA-N	0	3	319.401	2.643	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1OC	ZINC000361156284	428540320	/nfs/dbraw/zinc/54/03/20/428540320.db2.gz	XEAPDLWLHUXRLP-CABCVRRESA-N	0	3	304.434	2.784	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C#N)o1)C1CC1	ZINC000347309623	428540407	/nfs/dbraw/zinc/54/04/07/428540407.db2.gz	XQROETJBDKYURJ-KRWDZBQOSA-N	0	3	323.396	2.792	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1OC	ZINC000361156287	428541426	/nfs/dbraw/zinc/54/14/26/428541426.db2.gz	XEAPDLWLHUXRLP-LSDHHAIUSA-N	0	3	304.434	2.784	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCOCC1)C(C)C	ZINC000373313433	428544600	/nfs/dbraw/zinc/54/46/00/428544600.db2.gz	LMBNWNADHBZCQV-SJORKVTESA-N	0	3	308.466	2.618	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000361221568	428550293	/nfs/dbraw/zinc/55/02/93/428550293.db2.gz	ULSVSZHCLWZYNN-CQSZACIVSA-N	0	3	305.447	2.598	20	30		DFEDHN
C=C(C)CN(CCN1CCCOCC1)Cc1cnn(C(C)C)c1	ZINC000361378112	428561846	/nfs/dbraw/zinc/56/18/46/428561846.db2.gz	QJALXMWRXHNCNM-UHFFFAOYSA-N	0	3	320.481	2.564	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(Cc2cccc3ccccc32)CC1	ZINC000357798464	428565129	/nfs/dbraw/zinc/56/51/29/428565129.db2.gz	LMLHOIZQESUUKQ-OAHLLOKOSA-N	0	3	307.397	2.644	20	30		DFEDHN
CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21	ZINC000373391258	428565237	/nfs/dbraw/zinc/56/52/37/428565237.db2.gz	FZBUWRFYUUYEPZ-PMPSAXMXSA-N	0	3	309.454	2.510	20	30		DFEDHN
CC(C#N)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000357798585	428565907	/nfs/dbraw/zinc/56/59/07/428565907.db2.gz	LZEGELIIHSCMQV-CYBMUJFWSA-N	0	3	314.385	2.545	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(C#N)ccc1OC	ZINC000343677257	428566249	/nfs/dbraw/zinc/56/62/49/428566249.db2.gz	TXKIFZMZZFUFCA-CRAIPNDOSA-N	0	3	316.401	2.778	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C#N)ccc1OC	ZINC000343677259	428566619	/nfs/dbraw/zinc/56/66/19/428566619.db2.gz	TXKIFZMZZFUFCA-QAPCUYQASA-N	0	3	316.401	2.778	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN(C(C)C)[C@@H]1CCOC1	ZINC000361417328	428567969	/nfs/dbraw/zinc/56/79/69/428567969.db2.gz	WUEULMOTMXJHLV-MSOLQXFVSA-N	0	3	319.445	2.654	20	30		DFEDHN
N#Cc1ncn(C2CCN(CCCc3cccc(F)c3)CC2)n1	ZINC000373411755	428568242	/nfs/dbraw/zinc/56/82/42/428568242.db2.gz	IXXKEMWNFANVOT-UHFFFAOYSA-N	0	3	313.380	2.559	20	30		DFEDHN
C#CCCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000373427915	428574401	/nfs/dbraw/zinc/57/44/01/428574401.db2.gz	RYHAPSCSOPNFRN-UHFFFAOYSA-N	0	3	316.367	2.711	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccnc(C)n1)C(C)C	ZINC000362036733	428611956	/nfs/dbraw/zinc/61/19/56/428611956.db2.gz	LTYWZBXAWHAPHL-HNNXBMFYSA-N	0	3	317.437	2.605	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)c1	ZINC000415802267	428614174	/nfs/dbraw/zinc/61/41/74/428614174.db2.gz	GDGUEBWBVSIAJG-ZWKOTPCHSA-N	0	3	320.396	2.711	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC(C)C)c2)nc(C)n1	ZINC000347803288	428624720	/nfs/dbraw/zinc/62/47/20/428624720.db2.gz	JOUMMUYQIINLPU-AWEZNQCLSA-N	0	3	310.357	2.766	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H]2C=C[C@@H](CO)C2)ccc1OC	ZINC000347779655	428625608	/nfs/dbraw/zinc/62/56/08/428625608.db2.gz	PUXSLUNKTAVLEF-HZPDHXFCSA-N	0	3	303.402	2.677	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1CNC	ZINC000415920967	428627157	/nfs/dbraw/zinc/62/71/57/428627157.db2.gz	LADGMUBUIOGUOO-ZBFHGGJFSA-N	0	3	303.406	2.509	20	30		DFEDHN
COCCN1[C@@H](C)CN(c2cc(C#N)nc3ccccc32)C[C@@H]1C	ZINC000131925425	274033312	/nfs/dbraw/zinc/03/33/12/274033312.db2.gz	AOHJYOYTUZEWCX-GJZGRUSLSA-N	0	3	324.428	2.652	20	30		DFEDHN
CN(CCC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348133981	428639542	/nfs/dbraw/zinc/63/95/42/428639542.db2.gz	ZFLZVSAFHPKSAW-ZDUSSCGKSA-N	0	3	309.291	2.651	20	30		DFEDHN
CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000191716514	274076386	/nfs/dbraw/zinc/07/63/86/274076386.db2.gz	IDRLHBBBRFSBDY-GARJFASQSA-N	0	3	309.797	2.552	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H](C)[C@@H]2CCCOC2)c(C#N)c1C	ZINC000348144943	428641940	/nfs/dbraw/zinc/64/19/40/428641940.db2.gz	RGUYUBSDTJPWNB-WCQYABFASA-N	0	3	321.446	2.580	20	30		DFEDHN
Cc1ncsc1CN1C[C@@H](F)C[C@@H]1CN(C)CCCC#N	ZINC000348183202	428643326	/nfs/dbraw/zinc/64/33/26/428643326.db2.gz	SUIFMJMXNZKDTD-UONOGXRCSA-N	0	3	310.442	2.600	20	30		DFEDHN
N#CCCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415948613	428635646	/nfs/dbraw/zinc/63/56/46/428635646.db2.gz	DIPZDYRMTGIESW-UHFFFAOYSA-N	0	3	300.284	2.589	20	30		DFEDHN
N#CC1(CCCN2CCC[C@H](c3ccncn3)C2)CCOCC1	ZINC000374102058	428664424	/nfs/dbraw/zinc/66/44/24/428664424.db2.gz	OEQMKYRHQMMULS-INIZCTEOSA-N	0	3	314.433	2.757	20	30		DFEDHN
N#CCCn1cc(CN2CC[C@@H](CCO)C2)c(-c2ccccc2)n1	ZINC000353710902	428671603	/nfs/dbraw/zinc/67/16/03/428671603.db2.gz	UJVQIYVWGYPEJH-INIZCTEOSA-N	0	3	324.428	2.668	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N(CC2CC2)CC2CC2)cc1	ZINC000348237649	428672060	/nfs/dbraw/zinc/67/20/60/428672060.db2.gz	ZRQIWIIBJKXDOV-SFHVURJKSA-N	0	3	307.397	2.889	20	30		DFEDHN
CO[C@@H]1C[C@H](CO)N(Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000344732004	428699995	/nfs/dbraw/zinc/69/99/95/428699995.db2.gz	VWUBUHDQUKGSMP-RTBURBONSA-N	0	3	322.408	2.807	20	30		DFEDHN
C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccncc1	ZINC000358863016	428710454	/nfs/dbraw/zinc/71/04/54/428710454.db2.gz	QIFONLBXYBNSNI-GFCCVEGCSA-N	0	3	303.435	2.568	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@H](CCN(C)CCOC)c1ccccc1	ZINC000362381323	428725572	/nfs/dbraw/zinc/72/55/72/428725572.db2.gz	XDGJFOHEFAMEQS-DOTOQJQBSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1	ZINC000348288052	428695471	/nfs/dbraw/zinc/69/54/71/428695471.db2.gz	BILHPSGMTZVNTG-INIZCTEOSA-N	0	3	324.428	3.003	20	30		DFEDHN
CCN1CC[C@H](NC(=O)C(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000358967096	428752758	/nfs/dbraw/zinc/75/27/58/428752758.db2.gz	OYPLHXFSEPEZFG-LKTVYLICSA-N	0	3	323.799	2.890	20	30		DFEDHN
CO[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000353865187	428754796	/nfs/dbraw/zinc/75/47/96/428754796.db2.gz	KFRKDGCMWXOROL-QGZVFWFLSA-N	0	3	310.401	2.684	20	30		DFEDHN
CC(=O)N1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000359015360	428776385	/nfs/dbraw/zinc/77/63/85/428776385.db2.gz	MYKYFDADOBSMQF-SWLSCSKDSA-N	0	3	303.381	2.606	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](CC)O1)C(C)C	ZINC000362519517	428783314	/nfs/dbraw/zinc/78/33/14/428783314.db2.gz	AWXLZTXWVXSXTA-BBWFWOEESA-N	0	3	308.466	2.759	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC)C[C@@H]2C)cc1OC	ZINC000348556878	428789255	/nfs/dbraw/zinc/78/92/55/428789255.db2.gz	QFIDVBBLPZOOTC-HNNXBMFYSA-N	0	3	304.434	2.786	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000411146167	428746688	/nfs/dbraw/zinc/74/66/88/428746688.db2.gz	MTIKTQMKWTVUPH-ZDUSSCGKSA-N	0	3	303.381	2.712	20	30		DFEDHN
C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000362702902	428801371	/nfs/dbraw/zinc/80/13/71/428801371.db2.gz	HCUOBLFEBCFBJY-HLLBOEOZSA-N	0	3	301.434	2.771	20	30		DFEDHN
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCC1(C#N)CCCCC1	ZINC000411562640	428815426	/nfs/dbraw/zinc/81/54/26/428815426.db2.gz	SSTOHWOWDVKOET-JKSUJKDBSA-N	0	3	322.449	2.893	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)cc1	ZINC000359107547	428820288	/nfs/dbraw/zinc/82/02/88/428820288.db2.gz	VOOVSDLPPZXUEG-SFHVURJKSA-N	0	3	314.429	2.742	20	30		DFEDHN
N#Cc1ccccc1OCCN(CCCO)Cc1ccccc1	ZINC000362961104	428825452	/nfs/dbraw/zinc/82/54/52/428825452.db2.gz	UFJGQDBRBRFCOH-UHFFFAOYSA-N	0	3	310.397	2.822	20	30		DFEDHN
C=C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000411659448	428833050	/nfs/dbraw/zinc/83/30/50/428833050.db2.gz	YPDYYJQENSRENR-AWEZNQCLSA-N	0	3	303.362	2.964	20	30		DFEDHN
Cc1cnn(C2CCN(CCOc3ccccc3C#N)CC2)c1	ZINC000363003074	428838710	/nfs/dbraw/zinc/83/87/10/428838710.db2.gz	DODBGSFDVFKZIS-UHFFFAOYSA-N	0	3	310.401	2.779	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1	ZINC000411680401	428839439	/nfs/dbraw/zinc/83/94/39/428839439.db2.gz	USINXGIOUOLVEL-UXHICEINSA-N	0	3	322.408	2.855	20	30		DFEDHN
COc1cc(CN2CCC(c3c[nH]nc3C)CC2)ccc1C#N	ZINC000375272857	428840552	/nfs/dbraw/zinc/84/05/52/428840552.db2.gz	UNIPZWLTJITZLQ-UHFFFAOYSA-N	0	3	310.401	2.978	20	30		DFEDHN
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000411689217	428842371	/nfs/dbraw/zinc/84/23/71/428842371.db2.gz	CJAUARDAGNBCKG-AUUYWEPGSA-N	0	3	319.408	2.839	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cscc1C#N	ZINC000345497626	428910465	/nfs/dbraw/zinc/91/04/65/428910465.db2.gz	ZBGMNXJOHLSSMT-ZDUSSCGKSA-N	0	3	313.426	2.870	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)cn1	ZINC000348936692	428880043	/nfs/dbraw/zinc/88/00/43/428880043.db2.gz	TVTXZYXOSZAOKW-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
CN(C)C1(CN(C)C(=O)C2(c3cccc(C#N)c3)CC2)CCC1	ZINC000354183122	428903985	/nfs/dbraw/zinc/90/39/85/428903985.db2.gz	XDLBUIYYYOSGAS-UHFFFAOYSA-N	0	3	311.429	2.533	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)[C@@H](C)N(CCC)C1=O)C(C)C	ZINC000349038751	428905097	/nfs/dbraw/zinc/90/50/97/428905097.db2.gz	DBOVPLKVBFTYKQ-HZPDHXFCSA-N	0	3	321.465	2.748	20	30		DFEDHN
C=C(C)CCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419216623	428929110	/nfs/dbraw/zinc/92/91/10/428929110.db2.gz	BWGBUMDGYMRZIW-CYBMUJFWSA-N	0	3	300.324	2.658	20	30		DFEDHN
COc1ccc(CN2CCC3(CCOCC3)[C@@H]2C)cc1C#N	ZINC000349203912	428939427	/nfs/dbraw/zinc/93/94/27/428939427.db2.gz	TWMXJSLCRIAEAQ-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)NCC1(C#N)CCC1	ZINC000419654167	428940860	/nfs/dbraw/zinc/94/08/60/428940860.db2.gz	ZGMDPORAKKXZOI-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCOCC2)[C@@H]1C	ZINC000349232381	428943237	/nfs/dbraw/zinc/94/32/37/428943237.db2.gz	BSXPQIUQEHKCKA-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=CCC[C@H](C(=O)NC[C@](C)(O)CCN(C)C)c1ccccc1	ZINC000419970996	428944448	/nfs/dbraw/zinc/94/44/48/428944448.db2.gz	CSEYAPUGHVXHMT-PKOBYXMFSA-N	0	3	318.461	2.555	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CN1C(=O)CN(C2CCC2)C1=O)C(C)C	ZINC000349240856	428947178	/nfs/dbraw/zinc/94/71/78/428947178.db2.gz	HLXUDQRSNIAZOF-INIZCTEOSA-N	0	3	319.449	2.502	20	30		DFEDHN
C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C(=O)NC1(C#N)CCC1	ZINC000412089271	428949128	/nfs/dbraw/zinc/94/91/28/428949128.db2.gz	YHHSGDLJOPISEO-MCIONIFRSA-N	0	3	321.465	2.509	20	30		DFEDHN
C[C@]1(F)CNCCN(c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000420258751	428952923	/nfs/dbraw/zinc/95/29/23/428952923.db2.gz	GOXFSQDNASWDRG-ZDUSSCGKSA-N	0	3	301.287	2.715	20	30		DFEDHN
CC(C)(CNc1cncc(C#N)n1)N1CCc2ccccc2C1	ZINC000420584557	428956757	/nfs/dbraw/zinc/95/67/57/428956757.db2.gz	LBXCMCPJGDMYBY-UHFFFAOYSA-N	0	3	307.401	2.597	20	30		DFEDHN
CC(C)[C@@H](CNc1cncc(C#N)n1)N1CCc2ccccc2C1	ZINC000420580753	428957694	/nfs/dbraw/zinc/95/76/94/428957694.db2.gz	DDAMDNLSUCJTJA-GOSISDBHSA-N	0	3	321.428	2.843	20	30		DFEDHN
CSc1ccc([C@H](CNc2cncc(C#N)n2)N(C)C)cc1	ZINC000420637096	428961502	/nfs/dbraw/zinc/96/15/02/428961502.db2.gz	NGBHGNVWRZHHQV-HNNXBMFYSA-N	0	3	313.430	2.785	20	30		DFEDHN
Cc1cc(CN(CCN(C)C)Cc2ccccn2)ccc1C#N	ZINC000349321375	428962543	/nfs/dbraw/zinc/96/25/43/428962543.db2.gz	XFJTYIXAZHUWRH-UHFFFAOYSA-N	0	3	308.429	2.826	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@H](C)[C@H](O)C2)ccc1OC	ZINC000349346216	428967187	/nfs/dbraw/zinc/96/71/87/428967187.db2.gz	JTKDYXCHBGWTPC-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@@](CO)(NCCOCCC#N)c1cc(Cl)cc(Cl)c1	ZINC000451901830	429015101	/nfs/dbraw/zinc/01/51/01/429015101.db2.gz	BTYGKJKHXOLVHJ-AWEZNQCLSA-N	0	3	317.216	2.721	20	30		DFEDHN
CN(C)CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000354867927	429017946	/nfs/dbraw/zinc/01/79/46/429017946.db2.gz	MCMGAHNARQLAGW-UHFFFAOYSA-N	0	3	307.397	2.770	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C#N)[C@H](c1ccccc1)N(C)C	ZINC000355087709	429026354	/nfs/dbraw/zinc/02/63/54/429026354.db2.gz	ZANMCMBIRLFNFU-RKTXRCNFSA-N	0	3	314.433	2.669	20	30		DFEDHN
CCN(C(=O)NCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000355096545	429027607	/nfs/dbraw/zinc/02/76/07/429027607.db2.gz	IYLNHBBQRIQCFX-QGZVFWFLSA-N	0	3	314.433	2.596	20	30		DFEDHN
CCCc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1	ZINC000355103976	429031194	/nfs/dbraw/zinc/03/11/94/429031194.db2.gz	UAVPBFZTGZNQCT-HNNXBMFYSA-N	0	3	323.400	2.842	20	30		DFEDHN
CCCc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1	ZINC000355103976	429031198	/nfs/dbraw/zinc/03/11/98/429031198.db2.gz	UAVPBFZTGZNQCT-HNNXBMFYSA-N	0	3	323.400	2.842	20	30		DFEDHN
C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1O	ZINC000349406124	428981132	/nfs/dbraw/zinc/98/11/32/428981132.db2.gz	KGQIMHWNCVWYBV-CRAIPNDOSA-N	0	3	324.428	2.666	20	30		DFEDHN
N#CC(C(=O)c1ccc(Br)c(F)c1)c1ccncn1	ZINC000354457460	428987691	/nfs/dbraw/zinc/98/76/91/428987691.db2.gz	BBWRJUPDWXIYCX-SECBINFHSA-N	0	3	320.121	2.868	20	30		DFEDHN
COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1	ZINC000354485739	428990968	/nfs/dbraw/zinc/99/09/68/428990968.db2.gz	AVVGHTCRCIVXBU-BLLLJJGKSA-N	0	3	310.353	2.720	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1nccs1	ZINC000354472648	428992477	/nfs/dbraw/zinc/99/24/77/428992477.db2.gz	PDSOPQNEQXYEAR-ZDUSSCGKSA-N	0	3	323.381	2.831	20	30		DFEDHN
N#CC(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccncn1	ZINC000354482366	428992502	/nfs/dbraw/zinc/99/25/02/428992502.db2.gz	ZQXOSHBXHSBWHD-OAHLLOKOSA-N	0	3	316.320	2.526	20	30		DFEDHN
C=CC[C@H](CO)CNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412236656	428992792	/nfs/dbraw/zinc/99/27/92/428992792.db2.gz	WHXNFOCFYSWIIT-KRWDZBQOSA-N	0	3	316.445	2.587	20	30		DFEDHN
Cc1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc(C)n1	ZINC000421575281	429001768	/nfs/dbraw/zinc/00/17/68/429001768.db2.gz	JORJXNHBDPEMLI-SFHVURJKSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=CCOCC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000354733260	429007103	/nfs/dbraw/zinc/00/71/03/429007103.db2.gz	OYXCUVHKIIOVBQ-FUHWJXTLSA-N	0	3	316.445	2.873	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Br)c(F)c1	ZINC000424082960	429089582	/nfs/dbraw/zinc/08/95/82/429089582.db2.gz	MGLRIIRPZZAWEV-LLVKDONJSA-N	0	3	314.158	2.548	20	30		DFEDHN
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@@H](N)CCCC#N	ZINC000424096689	429090798	/nfs/dbraw/zinc/09/07/98/429090798.db2.gz	PQEBRYHDUZWWTI-KUNBBXKYSA-N	0	3	303.450	2.682	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ncc(-c2ccccc2)s1	ZINC000424105779	429091792	/nfs/dbraw/zinc/09/17/92/429091792.db2.gz	WNZQBMDFOLFFKU-GFCCVEGCSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCCCCC2	ZINC000424107206	429092338	/nfs/dbraw/zinc/09/23/38/429092338.db2.gz	YVPNIVUABZOXQD-LLVKDONJSA-N	0	3	306.435	2.762	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1scnc1-c1ccccc1	ZINC000424115070	429092652	/nfs/dbraw/zinc/09/26/52/429092652.db2.gz	TWYZPDKBFWMHLG-GFCCVEGCSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000424137147	429096113	/nfs/dbraw/zinc/09/61/13/429096113.db2.gz	OMLIETFEGZCONN-QGZVFWFLSA-N	0	3	308.385	2.632	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](OCCOCC)C2)cc1	ZINC000355213689	429036525	/nfs/dbraw/zinc/03/65/25/429036525.db2.gz	RGGHGEPSAXNAOE-GOSISDBHSA-N	0	3	305.418	2.879	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1c1ccccc1	ZINC000376002286	429038192	/nfs/dbraw/zinc/03/81/92/429038192.db2.gz	YUYPWLJFVNTYBE-RBUKOAKNSA-N	0	3	320.392	2.947	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1(O)CCC1	ZINC000355369502	429041202	/nfs/dbraw/zinc/04/12/02/429041202.db2.gz	REYRFODINWDMLD-UHFFFAOYSA-N	0	3	324.428	2.811	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@@H]1CCCN(C(C)=O)C1	ZINC000355414202	429043963	/nfs/dbraw/zinc/04/39/63/429043963.db2.gz	NOCNDELXSTUCKM-INIZCTEOSA-N	0	3	302.418	2.600	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@@H]2CCCCN2C2CC2)c1C#N	ZINC000433807732	429053478	/nfs/dbraw/zinc/05/34/78/429053478.db2.gz	KDIGSBVPRYLHAA-ZDUSSCGKSA-N	0	3	304.825	3.344	20	30		DFEDHN
Cc1nsc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1C#N	ZINC000376172759	429069588	/nfs/dbraw/zinc/06/95/88/429069588.db2.gz	NOOBJLGNCUYWAX-OSAQELSMSA-N	0	3	320.462	2.625	20	30		DFEDHN
C=CCOc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1	ZINC000452171991	429076870	/nfs/dbraw/zinc/07/68/70/429076870.db2.gz	TXEYRNGQGNOELW-HNNXBMFYSA-N	0	3	314.429	2.808	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2c(F)ccc(Br)c2C1	ZINC000452190561	429080886	/nfs/dbraw/zinc/08/08/86/429080886.db2.gz	IIJTWIWCJOJITK-MRVPVSSYSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)Cc1ccccc1	ZINC000424491316	429144486	/nfs/dbraw/zinc/14/44/86/429144486.db2.gz	CZBFLKMUODBDME-MSOLQXFVSA-N	0	3	316.445	2.558	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN(C)Cc1ccccc1	ZINC000424493901	429144551	/nfs/dbraw/zinc/14/45/51/429144551.db2.gz	LQDPBAJYAQXEDW-MSOLQXFVSA-N	0	3	316.445	2.606	20	30		DFEDHN
N#Cc1cc(F)c(N2CCN(c3ccncc3)CC2)c(F)c1	ZINC000301086717	274919539	/nfs/dbraw/zinc/91/95/39/274919539.db2.gz	GSWJDGUVGGTKFT-UHFFFAOYSA-N	0	3	300.312	2.558	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1	ZINC000453424995	429149435	/nfs/dbraw/zinc/14/94/35/429149435.db2.gz	LXABKNPKYAGMGD-OAHLLOKOSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCCN(C(C)C)CC1	ZINC000453453946	429149893	/nfs/dbraw/zinc/14/98/93/429149893.db2.gz	VYSBEEYXCYDNRB-UHFFFAOYSA-N	0	3	319.497	2.973	20	30		DFEDHN
C=CCn1c(-c2ccoc2)nnc1N1CCCN(C(C)C)CC1	ZINC000453425981	429151097	/nfs/dbraw/zinc/15/10/97/429151097.db2.gz	PKZFKOLQNMIQME-UHFFFAOYSA-N	0	3	315.421	2.645	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN1C	ZINC000413167493	429153266	/nfs/dbraw/zinc/15/32/66/429153266.db2.gz	HUJUMPOATRQORR-DLBZAZTESA-N	0	3	301.434	2.567	20	30		DFEDHN
C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H](N)CCCC#N	ZINC000424142697	429098220	/nfs/dbraw/zinc/09/82/20/429098220.db2.gz	VPSUBUHTYQPSST-VXGBXAGGSA-N	0	3	316.430	2.837	20	30		DFEDHN
Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@H](N)CCCC#N)C2)c1	ZINC000424186266	429107167	/nfs/dbraw/zinc/10/71/67/429107167.db2.gz	RMKVBDGUYIPYSZ-DOTOQJQBSA-N	0	3	321.371	2.552	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N(C)CCN1CCOC(C)(C)C1	ZINC000434709562	429108135	/nfs/dbraw/zinc/10/81/35/429108135.db2.gz	VINXMQGCIFYPPA-OAHLLOKOSA-N	0	3	301.434	2.662	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC000434998571	429118802	/nfs/dbraw/zinc/11/88/02/429118802.db2.gz	FSZWBHLDTZXXGR-KRWDZBQOSA-N	0	3	311.429	2.580	20	30		DFEDHN
COC1(CNC(=O)C(C#N)CCc2ccccc2)CCCC1	ZINC000452569114	429129743	/nfs/dbraw/zinc/12/97/43/429129743.db2.gz	DMFFWGNUBFCKJE-INIZCTEOSA-N	0	3	300.402	2.834	20	30		DFEDHN
COC[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000452790423	429138814	/nfs/dbraw/zinc/13/88/14/429138814.db2.gz	CIAXZXVTZNGTQJ-SJLPKXTDSA-N	0	3	300.402	2.644	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)cc(CN)c1	ZINC000424426080	429140496	/nfs/dbraw/zinc/14/04/96/429140496.db2.gz	LDFUBZYXLDITNP-HOCLYGCPSA-N	0	3	303.406	2.556	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCC[C@@H]1C	ZINC000454253663	429161786	/nfs/dbraw/zinc/16/17/86/429161786.db2.gz	FEWDJTHBFIEXGV-VGWMRTNUSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCC(C)(F)F)CC1	ZINC000454469533	429165629	/nfs/dbraw/zinc/16/56/29/429165629.db2.gz	UYHOSZRKGUMHIT-UHFFFAOYSA-N	0	3	303.397	2.762	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CC3CC3)C2)CC1	ZINC000454470017	429165893	/nfs/dbraw/zinc/16/58/93/429165893.db2.gz	VQQSJADZALXYFB-INIZCTEOSA-N	0	3	305.466	2.859	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC[C@H](CC3CC3)C2)CC1	ZINC000454470018	429166139	/nfs/dbraw/zinc/16/61/39/429166139.db2.gz	VQQSJADZALXYFB-MRXNPFEDSA-N	0	3	305.466	2.859	20	30		DFEDHN
Cc1nc(N2CCN(C)[C@H](Cc3ccccc3)C2)ccc1C#N	ZINC000487749462	429166962	/nfs/dbraw/zinc/16/69/62/429166962.db2.gz	CKIXOCFWWIHSJY-GOSISDBHSA-N	0	3	306.413	2.625	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC2(C3CCC3)CCC2)CC1	ZINC000454540052	429166989	/nfs/dbraw/zinc/16/69/89/429166989.db2.gz	JQRIAYPIMUGILH-UHFFFAOYSA-N	0	3	305.466	2.906	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CCOCC1	ZINC000424583484	429158060	/nfs/dbraw/zinc/15/80/60/429158060.db2.gz	LYHHZYBLRYWSCP-JKSUJKDBSA-N	0	3	308.466	2.596	20	30		DFEDHN
Cc1cc(CN2CCC[C@H](CNC(=O)C(C)C)C2)ccc1C#N	ZINC000487915096	429172700	/nfs/dbraw/zinc/17/27/00/429172700.db2.gz	PJWUXPKWGCISCZ-QGZVFWFLSA-N	0	3	313.445	2.851	20	30		DFEDHN
COCCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C	ZINC000487979271	429175147	/nfs/dbraw/zinc/17/51/47/429175147.db2.gz	ZQYCWBSIRUVSNZ-YOEHRIQHSA-N	0	3	315.417	2.634	20	30		DFEDHN
C=C(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000454873064	429175249	/nfs/dbraw/zinc/17/52/49/429175249.db2.gz	NJJVMPMRLYYPOB-QGZVFWFLSA-N	0	3	301.434	2.774	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1OC)C(C)C	ZINC000455425763	429189206	/nfs/dbraw/zinc/18/92/06/429189206.db2.gz	YJSOVCDXEFJWBM-IXDOHACOSA-N	0	3	323.481	2.552	20	30		DFEDHN
C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCCC[C@H]1C	ZINC000488627304	429187794	/nfs/dbraw/zinc/18/77/94/429187794.db2.gz	QXWLNTTWLSMSMW-OLZOCXBDSA-N	0	3	303.381	2.690	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccc(C#N)c2F)C1	ZINC000495482464	429213658	/nfs/dbraw/zinc/21/36/58/429213658.db2.gz	VRIJOSVRPAPTSW-IUODEOHRSA-N	0	3	319.380	2.654	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(C#N)cc2F)C1	ZINC000495542099	429220410	/nfs/dbraw/zinc/22/04/10/429220410.db2.gz	QQDOQKAGFXYVBZ-WFASDCNBSA-N	0	3	319.380	2.654	20	30		DFEDHN
COc1cc(CNCCOc2ccccc2F)ccc1C#N	ZINC000440820463	429227041	/nfs/dbraw/zinc/22/70/41/429227041.db2.gz	OPUIQJTUOYZTCF-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC1CCC(C#N)CC1	ZINC000441042106	429229401	/nfs/dbraw/zinc/22/94/01/429229401.db2.gz	UCUUZTUWPHNRGW-NUWOQIAWSA-N	0	3	320.481	2.878	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCOC2)C1	ZINC000441285031	429229794	/nfs/dbraw/zinc/22/97/94/429229794.db2.gz	LOAFPYBIRSGPKZ-YESZJQIVSA-N	0	3	308.466	2.548	20	30		DFEDHN
C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCCC[C@H]1C	ZINC000441004114	429229892	/nfs/dbraw/zinc/22/98/92/429229892.db2.gz	ZGLYZGMUZZANED-NUWOQIAWSA-N	0	3	320.481	2.878	20	30		DFEDHN
C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N1CCC(C)CC1	ZINC000441008479	429229979	/nfs/dbraw/zinc/22/99/79/429229979.db2.gz	YUOCFMUCQZJKLR-KLAILNCOSA-N	0	3	320.481	2.736	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCN(C(=O)OCC)C1	ZINC000495341792	429200962	/nfs/dbraw/zinc/20/09/62/429200962.db2.gz	GOTZCUIEHZUKQW-HNNXBMFYSA-N	0	3	304.390	2.572	20	30		DFEDHN
CN1CCC[C@@H]1CNC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455699702	429201012	/nfs/dbraw/zinc/20/10/12/429201012.db2.gz	HQZWNWQJCCSKIU-GFCCVEGCSA-N	0	3	306.797	2.622	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)c1	ZINC000364434564	429201946	/nfs/dbraw/zinc/20/19/46/429201946.db2.gz	NHTLCEGPYNAXLN-IBGZPJMESA-N	0	3	303.365	2.654	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455724139	429203793	/nfs/dbraw/zinc/20/37/93/429203793.db2.gz	BTUZFVMGJKVTEU-GFCCVEGCSA-N	0	3	320.824	2.964	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)NCC2CCC(C#N)CC2)C1	ZINC000442735416	429234443	/nfs/dbraw/zinc/23/44/43/429234443.db2.gz	GKFIVCDQVMJLFZ-UHFFFAOYSA-N	0	3	320.481	2.738	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C1	ZINC000442715168	429234999	/nfs/dbraw/zinc/23/49/99/429234999.db2.gz	ZGAIYRNESDMYOQ-RHSMWYFYSA-N	0	3	323.396	2.991	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000442676080	429235754	/nfs/dbraw/zinc/23/57/54/429235754.db2.gz	GNWQFODYDQASJY-CRAIPNDOSA-N	0	3	311.429	2.954	20	30		DFEDHN
C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[C@@H](C#N)C3)c2)CCO1	ZINC000442798287	429236832	/nfs/dbraw/zinc/23/68/32/429236832.db2.gz	YJUABHKVVWFSQO-MDZRGWNJSA-N	0	3	313.445	2.689	20	30		DFEDHN
COCc1nc(CNC(=O)C(C)C#N)c(-c2ccccc2)s1	ZINC000442842586	429237942	/nfs/dbraw/zinc/23/79/42/429237942.db2.gz	QJKMQTBFWDRNQP-LLVKDONJSA-N	0	3	315.398	2.732	20	30		DFEDHN
COc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1C#N	ZINC000442886104	429238334	/nfs/dbraw/zinc/23/83/34/429238334.db2.gz	PYTYWIQLCCOGOY-GOSISDBHSA-N	0	3	300.402	2.959	20	30		DFEDHN
COCCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CCCSC1	ZINC000443070074	429245767	/nfs/dbraw/zinc/24/57/67/429245767.db2.gz	QHOMAFNNJKNXPV-INIZCTEOSA-N	0	3	320.458	2.911	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H](CNC[C@@H](C#N)CCC#N)C1	ZINC000495709894	429250414	/nfs/dbraw/zinc/25/04/14/429250414.db2.gz	CODBDYQUWXRZOB-CABCVRRESA-N	0	3	320.437	2.667	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443516963	429253862	/nfs/dbraw/zinc/25/38/62/429253862.db2.gz	OLMFHGAIAHXHFF-UHFFFAOYSA-N	0	3	324.350	3.424	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443521037	429254849	/nfs/dbraw/zinc/25/48/49/429254849.db2.gz	UBESCBLUCLWEAH-GXFFZTMASA-N	0	3	312.339	2.748	20	30		DFEDHN
Cc1c(C#N)c(N2CCC[C@H]3CN(C)C[C@H]32)nc2ccccc12	ZINC000425280067	429256718	/nfs/dbraw/zinc/25/67/18/429256718.db2.gz	GUYASZPLOOYKMT-KBXCAEBGSA-N	0	3	306.413	2.945	20	30		DFEDHN
C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000495795562	429267631	/nfs/dbraw/zinc/26/76/31/429267631.db2.gz	PSJWXXSIBIPGQO-CABCVRRESA-N	0	3	310.438	2.663	20	30		DFEDHN
CC1C(NNc2cccc(F)n2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000495808661	429269527	/nfs/dbraw/zinc/26/95/27/429269527.db2.gz	GARZLTVNRHONJN-VIFPVBQESA-N	0	3	322.340	2.545	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCc2c1ccc(F)c2Br	ZINC000456281798	429270255	/nfs/dbraw/zinc/27/02/55/429270255.db2.gz	WCAYERAILCVUHD-HQJQHLMTSA-N	0	3	311.154	2.851	20	30		DFEDHN
C=CCOc1ccccc1CNCC1CCN(C(=O)OC)CC1	ZINC000495815872	429271291	/nfs/dbraw/zinc/27/12/91/429271291.db2.gz	DNWDBARJMZUVIW-UHFFFAOYSA-N	0	3	318.417	2.819	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C	ZINC000490036757	429274486	/nfs/dbraw/zinc/27/44/86/429274486.db2.gz	RKPQTRZTEYOKGY-FUHWJXTLSA-N	0	3	313.445	2.935	20	30		DFEDHN
CCCNC(=O)OC[C@H]1CCCCN1CCCSCC#N	ZINC000495834410	429275431	/nfs/dbraw/zinc/27/54/31/429275431.db2.gz	CBUGPPYXHSUAQA-CQSZACIVSA-N	0	3	313.467	2.624	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@H]2CCc3n[nH]cc3C2)c1Cl	ZINC000365448159	429320113	/nfs/dbraw/zinc/32/01/13/429320113.db2.gz	BAIXYRMOZMSKGV-NSHDSACASA-N	0	3	304.756	2.721	20	30		DFEDHN
C[C@H](NC(C)(C)CNC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448900410	429320766	/nfs/dbraw/zinc/32/07/66/429320766.db2.gz	QSCHKOLKUHAMIO-AWEZNQCLSA-N	0	3	324.428	2.756	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]2)CC1	ZINC000448924788	429321913	/nfs/dbraw/zinc/32/19/13/429321913.db2.gz	ZJYNBCUIOZRPQN-UHFFFAOYSA-N	0	3	315.339	2.804	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(-c3ncco3)cc2C)CC1	ZINC000491126348	429327832	/nfs/dbraw/zinc/32/78/32/429327832.db2.gz	NFBUESNRRVYLKT-UHFFFAOYSA-N	0	3	323.396	2.934	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1	ZINC000491155163	429329762	/nfs/dbraw/zinc/32/97/62/429329762.db2.gz	OYRCVGNMQDXQPR-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1nc(C(F)(F)F)cs1	ZINC000491210706	429335917	/nfs/dbraw/zinc/33/59/17/429335917.db2.gz	XTIRFQRJTUFFTL-SNVBAGLBSA-N	0	3	305.369	2.768	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(c3ccc(Cl)cc3)CC2)CC1	ZINC000491220254	429337222	/nfs/dbraw/zinc/33/72/22/429337222.db2.gz	LXRUPUCPVNALQW-UHFFFAOYSA-N	0	3	316.832	2.791	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1)C(C)C	ZINC000491276436	429343094	/nfs/dbraw/zinc/34/30/94/429343094.db2.gz	JCDZUKVWZXSNKK-SOUVJXGZSA-N	0	3	305.422	2.666	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000449156639	429346099	/nfs/dbraw/zinc/34/60/99/429346099.db2.gz	SVXDWKAFZHKLSN-GDBMZVCRSA-N	0	3	304.438	2.640	20	30		DFEDHN
CC[C@@H]1CN(CC)CCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456369782	429291124	/nfs/dbraw/zinc/29/11/24/429291124.db2.gz	GBCXGLJPEVIFOW-QZTJIDSGSA-N	0	3	313.445	2.702	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1	ZINC000490604995	429296703	/nfs/dbraw/zinc/29/67/03/429296703.db2.gz	OYUALLKTWOIGIN-HNNXBMFYSA-N	0	3	316.449	2.774	20	30		DFEDHN
C[C@@H](SCCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000446565456	429299428	/nfs/dbraw/zinc/29/94/28/429299428.db2.gz	NUOZSMULMPXTIT-SNVBAGLBSA-N	0	3	311.838	2.833	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1CCN([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000495957270	429300243	/nfs/dbraw/zinc/30/02/43/429300243.db2.gz	MMEGDWXZSQTHGX-CABCVRRESA-N	0	3	307.438	2.915	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2sccc2CN(C)C)CC1	ZINC000446922797	429300742	/nfs/dbraw/zinc/30/07/42/429300742.db2.gz	OEBTYHZDXBVVKX-UHFFFAOYSA-N	0	3	321.490	2.580	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3cn(C(C)C)nc3c2)CC1	ZINC000490689102	429301142	/nfs/dbraw/zinc/30/11/42/429301142.db2.gz	NBYACRNBJDRHER-UHFFFAOYSA-N	0	3	324.428	2.901	20	30		DFEDHN
C#C[C@H](CCC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000490739124	429304191	/nfs/dbraw/zinc/30/41/91/429304191.db2.gz	GSFXLBZMRPUGFO-ZWKOTPCHSA-N	0	3	313.445	2.610	20	30		DFEDHN
C=CCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000448002541	429309536	/nfs/dbraw/zinc/30/95/36/429309536.db2.gz	XZVBAATVTCUPFI-RDJZCZTQSA-N	0	3	301.434	2.772	20	30		DFEDHN
CN(CCCN(C)C(=O)OC(C)(C)C)Cc1cc(C#N)n(C)c1	ZINC000496542103	429314517	/nfs/dbraw/zinc/31/45/17/429314517.db2.gz	HMVILZNSQMLCRG-UHFFFAOYSA-N	0	3	320.437	2.586	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)Nc1cccnc1	ZINC000425536464	429317344	/nfs/dbraw/zinc/31/73/44/429317344.db2.gz	OQFYVWUKLNSXKX-AWEZNQCLSA-N	0	3	308.385	2.975	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COCc1ccco1	ZINC000425536621	429317672	/nfs/dbraw/zinc/31/76/72/429317672.db2.gz	IXTNVMNUDTUEKS-WMLDXEAASA-N	0	3	314.385	2.722	20	30		DFEDHN
C#CCNC(=O)C1CCN(C[C@H](C)c2cc(F)cc(F)c2)CC1	ZINC000491694664	429393166	/nfs/dbraw/zinc/39/31/66/429393166.db2.gz	MYDFDSYTCVMTFW-ZDUSSCGKSA-N	0	3	320.383	2.530	20	30		DFEDHN
C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000491727185	429396912	/nfs/dbraw/zinc/39/69/12/429396912.db2.gz	LFWZTOYAKIFQAX-SWLSCSKDSA-N	0	3	303.362	2.559	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000457093933	429398190	/nfs/dbraw/zinc/39/81/90/429398190.db2.gz	OLEBRSQCWHVTDL-KRWDZBQOSA-N	0	3	311.429	2.796	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](N)c1ccccc1CC)C1CCCC1	ZINC000491733283	429399455	/nfs/dbraw/zinc/39/94/55/429399455.db2.gz	DDOKKCIPMLTGJU-GOSISDBHSA-N	0	3	313.445	2.836	20	30		DFEDHN
CC[C@H](CO)N(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000449377009	429401843	/nfs/dbraw/zinc/40/18/43/429401843.db2.gz	QXNMFNKCDUZOKF-OAHLLOKOSA-N	0	3	306.406	2.580	20	30		DFEDHN
CO[C@H](CNCc1cnc2ccc(C#N)cn12)Cc1ccccc1	ZINC000449395788	429404479	/nfs/dbraw/zinc/40/44/79/429404479.db2.gz	VSYRADOFWNSYDO-SFHVURJKSA-N	0	3	320.396	2.553	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H](c2nccn2C)C1	ZINC000365621075	429353492	/nfs/dbraw/zinc/35/34/92/429353492.db2.gz	IGBDXAGLMQPJAD-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cnc(-c2ccsc2)s1	ZINC000491392710	429356371	/nfs/dbraw/zinc/35/63/71/429356371.db2.gz	DPFXDIWJKKPXNK-UHFFFAOYSA-N	0	3	319.455	2.557	20	30		DFEDHN
C#C[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Br)cc1	ZINC000491393402	429356850	/nfs/dbraw/zinc/35/68/50/429356850.db2.gz	HMMVERVKGCSLNL-KGLIPLIRSA-N	0	3	323.234	2.580	20	30		DFEDHN
C=C(C)CN1CCC[C@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC1	ZINC000366014163	429409987	/nfs/dbraw/zinc/40/99/87/429409987.db2.gz	XWBNBTXVGSVHJH-INIZCTEOSA-N	0	3	324.465	2.607	20	30		DFEDHN
CC1(C#N)CCC(NCc2ccc(S(C)(=O)=O)s2)CC1	ZINC000449273892	429374494	/nfs/dbraw/zinc/37/44/94/429374494.db2.gz	XXKRTKADBKSBOQ-UHFFFAOYSA-N	0	3	312.460	2.714	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@H]2CCCC[C@@H]21	ZINC000515548568	429378377	/nfs/dbraw/zinc/37/83/77/429378377.db2.gz	HJRYTIREZZPCKP-XLMAVXFVSA-N	0	3	305.466	2.941	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C	ZINC000491637013	429382175	/nfs/dbraw/zinc/38/21/75/429382175.db2.gz	WKBCMGZRRGXPJZ-WMLDXEAASA-N	0	3	301.434	2.515	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1noc2c1CCCC2	ZINC000517066799	429386576	/nfs/dbraw/zinc/38/65/76/429386576.db2.gz	YHUKHJIJBDBWBS-OAHLLOKOSA-N	0	3	323.396	2.942	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCc2ccc(Cl)c(C)c2)CC1	ZINC000491661527	429386836	/nfs/dbraw/zinc/38/68/36/429386836.db2.gz	DUEGRNMUYJDOSM-UHFFFAOYSA-N	0	3	318.848	2.652	20	30		DFEDHN
C#C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1	ZINC000491671387	429388684	/nfs/dbraw/zinc/38/86/84/429388684.db2.gz	SBDQYMPEGPAXLO-GDBMZVCRSA-N	0	3	317.820	2.550	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cnn(Cc2ccc(F)cc2)c1	ZINC000449519460	429442720	/nfs/dbraw/zinc/44/27/20/429442720.db2.gz	MRSLNTFEHKCGKN-SJORKVTESA-N	0	3	301.365	2.504	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2nnc[nH]2)C1	ZINC000366352832	429448929	/nfs/dbraw/zinc/44/89/29/429448929.db2.gz	GNGPHVQFJLTUDR-OAHLLOKOSA-N	0	3	309.417	2.985	20	30		DFEDHN
Cc1c(C)c(C)c(CNC[C@H](O)CN(C)CCC#N)c(C)c1C	ZINC000519386288	429456818	/nfs/dbraw/zinc/45/68/18/429456818.db2.gz	LBZXIFJTCHUZBU-SFHVURJKSA-N	0	3	317.477	2.525	20	30		DFEDHN
CCc1ncc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)o1	ZINC000449607157	429459927	/nfs/dbraw/zinc/45/99/27/429459927.db2.gz	AEHNPBGFYUSELU-UHFFFAOYSA-N	0	3	324.428	2.863	20	30		DFEDHN
CN(C)CCN(C(=O)/C=C/c1ccc(C#N)cc1)C1CCCC1	ZINC000491844242	429419566	/nfs/dbraw/zinc/41/95/66/429419566.db2.gz	KSPCGRCRVWBWHS-VAWYXSNFSA-N	0	3	311.429	2.904	20	30		DFEDHN
CC(C)N(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCOC1	ZINC000428484844	429529807	/nfs/dbraw/zinc/52/98/07/429529807.db2.gz	RAZXYDHAIBLPPC-DLBZAZTESA-N	0	3	300.402	2.785	20	30		DFEDHN
CC(C)N(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCOC1	ZINC000428484848	429529906	/nfs/dbraw/zinc/52/99/06/429529906.db2.gz	RAZXYDHAIBLPPC-IRXDYDNUSA-N	0	3	300.402	2.785	20	30		DFEDHN
C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000492137754	429475528	/nfs/dbraw/zinc/47/55/28/429475528.db2.gz	VPLPLQBVJJRZGE-CYBMUJFWSA-N	0	3	303.406	2.903	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccccc1	ZINC000457534998	429482782	/nfs/dbraw/zinc/48/27/82/429482782.db2.gz	SINXMKOVGMHQDY-OAHLLOKOSA-N	0	3	302.422	2.528	20	30		DFEDHN
C[C@H](CC(=O)N1CCCCCC1)NCc1ccc(C#N)c(F)c1	ZINC000449735234	429491136	/nfs/dbraw/zinc/49/11/36/429491136.db2.gz	GLIHMFOGIUNRCY-CQSZACIVSA-N	0	3	317.408	2.968	20	30		DFEDHN
Cc1cnn([C@H]2CCN(C(=O)C(C#N)CCc3ccccc3)C2)c1	ZINC000428150497	429494470	/nfs/dbraw/zinc/49/44/70/429494470.db2.gz	KIZIHYHEEFGALU-ROUUACIJSA-N	0	3	322.412	2.738	20	30		DFEDHN
Cn1cc(CN2CC[C@H]3OCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1	ZINC000366743567	429504903	/nfs/dbraw/zinc/50/49/03/429504903.db2.gz	GKXZZAMJDWVUEW-FUHWJXTLSA-N	0	3	322.412	2.570	20	30		DFEDHN
CN(C)C/C=C/C(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000492381115	429524904	/nfs/dbraw/zinc/52/49/04/429524904.db2.gz	BIHSWUYOSPBCBA-VMPITWQZSA-N	0	3	319.408	2.959	20	30		DFEDHN
N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1[C@@H]1CCCO1	ZINC000366969514	429549896	/nfs/dbraw/zinc/54/98/96/429549896.db2.gz	MCHXMGHJECXKAD-KGLIPLIRSA-N	0	3	319.430	2.592	20	30		DFEDHN
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2)C1	ZINC000428796702	429555047	/nfs/dbraw/zinc/55/50/47/429555047.db2.gz	MTHOGSSACDEMQR-FQEVSTJZSA-N	0	3	320.392	2.875	20	30		DFEDHN
COC1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1	ZINC000458054977	429571758	/nfs/dbraw/zinc/57/17/58/429571758.db2.gz	BXKPDWQRQXOQKY-KLAILNCOSA-N	0	3	300.402	2.833	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N1CCNC[C@@](C)(F)C1	ZINC000521987634	429572644	/nfs/dbraw/zinc/57/26/44/429572644.db2.gz	BCGHVRLJAOBQHT-QGZVFWFLSA-N	0	3	316.355	2.692	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCc2ccc(CC#N)cc2)cc1	ZINC000522059828	429577469	/nfs/dbraw/zinc/57/74/69/429577469.db2.gz	BZANJICXZFYRSL-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC[C@@H]1C	ZINC000450258155	429587686	/nfs/dbraw/zinc/58/76/86/429587686.db2.gz	PFKAJLHXNYWLKM-NWDGAFQWSA-N	0	3	303.366	2.536	20	30		DFEDHN
CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N	ZINC000492821475	429623514	/nfs/dbraw/zinc/62/35/14/429623514.db2.gz	YFVRJNHXPJNVKA-BLLLJJGKSA-N	0	3	311.426	2.592	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3nccc(C#N)n3)c2)CC1	ZINC000450421630	429624153	/nfs/dbraw/zinc/62/41/53/429624153.db2.gz	TXYHEEGEPZLMAK-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N(c1ccccc1)C(C)C	ZINC000429713719	429626936	/nfs/dbraw/zinc/62/69/36/429626936.db2.gz	JMDYZNUVJVQHGA-UHFFFAOYSA-N	0	3	317.477	2.868	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C	ZINC000429716116	429627377	/nfs/dbraw/zinc/62/73/77/429627377.db2.gz	JVNSGOABBZRLPP-ZACQAIPSSA-N	0	3	309.498	2.510	20	30		DFEDHN
CC#CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000458404127	429634439	/nfs/dbraw/zinc/63/44/39/429634439.db2.gz	JFXMPDOCVGJKFQ-MRXNPFEDSA-N	0	3	313.445	2.877	20	30		DFEDHN
C=CCN(C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C)C1CC1	ZINC000367389040	429638426	/nfs/dbraw/zinc/63/84/26/429638426.db2.gz	FTLYESCUQSAILS-QZTJIDSGSA-N	0	3	313.445	2.964	20	30		DFEDHN
N#Cc1ccc(OCCNc2ccncc2-c2cccnc2)cc1	ZINC000367433750	429647451	/nfs/dbraw/zinc/64/74/51/429647451.db2.gz	ANBAFNPZPUFYAX-UHFFFAOYSA-N	0	3	316.364	2.928	20	30		DFEDHN
N#Cc1ccnc(NC[C@H]2CCCN(Cc3cccnc3)C2)c1	ZINC000367442750	429650191	/nfs/dbraw/zinc/65/01/91/429650191.db2.gz	KMQQKKYGHQHJDO-QGZVFWFLSA-N	0	3	307.401	2.672	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1sccc1C#N	ZINC000458196959	429597326	/nfs/dbraw/zinc/59/73/26/429597326.db2.gz	FCNIOVSMBFAAOA-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(C#N)ccc1Br	ZINC000492749532	429606747	/nfs/dbraw/zinc/60/67/47/429606747.db2.gz	OCHPAUOCEKAYNE-NWDGAFQWSA-N	0	3	322.250	2.845	20	30		DFEDHN
N#Cc1ncn(CCN[C@@H]2CC3(CCCC3)Oc3ccccc32)n1	ZINC000367534236	429666434	/nfs/dbraw/zinc/66/64/34/429666434.db2.gz	SWXZLNYXAHPQDL-OAHLLOKOSA-N	0	3	323.400	2.576	20	30		DFEDHN
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCSCC#N)C1	ZINC000493099507	429688801	/nfs/dbraw/zinc/68/88/01/429688801.db2.gz	RUBWIDZSTXDQPD-CYBMUJFWSA-N	0	3	313.467	2.574	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(N3C[C@H]4CCN(C)[C@H]4C3)c2c1	ZINC000450779333	429697878	/nfs/dbraw/zinc/69/78/78/429697878.db2.gz	NDABFMXZFJOPAR-PBHICJAKSA-N	0	3	306.413	2.864	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000450789476	429700416	/nfs/dbraw/zinc/70/04/16/429700416.db2.gz	FZLGRMUHKMSBCD-ATZDWAIDSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC(C)CN(CCOc1cccc(C#N)c1)Cc1cnn(C)c1	ZINC000459584088	429701140	/nfs/dbraw/zinc/70/11/40/429701140.db2.gz	BAAYCZKPVSQVPR-UHFFFAOYSA-N	0	3	312.417	2.829	20	30		DFEDHN
COc1cc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)ccc1C#N	ZINC000459778982	429702623	/nfs/dbraw/zinc/70/26/23/429702623.db2.gz	UJINRGCDFHVGDB-ZDUSSCGKSA-N	0	3	318.417	2.976	20	30		DFEDHN
C[C@H](NCCc1cn2c(n1)SCC2)c1ccc(C#N)cc1F	ZINC000527289621	429739516	/nfs/dbraw/zinc/73/95/16/429739516.db2.gz	RNFFXNQMGQBOGT-NSHDSACASA-N	0	3	316.405	2.893	20	30		DFEDHN
C[C@@H](NCCc1cn2c(n1)SCC2)c1ccc(C#N)cc1F	ZINC000527289620	429739619	/nfs/dbraw/zinc/73/96/19/429739619.db2.gz	RNFFXNQMGQBOGT-LLVKDONJSA-N	0	3	316.405	2.893	20	30		DFEDHN
O[C@@H]1C[C@@H]([C@H]2CCCOC2)N(CC#Cc2ccc(Cl)cc2)C1	ZINC000451293270	429805371	/nfs/dbraw/zinc/80/53/71/429805371.db2.gz	AYVVGRGCRXFNQU-JQHSSLGASA-N	0	3	319.832	2.553	20	30		DFEDHN
CC[C@@]1(CO)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000451063681	429759312	/nfs/dbraw/zinc/75/93/12/429759312.db2.gz	QFYBAQRUIJRBEE-PKOBYXMFSA-N	0	3	314.429	2.770	20	30		DFEDHN
CC[C@]1(CO)CCCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000451063675	429759420	/nfs/dbraw/zinc/75/94/20/429759420.db2.gz	QFYBAQRUIJRBEE-HKUYNNGSSA-N	0	3	314.429	2.770	20	30		DFEDHN
Cc1cc(C)c(C(=O)NC2CCN([C@@H](C)CCC#N)CC2)o1	ZINC000527577019	429763710	/nfs/dbraw/zinc/76/37/10/429763710.db2.gz	IATHPHQORYVRAN-ZDUSSCGKSA-N	0	3	303.406	2.783	20	30		DFEDHN
CN(C)C/C=C/C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000493455171	429766839	/nfs/dbraw/zinc/76/68/39/429766839.db2.gz	PKRRUXBEHAWEOP-VOTSOKGWSA-N	0	3	301.390	2.792	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cccc(C#N)c1F	ZINC000451235109	429791346	/nfs/dbraw/zinc/79/13/46/429791346.db2.gz	HNINYYMVFPITIL-CABCVRRESA-N	0	3	304.365	2.909	20	30		DFEDHN
COc1ccc(CN2CC[C@H]2CNCc2cccc(C#N)c2)cc1	ZINC000527769989	429795249	/nfs/dbraw/zinc/79/52/49/429795249.db2.gz	ATRWNSDOYOGGSS-IBGZPJMESA-N	0	3	321.424	2.931	20	30		DFEDHN
N#CC1CCC(CNC(=O)NC[C@H]2CCN2C2CCCC2)CC1	ZINC000527907291	429818280	/nfs/dbraw/zinc/81/82/80/429818280.db2.gz	VUFVFNWPQYSACT-VMBOVVBDSA-N	0	3	318.465	2.632	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCC(CF)CC1	ZINC000451386790	429820887	/nfs/dbraw/zinc/82/08/87/429820887.db2.gz	AYNQTEUHXGDMAM-QGZVFWFLSA-N	0	3	307.409	2.836	20	30		DFEDHN
Cc1ccnc(C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000368327304	429831845	/nfs/dbraw/zinc/83/18/45/429831845.db2.gz	KFEPXUHUXMLWQC-GOSISDBHSA-N	0	3	322.412	2.570	20	30		DFEDHN
CO[C@@H]1C[C@H](NCC(=O)Nc2sc(C)c(C)c2C#N)C1(C)C	ZINC000451504493	429837083	/nfs/dbraw/zinc/83/70/83/429837083.db2.gz	QPEUJERJELOAEI-QWHCGFSZSA-N	0	3	321.446	2.578	20	30		DFEDHN
CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C	ZINC000451504587	429837798	/nfs/dbraw/zinc/83/77/98/429837798.db2.gz	RBFXEVUTLZUFJS-ZIAGYGMSSA-N	0	3	321.808	2.553	20	30		DFEDHN
CC(C)[C@@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1	ZINC000528125930	429851839	/nfs/dbraw/zinc/85/18/39/429851839.db2.gz	MCKDDHCVYXOOPJ-KRWDZBQOSA-N	0	3	321.428	2.695	20	30		DFEDHN
CO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)CC1(C)C	ZINC000451550737	429852455	/nfs/dbraw/zinc/85/24/55/429852455.db2.gz	JOKOOXSKXQPEIE-ZDUSSCGKSA-N	0	3	321.446	2.695	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](CC)c1ccc(Cl)cc1	ZINC000451604161	429860804	/nfs/dbraw/zinc/86/08/04/429860804.db2.gz	GOCPWKOTIVYLHV-XHSDSOJGSA-N	0	3	322.836	2.840	20	30		DFEDHN
CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451636280	429864418	/nfs/dbraw/zinc/86/44/18/429864418.db2.gz	ZHMXKWJYEWKGPH-COLVAYQJSA-N	0	3	321.808	2.696	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)Cc2ccccc2C)CC1	ZINC000528450496	429890026	/nfs/dbraw/zinc/89/00/26/429890026.db2.gz	TZQCBLUHYCRUDX-MRXNPFEDSA-N	0	3	300.446	2.940	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(C)c(Cl)cn2)CC1	ZINC000528450574	429890260	/nfs/dbraw/zinc/89/02/60/429890260.db2.gz	VARDKTKCHCVIHS-UHFFFAOYSA-N	0	3	321.852	2.743	20	30		DFEDHN
CC[C@H]1CN(c2ccccc2)CCN1C[C@@H](O)CC1(C#N)CC1	ZINC000528453292	429890740	/nfs/dbraw/zinc/89/07/40/429890740.db2.gz	ZTYFRPBKASVXIZ-WMZOPIPTSA-N	0	3	313.445	2.642	20	30		DFEDHN
C[C@]12CCN(C[C@@H](O)CC3(C#N)CC3)C[C@H]1C2(Cl)Cl	ZINC000528496047	429893480	/nfs/dbraw/zinc/89/34/80/429893480.db2.gz	GIOZLYYJBZOFBS-TUAOUCFPSA-N	0	3	303.233	2.557	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)C1(F)F	ZINC000528583259	429901002	/nfs/dbraw/zinc/90/10/02/429901002.db2.gz	PJWSVMPIVRKCQD-UMVBOHGHSA-N	0	3	324.371	2.521	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528783084	429915479	/nfs/dbraw/zinc/91/54/79/429915479.db2.gz	FYWSVDFNXWQHED-VVBPWWLESA-N	0	3	316.470	2.973	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N1c2ccccc2CC[C@@H]1C	ZINC000451677568	429870648	/nfs/dbraw/zinc/87/06/48/429870648.db2.gz	GPVNAPGRAULXPC-LESCRADOSA-N	0	3	314.429	2.678	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637120812	429987463	/nfs/dbraw/zinc/98/74/63/429987463.db2.gz	MSFWLPSWOSLWEO-ZDUSSCGKSA-N	0	3	305.426	2.626	20	30		DFEDHN
CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cccnn2)cc1	ZINC000528915145	429933631	/nfs/dbraw/zinc/93/36/31/429933631.db2.gz	AINRQTRJVHIHTH-HNNXBMFYSA-N	0	3	322.368	2.780	20	30		DFEDHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccsc1	ZINC000528923088	429934756	/nfs/dbraw/zinc/93/47/56/429934756.db2.gz	DFQDOXPUEIUULO-MJBXVCDLSA-N	0	3	302.399	2.619	20	30		DFEDHN
CO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)c1ccc(F)cc1	ZINC000528918100	429935027	/nfs/dbraw/zinc/93/50/27/429935027.db2.gz	OAGQKEQYWDTFOY-PBHICJAKSA-N	0	3	313.332	2.797	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C[C@H]2CCOC2)C1	ZINC000369421492	429941358	/nfs/dbraw/zinc/94/13/58/429941358.db2.gz	CKLICQXLKJVUFG-RCCFBDPRSA-N	0	3	320.477	2.714	20	30		DFEDHN
CCc1ccccc1CNC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000573359635	429947814	/nfs/dbraw/zinc/94/78/14/429947814.db2.gz	ZFGQFAOOVDKHEJ-LJQANCHMSA-N	0	3	324.424	2.845	20	30		DFEDHN
C[C@@H](NC(=O)CCN(C)c1ccncc1)c1ccc(C#N)cc1	ZINC000557712521	429953218	/nfs/dbraw/zinc/95/32/18/429953218.db2.gz	LQJJVNLJTQNLSY-CQSZACIVSA-N	0	3	308.385	2.657	20	30		DFEDHN
CCC[C@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574376367	430035012	/nfs/dbraw/zinc/03/50/12/430035012.db2.gz	KWMRDENSEPNULZ-SFHVURJKSA-N	0	3	321.428	2.839	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCC2(CCSCC2)CC1	ZINC000639979975	430042989	/nfs/dbraw/zinc/04/29/89/430042989.db2.gz	NNFHGLXGPBEHMT-UHFFFAOYSA-N	0	3	308.491	2.796	20	30		DFEDHN
C=CCC(C)(C)CNC(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637170646	429994313	/nfs/dbraw/zinc/99/43/13/429994313.db2.gz	OOGZZQORAWUBBF-UHFFFAOYSA-N	0	3	319.453	2.874	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@@H]1c1ccccc1	ZINC000574135968	430012385	/nfs/dbraw/zinc/01/23/85/430012385.db2.gz	GRCPBCGLCZAKAY-SJORKVTESA-N	0	3	311.429	2.817	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000637321504	430023680	/nfs/dbraw/zinc/02/36/80/430023680.db2.gz	WNOUUBLZTWGJHY-UHFFFAOYSA-N	0	3	318.465	2.757	20	30		DFEDHN
CC(=O)c1cc(C#N)ccc1NC(=O)C1CCN(C(C)C)CC1	ZINC000637328079	430026281	/nfs/dbraw/zinc/02/62/81/430026281.db2.gz	PSDKDFGFDOYBDJ-UHFFFAOYSA-N	0	3	313.401	2.820	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CNCc1ccc(C#N)s1	ZINC000561403727	430089916	/nfs/dbraw/zinc/08/99/16/430089916.db2.gz	HXDNXQIQDDDJFP-CQSZACIVSA-N	0	3	316.426	2.766	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)Nc1cnn(C2CCN(C)CC2)c1	ZINC000637665939	430101230	/nfs/dbraw/zinc/10/12/30/430101230.db2.gz	VJVKYFAALTZOBJ-OAHLLOKOSA-N	0	3	317.437	2.722	20	30		DFEDHN
Cc1nc(NC(=O)C(C#N)c2cc(C(F)(F)F)ccn2)oc1C	ZINC000576372130	430105608	/nfs/dbraw/zinc/10/56/08/430105608.db2.gz	FKXLTMBGYZGMON-JTQLQIEISA-N	0	3	324.262	2.951	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](O)COc1ccccc1C#N	ZINC000530232061	430105895	/nfs/dbraw/zinc/10/58/95/430105895.db2.gz	WISDOCZRRACVQK-ZTQAJYAQSA-N	0	3	322.408	2.821	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCOCC1CCC1	ZINC000574918415	430053416	/nfs/dbraw/zinc/05/34/16/430053416.db2.gz	MFSBDGDSUPQAFN-KRWDZBQOSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#Cc1ccc(CC(=O)NC[C@H]2CCN2C2CCCCC2)cc1	ZINC000529718716	430057699	/nfs/dbraw/zinc/05/76/99/430057699.db2.gz	LHZWYDJNOVKURN-GOSISDBHSA-N	0	3	311.429	2.624	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]2C)C1=O	ZINC000640026291	430060294	/nfs/dbraw/zinc/06/02/94/430060294.db2.gz	ZGCOYPJWYVCPBO-VOAKCMCISA-N	0	3	304.356	2.825	20	30		DFEDHN
N#CCc1cccc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1	ZINC000529716724	430060367	/nfs/dbraw/zinc/06/03/67/430060367.db2.gz	DGLGSFPLUAIHTE-GOSISDBHSA-N	0	3	311.429	2.889	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)C[C@@H](CC(F)(F)F)[C@H]2C)C1=O	ZINC000640026289	430061163	/nfs/dbraw/zinc/06/11/63/430061163.db2.gz	ZGCOYPJWYVCPBO-NDBYEHHHSA-N	0	3	304.356	2.825	20	30		DFEDHN
N#CCc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1	ZINC000529724326	430062470	/nfs/dbraw/zinc/06/24/70/430062470.db2.gz	YANDYKMKNKPBLQ-SFHVURJKSA-N	0	3	311.429	2.889	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000634643120	430063010	/nfs/dbraw/zinc/06/30/10/430063010.db2.gz	WMHRYKCLDJORJO-MJGOQNOKSA-N	0	3	319.445	2.595	20	30		DFEDHN
CCC[C@]1(NC(=O)C(C#N)CCc2ccccc2)CCOC1	ZINC000561242791	430083361	/nfs/dbraw/zinc/08/33/61/430083361.db2.gz	QSLJNIHLMQFFFS-AEFFLSMTSA-N	0	3	300.402	2.834	20	30		DFEDHN
CCC[C@@]1(NC(=O)C(C#N)CCc2ccccc2)CCOC1	ZINC000561242802	430083481	/nfs/dbraw/zinc/08/34/81/430083481.db2.gz	QSLJNIHLMQFFFS-SJLPKXTDSA-N	0	3	300.402	2.834	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21	ZINC000532098078	430150897	/nfs/dbraw/zinc/15/08/97/430150897.db2.gz	HFBLYADXWURCBZ-LTIDMASMSA-N	0	3	305.466	2.895	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC12CCOCC2	ZINC000562627834	430157032	/nfs/dbraw/zinc/15/70/32/430157032.db2.gz	VVCXEHORQDCQAB-IRXDYDNUSA-N	0	3	312.413	2.692	20	30		DFEDHN
Cn1cc([C@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)cn1	ZINC000580901428	430161625	/nfs/dbraw/zinc/16/16/25/430161625.db2.gz	UAHYBNVMZRTJRV-OAHLLOKOSA-N	0	3	300.431	2.979	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000538096118	430173063	/nfs/dbraw/zinc/17/30/63/430173063.db2.gz	VMFCXKZYDYAWAG-HNNXBMFYSA-N	0	3	304.438	2.742	20	30		DFEDHN
CC(C)Oc1ccccc1[C@@H](C)NCCC(=O)N(C)CCC#N	ZINC000538126121	430173383	/nfs/dbraw/zinc/17/33/83/430173383.db2.gz	URESVWDRDUYYPX-OAHLLOKOSA-N	0	3	317.433	2.887	20	30		DFEDHN
CC(C)[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCCO1	ZINC000581086122	430177259	/nfs/dbraw/zinc/17/72/59/430177259.db2.gz	RNPNODVPRZYTKV-CQSZACIVSA-N	0	3	321.446	2.695	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)NC(=O)NC2CCCC2)CCCC1(C)C	ZINC000580518174	430133033	/nfs/dbraw/zinc/13/30/33/430133033.db2.gz	YHZURMKSUFGFRY-OAHLLOKOSA-N	0	3	321.465	2.822	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000531509210	430145072	/nfs/dbraw/zinc/14/50/72/430145072.db2.gz	NAXRUDLFGNEUSO-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
C=CCOc1ccccc1CNC1CCN(c2cnccn2)CC1	ZINC000531715578	430148052	/nfs/dbraw/zinc/14/80/52/430148052.db2.gz	MCLUEIQWXNJUKT-UHFFFAOYSA-N	0	3	324.428	2.800	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CC#N)CC1	ZINC000540990402	430183020	/nfs/dbraw/zinc/18/30/20/430183020.db2.gz	KHAKUIHLZZBLQQ-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNC[C@@H](C)C(F)(F)F	ZINC000564075961	430192601	/nfs/dbraw/zinc/19/26/01/430192601.db2.gz	AZGLGGGLFKNOHT-OCCSQVGLSA-N	0	3	317.351	2.943	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC(CC#N)CC1)N1CCCC[C@@H]1C	ZINC000541965402	430197990	/nfs/dbraw/zinc/19/79/90/430197990.db2.gz	UIDAVPHDLHLDAP-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
C=CCOCC(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1	ZINC000565094512	430203092	/nfs/dbraw/zinc/20/30/92/430203092.db2.gz	VQDUPOBNWMKJCD-HNNXBMFYSA-N	0	3	322.474	2.539	20	30		DFEDHN
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000565207058	430204219	/nfs/dbraw/zinc/20/42/19/430204219.db2.gz	XHEAKBRNWSRZRG-ROUUACIJSA-N	0	3	320.477	2.692	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc2c1CCNC2	ZINC000581417847	430205903	/nfs/dbraw/zinc/20/59/03/430205903.db2.gz	QFBIHIQJTCNUHR-UHFFFAOYSA-N	0	3	320.396	2.868	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CCC#N)CC1	ZINC000566147978	430244928	/nfs/dbraw/zinc/24/49/28/430244928.db2.gz	LZSAOBIKUDMJBV-HOTGVXAUSA-N	0	3	320.481	2.975	20	30		DFEDHN
CC(C)[C@@H]1CN(c2cccc(-n3cccn3)c2C#N)CCN1C	ZINC000567179959	430279085	/nfs/dbraw/zinc/27/90/85/430279085.db2.gz	ZGNPCDUXNQCMBC-SFHVURJKSA-N	0	3	309.417	2.520	20	30		DFEDHN
C=CC1CCN(Cc2cnn3cc(Br)cnc23)CC1	ZINC000638071715	430225921	/nfs/dbraw/zinc/22/59/21/430225921.db2.gz	IBBHZVTZMBIOAB-UHFFFAOYSA-N	0	3	321.222	2.890	20	30		DFEDHN
COC1(CCN2CCN(Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000293347649	277464740	/nfs/dbraw/zinc/46/47/40/277464740.db2.gz	DLIBTLGJIJPKES-UHFFFAOYSA-N	0	3	313.445	2.635	20	30		DFEDHN
CCC(C)(C)c1ccc(CNC[C@@H](O)CN(C)CCC#N)cc1	ZINC000567464547	430284433	/nfs/dbraw/zinc/28/44/33/430284433.db2.gz	XWTABBGXMPUXOV-GOSISDBHSA-N	0	3	317.477	2.670	20	30		DFEDHN
C=CCn1cc(CN[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)nn1	ZINC000566096483	430240497	/nfs/dbraw/zinc/24/04/97/430240497.db2.gz	SLUWUZYRDRYRDZ-AWEZNQCLSA-N	0	3	321.428	2.901	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C	ZINC000582286913	430286010	/nfs/dbraw/zinc/28/60/10/430286010.db2.gz	HFLMWPNZXHAHTJ-DYEKYZERSA-N	0	3	303.431	2.953	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2(Nc3ccccc3)CC2)CC1	ZINC000635530638	430298888	/nfs/dbraw/zinc/29/88/88/430298888.db2.gz	GBIHWZFYWGVBFC-UHFFFAOYSA-N	0	3	313.445	2.788	20	30		DFEDHN
C=C(CNCC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccccc1	ZINC000638438896	430343642	/nfs/dbraw/zinc/34/36/42/430343642.db2.gz	MEQMUSJJEUVJRV-UHFFFAOYSA-N	0	3	322.474	2.540	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)Nc1cccc2c1CCNC2	ZINC000568606171	430374496	/nfs/dbraw/zinc/37/44/96/430374496.db2.gz	MQDXDGNHGKKJBD-UHFFFAOYSA-N	0	3	300.406	2.784	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)NCCN1CCCC[C@@H]1C	ZINC000547418243	430393145	/nfs/dbraw/zinc/39/31/45/430393145.db2.gz	PALGLLDTPXQGDQ-ZDUSSCGKSA-N	0	3	316.405	2.563	20	30		DFEDHN
C#CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC1	ZINC000274140758	277678078	/nfs/dbraw/zinc/67/80/78/277678078.db2.gz	QSHYXWFQXDILCZ-HNNXBMFYSA-N	0	3	317.458	2.692	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cn(C)nc1-c1cc2ccccc2o1	ZINC000641768532	430466477	/nfs/dbraw/zinc/46/64/77/430466477.db2.gz	BPPASAGQPUMSRW-INIZCTEOSA-N	0	3	323.396	2.697	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cnc(CCc2ccccc2)s1	ZINC000641767281	430466602	/nfs/dbraw/zinc/46/66/02/430466602.db2.gz	IFTRMWQOEMBDCM-INIZCTEOSA-N	0	3	314.454	2.792	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cccc(OCc2ccccn2)c1	ZINC000641768628	430467568	/nfs/dbraw/zinc/46/75/68/430467568.db2.gz	DPLGMLIETISJTP-KRWDZBQOSA-N	0	3	310.397	2.525	20	30		DFEDHN
N#Cc1ccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1	ZINC000569644878	430474384	/nfs/dbraw/zinc/47/43/84/430474384.db2.gz	PYEKTGHWHHEGAM-UHFFFAOYSA-N	0	3	310.313	2.873	20	30		DFEDHN
Cc1ccccc1C(C)(C)CNCc1cnc2c(C#N)cnn2c1	ZINC000583824430	430433131	/nfs/dbraw/zinc/43/31/31/430433131.db2.gz	IBONUJQVTOWLNQ-UHFFFAOYSA-N	0	3	319.412	2.977	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN[C@@H]2CCC[C@@H]2F)c(OC)c1	ZINC000569837173	430490618	/nfs/dbraw/zinc/49/06/18/430490618.db2.gz	ILRADTFMEXQMKR-HRCADAONSA-N	0	3	323.408	2.644	20	30		DFEDHN
C=CCN(Cc1ccc(OCCN2CCOCC2)cc1)C1CC1	ZINC000639056276	430506821	/nfs/dbraw/zinc/50/68/21/430506821.db2.gz	CDKJGUJQGMWMDJ-UHFFFAOYSA-N	0	3	316.445	2.548	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccn2)cc1	ZINC000570140344	430516974	/nfs/dbraw/zinc/51/69/74/430516974.db2.gz	NCZPFJHKWOKENN-QFBILLFUSA-N	0	3	323.396	2.530	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cnc(C(C)(C)C)nc2)nc(C)n1	ZINC000570481581	430547733	/nfs/dbraw/zinc/54/77/33/430547733.db2.gz	OMOWZPRUWNMNDT-ZDUSSCGKSA-N	0	3	309.373	2.671	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccccc1	ZINC000551894886	430569072	/nfs/dbraw/zinc/56/90/72/430569072.db2.gz	POLVUDBOQTXFOL-CRAIPNDOSA-N	0	3	322.412	2.699	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)COc1ccccc1	ZINC000552970099	430605231	/nfs/dbraw/zinc/60/52/31/430605231.db2.gz	IGDXRMRQLVUXOU-XLIONFOSSA-N	0	3	322.408	2.965	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC3CCC2CC3)cc1	ZINC000571234825	430615207	/nfs/dbraw/zinc/61/52/07/430615207.db2.gz	CIAAIOQNBPWGPQ-SYNTWQANSA-N	0	3	307.397	2.935	20	30		DFEDHN
COc1ccc([C@@H](CN2CCCC2)Nc2cncc(C#N)n2)cc1	ZINC000571311445	430619778	/nfs/dbraw/zinc/61/97/78/430619778.db2.gz	JPXYLFKPIZXUNV-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
C=CCOc1ccc(CN2CCCC[C@@H]2CNC(C)=O)cc1	ZINC000639369121	430622393	/nfs/dbraw/zinc/62/23/93/430622393.db2.gz	CCFMKGNXCYATQE-QGZVFWFLSA-N	0	3	302.418	2.742	20	30		DFEDHN
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)c(Cl)c1	ZINC000553774510	430622743	/nfs/dbraw/zinc/62/27/43/430622743.db2.gz	KHPGFOSQXJQOKB-MLGOLLRUSA-N	0	3	317.820	2.910	20	30		DFEDHN
CC[C@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000554487856	430638566	/nfs/dbraw/zinc/63/85/66/430638566.db2.gz	VOPAWLHUJQFEAT-VQIMIIECSA-N	0	3	310.445	2.856	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000639461723	430645805	/nfs/dbraw/zinc/64/58/05/430645805.db2.gz	VAKGFACPSGOTDK-RBUKOAKNSA-N	0	3	303.446	2.629	20	30		DFEDHN
CC(C)[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000571981009	430663784	/nfs/dbraw/zinc/66/37/84/430663784.db2.gz	QCTZGXBEFHTCRP-DLBZAZTESA-N	0	3	323.868	2.833	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@H](O)C[C@](C)(O)C1CC1	ZINC000639618641	430683218	/nfs/dbraw/zinc/68/32/18/430683218.db2.gz	QWLHNQDFTAFILJ-MOPGFXCFSA-N	0	3	303.446	2.977	20	30		DFEDHN
C[C@H]1CCN(CCCSCC#N)C[C@@H]1C(=O)OC(C)(C)C	ZINC000572360243	430683932	/nfs/dbraw/zinc/68/39/32/430683932.db2.gz	NWVBTZIRDVWLSW-KBPBESRZSA-N	0	3	312.479	2.933	20	30		DFEDHN
CS[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1	ZINC000275522481	278167619	/nfs/dbraw/zinc/16/76/19/278167619.db2.gz	WWEBKDAZMJEIKW-GJZGRUSLSA-N	0	3	323.412	2.852	20	30		DFEDHN
C=CCOc1ccccc1CNC[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000657753517	430725486	/nfs/dbraw/zinc/72/54/86/430725486.db2.gz	CZLKHOIYKUYJHN-OAHLLOKOSA-N	0	3	316.445	2.988	20	30		DFEDHN
C=CCCCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1	ZINC000664786340	430745904	/nfs/dbraw/zinc/74/59/04/430745904.db2.gz	WMTQXZBBEZGOSK-SFHVURJKSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc3n2[C@@H](C)CCC3)CC1	ZINC000651273461	430754398	/nfs/dbraw/zinc/75/43/98/430754398.db2.gz	NOKQXZMLQRTPKH-AWEZNQCLSA-N	0	3	316.449	2.551	20	30		DFEDHN
C=CCCNC(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000661569985	430759533	/nfs/dbraw/zinc/75/95/33/430759533.db2.gz	GXUWPDAVVWOBBF-UHFFFAOYSA-N	0	3	311.495	2.613	20	30		DFEDHN
C=CCCCCCNC(=O)N1CCN(c2ccncc2)CC1	ZINC000654664668	430771308	/nfs/dbraw/zinc/77/13/08/430771308.db2.gz	KOAMIUIACSPOFT-UHFFFAOYSA-N	0	3	302.422	2.660	20	30		DFEDHN
C=C(C)Cn1c(CC)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000651541041	430818306	/nfs/dbraw/zinc/81/83/06/430818306.db2.gz	WMJSZILFKQWMGZ-BZUAXINKSA-N	0	3	317.481	2.583	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnc2c(c1)CNCC2	ZINC000659019925	430941971	/nfs/dbraw/zinc/94/19/71/430941971.db2.gz	ITGWFGRIAHBEOX-CXAGYDPISA-N	0	3	314.433	2.984	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1F	ZINC000662081004	430952905	/nfs/dbraw/zinc/95/29/05/430952905.db2.gz	TVJAVDQCBKIDSC-IYBDPMFKSA-N	0	3	302.393	2.967	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CCC)[C@H]2CCN(C)C2)cc1	ZINC000648994703	430961514	/nfs/dbraw/zinc/96/15/14/430961514.db2.gz	BCOJKRBHTPUTGN-KRWDZBQOSA-N	0	3	316.445	2.737	20	30		DFEDHN
C=C(C)CN(CC)Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000649482004	431113986	/nfs/dbraw/zinc/11/39/86/431113986.db2.gz	ZQCGVRSFYYGGRO-UHFFFAOYSA-N	0	3	308.447	2.525	20	30		DFEDHN
C=CCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000665945466	431072803	/nfs/dbraw/zinc/07/28/03/431072803.db2.gz	FYFAFBYWBLWHLE-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N(C)CCN1CCCCC1	ZINC000652623515	431102295	/nfs/dbraw/zinc/10/22/95/431102295.db2.gz	KITLEEHUTQSARV-UHFFFAOYSA-N	0	3	305.470	2.900	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H](C)OC	ZINC000291025156	279242248	/nfs/dbraw/zinc/24/22/48/279242248.db2.gz	DBUDYRVZZOXOBW-AWEZNQCLSA-N	0	3	312.417	2.816	20	30		DFEDHN
Cn1cc(CN2CCC3(CC2)OCc2ccccc23)cc1C#N	ZINC000375450954	279335241	/nfs/dbraw/zinc/33/52/41/279335241.db2.gz	IGSMATUTWPMVER-UHFFFAOYSA-N	0	3	307.397	2.918	20	30		DFEDHN
C=CCCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000649750239	431272947	/nfs/dbraw/zinc/27/29/47/431272947.db2.gz	IKXUHOLREZOKFG-OALUTQOASA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCNC2(CCCCC2)C1	ZINC000656364583	431364081	/nfs/dbraw/zinc/36/40/81/431364081.db2.gz	YSULZJAEXNQYGZ-UHFFFAOYSA-N	0	3	314.429	3.000	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21	ZINC000646941167	431425381	/nfs/dbraw/zinc/42/53/81/431425381.db2.gz	VEILOXFWOCSXJK-UKRRQHHQSA-N	0	3	302.443	2.741	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCc2ccco2)CC1	ZINC000660597984	431510249	/nfs/dbraw/zinc/51/02/49/431510249.db2.gz	UXBFBIDKQSQDMB-UHFFFAOYSA-N	0	3	305.422	2.552	20	30		DFEDHN
C=CCCC(C)(C)NC(=O)NC1CCN(CCCOC)CC1	ZINC000663937620	431599239	/nfs/dbraw/zinc/59/92/39/431599239.db2.gz	MJHNGTSCSJFLSJ-UHFFFAOYSA-N	0	3	311.470	2.531	20	30		DFEDHN
C=CCCOCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000653969780	431601600	/nfs/dbraw/zinc/60/16/00/431601600.db2.gz	ANKIHZMZVJXSFH-QGZVFWFLSA-N	0	3	316.445	2.560	20	30		DFEDHN
C=CCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000661043716	431709974	/nfs/dbraw/zinc/70/99/74/431709974.db2.gz	FALPJVDOXBMHGK-GOSISDBHSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCCn1cc(CNCCC2CC(OC(C)(C)C)C2)nn1	ZINC000657449224	431758917	/nfs/dbraw/zinc/75/89/17/431758917.db2.gz	RHJUAFOXNYRESA-UHFFFAOYSA-N	0	3	306.454	2.928	20	30		DFEDHN
C=CCN(CCC(=O)N1CCc2sccc2C1)[C@@H](C)COC	ZINC000661244938	431794087	/nfs/dbraw/zinc/79/40/87/431794087.db2.gz	XULPVZFCMMCASZ-AWEZNQCLSA-N	0	3	322.474	2.546	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cnc2ccnn2c1)C(C)C	ZINC000648016046	431781957	/nfs/dbraw/zinc/78/19/57/431781957.db2.gz	YVDBOHUUOSRVAK-KRWDZBQOSA-N	0	3	313.449	2.518	20	30		DFEDHN
C=CCOCCCNCc1c(C)nn(-c2ccccn2)c1C	ZINC000657659094	431833587	/nfs/dbraw/zinc/83/35/87/431833587.db2.gz	OJHKYBLGVAVAIR-UHFFFAOYSA-N	0	3	300.406	2.566	20	30		DFEDHN
C[C@H](CN1CCCC1=O)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360654969	289558581	/nfs/dbraw/zinc/55/85/81/289558581.db2.gz	BAKKVVOXMSLLHZ-KDOFPFPSSA-N	0	3	311.429	2.926	20	30		DFEDHN
CN1C(=O)C[C@@H](NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000120023245	289829078	/nfs/dbraw/zinc/82/90/78/289829078.db2.gz	KKMWOQYVHJZFJU-IEBWSBKVSA-N	0	3	323.371	2.759	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]2CN2CCCC2)c1	ZINC000285232989	294917059	/nfs/dbraw/zinc/91/70/59/294917059.db2.gz	QQPXONNUBKIXEU-AWEZNQCLSA-N	0	3	317.820	2.912	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c(Cl)c2)CCN1C	ZINC000157555717	295350239	/nfs/dbraw/zinc/35/02/39/295350239.db2.gz	MYZPGFQZSFRSNA-SMDDNHRTSA-N	0	3	305.809	2.766	20	30		DFEDHN
Cn1ccnc1CNC1CCC(Oc2ccccc2C#N)CC1	ZINC000518977187	300439214	/nfs/dbraw/zinc/43/92/14/300439214.db2.gz	ZFNXXQFIUBBRCQ-UHFFFAOYSA-N	0	3	310.401	2.772	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)CCN1C	ZINC000537588140	301304206	/nfs/dbraw/zinc/30/42/06/301304206.db2.gz	XZPARVQOCCPFOW-BXUZGUMPSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C#N)c(F)c1	ZINC000538507853	301322635	/nfs/dbraw/zinc/32/26/35/301322635.db2.gz	HWRRMIBFAGOBQL-MFKMUULPSA-N	0	3	315.314	2.985	20	30		DFEDHN
N#Cc1ccc(CN(CCOC[C@@H]2CCCO2)C2CC2)cc1	ZINC000541386197	301385844	/nfs/dbraw/zinc/38/58/44/301385844.db2.gz	LPRCDIPZWFASBK-SFHVURJKSA-N	0	3	300.402	2.718	20	30		DFEDHN
N#Cc1csc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)c1	ZINC000547256886	301522709	/nfs/dbraw/zinc/52/27/09/301522709.db2.gz	ALZHTHBARJNVAW-QWRGUYRKSA-N	0	3	313.386	2.525	20	30		DFEDHN
N#Cc1ccc(CNC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1	ZINC000548008585	301558870	/nfs/dbraw/zinc/55/88/70/301558870.db2.gz	WZRLGSIGZSIILO-CVEARBPZSA-N	0	3	324.384	2.829	20	30		DFEDHN
Cc1ccc([C@@H](CNc2ccncc2C#N)N2CCCC2)cc1	ZINC000548152833	301570086	/nfs/dbraw/zinc/57/00/86/301570086.db2.gz	IBYRUQNKFJTKJG-LJQANCHMSA-N	0	3	306.413	2.933	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1F	ZINC000549696005	301639332	/nfs/dbraw/zinc/63/93/32/301639332.db2.gz	FTOPFEREHCSOMC-MRXNPFEDSA-N	0	3	314.360	2.535	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)c(C)c1	ZINC000554831288	301754831	/nfs/dbraw/zinc/75/48/31/301754831.db2.gz	HCLHULFSLUGRPL-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H](N2CCCC2)C1	ZINC000556842710	301815629	/nfs/dbraw/zinc/81/56/29/301815629.db2.gz	OEKZUMYVQWNFFP-LBPRGKRZSA-N	0	3	310.323	2.647	20	30		DFEDHN
CC(C)(C)CCN1CCN(C(=O)Nc2cccc(C#N)n2)CC1	ZINC000563098439	302037073	/nfs/dbraw/zinc/03/70/73/302037073.db2.gz	IWLPQILCQJAGEA-UHFFFAOYSA-N	0	3	315.421	2.539	20	30		DFEDHN
C[C@H]1CCN(c2ccc(C#N)c(N)n2)CCN1Cc1ccccc1	ZINC000563976817	302112959	/nfs/dbraw/zinc/11/29/59/302112959.db2.gz	UVLDWAPUIDWQPJ-HNNXBMFYSA-N	0	3	321.428	2.636	20	30		DFEDHN
Cc1ccc([C@H]2CCCN2C[C@H]2CNc3c(C#N)cnn3C2)o1	ZINC000564452371	302135913	/nfs/dbraw/zinc/13/59/13/302135913.db2.gz	BIKNYICLFNNUSR-UKRRQHHQSA-N	0	3	311.389	2.535	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CC[C@@H](c2cccnc2)C1	ZINC000564921140	302174050	/nfs/dbraw/zinc/17/40/50/302174050.db2.gz	UVIGKEXRENZELX-QGZVFWFLSA-N	0	3	323.396	2.830	20	30		DFEDHN
CCS[C@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1	ZINC000564986246	302179780	/nfs/dbraw/zinc/17/97/80/302179780.db2.gz	PIQGEHLNPBAIAU-CABCVRRESA-N	0	3	315.446	2.755	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1N1CCCC1	ZINC000565958671	302251157	/nfs/dbraw/zinc/25/11/57/302251157.db2.gz	CGISLUIQODPWMR-HUUCEWRRSA-N	0	3	307.488	2.631	20	30		DFEDHN
N#Cc1cnn2cc(CNC[C@@H]3C[C@H]3C3CCCCC3)cnc12	ZINC000566243637	302269469	/nfs/dbraw/zinc/26/94/69/302269469.db2.gz	YULIUAJKZXJBIX-RDJZCZTQSA-N	0	3	309.417	2.907	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCc3ccccc3[C@H]2CN)c1	ZINC000567866409	302394762	/nfs/dbraw/zinc/39/47/62/302394762.db2.gz	VYLOMJQHWOKOHO-GOSISDBHSA-N	0	3	320.396	2.957	20	30		DFEDHN
C[C@@]1(F)CNCCN(c2c(C#N)cnc3c(Cl)cccc32)C1	ZINC000567880876	302395808	/nfs/dbraw/zinc/39/58/08/302395808.db2.gz	OUBHQFWRSANSEG-MRXNPFEDSA-N	0	3	318.783	2.898	20	30		DFEDHN
CCc1nncn1CCN[C@@H]1CCCCc2cc(C#N)ccc21	ZINC000572185829	302647885	/nfs/dbraw/zinc/64/78/85/302647885.db2.gz	AIHFRFQESANGHG-QGZVFWFLSA-N	0	3	309.417	2.769	20	30		DFEDHN
CN(C)CCN(Cc1ccccn1)Cc1cccc(F)c1C#N	ZINC000572659681	302674972	/nfs/dbraw/zinc/67/49/72/302674972.db2.gz	MWNYEWDDMSHJBQ-UHFFFAOYSA-N	0	3	312.392	2.656	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ncnc3c2ncn3C2CC2)CC1	ZINC000292622684	335092519	/nfs/dbraw/zinc/09/25/19/335092519.db2.gz	DMLLIKHGIPCMKW-UHFFFAOYSA-N	0	3	312.421	2.614	20	30		DFEDHN
CC(C)CN1CCO[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1	ZINC000181411991	316058881	/nfs/dbraw/zinc/05/88/81/316058881.db2.gz	YWZHXPCWPREPDF-MAUKXSAKSA-N	0	3	301.434	2.566	20	30		DFEDHN
CC(C)(C)CCCNCCS(=O)(=O)c1cccc(C#N)c1	ZINC000313485305	316239072	/nfs/dbraw/zinc/23/90/72/316239072.db2.gz	NKXXQRCMYLKXBA-UHFFFAOYSA-N	0	3	308.447	2.748	20	30		DFEDHN
N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@H](c2ccccc2)C1	ZINC000324447991	316261377	/nfs/dbraw/zinc/26/13/77/316261377.db2.gz	UWZWFDYFOXTWPU-MOPGFXCFSA-N	0	3	322.408	2.787	20	30		DFEDHN
N#Cc1ccc(S(=O)(=O)CCN[C@@H](C2CC2)C2CCC2)cc1	ZINC000325067449	316262471	/nfs/dbraw/zinc/26/24/71/316262471.db2.gz	ZPUVICJMLWCVCX-QGZVFWFLSA-N	0	3	318.442	2.500	20	30		DFEDHN
CN(C)CCOc1ccccc1-c1noc(-c2ccc(C#N)o2)n1	ZINC000350515479	316395386	/nfs/dbraw/zinc/39/53/86/316395386.db2.gz	VVCQBIYXOSUATA-UHFFFAOYSA-N	0	3	324.340	2.809	20	30		DFEDHN
CN(C)CCN(C(=O)/C=C\c1cccc(C#N)c1)C1CCCC1	ZINC000491874430	317602623	/nfs/dbraw/zinc/60/26/23/317602623.db2.gz	VPEWBGJSKCKDHG-KHPPLWFESA-N	0	3	311.429	2.904	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H]2NC(=O)C2(C)C)CC1	ZINC000562442896	317901673	/nfs/dbraw/zinc/90/16/73/317901673.db2.gz	AIEZGLXUMDUBQT-SUMWQHHRSA-N	0	3	311.429	2.856	20	30		DFEDHN
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000565557613	317925287	/nfs/dbraw/zinc/92/52/87/317925287.db2.gz	RRXIDTRPPAOYOC-LRDDRELGSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@H](c1ccco1)N(C[C@H]1CNc2c(C#N)cnn2C1)C1CC1	ZINC000572763826	318003216	/nfs/dbraw/zinc/00/32/16/318003216.db2.gz	CNTJSWZAVUNNNI-CHWSQXEVSA-N	0	3	311.389	2.615	20	30		DFEDHN
C[C@H]1C[C@H](N(C)c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574984106	318054767	/nfs/dbraw/zinc/05/47/67/318054767.db2.gz	FLPGQLMIUFJVEQ-MAUKXSAKSA-N	0	3	321.428	2.838	20	30		DFEDHN
Cc1ccccc1[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000576346175	318119990	/nfs/dbraw/zinc/11/99/90/318119990.db2.gz	IWFQESKVQVOAFM-INIZCTEOSA-N	0	3	317.396	2.899	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000576358704	318121202	/nfs/dbraw/zinc/12/12/02/318121202.db2.gz	QGFZZUCIYPRVFM-AWEZNQCLSA-N	0	3	305.809	2.766	20	30		DFEDHN
C[C@]12CCN(CCC(=O)Nc3cccc(C#N)c3)C[C@H]1C2(F)F	ZINC000576531835	318133179	/nfs/dbraw/zinc/13/31/79/318133179.db2.gz	PMPCOLKXXMOFHO-ZBFHGGJFSA-N	0	3	319.355	2.864	20	30		DFEDHN
C[C@@]12CCN(CCC(=O)Nc3cccc(C#N)c3)C[C@@H]1C2(F)F	ZINC000576531833	318133280	/nfs/dbraw/zinc/13/32/80/318133280.db2.gz	PMPCOLKXXMOFHO-GOEBONIOSA-N	0	3	319.355	2.864	20	30		DFEDHN
Cc1cccc(C)c1CCNCc1cnc2c(C#N)cnn2c1	ZINC000576988725	318164004	/nfs/dbraw/zinc/16/40/04/318164004.db2.gz	PMIPHECCXLANBY-UHFFFAOYSA-N	0	3	305.385	2.550	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000577188527	318176973	/nfs/dbraw/zinc/17/69/73/318176973.db2.gz	FXSMTZMZMKLGHX-OAHLLOKOSA-N	0	3	309.413	2.516	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@@H]1n1cccn1	ZINC000580102804	318376348	/nfs/dbraw/zinc/37/63/48/318376348.db2.gz	NKJCXLNWYRRSBS-KSZLIROESA-N	0	3	310.401	2.572	20	30		DFEDHN
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CCCCN2C2CC2)c1	ZINC000580166341	318380576	/nfs/dbraw/zinc/38/05/76/318380576.db2.gz	PGMZBMQITNPAAO-CEXWTWQISA-N	0	3	323.440	2.795	20	30		DFEDHN
CC1(C)CCC[C@@H]1CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000389149687	323334739	/nfs/dbraw/zinc/33/47/39/323334739.db2.gz	UQOKUMXRXODQGF-OAHLLOKOSA-N	0	3	320.458	2.748	20	30		DFEDHN
C[C@H](CCC1CC1)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000398045133	323356429	/nfs/dbraw/zinc/35/64/29/323356429.db2.gz	ARYMPSBVSKITNW-CYBMUJFWSA-N	0	3	306.431	2.500	20	30		DFEDHN
Cc1cccc2c1CC[C@@H]2NC[C@@H](O)COc1ccc(C#N)cc1	ZINC000582176396	323628463	/nfs/dbraw/zinc/62/84/63/323628463.db2.gz	QYRFLBLQFCAQHC-UZLBHIALSA-N	0	3	322.408	2.884	20	30		DFEDHN
CCO[C@@H]1COC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000583854170	323923847	/nfs/dbraw/zinc/92/38/47/323923847.db2.gz	MNLDBUHFVMGFTL-RCCFBDPRSA-N	0	3	300.402	2.719	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCCCC)nc2)CC1	ZINC000187277947	331506342	/nfs/dbraw/zinc/50/63/42/331506342.db2.gz	RAPVQCTWEQUKAX-UHFFFAOYSA-N	0	3	315.417	2.544	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1	ZINC000298853347	331670241	/nfs/dbraw/zinc/67/02/41/331670241.db2.gz	DPCNELHDSHFFJK-GJZGRUSLSA-N	0	3	302.418	2.935	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1	ZINC000298853349	331670328	/nfs/dbraw/zinc/67/03/28/331670328.db2.gz	DPCNELHDSHFFJK-HUUCEWRRSA-N	0	3	302.418	2.935	20	30		DFEDHN
Cc1cscc1CNC[C@H](O)COc1ccc(CC#N)cc1	ZINC000518365338	332018377	/nfs/dbraw/zinc/01/83/77/332018377.db2.gz	IDRTYJUFJRTBHT-INIZCTEOSA-N	0	3	316.426	2.652	20	30		DFEDHN
CCCN(CC#N)Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000092398338	332125713	/nfs/dbraw/zinc/12/57/13/332125713.db2.gz	IXSNOOSKQJARSD-UHFFFAOYSA-N	0	3	314.477	2.953	20	30		DFEDHN
CC[C@](C)(C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000559369654	332135810	/nfs/dbraw/zinc/13/58/10/332135810.db2.gz	HHMJQPNNAZTPNJ-JTNHKYCSSA-N	0	3	319.371	2.704	20	30		DFEDHN
C#CCCCCNC(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000151143206	332200953	/nfs/dbraw/zinc/20/09/53/332200953.db2.gz	QRVDSXGFVWZGHU-GOSISDBHSA-N	0	3	313.445	2.754	20	30		DFEDHN
C=CCOc1ccc(CNCCc2nccnc2C)cc1OC	ZINC000292882180	335097321	/nfs/dbraw/zinc/09/73/21/335097321.db2.gz	CCDKELURNSUKFI-UHFFFAOYSA-N	0	3	313.401	2.691	20	30		DFEDHN
C=CCCCS(=O)(=O)NCc1ccccc1CN1CCCC1	ZINC000292945767	335098223	/nfs/dbraw/zinc/09/82/23/335098223.db2.gz	JNKGCXGVJZWRJD-UHFFFAOYSA-N	0	3	322.474	2.668	20	30		DFEDHN
CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C1(C#N)CCCC1	ZINC000370916198	332300002	/nfs/dbraw/zinc/30/00/02/332300002.db2.gz	GNSGEINWJDNRPR-IAGOWNOFSA-N	0	3	311.429	2.804	20	30		DFEDHN
CC[C@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1	ZINC000560618734	332370673	/nfs/dbraw/zinc/37/06/73/332370673.db2.gz	GTXGIIKJEVUVLN-KRWDZBQOSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCC(F)(F)C(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000293371109	335107634	/nfs/dbraw/zinc/10/76/34/335107634.db2.gz	CNRAHDAWDDMTQY-UHFFFAOYSA-N	0	3	323.387	2.978	20	30		DFEDHN
N#CC1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1	ZINC000195334971	335106143	/nfs/dbraw/zinc/10/61/43/335106143.db2.gz	MKRGNBCDTSNLAW-MJGOQNOKSA-N	0	3	314.429	2.677	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000293507530	335111195	/nfs/dbraw/zinc/11/11/95/335111195.db2.gz	HUGPHGLPCAFAQB-HNNXBMFYSA-N	0	3	323.396	2.664	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)N[C@@H]2CCn3ccnc3C2)cc1	ZINC000570474588	332761186	/nfs/dbraw/zinc/76/11/86/332761186.db2.gz	ARBIHDLCZSHLNX-NVXWUHKLSA-N	0	3	310.401	2.841	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@H](C)c1sc(C(C)C)nc1C	ZINC000293937635	335115942	/nfs/dbraw/zinc/11/59/42/335115942.db2.gz	ZLFXNBITYBXILK-CYBMUJFWSA-N	0	3	307.463	2.707	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@@H](O)CC2)ccc1OC	ZINC000293991897	335116441	/nfs/dbraw/zinc/11/64/41/335116441.db2.gz	LRUNSIFQOFNLND-MRXNPFEDSA-N	0	3	305.418	2.997	20	30		DFEDHN
C#Cc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1	ZINC000293835453	335117689	/nfs/dbraw/zinc/11/76/89/335117689.db2.gz	GTKJUBGEGBOASB-UHFFFAOYSA-N	0	3	306.409	2.794	20	30		DFEDHN
C=CCN(CC=C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000185180535	335118333	/nfs/dbraw/zinc/11/83/33/335118333.db2.gz	ZUVDIROXRQIUNE-UHFFFAOYSA-N	0	3	307.325	2.737	20	30		DFEDHN
N#CCCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000172202836	333059586	/nfs/dbraw/zinc/05/95/86/333059586.db2.gz	FPEGSOGMNNRTFG-KRWDZBQOSA-N	0	3	314.433	2.644	20	30		DFEDHN
Cc1ccc(NC(=O)NCCCCC#N)c(OCCN(C)C)c1	ZINC000172501046	333063628	/nfs/dbraw/zinc/06/36/28/333063628.db2.gz	CIFODMYQZRFTKL-UHFFFAOYSA-N	0	3	318.421	2.751	20	30		DFEDHN
N#CCCCN1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000497147015	333081434	/nfs/dbraw/zinc/08/14/34/333081434.db2.gz	JPQHGMQUXVQIAL-UHFFFAOYSA-N	0	3	315.417	2.929	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)C2CCN(C(C)C)CC2)cc1	ZINC000294090144	335120315	/nfs/dbraw/zinc/12/03/15/335120315.db2.gz	CWVVKTLJLSDNHE-UHFFFAOYSA-N	0	3	312.457	2.932	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1nc(C)oc1C)C(C)C	ZINC000294540152	335124576	/nfs/dbraw/zinc/12/45/76/335124576.db2.gz	AGSNVWBAJQGXPI-HNNXBMFYSA-N	0	3	305.422	2.720	20	30		DFEDHN
CC1CCN(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000179908772	333156250	/nfs/dbraw/zinc/15/62/50/333156250.db2.gz	KHLIHTJXZMUONG-UHFFFAOYSA-N	0	3	311.429	2.703	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1	ZINC000294797851	335127555	/nfs/dbraw/zinc/12/75/55/335127555.db2.gz	BOFWVPNRMABCRB-HOCLYGCPSA-N	0	3	314.429	2.535	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CN1C1CC1	ZINC000180529853	333162714	/nfs/dbraw/zinc/16/27/14/333162714.db2.gz	SVISJNDGDQERLG-BBRMVZONSA-N	0	3	309.413	2.597	20	30		DFEDHN
C=CCC(F)(F)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000294599780	335126175	/nfs/dbraw/zinc/12/61/75/335126175.db2.gz	PLALBLULIILFSQ-HNNXBMFYSA-N	0	3	323.387	2.573	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)[C@@H](C)c1ccccc1	ZINC000181542653	333169903	/nfs/dbraw/zinc/16/99/03/333169903.db2.gz	VOZUFZSXBZADFR-RVKKMQEKSA-N	0	3	301.434	2.823	20	30		DFEDHN
C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)c1ccccc1	ZINC000181773099	333172327	/nfs/dbraw/zinc/17/23/27/333172327.db2.gz	NEPVTYZPYGDEIS-IFXJQAMLSA-N	0	3	313.445	2.751	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000182110178	333175998	/nfs/dbraw/zinc/17/59/98/333175998.db2.gz	SJCXTMLJMVUZTG-AEFFLSMTSA-N	0	3	323.440	2.798	20	30		DFEDHN
CC#CCCN1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1	ZINC000497159053	333183605	/nfs/dbraw/zinc/18/36/05/333183605.db2.gz	IKJIFHCSDHHSLY-UHFFFAOYSA-N	0	3	324.465	2.748	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C)c1C	ZINC000183715661	333187258	/nfs/dbraw/zinc/18/72/58/333187258.db2.gz	GRFDQPNZSOICDU-BBRMVZONSA-N	0	3	301.434	2.962	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000363879340	333189623	/nfs/dbraw/zinc/18/96/23/333189623.db2.gz	MDRNVUJGBKYSDL-PMPSAXMXSA-N	0	3	324.465	2.787	20	30		DFEDHN
C=CCn1c(C2CCCC2)nnc1N1CCN(C)[C@H](C(C)C)C1	ZINC000582074483	333201110	/nfs/dbraw/zinc/20/11/10/333201110.db2.gz	ASGRHNHRRKWDGH-INIZCTEOSA-N	0	3	317.481	2.898	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1	ZINC000185761970	333213479	/nfs/dbraw/zinc/21/34/79/333213479.db2.gz	SOLWQDPLDRAYAX-UHOSZYNNSA-N	0	3	313.445	2.732	20	30		DFEDHN
Cc1ccc([C@H](CN[C@@H]2CCC[C@H](C#N)C2)N2CCOCC2)o1	ZINC000185762845	333213796	/nfs/dbraw/zinc/21/37/96/333213796.db2.gz	ZLNFCOJAIXRCEN-BBWFWOEESA-N	0	3	317.433	2.633	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1	ZINC000185814289	333214570	/nfs/dbraw/zinc/21/45/70/333214570.db2.gz	PBYCFLZSCHSETN-QAPCUYQASA-N	0	3	311.429	2.981	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@H](C#N)C1	ZINC000185865934	333215386	/nfs/dbraw/zinc/21/53/86/333215386.db2.gz	QSTIVDBLTBHDMN-ARFHVFGLSA-N	0	3	320.458	2.911	20	30		DFEDHN
C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000185880828	333215629	/nfs/dbraw/zinc/21/56/29/333215629.db2.gz	FQLHWMLKUQXEBZ-IPYPFGDCSA-N	0	3	306.431	2.823	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC(Cn2cncn2)CC1	ZINC000186233511	333217737	/nfs/dbraw/zinc/21/77/37/333217737.db2.gz	JGDDCNMHRDPFCM-UHFFFAOYSA-N	0	3	323.444	2.991	20	30		DFEDHN
C[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000497270344	333229648	/nfs/dbraw/zinc/22/96/48/333229648.db2.gz	UFHXRPCROAHXJM-KFWWJZLASA-N	0	3	320.437	2.808	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H](CC(C)C)CN(C)C	ZINC000497397403	333246757	/nfs/dbraw/zinc/24/67/57/333246757.db2.gz	PLCSNGIFUNAGRR-MRXNPFEDSA-N	0	3	321.465	2.996	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](c1ccccc1)c1ccc(F)cn1	ZINC000295011108	335129773	/nfs/dbraw/zinc/12/97/73/335129773.db2.gz	MSLMRNYCIMAHQU-IBGZPJMESA-N	0	3	311.404	2.855	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1OCCCC#N	ZINC000189338393	333257162	/nfs/dbraw/zinc/25/71/62/333257162.db2.gz	LJWSRLOOQGQMOV-SJORKVTESA-N	0	3	318.417	2.627	20	30		DFEDHN
COc1ccc(CN(C)CC2CC(O)C2)cc1OCCCC#N	ZINC000191160790	333278151	/nfs/dbraw/zinc/27/81/51/333278151.db2.gz	UHCQUWBRQDBSTP-UHFFFAOYSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1OC	ZINC000295103895	335132134	/nfs/dbraw/zinc/13/21/34/335132134.db2.gz	TZZDHEDSCYNZJR-SWLSCSKDSA-N	0	3	315.360	2.754	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H]2CCCN(C(C)C)C2)cc1	ZINC000295331046	335133198	/nfs/dbraw/zinc/13/31/98/335133198.db2.gz	MJGGWEUWDUNWOG-KRWDZBQOSA-N	0	3	316.445	2.783	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccsc2)C[C@H]1C	ZINC000364625745	333325378	/nfs/dbraw/zinc/32/53/78/333325378.db2.gz	JYTKLVMKCZBZGR-UMVBOHGHSA-N	0	3	305.447	2.686	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)Cc2ccc(OCC)cc2)CC1	ZINC000111258265	333328332	/nfs/dbraw/zinc/32/83/32/333328332.db2.gz	XMRSHHAHSPVLQH-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1	ZINC000111256821	333328356	/nfs/dbraw/zinc/32/83/56/333328356.db2.gz	PWUBEJBPHRJIOA-CQSZACIVSA-N	0	3	304.409	2.771	20	30		DFEDHN
CC#CCCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000364711017	333329645	/nfs/dbraw/zinc/32/96/45/333329645.db2.gz	ATYIRUOLPVANDV-HKUYNNGSSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=CC1CCN(C(=O)NCc2cccc(CN(C)C)c2)CC1	ZINC000111453149	333332552	/nfs/dbraw/zinc/33/25/52/333332552.db2.gz	HVWITNRTSMRONN-UHFFFAOYSA-N	0	3	301.434	2.856	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@H](Cn3ccnn3)C2)c1	ZINC000119231873	333342937	/nfs/dbraw/zinc/34/29/37/333342937.db2.gz	FQSMAWGZHNRSPS-INIZCTEOSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1	ZINC000119276766	333343004	/nfs/dbraw/zinc/34/30/04/333343004.db2.gz	MYSQIDUBUWYENL-UHFFFAOYSA-N	0	3	312.335	2.874	20	30		DFEDHN
C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000119340031	333343126	/nfs/dbraw/zinc/34/31/26/333343126.db2.gz	UVRANXMESACQTA-NVXWUHKLSA-N	0	3	301.434	2.915	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(CC#N)cc1)[C@H](N)c1ccccc1	ZINC000563169161	333425027	/nfs/dbraw/zinc/42/50/27/333425027.db2.gz	GEKUOCZKBGNXNE-KSSFIOAISA-N	0	3	307.397	2.705	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1	ZINC000296018537	335139613	/nfs/dbraw/zinc/13/96/13/335139613.db2.gz	YXQICBYYWXIGMO-NVXWUHKLSA-N	0	3	314.429	2.643	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1	ZINC000163057335	333425477	/nfs/dbraw/zinc/42/54/77/333425477.db2.gz	WLIAOBOUHHJEKH-QGZVFWFLSA-N	0	3	321.509	2.750	20	30		DFEDHN
C[C@H]1C[C@@]1(NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000337432814	333449182	/nfs/dbraw/zinc/44/91/82/333449182.db2.gz	GSPSRELJGGKGFB-GUYCJALGSA-N	0	3	319.836	2.927	20	30		DFEDHN
C[C@@H]1C[C@@]1(NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000337432812	333449218	/nfs/dbraw/zinc/44/92/18/333449218.db2.gz	GSPSRELJGGKGFB-DYVFJYSZSA-N	0	3	319.836	2.927	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CCN(C2CCCC2)CC1	ZINC000337824280	333460767	/nfs/dbraw/zinc/46/07/67/333460767.db2.gz	UNZICYPGTICZDX-UHFFFAOYSA-N	0	3	317.481	2.727	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)CC1	ZINC000338804402	333498712	/nfs/dbraw/zinc/49/87/12/333498712.db2.gz	PZTTZDSRGSAHSK-UHFFFAOYSA-N	0	3	317.481	2.900	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1	ZINC000338859648	333500127	/nfs/dbraw/zinc/50/01/27/333500127.db2.gz	JZUAEGKNESSYDF-UHFFFAOYSA-N	0	3	305.470	2.756	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)c(CC)o1	ZINC000338956119	333503379	/nfs/dbraw/zinc/50/33/79/333503379.db2.gz	JFXXWMPHRLBGLH-MLGOLLRUSA-N	0	3	307.390	2.699	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(CC)o1	ZINC000338956118	333503385	/nfs/dbraw/zinc/50/33/85/333503385.db2.gz	JFXXWMPHRLBGLH-LRDDRELGSA-N	0	3	307.390	2.699	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCSCC(C)C)CC1	ZINC000339487089	333527093	/nfs/dbraw/zinc/52/70/93/333527093.db2.gz	ILRCYWCQOZXACF-UHFFFAOYSA-N	0	3	313.511	2.715	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(CCC)CCc1cccs1	ZINC000296725327	335147762	/nfs/dbraw/zinc/14/77/62/335147762.db2.gz	CMQFAGHKZGFDSS-UHFFFAOYSA-N	0	3	321.490	2.667	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]1c1cccs1	ZINC000296914706	335149839	/nfs/dbraw/zinc/14/98/39/335149839.db2.gz	NYDQZNODDMLQDG-OAHLLOKOSA-N	0	3	319.474	2.796	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2cccc(Br)c2)C1	ZINC000442827318	335156231	/nfs/dbraw/zinc/15/62/31/335156231.db2.gz	KBCZTHMMMXNRQM-HONMWMINSA-N	0	3	309.207	2.764	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cc(F)ccc2OC)CC1	ZINC000186240364	335157070	/nfs/dbraw/zinc/15/70/70/335157070.db2.gz	BZJHHYWCTGDVMZ-UHFFFAOYSA-N	0	3	320.408	2.534	20	30		DFEDHN
CCc1ccc2nc(NC(=O)[C@@H](N)CCCC#N)sc2c1	ZINC000571555127	333815995	/nfs/dbraw/zinc/81/59/95/333815995.db2.gz	SKTHNDLABZZEBE-NSHDSACASA-N	0	3	302.403	2.818	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)c2cccc(SCC#N)c2)CCCN1C	ZINC000343458712	335166258	/nfs/dbraw/zinc/16/62/58/335166258.db2.gz	RMYBOMJZSRNIIB-WFASDCNBSA-N	0	3	303.431	2.515	20	30		DFEDHN
Cc1ccccc1[C@@H](CN1CCOCC1)NCC(C)(C)CC#N	ZINC000414161921	333915324	/nfs/dbraw/zinc/91/53/24/333915324.db2.gz	GJRHSUUOBRQMBY-GOSISDBHSA-N	0	3	315.461	2.898	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000265115008	333963289	/nfs/dbraw/zinc/96/32/89/333963289.db2.gz	XZGAAQIISPPSPH-LSDHHAIUSA-N	0	3	316.449	2.917	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1cn(-c2cccc(F)c2)nc1C	ZINC000414459648	333987056	/nfs/dbraw/zinc/98/70/56/333987056.db2.gz	MHJLSQDRNHLFRF-INIZCTEOSA-N	0	3	303.381	2.737	20	30		DFEDHN
COC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)C1CC1	ZINC000269682421	334003228	/nfs/dbraw/zinc/00/32/28/334003228.db2.gz	RRMIBZSWBSMFNE-MRXNPFEDSA-N	0	3	318.417	2.892	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccc(CC#N)cc1)c1ccccc1	ZINC000270195431	334008784	/nfs/dbraw/zinc/00/87/84/334008784.db2.gz	DKWLOKJGKCBKBB-SFHVURJKSA-N	0	3	307.397	2.785	20	30		DFEDHN
CN(C)Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1	ZINC000270478351	334013573	/nfs/dbraw/zinc/01/35/73/334013573.db2.gz	OUALGJIMCBRQEX-UHFFFAOYSA-N	0	3	323.396	2.832	20	30		DFEDHN
C[C@@H](C#N)CN(C)Cc1ccccc1N(C)C1CCN(C)CC1	ZINC000271129842	334019022	/nfs/dbraw/zinc/01/90/22/334019022.db2.gz	NNKNVDYUHZFEPS-INIZCTEOSA-N	0	3	314.477	2.808	20	30		DFEDHN
COC[C@H]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C1	ZINC000271154335	334019526	/nfs/dbraw/zinc/01/95/26/334019526.db2.gz	CDCZOAFRGZMYBZ-INIZCTEOSA-N	0	3	318.417	2.846	20	30		DFEDHN
CCN(CCCO)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000271220528	334020351	/nfs/dbraw/zinc/02/03/51/334020351.db2.gz	ZAAOMIKCFOMAFO-UHFFFAOYSA-N	0	3	306.406	2.582	20	30		DFEDHN
CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(OCC#N)cc1	ZINC000271262956	334020729	/nfs/dbraw/zinc/02/07/29/334020729.db2.gz	VEJARAJUJCIKEW-UHFFFAOYSA-N	0	3	317.433	2.619	20	30		DFEDHN
C[C@H](O)[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000272564173	334037363	/nfs/dbraw/zinc/03/73/63/334037363.db2.gz	USQKIYCMDOZQDH-DOTOQJQBSA-N	0	3	324.428	2.666	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000274670482	334064993	/nfs/dbraw/zinc/06/49/93/334064993.db2.gz	XTPUUVUBVORFEX-KCQAQPDRSA-N	0	3	306.431	2.823	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC(C)(C#N)CC1	ZINC000275646592	334072730	/nfs/dbraw/zinc/07/27/30/334072730.db2.gz	MKTSVNYMCGSZEB-UHFFFAOYSA-N	0	3	314.433	2.948	20	30		DFEDHN
CN1C(=O)C[C@H](NCCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1	ZINC000276957560	334085742	/nfs/dbraw/zinc/08/57/42/334085742.db2.gz	PNCWLFZQCDDECC-GOEBONIOSA-N	0	3	321.371	2.766	20	30		DFEDHN
CN(C)CCN(Cc1cccc(F)c1)C(=O)CC(C)(C)C#N	ZINC000278416338	334096133	/nfs/dbraw/zinc/09/61/33/334096133.db2.gz	WPWGVKLKKDYTGW-UHFFFAOYSA-N	0	3	305.397	2.656	20	30		DFEDHN
CN(C[C@H](c1cccs1)N1CCOCC1)[C@H]1CC[C@@H](C#N)C1	ZINC000278502532	334096969	/nfs/dbraw/zinc/09/69/69/334096969.db2.gz	AJUKIHSXCMYDGK-OWCLPIDISA-N	0	3	319.474	2.745	20	30		DFEDHN
Cc1ccccc1C(=O)NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1	ZINC000278759404	334100961	/nfs/dbraw/zinc/10/09/61/334100961.db2.gz	XSBCLGWRXRROSV-DOTOQJQBSA-N	0	3	311.429	2.882	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000278864972	334102543	/nfs/dbraw/zinc/10/25/43/334102543.db2.gz	WPBNBJZEQCVKSO-GDBMZVCRSA-N	0	3	315.417	2.811	20	30		DFEDHN
N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2CCSC2)CC1	ZINC000279161603	334106319	/nfs/dbraw/zinc/10/63/19/334106319.db2.gz	BMUSWKQHLBJDSU-RDJZCZTQSA-N	0	3	301.459	2.622	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@@H]2C1	ZINC000281097195	334123077	/nfs/dbraw/zinc/12/30/77/334123077.db2.gz	GIPFMNVSPZEWEU-WMLDXEAASA-N	0	3	311.429	2.654	20	30		DFEDHN
N#CC1(CCCN[C@H](CO)c2ccc(F)cc2)CCOCC1	ZINC000281388328	334125881	/nfs/dbraw/zinc/12/58/81/334125881.db2.gz	POHFLUUKFHDVAJ-MRXNPFEDSA-N	0	3	306.381	2.549	20	30		DFEDHN
CN(Cc1ccc(CC#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000343563514	335178247	/nfs/dbraw/zinc/17/82/47/335178247.db2.gz	ZNMWUBLCOVKCQP-FQEVSTJZSA-N	0	3	324.424	2.762	20	30		DFEDHN
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCCSCC#N	ZINC000283676841	334140937	/nfs/dbraw/zinc/14/09/37/334140937.db2.gz	GXIKOACQRMDNFM-CABCVRRESA-N	0	3	302.447	2.687	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)N2CCCc3ccccc32)CC1	ZINC000284818076	334144593	/nfs/dbraw/zinc/14/45/93/334144593.db2.gz	AKBNRHZFJHECNP-UHFFFAOYSA-N	0	3	311.429	2.982	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](c2cccs2)C[C@@H]1C	ZINC000366641153	334148393	/nfs/dbraw/zinc/14/83/93/334148393.db2.gz	INHHHEGIRUDAOP-QLFBSQMISA-N	0	3	319.474	2.934	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000285811200	334150155	/nfs/dbraw/zinc/15/01/55/334150155.db2.gz	QPHDXUUEGFQDKU-KBXCAEBGSA-N	0	3	314.433	2.663	20	30		DFEDHN
CC[C@](C)(C#N)c1nc(-c2cccc(OCCN(C)C)c2)no1	ZINC000289057530	334163300	/nfs/dbraw/zinc/16/33/00/334163300.db2.gz	FYNLXDKFVCQCCW-QGZVFWFLSA-N	0	3	314.389	2.868	20	30		DFEDHN
N#CC1(CCCN2CC[C@@H](n3cc(Cl)cn3)C2)CCOCC1	ZINC000289931784	334169592	/nfs/dbraw/zinc/16/95/92/334169592.db2.gz	PCLYIYKEKKZTRG-OAHLLOKOSA-N	0	3	322.840	2.884	20	30		DFEDHN
C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(OCC#N)cc1	ZINC000290341313	334172503	/nfs/dbraw/zinc/17/25/03/334172503.db2.gz	PLVUEBJYBFIXBJ-BOFPYLFWSA-N	0	3	324.380	2.734	20	30		DFEDHN
C=CCN(CCC#N)CCCN1CCN(c2ccccc2)CC1	ZINC000292112163	334184673	/nfs/dbraw/zinc/18/46/73/334184673.db2.gz	HDNQDOSRZBNSKW-UHFFFAOYSA-N	0	3	312.461	2.600	20	30		DFEDHN
N#CCCOCCN1CCCCC[C@H]1C[C@@H](O)c1ccco1	ZINC000292705673	334191264	/nfs/dbraw/zinc/19/12/64/334191264.db2.gz	DQEJIQPAJMYLAC-JKSUJKDBSA-N	0	3	306.406	2.878	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)C1	ZINC000292787855	334192381	/nfs/dbraw/zinc/19/23/81/334192381.db2.gz	LGYKQKUCOLNVAC-KCXAZCMYSA-N	0	3	316.380	2.714	20	30		DFEDHN
N#CCCOCCN1CCC[C@H]1c1cccc2c1OCCO2	ZINC000293163080	334196257	/nfs/dbraw/zinc/19/62/57/334196257.db2.gz	RNWJOYBZPMTBJX-HNNXBMFYSA-N	0	3	302.374	2.525	20	30		DFEDHN
CCc1ccc([C@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)cc1	ZINC000293231486	334196655	/nfs/dbraw/zinc/19/66/55/334196655.db2.gz	HHKZYYLZYPZWJN-QAPCUYQASA-N	0	3	313.445	2.799	20	30		DFEDHN
CCc1ccc([C@@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)cc1	ZINC000293231474	334196672	/nfs/dbraw/zinc/19/66/72/334196672.db2.gz	HHKZYYLZYPZWJN-CRAIPNDOSA-N	0	3	313.445	2.799	20	30		DFEDHN
COc1ccc([C@H]2CCCN2CCOCCC#N)c(OC)c1	ZINC000293506152	334198463	/nfs/dbraw/zinc/19/84/63/334198463.db2.gz	OBFGCNVMPNHEOR-MRXNPFEDSA-N	0	3	304.390	2.771	20	30		DFEDHN
C[C@H](NCCOCCC#N)c1ccc(NC(=O)C2CC2)cc1	ZINC000293873238	334202977	/nfs/dbraw/zinc/20/29/77/334202977.db2.gz	SUMSOOGMRDRIRL-ZDUSSCGKSA-N	0	3	301.390	2.616	20	30		DFEDHN
COc1ccc(CN(CCOCCC#N)CC2CC2)c(OC)c1	ZINC000293984986	334204154	/nfs/dbraw/zinc/20/41/54/334204154.db2.gz	FAAOAQUYWPXXPS-UHFFFAOYSA-N	0	3	318.417	2.846	20	30		DFEDHN
N#CCCOCCN[C@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000293988931	334204207	/nfs/dbraw/zinc/20/42/07/334204207.db2.gz	FJRHYHJWKUAJQX-INIZCTEOSA-N	0	3	308.809	2.561	20	30		DFEDHN
N#CC1CCC(C[NH2+][C@H](c2cccs2)c2nnc[n-]2)CC1	ZINC000294453302	334209889	/nfs/dbraw/zinc/20/98/89/334209889.db2.gz	VUWPSVHCSIWWNW-ORHYLEIMSA-N	0	3	301.419	2.875	20	30		DFEDHN
N#CC1CCC(CN[C@H](c2cccs2)c2nnc[nH]2)CC1	ZINC000294453302	334209891	/nfs/dbraw/zinc/20/98/91/334209891.db2.gz	VUWPSVHCSIWWNW-ORHYLEIMSA-N	0	3	301.419	2.875	20	30		DFEDHN
CC[C@H](NCc1ccc(N(C)CCC#N)cc1)[C@@H](O)C(F)F	ZINC000294981919	334215211	/nfs/dbraw/zinc/21/52/11/334215211.db2.gz	GQDSJIQXPCWFQY-LSDHHAIUSA-N	0	3	311.376	2.531	20	30		DFEDHN
N#CCCCNCc1ccc(I)cc1	ZINC000295514281	334224548	/nfs/dbraw/zinc/22/45/48/334224548.db2.gz	VBTYWPPAEZDYTJ-UHFFFAOYSA-N	0	3	300.143	2.685	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)C12CCCN1CCC2	ZINC000414980956	334225527	/nfs/dbraw/zinc/22/55/27/334225527.db2.gz	AUSURKGLTFFDNL-UHFFFAOYSA-N	0	3	302.393	2.969	20	30		DFEDHN
CN(C)C[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000297912448	334244802	/nfs/dbraw/zinc/24/48/02/334244802.db2.gz	SYVAYSGHBUXDEY-XIRDDKMYSA-N	0	3	314.433	2.671	20	30		DFEDHN
C[C@H](CCC#N)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000298363117	334247992	/nfs/dbraw/zinc/24/79/92/334247992.db2.gz	NDONDMBVISGPKQ-KGLIPLIRSA-N	0	3	300.406	2.949	20	30		DFEDHN
C=C(C)COc1cc(CN2CCN(C)C[C@H]2C)ccc1OC	ZINC000353600252	334249193	/nfs/dbraw/zinc/24/91/93/334249193.db2.gz	YFHAXNLJYQQKRP-OAHLLOKOSA-N	0	3	304.434	2.786	20	30		DFEDHN
COc1cc(OC)cc(N2CCCN([C@H](C)CCC#N)CC2)c1	ZINC000298601492	334250027	/nfs/dbraw/zinc/25/00/27/334250027.db2.gz	LIAWGXFBINEKFY-OAHLLOKOSA-N	0	3	317.433	2.908	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1	ZINC000120522126	334317485	/nfs/dbraw/zinc/31/74/85/334317485.db2.gz	VACYYLABEJSFDV-SFHVURJKSA-N	0	3	321.424	2.852	20	30		DFEDHN
CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000340850653	334390154	/nfs/dbraw/zinc/39/01/54/334390154.db2.gz	NONHGEQCEHEKQJ-GRDNDAEWSA-N	0	3	321.465	2.511	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C	ZINC000340850655	334390190	/nfs/dbraw/zinc/39/01/90/334390190.db2.gz	NONHGEQCEHEKQJ-JJRVBVJISA-N	0	3	321.465	2.511	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1	ZINC000340933872	334394806	/nfs/dbraw/zinc/39/48/06/334394806.db2.gz	ZWVCNBIUIGWHFW-HNNXBMFYSA-N	0	3	304.482	2.899	20	30		DFEDHN
Cc1nn(C)c(CNCC(C)(C)CCC#N)c1Br	ZINC000342287622	334524721	/nfs/dbraw/zinc/52/47/21/334524721.db2.gz	AXJONNPGHVDXME-UHFFFAOYSA-N	0	3	313.243	2.911	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CCC)CCN(C)C)cc1OC	ZINC000343065593	334600124	/nfs/dbraw/zinc/60/01/24/334600124.db2.gz	LBMZKCZLFAXWCY-UHFFFAOYSA-N	0	3	320.433	2.674	20	30		DFEDHN
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC12CCN(C)CC2	ZINC000328839225	334759280	/nfs/dbraw/zinc/75/92/80/334759280.db2.gz	YPBLEWWMQLBPBH-AWEZNQCLSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)nc1)N(C)C	ZINC000330446475	334785531	/nfs/dbraw/zinc/78/55/31/334785531.db2.gz	HNBWEADVYINOIN-LBPRGKRZSA-N	0	3	306.410	2.679	20	30		DFEDHN
CCc1c(C(=O)NCCN2CCCCC2)cnn1C(C)(C)C	ZINC000330519440	334786645	/nfs/dbraw/zinc/78/66/45/334786645.db2.gz	GXRVGBSZHJODOU-UHFFFAOYSA-N	0	3	306.454	2.991	20	30		DFEDHN
COc1cnc(NC(=O)N(CCN(C)C)C2CCCC2)s1	ZINC000330722594	334806418	/nfs/dbraw/zinc/80/64/18/334806418.db2.gz	HVSRAZNGEKIFOF-UHFFFAOYSA-N	0	3	312.439	2.503	20	30		DFEDHN
CC(C)[C@@](C)(CO)NC(=O)c1cccc(CN2CCCC2)c1	ZINC000331192769	334844808	/nfs/dbraw/zinc/84/48/08/334844808.db2.gz	KPCXFAQOKLQDHT-GOSISDBHSA-N	0	3	304.434	2.994	20	30		DFEDHN
CS[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1N(C)C	ZINC000343658766	335185814	/nfs/dbraw/zinc/18/58/14/335185814.db2.gz	JYLNXBCTHMYFOD-CVEARBPZSA-N	0	3	308.878	2.669	20	30		DFEDHN
COC[C@H]1C[C@H](OC)CN1Cc1cccc(OCCCC#N)c1	ZINC000343871146	335199025	/nfs/dbraw/zinc/19/90/25/335199025.db2.gz	KZLHVPDEMBZURU-AEFFLSMTSA-N	0	3	318.417	2.605	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2nccc3sccc32)CC1	ZINC000343988572	335205955	/nfs/dbraw/zinc/20/59/55/335205955.db2.gz	BNTKJOSHIBBURW-CQSZACIVSA-N	0	3	317.458	2.745	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC[C@H]1Cn1ccnn1	ZINC000344419202	335247406	/nfs/dbraw/zinc/24/74/06/335247406.db2.gz	OFLOGXYSBCDAEA-INIZCTEOSA-N	0	3	309.417	2.744	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C(C)C)C(F)(F)F)CC1	ZINC000344392031	335249182	/nfs/dbraw/zinc/24/91/82/335249182.db2.gz	ARHMHEYROXSUAA-GFCCVEGCSA-N	0	3	307.360	2.523	20	30		DFEDHN
C=CCOc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1	ZINC000344626734	335264981	/nfs/dbraw/zinc/26/49/81/335264981.db2.gz	KVOYMJVXGLTDOD-UHFFFAOYSA-N	0	3	311.447	2.554	20	30		DFEDHN
CC1(C)c2ccc(C(=O)C(C#N)c3ccccn3)cc2NC1=O	ZINC000344738164	335272550	/nfs/dbraw/zinc/27/25/50/335272550.db2.gz	LOGWNJGPRBWPNI-LBPRGKRZSA-N	0	3	305.337	2.801	20	30		DFEDHN
CCN1CCO[C@H](CN[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000344841172	335279161	/nfs/dbraw/zinc/27/91/61/335279161.db2.gz	DKLSOSBFNXLYPL-AITUJVMLSA-N	0	3	313.445	2.730	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2C[C@H]3CCCN3C[C@@H]2C)c1C	ZINC000113269364	335300878	/nfs/dbraw/zinc/30/08/78/335300878.db2.gz	IETKPVAZBXVTKR-DOTOQJQBSA-N	0	3	315.461	2.642	20	30		DFEDHN
C=CCC(CC=C)C(=O)Nc1ccnc(OCCN(C)C)c1	ZINC000345301336	335315275	/nfs/dbraw/zinc/31/52/75/335315275.db2.gz	MUYHHTZNXAQTES-UHFFFAOYSA-N	0	3	303.406	2.729	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C	ZINC000345381726	335321900	/nfs/dbraw/zinc/32/19/00/335321900.db2.gz	PBJMMQXWLRRFBF-QAPCUYQASA-N	0	3	318.461	2.949	20	30		DFEDHN
CC(C)c1nc(CN(C)[C@H]2CCN(CCC(C)(C)C#N)C2)no1	ZINC000345710705	335349422	/nfs/dbraw/zinc/34/94/22/335349422.db2.gz	KZDQMLAQQNOLBM-AWEZNQCLSA-N	0	3	319.453	2.639	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCCc1ccccc1	ZINC000345764205	335349464	/nfs/dbraw/zinc/34/94/64/335349464.db2.gz	DNYYSRIKTGTQHO-INIZCTEOSA-N	0	3	313.445	2.892	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F	ZINC000345766038	335349872	/nfs/dbraw/zinc/34/98/72/335349872.db2.gz	QDDPVOPYWDOYNL-VHSXEESVSA-N	0	3	300.280	2.749	20	30		DFEDHN
COc1cc(CNC(=O)C(C)C#N)ccc1OCCC(C)C	ZINC000345816999	335353161	/nfs/dbraw/zinc/35/31/61/335353161.db2.gz	OPMPOASUHQFOLI-CYBMUJFWSA-N	0	3	304.390	2.896	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1	ZINC000345966977	335364387	/nfs/dbraw/zinc/36/43/87/335364387.db2.gz	UKGDLEIXSPOZPD-YOEHRIQHSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)OCC	ZINC000346180596	335378336	/nfs/dbraw/zinc/37/83/36/335378336.db2.gz	HJHZONADTDNWQX-TWMKSMIVSA-N	0	3	308.466	2.546	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CCCCC2)C[C@@H](C)C1	ZINC000346181076	335378620	/nfs/dbraw/zinc/37/86/20/335378620.db2.gz	HMNVOGKUADHPFR-XHSDSOJGSA-N	0	3	303.450	2.649	20	30		DFEDHN
C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000328611085	335391824	/nfs/dbraw/zinc/39/18/24/335391824.db2.gz	OEWCDWIQJGOVTN-JKSUJKDBSA-N	0	3	323.481	2.714	20	30		DFEDHN
C=CCOCC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1	ZINC000346440405	335407944	/nfs/dbraw/zinc/40/79/44/335407944.db2.gz	KHJUWZFGJHJCHQ-UHFFFAOYSA-N	0	3	318.417	2.611	20	30		DFEDHN
CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(OC)cc1	ZINC000346514573	335414670	/nfs/dbraw/zinc/41/46/70/335414670.db2.gz	BKMZDPIASWICTQ-BBRMVZONSA-N	0	3	315.417	2.687	20	30		DFEDHN
C=CCc1cc(CNC2(CC(=O)OC)CCC2)cc(OC)c1O	ZINC000347692563	335521785	/nfs/dbraw/zinc/52/17/85/335521785.db2.gz	XUMKMPLORJYWQQ-UHFFFAOYSA-N	0	3	319.401	2.705	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)nc(C)n1)C(C)C	ZINC000347848666	335528577	/nfs/dbraw/zinc/52/85/77/335528577.db2.gz	MCXUAJPUYBFGOP-QGZVFWFLSA-N	0	3	316.449	2.522	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1	ZINC000348179839	335560913	/nfs/dbraw/zinc/56/09/13/335560913.db2.gz	HZSOULRBAFLLOH-UHFFFAOYSA-N	0	3	316.445	2.812	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C	ZINC000348537745	335595088	/nfs/dbraw/zinc/59/50/88/335595088.db2.gz	YALRFBOOAJHGBB-CLCXKQKWSA-N	0	3	314.429	2.730	20	30		DFEDHN
C=C(C)CN(C)C[C@H](O)COc1ccc(/C=C\C)cc1OC	ZINC000351060886	336009691	/nfs/dbraw/zinc/00/96/91/336009691.db2.gz	FOYMETJYKCUUQU-WLMCBFPDSA-N	0	3	305.418	2.976	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329640499	336025379	/nfs/dbraw/zinc/02/53/79/336025379.db2.gz	XDSPUJHJTBGKEC-RDBSUJKOSA-N	0	3	301.365	2.603	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000520707302	336028497	/nfs/dbraw/zinc/02/84/97/336028497.db2.gz	WAHYLZXQLQWNQD-CYBMUJFWSA-N	0	3	306.406	2.677	20	30		DFEDHN
C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCO1	ZINC000329686020	336044452	/nfs/dbraw/zinc/04/44/52/336044452.db2.gz	UWALVSRHCRFLCL-CMPLNLGQSA-N	0	3	309.435	2.767	20	30		DFEDHN
CC(C)c1nccn1CCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000329822654	336086303	/nfs/dbraw/zinc/08/63/03/336086303.db2.gz	HGZQQNYLOHIXOR-DZGCQCFKSA-N	0	3	304.438	2.836	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nnc(C2CC2)n1C1CC1	ZINC000329885691	336092335	/nfs/dbraw/zinc/09/23/35/336092335.db2.gz	UZSDEWOLGIMBGW-TXEJJXNPSA-N	0	3	317.437	2.820	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)c1nnn(CC2CCCC2)c1C	ZINC000329886826	336092343	/nfs/dbraw/zinc/09/23/43/336092343.db2.gz	WQTRTLFRAHMTOQ-HNNXBMFYSA-N	0	3	319.453	2.566	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N(C([O-])=[NH+]C[C@H]2CCc3nccn3C2)C1	ZINC000329907794	336094467	/nfs/dbraw/zinc/09/44/67/336094467.db2.gz	LDKMARQGYPQYHO-QLFBSQMISA-N	0	3	304.438	2.870	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1coc(C2CCOCC2)n1	ZINC000329951145	336098761	/nfs/dbraw/zinc/09/87/61/336098761.db2.gz	ICRBCOGDQIESCT-ZDUSSCGKSA-N	0	3	321.421	2.748	20	30		DFEDHN
C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1=CCN(C)CC1	ZINC000329992917	336103843	/nfs/dbraw/zinc/10/38/43/336103843.db2.gz	KXFGFYGOYJFEIO-LLVKDONJSA-N	0	3	301.390	2.620	20	30		DFEDHN
CC1CC([NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1	ZINC000330017823	336106338	/nfs/dbraw/zinc/10/63/38/336106338.db2.gz	RUJDWOCEBYZTAE-OTTFEQOBSA-N	0	3	304.438	2.798	20	30		DFEDHN
CCN1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1	ZINC000330109625	336114105	/nfs/dbraw/zinc/11/41/05/336114105.db2.gz	PKZSYSHLEUOEQV-OWCLPIDISA-N	0	3	303.406	2.600	20	30		DFEDHN
CCOc1cccnc1C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000330161118	336119623	/nfs/dbraw/zinc/11/96/23/336119623.db2.gz	SRJLUINNTSQCPS-CYBMUJFWSA-N	0	3	303.406	2.802	20	30		DFEDHN
C[C@H](C(=O)N[C@H]1CCOC2(CCOCC2)C1)N1CCCCCC1	ZINC000330218822	336125666	/nfs/dbraw/zinc/12/56/66/336125666.db2.gz	JQWULDLTWXXUGK-CVEARBPZSA-N	0	3	324.465	2.936	20	30		DFEDHN
C[C@H](C(=O)N[C@@H]1CCOC2(CCOCC2)C1)N1[C@H](C)CC[C@@H]1C	ZINC000330219274	336125769	/nfs/dbraw/zinc/12/57/69/336125769.db2.gz	KAFWLYLHRXUOHN-QKPAOTATSA-N	0	3	324.465	2.932	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000330235271	336127935	/nfs/dbraw/zinc/12/79/35/336127935.db2.gz	TVLVXENRDCBECV-YNZJMPHRSA-N	0	3	318.373	2.549	20	30		DFEDHN
CCc1nc(C)c(CNC(=O)N2CC[C@H](N3CCCCC3)C2)o1	ZINC000330250780	336130005	/nfs/dbraw/zinc/13/00/05/336130005.db2.gz	HBNPZQNRFCOXMH-AWEZNQCLSA-N	0	3	320.437	2.520	20	30		DFEDHN
CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCCCC2)C1	ZINC000330269969	336131814	/nfs/dbraw/zinc/13/18/14/336131814.db2.gz	SQVLMANEJUQMJS-JKSUJKDBSA-N	0	3	323.481	2.856	20	30		DFEDHN
Cc1ncsc1CNC(=O)[C@@H]1CCCN1C1CCOCC1	ZINC000330349985	336173655	/nfs/dbraw/zinc/17/36/55/336173655.db2.gz	KOBBAIVUCSCRQK-ZDUSSCGKSA-N	0	3	309.435	2.551	20	30		DFEDHN
C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCC(C)CC1	ZINC000333080405	336197790	/nfs/dbraw/zinc/19/77/90/336197790.db2.gz	FJNNWEGPPHVFCR-QAPCUYQASA-N	0	3	303.450	2.697	20	30		DFEDHN
C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCC(C)CC1	ZINC000333080404	336197832	/nfs/dbraw/zinc/19/78/32/336197832.db2.gz	FJNNWEGPPHVFCR-MAUKXSAKSA-N	0	3	303.450	2.697	20	30		DFEDHN
CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H](C)O	ZINC000352222679	336203975	/nfs/dbraw/zinc/20/39/75/336203975.db2.gz	SAMRLVGBVNDHIQ-LBPRGKRZSA-N	0	3	301.308	2.639	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C	ZINC000352270313	336209151	/nfs/dbraw/zinc/20/91/51/336209151.db2.gz	FFHIUEZUHDMDPN-CWRNSKLLSA-N	0	3	302.418	2.513	20	30		DFEDHN
C=C[C@@H]1CCCCN1CCc1c(C)nc2sccn2c1=O	ZINC000352421115	336217481	/nfs/dbraw/zinc/21/74/81/336217481.db2.gz	KAXUCDRLRPYKTN-CYBMUJFWSA-N	0	3	303.431	2.647	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000352446931	336219573	/nfs/dbraw/zinc/21/95/73/336219573.db2.gz	IEJDEEVAAWNYAC-GFCCVEGCSA-N	0	3	304.371	2.960	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1	ZINC000352480270	336221236	/nfs/dbraw/zinc/22/12/36/336221236.db2.gz	GWDIXHJVAKFLOM-GMEUVTARSA-N	0	3	311.154	2.720	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1C[C@H]1c1ccc(Br)c(F)c1	ZINC000352480269	336221266	/nfs/dbraw/zinc/22/12/66/336221266.db2.gz	GWDIXHJVAKFLOM-FDOIEUKUSA-N	0	3	311.154	2.720	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1	ZINC000352480271	336221274	/nfs/dbraw/zinc/22/12/74/336221274.db2.gz	GWDIXHJVAKFLOM-JWKOBGCHSA-N	0	3	311.154	2.720	20	30		DFEDHN
C[C@H]1[C@@H](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000526136134	336231554	/nfs/dbraw/zinc/23/15/54/336231554.db2.gz	PKBVBYCPFPETMD-DOTOQJQBSA-N	0	3	311.429	2.502	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SCCOC)cc1	ZINC000103500196	336242191	/nfs/dbraw/zinc/24/21/91/336242191.db2.gz	SJUZEDLFQKIXJW-ZIAGYGMSSA-N	0	3	322.474	2.766	20	30		DFEDHN
C=C(C)CN1CCC(Nc2ccc(C(F)(F)F)nn2)CC1	ZINC000302003447	336342567	/nfs/dbraw/zinc/34/25/67/336342567.db2.gz	RGNIROLMQMNTMF-UHFFFAOYSA-N	0	3	300.328	2.948	20	30		DFEDHN
Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCCC#N)N(C)C	ZINC000352901895	336375381	/nfs/dbraw/zinc/37/53/81/336375381.db2.gz	MKAXOFTUPZNGCJ-RDJZCZTQSA-N	0	3	316.449	2.979	20	30		DFEDHN
CCCCCCCCCCN1CCC(S(N)(=O)=O)CC1	ZINC000367140462	336377678	/nfs/dbraw/zinc/37/76/78/336377678.db2.gz	NPVODOUSDNHDDT-UHFFFAOYSA-N	0	3	304.500	2.880	20	30		DFEDHN
C=C(C)CN(CCCN1CCOCC1)Cc1cnn(C(C)C)c1	ZINC000352950148	336378904	/nfs/dbraw/zinc/37/89/04/336378904.db2.gz	LRINYUCESHFXJR-UHFFFAOYSA-N	0	3	320.481	2.564	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1c(C)cccc1C	ZINC000355067258	336493709	/nfs/dbraw/zinc/49/37/09/336493709.db2.gz	UMWSNSWCELHZIF-XJKSGUPXSA-N	0	3	301.434	2.962	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC(C)(C)C#N)N(C)C	ZINC000355084901	336494161	/nfs/dbraw/zinc/49/41/61/336494161.db2.gz	PJBYQUFRAUHVQZ-ZBFHGGJFSA-N	0	3	316.449	2.835	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1	ZINC000357586132	336591564	/nfs/dbraw/zinc/59/15/64/336591564.db2.gz	CVFMMAPPQZWMTH-QGZVFWFLSA-N	0	3	316.470	2.860	20	30		DFEDHN
C=CCC[C@H](NCCn1nc2ccccn2c1=O)c1ccccc1	ZINC000358101511	336611775	/nfs/dbraw/zinc/61/17/75/336611775.db2.gz	RXOFZLLOUCRIGR-KRWDZBQOSA-N	0	3	322.412	2.793	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C	ZINC000358624630	336637335	/nfs/dbraw/zinc/63/73/35/336637335.db2.gz	GEKURPSPXSUTRL-KRWDZBQOSA-N	0	3	319.449	2.952	20	30		DFEDHN
C=C(C)[C@H](NCCN1CCCOCC1)c1ccc(F)c(F)c1	ZINC000361382499	336754547	/nfs/dbraw/zinc/75/45/47/336754547.db2.gz	WCKSHERLRWIKCL-KRWDZBQOSA-N	0	3	310.388	2.894	20	30		DFEDHN
COC1(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CCCC1	ZINC000361508201	336760194	/nfs/dbraw/zinc/76/01/94/336760194.db2.gz	JQLOEIXZDBQRBY-SFHVURJKSA-N	0	3	313.445	2.828	20	30		DFEDHN
C=C(C)COc1cc(CNCCC[S@](C)=O)ccc1OC	ZINC000116919953	336849813	/nfs/dbraw/zinc/84/98/13/336849813.db2.gz	BFRCXXQKQZNMHB-OAQYLSRUSA-N	0	3	311.447	2.508	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000369758044	336871299	/nfs/dbraw/zinc/87/12/99/336871299.db2.gz	SFBMNUVLZMWRQZ-MSOLQXFVSA-N	0	3	302.462	2.807	20	30		DFEDHN
CCOc1ncccc1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21	ZINC000373232168	336954056	/nfs/dbraw/zinc/95/40/56/336954056.db2.gz	ZQOUMJHAYWHYJE-HZMVEIRTSA-N	0	3	315.417	2.810	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@H]1CCC[C@H]1c1ccc(C)cc1	ZINC000374712566	336995583	/nfs/dbraw/zinc/99/55/83/336995583.db2.gz	IWTAPIVQCREFNV-IRXDYDNUSA-N	0	3	307.459	2.822	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1	ZINC000375020226	337001635	/nfs/dbraw/zinc/00/16/35/337001635.db2.gz	MMZJUFJIKDHJFX-WMLDXEAASA-N	0	3	315.417	2.809	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000375682787	337016497	/nfs/dbraw/zinc/01/64/97/337016497.db2.gz	KTQWRAAUIJEEGT-OAHLLOKOSA-N	0	3	307.825	2.560	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3cccc(F)c3)C2=O)C1	ZINC000375721744	337017738	/nfs/dbraw/zinc/01/77/38/337017738.db2.gz	WUWNHQYDEMXQMR-KMFMINBZSA-N	0	3	315.392	2.993	20	30		DFEDHN
CC(C)C[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000123468522	337048467	/nfs/dbraw/zinc/04/84/67/337048467.db2.gz	CFFSVGHZJYAHIU-INIZCTEOSA-N	0	3	304.438	2.543	20	30		DFEDHN
COC(=O)[C@]1(C(F)(F)F)CCN(CCCC(C)(C)C#N)C1	ZINC000377395588	337051760	/nfs/dbraw/zinc/05/17/60/337051760.db2.gz	FQXDWTQWUBKKRA-ZDUSSCGKSA-N	0	3	306.328	2.744	20	30		DFEDHN
C#Cc1ccc(CNCc2ccc(-n3ccnc3C)nc2)cc1	ZINC000377619061	337056545	/nfs/dbraw/zinc/05/65/45/337056545.db2.gz	DIBOPMCOBWCHQH-UHFFFAOYSA-N	0	3	302.381	2.847	20	30		DFEDHN
C=CCN(CC=C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C	ZINC000377709270	337059494	/nfs/dbraw/zinc/05/94/94/337059494.db2.gz	SYXHQXHCIAOZOJ-ROUUACIJSA-N	0	3	313.445	2.988	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C	ZINC000377882728	337063178	/nfs/dbraw/zinc/06/31/78/337063178.db2.gz	DRZYUXTVTYSORR-DLBZAZTESA-N	0	3	313.445	2.704	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000377884659	337063415	/nfs/dbraw/zinc/06/34/15/337063415.db2.gz	RFIFHRBBOIOZQX-SJORKVTESA-N	0	3	313.445	2.704	20	30		DFEDHN
CN1CC[C@@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccs1	ZINC000377960025	337064502	/nfs/dbraw/zinc/06/45/02/337064502.db2.gz	MXUDPAOHCWFNJW-QFBILLFUSA-N	0	3	324.449	2.909	20	30		DFEDHN
COC(=O)[C@H]1CN(Cc2ccc(O[C@H](C)C#N)cc2)CC1(C)C	ZINC000378370498	337071085	/nfs/dbraw/zinc/07/10/85/337071085.db2.gz	OOMSUUKGWHLXPF-CZUORRHYSA-N	0	3	316.401	2.608	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1(C)C	ZINC000378370496	337071101	/nfs/dbraw/zinc/07/11/01/337071101.db2.gz	OOMSUUKGWHLXPF-BBRMVZONSA-N	0	3	316.401	2.608	20	30		DFEDHN
CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(OCC#N)cc1	ZINC000194174060	337082470	/nfs/dbraw/zinc/08/24/70/337082470.db2.gz	SIFJBGFNOZZGQN-KBPBESRZSA-N	0	3	303.406	2.544	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1	ZINC000171719776	337088981	/nfs/dbraw/zinc/08/89/81/337088981.db2.gz	UHLJBKPGDZPMEM-UHFFFAOYSA-N	0	3	302.393	2.624	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1	ZINC000172068333	337089578	/nfs/dbraw/zinc/08/95/78/337089578.db2.gz	ZOWWPBOOKBHHMB-UXHICEINSA-N	0	3	307.393	2.837	20	30		DFEDHN
C=CCCCCCN(C)[C@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000173495338	337135073	/nfs/dbraw/zinc/13/50/73/337135073.db2.gz	FLLKGJYFPLIAJU-HNNXBMFYSA-N	0	3	304.438	2.594	20	30		DFEDHN
C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000175598835	337148352	/nfs/dbraw/zinc/14/83/52/337148352.db2.gz	PUJSLNWCZGNJKU-FUHWJXTLSA-N	0	3	313.445	2.752	20	30		DFEDHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(SCC#N)c1	ZINC000176051849	337150223	/nfs/dbraw/zinc/15/02/23/337150223.db2.gz	INTJZHAOSBUGMU-UKRRQHHQSA-N	0	3	315.442	2.611	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2scnc2C(C)(C)C)CC1	ZINC000176780087	337151696	/nfs/dbraw/zinc/15/16/96/337151696.db2.gz	CTAFSONJBNQDTH-UHFFFAOYSA-N	0	3	307.463	2.821	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CN1C1CC1	ZINC000177102842	337154314	/nfs/dbraw/zinc/15/43/14/337154314.db2.gz	BTBMTRSBFKXJHE-TZMCWYRMSA-N	0	3	315.442	2.657	20	30		DFEDHN
C[C@@H]1CC[C@H](C(N)=O)CN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000177278235	337156624	/nfs/dbraw/zinc/15/66/24/337156624.db2.gz	LJPQUNGVKUTZLC-OCCSQVGLSA-N	0	3	324.346	2.643	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000178775210	337165112	/nfs/dbraw/zinc/16/51/12/337165112.db2.gz	NJEHGTBPAWNMRA-CVEARBPZSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)CO[C@H]2CCCC[C@@H]2CC)CC1	ZINC000184984510	337202303	/nfs/dbraw/zinc/20/23/03/337202303.db2.gz	YPKLVVGJNODXIN-RDJZCZTQSA-N	0	3	308.466	2.738	20	30		DFEDHN
N#CCCC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000583021449	337225955	/nfs/dbraw/zinc/22/59/55/337225955.db2.gz	FZPWHPXRBYEDRQ-MRXNPFEDSA-N	0	3	306.381	2.581	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2c(F)cccc2OC)CC1	ZINC000186132317	337253866	/nfs/dbraw/zinc/25/38/66/337253866.db2.gz	LUUMFHGGJMGLJC-UHFFFAOYSA-N	0	3	307.369	2.606	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1c(C)noc1CC)C(C)C	ZINC000186248776	337254998	/nfs/dbraw/zinc/25/49/98/337254998.db2.gz	NJGDBLSTOVCCPZ-OAHLLOKOSA-N	0	3	319.449	2.974	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1	ZINC000190183702	337285302	/nfs/dbraw/zinc/28/53/02/337285302.db2.gz	JNYXLFGYFBBUCI-GFCCVEGCSA-N	0	3	319.371	2.659	20	30		DFEDHN
C=CCCCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000190964551	337291808	/nfs/dbraw/zinc/29/18/08/337291808.db2.gz	VSVBXNFLVVUHOD-SFHVURJKSA-N	0	3	316.445	2.750	20	30		DFEDHN
C=CCCC[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1	ZINC000398182035	337309117	/nfs/dbraw/zinc/30/91/17/337309117.db2.gz	SWSDROAFLTXHTA-CQSZACIVSA-N	0	3	306.431	2.666	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000106790523	337387201	/nfs/dbraw/zinc/38/72/01/337387201.db2.gz	AURGUUVUOOJTDS-OAHLLOKOSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)N[C@H]1CNCCC1(F)F	ZINC000418754071	337395528	/nfs/dbraw/zinc/39/55/28/337395528.db2.gz	WFXCNDRCKBABJU-AWEZNQCLSA-N	0	3	315.408	2.762	20	30		DFEDHN
CN1CCO[C@H]([C@@H](NCCCCC#N)c2ccc(Cl)cc2)C1	ZINC000245550895	337475104	/nfs/dbraw/zinc/47/51/04/337475104.db2.gz	APDIVVMURVWQNT-IRXDYDNUSA-N	0	3	321.852	2.995	20	30		DFEDHN
C=C(C)CCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O	ZINC000419216624	337476478	/nfs/dbraw/zinc/47/64/78/337476478.db2.gz	BWGBUMDGYMRZIW-ZDUSSCGKSA-N	0	3	300.324	2.658	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(-c2nccs2)cc1	ZINC000424066428	337730986	/nfs/dbraw/zinc/73/09/86/337730986.db2.gz	NGXBYUIOTHEJPJ-ZDUSSCGKSA-N	0	3	300.387	2.770	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCCCOc1ccc(Cl)cc1	ZINC000424068633	337731092	/nfs/dbraw/zinc/73/10/92/337731092.db2.gz	ZVFIIVQEWIDJHX-HNNXBMFYSA-N	0	3	323.824	2.636	20	30		DFEDHN
CCCOc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424097940	337733870	/nfs/dbraw/zinc/73/38/70/337733870.db2.gz	KGALFDWKJSNOOE-BBRMVZONSA-N	0	3	303.406	2.674	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCCSCC#N	ZINC000496664290	340010105	/nfs/dbraw/zinc/01/01/05/340010105.db2.gz	YXPYPCRWZUOZCJ-STQMWFEESA-N	0	3	313.467	2.621	20	30		DFEDHN
CC(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1ccccc1	ZINC000424194383	337805679	/nfs/dbraw/zinc/80/56/79/337805679.db2.gz	XFVKMYMOVCACQS-SJORKVTESA-N	0	3	301.434	2.639	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccc(C)cc2C)CC1	ZINC000106038040	337812168	/nfs/dbraw/zinc/81/21/68/337812168.db2.gz	VQQMXYROTRHMMH-UHFFFAOYSA-N	0	3	316.445	2.839	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nccs2)CC1	ZINC000106275445	337815834	/nfs/dbraw/zinc/81/58/34/337815834.db2.gz	MTRASGAALAWZQG-LBPRGKRZSA-N	0	3	308.451	2.544	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)NCCc1ccc(OCCN(C)C)cc1	ZINC000424643564	337940700	/nfs/dbraw/zinc/94/07/00/337940700.db2.gz	LSTDRHHHWQUTFP-UHFFFAOYSA-N	0	3	318.461	2.888	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(Cn3cncn3)CC2)cc1	ZINC000428489666	338054899	/nfs/dbraw/zinc/05/48/99/338054899.db2.gz	KHSQBBMMXLCYHZ-UHFFFAOYSA-N	0	3	312.417	2.755	20	30		DFEDHN
C=C(CC)CN(Cc1cncs1)C1CCN(C(C)=O)CC1	ZINC000429111512	338070922	/nfs/dbraw/zinc/07/09/22/338070922.db2.gz	CXMHVGNXVOTDPA-UHFFFAOYSA-N	0	3	307.463	2.922	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1c(C)cccc1CC	ZINC000429709579	338088033	/nfs/dbraw/zinc/08/80/33/338088033.db2.gz	QQZOYLBEMWGOKV-UHFFFAOYSA-N	0	3	317.477	2.936	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1nc(C)c(C)s1	ZINC000429708643	338088102	/nfs/dbraw/zinc/08/81/02/338088102.db2.gz	NHPBAYUCXLHTEW-CYBMUJFWSA-N	0	3	324.494	2.527	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000429782331	338089817	/nfs/dbraw/zinc/08/98/17/338089817.db2.gz	FTGBAAFCQUTJME-CABCVRRESA-N	0	3	324.346	2.561	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000430701577	338111716	/nfs/dbraw/zinc/11/17/16/338111716.db2.gz	DWOIVFJNUVHVPQ-OCCSQVGLSA-N	0	3	303.431	2.515	20	30		DFEDHN
CN(CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CC1	ZINC000431280352	338127284	/nfs/dbraw/zinc/12/72/84/338127284.db2.gz	JKKDPVUZZNGELP-KRWDZBQOSA-N	0	3	314.433	2.815	20	30		DFEDHN
CN(C)[C@@H](CC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000431524947	338133280	/nfs/dbraw/zinc/13/32/80/338133280.db2.gz	RMEFODXSHFMBHH-IBGZPJMESA-N	0	3	306.409	2.847	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](CCCC#N)c1ccccc1	ZINC000433014452	338176305	/nfs/dbraw/zinc/17/63/05/338176305.db2.gz	FBXVSRYVDXTYEC-KRWDZBQOSA-N	0	3	312.417	2.773	20	30		DFEDHN
Cc1cc(C)c(CNC(=O)C(C#N)CCc2ccccc2)c(=O)[nH]1	ZINC000433217034	338186232	/nfs/dbraw/zinc/18/62/32/338186232.db2.gz	BAWSGYZZLAPQJX-INIZCTEOSA-N	0	3	323.396	2.793	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H]1COc2ccccc2C1	ZINC000433225668	338186664	/nfs/dbraw/zinc/18/66/64/338186664.db2.gz	JCHAMSJUJFPXMA-ROUUACIJSA-N	0	3	320.392	2.879	20	30		DFEDHN
N#Cc1cccc(CNC(=O)C(C#N)CCc2ccccc2)c1	ZINC000433235853	338187199	/nfs/dbraw/zinc/18/71/99/338187199.db2.gz	WXFCQMMNLCQMQP-SFHVURJKSA-N	0	3	303.365	2.947	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2ncc[nH]2)CC1	ZINC000433352878	338193693	/nfs/dbraw/zinc/19/36/93/338193693.db2.gz	JRFTZQDRGCTLGP-KRWDZBQOSA-N	0	3	322.412	2.888	20	30		DFEDHN
CC(C)C[C@H](CCO)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433375209	338194147	/nfs/dbraw/zinc/19/41/47/338194147.db2.gz	GYDIOSKBLPUDBP-ROUUACIJSA-N	0	3	316.445	2.920	20	30		DFEDHN
CC(C)C[C@@H](CCO)CNC(=O)C(C#N)CCc1ccccc1	ZINC000433375204	338194152	/nfs/dbraw/zinc/19/41/52/338194152.db2.gz	GYDIOSKBLPUDBP-MSOLQXFVSA-N	0	3	316.445	2.920	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(Br)cn1	ZINC000435728404	338246421	/nfs/dbraw/zinc/24/64/21/338246421.db2.gz	LJLPYPOLPUKNML-RISCZKNCSA-N	0	3	311.223	2.915	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1	ZINC000435930420	338253143	/nfs/dbraw/zinc/25/31/43/338253143.db2.gz	XJNHEGDJYFIHQS-HNNXBMFYSA-N	0	3	318.380	2.952	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)NCc1ccc(CN(C)C)cc1	ZINC000437626755	338316633	/nfs/dbraw/zinc/31/66/33/338316633.db2.gz	IZTDYTAEPSNXHX-SFHVURJKSA-N	0	3	304.434	2.593	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C	ZINC000437632688	338316739	/nfs/dbraw/zinc/31/67/39/338316739.db2.gz	HJLBMERMTLZZHQ-VQHPVUNQSA-N	0	3	323.481	2.530	20	30		DFEDHN
CCc1ccnc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000437700090	338318696	/nfs/dbraw/zinc/31/86/96/338318696.db2.gz	RXFDNMBOTRUOBS-QGZVFWFLSA-N	0	3	318.380	2.514	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H]1CCOc2ccc(Br)cc21	ZINC000438627387	338350331	/nfs/dbraw/zinc/35/03/31/338350331.db2.gz	USGAHGVGBLECKB-CABZTGNLSA-N	0	3	323.190	2.891	20	30		DFEDHN
C[C@@H](SCCN(C)C)C(=O)N(CCC#N)c1ccccc1	ZINC000446572298	338530653	/nfs/dbraw/zinc/53/06/53/338530653.db2.gz	JQPWPMWVNZCGEC-CQSZACIVSA-N	0	3	305.447	2.617	20	30		DFEDHN
C=CC[C@H](CO)CN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000447587285	338559683	/nfs/dbraw/zinc/55/96/83/338559683.db2.gz	QUIOVEFZQSEJEC-UONOGXRCSA-N	0	3	321.417	2.916	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC12CCCC2	ZINC000448938574	338580450	/nfs/dbraw/zinc/58/04/50/338580450.db2.gz	UVUKTGOIHGVSEI-MAUKXSAKSA-N	0	3	301.434	2.547	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000451604937	338740200	/nfs/dbraw/zinc/74/02/00/338740200.db2.gz	IZYKNMIFPQIUAC-KOZAUXTDSA-N	0	3	322.836	2.839	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000451605937	338740251	/nfs/dbraw/zinc/74/02/51/338740251.db2.gz	LMVSCFKULSHAMK-NXHRZFHOSA-N	0	3	316.445	2.745	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000451605936	338740288	/nfs/dbraw/zinc/74/02/88/338740288.db2.gz	LMVSCFKULSHAMK-JQHSSLGASA-N	0	3	316.445	2.745	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccc(F)cc1	ZINC000451679576	338741818	/nfs/dbraw/zinc/74/18/18/338741818.db2.gz	ZHCVCSAKZYQDDY-XYPHTWIQSA-N	0	3	320.408	2.668	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc1Cl)OCCO2	ZINC000451685310	338741980	/nfs/dbraw/zinc/74/19/80/338741980.db2.gz	XEUQFYZVLTXFJR-KGLIPLIRSA-N	0	3	309.793	2.934	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC)c(Cl)c1	ZINC000451684791	338741984	/nfs/dbraw/zinc/74/19/84/338741984.db2.gz	WDGVPYLTHGTWFK-CABCVRRESA-N	0	3	309.793	2.950	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000452781691	338779235	/nfs/dbraw/zinc/77/92/35/338779235.db2.gz	XBQDNLDSVWHOEO-FUHWJXTLSA-N	0	3	310.482	2.842	20	30		DFEDHN
C=CCC[C@H](CO)N[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453339984	338827507	/nfs/dbraw/zinc/82/75/07/338827507.db2.gz	CZPBKXRXQBRVFB-SWLSCSKDSA-N	0	3	306.406	2.631	20	30		DFEDHN
C=CCC[C@H](CO)N[C@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453339980	338827543	/nfs/dbraw/zinc/82/75/43/338827543.db2.gz	CZPBKXRXQBRVFB-IUODEOHRSA-N	0	3	306.406	2.631	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1	ZINC000453360444	338831294	/nfs/dbraw/zinc/83/12/94/338831294.db2.gz	OBEFJAATPRMCOO-DFBDCSAJSA-N	0	3	303.402	2.545	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1	ZINC000454534317	338865960	/nfs/dbraw/zinc/86/59/60/338865960.db2.gz	DXUJVGCAAYRYSN-CVEARBPZSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=CCC[C@@H](CO)NC(=O)c1oc2ccccc2c1CN(C)C	ZINC000456766935	338939741	/nfs/dbraw/zinc/93/97/41/338939741.db2.gz	IZQCKQFSUYUTEF-ZDUSSCGKSA-N	0	3	316.401	2.551	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1	ZINC000458161344	338990210	/nfs/dbraw/zinc/99/02/10/338990210.db2.gz	XMCPRFQIJWUXGO-SFHVURJKSA-N	0	3	313.445	2.797	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000458671935	339003106	/nfs/dbraw/zinc/00/31/06/339003106.db2.gz	RXHPHECTASOZSI-IBGZPJMESA-N	0	3	313.445	2.706	20	30		DFEDHN
C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000459009960	339011021	/nfs/dbraw/zinc/01/10/21/339011021.db2.gz	VSBNPOZJAALWIT-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=C(CC)CNC(=O)N(CCN(C)C)Cc1cccc(F)c1	ZINC000459074307	339012850	/nfs/dbraw/zinc/01/28/50/339012850.db2.gz	JYPLCMMVOLBECL-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=C(C)COCCNCc1ccccc1N1CCO[C@H](C)C1	ZINC000459435571	339029167	/nfs/dbraw/zinc/02/91/67/339029167.db2.gz	DURRPNPZDWTARI-MRXNPFEDSA-N	0	3	304.434	2.594	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC3(C2)CCOCC3)c1	ZINC000459617216	339038707	/nfs/dbraw/zinc/03/87/07/339038707.db2.gz	JMGVESCWXBOEHX-UHFFFAOYSA-N	0	3	300.402	2.982	20	30		DFEDHN
C[C@@H]1CN(c2ccccc2CNCC(C)(C)CC#N)CCO1	ZINC000459659916	339041112	/nfs/dbraw/zinc/04/11/12/339041112.db2.gz	AESSRWPFXHGREC-OAHLLOKOSA-N	0	3	301.434	2.941	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cc3c(s2)CCCC3)CC1	ZINC000490575198	339834705	/nfs/dbraw/zinc/83/47/05/339834705.db2.gz	NZCRMHHRBZAPIJ-UHFFFAOYSA-N	0	3	316.470	2.588	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc3c2OC(C)(C)C3)CC1	ZINC000490739226	339839076	/nfs/dbraw/zinc/83/90/76/339839076.db2.gz	BYPMIZFHVLDMCX-UHFFFAOYSA-N	0	3	312.413	2.684	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)nn2CCCCC)CC1	ZINC000490778794	339840034	/nfs/dbraw/zinc/84/00/34/339840034.db2.gz	LKRVGMNHONDMLK-UHFFFAOYSA-N	0	3	316.449	2.665	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(Cc3ccccc3)CCC2)CC1	ZINC000490804176	339840842	/nfs/dbraw/zinc/84/08/42/339840842.db2.gz	UTUCLDURCUWDRY-UHFFFAOYSA-N	0	3	310.441	2.613	20	30		DFEDHN
C#C[C@H](NC(=O)NC1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000491095438	339848657	/nfs/dbraw/zinc/84/86/57/339848657.db2.gz	KWONNGJPVPEMLL-HNNXBMFYSA-N	0	3	323.799	2.547	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cc(C)nc3ccccc23)CC1	ZINC000491104132	339849017	/nfs/dbraw/zinc/84/90/17/339849017.db2.gz	RQLFRPCKNONBKN-UHFFFAOYSA-N	0	3	321.424	2.505	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000491546101	339866470	/nfs/dbraw/zinc/86/64/70/339866470.db2.gz	UNEGZXVJCUODRE-HNNXBMFYSA-N	0	3	319.474	2.671	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C\c1ccncc1)C(C)C	ZINC000491843744	339884973	/nfs/dbraw/zinc/88/49/73/339884973.db2.gz	JNRRUQLPZGNPGL-ZEVQVBBLSA-N	0	3	313.445	2.910	20	30		DFEDHN
C#CC[C@@H](CC(F)(F)F)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000495884912	339994007	/nfs/dbraw/zinc/99/40/07/339994007.db2.gz	JWJKDWVZUYYTCU-RYUDHWBXSA-N	0	3	320.355	2.930	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCc3c(cccc3N3CCOC3=O)C2)C1	ZINC000496531008	340007301	/nfs/dbraw/zinc/00/73/01/340007301.db2.gz	UZDUQEURSXIKPA-UKRRQHHQSA-N	0	3	311.385	2.694	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C	ZINC000496715522	340011146	/nfs/dbraw/zinc/01/11/46/340011146.db2.gz	DACXFDARMPWTKQ-QWHCGFSZSA-N	0	3	323.437	2.688	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC[C@H](C#N)CCC#N	ZINC000496809854	340013480	/nfs/dbraw/zinc/01/34/80/340013480.db2.gz	JMTPILHAMRQGIQ-LSDHHAIUSA-N	0	3	320.437	2.809	20	30		DFEDHN
CN(CCNC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1	ZINC000496942983	340016733	/nfs/dbraw/zinc/01/67/33/340016733.db2.gz	ZOBBMBZZLLFYGA-UHFFFAOYSA-N	0	3	303.406	2.709	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCCCC#N)C1	ZINC000507332382	340217468	/nfs/dbraw/zinc/21/74/68/340217468.db2.gz	ILXQVLIXONGVCE-RDJZCZTQSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCNC(=O)CNCCCc1c(Cl)cccc1Cl	ZINC000193308527	340575812	/nfs/dbraw/zinc/57/58/12/340575812.db2.gz	YLMFPOMEHWJXNB-UHFFFAOYSA-N	0	3	301.217	2.818	20	30		DFEDHN
C=CCNC(=O)CN1CCN(CC2CCC(CCC)CC2)CC1	ZINC000538308270	340817442	/nfs/dbraw/zinc/81/74/42/340817442.db2.gz	LWSIGBQNIBQXFW-UHFFFAOYSA-N	0	3	321.509	2.513	20	30		DFEDHN
C=CCC[C@@H](CCC)[NH2+]CC[N-]S(=O)(=O)c1cccs1	ZINC000546605989	341174499	/nfs/dbraw/zinc/17/44/99/341174499.db2.gz	DOXUGXAEGZVZMT-CYBMUJFWSA-N	0	3	316.492	2.751	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OC)cc1OC(F)F	ZINC000134500632	341216423	/nfs/dbraw/zinc/21/64/23/341216423.db2.gz	GNICNIKPBMSDAO-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
C=C(C)COCCNCc1cc(OC)ccc1OC(F)F	ZINC000134507308	341216555	/nfs/dbraw/zinc/21/65/55/341216555.db2.gz	GBDGOJNUXQDOEO-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
CC#CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000134934415	341226857	/nfs/dbraw/zinc/22/68/57/341226857.db2.gz	OBWMZAOTVCXITF-OAHLLOKOSA-N	0	3	319.474	2.844	20	30		DFEDHN
C=C(Br)CNC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000135732750	341245060	/nfs/dbraw/zinc/24/50/60/341245060.db2.gz	ZGPVILDUZKMDJQ-UHFFFAOYSA-N	0	3	319.243	2.884	20	30		DFEDHN
C=C(C)CN(CC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000079221503	341255581	/nfs/dbraw/zinc/25/55/81/341255581.db2.gz	GWRKXRXGOFHRCA-QGZVFWFLSA-N	0	3	303.450	2.767	20	30		DFEDHN
N#CCC[C@H](C#N)CNC1CCN(Cc2ccc(F)cc2)CC1	ZINC000548929081	341281387	/nfs/dbraw/zinc/28/13/87/341281387.db2.gz	KBVSEMCRUQVAFN-MRXNPFEDSA-N	0	3	314.408	2.823	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccs1)c1nnc[n-]1	ZINC000550797096	341323267	/nfs/dbraw/zinc/32/32/67/341323267.db2.gz	KYDJNPPMKQFOOE-YUTCNCBUSA-N	0	3	304.419	2.526	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1cccs1)c1nnc[nH]1	ZINC000550797096	341323268	/nfs/dbraw/zinc/32/32/68/341323268.db2.gz	KYDJNPPMKQFOOE-YUTCNCBUSA-N	0	3	304.419	2.526	20	30		DFEDHN
Cc1cccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1	ZINC000554391903	341453184	/nfs/dbraw/zinc/45/31/84/341453184.db2.gz	ISMMJTHHHLHQLS-SFHVURJKSA-N	0	3	310.397	2.591	20	30		DFEDHN
Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(O[C@@H]2CCOC2)c1	ZINC000567212407	341587865	/nfs/dbraw/zinc/58/78/65/341587865.db2.gz	PFGSSNBDOMXQHH-DJIMGWMZSA-N	0	3	300.402	2.945	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCc3ccccc3C2)CC1	ZINC000574211331	341752023	/nfs/dbraw/zinc/75/20/23/341752023.db2.gz	OBOLWWKZCXGWAM-SFHVURJKSA-N	0	3	312.457	2.948	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cnc(C(C)(C)C)nc2)CC1	ZINC000580591204	341883001	/nfs/dbraw/zinc/88/30/01/341883001.db2.gz	RKLBDNUTDLZZIF-UHFFFAOYSA-N	0	3	316.449	2.544	20	30		DFEDHN
N#CCC1(CNC[C@@H](O)COCc2ccccc2Cl)CC1	ZINC000577276067	341901702	/nfs/dbraw/zinc/90/17/02/341901702.db2.gz	XPWXQJCACQOPPL-CQSZACIVSA-N	0	3	308.809	2.501	20	30		DFEDHN
N#CC1(c2ccc(CN3CCC[C@@H](n4cncn4)C3)cc2)CC1	ZINC000597002954	501029429	/nfs/dbraw/zinc/02/94/29/501029429.db2.gz	JTTJKUJDNDVDRN-QGZVFWFLSA-N	0	3	307.401	2.670	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)N(C)C)cc1	ZINC000452169665	518175731	/nfs/dbraw/zinc/17/57/31/518175731.db2.gz	OUQWCXQFCLMPFP-NUTKFTJISA-N	0	3	317.458	2.677	20	30		DFEDHN
Cc1nc(N(C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000309901551	534439859	/nfs/dbraw/zinc/43/98/59/534439859.db2.gz	INOWHECMKRCSAJ-SFHVURJKSA-N	0	3	306.413	2.972	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@H]1Cn1ccnc1C	ZINC000154584972	523523464	/nfs/dbraw/zinc/52/34/64/523523464.db2.gz	MYQGXQQOLFYTHM-KRWDZBQOSA-N	0	3	310.401	2.736	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@H]3CCCC[C@@H]32)c1	ZINC000331704223	534807447	/nfs/dbraw/zinc/80/74/47/534807447.db2.gz	ZNCJFYAVNGGMGW-MSOLQXFVSA-N	0	3	311.429	2.829	20	30		DFEDHN
N#Cc1cccc(C#N)c1N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000364991956	526696328	/nfs/dbraw/zinc/69/63/28/526696328.db2.gz	RYCLCFDKQBMIPN-RUYXUALKSA-N	0	3	314.392	2.972	20	30		DFEDHN
CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccncc1	ZINC000299723045	528400418	/nfs/dbraw/zinc/40/04/18/528400418.db2.gz	SVXIXUGXPYGBLT-UHFFFAOYSA-N	0	3	308.385	2.804	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000299384251	528959845	/nfs/dbraw/zinc/95/98/45/528959845.db2.gz	OYJDHUOYAFITIB-INIZCTEOSA-N	0	3	314.385	2.802	20	30		DFEDHN
CCN1CCC[C@@H]1CNc1ncc(Br)cc1C#N	ZINC000296657952	529082024	/nfs/dbraw/zinc/08/20/24/529082024.db2.gz	YAXYCEONAOOGAM-GFCCVEGCSA-N	0	3	309.211	2.612	20	30		DFEDHN
CC(C)CN1CCO[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1	ZINC000358562387	535114823	/nfs/dbraw/zinc/11/48/23/535114823.db2.gz	UQWNWXNOFPNKMR-HOCLYGCPSA-N	0	3	319.424	2.705	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CO)[C@@H](C)c1ccccc1	ZINC000680987788	545576740	/nfs/dbraw/zinc/57/67/40/545576740.db2.gz	BHWQQUJJUDHEKK-XYJFISCASA-N	0	3	318.461	2.554	20	30		DFEDHN
CC(=O)N1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@@H](C)C1	ZINC000681445449	545641001	/nfs/dbraw/zinc/64/10/01/545641001.db2.gz	SNLCHXCYEBIBLK-SUMWQHHRSA-N	0	3	304.821	2.538	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1ccc(Cl)cc1	ZINC000681456165	545643278	/nfs/dbraw/zinc/64/32/78/545643278.db2.gz	TUQQUKFJRKHAJM-SJLPKXTDSA-N	0	3	318.848	2.928	20	30		DFEDHN
C=CCCOCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C	ZINC000682385686	545835439	/nfs/dbraw/zinc/83/54/39/545835439.db2.gz	QFKMPFCJAPPQEG-QAPCUYQASA-N	0	3	304.434	2.695	20	30		DFEDHN
C=C(C)[C@@H](CO)N(C)Cc1ccc(Br)c(F)c1	ZINC000683144451	545979276	/nfs/dbraw/zinc/97/92/76/545979276.db2.gz	KUUILMKPTCVKGZ-CYBMUJFWSA-N	0	3	302.187	2.957	20	30		DFEDHN
C=CCN1CC[C@@H](N2Cc3ccccc3N(C)C[C@H]2CC)C1=O	ZINC000685002138	546317198	/nfs/dbraw/zinc/31/71/98/546317198.db2.gz	WQHHTKIFSASXQW-SJLPKXTDSA-N	0	3	313.445	2.504	20	30		DFEDHN
C=C(C)C[N@H+](CC)CCCOc1cccc(-c2nnn[n-]2)c1	ZINC000819722240	606882504	/nfs/dbraw/zinc/88/25/04/606882504.db2.gz	FAZNEWKCQLIEDN-UHFFFAOYSA-N	0	3	301.394	2.534	20	30		DFEDHN
C=C(C)C[N@@H+](CC)CCCOc1cccc(-c2nnn[n-]2)c1	ZINC000819722240	606882506	/nfs/dbraw/zinc/88/25/06/606882506.db2.gz	FAZNEWKCQLIEDN-UHFFFAOYSA-N	0	3	301.394	2.534	20	30		DFEDHN
C=C(C)C[N@H+](CC)CCCOc1cccc(-c2nn[n-]n2)c1	ZINC000819722240	606882508	/nfs/dbraw/zinc/88/25/08/606882508.db2.gz	FAZNEWKCQLIEDN-UHFFFAOYSA-N	0	3	301.394	2.534	20	30		DFEDHN
C=C(C)C[N@@H+](CC)CCCOc1cccc(-c2nn[n-]n2)c1	ZINC000819722240	606882509	/nfs/dbraw/zinc/88/25/09/606882509.db2.gz	FAZNEWKCQLIEDN-UHFFFAOYSA-N	0	3	301.394	2.534	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1	ZINC000824613850	608490788	/nfs/dbraw/zinc/49/07/88/608490788.db2.gz	WKYWEMXCUMJALK-LLVKDONJSA-N	0	3	322.347	2.728	20	30		DFEDHN
C=CCSCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21	ZINC000823937002	608519587	/nfs/dbraw/zinc/51/95/87/608519587.db2.gz	DHWFFCUVKFOWOW-OAHLLOKOSA-N	0	3	315.446	2.753	20	30		DFEDHN
C=CCSCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21	ZINC000823937002	608519589	/nfs/dbraw/zinc/51/95/89/608519589.db2.gz	DHWFFCUVKFOWOW-OAHLLOKOSA-N	0	3	315.446	2.753	20	30		DFEDHN
C=CCCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000076733794	185036863	/nfs/dbraw/zinc/03/68/63/185036863.db2.gz	YRQJIZAXWQIVSI-LBPRGKRZSA-N	0	3	307.369	2.760	20	30		DFEDHN
Cc1ccoc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000065930880	398351134	/nfs/dbraw/zinc/35/11/34/398351134.db2.gz	GYAUYXMFXMZKBH-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
CCCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCN(C)C1	ZINC000591971212	398365744	/nfs/dbraw/zinc/36/57/44/398365744.db2.gz	FRZZXCITIIQVQI-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cc(OC)ccc2F)CC1	ZINC000088406339	185249057	/nfs/dbraw/zinc/24/90/57/185249057.db2.gz	SGLLUTMSXFZKQJ-UHFFFAOYSA-N	0	3	321.396	2.996	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596280708	398375390	/nfs/dbraw/zinc/37/53/90/398375390.db2.gz	KBDLUJLSICLQKK-QKPAOTATSA-N	0	3	306.454	2.631	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596280711	398375636	/nfs/dbraw/zinc/37/56/36/398375636.db2.gz	KBDLUJLSICLQKK-XUWVNRHRSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cccn2Cc2ccccc2)CC1	ZINC000592068636	398378994	/nfs/dbraw/zinc/37/89/94/398378994.db2.gz	JBIMMRPNAACMKW-UHFFFAOYSA-N	0	3	323.440	2.917	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cc(-c2ccccc2)ns1	ZINC000579589347	398382132	/nfs/dbraw/zinc/38/21/32/398382132.db2.gz	MRHXJJHBRUNCDM-GFCCVEGCSA-N	0	3	300.387	2.770	20	30		DFEDHN
CCc1nnc(NC[C@H]2CCN2C(C)(C)C)c(C#N)c1CC	ZINC000596308818	398382571	/nfs/dbraw/zinc/38/25/71/398382571.db2.gz	VZYYZJVLYLQEPP-GFCCVEGCSA-N	0	3	301.438	2.758	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000083763366	398390820	/nfs/dbraw/zinc/39/08/20/398390820.db2.gz	ZQZJNWJVXLFQSF-LLVKDONJSA-N	0	3	318.258	2.801	20	30		DFEDHN
CN(CCOc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2	ZINC000015369885	398395168	/nfs/dbraw/zinc/39/51/68/398395168.db2.gz	BWKQQTQVARUKLL-UHFFFAOYSA-N	0	3	310.353	2.798	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1	ZINC000592154837	398394052	/nfs/dbraw/zinc/39/40/52/398394052.db2.gz	YLWMCNHCHKJLSE-LJQANCHMSA-N	0	3	319.408	2.697	20	30		DFEDHN
N#Cc1cc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)ccn1	ZINC000592165773	398396008	/nfs/dbraw/zinc/39/60/08/398396008.db2.gz	FOZNNJIQYVVHNA-UXHICEINSA-N	0	3	321.424	2.911	20	30		DFEDHN
COc1ccc(CN2CC3(C[C@@H]2C)CCOCC3)cc1C#N	ZINC000592182469	398397743	/nfs/dbraw/zinc/39/77/43/398397743.db2.gz	AZHBRMASPSIHPE-AWEZNQCLSA-N	0	3	300.402	2.958	20	30		DFEDHN
CCCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCN(C)C1	ZINC000592228241	398405450	/nfs/dbraw/zinc/40/54/50/398405450.db2.gz	STVUOXHSXBCVBT-CQSZACIVSA-N	0	3	304.369	2.645	20	30		DFEDHN
CCN(C(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCN(CC)C1	ZINC000596436407	398411922	/nfs/dbraw/zinc/41/19/22/398411922.db2.gz	JKAXBVUPRVFQTE-YOEHRIQHSA-N	0	3	314.433	2.745	20	30		DFEDHN
N#Cc1ncccc1NCC1CCN(Cc2ccncc2)CC1	ZINC000596436030	398411484	/nfs/dbraw/zinc/41/14/84/398411484.db2.gz	HXENIIHATKXCHO-UHFFFAOYSA-N	0	3	307.401	2.672	20	30		DFEDHN
CN1CCc2ncnc(Oc3c(Cl)cc(F)cc3C#N)c2C1	ZINC000596445733	398414237	/nfs/dbraw/zinc/41/42/37/398414237.db2.gz	HQKRUQVMMKOBMY-UHFFFAOYSA-N	0	3	318.739	2.921	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cc(C)c(Cl)cc2OC)CC1	ZINC000067126888	398419256	/nfs/dbraw/zinc/41/92/56/398419256.db2.gz	HSEQZNRNSXOTEG-UHFFFAOYSA-N	0	3	320.820	2.941	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(C#N)cc1	ZINC000596475698	398423569	/nfs/dbraw/zinc/42/35/69/398423569.db2.gz	LZTVJSDBLKBOJS-AWEZNQCLSA-N	0	3	300.406	2.800	20	30		DFEDHN
Cc1ccc2c(c1)[C@H](NCc1cnc3c(C#N)cnn3c1)[C@H](C)C2	ZINC000592505408	398437165	/nfs/dbraw/zinc/43/71/65/398437165.db2.gz	SYAPOZCNZVVTKA-FZKQIMNGSA-N	0	3	317.396	2.933	20	30		DFEDHN
N#C[C@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)C1	ZINC000592524578	398441654	/nfs/dbraw/zinc/44/16/54/398441654.db2.gz	YOHSHTSNWLOYOB-MFWIUYSUSA-N	0	3	322.412	2.984	20	30		DFEDHN
Cc1ccc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000025867106	398446660	/nfs/dbraw/zinc/44/66/60/398446660.db2.gz	UJCNIMRDOUYYBJ-LJQANCHMSA-N	0	3	324.424	2.933	20	30		DFEDHN
C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)C1=CCN(C)CC1	ZINC000272755316	210160306	/nfs/dbraw/zinc/16/03/06/210160306.db2.gz	ULTJDMFLVGHCEN-NSHDSACASA-N	0	3	318.808	2.984	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1	ZINC000027208037	398460648	/nfs/dbraw/zinc/46/06/48/398460648.db2.gz	YIPCJBPZWLVBQB-LJQANCHMSA-N	0	3	310.397	2.568	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1	ZINC000090142587	398482816	/nfs/dbraw/zinc/48/28/16/398482816.db2.gz	RZRNHQTZBVWUMI-SFHVURJKSA-N	0	3	314.404	2.665	20	30		DFEDHN
CCN(C(=O)Nc1cc(C#N)ccc1C)[C@@H]1CCN(CC)C1	ZINC000596706075	398482217	/nfs/dbraw/zinc/48/22/17/398482217.db2.gz	CQOCBQVWESNZSC-OAHLLOKOSA-N	0	3	300.406	2.815	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000596766516	398497475	/nfs/dbraw/zinc/49/74/75/398497475.db2.gz	HXHGOBHGZUAEDZ-LSDHHAIUSA-N	0	3	306.454	2.585	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3nc(C)cc(C#N)n3)c2)CC1	ZINC000286798712	219172131	/nfs/dbraw/zinc/17/21/31/219172131.db2.gz	KHPJSQCROZSQAJ-UHFFFAOYSA-N	0	3	322.416	2.542	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1F)c1ccc(C#N)cc1	ZINC000030532702	398503124	/nfs/dbraw/zinc/50/31/24/398503124.db2.gz	ZFBXXQGZZXYEJE-CZUORRHYSA-N	0	3	314.360	2.788	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000308178932	398512880	/nfs/dbraw/zinc/51/28/80/398512880.db2.gz	LYBCFJHTTXYMKV-MRXNPFEDSA-N	0	3	321.428	2.987	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@H]2CCCN2Cc2ccccc2)n1	ZINC000308164281	398512436	/nfs/dbraw/zinc/51/24/36/398512436.db2.gz	DKTOJHPOSOIPHG-QGZVFWFLSA-N	0	3	321.428	2.987	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2ncc(Br)cc2C#N)CCN1C	ZINC000311108744	398514651	/nfs/dbraw/zinc/51/46/51/398514651.db2.gz	DTNFFHLGJCXWCC-SKDRFNHKSA-N	0	3	309.211	2.610	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1c1ncc(Br)cc1C#N	ZINC000311948853	398515154	/nfs/dbraw/zinc/51/51/54/398515154.db2.gz	JGVUWDVLHQGLPU-ZDUSSCGKSA-N	0	3	323.238	2.636	20	30		DFEDHN
CN(C)CCOc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1	ZINC000592983678	398514403	/nfs/dbraw/zinc/51/44/03/398514403.db2.gz	HNBJRMBJQBJKMZ-KRWDZBQOSA-N	0	3	324.424	2.969	20	30		DFEDHN
CCN(Cc1cccs1)C[C@H](O)COc1ccccc1C#N	ZINC000314731052	398521186	/nfs/dbraw/zinc/52/11/86/398521186.db2.gz	AFCTTXNENRFUDW-HNNXBMFYSA-N	0	3	316.426	2.882	20	30		DFEDHN
N#Cc1ccc(CNC2(CCO)CCCCC2)c([N+](=O)[O-])c1	ZINC000593022580	398522826	/nfs/dbraw/zinc/52/28/26/398522826.db2.gz	HKCWWGNKFZDBOB-UHFFFAOYSA-N	0	3	303.362	2.641	20	30		DFEDHN
N#Cc1ccc(CN2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1	ZINC000593031137	398525596	/nfs/dbraw/zinc/52/55/96/398525596.db2.gz	TVUMVENRJFHLSE-OAHLLOKOSA-N	0	3	303.362	2.593	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000596909864	398527820	/nfs/dbraw/zinc/52/78/20/398527820.db2.gz	BNIPLHIWMGBSML-CYBMUJFWSA-N	0	3	304.369	2.692	20	30		DFEDHN
C[C@H](CC#N)C(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000596967594	398536690	/nfs/dbraw/zinc/53/66/90/398536690.db2.gz	IELGGFCKWSPDEI-MRXNPFEDSA-N	0	3	301.434	2.559	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000596972484	398538908	/nfs/dbraw/zinc/53/89/08/398538908.db2.gz	BDKLKVVWLBBGOV-ZDUSSCGKSA-N	0	3	307.825	2.780	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN(CCC)Cc1ccccc1O	ZINC000069009945	398543426	/nfs/dbraw/zinc/54/34/26/398543426.db2.gz	FNADARVMPHSVDE-UHFFFAOYSA-N	0	3	302.418	2.805	20	30		DFEDHN
COC[C@H](NC1CCN(CC#N)CC1)c1cccc(Cl)c1	ZINC000589339169	398547648	/nfs/dbraw/zinc/54/76/48/398547648.db2.gz	VFNOBVDAJRQHKK-INIZCTEOSA-N	0	3	307.825	2.605	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](Cn2ccnn2)C1	ZINC000092070198	398556823	/nfs/dbraw/zinc/55/68/23/398556823.db2.gz	GVTLUYFZIRRBAK-MRXNPFEDSA-N	0	3	312.417	2.755	20	30		DFEDHN
C[C@H](CC#N)C(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000597061067	398558989	/nfs/dbraw/zinc/55/89/89/398558989.db2.gz	JKDGECVQLQZFMR-QGZVFWFLSA-N	0	3	313.445	2.703	20	30		DFEDHN
Cc1nc(N2CCC[C@H]2[C@@H]2CCCN2C)c(Cl)cc1C#N	ZINC000589687316	398570846	/nfs/dbraw/zinc/57/08/46/398570846.db2.gz	QROSZZCYQCIKEF-GJZGRUSLSA-N	0	3	304.825	2.978	20	30		DFEDHN
CSc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1	ZINC000337214735	398575400	/nfs/dbraw/zinc/57/54/00/398575400.db2.gz	FQQLMHITTFCJET-CHWSQXEVSA-N	0	3	305.447	2.820	20	30		DFEDHN
CC(C)N1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000069620993	398578810	/nfs/dbraw/zinc/57/88/10/398578810.db2.gz	XVSFZNXMILBVHE-UHFFFAOYSA-N	0	3	300.406	2.701	20	30		DFEDHN
C=CCCNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-]	ZINC000597183083	398584166	/nfs/dbraw/zinc/58/41/66/398584166.db2.gz	FRMHYONNJANRQC-UHFFFAOYSA-N	0	3	316.304	2.913	20	30		DFEDHN
Cc1cc(F)ccc1C[C@@H](C)NCc1cnc2c(C#N)cnn2c1	ZINC000597178516	398583485	/nfs/dbraw/zinc/58/34/85/398583485.db2.gz	ZSSCIQLTSHMLGH-CYBMUJFWSA-N	0	3	323.375	2.769	20	30		DFEDHN
COC(=O)c1ccccc1OCCN(C)Cc1cccc(C#N)c1	ZINC000182017051	199375574	/nfs/dbraw/zinc/37/55/74/199375574.db2.gz	KZKKJOCKVLTGCC-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
Cc1ccc2oc(CNC[C@H]3CNc4c(C#N)cnn4C3)cc2c1	ZINC000597209565	398591006	/nfs/dbraw/zinc/59/10/06/398591006.db2.gz	LNFRTXSPGKCXJZ-ZDUSSCGKSA-N	0	3	321.384	2.641	20	30		DFEDHN
N#Cc1c(Cl)nsc1N1CC[C@H](CN2CCCCC2)C1	ZINC000092657731	398591091	/nfs/dbraw/zinc/59/10/91/398591091.db2.gz	VEVJMCTTXSXYBQ-LLVKDONJSA-N	0	3	310.854	2.980	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(CC(=O)NC3CCCC3)CC2)C1	ZINC000590155931	398600802	/nfs/dbraw/zinc/60/08/02/398600802.db2.gz	YXPLJDQJAHHWNG-WBVHZDCISA-N	0	3	303.450	2.840	20	30		DFEDHN
N#CC1(CC(=O)NC2CCN(CCc3ccccc3)CC2)CC1	ZINC000590153312	398601274	/nfs/dbraw/zinc/60/12/74/398601274.db2.gz	XDZQHNVUIHKXSC-UHFFFAOYSA-N	0	3	311.429	2.504	20	30		DFEDHN
C[C@@H]1c2ccc(F)cc2CCN1CCC(=O)N(C)CCC#N	ZINC000092797481	398601277	/nfs/dbraw/zinc/60/12/77/398601277.db2.gz	SCEOCXPBQRCBGY-CYBMUJFWSA-N	0	3	303.381	2.507	20	30		DFEDHN
CC1CCN(C[C@@H](O)CNc2ccc3cc(C#N)ccc3n2)CC1	ZINC000092896993	398606327	/nfs/dbraw/zinc/60/63/27/398606327.db2.gz	VLBUVSGZWUGEMG-KRWDZBQOSA-N	0	3	324.428	2.611	20	30		DFEDHN
COC1CCN(CCNc2ccc3cc(C#N)ccc3n2)CC1	ZINC000092920219	398606742	/nfs/dbraw/zinc/60/67/42/398606742.db2.gz	FWKWEDQOWPRMSP-UHFFFAOYSA-N	0	3	310.401	2.629	20	30		DFEDHN
N#CCCOCCN1CCC(OCc2ccc(F)cc2)CC1	ZINC000590168619	398602862	/nfs/dbraw/zinc/60/28/62/398602862.db2.gz	GDPCIEMVICELMI-UHFFFAOYSA-N	0	3	306.381	2.737	20	30		DFEDHN
N#CC1(CC(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1	ZINC000590187366	398604064	/nfs/dbraw/zinc/60/40/64/398604064.db2.gz	BMGYIWNRNYQOET-UHFFFAOYSA-N	0	3	323.440	2.730	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C)C1	ZINC000043228919	398616030	/nfs/dbraw/zinc/61/60/30/398616030.db2.gz	OGXGYLCGTFJAQK-KBPBESRZSA-N	0	3	300.406	2.800	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC	ZINC000593397172	398617787	/nfs/dbraw/zinc/61/77/87/398617787.db2.gz	TXGHNOGBKCJLCU-PBHICJAKSA-N	0	3	317.433	2.744	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H](C)CC#N	ZINC000597321687	398620170	/nfs/dbraw/zinc/62/01/70/398620170.db2.gz	NSJDBVRTKPNILQ-WMZOPIPTSA-N	0	3	313.445	2.907	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1	ZINC000152396794	186068434	/nfs/dbraw/zinc/06/84/34/186068434.db2.gz	MBIIBOAAUHQCNI-INIZCTEOSA-N	0	3	307.401	2.864	20	30		DFEDHN
CC[C@H](C#N)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000593440372	398630427	/nfs/dbraw/zinc/63/04/27/398630427.db2.gz	KQTIVUPVMHZGDK-CQSZACIVSA-N	0	3	305.447	2.626	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1OC	ZINC000093482761	398639227	/nfs/dbraw/zinc/63/92/27/398639227.db2.gz	AXUWXICFCNLRQE-GOEBONIOSA-N	0	3	305.418	2.995	20	30		DFEDHN
CN(C)CCOc1ccc(CN(CC#N)C2CCCC2)cc1	ZINC000093563136	398641303	/nfs/dbraw/zinc/64/13/03/398641303.db2.gz	ZYZNRGLTBUPZQM-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](COCCOC)C2)cc1	ZINC000093754109	398643544	/nfs/dbraw/zinc/64/35/44/398643544.db2.gz	BHYVMINAEZHNIV-KRWDZBQOSA-N	0	3	305.418	2.736	20	30		DFEDHN
C=CCCCN1CCN(Cc2c(C)nc3n2CCCC3)CC1	ZINC000364650468	398646183	/nfs/dbraw/zinc/64/61/83/398646183.db2.gz	PEHPPMOIYCRFLP-UHFFFAOYSA-N	0	3	302.466	2.612	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(C)CC1	ZINC000073006964	398654845	/nfs/dbraw/zinc/65/48/45/398654845.db2.gz	DDEKLDCJMHVCPX-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](c3ccccc3)C2)CC1	ZINC000171737811	197976940	/nfs/dbraw/zinc/97/69/40/197976940.db2.gz	NXNJNKQTXLUYHZ-QGZVFWFLSA-N	0	3	313.445	2.836	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCCN2CCO)n1	ZINC000590709142	398656696	/nfs/dbraw/zinc/65/66/96/398656696.db2.gz	QDCJANMTTARHEL-OAHLLOKOSA-N	0	3	316.449	2.509	20	30		DFEDHN
C=CCCCC[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1	ZINC000590726791	398659457	/nfs/dbraw/zinc/65/94/57/398659457.db2.gz	WZTWZGFMBXOGOL-UHFFFAOYSA-N	0	3	306.410	2.517	20	30		DFEDHN
C=CCCCC[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1	ZINC000590726791	398659460	/nfs/dbraw/zinc/65/94/60/398659460.db2.gz	WZTWZGFMBXOGOL-UHFFFAOYSA-N	0	3	306.410	2.517	20	30		DFEDHN
C[C@@H]1CSCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172593332	198119653	/nfs/dbraw/zinc/11/96/53/198119653.db2.gz	DSJVTLJLDQHIRN-LLVKDONJSA-N	0	3	323.849	2.978	20	30		DFEDHN
CC[C@H]1CN(C)CCCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000597603802	398667514	/nfs/dbraw/zinc/66/75/14/398667514.db2.gz	DXMZTGZCXASQGM-QAPCUYQASA-N	0	3	313.445	2.680	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3ccncc3F)CC2)c1	ZINC000593691910	398671469	/nfs/dbraw/zinc/67/14/69/398671469.db2.gz	UUOCVINUHJPXOL-UHFFFAOYSA-N	0	3	324.403	2.847	20	30		DFEDHN
C[C@@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000597627471	398671774	/nfs/dbraw/zinc/67/17/74/398671774.db2.gz	URVPLZINGFAWLT-RDJZCZTQSA-N	0	3	313.445	2.953	20	30		DFEDHN
CC[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000391005457	398675013	/nfs/dbraw/zinc/67/50/13/398675013.db2.gz	WNDOVMRMBTZWCE-DLBZAZTESA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCn1c(SCCN(C)C)nc2sc(C)c(C)c2c1=O	ZINC000072646306	191208967	/nfs/dbraw/zinc/20/89/67/191208967.db2.gz	CGHNAKDTYWNYNF-UHFFFAOYSA-N	0	3	323.487	2.915	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCc1ccc(OCCN(C)C)cc1	ZINC000280983919	334975090	/nfs/dbraw/zinc/97/50/90/334975090.db2.gz	MBNDLBRMFTWRKN-INIZCTEOSA-N	0	3	319.449	2.781	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1	ZINC000590874323	398692415	/nfs/dbraw/zinc/69/24/15/398692415.db2.gz	NIMWILLMJMOKQG-QYZOEREBSA-N	0	3	319.408	2.888	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000073665083	398692763	/nfs/dbraw/zinc/69/27/63/398692763.db2.gz	NFTDLQNXZOUQAT-HUUCEWRRSA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@H](CO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593831284	398695390	/nfs/dbraw/zinc/69/53/90/398695390.db2.gz	SYZNHCAFYBYHJT-QAPCUYQASA-N	0	3	314.429	2.626	20	30		DFEDHN
COc1ccc(CNCCN(C)Cc2ccccc2)cc1C#N	ZINC000174299110	198316411	/nfs/dbraw/zinc/31/64/11/198316411.db2.gz	FBCJAFKDXHHPJL-UHFFFAOYSA-N	0	3	309.413	2.788	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F	ZINC000593917751	398702985	/nfs/dbraw/zinc/70/29/85/398702985.db2.gz	JPCWKGDVFOWATD-NVXWUHKLSA-N	0	3	317.408	2.770	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c2cc(F)ccc2O1	ZINC000593916112	398703136	/nfs/dbraw/zinc/70/31/36/398703136.db2.gz	AWPHXRSYDNTAJH-UONOGXRCSA-N	0	3	319.380	2.565	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H](C)CCOc2ccccc2)CC1	ZINC000073080329	191277294	/nfs/dbraw/zinc/27/72/94/191277294.db2.gz	AYQUVQORNQYVIQ-MRXNPFEDSA-N	0	3	316.445	2.858	20	30		DFEDHN
C=CCN(CCCc1cncn1C)Cc1cccc([N+](=O)[O-])c1	ZINC000593950932	398707260	/nfs/dbraw/zinc/70/72/60/398707260.db2.gz	CTWLCARTOSTDFY-UHFFFAOYSA-N	0	3	314.389	2.949	20	30		DFEDHN
C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccccn1	ZINC000597864303	398707469	/nfs/dbraw/zinc/70/74/69/398707469.db2.gz	MNNXPPBIPDGYOZ-WMLDXEAASA-N	0	3	318.380	2.555	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(F)cc1	ZINC000046529330	398711753	/nfs/dbraw/zinc/71/17/53/398711753.db2.gz	MBMFNJKKWGGAMR-KRWDZBQOSA-N	0	3	314.360	2.569	20	30		DFEDHN
C[C@@H](NCC#Cc1ccccc1)c1ccc2c(c1)CC(=O)N2C	ZINC000277046337	213259809	/nfs/dbraw/zinc/25/98/09/213259809.db2.gz	UJXHHWGWRAGTPV-OAHLLOKOSA-N	0	3	304.393	2.908	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000597924473	398722239	/nfs/dbraw/zinc/72/22/39/398722239.db2.gz	SEHFNJWRDYSORQ-GFCCVEGCSA-N	0	3	305.809	2.814	20	30		DFEDHN
CCN1CCN(C[C@@H](C)CNc2c(Cl)cccc2C#N)CC1	ZINC000277031253	213251810	/nfs/dbraw/zinc/25/18/10/213251810.db2.gz	DYQLDGVPGDUQAB-AWEZNQCLSA-N	0	3	320.868	2.897	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC[C@H](OC3CCC3)C2)c1	ZINC000594026270	398725047	/nfs/dbraw/zinc/72/50/47/398725047.db2.gz	HXXLVPPKBZOPQW-SFHVURJKSA-N	0	3	300.402	2.971	20	30		DFEDHN
COC(=O)[C@@H](C)Oc1ccc(CNCc2cccc(C#N)c2)cc1	ZINC000182758101	199486158	/nfs/dbraw/zinc/48/61/58/199486158.db2.gz	FROVIWZCKLULJE-CQSZACIVSA-N	0	3	324.380	2.788	20	30		DFEDHN
C=CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)COC	ZINC000597954754	398727253	/nfs/dbraw/zinc/72/72/53/398727253.db2.gz	MZUNZWQAXDAAIY-NVXWUHKLSA-N	0	3	300.402	2.808	20	30		DFEDHN
C=CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)COC	ZINC000597954756	398727069	/nfs/dbraw/zinc/72/70/69/398727069.db2.gz	MZUNZWQAXDAAIY-RDJZCZTQSA-N	0	3	300.402	2.808	20	30		DFEDHN
N#Cc1c(F)ccc(CN[C@@H]2CCc3nccn3C2)c1Cl	ZINC000365485526	283074506	/nfs/dbraw/zinc/07/45/06/283074506.db2.gz	VBRFWZUAULMQMB-LLVKDONJSA-N	0	3	304.756	2.652	20	30		DFEDHN
CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(CC)C1	ZINC000598038662	398741948	/nfs/dbraw/zinc/74/19/48/398741948.db2.gz	FYCWECBVVRIRMY-KRWDZBQOSA-N	0	3	311.429	2.798	20	30		DFEDHN
N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1F	ZINC000594111438	398745741	/nfs/dbraw/zinc/74/57/41/398745741.db2.gz	NVMGQSMLHOQDGE-CVEARBPZSA-N	0	3	316.380	2.836	20	30		DFEDHN
N#Cc1ccc(C2(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1	ZINC000594195135	398762539	/nfs/dbraw/zinc/76/25/39/398762539.db2.gz	CKKVIMOLRDSCOT-MSOLQXFVSA-N	0	3	323.440	2.723	20	30		DFEDHN
N#C[C@]1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC12CCCC2	ZINC000594197485	398763465	/nfs/dbraw/zinc/76/34/65/398763465.db2.gz	OQHMOLIVJXMJKN-RKVPGOIHSA-N	0	3	301.434	2.594	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000598193991	398767389	/nfs/dbraw/zinc/76/73/89/398767389.db2.gz	CTXFFTUVGCNONS-MJGOQNOKSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCCC1	ZINC000594231385	398770007	/nfs/dbraw/zinc/77/00/07/398770007.db2.gz	SEPZZZFAEZOACI-MRXNPFEDSA-N	0	3	313.445	2.729	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000594243244	398772800	/nfs/dbraw/zinc/77/28/00/398772800.db2.gz	METDJZVQRLPPFU-GJZGRUSLSA-N	0	3	306.454	2.632	20	30		DFEDHN
CC(C)CCOc1cccc(NC(=O)[C@]2(C#N)CCNC2)c1	ZINC000591603642	398775124	/nfs/dbraw/zinc/77/51/24/398775124.db2.gz	DFBYTWWTBSANPY-KRWDZBQOSA-N	0	3	301.390	2.553	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O	ZINC000591611644	398775999	/nfs/dbraw/zinc/77/59/99/398775999.db2.gz	ATWUAUMVNODHIK-IAGOWNOFSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000594257925	398776033	/nfs/dbraw/zinc/77/60/33/398776033.db2.gz	SNLWDXZJMULYFO-PKOBYXMFSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1	ZINC000591607258	398776071	/nfs/dbraw/zinc/77/60/71/398776071.db2.gz	FGMLCISECCXALC-SJORKVTESA-N	0	3	317.408	2.770	20	30		DFEDHN
Cc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1OCCC(C)C	ZINC000591614255	398776201	/nfs/dbraw/zinc/77/62/01/398776201.db2.gz	OUNZAWXQPBYAMP-SFHVURJKSA-N	0	3	315.417	2.862	20	30		DFEDHN
Cc1nc(-c2ccc(NC(=O)[C@]3(C#N)CCNC3)cc2)cs1	ZINC000591590154	398774805	/nfs/dbraw/zinc/77/48/05/398774805.db2.gz	FCSADNIHRDKDCP-INIZCTEOSA-N	0	3	312.398	2.560	20	30		DFEDHN
CC(C)Sc1ccc([C@H](C)NC(=O)[C@@]2(C#N)CCNC2)cc1	ZINC000591607125	398776380	/nfs/dbraw/zinc/77/63/80/398776380.db2.gz	CHQYXOFOGRKWEX-SUMWQHHRSA-N	0	3	317.458	2.868	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCNC1	ZINC000591625836	398776722	/nfs/dbraw/zinc/77/67/22/398776722.db2.gz	FBQBYPOHONUBPP-AWEZNQCLSA-N	0	3	311.307	2.623	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594287925	398779835	/nfs/dbraw/zinc/77/98/35/398779835.db2.gz	CHMZWXZTWDOTPP-QAPCUYQASA-N	0	3	313.445	2.727	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594299699	398781189	/nfs/dbraw/zinc/78/11/89/398781189.db2.gz	NRNLQPYQEKMGLN-CRAIPNDOSA-N	0	3	313.445	2.727	20	30		DFEDHN
N#CCCCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1	ZINC000594329944	398783339	/nfs/dbraw/zinc/78/33/39/398783339.db2.gz	AKYHEXMVZADDCD-UHFFFAOYSA-N	0	3	315.417	2.666	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1ccc(C#N)nc1	ZINC000594361575	398787055	/nfs/dbraw/zinc/78/70/55/398787055.db2.gz	DXVZJXUBCWXGLL-UHFFFAOYSA-N	0	3	309.373	2.623	20	30		DFEDHN
C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C)O1	ZINC000598297043	398786644	/nfs/dbraw/zinc/78/66/44/398786644.db2.gz	SWSLCZVCFYMGDC-VYDXJSESSA-N	0	3	300.402	2.785	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCCC1	ZINC000594373291	398789322	/nfs/dbraw/zinc/78/93/22/398789322.db2.gz	PYLLTWSDOZSDKD-INIZCTEOSA-N	0	3	313.445	2.681	20	30		DFEDHN
N#Cc1ccccc1N1CCCN(CC2CCC(=O)CC2)CC1	ZINC000290085543	283215952	/nfs/dbraw/zinc/21/59/52/283215952.db2.gz	QXIZRKAFSIHGBO-UHFFFAOYSA-N	0	3	311.429	2.830	20	30		DFEDHN
N#CCCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1	ZINC000594421112	398796885	/nfs/dbraw/zinc/79/68/85/398796885.db2.gz	NJNRTDHYPFNPKL-UHFFFAOYSA-N	0	3	322.412	2.967	20	30		DFEDHN
COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](N)CCCCC#N	ZINC000594424899	398797679	/nfs/dbraw/zinc/79/76/79/398797679.db2.gz	DMFGZOYNNZHDSF-DZGCQCFKSA-N	0	3	303.406	2.592	20	30		DFEDHN
COc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1	ZINC000594430227	398799566	/nfs/dbraw/zinc/79/95/66/398799566.db2.gz	XGIAPHFAWONMDH-DLBZAZTESA-N	0	3	315.417	2.674	20	30		DFEDHN
CC(C)n1ncc2ccc(NC(=O)[C@H](N)CCCCC#N)cc21	ZINC000594431552	398799716	/nfs/dbraw/zinc/79/97/16/398799716.db2.gz	NWIJMUNQAWDETB-OAHLLOKOSA-N	0	3	313.405	2.967	20	30		DFEDHN
CCOc1cccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)c1	ZINC000594431234	398799854	/nfs/dbraw/zinc/79/98/54/398799854.db2.gz	JXCHDPVIMAISMV-XJKSGUPXSA-N	0	3	303.406	2.674	20	30		DFEDHN
COc1ccc(C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594431696	398800355	/nfs/dbraw/zinc/80/03/55/398800355.db2.gz	PTESUWFNCMFSQP-INIZCTEOSA-N	0	3	317.433	2.500	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N(CCc1ccc(F)cc1)C1CC1	ZINC000594433199	398800676	/nfs/dbraw/zinc/80/06/76/398800676.db2.gz	DGJPSTXBVGMXSM-KRWDZBQOSA-N	0	3	317.408	2.770	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC[C@H]1SCCc2ccccc21	ZINC000594433002	398800541	/nfs/dbraw/zinc/80/05/41/398800541.db2.gz	IYNAUUCYLHOZNU-HZPDHXFCSA-N	0	3	317.458	2.544	20	30		DFEDHN
Cc1coc(-c2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)n1	ZINC000594434212	398801176	/nfs/dbraw/zinc/80/11/76/398801176.db2.gz	XUTLMYVOQZRZOE-HNNXBMFYSA-N	0	3	312.373	3.000	20	30		DFEDHN
CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(F)c(F)c1	ZINC000594433786	398801457	/nfs/dbraw/zinc/80/14/57/398801457.db2.gz	SPCMPGGVGIFAQZ-CQSZACIVSA-N	0	3	309.360	2.727	20	30		DFEDHN
CC(C)Oc1ccc(F)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594435562	398801568	/nfs/dbraw/zinc/80/15/68/398801568.db2.gz	CPXRQFCSJURXOL-ZDUSSCGKSA-N	0	3	307.369	2.963	20	30		DFEDHN
Cc1c(NC(=O)[C@@H](N)CCCCC#N)cnn1-c1ccccc1	ZINC000594438838	398802320	/nfs/dbraw/zinc/80/23/20/398802320.db2.gz	XLLABDMXJLCGSM-HNNXBMFYSA-N	0	3	311.389	2.531	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1c(F)cccc1N1CCCC1	ZINC000594438922	398802343	/nfs/dbraw/zinc/80/23/43/398802343.db2.gz	QSGGBEDRFMWLKD-CQSZACIVSA-N	0	3	318.396	2.776	20	30		DFEDHN
CC[C@H](c1ccncc1)N(CC)C(=O)[C@H](N)CCCCC#N	ZINC000594437148	398802483	/nfs/dbraw/zinc/80/24/83/398802483.db2.gz	LKCKTUFDJFXJTO-HZPDHXFCSA-N	0	3	302.422	2.792	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1	ZINC000594436799	398802567	/nfs/dbraw/zinc/80/25/67/398802567.db2.gz	JHEVEYWRTPZHBQ-IAGOWNOFSA-N	0	3	314.433	2.501	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCOc2c(F)cccc21	ZINC000594441970	398802945	/nfs/dbraw/zinc/80/29/45/398802945.db2.gz	AIIKDWHXCCGSOI-LSDHHAIUSA-N	0	3	319.380	2.567	20	30		DFEDHN
Cc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594440336	398803127	/nfs/dbraw/zinc/80/31/27/398803127.db2.gz	XRQKZNQMTBXZMC-MSOLQXFVSA-N	0	3	313.445	2.940	20	30		DFEDHN
CCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)CCCCC#N	ZINC000594440151	398803482	/nfs/dbraw/zinc/80/34/82/398803482.db2.gz	VCYHKNQCYFHKLQ-HNNXBMFYSA-N	0	3	309.360	2.725	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000594443520	398804130	/nfs/dbraw/zinc/80/41/30/398804130.db2.gz	QHBNGCBBMHXWKZ-KSZLIROESA-N	0	3	313.445	2.925	20	30		DFEDHN
CC[C@H](CNC(=O)[C@H](N)CCCCC#N)Oc1ccccc1C	ZINC000594445750	398804462	/nfs/dbraw/zinc/80/44/62/398804462.db2.gz	LHZGONOKVDGEPF-HZPDHXFCSA-N	0	3	317.433	2.680	20	30		DFEDHN
CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(C)c1	ZINC000594446382	398804507	/nfs/dbraw/zinc/80/45/07/398804507.db2.gz	RZJKSFJJEWDCKJ-WBVHZDCISA-N	0	3	317.433	2.680	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1	ZINC000594443540	398803661	/nfs/dbraw/zinc/80/36/61/398803661.db2.gz	RANAYOMEQZJKBD-HNNXBMFYSA-N	0	3	321.371	2.524	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccccc1OCC1CC1	ZINC000594447866	398805219	/nfs/dbraw/zinc/80/52/19/398805219.db2.gz	WIQTYIYXTDHUIG-MRXNPFEDSA-N	0	3	315.417	2.503	20	30		DFEDHN
C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H](N)CCCCC#N)C1	ZINC000594447922	398805280	/nfs/dbraw/zinc/80/52/80/398805280.db2.gz	XOXVBVBJUNRPMA-PKOBYXMFSA-N	0	3	313.445	2.978	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCCCn1ccc2ccccc21	ZINC000594446943	398804780	/nfs/dbraw/zinc/80/47/80/398804780.db2.gz	ZUNSUMZZTZLMLZ-MRXNPFEDSA-N	0	3	312.417	2.559	20	30		DFEDHN
COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OC(C)C	ZINC000594456408	398806390	/nfs/dbraw/zinc/80/63/90/398806390.db2.gz	PEOFCIISUVXYNF-CQSZACIVSA-N	0	3	319.405	2.832	20	30		DFEDHN
Cc1ccccc1C[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594457278	398806542	/nfs/dbraw/zinc/80/65/42/398806542.db2.gz	XWFPOZGJYOVXFW-RDJZCZTQSA-N	0	3	301.434	2.796	20	30		DFEDHN
CCCNc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594469546	398807174	/nfs/dbraw/zinc/80/71/74/398807174.db2.gz	YRFHHMKVNCORGX-INIZCTEOSA-N	0	3	302.422	2.536	20	30		DFEDHN
C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NC(C)(C)C	ZINC000594496294	398809336	/nfs/dbraw/zinc/80/93/36/398809336.db2.gz	JQBJQUWDVUJLTC-CYBMUJFWSA-N	0	3	301.434	2.881	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1	ZINC000594500634	398811016	/nfs/dbraw/zinc/81/10/16/398811016.db2.gz	QNFBMALHLJVTRC-MRXNPFEDSA-N	0	3	320.458	2.545	20	30		DFEDHN
C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000594508952	398812493	/nfs/dbraw/zinc/81/24/93/398812493.db2.gz	FOSMSQJNELHREW-KBXIAJHMSA-N	0	3	319.424	2.846	20	30		DFEDHN
CC(C)(C)C(=O)NCCNCc1ccc(C(C)(C)C#N)cc1	ZINC000594498880	398810393	/nfs/dbraw/zinc/81/03/93/398810393.db2.gz	MOGJYPFFHJNXPY-UHFFFAOYSA-N	0	3	301.434	2.740	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(CC2CC2)C1	ZINC000126066848	398810781	/nfs/dbraw/zinc/81/07/81/398810781.db2.gz	GHJRBXUROPHFRI-OAHLLOKOSA-N	0	3	319.474	2.930	20	30		DFEDHN
N#Cc1ccccc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1	ZINC000179500027	199046578	/nfs/dbraw/zinc/04/65/78/199046578.db2.gz	BEDVIPKMPXARON-INIZCTEOSA-N	0	3	307.401	2.933	20	30		DFEDHN
N#Cc1ccccc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	ZINC000179500027	199046579	/nfs/dbraw/zinc/04/65/79/199046579.db2.gz	BEDVIPKMPXARON-INIZCTEOSA-N	0	3	307.401	2.933	20	30		DFEDHN
N#Cc1ccc2ncc(CNC[C@H]3CCC4(CCCC4)O3)n2c1	ZINC000594520793	398815480	/nfs/dbraw/zinc/81/54/80/398815480.db2.gz	BUBJFKGNFXEUGI-MRXNPFEDSA-N	0	3	310.401	2.787	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000051132865	398817633	/nfs/dbraw/zinc/81/76/33/398817633.db2.gz	NJBNFBKATMVFES-RYQLBKOJSA-N	0	3	316.445	2.777	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)Nc1cccc3c1CCNC3)C2	ZINC000594535882	398817372	/nfs/dbraw/zinc/81/73/72/398817372.db2.gz	HFQNYVKBVTWDDB-UHFFFAOYSA-N	0	3	318.380	2.752	20	30		DFEDHN
N#Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1	ZINC000594596708	398827198	/nfs/dbraw/zinc/82/71/98/398827198.db2.gz	BGFZUIHTVSFARW-ZFWWWQNUSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1OC	ZINC000179892801	199092959	/nfs/dbraw/zinc/09/29/59/199092959.db2.gz	BGERVDTWBWXPMF-OAHLLOKOSA-N	0	3	319.401	2.788	20	30		DFEDHN
Cc1noc(C)c1[C@H](C)CNCc1cnc2ccc(C#N)cn12	ZINC000128551746	398829782	/nfs/dbraw/zinc/82/97/82/398829782.db2.gz	RPAQMGKPNABHMF-LLVKDONJSA-N	0	3	309.373	2.704	20	30		DFEDHN
N#CC1(C(=O)NCc2ccccc2CN2CCCCC2)CCC1	ZINC000128595955	398830011	/nfs/dbraw/zinc/83/00/11/398830011.db2.gz	OQVNULBUBQYURV-UHFFFAOYSA-N	0	3	311.429	2.983	20	30		DFEDHN
C[C@H](O)CN(Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1	ZINC000594613813	398833908	/nfs/dbraw/zinc/83/39/08/398833908.db2.gz	DRIPOBJGCWWHNZ-HNNXBMFYSA-N	0	3	324.428	2.809	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1	ZINC000598585464	398836234	/nfs/dbraw/zinc/83/62/34/398836234.db2.gz	DNMSXMAREPQLAK-MSOLQXFVSA-N	0	3	316.445	2.968	20	30		DFEDHN
C=CCNC(=O)CN[C@H](C)[C@H](C)c1nc2ccccc2s1	ZINC000180030368	199109470	/nfs/dbraw/zinc/10/94/70/199109470.db2.gz	BUWNQJQAWAYXIB-NWDGAFQWSA-N	0	3	303.431	2.680	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1	ZINC000180030383	199109713	/nfs/dbraw/zinc/10/97/13/199109713.db2.gz	BUWNQJQAWAYXIB-NEPJUHHUSA-N	0	3	303.431	2.680	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NCc1cccnc1)c1ccccc1	ZINC000180037749	199110258	/nfs/dbraw/zinc/11/02/58/199110258.db2.gz	PVJOWEZKXJGVOI-GOSISDBHSA-N	0	3	309.413	2.995	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC(Cc2ccc(F)c(F)c2)C1	ZINC000598599728	398839327	/nfs/dbraw/zinc/83/93/27/398839327.db2.gz	QGUNIMRWPIJJNJ-AWEZNQCLSA-N	0	3	308.372	2.740	20	30		DFEDHN
Cc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)c(=O)[nH]1	ZINC000076094876	398839786	/nfs/dbraw/zinc/83/97/86/398839786.db2.gz	QCUOTRGESHEHQL-NSHDSACASA-N	0	3	301.371	2.753	20	30		DFEDHN
COc1cc(C)c([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1OC	ZINC000598602302	398839992	/nfs/dbraw/zinc/83/99/92/398839992.db2.gz	MXWHVYWGYRDCRG-UONOGXRCSA-N	0	3	320.433	2.964	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)cc1	ZINC000598615789	398841570	/nfs/dbraw/zinc/84/15/70/398841570.db2.gz	FWAVQSANCVXVQY-CABCVRRESA-N	0	3	310.825	2.654	20	30		DFEDHN
Cc1ncccc1OC[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N	ZINC000598623060	398842447	/nfs/dbraw/zinc/84/24/47/398842447.db2.gz	UKOALURITVWDQP-JKSUJKDBSA-N	0	3	317.433	2.534	20	30		DFEDHN
CCOC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180241614	199135550	/nfs/dbraw/zinc/13/55/50/199135550.db2.gz	QVXILLKPOKAEID-INIZCTEOSA-N	0	3	324.428	2.817	20	30		DFEDHN
COc1cc(CNc2ccc([C@@H]3CNCCO3)cc2)ccc1C#N	ZINC000594739353	398853131	/nfs/dbraw/zinc/85/31/31/398853131.db2.gz	NXMSINLZYVPZNT-IBGZPJMESA-N	0	3	323.396	2.840	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CCC(Cc2ccccc2)CC1	ZINC000052635419	398848222	/nfs/dbraw/zinc/84/82/22/398848222.db2.gz	ABJZFFSNEJVHCD-INIZCTEOSA-N	0	3	313.445	2.702	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCCCC2CCC2)c1	ZINC000594733261	398851190	/nfs/dbraw/zinc/85/11/90/398851190.db2.gz	SFZMGAQIXKMSGW-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)c2c(c1)OCCO2	ZINC000598699182	398857328	/nfs/dbraw/zinc/85/73/28/398857328.db2.gz	CHZGUVVPVDOLRQ-GFCCVEGCSA-N	0	3	324.808	2.502	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccc(Br)s1	ZINC000598699997	398857778	/nfs/dbraw/zinc/85/77/78/398857778.db2.gz	KFAVQAAVSKFCOC-VIFPVBQESA-N	0	3	317.252	2.901	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](CCCC)COC)CC1	ZINC000132213622	398855683	/nfs/dbraw/zinc/85/56/83/398855683.db2.gz	ABFVRTXLORICAL-MRXNPFEDSA-N	0	3	311.470	2.531	20	30		DFEDHN
CC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc(C#N)c1)CC2	ZINC000180498713	199166731	/nfs/dbraw/zinc/16/67/31/199166731.db2.gz	TVVYBVKPJSXQQJ-CZUORRHYSA-N	0	3	309.417	2.939	20	30		DFEDHN
CO[C@H](CNC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1	ZINC000598718216	398860392	/nfs/dbraw/zinc/86/03/92/398860392.db2.gz	CTEBLRFQBOGHGW-LSDHHAIUSA-N	0	3	310.825	2.918	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@@H]2NC[C@H](O)CC(C)(C)C#N	ZINC000598718363	398860456	/nfs/dbraw/zinc/86/04/56/398860456.db2.gz	AHCGKKBMKZERTF-HIFRSBDPSA-N	0	3	318.465	2.906	20	30		DFEDHN
COC[C@H](C)N[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000598784680	398873711	/nfs/dbraw/zinc/87/37/11/398873711.db2.gz	WUCLSSOJCRXPKB-HOTGVXAUSA-N	0	3	317.433	2.563	20	30		DFEDHN
C[C@H](CO[C@H]1CCOC1)NCc1ccc(C2(C#N)CC2)cc1	ZINC000594933194	398875071	/nfs/dbraw/zinc/87/50/71/398875071.db2.gz	ZZZFBROINDUCRR-PBHICJAKSA-N	0	3	300.402	2.525	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H]([C@H](C)O)C2)cc(OC)c1O	ZINC000136849881	398875236	/nfs/dbraw/zinc/87/52/36/398875236.db2.gz	RVIXQIPOVJDQCC-BBRMVZONSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]([C@H](C)O)C2)cc(OC)c1O	ZINC000136849792	398875242	/nfs/dbraw/zinc/87/52/42/398875242.db2.gz	RVIXQIPOVJDQCC-XJKSGUPXSA-N	0	3	305.418	2.722	20	30		DFEDHN
COC[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCO1	ZINC000594939168	398877242	/nfs/dbraw/zinc/87/72/42/398877242.db2.gz	QJDWTGJNFHFIEZ-IRXDYDNUSA-N	0	3	300.402	2.525	20	30		DFEDHN
N#CCCCOc1cccc(CN[C@H]2C[C@H](O)C23CCC3)c1	ZINC000594989551	398887994	/nfs/dbraw/zinc/88/79/94/398887994.db2.gz	USUCXFTVPPNFLL-IRXDYDNUSA-N	0	3	300.402	2.762	20	30		DFEDHN
CO[C@H](CNCc1cnc2ccc(C#N)cn12)C1CCCCC1	ZINC000594998342	398888738	/nfs/dbraw/zinc/88/87/38/398888738.db2.gz	WTJJQGBFIKAODC-QGZVFWFLSA-N	0	3	312.417	2.891	20	30		DFEDHN
Cc1cc(-c2ccccc2CN2CCN(C)CC2)cnc1C#N	ZINC000598929944	398893218	/nfs/dbraw/zinc/89/32/18/398893218.db2.gz	PRCJZIZFBZEGTP-UHFFFAOYSA-N	0	3	306.413	2.676	20	30		DFEDHN
COC[C@@H](CC1CCOCC1)NCc1ccc(C#N)c(F)c1	ZINC000595049734	398898400	/nfs/dbraw/zinc/89/84/00/398898400.db2.gz	DDFZUDVYIFDFKX-MRXNPFEDSA-N	0	3	306.381	2.619	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CNC2(c3ccccc3)CC2)cc1	ZINC000077377964	398900998	/nfs/dbraw/zinc/90/09/98/398900998.db2.gz	TVNSSNXYHKTWCZ-KRWDZBQOSA-N	0	3	308.381	2.577	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1c(C)[nH]c(C(=O)OCC)c1C	ZINC000598977767	398901612	/nfs/dbraw/zinc/90/16/12/398901612.db2.gz	DIPSEAYWTUTIJI-CABCVRRESA-N	0	3	306.406	2.631	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)C1	ZINC000054538283	398902300	/nfs/dbraw/zinc/90/23/00/398902300.db2.gz	DIMAIVHNEXMJHH-CQSZACIVSA-N	0	3	316.405	2.561	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000077458205	398904482	/nfs/dbraw/zinc/90/44/82/398904482.db2.gz	RUFQNEJUXIPHOS-CVEARBPZSA-N	0	3	323.458	2.697	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)cc1	ZINC000599020914	398908621	/nfs/dbraw/zinc/90/86/21/398908621.db2.gz	VSKACNBMNBCHTJ-QGZVFWFLSA-N	0	3	311.429	2.731	20	30		DFEDHN
C=CCCSCCNC(=O)Nc1ccc2c(c1F)CCNC2	ZINC000595236788	398912162	/nfs/dbraw/zinc/91/21/62/398912162.db2.gz	NZDFCWJIQFNIEW-UHFFFAOYSA-N	0	3	323.437	2.902	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000595258017	398913656	/nfs/dbraw/zinc/91/36/56/398913656.db2.gz	PVXCDHVUPBNOCK-AEGPPILISA-N	0	3	305.809	2.723	20	30		DFEDHN
CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCCC#N	ZINC000595252003	398912971	/nfs/dbraw/zinc/91/29/71/398912971.db2.gz	ZCNLMZHHLIVURP-HZPDHXFCSA-N	0	3	305.397	2.674	20	30		DFEDHN
COc1cccc(C2(NC(=O)[C@H](N)CCCCC#N)CCC2)c1	ZINC000595260112	398914090	/nfs/dbraw/zinc/91/40/90/398914090.db2.gz	VDRLVJRYKDHFRC-MRXNPFEDSA-N	0	3	315.417	2.602	20	30		DFEDHN
CC1(C)C[C@@H](N2CCCN(Cc3ccc(C#N)cc3)CC2)CO1	ZINC000595290327	398916804	/nfs/dbraw/zinc/91/68/04/398916804.db2.gz	VKWDQPHPKLXAJY-GOSISDBHSA-N	0	3	313.445	2.633	20	30		DFEDHN
C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1ccc(C#N)cc1	ZINC000599083936	398918530	/nfs/dbraw/zinc/91/85/30/398918530.db2.gz	PFTKXXXPNIREPG-NJAPINKUSA-N	0	3	309.369	2.840	20	30		DFEDHN
CC1(C)C[C@@H](N2CCC(Oc3cccc(C#N)c3)CC2)CO1	ZINC000595303341	398919770	/nfs/dbraw/zinc/91/97/70/398919770.db2.gz	OYPGKLACQMNDNP-OAHLLOKOSA-N	0	3	300.402	2.969	20	30		DFEDHN
C[C@@H]1CC[C@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1	ZINC000188576250	200268664	/nfs/dbraw/zinc/26/86/64/200268664.db2.gz	WGTLVUOJXRXDJJ-RDTXWAMCSA-N	0	3	300.402	2.969	20	30		DFEDHN
C[C@H]1CC[C@@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1	ZINC000188576319	200269235	/nfs/dbraw/zinc/26/92/35/200269235.db2.gz	WGTLVUOJXRXDJJ-KSSFIOAISA-N	0	3	300.402	2.969	20	30		DFEDHN
CC[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O	ZINC000595339639	398924375	/nfs/dbraw/zinc/92/43/75/398924375.db2.gz	ZOPNBCDRDOCESW-RBUKOAKNSA-N	0	3	313.445	2.822	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2cccc(COC)c2)CC1	ZINC000189279036	200374891	/nfs/dbraw/zinc/37/48/91/200374891.db2.gz	TYEXJNYXPVSZEV-UHFFFAOYSA-N	0	3	316.445	2.532	20	30		DFEDHN
CC[C@H](CC(F)F)CN1CCN(c2cccc(C#N)n2)CC1	ZINC000595435616	398938042	/nfs/dbraw/zinc/93/80/42/398938042.db2.gz	RZFHKYGXSZNKDF-CYBMUJFWSA-N	0	3	308.376	2.757	20	30		DFEDHN
CS[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@@H]1N1CCCC1	ZINC000595434096	398937467	/nfs/dbraw/zinc/93/74/67/398937467.db2.gz	XVNAWKLSVLSEGH-YESZJQIVSA-N	0	3	301.459	2.763	20	30		DFEDHN
N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCN1C1CCCC1)C2	ZINC000599203691	398939514	/nfs/dbraw/zinc/93/95/14/398939514.db2.gz	NYTVBIKEZPPGSR-QGZVFWFLSA-N	0	3	324.428	2.600	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C	ZINC000595448658	398940709	/nfs/dbraw/zinc/94/07/09/398940709.db2.gz	LXAAPQGJMYZJID-GJZGRUSLSA-N	0	3	313.511	2.858	20	30		DFEDHN
CN(CCOc1ccccc1Cl)C[C@H](O)CC1(C#N)CC1	ZINC000599250323	398943269	/nfs/dbraw/zinc/94/32/69/398943269.db2.gz	MOJYNKICQWPLNT-CYBMUJFWSA-N	0	3	308.809	2.705	20	30		DFEDHN
COCCN(C[C@H](O)CC1(C#N)CC1)[C@H](C)c1ccccc1	ZINC000599272305	398945664	/nfs/dbraw/zinc/94/56/64/398945664.db2.gz	RRFKJEVBQDPLKM-NVXWUHKLSA-N	0	3	302.418	2.751	20	30		DFEDHN
CC(C)N(Cc1ccco1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599271879	398945642	/nfs/dbraw/zinc/94/56/42/398945642.db2.gz	JHCAPDBDWGKJDC-OAHLLOKOSA-N	0	3	306.406	2.561	20	30		DFEDHN
C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1	ZINC000595476592	398946466	/nfs/dbraw/zinc/94/64/66/398946466.db2.gz	SCFWUDLPMUVMLO-MDZRGWNJSA-N	0	3	314.429	2.759	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NCC[C@H]1Sc2ccccc2NC1=O	ZINC000595481939	398947575	/nfs/dbraw/zinc/94/75/75/398947575.db2.gz	LJLYIHJVGHVJCQ-YWPYICTPSA-N	0	3	301.415	2.771	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599294168	398948997	/nfs/dbraw/zinc/94/89/97/398948997.db2.gz	BHBGFEYMHRZVNR-NVXWUHKLSA-N	0	3	314.429	2.677	20	30		DFEDHN
N#CC1(C[C@@H](O)CN2CCSC[C@H]2c2ccccc2)CC1	ZINC000599294039	398949193	/nfs/dbraw/zinc/94/91/93/398949193.db2.gz	AECXFMCXADZDEJ-CVEARBPZSA-N	0	3	302.443	2.831	20	30		DFEDHN
CC[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1F	ZINC000191284835	200662434	/nfs/dbraw/zinc/66/24/34/200662434.db2.gz	YSKCNIKAJRYOFQ-HNNXBMFYSA-N	0	3	301.365	2.983	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(OC)c(C#N)c1	ZINC000272005151	209377196	/nfs/dbraw/zinc/37/71/96/209377196.db2.gz	IXWWRNDCJJXVQB-YJBOKZPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cc1OC	ZINC000271973378	209351158	/nfs/dbraw/zinc/35/11/58/209351158.db2.gz	CPRJJXMLKKDZRD-MAUKXSAKSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1	ZINC000599332343	398955576	/nfs/dbraw/zinc/95/55/76/398955576.db2.gz	TVYDJMHMROVXHR-MRXNPFEDSA-N	0	3	309.417	2.858	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC[C@@H](Oc3ccccc3Cl)C2)CC1	ZINC000599336182	398956034	/nfs/dbraw/zinc/95/60/34/398956034.db2.gz	IEQMOSSGFZQGGX-UONOGXRCSA-N	0	3	320.820	2.848	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1	ZINC000599341966	398957192	/nfs/dbraw/zinc/95/71/92/398957192.db2.gz	FZFDQKUXIIPFAF-INIZCTEOSA-N	0	3	306.450	2.736	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccc(C#N)c1	ZINC000599349741	398958334	/nfs/dbraw/zinc/95/83/34/398958334.db2.gz	RKXYYUUKHBTXOO-RDTXWAMCSA-N	0	3	321.380	2.520	20	30		DFEDHN
N#Cc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1	ZINC000078484129	398960080	/nfs/dbraw/zinc/96/00/80/398960080.db2.gz	RQZQSYDQUVCLBS-UHFFFAOYSA-N	0	3	311.429	2.783	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1	ZINC000595547390	398964697	/nfs/dbraw/zinc/96/46/97/398964697.db2.gz	UANAJTRIOQKVDO-LSDHHAIUSA-N	0	3	313.511	2.715	20	30		DFEDHN
CN(CC1(C#N)CC1)[C@@H]1CCCC[C@H]1N(C)CC1(C#N)CC1	ZINC000613383341	398967350	/nfs/dbraw/zinc/96/73/50/398967350.db2.gz	AKRONHIABSPCJU-HZPDHXFCSA-N	0	3	300.450	2.769	20	30		DFEDHN
CN(CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1N(C)CC1(C#N)CC1	ZINC000613383342	398967955	/nfs/dbraw/zinc/96/79/55/398967955.db2.gz	AKRONHIABSPCJU-IYBDPMFKSA-N	0	3	300.450	2.769	20	30		DFEDHN
COCCN1CCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N	ZINC000613420589	398978057	/nfs/dbraw/zinc/97/80/57/398978057.db2.gz	ZTIHLYCISILXJK-OAHLLOKOSA-N	0	3	316.449	2.773	20	30		DFEDHN
COc1cccc([C@@H](CNc2nc(C)ccc2C#N)N(C)C)c1	ZINC000194308576	201199165	/nfs/dbraw/zinc/19/91/65/201199165.db2.gz	VVYMBVQTHUCPNY-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
C=CCOc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1	ZINC000056595140	398981608	/nfs/dbraw/zinc/98/16/08/398981608.db2.gz	FGGAEWUGTXVSBI-UHFFFAOYSA-N	0	3	315.417	3.000	20	30		DFEDHN
C=CCCC(=O)N(C)C[C@H]1CCCN(CC)[C@H]1c1cnn(C)c1	ZINC000618061957	398991635	/nfs/dbraw/zinc/99/16/35/398991635.db2.gz	VPPQWTZAZZMSKE-CRAIPNDOSA-N	0	3	318.465	2.618	20	30		DFEDHN
Cc1ncc(CNC2CCN(Cc3cccc(C#N)c3)CC2)o1	ZINC000600176339	398990302	/nfs/dbraw/zinc/99/03/02/398990302.db2.gz	LFNYQFGOANEQDV-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
COc1cccc(C2(NC[C@H](O)CC3(C#N)CC3)CCC2)c1	ZINC000599481351	398992267	/nfs/dbraw/zinc/99/22/67/398992267.db2.gz	KSLPBFLEINYHDQ-OAHLLOKOSA-N	0	3	300.402	2.719	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195305554	201378165	/nfs/dbraw/zinc/37/81/65/201378165.db2.gz	PGUARRXSEHGDSN-XHSDSOJGSA-N	0	3	301.434	2.660	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000595610290	398997899	/nfs/dbraw/zinc/99/78/99/398997899.db2.gz	VSPGUVHPZLVJLE-UONOGXRCSA-N	0	3	308.809	2.705	20	30		DFEDHN
N#CC[C@@H]1CCCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000595622456	399005810	/nfs/dbraw/zinc/00/58/10/399005810.db2.gz	AUXFXIUVAYKBIQ-KRWDZBQOSA-N	0	3	313.445	2.644	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1	ZINC000595623664	399007937	/nfs/dbraw/zinc/00/79/37/399007937.db2.gz	WPIAIBPXSHZCLQ-DLBZAZTESA-N	0	3	311.429	2.774	20	30		DFEDHN
CC1(C)C[C@@H](N(CCOCCC#N)Cc2ccccc2)CO1	ZINC000595637953	399013416	/nfs/dbraw/zinc/01/34/16/399013416.db2.gz	OCDFUTULWRUMEE-QGZVFWFLSA-N	0	3	302.418	2.986	20	30		DFEDHN
C[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1cccc(C#N)c1	ZINC000271805426	209232646	/nfs/dbraw/zinc/23/26/46/209232646.db2.gz	LDAIKAMPBCPHKI-DYVFJYSZSA-N	0	3	314.360	2.788	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2ccc3ccccc3c2)CC1	ZINC000057155348	399018349	/nfs/dbraw/zinc/01/83/49/399018349.db2.gz	RTZHRCHWAACWBG-UHFFFAOYSA-N	0	3	306.409	2.801	20	30		DFEDHN
CC1(C)CCC[C@](CO)(NCc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000599594831	399025476	/nfs/dbraw/zinc/02/54/76/399025476.db2.gz	LYAZLWJQNJQJCR-KRWDZBQOSA-N	0	3	317.389	2.887	20	30		DFEDHN
CC1(C)CCC[C@@](CO)(NCc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000599594833	399025954	/nfs/dbraw/zinc/02/59/54/399025954.db2.gz	LYAZLWJQNJQJCR-QGZVFWFLSA-N	0	3	317.389	2.887	20	30		DFEDHN
COc1cc(C#N)ccc1CN[C@]1(CO)CCCC(C)(C)C1	ZINC000599594920	399026068	/nfs/dbraw/zinc/02/60/68/399026068.db2.gz	NBFZDPWYCZCIRS-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
COc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c(OC)c1	ZINC000599594955	399026088	/nfs/dbraw/zinc/02/60/88/399026088.db2.gz	CSZLUGVOUSNONE-STQMWFEESA-N	0	3	306.406	2.655	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H](C)C#N)c1ccccc1	ZINC000079224011	399027269	/nfs/dbraw/zinc/02/72/69/399027269.db2.gz	IHMGNUUMOPCXDV-RDJZCZTQSA-N	0	3	316.449	2.871	20	30		DFEDHN
C=CCCCN(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000605677215	399039389	/nfs/dbraw/zinc/03/93/89/399039389.db2.gz	WGKHADQBBSIZSC-QGZVFWFLSA-N	0	3	301.434	2.718	20	30		DFEDHN
C[C@@H](C#N)N(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1	ZINC000595708921	399049075	/nfs/dbraw/zinc/04/90/75/399049075.db2.gz	ALTVLNDBCCIKOL-QFBILLFUSA-N	0	3	313.445	2.654	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000079495771	399049837	/nfs/dbraw/zinc/04/98/37/399049837.db2.gz	PECSITHQQUAEMS-PBHICJAKSA-N	0	3	316.449	2.895	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000595732239	399062126	/nfs/dbraw/zinc/06/21/26/399062126.db2.gz	DRPGUHPMYDHNQH-AEFFLSMTSA-N	0	3	305.466	2.943	20	30		DFEDHN
C[C@@H](NCCn1cc(Br)cn1)c1cccc(C#N)c1	ZINC000271766902	209197200	/nfs/dbraw/zinc/19/72/00/209197200.db2.gz	CCNXFXOEICXMHL-LLVKDONJSA-N	0	3	319.206	2.868	20	30		DFEDHN
N#Cc1cccc(C2(NC[C@@H]3CCCCO3)CCOCC2)c1	ZINC000595764625	399075677	/nfs/dbraw/zinc/07/56/77/399075677.db2.gz	JRLKOVYLCHBQNR-KRWDZBQOSA-N	0	3	300.402	2.723	20	30		DFEDHN
N#Cc1cccc(C2(NCCO[C@H]3CC3(F)F)CCOCC2)c1	ZINC000595769573	399077337	/nfs/dbraw/zinc/07/73/37/399077337.db2.gz	SHVUVRZVVANJKL-HNNXBMFYSA-N	0	3	322.355	2.578	20	30		DFEDHN
Cc1cc(C)n(CCNC2(c3cccc(C#N)c3)CCOCC2)n1	ZINC000595770221	399077391	/nfs/dbraw/zinc/07/73/91/399077391.db2.gz	VVWPUTCLVMBVST-UHFFFAOYSA-N	0	3	324.428	2.667	20	30		DFEDHN
Cc1nsc(NCc2ccc(OCCN(C)C)cc2)c1C#N	ZINC000288185325	220003660	/nfs/dbraw/zinc/00/36/60/220003660.db2.gz	RLQHIEIABQYKCI-UHFFFAOYSA-N	0	3	316.430	2.876	20	30		DFEDHN
CC(=O)Nc1ccn([C@H]2CCN(CCCCC(C)(C)C#N)C2)n1	ZINC000618307230	399080229	/nfs/dbraw/zinc/08/02/29/399080229.db2.gz	STTLNZCYSDIUFV-HNNXBMFYSA-N	0	3	317.437	2.808	20	30		DFEDHN
CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000275203420	212194885	/nfs/dbraw/zinc/19/48/85/212194885.db2.gz	IJHVNYOUNPENCG-UONOGXRCSA-N	0	3	321.446	2.722	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(OC(F)F)c1	ZINC000595781497	399082943	/nfs/dbraw/zinc/08/29/43/399082943.db2.gz	LGBFSGIVKGTDAO-UONOGXRCSA-N	0	3	308.328	2.553	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)N1CCN(c2ccncc2)CC1	ZINC000058453401	399083257	/nfs/dbraw/zinc/08/32/57/399083257.db2.gz	QBTXSBNKMODIEY-UHFFFAOYSA-N	0	3	321.384	2.616	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182823281	335003492	/nfs/dbraw/zinc/00/34/92/335003492.db2.gz	UJZVNKGHPSQCFI-STQMWFEESA-N	0	3	317.355	2.866	20	30		DFEDHN
C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)CC1	ZINC000595820690	399098209	/nfs/dbraw/zinc/09/82/09/399098209.db2.gz	UYYGCYOOKIQKSX-MLVVQWTHSA-N	0	3	303.381	2.591	20	30		DFEDHN
CC(C(=O)Nc1ncccc1OCCCC#N)C(F)(F)F	ZINC000079939220	399097799	/nfs/dbraw/zinc/09/77/99/399097799.db2.gz	XKNFFVMIZRAMTQ-SECBINFHSA-N	0	3	301.268	2.901	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@H](C3CCC3)C2)c1	ZINC000595831532	399103662	/nfs/dbraw/zinc/10/36/62/399103662.db2.gz	FBYXZKBRPQRHDE-SFHVURJKSA-N	0	3	311.429	2.687	20	30		DFEDHN
C#Cc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2CC)cc1	ZINC000284338841	335011310	/nfs/dbraw/zinc/01/13/10/335011310.db2.gz	XTDXWMKOIKVJAM-ROUUACIJSA-N	0	3	309.413	2.894	20	30		DFEDHN
CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)CCCCCC#N)C1	ZINC000600662326	399111146	/nfs/dbraw/zinc/11/11/46/399111146.db2.gz	JDUSANZOBRGTQY-YESZJQIVSA-N	0	3	321.465	2.561	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@H](COC)C2)cc(OC)c1O	ZINC000093337625	193234089	/nfs/dbraw/zinc/23/40/89/193234089.db2.gz	HRRMINQGHCDVQJ-AWEZNQCLSA-N	0	3	305.418	2.988	20	30		DFEDHN
CC(C)(C)n1ncc2c1CCC[C@@H]2NC[C@@H](O)CC1(C#N)CC1	ZINC000600721489	399124464	/nfs/dbraw/zinc/12/44/64/399124464.db2.gz	MQLXFRKTWFJJAD-ZFWWWQNUSA-N	0	3	316.449	2.660	20	30		DFEDHN
CO[C@@H](CNC[C@@H](O)CC1(C#N)CC1)c1ccccc1Cl	ZINC000600728679	399126304	/nfs/dbraw/zinc/12/63/04/399126304.db2.gz	AZJZBLHWTTZCJR-WFASDCNBSA-N	0	3	308.809	2.672	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1OC	ZINC000093813794	193311432	/nfs/dbraw/zinc/31/14/32/193311432.db2.gz	VEHKZZIBHIZQSL-GOSISDBHSA-N	0	3	319.401	2.645	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCCOc3c(F)cccc32)CC1	ZINC000600730573	399128170	/nfs/dbraw/zinc/12/81/70/399128170.db2.gz	HXUIJLBCDWPDQE-WFASDCNBSA-N	0	3	304.365	2.684	20	30		DFEDHN
N#CC1(C[C@@H](O)CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1	ZINC000600735184	399128995	/nfs/dbraw/zinc/12/89/95/399128995.db2.gz	ISNIOFAIZLNEDS-PWSUYJOCSA-N	0	3	310.319	2.736	20	30		DFEDHN
Cc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1Br	ZINC000600735193	399130223	/nfs/dbraw/zinc/13/02/23/399130223.db2.gz	ISZLHZPFVBVAIC-ZDUSSCGKSA-N	0	3	323.234	2.902	20	30		DFEDHN
CC[C@H](CC(F)(F)F)NC[C@H](O)COc1ccccc1C#N	ZINC000600736139	399130295	/nfs/dbraw/zinc/13/02/95/399130295.db2.gz	QVPZEIIYPPHIAL-OLZOCXBDSA-N	0	3	316.323	2.619	20	30		DFEDHN
COc1ccc(C#N)cc1CN1C[C@]23COC[C@@]2(C1)CCCC3	ZINC000595910785	399131804	/nfs/dbraw/zinc/13/18/04/399131804.db2.gz	RUJYARVUHCRUCG-KDURUIRLSA-N	0	3	312.413	2.959	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000060536056	399135653	/nfs/dbraw/zinc/13/56/53/399135653.db2.gz	NFBPVLMIIHRLLN-UHFFFAOYSA-N	0	3	313.445	2.554	20	30		DFEDHN
C[C@@]1(CN2CCN(c3ccccc3C#N)CC2)CCCS1	ZINC000600113041	399140683	/nfs/dbraw/zinc/14/06/83/399140683.db2.gz	XORGASVEQZXYGZ-KRWDZBQOSA-N	0	3	301.459	2.966	20	30		DFEDHN
N#Cc1ccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)o1	ZINC000600769787	399141171	/nfs/dbraw/zinc/14/11/71/399141171.db2.gz	RAWIMDWDCAZJCP-MRXNPFEDSA-N	0	3	301.777	2.951	20	30		DFEDHN
CC[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)N(CC)CC	ZINC000600783306	399144551	/nfs/dbraw/zinc/14/45/51/399144551.db2.gz	RUMGIDZAFAWSRO-SFHVURJKSA-N	0	3	313.445	2.758	20	30		DFEDHN
Cc1ccsc1[C@@H](Cc1ccccc1)NCC(=O)NCC#N	ZINC000184953730	399158723	/nfs/dbraw/zinc/15/87/23/399158723.db2.gz	SGURQWVJCYYIPD-OAHLLOKOSA-N	0	3	313.426	2.570	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C	ZINC000265023436	204350238	/nfs/dbraw/zinc/35/02/38/204350238.db2.gz	YRVWBEVRFOZOSG-CABCVRRESA-N	0	3	300.402	2.560	20	30		DFEDHN
C#CC[C@@H](NC[C@@H](O)COCc1cccs1)c1ccccc1	ZINC000271734801	209167470	/nfs/dbraw/zinc/16/74/70/209167470.db2.gz	TUJHWPCJPSJIOL-SJLPKXTDSA-N	0	3	315.438	2.980	20	30		DFEDHN
CNC(=O)C[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000271736562	209169311	/nfs/dbraw/zinc/16/93/11/209169311.db2.gz	PMLVEAQYWKLSGD-AWEZNQCLSA-N	0	3	307.397	2.839	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCN(C4CC4)C3)c2c1	ZINC000596086951	399169018	/nfs/dbraw/zinc/16/90/18/399169018.db2.gz	CRQQZDBHQZJYHG-OAHLLOKOSA-N	0	3	306.413	2.794	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](C2(C)OCCO2)C1	ZINC000183238094	335017158	/nfs/dbraw/zinc/01/71/58/335017158.db2.gz	XDYGLLHPCHKVOR-QGZVFWFLSA-N	0	3	315.413	2.674	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1ccccc1CC#N)Cc1ccccc1	ZINC000600965121	399189323	/nfs/dbraw/zinc/18/93/23/399189323.db2.gz	KLSIUKIQDUALCO-GOSISDBHSA-N	0	3	321.424	2.655	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000596143792	399189447	/nfs/dbraw/zinc/18/94/47/399189447.db2.gz	AGQZWVFOIAMHQO-DOMZBBRYSA-N	0	3	315.446	2.848	20	30		DFEDHN
N#CCc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000600970979	399191119	/nfs/dbraw/zinc/19/11/19/399191119.db2.gz	SAXFAGNUXSVEQA-GOSISDBHSA-N	0	3	319.408	2.757	20	30		DFEDHN
N#Cc1cc(Cl)ccc1-n1cc(CCN2CCCCC2)nn1	ZINC000600976053	399193309	/nfs/dbraw/zinc/19/33/09/399193309.db2.gz	NUTLBDOQSGHQGI-UHFFFAOYSA-N	0	3	315.808	2.821	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N2CCCN(C)C[C@H]2CC)cc1	ZINC000614341567	399214462	/nfs/dbraw/zinc/21/44/62/399214462.db2.gz	RHPQPKDUAPDXKS-QGZVFWFLSA-N	0	3	316.445	2.737	20	30		DFEDHN
N#Cc1cccc(OC[C@@]2(O)CCN(Cc3ccccc3)C2)c1	ZINC000601069204	399218075	/nfs/dbraw/zinc/21/80/75/399218075.db2.gz	KLEQBUZYRXMDTC-LJQANCHMSA-N	0	3	308.381	2.574	20	30		DFEDHN
CS[C@H]1CN(c2ncc(C#N)c3ccsc32)C[C@@H]1N(C)C	ZINC000601134591	399237437	/nfs/dbraw/zinc/23/74/37/399237437.db2.gz	DVTQIZSWFVUSCE-STQMWFEESA-N	0	3	318.471	2.650	20	30		DFEDHN
COc1ccccc1C[C@@](C)(CO)NCc1ccc(C#N)c(C)c1	ZINC000601154006	399242335	/nfs/dbraw/zinc/24/23/35/399242335.db2.gz	WMVPEHLPZJLMAD-FQEVSTJZSA-N	0	3	324.424	2.959	20	30		DFEDHN
COc1ccccc1C[C@@](C)(CO)NCc1cc(C#N)cs1	ZINC000601153815	399242585	/nfs/dbraw/zinc/24/25/85/399242585.db2.gz	UAOGYRVODWOWOQ-KRWDZBQOSA-N	0	3	316.426	2.712	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CC[C@H]1CCOC1)C(C)C	ZINC000267563866	206147876	/nfs/dbraw/zinc/14/78/76/206147876.db2.gz	HASZVNFQNVTYKI-IRXDYDNUSA-N	0	3	308.466	2.618	20	30		DFEDHN
C#CCCCC(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1	ZINC000192084028	335025378	/nfs/dbraw/zinc/02/53/78/335025378.db2.gz	IKXQKYBPONUSAH-UHFFFAOYSA-N	0	3	313.445	2.959	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)C(C)C	ZINC000601165377	399245410	/nfs/dbraw/zinc/24/54/10/399245410.db2.gz	NPPBIPPJMQYAFA-INIZCTEOSA-N	0	3	315.461	2.885	20	30		DFEDHN
N#CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC2(CC2)C1	ZINC000601179345	399249255	/nfs/dbraw/zinc/24/92/55/399249255.db2.gz	QWLBENGYBSSODJ-QGZVFWFLSA-N	0	3	323.440	2.851	20	30		DFEDHN
CN(C)[C@H](CNC(=O)NCC(C)(C)CCC#N)c1ccccc1	ZINC000563816761	335028475	/nfs/dbraw/zinc/02/84/75/335028475.db2.gz	ONVRFJBWSCGLJN-MRXNPFEDSA-N	0	3	316.449	2.918	20	30		DFEDHN
C=CC[C@H](C)NC(=O)Nc1ccc(OCCN(C)C)c(OC)c1	ZINC000417649309	335030125	/nfs/dbraw/zinc/03/01/25/335030125.db2.gz	JHYZHSNPLDMFGW-ZDUSSCGKSA-N	0	3	321.421	2.722	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](C1CC1)N1CCCC1	ZINC000618891658	399253143	/nfs/dbraw/zinc/25/31/43/399253143.db2.gz	BMNUYALROQGGGW-MSOLQXFVSA-N	0	3	309.413	2.536	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N1[C@H](C)CC[C@@H]1C	ZINC000618893579	399253503	/nfs/dbraw/zinc/25/35/03/399253503.db2.gz	PFTIWDOIYQZGRT-AHXJXLJNSA-N	0	3	311.429	2.923	20	30		DFEDHN
N#Cc1cccc(NC(=O)N2CCCN(c3ccncc3)CC2)c1	ZINC000601251216	399263971	/nfs/dbraw/zinc/26/39/71/399263971.db2.gz	SWNVIVVRKQGQAE-UHFFFAOYSA-N	0	3	321.384	2.697	20	30		DFEDHN
Cc1nc2c(n1[C@@H]1CCN(Cc3ccnc(C#N)c3)C1)CCCC2	ZINC000614742727	399265383	/nfs/dbraw/zinc/26/53/83/399265383.db2.gz	TTWVXFQSRGKHGQ-QGZVFWFLSA-N	0	3	321.428	2.784	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2OC)C1	ZINC000286651590	335036587	/nfs/dbraw/zinc/03/65/87/335036587.db2.gz	ZJQZKPKENSXPFY-HZPDHXFCSA-N	0	3	305.418	2.866	20	30		DFEDHN
C[C@@H](NCCOCC(=O)OC(C)(C)C)c1ccc(C#N)cc1	ZINC000601294432	399272190	/nfs/dbraw/zinc/27/21/90/399272190.db2.gz	OGSKYDGINPIZTL-CYBMUJFWSA-N	0	3	304.390	2.567	20	30		DFEDHN
CCOC(=O)C(C)(C)CCC[C@H](C)N1CCN(CCC#N)CC1	ZINC000601316544	399276344	/nfs/dbraw/zinc/27/63/44/399276344.db2.gz	MDMJBPHXFOEGAD-INIZCTEOSA-N	0	3	323.481	2.666	20	30		DFEDHN
Cc1ccc2[nH]c3c(c2c1)C[C@H](N1CCN(CCC#N)CC1)CC3	ZINC000601317117	399276422	/nfs/dbraw/zinc/27/64/22/399276422.db2.gz	WPAZMSAIFXCPFU-MRXNPFEDSA-N	0	3	322.456	2.865	20	30		DFEDHN
C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)[C@@H](c1ccccc1)N(C)C	ZINC000601456617	399291342	/nfs/dbraw/zinc/29/13/42/399291342.db2.gz	QIWFPJIGJWUQFT-ZBFHGGJFSA-N	0	3	311.429	2.878	20	30		DFEDHN
N#Cc1ccccc1OCCN1CCc2ccc(O)cc2CC1	ZINC000609133370	399304595	/nfs/dbraw/zinc/30/45/95/399304595.db2.gz	SILZQLXVRKNJJB-UHFFFAOYSA-N	0	3	308.381	2.743	20	30		DFEDHN
N#CCN1CCC(NCc2nc(-c3ccccc3)cs2)CC1	ZINC000609334884	399314392	/nfs/dbraw/zinc/31/43/92/399314392.db2.gz	JXDKRLUNKSEPKK-UHFFFAOYSA-N	0	3	312.442	2.888	20	30		DFEDHN
CN1CCC(N(C(=O)c2ccc(C#N)cn2)c2ccccc2)CC1	ZINC000609566739	399323157	/nfs/dbraw/zinc/32/31/57/399323157.db2.gz	IPJXETXGFHDKQU-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)c1cc2ccccc2n1CC#N	ZINC000609530362	399321447	/nfs/dbraw/zinc/32/14/47/399321447.db2.gz	INJNGNYZIWSEEH-INIZCTEOSA-N	0	3	324.428	2.769	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC(F)(F)C2)cc1	ZINC000619298571	399326425	/nfs/dbraw/zinc/32/64/25/399326425.db2.gz	VWFXBSIJYFIXAQ-KGLIPLIRSA-N	0	3	303.312	2.545	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC(CC(F)(F)F)C2)cc1	ZINC000619381881	399335457	/nfs/dbraw/zinc/33/54/57/399335457.db2.gz	GXXRAFCTXKCNET-AWEZNQCLSA-N	0	3	321.302	2.651	20	30		DFEDHN
C#CCN(C(=O)NCC(C)(C)N[C@H](C)c1ccccc1)C1CC1	ZINC000274065554	211322943	/nfs/dbraw/zinc/32/29/43/211322943.db2.gz	DYDITDYKVXFMOQ-OAHLLOKOSA-N	0	3	313.445	2.923	20	30		DFEDHN
N#CC[C@H](CC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1	ZINC000619435591	399345786	/nfs/dbraw/zinc/34/57/86/399345786.db2.gz	ALSDYUHCAYXBCK-MSOLQXFVSA-N	0	3	311.429	2.674	20	30		DFEDHN
CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1	ZINC000284890987	218224732	/nfs/dbraw/zinc/22/47/32/218224732.db2.gz	UHCSQHMCZWTNCH-HNNXBMFYSA-N	0	3	303.381	2.578	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1	ZINC000610408271	399365228	/nfs/dbraw/zinc/36/52/28/399365228.db2.gz	QVCDKIFMAVYMMC-KEYYUXOJSA-N	0	3	314.433	2.743	20	30		DFEDHN
COc1ccc(CN(C)CCCC2(C#N)CCOCC2)cn1	ZINC000619621051	399368546	/nfs/dbraw/zinc/36/85/46/399368546.db2.gz	PRRHEWUFKVMKKM-UHFFFAOYSA-N	0	3	303.406	2.623	20	30		DFEDHN
CC(C)[C@H]1N(C[C@@H](O)COc2ccccc2C#N)CC12CCC2	ZINC000601958946	399369282	/nfs/dbraw/zinc/36/92/82/399369282.db2.gz	PJOIIBDMXYAHIN-SJLPKXTDSA-N	0	3	314.429	2.808	20	30		DFEDHN
CCOc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1	ZINC000615697533	399374583	/nfs/dbraw/zinc/37/45/83/399374583.db2.gz	KAQCLGPQVGNNPI-KBPBESRZSA-N	0	3	315.417	2.687	20	30		DFEDHN
C[C@@H](NCc1ccnc(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000615795608	399384499	/nfs/dbraw/zinc/38/44/99/399384499.db2.gz	UBPHKXVOGATVFZ-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1	ZINC000615807120	399384884	/nfs/dbraw/zinc/38/48/84/399384884.db2.gz	HQLONADWIIVVEG-USXIJHARSA-N	0	3	311.429	2.574	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1	ZINC000615807121	399385496	/nfs/dbraw/zinc/38/54/96/399385496.db2.gz	HQLONADWIIVVEG-XIRDDKMYSA-N	0	3	311.429	2.574	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3CO2)CC1	ZINC000287500806	335044172	/nfs/dbraw/zinc/04/41/72/335044172.db2.gz	TZVPNKBPAIIWIN-UHFFFAOYSA-N	0	3	315.417	2.684	20	30		DFEDHN
CNC(=O)CC1(CNCc2cccc(F)c2C#N)CCCCC1	ZINC000602029746	399387828	/nfs/dbraw/zinc/38/78/28/399387828.db2.gz	XETBZSJYSKLXAV-UHFFFAOYSA-N	0	3	317.408	2.874	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(C#N)c1	ZINC000610655819	399389587	/nfs/dbraw/zinc/38/95/87/399389587.db2.gz	HRWSDAFWOKGGEB-DVOMOZLQSA-N	0	3	312.417	2.544	20	30		DFEDHN
CCCN1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619775228	399390249	/nfs/dbraw/zinc/39/02/49/399390249.db2.gz	WHNXXNYKAZAMHN-OAHLLOKOSA-N	0	3	305.809	2.702	20	30		DFEDHN
N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000619784560	399391790	/nfs/dbraw/zinc/39/17/90/399391790.db2.gz	AOENGRRWTZHNBB-PBHICJAKSA-N	0	3	319.836	2.559	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1F)c1ncc(C#N)cc1F	ZINC000413189075	269685233	/nfs/dbraw/zinc/68/52/33/269685233.db2.gz	IEBFQKAKWJYZLT-UHFFFAOYSA-N	0	3	316.355	2.800	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000610717907	399397169	/nfs/dbraw/zinc/39/71/69/399397169.db2.gz	XUALQQLPVATEQC-YOEHRIQHSA-N	0	3	314.433	2.793	20	30		DFEDHN
Cn1cc([C@@H]2CCCN(CCCOc3cccc(C#N)c3)C2)cn1	ZINC000610786162	399406055	/nfs/dbraw/zinc/40/60/55/399406055.db2.gz	PJSGDOOUAYYDOV-QGZVFWFLSA-N	0	3	324.428	2.940	20	30		DFEDHN
N#CCc1cccc2c1CCN(C(=O)[C@H]1CCN1C1CCCC1)C2	ZINC000602192555	399407807	/nfs/dbraw/zinc/40/78/07/399407807.db2.gz	GRXXCGKUYRGOES-LJQANCHMSA-N	0	3	323.440	2.654	20	30		DFEDHN
C[C@@H](NC1CCN(CC#N)CC1)c1ccccc1OC(F)F	ZINC000610813218	399408644	/nfs/dbraw/zinc/40/86/44/399408644.db2.gz	AMOVNJFMAUSJJM-GFCCVEGCSA-N	0	3	309.360	2.927	20	30		DFEDHN
CN(CC(=O)NC(C)(C)c1cccc(C#N)c1)CC(C)(C)C	ZINC000602180634	399406583	/nfs/dbraw/zinc/40/65/83/399406583.db2.gz	YJAKAXDNSQMYRV-UHFFFAOYSA-N	0	3	301.434	2.887	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1cn[nH]c(=O)c1Cl)C(C)C	ZINC000059385180	184137760	/nfs/dbraw/zinc/13/77/60/184137760.db2.gz	BDUOPYIAZQKYHU-CYBMUJFWSA-N	0	3	310.829	2.534	20	30		DFEDHN
C=C(C)COc1cc(CNCCn2ccnc2)ccc1OC	ZINC000060926992	184157900	/nfs/dbraw/zinc/15/79/00/184157900.db2.gz	JBQRZUNMZWALQM-UHFFFAOYSA-N	0	3	301.390	2.636	20	30		DFEDHN
Cc1cc(N2CCN(C[C@H](C)CCC#N)CC2)nc(C(C)C)n1	ZINC000602435730	399442950	/nfs/dbraw/zinc/44/29/50/399442950.db2.gz	LHGOYSGNEFKBDM-OAHLLOKOSA-N	0	3	315.465	2.970	20	30		DFEDHN
N#Cc1cccc(CN2CCCN(Cc3ccccc3)CC2)n1	ZINC000602429453	399441746	/nfs/dbraw/zinc/44/17/46/399441746.db2.gz	DSCNEWGZDKGBPG-UHFFFAOYSA-N	0	3	306.413	2.661	20	30		DFEDHN
COc1ccc(CN2CCN(C[C@H](C)CCC#N)CC2)cc1F	ZINC000602430817	399442434	/nfs/dbraw/zinc/44/24/34/399442434.db2.gz	FBNGEPDMZWJADU-OAHLLOKOSA-N	0	3	319.424	2.892	20	30		DFEDHN
C[C@@H](CCC#N)CN1CCN(c2cccc(F)c2C#N)CC1	ZINC000602445559	399446095	/nfs/dbraw/zinc/44/60/95/399446095.db2.gz	RBVVZVBFQGATRK-AWEZNQCLSA-N	0	3	300.381	2.759	20	30		DFEDHN
CCOc1cccc(N2CCN(C[C@H](C)CCC#N)CC2)n1	ZINC000602452034	399447953	/nfs/dbraw/zinc/44/79/53/399447953.db2.gz	HCWQDCUBFDDUIM-OAHLLOKOSA-N	0	3	302.422	2.542	20	30		DFEDHN
C[C@@H](CCC#N)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000602453912	399448378	/nfs/dbraw/zinc/44/83/78/399448378.db2.gz	KQKFTXGNLLYTEE-BBRMVZONSA-N	0	3	318.396	2.961	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@H](c2cnn(C)c2)C1	ZINC000611235441	399448867	/nfs/dbraw/zinc/44/88/67/399448867.db2.gz	VNAVPRHQOWEGGX-HNNXBMFYSA-N	0	3	310.401	2.680	20	30		DFEDHN
C[C@H](CCC#N)CN1CCN(c2ncnc3ccsc32)CC1	ZINC000602466875	399452300	/nfs/dbraw/zinc/45/23/00/399452300.db2.gz	FQQVEBOOXVPQOF-CYBMUJFWSA-N	0	3	315.446	2.753	20	30		DFEDHN
C=CCCOCC(=O)N[C@H](CN1CCCC1)c1ccccc1	ZINC000620183946	399456021	/nfs/dbraw/zinc/45/60/21/399456021.db2.gz	RPZATKIVKDNEIE-QGZVFWFLSA-N	0	3	302.418	2.532	20	30		DFEDHN
CN(Cc1ccccc1)[C@@H]1CCN(Cc2cccc(C#N)n2)C1	ZINC000602476456	399456454	/nfs/dbraw/zinc/45/64/54/399456454.db2.gz	NZCUIDZHIUSFKT-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NCC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000623779885	399464562	/nfs/dbraw/zinc/46/45/62/399464562.db2.gz	SWISNYPDPXJBTG-KGLIPLIRSA-N	0	3	316.401	2.731	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(CN2C[C@H](C)N(C)C[C@@H]2C)c1C#N	ZINC000611349387	399464918	/nfs/dbraw/zinc/46/49/18/399464918.db2.gz	HGJPXJYYNPIYFI-GJZGRUSLSA-N	0	3	323.444	2.577	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1F)c1cccc(C#N)c1	ZINC000611386286	399468773	/nfs/dbraw/zinc/46/87/73/399468773.db2.gz	KONQVVLDZYSPFV-BBRMVZONSA-N	0	3	314.360	2.788	20	30		DFEDHN
COc1ccccc1N1CC[C@@H](CNCc2cccc(C#N)n2)C1	ZINC000602529591	399468393	/nfs/dbraw/zinc/46/83/93/399468393.db2.gz	QHHJIXFPEDNZIE-HNNXBMFYSA-N	0	3	322.412	2.578	20	30		DFEDHN
COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1O	ZINC000602530889	399468531	/nfs/dbraw/zinc/46/85/31/399468531.db2.gz	YWFRKZNCTNNMON-CYBMUJFWSA-N	0	3	304.390	2.589	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1CCc2ccccc2CC1	ZINC000602533871	399469307	/nfs/dbraw/zinc/46/93/07/399469307.db2.gz	QEHOKPWLDPJPGT-GOSISDBHSA-N	0	3	313.445	2.709	20	30		DFEDHN
CC(C)(C)N1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O	ZINC000611394610	399470384	/nfs/dbraw/zinc/47/03/84/399470384.db2.gz	SHMPAOWCSMXGQQ-NVXWUHKLSA-N	0	3	311.429	2.925	20	30		DFEDHN
CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)[C@H](N)CCCC#N	ZINC000602555565	399474635	/nfs/dbraw/zinc/47/46/35/399474635.db2.gz	IUAXYPDWAYZNAE-HZPDHXFCSA-N	0	3	317.408	2.941	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21	ZINC000602557499	399475017	/nfs/dbraw/zinc/47/50/17/399475017.db2.gz	XNYRJQPBYUQHMM-CABCVRRESA-N	0	3	305.809	2.855	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21	ZINC000602561316	399476731	/nfs/dbraw/zinc/47/67/31/399476731.db2.gz	XWDPXDFCZHOLNN-SYAUCNOPSA-N	0	3	317.820	2.506	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCC2(CCSCC2)CC1	ZINC000602585080	399483949	/nfs/dbraw/zinc/48/39/49/399483949.db2.gz	CHKGQPAULYBLQC-CQSZACIVSA-N	0	3	309.479	2.533	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N3CCC4(CC4)CC3)C2=O)cc1	ZINC000611516792	399486354	/nfs/dbraw/zinc/48/63/54/399486354.db2.gz	DRBUKEROTWJSFN-KRWDZBQOSA-N	0	3	309.413	2.930	20	30		DFEDHN
Cc1cnccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000294567351	224093233	/nfs/dbraw/zinc/09/32/33/224093233.db2.gz	NRKRFEBGPNHOMM-UHFFFAOYSA-N	0	3	320.440	2.970	20	30		DFEDHN
C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(C#N)cc1F	ZINC000611586743	399496897	/nfs/dbraw/zinc/49/68/97/399496897.db2.gz	ZVAIWMIWPYOTLF-LBPRGKRZSA-N	0	3	315.392	2.749	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000602645070	399500941	/nfs/dbraw/zinc/50/09/41/399500941.db2.gz	GJFXOJFSIAIPCA-MEDUHNTESA-N	0	3	317.345	2.807	20	30		DFEDHN
COc1cc(N2CCN(C[C@H](C)CCC#N)CC2)ccc1F	ZINC000602656441	399504547	/nfs/dbraw/zinc/50/45/47/399504547.db2.gz	YNDFCAONMBGPCK-CQSZACIVSA-N	0	3	305.397	2.896	20	30		DFEDHN
CCn1ccnc1[C@H](NC[C@@H](C)CCC#N)C1CCOCC1	ZINC000602652828	399504211	/nfs/dbraw/zinc/50/42/11/399504211.db2.gz	ZLNKFNUUYFYGOB-GOEBONIOSA-N	0	3	304.438	2.900	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1ccc([S@](C)=O)cc1	ZINC000602672642	399514816	/nfs/dbraw/zinc/51/48/16/399514816.db2.gz	ZDYIIQDBCBXYCM-PEBXRYMYSA-N	0	3	320.458	2.613	20	30		DFEDHN
CC[C@](CNCc1cccc(C#N)n1)(C(=O)OC)c1ccccc1	ZINC000602697028	399525265	/nfs/dbraw/zinc/52/52/65/399525265.db2.gz	SNCVJRVVKDTNLU-LJQANCHMSA-N	0	3	323.396	2.564	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]c2ncncc12	ZINC000602695278	399523932	/nfs/dbraw/zinc/52/39/32/399523932.db2.gz	LHRPKNPUJAAITB-QGZVFWFLSA-N	0	3	303.369	2.948	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccc(C)o1)OCC	ZINC000270038329	208092978	/nfs/dbraw/zinc/09/29/78/208092978.db2.gz	JDMNJFCNRUIJDY-KRWDZBQOSA-N	0	3	322.449	2.850	20	30		DFEDHN
N#Cc1cccc(CNCC[C@H]2CSc3ccccc3O2)n1	ZINC000602700161	399526733	/nfs/dbraw/zinc/52/67/33/399526733.db2.gz	LBPIFRAYBBALJY-HNNXBMFYSA-N	0	3	311.410	2.986	20	30		DFEDHN
N#Cc1cccc(CN2CCC(NCc3ccns3)CC2)c1	ZINC000602704819	399530590	/nfs/dbraw/zinc/53/05/90/399530590.db2.gz	KFQYDGWNDKFART-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
N#Cc1cccc(CNCCc2ccc3c(c2)OC(F)(F)O3)n1	ZINC000602712247	399534214	/nfs/dbraw/zinc/53/42/14/399534214.db2.gz	LHWDZAFUTVRADP-UHFFFAOYSA-N	0	3	317.295	2.607	20	30		DFEDHN
N#Cc1cccc(OCCCN[C@@H](CO)c2ccc(F)cc2)c1	ZINC000273087978	210468379	/nfs/dbraw/zinc/46/83/79/210468379.db2.gz	IYJNDYSUJFEPGY-SFHVURJKSA-N	0	3	314.360	2.789	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1ccccc1)N(C)C	ZINC000159299861	197343881	/nfs/dbraw/zinc/34/38/81/197343881.db2.gz	CZAUHMOCUJESIN-SFHVURJKSA-N	0	3	307.397	2.899	20	30		DFEDHN
CCN(CCOc1ccc(C#N)cc1)CCc1nccs1	ZINC000159269248	197340828	/nfs/dbraw/zinc/34/08/28/197340828.db2.gz	CJFZASCMIYMKRL-UHFFFAOYSA-N	0	3	301.415	2.958	20	30		DFEDHN
CCN(C[C@H](O)C[C@](C)(O)C1CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000602762295	399559332	/nfs/dbraw/zinc/55/93/32/399559332.db2.gz	FMUOEXIZCOLIQN-KYNGSXCRSA-N	0	3	316.445	2.853	20	30		DFEDHN
C#CC[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1	ZINC000272888350	210278258	/nfs/dbraw/zinc/27/82/58/210278258.db2.gz	YYYHNONICYVBDO-MAUKXSAKSA-N	0	3	311.429	2.701	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)N(CCN(C)C)C(C)C	ZINC000158610695	197287707	/nfs/dbraw/zinc/28/77/07/197287707.db2.gz	GWJBDDLWTJYPSA-UHFFFAOYSA-N	0	3	319.449	2.733	20	30		DFEDHN
CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](O)C[C@@](C)(O)C1CC1	ZINC000602770123	399565686	/nfs/dbraw/zinc/56/56/86/399565686.db2.gz	WHQZOLKSUBMDFF-RBUKOAKNSA-N	0	3	316.445	2.681	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc(OC)c1O	ZINC000193497089	335050821	/nfs/dbraw/zinc/05/08/21/335050821.db2.gz	IVYHDGPLQRGUDG-LSDHHAIUSA-N	0	3	319.401	2.561	20	30		DFEDHN
N#CCC1(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC1	ZINC000602790455	399574961	/nfs/dbraw/zinc/57/49/61/399574961.db2.gz	GABWKBKNRCVDBK-UHFFFAOYSA-N	0	3	313.401	2.737	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@](C)(C#N)C1	ZINC000612125304	399588684	/nfs/dbraw/zinc/58/86/84/399588684.db2.gz	IGFOJUJGUQPUIV-DOTOQJQBSA-N	0	3	306.454	2.586	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000612122158	399587206	/nfs/dbraw/zinc/58/72/06/399587206.db2.gz	DBMLCXKHCIUQTH-UXLLHSPISA-N	0	3	306.454	2.585	20	30		DFEDHN
COC(=O)C[C@@](C)(NCC1(CC#N)CC1)c1cccc(OC)c1	ZINC000602818652	399587647	/nfs/dbraw/zinc/58/76/47/399587647.db2.gz	WCWHCTMQDJLLIP-QGZVFWFLSA-N	0	3	316.401	2.757	20	30		DFEDHN
CC(C)N(C[C@H](O)COc1ccccc1)CC1(CC#N)CC1	ZINC000602820084	399589189	/nfs/dbraw/zinc/58/91/89/399589189.db2.gz	XDTWRYONUZKCBD-INIZCTEOSA-N	0	3	302.418	2.831	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629416902	399597379	/nfs/dbraw/zinc/59/73/79/399597379.db2.gz	VPDRLKRFNJZONO-QGZVFWFLSA-N	0	3	308.466	2.692	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CNC2(CO)CC2)c1	ZINC000120349867	195148443	/nfs/dbraw/zinc/14/84/43/195148443.db2.gz	UJBVXIWMGVWIFX-UHFFFAOYSA-N	0	3	308.381	2.752	20	30		DFEDHN
N#Cc1cc(CN2CCCN(c3ccncc3)CC2)ccc1F	ZINC000602847207	399600814	/nfs/dbraw/zinc/60/08/14/399600814.db2.gz	UMMKXQADFXHCSR-UHFFFAOYSA-N	0	3	310.376	2.805	20	30		DFEDHN
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)CCC)cc1	ZINC000154755422	196989613	/nfs/dbraw/zinc/98/96/13/196989613.db2.gz	YNNWZGWNPNCVSV-INIZCTEOSA-N	0	3	315.417	2.567	20	30		DFEDHN
CC(C)c1n[nH]c(CC2CCN(Cc3ccnc(C#N)c3)CC2)n1	ZINC000602861135	399605984	/nfs/dbraw/zinc/60/59/84/399605984.db2.gz	IKVGFRJKUPVJSP-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
CC(C)c1nc(CC2CCN(Cc3ccnc(C#N)c3)CC2)n[nH]1	ZINC000602861135	399605989	/nfs/dbraw/zinc/60/59/89/399605989.db2.gz	IKVGFRJKUPVJSP-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
CC(C)c1nnc(CC2CCN(Cc3ccnc(C#N)c3)CC2)[nH]1	ZINC000602861135	399605992	/nfs/dbraw/zinc/60/59/92/399605992.db2.gz	IKVGFRJKUPVJSP-UHFFFAOYSA-N	0	3	324.432	2.649	20	30		DFEDHN
Cc1occc1CN(C)CCC(=O)Nc1sccc1C#N	ZINC000055052542	542453374	/nfs/dbraw/zinc/45/33/74/542453374.db2.gz	NVZXMJWNEQEANT-UHFFFAOYSA-N	0	3	303.387	2.982	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@H](Oc2cncc(Br)c2)C1	ZINC000602887261	399616395	/nfs/dbraw/zinc/61/63/95/399616395.db2.gz	NVCOVZKKCMPYEF-YPMHNXCESA-N	0	3	324.222	2.989	20	30		DFEDHN
COC(=O)CCN(Cc1ccc(C#N)cc1OC)CC(C)C	ZINC000120738272	195228115	/nfs/dbraw/zinc/22/81/15/195228115.db2.gz	POWGHCUELDNCBL-UHFFFAOYSA-N	0	3	304.390	2.588	20	30		DFEDHN
N#CCc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1	ZINC000602890349	399617513	/nfs/dbraw/zinc/61/75/13/399617513.db2.gz	HNRFKWDSPHBNGA-ROUUACIJSA-N	0	3	314.429	2.552	20	30		DFEDHN
C=CC[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nn2)C1	ZINC000625701326	399617778	/nfs/dbraw/zinc/61/77/78/399617778.db2.gz	IUJXHSRAMRBTCF-LLVKDONJSA-N	0	3	301.312	2.816	20	30		DFEDHN
CC[C@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000602925191	399628897	/nfs/dbraw/zinc/62/88/97/399628897.db2.gz	ISSIVFBLIBEAAI-ROUUACIJSA-N	0	3	317.408	2.849	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1	ZINC000612355759	399630205	/nfs/dbraw/zinc/63/02/05/399630205.db2.gz	XWFUDJWIWKBCDR-WMZOPIPTSA-N	0	3	314.433	2.625	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCc3nccn3C2)cc1OC	ZINC000624357716	399652981	/nfs/dbraw/zinc/65/29/81/399652981.db2.gz	CMUYTUUHQZPDMV-OAHLLOKOSA-N	0	3	313.401	2.561	20	30		DFEDHN
N#Cc1cc(F)cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1	ZINC000603079222	399675129	/nfs/dbraw/zinc/67/51/29/399675129.db2.gz	SPJJYJDVYAGDLR-INIZCTEOSA-N	0	3	316.380	2.789	20	30		DFEDHN
C#Cc1ccc(CNCc2ccccc2CN2CCOCC2)cc1	ZINC000289175694	335060600	/nfs/dbraw/zinc/06/06/00/335060600.db2.gz	FPGIIWIWVVXVSI-UHFFFAOYSA-N	0	3	320.436	2.790	20	30		DFEDHN
C=CCCC1(CNC(=O)c2ccn(CCN(C)C)n2)CCCC1	ZINC000617417826	399696666	/nfs/dbraw/zinc/69/66/66/399696666.db2.gz	IGYBXYLAIZCIAU-UHFFFAOYSA-N	0	3	318.465	2.701	20	30		DFEDHN
C=CCOCCN1CCC(Cc2nc(C3CCC3)no2)CC1	ZINC000625998236	399713949	/nfs/dbraw/zinc/71/39/49/399713949.db2.gz	BZXCMPWJDDTKPC-UHFFFAOYSA-N	0	3	305.422	2.794	20	30		DFEDHN
N#CCc1ccc(Cn2cc(CNC3CCCCC3)nn2)cc1	ZINC000603223951	399715639	/nfs/dbraw/zinc/71/56/39/399715639.db2.gz	UWGUWNQJLMOUGT-UHFFFAOYSA-N	0	3	309.417	2.815	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CCO)C2)cc1OC	ZINC000093106615	542552599	/nfs/dbraw/zinc/55/25/99/542552599.db2.gz	XTNGBWYKRGRLHR-HNNXBMFYSA-N	0	3	305.418	2.854	20	30		DFEDHN
CCN1CCC[C@@H](Nc2cc(C#N)c(Br)cn2)C1	ZINC000603277492	399729221	/nfs/dbraw/zinc/72/92/21/399729221.db2.gz	JSZRQGVMBZPXSR-LLVKDONJSA-N	0	3	309.211	2.612	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2cc(C#N)c(Br)cn2)CCN1C	ZINC000603296973	399735736	/nfs/dbraw/zinc/73/57/36/399735736.db2.gz	MXUJNVPTAGWECW-ZYHUDNBSSA-N	0	3	323.238	2.635	20	30		DFEDHN
CCC[C@H]1CN(Cc2ccc(C#N)cc2F)CCN1CCOC	ZINC000121686328	195329178	/nfs/dbraw/zinc/32/91/78/195329178.db2.gz	AFDAUPRCARSPJN-KRWDZBQOSA-N	0	3	319.424	2.630	20	30		DFEDHN
C#C[C@@H](N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC)C(C)C	ZINC000289371958	335062893	/nfs/dbraw/zinc/06/28/93/335062893.db2.gz	LOJGUNBYQWSRDV-UKRRQHHQSA-N	0	3	318.417	2.668	20	30		DFEDHN
COC1CCN(CCNc2cccc(-n3cccc3)c2C#N)CC1	ZINC000603311014	399740466	/nfs/dbraw/zinc/74/04/66/399740466.db2.gz	VINMUZYBQAKTRF-UHFFFAOYSA-N	0	3	324.428	2.872	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000318417894	533268973	/nfs/dbraw/zinc/26/89/73/533268973.db2.gz	JXFUATBEHCJVLZ-GVDBMIGSSA-N	0	3	300.402	2.692	20	30		DFEDHN
C=CCN(C(=O)C[C@H](c1ccccc1)N(C)C)[C@H](C)COC	ZINC000617582612	399749110	/nfs/dbraw/zinc/74/91/10/399749110.db2.gz	QKZNSYBEGMQDTB-NVXWUHKLSA-N	0	3	304.434	2.729	20	30		DFEDHN
COCc1cc(C#N)ccc1NCCCN1CCCO[C@@H](C)C1	ZINC000603357655	399752780	/nfs/dbraw/zinc/75/27/80/399752780.db2.gz	HUGDSGLEUWNCDL-HNNXBMFYSA-N	0	3	317.433	2.617	20	30		DFEDHN
C=C[C@H](CC(=O)NCCN1CCC(OC)CC1)c1ccccc1	ZINC000122573232	542590045	/nfs/dbraw/zinc/59/00/45/542590045.db2.gz	IQRJUWWWGHMPMF-MRXNPFEDSA-N	0	3	316.445	2.573	20	30		DFEDHN
Cc1cc(N(C)CCCN(C)Cc2ccncc2)c(C#N)cn1	ZINC000603403593	399766739	/nfs/dbraw/zinc/76/67/39/399766739.db2.gz	XCLZUDISWBJJGP-UHFFFAOYSA-N	0	3	309.417	2.615	20	30		DFEDHN
Cc1nc(C#N)n(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1C	ZINC000603426427	399774155	/nfs/dbraw/zinc/77/41/55/399774155.db2.gz	NVTOYVFCXXSJJC-SFHVURJKSA-N	0	3	324.428	2.663	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cc1	ZINC000603589976	399792367	/nfs/dbraw/zinc/79/23/67/399792367.db2.gz	XYYYIKQFQIHHPB-UHFFFAOYSA-N	0	3	309.369	2.881	20	30		DFEDHN
N#CC(C(=O)c1ccc2nncn2c1)c1ccc2ccccc2n1	ZINC000603627725	399795198	/nfs/dbraw/zinc/79/51/98/399795198.db2.gz	HTQKFDCHZOAMQV-AWEZNQCLSA-N	0	3	313.320	2.768	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@@H]12	ZINC000603847285	399808094	/nfs/dbraw/zinc/80/80/94/399808094.db2.gz	NSGXZMVBBBZYFR-NOVWEMISSA-N	0	3	303.450	2.695	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1	ZINC000603893079	399814250	/nfs/dbraw/zinc/81/42/50/399814250.db2.gz	GQAGFLJTPQKRHG-UHFFFAOYSA-N	0	3	305.385	2.668	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000289857752	335066678	/nfs/dbraw/zinc/06/66/78/335066678.db2.gz	QURXDCJANBAVIY-MNOVXSKESA-N	0	3	316.323	2.559	20	30		DFEDHN
C#Cc1ccccc1CC(=O)NC[C@H](c1ccccc1)N(C)C	ZINC000289907924	335067267	/nfs/dbraw/zinc/06/72/67/335067267.db2.gz	NQULFGDRVSOTKF-LJQANCHMSA-N	0	3	306.409	2.630	20	30		DFEDHN
COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)c(OC)c1	ZINC000353612848	146686691	/nfs/dbraw/zinc/68/66/91/146686691.db2.gz	SXNPZUSVBNDUBY-GOSISDBHSA-N	0	3	310.397	2.914	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ncc(C)o1	ZINC000329276058	543102534	/nfs/dbraw/zinc/10/25/34/543102534.db2.gz	KEFYQXXFNAXBRM-MJBXVCDLSA-N	0	3	306.410	2.517	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000604468328	399848128	/nfs/dbraw/zinc/84/81/28/399848128.db2.gz	JZDFXXZFDFOIRO-GOSISDBHSA-N	0	3	310.397	2.591	20	30		DFEDHN
Cc1nc([C@H](C)NC(=O)N[C@H](C)C2=CCN(C)CC2)cs1	ZINC000329326236	543102849	/nfs/dbraw/zinc/10/28/49/543102849.db2.gz	WOBKCOLKMJCNJO-MNOVXSKESA-N	0	3	308.451	2.667	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000604468329	399848406	/nfs/dbraw/zinc/84/84/06/399848406.db2.gz	JZDFXXZFDFOIRO-SFHVURJKSA-N	0	3	310.397	2.591	20	30		DFEDHN
C[C@H](CNC(=O)c1csc(NC2CC2)n1)N1CCC[C@@H](C)C1	ZINC000329441693	543104083	/nfs/dbraw/zinc/10/40/83/543104083.db2.gz	BKIGTRBGWNEIAH-VXGBXAGGSA-N	0	3	322.478	3.142	20	30		DFEDHN
C[C@@H](CNC(=O)c1csc(NC2CC2)n1)N1CCC(C)CC1	ZINC000329486764	543104445	/nfs/dbraw/zinc/10/44/45/543104445.db2.gz	TXJFHTDIBAERBK-LBPRGKRZSA-N	0	3	322.478	3.142	20	30		DFEDHN
Cc1nnc([C@@H]2CCCN(CCOc3cccc(C#N)c3)C2)o1	ZINC000604553652	399855518	/nfs/dbraw/zinc/85/55/18/399855518.db2.gz	BCRBRRJRUHBTFY-OAHLLOKOSA-N	0	3	312.373	2.508	20	30		DFEDHN
C[C@@H]1[C@H](C)SCCN1CCC(=O)Nc1cccc(C#N)c1	ZINC000072665682	145189235	/nfs/dbraw/zinc/18/92/35/145189235.db2.gz	IXBIYQWFGCXXDW-OLZOCXBDSA-N	0	3	303.431	2.713	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCO[C@@H](C)C2)CC1	ZINC000172398377	145301221	/nfs/dbraw/zinc/30/12/21/145301221.db2.gz	UIFNCETXBARFHU-HOTGVXAUSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=CCC1(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CCC1	ZINC000634094529	399983156	/nfs/dbraw/zinc/98/31/56/399983156.db2.gz	CSMPDNWPFDTQGY-UHFFFAOYSA-N	0	3	302.422	2.835	20	30		DFEDHN
C=C(C)CN1CCC(NCc2ccncc2Br)CC1	ZINC000631064798	399972622	/nfs/dbraw/zinc/97/26/22/399972622.db2.gz	NXUMZCRYIUDRGS-UHFFFAOYSA-N	0	3	324.266	2.974	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000628544242	400039302	/nfs/dbraw/zinc/03/93/02/400039302.db2.gz	SQELFFPTQQTLCE-FUHWJXTLSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@H]1CCN1C1CCCCC1)OCC	ZINC000628544429	400039608	/nfs/dbraw/zinc/03/96/08/400039608.db2.gz	NAQLRCKYCIBBQC-SJORKVTESA-N	0	3	308.466	2.881	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(CO)c(C)o1)C(C)C	ZINC000631274166	400016031	/nfs/dbraw/zinc/01/60/31/400016031.db2.gz	HVIRLPRIDQYGEB-MRXNPFEDSA-N	0	3	320.433	2.509	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(CO)c(C)o1)C(C)C	ZINC000631274165	400016094	/nfs/dbraw/zinc/01/60/94/400016094.db2.gz	HVIRLPRIDQYGEB-INIZCTEOSA-N	0	3	320.433	2.509	20	30		DFEDHN
C=CCOc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1Cl	ZINC000628368693	400027514	/nfs/dbraw/zinc/02/75/14/400027514.db2.gz	SYRWVNKUTDMFKZ-CQSZACIVSA-N	0	3	322.836	2.957	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCc1cccc(Cl)c1Cl	ZINC000424092861	543342213	/nfs/dbraw/zinc/34/22/13/543342213.db2.gz	PUTJCRMOSLCALW-LBPRGKRZSA-N	0	3	314.216	2.673	20	30		DFEDHN
Cn1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1C#N	ZINC000253350988	146226132	/nfs/dbraw/zinc/22/61/32/146226132.db2.gz	OARDILOMYLKKHO-IEBWSBKVSA-N	0	3	309.413	2.985	20	30		DFEDHN
C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000575489720	543452334	/nfs/dbraw/zinc/45/23/34/543452334.db2.gz	NOOHFDUIJAGQMG-GKLJAUDBSA-N	0	3	317.458	2.797	20	30		DFEDHN
CN(C)CCN(Cc1nc(C#N)cs1)Cc1ccc(F)cc1	ZINC000356322779	147652581	/nfs/dbraw/zinc/65/25/81/147652581.db2.gz	RVWOGJDCKFSSKI-UHFFFAOYSA-N	0	3	318.421	2.718	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2nccc(C)c2C#N)c1	ZINC000357650722	148069496	/nfs/dbraw/zinc/06/94/96/148069496.db2.gz	GFELSUQDXUIMFL-UHFFFAOYSA-N	0	3	324.428	2.839	20	30		DFEDHN
C[C@@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F	ZINC000358571626	148388261	/nfs/dbraw/zinc/38/82/61/148388261.db2.gz	OVYDSLGPDACIBQ-RBSFLKMASA-N	0	3	319.424	2.847	20	30		DFEDHN
C[C@@H](NCCCNC(=O)C1CCC1)c1ccc(C#N)cc1F	ZINC000358570026	148388409	/nfs/dbraw/zinc/38/84/09/148388409.db2.gz	NFMUPZQOYXUONY-GFCCVEGCSA-N	0	3	303.381	2.654	20	30		DFEDHN
Cc1cc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)ccc1C#N	ZINC000361235573	149060845	/nfs/dbraw/zinc/06/08/45/149060845.db2.gz	CQHAVJAKWHOMFD-MRXNPFEDSA-N	0	3	323.371	2.901	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)CC1(COC)CCC1	ZINC000361297553	149078209	/nfs/dbraw/zinc/07/82/09/149078209.db2.gz	SFQMNSAISFZQKZ-UHFFFAOYSA-N	0	3	302.418	2.823	20	30		DFEDHN
C[C@H](C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1cccc(C#N)c1	ZINC000361933424	149259321	/nfs/dbraw/zinc/25/93/21/149259321.db2.gz	ZYLIIMQBVASZRM-WBAXXEDZSA-N	0	3	311.429	2.604	20	30		DFEDHN
N#Cc1cccc(OCCN2CCC(c3cnccn3)CC2)c1	ZINC000370452118	149933669	/nfs/dbraw/zinc/93/36/69/149933669.db2.gz	GGPKZCHXKIOUSY-UHFFFAOYSA-N	0	3	308.385	2.607	20	30		DFEDHN
Cn1cc(CN[C@H]2CCN(c3ccc(F)cc3F)C2)cc1C#N	ZINC000372785815	150185196	/nfs/dbraw/zinc/18/51/96/150185196.db2.gz	QCFGNUNCYOWZBU-AWEZNQCLSA-N	0	3	316.355	2.543	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C12CCOCC2	ZINC000185650355	158067709	/nfs/dbraw/zinc/06/77/09/158067709.db2.gz	AOOZEFKAMAAFMR-LSDHHAIUSA-N	0	3	306.431	2.684	20	30		DFEDHN
C=CCNC(=O)CN[C@H](Cc1ccccc1)c1ccc(OC)cc1	ZINC000290184108	335070065	/nfs/dbraw/zinc/07/00/65/335070065.db2.gz	RGMXNXSGDFKCCZ-LJQANCHMSA-N	0	3	324.424	2.871	20	30		DFEDHN
C[C@H](NCc1ccncc1OCCN(C)C)c1cccc(C#N)c1	ZINC000343934790	158223860	/nfs/dbraw/zinc/22/38/60/158223860.db2.gz	OJMDWOLEQOMUOZ-HNNXBMFYSA-N	0	3	324.428	2.744	20	30		DFEDHN
C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000357005061	158344713	/nfs/dbraw/zinc/34/47/13/158344713.db2.gz	QRQBCRWYBDDHDJ-NWDGAFQWSA-N	0	3	309.360	2.684	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(CCCCC)n[nH]2)CC1	ZINC000668369719	543798914	/nfs/dbraw/zinc/79/89/14/543798914.db2.gz	CKXBRGMLDWZSDA-UHFFFAOYSA-N	0	3	304.438	2.523	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1OC	ZINC000668741036	543859080	/nfs/dbraw/zinc/85/90/80/543859080.db2.gz	ZMXGJBRLCFFUBI-KBXCAEBGSA-N	0	3	305.418	2.710	20	30		DFEDHN
N#Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1	ZINC000296669400	226105246	/nfs/dbraw/zinc/10/52/46/226105246.db2.gz	ZHKRZMWPUFYEBG-HNNXBMFYSA-N	0	3	323.356	2.548	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)OCC	ZINC000290611871	335076425	/nfs/dbraw/zinc/07/64/25/335076425.db2.gz	RUEMPMKLQTTYCF-SJORKVTESA-N	0	3	322.424	2.916	20	30		DFEDHN
Cn1cc(C#N)cc1C(=O)C(C#N)c1ccc2ccccc2n1	ZINC000674408034	544238059	/nfs/dbraw/zinc/23/80/59/544238059.db2.gz	ZCFJFBBPEPBAOF-CQSZACIVSA-N	0	3	300.321	2.935	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CN(CC)C[C@@H]1C	ZINC000674789148	544259326	/nfs/dbraw/zinc/25/93/26/544259326.db2.gz	BWUOTISKBUNBRT-WMZOPIPTSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCCOC[C@@H]1C)C(C)C	ZINC000676540792	544384931	/nfs/dbraw/zinc/38/49/31/544384931.db2.gz	LQCOCEBHOINJEQ-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
CN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)(C)CO	ZINC000676610153	544388201	/nfs/dbraw/zinc/38/82/01/544388201.db2.gz	UYQBQGXHMMGHKZ-UHFFFAOYSA-N	0	3	301.308	2.639	20	30		DFEDHN
CCC#C[C@H](C)N1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000677479522	544495932	/nfs/dbraw/zinc/49/59/32/544495932.db2.gz	OMLGCQNECDDWCF-HNNXBMFYSA-N	0	3	316.420	2.956	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nnc1C)C(C)C	ZINC000678082949	544596576	/nfs/dbraw/zinc/59/65/76/544596576.db2.gz	XAVSEKDLILXLNF-KRWDZBQOSA-N	0	3	316.449	2.522	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C#N)c1	ZINC000055339880	425893204	/nfs/dbraw/zinc/89/32/04/425893204.db2.gz	VFWHCWKHFUMXAO-SFHVURJKSA-N	0	3	322.412	2.853	20	30		DFEDHN
N#Cc1cc(F)ccc1N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000301844342	229934978	/nfs/dbraw/zinc/93/49/78/229934978.db2.gz	LLHWCGHTXFKIQS-QGZVFWFLSA-N	0	3	317.408	2.779	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1ccc(C#N)nn1	ZINC000301962199	230005489	/nfs/dbraw/zinc/00/54/89/230005489.db2.gz	IIVJHBNIWVNVMG-QAPCUYQASA-N	0	3	321.428	2.695	20	30		DFEDHN
Cc1ccc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)nc1C#N	ZINC000302615301	230320127	/nfs/dbraw/zinc/32/01/27/230320127.db2.gz	FSYVRXAMEVFQEM-DOTOQJQBSA-N	0	3	321.428	2.979	20	30		DFEDHN
Cc1ccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)nc1C#N	ZINC000302628639	230322859	/nfs/dbraw/zinc/32/28/59/230322859.db2.gz	IRFMGLRHDLLTCB-GJZGRUSLSA-N	0	3	302.422	2.563	20	30		DFEDHN
CS[C@H](CO)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352829432	269809866	/nfs/dbraw/zinc/80/98/66/269809866.db2.gz	BEICTJWMXWCFFE-NOZJJQNGSA-N	0	3	318.364	2.779	20	30		DFEDHN
CC1CCC(N(CC(=O)N(CCC#N)CCC#N)C2CC2)CC1	ZINC000065588914	425902949	/nfs/dbraw/zinc/90/29/49/425902949.db2.gz	HSLCMSJEBFQWME-UHFFFAOYSA-N	0	3	316.449	2.685	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c3ncccc23)CC1	ZINC000067707429	425912628	/nfs/dbraw/zinc/91/26/28/425912628.db2.gz	WJFXILZDXSHEEC-UHFFFAOYSA-N	0	3	307.397	2.827	20	30		DFEDHN
N#Cc1ccc(CC(=O)N2CCC[C@H]2CN2CCCCC2)cc1	ZINC000068132306	425916264	/nfs/dbraw/zinc/91/62/64/425916264.db2.gz	VELDWMRKYJUMFE-SFHVURJKSA-N	0	3	311.429	2.578	20	30		DFEDHN
Cc1cc(CN2CCC(O[C@H]3CCOC3)CC2)ccc1C#N	ZINC000488426931	269912965	/nfs/dbraw/zinc/91/29/65/269912965.db2.gz	IVCPZXQENNQMOX-SFHVURJKSA-N	0	3	300.402	2.637	20	30		DFEDHN
N#CC(C(=O)NCc1ccco1)c1ccc(C(F)(F)F)cn1	ZINC000155718136	425924797	/nfs/dbraw/zinc/92/47/97/425924797.db2.gz	YTVGPEDPJVDBBL-LLVKDONJSA-N	0	3	309.247	2.617	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](Cc1ccccc1)C(N)=O	ZINC000419373615	269970222	/nfs/dbraw/zinc/97/02/22/269970222.db2.gz	OMJDSUBOOQYDON-MOPGFXCFSA-N	0	3	319.408	2.622	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)s1	ZINC000346105905	269998313	/nfs/dbraw/zinc/99/83/13/269998313.db2.gz	NSTUITDKOZFZGG-CYBMUJFWSA-N	0	3	303.431	2.614	20	30		DFEDHN
Cc1nc(N(CCN(C)C)Cc2ccsc2)ccc1C#N	ZINC000413464269	270000097	/nfs/dbraw/zinc/00/00/97/270000097.db2.gz	ZEXWVUQLUOEUGZ-UHFFFAOYSA-N	0	3	300.431	2.891	20	30		DFEDHN
N#Cc1cncc(NC[C@H]2CCCN(Cc3cccs3)C2)n1	ZINC000420583301	270000521	/nfs/dbraw/zinc/00/05/21/270000521.db2.gz	KHTYSPDGNAXZML-CYBMUJFWSA-N	0	3	313.430	2.734	20	30		DFEDHN
N#Cc1cccc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-]	ZINC000450326179	270001243	/nfs/dbraw/zinc/00/12/43/270001243.db2.gz	XSZPZULBGCAVNX-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
C[C@H](N[C@@H]1COCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000451806445	270001475	/nfs/dbraw/zinc/00/14/75/270001475.db2.gz	DRMYDMJPUQIWSL-IINYFYTJSA-N	0	3	321.808	2.553	20	30		DFEDHN
COC(=O)c1cccc(CN(C(C)C)C2CCOCC2)c1C#N	ZINC000533762733	270003031	/nfs/dbraw/zinc/00/30/31/270003031.db2.gz	ZFYZIEPRWQVNJI-UHFFFAOYSA-N	0	3	316.401	2.734	20	30		DFEDHN
C#Cc1cccc(N(C)C(=O)c2ccccc2OCCN(C)C)c1	ZINC000103102062	425935869	/nfs/dbraw/zinc/93/58/69/425935869.db2.gz	KIBSAVMMTFIUBH-UHFFFAOYSA-N	0	3	322.408	2.885	20	30		DFEDHN
C=C(C)CNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000156750531	425936020	/nfs/dbraw/zinc/93/60/20/425936020.db2.gz	IBMIVMAARJSQHY-QGZVFWFLSA-N	0	3	301.434	2.699	20	30		DFEDHN
CC(C)[C@@H](CNCc1nc(C#N)cs1)N1CCC(C)CC1	ZINC000352833469	265887059	/nfs/dbraw/zinc/88/70/59/265887059.db2.gz	HUENXVDZZKSCRI-OAHLLOKOSA-N	0	3	306.479	2.861	20	30		DFEDHN
CCCCN(CCOC)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280214682	266030224	/nfs/dbraw/zinc/03/02/24/266030224.db2.gz	AIIPFQBWQWIBJA-QGZVFWFLSA-N	0	3	313.401	2.516	20	30		DFEDHN
CCN(CC)[C@@H](CNc1ccnc(C#N)c1)c1ccsc1	ZINC000341525073	266118655	/nfs/dbraw/zinc/11/86/55/266118655.db2.gz	AUXOXQUBRVROOW-INIZCTEOSA-N	0	3	300.431	2.932	20	30		DFEDHN
CCN(Cc1ccccn1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280086534	266137391	/nfs/dbraw/zinc/13/73/91/266137391.db2.gz	OEDXDLDZPLRRFJ-QGZVFWFLSA-N	0	3	318.380	2.684	20	30		DFEDHN
CCN(Cc1ccncc1)C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279572387	266138718	/nfs/dbraw/zinc/13/87/18/266138718.db2.gz	PVMIMEHTSRQFGI-SFHVURJKSA-N	0	3	318.380	2.684	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncccc1CN	ZINC000415997453	267016329	/nfs/dbraw/zinc/01/63/29/267016329.db2.gz	PPRFIXDWTGKJOG-UHFFFAOYSA-N	0	3	323.400	2.856	20	30		DFEDHN
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@H](C)CN1C	ZINC000351105917	267052908	/nfs/dbraw/zinc/05/29/08/267052908.db2.gz	WFBNSMSMEJUGGO-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000342752654	267089448	/nfs/dbraw/zinc/08/94/48/267089448.db2.gz	LHLLBLPCFIDPMD-QAPCUYQASA-N	0	3	323.440	2.675	20	30		DFEDHN
C[C@@H]1[C@@H](C)N(Cc2ccc(C#N)cc2Br)CCN1C	ZINC000351067516	267104044	/nfs/dbraw/zinc/10/40/44/267104044.db2.gz	WAGFHHNURYLSRV-VXGBXAGGSA-N	0	3	322.250	2.845	20	30		DFEDHN
C[C@@H]1[C@H](NCc2nc(C#N)cs2)CCN1Cc1ccccc1	ZINC000352906427	267110130	/nfs/dbraw/zinc/11/01/30/267110130.db2.gz	VZZXXXRZTQWPPD-CZUORRHYSA-N	0	3	312.442	2.767	20	30		DFEDHN
CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000451536850	267148233	/nfs/dbraw/zinc/14/82/33/267148233.db2.gz	IHRIHRQAJRGPHJ-GDBMZVCRSA-N	0	3	318.417	2.693	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)[C@@H]1SC	ZINC000459561371	267149831	/nfs/dbraw/zinc/14/98/31/267149831.db2.gz	LLUKFVFVNYXNHM-BMFZPTHFSA-N	0	3	306.431	2.565	20	30		DFEDHN
CCO[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C[C@@H]1C	ZINC000451525515	267156129	/nfs/dbraw/zinc/15/61/29/267156129.db2.gz	MTQDVFJZLOPFSJ-JSGCOSHPSA-N	0	3	321.446	2.695	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000188591144	267157031	/nfs/dbraw/zinc/15/70/31/267157031.db2.gz	WCMOBOTZAPZMRQ-HZSPNIEDSA-N	0	3	317.408	2.794	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)cc1Cl	ZINC000345680460	267216941	/nfs/dbraw/zinc/21/69/41/267216941.db2.gz	FIRFNEBKSVOIOC-NSHDSACASA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@H]1CC[C@H](C)N1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000345649140	267223107	/nfs/dbraw/zinc/22/31/07/267223107.db2.gz	BMHKRMINWNHRFM-GJZGRUSLSA-N	0	3	311.429	2.922	20	30		DFEDHN
CN(C)c1ccccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428799546	267294501	/nfs/dbraw/zinc/29/45/01/267294501.db2.gz	WOTZRRDCDHYPIK-QGZVFWFLSA-N	0	3	322.412	2.673	20	30		DFEDHN
CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C1CCCC1	ZINC000438577218	267317862	/nfs/dbraw/zinc/31/78/62/267317862.db2.gz	NITDUMWZPUOURV-GOSISDBHSA-N	0	3	311.429	2.924	20	30		DFEDHN
CN1C(=O)c2ccccc2[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21	ZINC000528004440	267330135	/nfs/dbraw/zinc/33/01/35/267330135.db2.gz	RIFZKAQYVNPNGD-RTBURBONSA-N	0	3	317.392	2.962	20	30		DFEDHN
CN1CCC(Nc2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000432144244	267333691	/nfs/dbraw/zinc/33/36/91/267333691.db2.gz	WOQAYFPYHPDQLD-UHFFFAOYSA-N	0	3	302.328	2.891	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)/C=C\c3cccc(C#N)c3)C2)C1	ZINC000492969909	267335310	/nfs/dbraw/zinc/33/53/10/267335310.db2.gz	CHJADNJAJHIUMV-LIXSYLKWSA-N	0	3	309.413	2.516	20	30		DFEDHN
CN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)C2)C1	ZINC000412362589	267338317	/nfs/dbraw/zinc/33/83/17/267338317.db2.gz	MQHIKLUYWGONMP-NSHGMRRFSA-N	0	3	323.440	2.606	20	30		DFEDHN
Cc1nccn1CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000352851695	267656641	/nfs/dbraw/zinc/65/66/41/267656641.db2.gz	IUOGMXGVHHISLR-UHFFFAOYSA-N	0	3	308.307	2.872	20	30		DFEDHN
C[C@@H](CN(C)CCOc1ccccc1C#N)C(=O)OC(C)(C)C	ZINC000459803578	267688981	/nfs/dbraw/zinc/68/89/81/267688981.db2.gz	JWNVMGCLXAUFHL-AWEZNQCLSA-N	0	3	318.417	2.847	20	30		DFEDHN
O=C(C#Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1	ZINC000026986834	425813765	/nfs/dbraw/zinc/81/37/65/425813765.db2.gz	IIAXOZZRUNNJFU-UHFFFAOYSA-N	0	3	318.420	2.819	20	30		DFEDHN
Cc1cc(Cl)c2ncc(C#N)c(N3CCN[C@@H](C)C3)c2c1	ZINC000420244883	268000520	/nfs/dbraw/zinc/00/05/20/268000520.db2.gz	YUSXPNBSISLDNJ-NSHDSACASA-N	0	3	300.793	2.866	20	30		DFEDHN
Cc1cccc2c1CN(C[C@H](O)COc1ccccc1C#N)CC2	ZINC000528473467	268058304	/nfs/dbraw/zinc/05/83/04/268058304.db2.gz	GPQRRPPHAQLPEJ-SFHVURJKSA-N	0	3	322.408	2.665	20	30		DFEDHN
Cc1ncc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)o1	ZINC000459678653	268081415	/nfs/dbraw/zinc/08/14/15/268081415.db2.gz	RYUNSPIGCKQLBL-UHFFFAOYSA-N	0	3	310.401	2.609	20	30		DFEDHN
C[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000193853487	268081522	/nfs/dbraw/zinc/08/15/22/268081522.db2.gz	NDDYYGHNCJHRMU-INIZCTEOSA-N	0	3	306.413	2.879	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(F)cc2)cc1	ZINC000347975435	268085441	/nfs/dbraw/zinc/08/54/41/268085441.db2.gz	VDZDXMNKBHCHNX-KRWDZBQOSA-N	0	3	321.355	2.739	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](c3ccco3)C2)cc1	ZINC000366215846	268089306	/nfs/dbraw/zinc/08/93/06/268089306.db2.gz	LGCPFPAHQPOYKB-IAGOWNOFSA-N	0	3	319.364	2.850	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCC2(C3CC3)CCC2)cc1	ZINC000280234512	268089354	/nfs/dbraw/zinc/08/93/54/268089354.db2.gz	WGXIAEWDZXCRDC-MRXNPFEDSA-N	0	3	307.397	2.937	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCCS2)cc1	ZINC000348421101	268091222	/nfs/dbraw/zinc/09/12/22/268091222.db2.gz	MCAVFKQBNNSURM-HZPDHXFCSA-N	0	3	313.426	2.642	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1	ZINC000274233121	268115654	/nfs/dbraw/zinc/11/56/54/268115654.db2.gz	TUTZLPZZCJWAOM-BQFCYCMXSA-N	0	3	322.412	2.726	20	30		DFEDHN
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cccc(C#N)c2)C1	ZINC000194855503	268119362	/nfs/dbraw/zinc/11/93/62/268119362.db2.gz	BCLCXFBYVKTOKR-GOSISDBHSA-N	0	3	300.402	2.969	20	30		DFEDHN
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)cc2)C1	ZINC000194856227	268119520	/nfs/dbraw/zinc/11/95/20/268119520.db2.gz	DJPURZNHEGLVOC-SFHVURJKSA-N	0	3	300.402	2.969	20	30		DFEDHN
Cn1cc(CNCCC(C)(C)C(=O)OC(C)(C)C)cc1C#N	ZINC000424195722	268128226	/nfs/dbraw/zinc/12/82/26/268128226.db2.gz	ZNLFAHVYAILWAL-UHFFFAOYSA-N	0	3	305.422	2.744	20	30		DFEDHN
N#Cc1c(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cn2ccccc12	ZINC000451696427	268158974	/nfs/dbraw/zinc/15/89/74/268158974.db2.gz	AXBMANGSZPGAND-VYDXJSESSA-N	0	3	309.413	2.794	20	30		DFEDHN
N#Cc1ccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(Cl)c1	ZINC000451311245	268223274	/nfs/dbraw/zinc/22/32/74/268223274.db2.gz	YNCHQAHNTNARBC-ZMSDIMECSA-N	0	3	320.820	2.573	20	30		DFEDHN
N#Cc1ccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)o1	ZINC000425352605	268224160	/nfs/dbraw/zinc/22/41/60/268224160.db2.gz	OYWVANJWVLCNRU-QFBILLFUSA-N	0	3	307.397	2.858	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCOc3ccccc3F)n2c1	ZINC000342862071	268225181	/nfs/dbraw/zinc/22/51/81/268225181.db2.gz	PZZPXKPRPOZCPG-UHFFFAOYSA-N	0	3	310.332	2.514	20	30		DFEDHN
N#Cc1ccc(CNCCN2CCc3ccccc3C2)cc1F	ZINC000421322410	268231895	/nfs/dbraw/zinc/23/18/95/268231895.db2.gz	DUFWJXYJPHZWLQ-UHFFFAOYSA-N	0	3	309.388	2.845	20	30		DFEDHN
N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1	ZINC000428532866	268233448	/nfs/dbraw/zinc/23/34/48/268233448.db2.gz	GATZXDWPWAZHQD-RBUKOAKNSA-N	0	3	310.372	2.953	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN[C@H](c2ccccc2)C2CC2)c1	ZINC000343571582	268251242	/nfs/dbraw/zinc/25/12/42/268251242.db2.gz	BMTKZJMIVDJBSX-HXUWFJFHSA-N	0	3	319.408	2.915	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCC[C@H]3C(=O)NC[C@H]32)c1	ZINC000328829688	268262758	/nfs/dbraw/zinc/26/27/58/268262758.db2.gz	QXMPEFYHHGDWRD-HUUCEWRRSA-N	0	3	312.373	2.587	20	30		DFEDHN
N#Cc1ccc([C@H](NC[C@@H](c2ccccc2)C2CC2)C(N)=O)cc1	ZINC000431113121	268263709	/nfs/dbraw/zinc/26/37/09/268263709.db2.gz	RTRUYCACXGLQDM-OALUTQOASA-N	0	3	319.408	2.868	20	30		DFEDHN
N#Cc1cccc(OCCN2C[C@H](O)C[C@@H]2c2ccccc2)c1	ZINC000411958067	268284800	/nfs/dbraw/zinc/28/48/00/268284800.db2.gz	XDKVIDPOXRKMRO-IEBWSBKVSA-N	0	3	308.381	2.745	20	30		DFEDHN
N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1	ZINC000425208812	268292622	/nfs/dbraw/zinc/29/26/22/268292622.db2.gz	QBWZBNLPFSOKTG-AWEZNQCLSA-N	0	3	300.362	2.531	20	30		DFEDHN
N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCCCC[C@@H]21	ZINC000528402729	268302773	/nfs/dbraw/zinc/30/27/73/268302773.db2.gz	IALVESROQWMXPM-BBWFWOEESA-N	0	3	300.402	2.562	20	30		DFEDHN
N#Cc1cnccc1N1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1	ZINC000363700554	268315646	/nfs/dbraw/zinc/31/56/46/268315646.db2.gz	KOVPVZRVSWYKEQ-LPHOPBHVSA-N	0	3	304.397	2.664	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CNCc2cccc(C#N)c2)c1	ZINC000320198560	268348056	/nfs/dbraw/zinc/34/80/56/268348056.db2.gz	QEIBOXXBMKKLCC-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2ccc(C#N)cn2)C1	ZINC000323752388	268349889	/nfs/dbraw/zinc/34/98/89/268349889.db2.gz	DRFSOEVVQRDKPI-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCN(c2cccnc2C#N)C1	ZINC000323840613	268350376	/nfs/dbraw/zinc/35/03/76/268350376.db2.gz	VWTPWYRHZFQTPV-MRXNPFEDSA-N	0	3	306.413	2.912	20	30		DFEDHN
CC(C)C[C@H](C)CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000330387904	268353189	/nfs/dbraw/zinc/35/31/89/268353189.db2.gz	MXJDPHAACBOPIP-GJZGRUSLSA-N	0	3	301.438	2.541	20	30		DFEDHN
Cc1cccc(NC(=O)[C@H]2CCCN(CCC(C)(C)C#N)C2)n1	ZINC000157719353	425939470	/nfs/dbraw/zinc/93/94/70/425939470.db2.gz	KKVGXTVTVGYZDU-HNNXBMFYSA-N	0	3	314.433	2.980	20	30		DFEDHN
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1cnc(C#N)cn1	ZINC000126007811	426001134	/nfs/dbraw/zinc/00/11/34/426001134.db2.gz	JXKYFCBLNPKLAL-QGZVFWFLSA-N	0	3	321.428	2.697	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CCC1	ZINC000104697482	425966019	/nfs/dbraw/zinc/96/60/19/425966019.db2.gz	QSUKGXBVSGBDFE-CJNGLKHVSA-N	0	3	315.417	2.518	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@H](C)N(C)C1CC1	ZINC000105269153	425966372	/nfs/dbraw/zinc/96/63/72/425966372.db2.gz	RKIHCRFXHLDMTP-ZDUSSCGKSA-N	0	3	307.463	2.928	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(COC)c2)CC1	ZINC000106039019	425970046	/nfs/dbraw/zinc/97/00/46/425970046.db2.gz	NBZPILWAKNSEKU-UHFFFAOYSA-N	0	3	302.418	2.603	20	30		DFEDHN
CN1CCC[C@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccs1	ZINC000125486347	425975237	/nfs/dbraw/zinc/97/52/37/425975237.db2.gz	ISMXATKCVKMVBQ-MLGOLLRUSA-N	0	3	313.430	2.905	20	30		DFEDHN
CCN(CC)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000073643846	426028776	/nfs/dbraw/zinc/02/87/76/426028776.db2.gz	RCWCXODYDWERRY-UHFFFAOYSA-N	0	3	312.335	2.515	20	30		DFEDHN
CC(C)N1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000127014195	426047680	/nfs/dbraw/zinc/04/76/80/426047680.db2.gz	GLXKVKOJNOLBNS-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000127291229	426059560	/nfs/dbraw/zinc/05/95/60/426059560.db2.gz	KRWNEEHAJWWSON-UHFFFAOYSA-N	0	3	303.406	2.859	20	30		DFEDHN
COCCN(CCCSCC#N)Cc1ccc2c(c1)OCO2	ZINC000074990641	426060538	/nfs/dbraw/zinc/06/05/38/426060538.db2.gz	VWWLVNXARUTSNI-UHFFFAOYSA-N	0	3	322.430	2.511	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1	ZINC000127476450	426068446	/nfs/dbraw/zinc/06/84/46/426068446.db2.gz	FUQVKGGUZZWUBT-ROUUACIJSA-N	0	3	324.428	2.779	20	30		DFEDHN
C=CCOc1ccc(-c2nnc(SCCN(C)C)o2)cc1	ZINC000126283901	426013460	/nfs/dbraw/zinc/01/34/60/426013460.db2.gz	PLGSLPXUKSIRJA-UHFFFAOYSA-N	0	3	305.403	2.955	20	30		DFEDHN
CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000072775069	426021598	/nfs/dbraw/zinc/02/15/98/426021598.db2.gz	IYALSYAGKDSRME-JKSUJKDBSA-N	0	3	304.438	2.543	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC=C(c2ccccc2F)CC1	ZINC000127845340	426089117	/nfs/dbraw/zinc/08/91/17/426089117.db2.gz	GMLDHHVJEOVCKL-UHFFFAOYSA-N	0	3	315.392	2.677	20	30		DFEDHN
CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000112700403	426089303	/nfs/dbraw/zinc/08/93/03/426089303.db2.gz	WAZFCZYRYWLSIW-KRWDZBQOSA-N	0	3	313.445	2.933	20	30		DFEDHN
C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000163151157	426090805	/nfs/dbraw/zinc/09/08/05/426090805.db2.gz	LPILIECHUJEWTE-CQSZACIVSA-N	0	3	320.458	2.890	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](CC)OC2CCCC2)CC1	ZINC000112905840	426097972	/nfs/dbraw/zinc/09/79/72/426097972.db2.gz	IOZPFKPBJDSSKK-QGZVFWFLSA-N	0	3	308.466	2.881	20	30		DFEDHN
C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCC(C)CC1	ZINC000128548378	426122366	/nfs/dbraw/zinc/12/23/66/426122366.db2.gz	SJWNGIMNJQEMMF-GFCCVEGCSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC(C)C[C@@H]1CCCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000077364387	426130530	/nfs/dbraw/zinc/13/05/30/426130530.db2.gz	MJOOCSDCWUHBRW-KRWDZBQOSA-N	0	3	318.465	2.933	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)N1CCC[C@H](C)C1	ZINC000077499618	426137150	/nfs/dbraw/zinc/13/71/50/426137150.db2.gz	FUAUQENVUQSPOM-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
CCN(CCC#N)Cc1ccccc1N1CCN(CC)CC1	ZINC000127656661	426078932	/nfs/dbraw/zinc/07/89/32/426078932.db2.gz	MAUUOAREIDRCKY-UHFFFAOYSA-N	0	3	300.450	2.564	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@]2(CC=CCC2)C1	ZINC000114494679	426137633	/nfs/dbraw/zinc/13/76/33/426137633.db2.gz	IHKBFRNDZODXOG-AEFFLSMTSA-N	0	3	303.450	2.817	20	30		DFEDHN
C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1	ZINC000075755608	426083205	/nfs/dbraw/zinc/08/32/05/426083205.db2.gz	QEFYVOXGQHMATC-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)[C@@H]1COc2ccccc21	ZINC000163028956	426087136	/nfs/dbraw/zinc/08/71/36/426087136.db2.gz	UIKLETWNNVQMJJ-VYDXJSESSA-N	0	3	316.445	2.954	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000079775723	426202682	/nfs/dbraw/zinc/20/26/82/426202682.db2.gz	BYNCJMAWNFHGPK-KRWDZBQOSA-N	0	3	304.434	2.697	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@@H]3CCCC(F)(F)C3)CC2)c1	ZINC000338266887	268647971	/nfs/dbraw/zinc/64/79/71/268647971.db2.gz	REYJBKIFMSKSAK-OAHLLOKOSA-N	0	3	320.387	2.901	20	30		DFEDHN
N#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1	ZINC000114644921	426140998	/nfs/dbraw/zinc/14/09/98/426140998.db2.gz	OEWJXHGSFKDZEB-IBGZPJMESA-N	0	3	319.408	2.953	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000114644093	426141161	/nfs/dbraw/zinc/14/11/61/426141161.db2.gz	BTGPXFZBIRSCMW-SJLPKXTDSA-N	0	3	316.445	2.748	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccs1	ZINC000129831138	426141292	/nfs/dbraw/zinc/14/12/92/426141292.db2.gz	PNASPNRPOSKTRB-DZGCQCFKSA-N	0	3	317.458	2.941	20	30		DFEDHN
C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)N(C)C1CC1	ZINC000133931325	426185033	/nfs/dbraw/zinc/18/50/33/426185033.db2.gz	XDQAIAMTMXFTRW-WMLDXEAASA-N	0	3	314.433	2.813	20	30		DFEDHN
C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C1CC1	ZINC000133931131	426185308	/nfs/dbraw/zinc/18/53/08/426185308.db2.gz	XDQAIAMTMXFTRW-PBHICJAKSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2c(C)cc(C)cc2C)CC1	ZINC000171724596	426206611	/nfs/dbraw/zinc/20/66/11/426206611.db2.gz	GSSAENCOMNHYSB-UHFFFAOYSA-N	0	3	316.445	2.757	20	30		DFEDHN
N#CCCCCN1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000083243664	426230040	/nfs/dbraw/zinc/23/00/40/426230040.db2.gz	CZDKBUUUVAVMQI-UHFFFAOYSA-N	0	3	313.445	2.847	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccnn2CCO)CC1	ZINC000118396066	426235556	/nfs/dbraw/zinc/23/55/56/426235556.db2.gz	KHENMPTWDDVQIN-HNNXBMFYSA-N	0	3	324.428	2.688	20	30		DFEDHN
CN(C)CCN(Cc1cccs1)C(=O)c1sccc1C#N	ZINC000084251351	426235779	/nfs/dbraw/zinc/23/57/79/426235779.db2.gz	PEMYGWIWMFHLFC-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
COc1ccc(CNCC(C)(C)OC)cc1OCCCC#N	ZINC000174594636	426260773	/nfs/dbraw/zinc/26/07/73/426260773.db2.gz	WLXIOCYQYUBJHU-UHFFFAOYSA-N	0	3	306.406	2.892	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Cc2ccc(F)c(F)c2)CC1	ZINC000087318164	426269729	/nfs/dbraw/zinc/26/97/29/426269729.db2.gz	CWOBSCKDJIHRIC-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccccc2C)CC1	ZINC000171718490	426206886	/nfs/dbraw/zinc/20/68/86/426206886.db2.gz	YCPHDMCEKVWLIS-MRXNPFEDSA-N	0	3	315.461	2.876	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(OC(F)F)cc2)CC1	ZINC000171723985	426206992	/nfs/dbraw/zinc/20/69/92/426206992.db2.gz	HSLXZZLJNSHEQV-UHFFFAOYSA-N	0	3	324.371	2.597	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1	ZINC000171725862	426207752	/nfs/dbraw/zinc/20/77/52/426207752.db2.gz	BKWIMGCDBXHPLQ-UHFFFAOYSA-N	0	3	314.763	2.998	20	30		DFEDHN
COC(=O)[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000135180214	426208818	/nfs/dbraw/zinc/20/88/18/426208818.db2.gz	GBXLUTIGRWKGGW-HNNXBMFYSA-N	0	3	300.402	2.873	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000080942339	426216669	/nfs/dbraw/zinc/21/66/69/426216669.db2.gz	HIORGBAMXQHSBE-GOSISDBHSA-N	0	3	324.428	2.710	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2SCC)CC1	ZINC000175247333	426291476	/nfs/dbraw/zinc/29/14/76/426291476.db2.gz	OSDURLUWCQYGKL-JKSUJKDBSA-N	0	3	308.491	2.512	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2scnc2C2CC2)CC1	ZINC000089819974	426311719	/nfs/dbraw/zinc/31/17/19/426311719.db2.gz	PTRGUWSBBXXEST-UHFFFAOYSA-N	0	3	305.447	2.791	20	30		DFEDHN
CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)CCC#N	ZINC000120697910	426313677	/nfs/dbraw/zinc/31/36/77/426313677.db2.gz	BJSJQFDUEODUTQ-CVEARBPZSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC[C@H]1CCCC[C@H]1N(C)CC(=O)N(CCC#N)CCC#N	ZINC000120698393	426313698	/nfs/dbraw/zinc/31/36/98/426313698.db2.gz	BJSJQFDUEODUTQ-JKSUJKDBSA-N	0	3	304.438	2.543	20	30		DFEDHN
COc1ccc(CNCCc2nc(C)c(C)s2)cc1C#N	ZINC000122828981	426397272	/nfs/dbraw/zinc/39/72/72/426397272.db2.gz	OHESVIWGYRBDEF-UHFFFAOYSA-N	0	3	301.415	2.973	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@H](C(=O)NCCC)C2)cc1	ZINC000092733744	426351329	/nfs/dbraw/zinc/35/13/29/426351329.db2.gz	JSWOXYWTNXNJTH-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=CCOc1ccccc1CN1CCCN(c2cccnn2)CC1	ZINC000093150326	426353903	/nfs/dbraw/zinc/35/39/03/426353903.db2.gz	OQNGMUNGKNVDJX-UHFFFAOYSA-N	0	3	324.428	2.754	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1OC	ZINC000093479794	426356952	/nfs/dbraw/zinc/35/69/52/426356952.db2.gz	UIMFRXPSVMYKEI-MCPYQZEQSA-N	0	3	317.429	2.853	20	30		DFEDHN
C[C@H](CNCc1cnc2ccc(C#N)cn12)N(C)c1ccccc1	ZINC000123299678	426425415	/nfs/dbraw/zinc/42/54/15/426425415.db2.gz	CKBIISOCJIDRID-OAHLLOKOSA-N	0	3	319.412	2.820	20	30		DFEDHN
N#Cc1ccc(CNC2CCN(Cc3ccccn3)CC2)s1	ZINC000176949490	426427451	/nfs/dbraw/zinc/42/74/51/426427451.db2.gz	TWTHGYJOIMMVMM-UHFFFAOYSA-N	0	3	312.442	2.769	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1	ZINC000176968930	426429606	/nfs/dbraw/zinc/42/96/06/426429606.db2.gz	ZFFIDRNEMDDVFY-LLVKDONJSA-N	0	3	307.419	2.719	20	30		DFEDHN
N#Cc1ccc(CNCCCNC(=O)c2ccc(F)cc2)s1	ZINC000176967370	426429755	/nfs/dbraw/zinc/42/97/55/426429755.db2.gz	NICVPROAWYATTR-UHFFFAOYSA-N	0	3	317.389	2.669	20	30		DFEDHN
Cc1cc(C)cc(OCCNCc2cnc3ccc(C#N)cn23)c1	ZINC000123436731	426435116	/nfs/dbraw/zinc/43/51/16/426435116.db2.gz	KOFWMZHBWZKNHR-UHFFFAOYSA-N	0	3	320.396	2.991	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Nc1cccc(C#N)c1	ZINC000341272662	269057345	/nfs/dbraw/zinc/05/73/45/269057345.db2.gz	ZAFFCYQGVVYDOY-ZIAGYGMSSA-N	0	3	300.406	2.943	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NCCN(CC)C1CC1	ZINC000102068265	426487975	/nfs/dbraw/zinc/48/79/75/426487975.db2.gz	WPBKOYDDTHVOJQ-UHFFFAOYSA-N	0	3	307.463	2.930	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc3ccc(O)cc32)CC1	ZINC000154967996	426461124	/nfs/dbraw/zinc/46/11/24/426461124.db2.gz	NBEPLAHPEROSPJ-UHFFFAOYSA-N	0	3	308.381	2.829	20	30		DFEDHN
Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000155215719	426467094	/nfs/dbraw/zinc/46/70/94/426467094.db2.gz	XSLKQOAWDYDREE-YESZJQIVSA-N	0	3	313.445	2.933	20	30		DFEDHN
N#Cc1csc(CNCCCS(=O)(=O)c2ccccc2)c1	ZINC000177691466	426506644	/nfs/dbraw/zinc/50/66/44/426506644.db2.gz	HOLGMZBAUKVECP-UHFFFAOYSA-N	0	3	320.439	2.573	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1	ZINC000264151343	426507316	/nfs/dbraw/zinc/50/73/16/426507316.db2.gz	RVRAGAPDQMHQIQ-UHFFFAOYSA-N	0	3	316.420	2.565	20	30		DFEDHN
COC(=O)N1CCC([C@@H](C)NCc2ccc(C#N)cc2F)CC1	ZINC000186356079	426512391	/nfs/dbraw/zinc/51/23/91/426512391.db2.gz	YAEZNSMDRWCHTN-GFCCVEGCSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)cc2C#N)CCN1C	ZINC000177924049	426540093	/nfs/dbraw/zinc/54/00/93/426540093.db2.gz	PBBHOBZKUFDORR-SMDDNHRTSA-N	0	3	304.369	2.644	20	30		DFEDHN
CCC[C@@]1(COC)CCCN1CC(=O)NC1(C#N)CCCCC1	ZINC000194925930	426496097	/nfs/dbraw/zinc/49/60/97/426496097.db2.gz	UMZGYHZEMCOGLA-SFHVURJKSA-N	0	3	321.465	2.610	20	30		DFEDHN
N#Cc1ccc([C@H](O)CN2CC[C@H](COc3ccccc3)C2)cc1	ZINC000272541385	426554180	/nfs/dbraw/zinc/55/41/80/426554180.db2.gz	JPTROYXOFHQSCR-FXAWDEMLSA-N	0	3	322.408	2.993	20	30		DFEDHN
CN1CC[C@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000280634337	426620706	/nfs/dbraw/zinc/62/07/06/426620706.db2.gz	CRFPWRQORGOFPR-CQSZACIVSA-N	0	3	323.444	2.848	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccn(C(C)C)n1)C(C)C	ZINC000264912510	426580338	/nfs/dbraw/zinc/58/03/38/426580338.db2.gz	NQJIEDGFLVEQGI-QGZVFWFLSA-N	0	3	318.465	2.892	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N(CCN(C)C)C1CCCCC1	ZINC000280637349	426621770	/nfs/dbraw/zinc/62/17/70/426621770.db2.gz	MUDCNWHGVAUAFN-UHFFFAOYSA-N	0	3	303.406	2.796	20	30		DFEDHN
CN1CC[C@@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1	ZINC000280634334	426621834	/nfs/dbraw/zinc/62/18/34/426621834.db2.gz	CRFPWRQORGOFPR-AWEZNQCLSA-N	0	3	323.444	2.848	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)CC1CCN(C)CC1	ZINC000273183869	426609393	/nfs/dbraw/zinc/60/93/93/426609393.db2.gz	GWRAQZCYQNBBHC-UHFFFAOYSA-N	0	3	316.445	2.942	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OC)c(F)c2)CC1	ZINC000264470133	426560213	/nfs/dbraw/zinc/56/02/13/426560213.db2.gz	IRNIKCNSNMEVBN-UHFFFAOYSA-N	0	3	306.381	2.605	20	30		DFEDHN
CC[C@H](CNCc1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000227718014	426631566	/nfs/dbraw/zinc/63/15/66/426631566.db2.gz	UUDOESDBIRQRBD-OAHLLOKOSA-N	0	3	303.406	2.951	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1c(F)cc(C#N)cc1F	ZINC000273320050	426642673	/nfs/dbraw/zinc/64/26/73/426642673.db2.gz	WLYFIIKIKAQXDE-NSHDSACASA-N	0	3	321.371	2.639	20	30		DFEDHN
CC(C)OC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000533016814	269621860	/nfs/dbraw/zinc/62/18/60/269621860.db2.gz	JDSZWPRMCGRKSZ-UHFFFAOYSA-N	0	3	315.417	2.776	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@@H]3CN(C)CC[C@H]32)c1C#N	ZINC000273405540	426658945	/nfs/dbraw/zinc/65/89/45/426658945.db2.gz	WVILZRJGIPYQKS-IUODEOHRSA-N	0	3	304.825	2.836	20	30		DFEDHN
C=CCOc1ccccc1CNC1CCC(NC(C)=O)CC1	ZINC000236637184	426669885	/nfs/dbraw/zinc/66/98/85/426669885.db2.gz	HGOATBREDWKLRV-UHFFFAOYSA-N	0	3	302.418	2.788	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000187550256	426672452	/nfs/dbraw/zinc/67/24/52/426672452.db2.gz	PRUAZIGOYGCIPP-QGZVFWFLSA-N	0	3	301.434	2.724	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1	ZINC000280861749	426672934	/nfs/dbraw/zinc/67/29/34/426672934.db2.gz	ZGYWUXGQUHYCCU-RWMBFGLXSA-N	0	3	303.406	2.556	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1	ZINC000178692253	426677104	/nfs/dbraw/zinc/67/71/04/426677104.db2.gz	UGFRRZBZUPRSRF-GJZGRUSLSA-N	0	3	304.459	2.927	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(CN(C)C)c1	ZINC000280639059	426622799	/nfs/dbraw/zinc/62/27/99/426622799.db2.gz	MXHIVLDNGUNJTO-DOTOQJQBSA-N	0	3	317.433	2.851	20	30		DFEDHN
C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1	ZINC000273242614	426624659	/nfs/dbraw/zinc/62/46/59/426624659.db2.gz	FXDLAGVQILYBLB-JKSUJKDBSA-N	0	3	321.424	2.956	20	30		DFEDHN
CCOC(=O)N[C@@H](CNCc1ccc(C#N)cc1)CC(C)C	ZINC000236912604	426688232	/nfs/dbraw/zinc/68/82/32/426688232.db2.gz	VVEVAWJAFWDEFD-MRXNPFEDSA-N	0	3	303.406	2.809	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc(OC(C)C)cc2)C1=O	ZINC000281207513	426705395	/nfs/dbraw/zinc/70/53/95/426705395.db2.gz	NOGSSNRWECGRAK-PBHICJAKSA-N	0	3	302.418	2.911	20	30		DFEDHN
CC(C)N(CC#Cc1ccc(OC(F)(F)F)cc1)CCO	ZINC000178920853	426719238	/nfs/dbraw/zinc/71/92/38/426719238.db2.gz	FYWVJBLZSIKZPO-UHFFFAOYSA-N	0	3	301.308	2.639	20	30		DFEDHN
N#Cc1ccccc1OCCN1CC[C@H](OCc2ccncc2)C1	ZINC000280959869	426694909	/nfs/dbraw/zinc/69/49/09/426694909.db2.gz	JPULKBMFWDINGK-SFHVURJKSA-N	0	3	323.396	2.623	20	30		DFEDHN
N#Cc1ccc(CN(C(=O)[C@@H](C2CC2)N2CCCC2)C2CC2)cc1	ZINC000273605054	426694872	/nfs/dbraw/zinc/69/48/72/426694872.db2.gz	PYJKUOWIUUVPLM-LJQANCHMSA-N	0	3	323.440	2.924	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1	ZINC000245738262	426767972	/nfs/dbraw/zinc/76/79/72/426767972.db2.gz	LGFVEAHVCFSHID-KYJSFNMBSA-N	0	3	300.402	2.978	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)CSc2ccc(C#N)cc2)C1	ZINC000274442999	426769097	/nfs/dbraw/zinc/76/90/97/426769097.db2.gz	HSPQZIQYROPUBE-HNNXBMFYSA-N	0	3	317.458	2.639	20	30		DFEDHN
C[C@H]1C[C@H](Nc2nc3cc(Cl)ccn3c2C#N)CN1C1CC1	ZINC000290503683	426778969	/nfs/dbraw/zinc/77/89/69/426778969.db2.gz	AWYXREDRBAWANH-JQWIXIFHSA-N	0	3	315.808	2.896	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000245925716	426782246	/nfs/dbraw/zinc/78/22/46/426782246.db2.gz	SJCXTMLJMVUZTG-WMZOPIPTSA-N	0	3	323.440	2.798	20	30		DFEDHN
CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000245925712	426782530	/nfs/dbraw/zinc/78/25/30/426782530.db2.gz	SJCXTMLJMVUZTG-FUHWJXTLSA-N	0	3	323.440	2.798	20	30		DFEDHN
C=CCN1CC[C@H](N2CC[C@@H](CSc3ccccc3)C2)C1=O	ZINC000281893951	426786064	/nfs/dbraw/zinc/78/60/64/426786064.db2.gz	FBGOARLPZYJYGM-WBVHZDCISA-N	0	3	316.470	2.888	20	30		DFEDHN
C=CCN1CC[C@@H](N2CC[C@H](CSc3ccccc3)C2)C1=O	ZINC000281893922	426786290	/nfs/dbraw/zinc/78/62/90/426786290.db2.gz	FBGOARLPZYJYGM-DOTOQJQBSA-N	0	3	316.470	2.888	20	30		DFEDHN
COc1cc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)ccc1C#N	ZINC000281606193	426729436	/nfs/dbraw/zinc/72/94/36/426729436.db2.gz	GFUFZXZMEMJGGF-KZULUSFZSA-N	0	3	314.360	2.918	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](C)[C@@H](OC)C2)cc(OC)c1O	ZINC000188295652	426741364	/nfs/dbraw/zinc/74/13/64/426741364.db2.gz	AAVFEKFVVVZVBP-GUYCJALGSA-N	0	3	305.418	2.986	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc(OC(C)C)n2)CC1	ZINC000179054596	426742975	/nfs/dbraw/zinc/74/29/75/426742975.db2.gz	ZBIZNHQTUPUPCA-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=CCOc1ccc(CN2CCN3CCCC[C@H]3C2)cc1OC	ZINC000245550865	426751024	/nfs/dbraw/zinc/75/10/24/426751024.db2.gz	AOACYALNLDOLFE-KRWDZBQOSA-N	0	3	316.445	2.930	20	30		DFEDHN
CN1CCN(CCNc2c(Cl)cccc2C#N)CC1(C)C	ZINC000281717758	426751700	/nfs/dbraw/zinc/75/17/00/426751700.db2.gz	VBFLCKGKRICVOA-UHFFFAOYSA-N	0	3	306.841	2.650	20	30		DFEDHN
COc1cc(CN[C@H](C)CNC(=O)OC(C)(C)C)ccc1C#N	ZINC000281724859	426752237	/nfs/dbraw/zinc/75/22/37/426752237.db2.gz	PJOGOKGOMWUTAI-GFCCVEGCSA-N	0	3	319.405	2.570	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)[nH]1	ZINC000274394976	426759068	/nfs/dbraw/zinc/75/90/68/426759068.db2.gz	CSWZODSZRUIICK-GOSISDBHSA-N	0	3	324.428	2.773	20	30		DFEDHN
COc1cc(CNC[C@H]2COC3(CCCCC3)O2)ccc1C#N	ZINC000281768019	426761200	/nfs/dbraw/zinc/76/12/00/426761200.db2.gz	SESLOHLCBBWTME-INIZCTEOSA-N	0	3	316.401	2.732	20	30		DFEDHN
C=CCCCCNC(=O)NCc1cccc(OCCN(C)C)c1	ZINC000274599167	426799426	/nfs/dbraw/zinc/79/94/26/426799426.db2.gz	QUZLFIQAJXMAHA-UHFFFAOYSA-N	0	3	319.449	2.783	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1C)C(C)C	ZINC000274636891	426806360	/nfs/dbraw/zinc/80/63/60/426806360.db2.gz	YFWMDZRUCOIQJC-KRWDZBQOSA-N	0	3	301.434	2.818	20	30		DFEDHN
C#CCNC(=O)[C@@H](C)Nc1cccc2c1CN([C@H](C)C(C)C)C2	ZINC000246173200	426807933	/nfs/dbraw/zinc/80/79/33/426807933.db2.gz	DBGITWYGTXBUGD-HUUCEWRRSA-N	0	3	313.445	2.597	20	30		DFEDHN
CN(C)[C@@]1(CNc2c(C#N)cnc3ccccc32)CCSC1	ZINC000267032443	426814627	/nfs/dbraw/zinc/81/46/27/426814627.db2.gz	BHNHLPOJMSJKEJ-QGZVFWFLSA-N	0	3	312.442	2.956	20	30		DFEDHN
N#Cc1ccc(N2CCN(C3CCOCC3)CC2)cc1Cl	ZINC000267069015	426820265	/nfs/dbraw/zinc/82/02/65/426820265.db2.gz	QHCNRJOCDDWZQI-UHFFFAOYSA-N	0	3	305.809	2.513	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@]2(CC=CCC2)C1	ZINC000246343844	426822713	/nfs/dbraw/zinc/82/27/13/426822713.db2.gz	IHKBFRNDZODXOG-SJLPKXTDSA-N	0	3	303.450	2.817	20	30		DFEDHN
CCOC(=O)N1CCC([C@H](C)NCc2ccccc2C#N)CC1	ZINC000189370961	426847033	/nfs/dbraw/zinc/84/70/33/426847033.db2.gz	BKRUWJRMYIGBEN-AWEZNQCLSA-N	0	3	315.417	2.905	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(CCF)CC1	ZINC000290849334	426854690	/nfs/dbraw/zinc/85/46/90/426854690.db2.gz	ZXMOMTTVSKHTAK-UHFFFAOYSA-N	0	3	317.408	2.588	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)cc1	ZINC000290869299	426860053	/nfs/dbraw/zinc/86/00/53/426860053.db2.gz	ZNMXLDPOOXLFNN-AEFFLSMTSA-N	0	3	312.413	2.562	20	30		DFEDHN
C#CCOc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1	ZINC000246766710	426863673	/nfs/dbraw/zinc/86/36/73/426863673.db2.gz	PSDDHFYTUDVNMH-QFBILLFUSA-N	0	3	309.413	2.978	20	30		DFEDHN
CCOCCC[N@@H+]1CC[C@H](/N=C/c2ccccc2[O-])[C@@H](C)C1	ZINC000246859209	426872425	/nfs/dbraw/zinc/87/24/25/426872425.db2.gz	RLDCTCNGDUAXFH-PZBJVBIWSA-N	0	3	304.434	2.948	20	30		DFEDHN
CCOCCC[N@H+]1CC[C@H](/N=C/c2ccccc2[O-])[C@@H](C)C1	ZINC000246859209	426872430	/nfs/dbraw/zinc/87/24/30/426872430.db2.gz	RLDCTCNGDUAXFH-PZBJVBIWSA-N	0	3	304.434	2.948	20	30		DFEDHN
COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1C#N	ZINC000282311373	426877583	/nfs/dbraw/zinc/87/75/83/426877583.db2.gz	MZOSXIXHRRMYFH-WMLDXEAASA-N	0	3	310.401	2.846	20	30		DFEDHN
CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000267529523	426882911	/nfs/dbraw/zinc/88/29/11/426882911.db2.gz	PSWLRDTZUQTBAY-IRXDYDNUSA-N	0	3	313.445	2.953	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC1(C(F)F)CC1)C(C)C	ZINC000337628281	426888049	/nfs/dbraw/zinc/88/80/49/426888049.db2.gz	FYDIYNDWVRGWPB-ZDUSSCGKSA-N	0	3	315.408	2.782	20	30		DFEDHN
C#CCN1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c2ccccc2)C1	ZINC000282835843	426925547	/nfs/dbraw/zinc/92/55/47/426925547.db2.gz	SLQANBOGNCYKDG-SJORKVTESA-N	0	3	314.429	2.860	20	30		DFEDHN
C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(C#N)cc1	ZINC000181475459	426952105	/nfs/dbraw/zinc/95/21/05/426952105.db2.gz	ZYFUVRQKBRSTAY-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C[C@H](N[C@@H]1CCC(=O)NC12CCC2)c1ccc(C#N)c(F)c1	ZINC000283145959	426963171	/nfs/dbraw/zinc/96/31/71/426963171.db2.gz	HQDRJZCFOUGNKT-XHDPSFHLSA-N	0	3	301.365	2.549	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(OC)c(Br)c1	ZINC000320312294	426967020	/nfs/dbraw/zinc/96/70/20/426967020.db2.gz	VNNFNDHZRYRWCF-LBPRGKRZSA-N	0	3	314.223	2.874	20	30		DFEDHN
CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2	ZINC000181939773	426994670	/nfs/dbraw/zinc/99/46/70/426994670.db2.gz	IIBZPSQPRSOJRB-BBRMVZONSA-N	0	3	309.417	2.939	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000248050427	426974762	/nfs/dbraw/zinc/97/47/62/426974762.db2.gz	NRRDYUWGUFDIRG-SJLPKXTDSA-N	0	3	302.418	2.531	20	30		DFEDHN
CC(C)(C)n1ncnc1CNC(=O)[C@@H]1CCCN1C1CCCC1	ZINC000328657422	426984469	/nfs/dbraw/zinc/98/44/69/426984469.db2.gz	OZAFQQCXLJOIHP-AWEZNQCLSA-N	0	3	319.453	2.897	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)s1	ZINC000247354404	426929711	/nfs/dbraw/zinc/92/97/11/426929711.db2.gz	JZALPNXZWJNPST-CHWSQXEVSA-N	0	3	322.478	2.591	20	30		DFEDHN
C=CCCOCCN[C@@H](CCn1cncn1)c1ccc(C)cc1	ZINC000275857019	426933705	/nfs/dbraw/zinc/93/37/05/426933705.db2.gz	MAAVXFIHRMVKMI-SFHVURJKSA-N	0	3	314.433	2.900	20	30		DFEDHN
C[C@@H]1CN(C[C@H]2CCCN2CC#Cc2ccccc2)C[C@@H](C)O1	ZINC000248889041	427058230	/nfs/dbraw/zinc/05/82/30/427058230.db2.gz	RRBSEVSWYYVGFE-QWFCFKBJSA-N	0	3	312.457	2.612	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cn(C2CC2)c(C)cc1=O	ZINC000329175577	427059203	/nfs/dbraw/zinc/05/92/03/427059203.db2.gz	BOJCUGIZOQUSLL-HNNXBMFYSA-N	0	3	317.433	2.671	20	30		DFEDHN
CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2	ZINC000329194690	427060001	/nfs/dbraw/zinc/06/00/01/427060001.db2.gz	SBCDMGOJFQEFOJ-NXEZZACHSA-N	0	3	322.434	2.564	20	30		DFEDHN
C[C@@]1(NC(=O)CC2(N3CCOCC3)CCCC2)CCCOC1	ZINC000329180166	427060534	/nfs/dbraw/zinc/06/05/34/427060534.db2.gz	OBIIDKCSQYVUIH-MRXNPFEDSA-N	0	3	310.438	2.547	20	30		DFEDHN
Cc1ccc(CN(CCO)CCOc2cccc(C#N)c2)cc1	ZINC000181966311	427003235	/nfs/dbraw/zinc/00/32/35/427003235.db2.gz	HFNWRJRCFIRISJ-UHFFFAOYSA-N	0	3	310.397	2.740	20	30		DFEDHN
Cc1ccc(C(=O)NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)s1	ZINC000328871125	427007679	/nfs/dbraw/zinc/00/76/79/427007679.db2.gz	YFFWNPMRYIQLDY-UKRRQHHQSA-N	0	3	317.458	2.943	20	30		DFEDHN
CCOC(=O)C1CCC(NCc2ccc(C#N)cc2F)CC1	ZINC000182191675	427021136	/nfs/dbraw/zinc/02/11/36/427021136.db2.gz	NOYRJZOZKMKQCH-UHFFFAOYSA-N	0	3	304.365	2.909	20	30		DFEDHN
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCCN1C1CCCC1	ZINC000329097966	427041744	/nfs/dbraw/zinc/04/17/44/427041744.db2.gz	CNPQZNHWGBOVDS-UWWQBHOKSA-N	0	3	322.449	2.688	20	30		DFEDHN
CN(C(=O)C1(C#N)CCCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000268541877	427047472	/nfs/dbraw/zinc/04/74/72/427047472.db2.gz	LGPGUCPPGQOAEZ-QGZVFWFLSA-N	0	3	311.429	2.803	20	30		DFEDHN
C=CCOCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000248838232	427050682	/nfs/dbraw/zinc/05/06/82/427050682.db2.gz	NJOJJKYJBZCRLQ-FUHWJXTLSA-N	0	3	316.445	2.606	20	30		DFEDHN
CN(C(=O)NCCCCC#N)[C@H]1CCN(Cc2ccccc2)C1	ZINC000268611182	427069624	/nfs/dbraw/zinc/06/96/24/427069624.db2.gz	WIBSMBHDPJIRFF-KRWDZBQOSA-N	0	3	314.433	2.596	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000268643583	427077040	/nfs/dbraw/zinc/07/70/40/427077040.db2.gz	NMXLUYOJDXUNEO-HOTGVXAUSA-N	0	3	303.402	2.922	20	30		DFEDHN
N#CCOc1ccc(CN2CC[C@H](Oc3ccccn3)C2)cc1	ZINC000268640125	427078242	/nfs/dbraw/zinc/07/82/42/427078242.db2.gz	DKVWPVBHKKJHOX-KRWDZBQOSA-N	0	3	309.369	2.637	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCOCC1)C1CC1	ZINC000329504654	427128812	/nfs/dbraw/zinc/12/88/12/427128812.db2.gz	ZGJUCWZJDWEIQI-NVXWUHKLSA-N	0	3	305.422	2.526	20	30		DFEDHN
NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1	ZINC000329290345	427083671	/nfs/dbraw/zinc/08/36/71/427083671.db2.gz	ALVFRMNDXKETEQ-UKRRQHHQSA-N	0	3	322.453	2.555	20	30		DFEDHN
C=CCC[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccco1	ZINC000276511046	427088384	/nfs/dbraw/zinc/08/83/84/427088384.db2.gz	ZEXPTHBLIRQWCE-HUUCEWRRSA-N	0	3	307.390	2.799	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN1CCC[C@H]1C1CCOCC1)C1CC1	ZINC000329504647	427129260	/nfs/dbraw/zinc/12/92/60/427129260.db2.gz	ZGJUCWZJDWEIQI-DOTOQJQBSA-N	0	3	305.422	2.526	20	30		DFEDHN
C=CCN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1	ZINC000276555038	427098047	/nfs/dbraw/zinc/09/80/47/427098047.db2.gz	YUJHQHPMLZAUEO-UHFFFAOYSA-N	0	3	302.378	2.625	20	30		DFEDHN
CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C	ZINC000329353127	427099351	/nfs/dbraw/zinc/09/93/51/427099351.db2.gz	FBAFOJOXIUHOKG-KBRIMQKVSA-N	0	3	321.465	2.607	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1oc2ccc(OC)cc2c1C	ZINC000268778816	427113179	/nfs/dbraw/zinc/11/31/79/427113179.db2.gz	BIIOQNQVFQTGMW-CYBMUJFWSA-N	0	3	314.385	2.540	20	30		DFEDHN
C[C@H](CNC(=O)[C@@H]1CCn2cncc2C1)N1CCC[C@@H](C)C1	ZINC000329426596	427113730	/nfs/dbraw/zinc/11/37/30/427113730.db2.gz	HBZRTIDMUMXLNX-RBSFLKMASA-N	0	3	304.438	2.522	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCn2cncc2C1	ZINC000329429944	427114216	/nfs/dbraw/zinc/11/42/16/427114216.db2.gz	HZKGVWKVQDJWIA-ILXRZTDVSA-N	0	3	304.438	2.522	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000276614121	427115717	/nfs/dbraw/zinc/11/57/17/427115717.db2.gz	JHLSMITWYPYRGY-PXAZEXFGSA-N	0	3	301.365	2.902	20	30		DFEDHN
CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)[C@]12CCCO2	ZINC000329446314	427119754	/nfs/dbraw/zinc/11/97/54/427119754.db2.gz	COWUAYNDHFJIHK-LSFSDZQMSA-N	0	3	324.465	2.931	20	30		DFEDHN
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)C1=CCN(C)CC1	ZINC000329474217	427123478	/nfs/dbraw/zinc/12/34/78/427123478.db2.gz	AVAYTGLTJZOSHZ-ZDUSSCGKSA-N	0	3	315.417	2.968	20	30		DFEDHN
CCO[C@H](C)c1ncc(C(=O)NCC2=CCN(C)CC2)s1	ZINC000329212547	427064171	/nfs/dbraw/zinc/06/41/71/427064171.db2.gz	HXDGYPJFXAOMSE-LLVKDONJSA-N	0	3	309.435	2.807	20	30		DFEDHN
O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H](C1CC1)N1CCCC1	ZINC000329523238	427133521	/nfs/dbraw/zinc/13/35/21/427133521.db2.gz	PVQTYEXNXQKYOB-CVEARBPZSA-N	0	3	322.449	2.546	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C2	ZINC000329520214	427133904	/nfs/dbraw/zinc/13/39/04/427133904.db2.gz	OIFALHPSMYUMRP-YCPHGPKFSA-N	0	3	318.465	2.831	20	30		DFEDHN
C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000329582638	427146546	/nfs/dbraw/zinc/14/65/46/427146546.db2.gz	QIOKPWLNHAILQA-XQLPTFJDSA-N	0	3	319.449	2.961	20	30		DFEDHN
CCc1ccc([C@@H](CNCc2cc(C#N)n(C)c2)N(C)C)cc1	ZINC000190670017	427157036	/nfs/dbraw/zinc/15/70/36/427157036.db2.gz	OVKLOUMRLVSZJC-LJQANCHMSA-N	0	3	310.445	2.852	20	30		DFEDHN
CN(Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(CO)CO	ZINC000269323909	427171479	/nfs/dbraw/zinc/17/14/79/427171479.db2.gz	RFDNORLYRGHRNU-UHFFFAOYSA-N	0	3	324.424	2.648	20	30		DFEDHN
C[C@H]1CN(c2nc(Cl)c(C#N)s2)CCN(C2CCC2)C1	ZINC000292425510	427179544	/nfs/dbraw/zinc/17/95/44/427179544.db2.gz	WWBJIKIUUUDYOO-SNVBAGLBSA-N	0	3	310.854	2.979	20	30		DFEDHN
CN(C)C1(CNCc2ccc(C#N)cc2F)Cc2ccccc2C1	ZINC000269399031	427186004	/nfs/dbraw/zinc/18/60/04/427186004.db2.gz	FQXPUXVQKBLGGF-UHFFFAOYSA-N	0	3	323.415	2.886	20	30		DFEDHN
Cn1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C#N	ZINC000190845104	427187679	/nfs/dbraw/zinc/18/76/79/427187679.db2.gz	FDEYWECIAQXGBP-LJQANCHMSA-N	0	3	323.396	2.909	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C)c(C#N)cc1Cl	ZINC000292534943	427194071	/nfs/dbraw/zinc/19/40/71/427194071.db2.gz	HYEHVVIEWSEQGZ-KGLIPLIRSA-N	0	3	304.825	2.978	20	30		DFEDHN
N#Cc1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c(F)c1	ZINC000269461919	427202825	/nfs/dbraw/zinc/20/28/25/427202825.db2.gz	YGKBMHVIOBBWHV-GOEBONIOSA-N	0	3	306.406	2.842	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c(F)c1	ZINC000269461928	427203200	/nfs/dbraw/zinc/20/32/00/427203200.db2.gz	YGKBMHVIOBBWHV-ZBFHGGJFSA-N	0	3	306.406	2.842	20	30		DFEDHN
CC(C)[C@@H](CNc1cccc(Cl)c1C#N)N1CCN(C)CC1	ZINC000296513611	427205980	/nfs/dbraw/zinc/20/59/80/427205980.db2.gz	MGBYWGZIRONMRF-QGZVFWFLSA-N	0	3	320.868	2.896	20	30		DFEDHN
CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)C1	ZINC000296517763	427208772	/nfs/dbraw/zinc/20/87/72/427208772.db2.gz	OPFPVBLWDQWHEP-QGZVFWFLSA-N	0	3	316.380	2.647	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H](C)[C@H](C)C(=O)OCC)cc1	ZINC000190958439	427215606	/nfs/dbraw/zinc/21/56/06/427215606.db2.gz	RKBICOVHDGSZBN-LSDHHAIUSA-N	0	3	303.402	2.766	20	30		DFEDHN
Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)cc1C	ZINC000330657687	427284545	/nfs/dbraw/zinc/28/45/45/427284545.db2.gz	WASBKIXWBKPEBM-UONOGXRCSA-N	0	3	305.422	2.781	20	30		DFEDHN
N#Cc1ccnc(N2CCN(C[C@H]3CCCC(F)(F)C3)CC2)c1	ZINC000338266886	427223632	/nfs/dbraw/zinc/22/36/32/427223632.db2.gz	REYJBKIFMSKSAK-HNNXBMFYSA-N	0	3	320.387	2.901	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCCO1)C(C)C	ZINC000338272820	427226654	/nfs/dbraw/zinc/22/66/54/427226654.db2.gz	VMQCHQLMWWDCTO-IAGOWNOFSA-N	0	3	323.481	2.553	20	30		DFEDHN
CCOC1CC2(C1)CCN(Cc1ccc(OC)c(C#N)c1)C2	ZINC000285429324	427229110	/nfs/dbraw/zinc/22/91/10/427229110.db2.gz	HEEXMVIMAXLTLS-UHFFFAOYSA-N	0	3	300.402	2.958	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@]2(CC)CO)cc1OC	ZINC000191012253	427229918	/nfs/dbraw/zinc/22/99/18/427229918.db2.gz	WTSVITUITPZRMQ-GOSISDBHSA-N	0	3	305.418	2.997	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cnn1CC(C)C	ZINC000330465229	427244092	/nfs/dbraw/zinc/24/40/92/427244092.db2.gz	WIRFSEAWXTYJFJ-ZIAGYGMSSA-N	0	3	306.454	2.889	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NOCc2ccc(F)cc2)CC1	ZINC000183345223	427250784	/nfs/dbraw/zinc/25/07/84/427250784.db2.gz	NWYRZQOCCRMBME-UHFFFAOYSA-N	0	3	321.396	2.597	20	30		DFEDHN
CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1	ZINC000330565365	427264623	/nfs/dbraw/zinc/26/46/23/427264623.db2.gz	KMGJPJYLPUYQMQ-KGLIPLIRSA-N	0	3	306.454	2.969	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285587088	427281440	/nfs/dbraw/zinc/28/14/40/427281440.db2.gz	HPMREYBXZCQCFG-IAQYHMDHSA-N	0	3	305.809	2.670	20	30		DFEDHN
C[C@H]1CC[C@@H](C(N)=O)CN1CCC(=O)Nc1sccc1C#N	ZINC000330662839	427287498	/nfs/dbraw/zinc/28/74/98/427287498.db2.gz	DMUZSXIDAKKWKX-CMPLNLGQSA-N	0	3	320.418	2.584	20	30		DFEDHN
C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1Br	ZINC000331133869	427352637	/nfs/dbraw/zinc/35/26/37/427352637.db2.gz	CBLYLSAQRGHYET-LSDHHAIUSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H](Cc1ccccc1)CN(C)C)OCC	ZINC000270016688	427315991	/nfs/dbraw/zinc/31/59/91/427315991.db2.gz	HJYXGAMGGQKVFS-MSOLQXFVSA-N	0	3	318.461	2.647	20	30		DFEDHN
CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H](OC)C(C)C)C1	ZINC000330958267	427321363	/nfs/dbraw/zinc/32/13/63/427321363.db2.gz	WLVLJIFXFQRWLG-HUUCEWRRSA-N	0	3	322.453	2.667	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H](CCO)C1CCCCC1	ZINC000183703417	427322441	/nfs/dbraw/zinc/32/24/41/427322441.db2.gz	ANMYHTGSXKJEOP-KRWDZBQOSA-N	0	3	302.418	2.988	20	30		DFEDHN
N#Cc1ccccc1N1CCN(C[C@H](O)C2CCCCC2)CC1	ZINC000191329287	427322716	/nfs/dbraw/zinc/32/27/16/427322716.db2.gz	CODZEHDZTSFTGP-IBGZPJMESA-N	0	3	313.445	2.621	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(N)=O)cc2F)CCN1C	ZINC000331040578	427329595	/nfs/dbraw/zinc/32/95/95/427329595.db2.gz	CGFNSUJLRNGODI-ZYHUDNBSSA-N	0	3	322.384	2.669	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C#N)ccc2Cl)C1	ZINC000285765711	427332281	/nfs/dbraw/zinc/33/22/81/427332281.db2.gz	MVDWSKZIMUTVCH-BBRMVZONSA-N	0	3	317.820	2.768	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(C#N)ccc1F	ZINC000270412352	427348489	/nfs/dbraw/zinc/34/84/89/427348489.db2.gz	DOYRVAUWUYUPGS-YOEHRIQHSA-N	0	3	304.365	2.909	20	30		DFEDHN
CC[C@H](C)n1nc(NC(=O)NCCN2CCCC[C@H]2C)cc1C	ZINC000330679500	427291018	/nfs/dbraw/zinc/29/10/18/427291018.db2.gz	DPGDUZMGZRMVQC-UONOGXRCSA-N	0	3	321.469	3.363	20	30		DFEDHN
COCC[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C	ZINC000338384686	427293160	/nfs/dbraw/zinc/29/31/60/427293160.db2.gz	SZRYWCKQZXRFPD-HNNXBMFYSA-N	0	3	303.406	2.538	20	30		DFEDHN
COc1ccc(CN(C)C[C@@H](O)Cc2ccccc2)cc1C#N	ZINC000293356736	427297478	/nfs/dbraw/zinc/29/74/78/427297478.db2.gz	NZZVSSNKKHHTBA-SFHVURJKSA-N	0	3	310.397	2.602	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)C(c1ccccc1)c1ccccc1	ZINC000184005311	427373177	/nfs/dbraw/zinc/37/31/77/427373177.db2.gz	YHMLFFNDUHADOR-IRXDYDNUSA-N	0	3	320.436	2.935	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)N[C@@H](C)C1=CCN(C)CC1	ZINC000331213870	427373143	/nfs/dbraw/zinc/37/31/43/427373143.db2.gz	MDRUJWCLXQTVOK-ZDUSSCGKSA-N	0	3	303.406	2.744	20	30		DFEDHN
Cn1cc(CNCc2cc(C#N)n(C)c2)c(-c2ccccc2)n1	ZINC000191582474	427381249	/nfs/dbraw/zinc/38/12/49/427381249.db2.gz	KBDBQYVVVPMMRK-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CN(C)C)c1ccccc1	ZINC000331261608	427386306	/nfs/dbraw/zinc/38/63/06/427386306.db2.gz	CEMMUICLMBNDSP-BBWFWOEESA-N	0	3	319.449	2.751	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCOCC2(CCOCC2)C1	ZINC000184083531	427390303	/nfs/dbraw/zinc/39/03/03/427390303.db2.gz	LZLMKBKAXRFTFO-OAHLLOKOSA-N	0	3	300.402	2.748	20	30		DFEDHN
Cc1nsc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1C#N	ZINC000297306593	427394969	/nfs/dbraw/zinc/39/49/69/427394969.db2.gz	BNKHPQLYAPHFNY-LLVKDONJSA-N	0	3	321.450	2.517	20	30		DFEDHN
C=CC[C@H]1N(CC(=O)N2CCC[C@H](C(N)=O)C2)CCCC1(C)C	ZINC000331298001	427395593	/nfs/dbraw/zinc/39/55/93/427395593.db2.gz	OYILBJTZSMEDTG-LSDHHAIUSA-N	0	3	321.465	2.827	20	30		DFEDHN
CCCCn1ncc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C	ZINC000331322142	427398734	/nfs/dbraw/zinc/39/87/34/427398734.db2.gz	MCAKRNLNZYFENG-DZGCQCFKSA-N	0	3	321.469	2.952	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@]1(CO)CC(C)C	ZINC000191656858	427398768	/nfs/dbraw/zinc/39/87/68/427398768.db2.gz	ZTGFCGMEPXDRCT-GOSISDBHSA-N	0	3	302.418	2.940	20	30		DFEDHN
Cc1cc(C)c(NC(=O)NC[C@]2(N(C)C)CCSC2)c(C)n1	ZINC000331335542	427400101	/nfs/dbraw/zinc/40/01/01/427400101.db2.gz	QCKZZHPYHCLLND-MRXNPFEDSA-N	0	3	322.478	2.770	20	30		DFEDHN
COCCCOc1cccc(CNCc2cc(C#N)n(C)c2)c1	ZINC000191464976	427357050	/nfs/dbraw/zinc/35/70/50/427357050.db2.gz	WYLJIQYTWWBUJN-UHFFFAOYSA-N	0	3	313.401	2.602	20	30		DFEDHN
C#CCOc1ccc(C(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1	ZINC000271003204	427366964	/nfs/dbraw/zinc/36/69/64/427366964.db2.gz	YIQGPWIIHRSICJ-OAHLLOKOSA-N	0	3	314.429	2.501	20	30		DFEDHN
C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CC(C)(C)O1	ZINC000331196152	427367734	/nfs/dbraw/zinc/36/77/34/427367734.db2.gz	NKVZKZFEPWXAFC-ZBFHGGJFSA-N	0	3	300.402	2.785	20	30		DFEDHN
N#Cc1ccnc(NCC2(N3CCSCC3)CCCC2)c1	ZINC000286188939	427449528	/nfs/dbraw/zinc/44/95/28/427449528.db2.gz	QRCGJGHRXRBOKW-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000278710557	427450597	/nfs/dbraw/zinc/45/05/97/427450597.db2.gz	BVIGRWVASWEVEJ-OLZOCXBDSA-N	0	3	303.381	2.548	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)cc1F)C2	ZINC000271208277	427451298	/nfs/dbraw/zinc/45/12/98/427451298.db2.gz	GYHAKQZSYFZGSQ-OAHLLOKOSA-N	0	3	312.344	2.799	20	30		DFEDHN
C=CCOc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1OC	ZINC000271242672	427465256	/nfs/dbraw/zinc/46/52/56/427465256.db2.gz	GJRYIONVQBDXPQ-JKSUJKDBSA-N	0	3	305.418	2.853	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2n[nH]c(C)n2)C1	ZINC000271253166	427467540	/nfs/dbraw/zinc/46/75/40/427467540.db2.gz	FDTXLDVKAJKZDT-MRXNPFEDSA-N	0	3	310.401	2.505	20	30		DFEDHN
C#CCOc1ccccc1CN1CCC[C@@H](c2nc(C)n[nH]2)C1	ZINC000271253166	427467547	/nfs/dbraw/zinc/46/75/47/427467547.db2.gz	FDTXLDVKAJKZDT-MRXNPFEDSA-N	0	3	310.401	2.505	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cn[nH]c1	ZINC000331655810	427470722	/nfs/dbraw/zinc/47/07/22/427470722.db2.gz	VJEMQYRDUALSJB-SWLSCSKDSA-N	0	3	313.380	2.740	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)[C@@H](CC)C2)ccc1OC	ZINC000271273005	427477415	/nfs/dbraw/zinc/47/74/15/427477415.db2.gz	KBLLLHDQDIXYTO-HOTGVXAUSA-N	0	3	305.418	2.853	20	30		DFEDHN
Cc1nsc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1C#N	ZINC000286310816	427486147	/nfs/dbraw/zinc/48/61/47/427486147.db2.gz	TWJGCIRQJFHXTB-WFASDCNBSA-N	0	3	302.447	2.776	20	30		DFEDHN
CCN1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000286099801	427423617	/nfs/dbraw/zinc/42/36/17/427423617.db2.gz	KZXLDZDUZDNXAG-UHFFFAOYSA-N	0	3	303.797	2.756	20	30		DFEDHN
C#Cc1ccc(CN2CCCN(Cc3cscn3)CC2)cc1	ZINC000278899687	427493244	/nfs/dbraw/zinc/49/32/44/427493244.db2.gz	ISKNUXVXACTSRG-UHFFFAOYSA-N	0	3	311.454	2.832	20	30		DFEDHN
C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)CCS1	ZINC000192183181	427500245	/nfs/dbraw/zinc/50/02/45/427500245.db2.gz	SOUNYONRDIPSKE-NSHDSACASA-N	0	3	309.460	2.776	20	30		DFEDHN
Cc1cccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192243406	427507404	/nfs/dbraw/zinc/50/74/04/427507404.db2.gz	BNIYSLBCIJFQON-IBGZPJMESA-N	0	3	319.408	2.757	20	30		DFEDHN
COc1ccc(CNCCc2cccc(C#N)c2)cc1[N+](=O)[O-]	ZINC000341472678	271831008	/nfs/dbraw/zinc/83/10/08/271831008.db2.gz	CZULJWYUMZDGQW-UHFFFAOYSA-N	0	3	311.341	2.807	20	30		DFEDHN
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN2CCC[C@@H]2C1	ZINC000338864304	427526978	/nfs/dbraw/zinc/52/69/78/427526978.db2.gz	PMWFEJTWDXDPFS-HUUCEWRRSA-N	0	3	303.454	2.652	20	30		DFEDHN
C[C@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCCC2	ZINC000286434854	427528322	/nfs/dbraw/zinc/52/83/22/427528322.db2.gz	SCJYAHUCLHEGPW-YOEHRIQHSA-N	0	3	310.445	2.895	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1	ZINC000271476256	427553508	/nfs/dbraw/zinc/55/35/08/427553508.db2.gz	RVSRTJUPEBKUBS-UHFFFAOYSA-N	0	3	303.362	2.882	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@H]2CC[C@@H](C#N)C2)CC1	ZINC000339001412	427615560	/nfs/dbraw/zinc/61/55/60/427615560.db2.gz	HIXIWLBUSAVZNJ-WBVHZDCISA-N	0	3	312.413	2.885	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1	ZINC000263963828	427621624	/nfs/dbraw/zinc/62/16/24/427621624.db2.gz	TWHRFFKDLUTMNR-MRXNPFEDSA-N	0	3	312.457	2.814	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000192599966	427570713	/nfs/dbraw/zinc/57/07/13/427570713.db2.gz	GSDDVPOTYGQWDG-QFBILLFUSA-N	0	3	306.409	2.698	20	30		DFEDHN
C=CCOCCN(C)C[C@H](O)c1cccc(Br)c1	ZINC000298378946	427590361	/nfs/dbraw/zinc/59/03/61/427590361.db2.gz	NWFWNRNAUGPGOY-AWEZNQCLSA-N	0	3	314.223	2.617	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H](C)CN1CCCCC1	ZINC000192779068	427608753	/nfs/dbraw/zinc/60/87/53/427608753.db2.gz	UHJKBYGPCDCVKC-OAHLLOKOSA-N	0	3	302.418	2.856	20	30		DFEDHN
C[C@@H](NCc1ccc(Br)cc1C#N)[C@@H]1CCOC1	ZINC000287613247	427652170	/nfs/dbraw/zinc/65/21/70/427652170.db2.gz	DVQQEONYHOTUAP-ZYHUDNBSSA-N	0	3	309.207	2.835	20	30		DFEDHN
C=CCOCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000339062857	427655085	/nfs/dbraw/zinc/65/50/85/427655085.db2.gz	NFXAHSLXMOJPPO-ZDUSSCGKSA-N	0	3	316.323	2.756	20	30		DFEDHN
CC#CCN(C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000298484530	427624635	/nfs/dbraw/zinc/62/46/35/427624635.db2.gz	TVGVPHYRJJLLEI-UHFFFAOYSA-N	0	3	324.808	2.641	20	30		DFEDHN
C[C@H]1CCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000342565416	272026046	/nfs/dbraw/zinc/02/60/46/272026046.db2.gz	GQRBVHUTXNDUHD-MAUKXSAKSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000342752653	272051047	/nfs/dbraw/zinc/05/10/47/272051047.db2.gz	LHLLBLPCFIDPMD-MAUKXSAKSA-N	0	3	323.440	2.675	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(O)(Cc3ccc(F)cc3)CC2)C1	ZINC000339098859	427674243	/nfs/dbraw/zinc/67/42/43/427674243.db2.gz	LIXDDZLFXBLCJF-NVXWUHKLSA-N	0	3	302.393	2.887	20	30		DFEDHN
C=CCOCCN(C)C[C@H]1C[C@@H](F)CN1Cc1cccs1	ZINC000339110975	427679967	/nfs/dbraw/zinc/67/99/67/427679967.db2.gz	WWRNFDWRLCBTFI-HUUCEWRRSA-N	0	3	312.454	2.795	20	30		DFEDHN
N#Cc1cccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c1	ZINC000344352749	272319086	/nfs/dbraw/zinc/31/90/86/272319086.db2.gz	YUIMHCIBANJGBL-SJORKVTESA-N	0	3	316.351	2.885	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C12CCOCC2	ZINC000185660140	427685961	/nfs/dbraw/zinc/68/59/61/427685961.db2.gz	FFHGQNLPGWPEKR-LSDHHAIUSA-N	0	3	306.431	2.684	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)CCCOC)C(C)C	ZINC000272298098	427699809	/nfs/dbraw/zinc/69/98/09/427699809.db2.gz	GLXYSPAESOYWPY-IRXDYDNUSA-N	0	3	310.482	2.864	20	30		DFEDHN
C=C(C)COc1cc(CNCCn2ccnc2C)ccc1OC	ZINC000299478472	427765559	/nfs/dbraw/zinc/76/55/59/427765559.db2.gz	BANGLENHSOMSOX-UHFFFAOYSA-N	0	3	315.417	2.945	20	30		DFEDHN
N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccnc2)cc1	ZINC000336881016	427770679	/nfs/dbraw/zinc/77/06/79/427770679.db2.gz	RTZPVHRPJAMQIG-HKUYNNGSSA-N	0	3	323.396	2.530	20	30		DFEDHN
N#Cc1cc2c(nc1NCCCNCc1cccnc1)CCCC2	ZINC000336877673	427771174	/nfs/dbraw/zinc/77/11/74/427771174.db2.gz	SSJKVVDHTPOCNT-UHFFFAOYSA-N	0	3	321.428	2.819	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1OC	ZINC000194063427	427729201	/nfs/dbraw/zinc/72/92/01/427729201.db2.gz	ZQYYLDZSTKNTSK-UHFFFAOYSA-N	0	3	316.445	2.788	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NCCN(C)Cc1ccccc1)OCC	ZINC000339209467	427732809	/nfs/dbraw/zinc/73/28/09/427732809.db2.gz	CLDJECKKAILDJT-QGZVFWFLSA-N	0	3	304.434	2.606	20	30		DFEDHN
COc1ccc(F)c(CNCCOc2ccc(C#N)cc2)c1	ZINC000339281706	427749563	/nfs/dbraw/zinc/74/95/63/427749563.db2.gz	ITSIRWIYTKAEJU-UHFFFAOYSA-N	0	3	300.333	2.875	20	30		DFEDHN
C=CCN1CC[C@H](N(CC)[C@@H](C)Cc2ccc(OC)cc2)C1=O	ZINC000337172687	427809267	/nfs/dbraw/zinc/80/92/67/427809267.db2.gz	GSDWTYMRSQMURW-YJBOKZPZSA-N	0	3	316.445	2.735	20	30		DFEDHN
CCCCN1CCCC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301658343	427813416	/nfs/dbraw/zinc/81/34/16/427813416.db2.gz	SPEJMRSMQHTACS-CQSZACIVSA-N	0	3	317.393	2.928	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C2CCCCC2)CC1	ZINC000301724572	427819153	/nfs/dbraw/zinc/81/91/53/427819153.db2.gz	TXMNDHCYUJRZQC-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CN(C)CCOc1cccc(NC(=O)c2ccc(C#N)cc2)c1	ZINC000337253288	427825303	/nfs/dbraw/zinc/82/53/03/427825303.db2.gz	LQOKHUOPUBBHRB-UHFFFAOYSA-N	0	3	309.369	2.751	20	30		DFEDHN
COc1cnccc1N1CCN(CC(C)(C)CCC#N)CC1	ZINC000355648323	427835235	/nfs/dbraw/zinc/83/52/35/427835235.db2.gz	DTQYEZHBCCUYOL-UHFFFAOYSA-N	0	3	302.422	2.542	20	30		DFEDHN
CN(CC1CCN(C)CC1)C(=O)C[C@@H](CC#N)c1ccccc1	ZINC000355660384	427837945	/nfs/dbraw/zinc/83/79/45/427837945.db2.gz	NNJQBNZPRRNKBE-GOSISDBHSA-N	0	3	313.445	2.874	20	30		DFEDHN
COc1ccccc1[C@H](CNc1ccc(C#N)nn1)N1CCCC1	ZINC000301917094	427839857	/nfs/dbraw/zinc/83/98/57/427839857.db2.gz	JFXCVYXBPDQDPD-INIZCTEOSA-N	0	3	323.400	2.606	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NCc2cc3c(c(Br)c2)OCO3)C1	ZINC000349814036	427871903	/nfs/dbraw/zinc/87/19/03/427871903.db2.gz	QXLCOMPTOGMURN-GXSJLCMTSA-N	0	3	323.190	2.960	20	30		DFEDHN
CC(C)OCC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000349850066	427879793	/nfs/dbraw/zinc/87/97/93/427879793.db2.gz	DPCNJCBYLVWZMU-SFHVURJKSA-N	0	3	302.418	2.699	20	30		DFEDHN
CC[C@H]1CCCCN1CCNC(=O)N1CCC(C)(C#N)CC1	ZINC000355773945	427882978	/nfs/dbraw/zinc/88/29/78/427882978.db2.gz	OAUUMTFPMBJCAT-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cn1	ZINC000350618155	427957707	/nfs/dbraw/zinc/95/77/07/427957707.db2.gz	KWFGSRURUCZDIH-UHFFFAOYSA-N	0	3	317.396	2.952	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CC(OC)C1)C(C)C	ZINC000350735218	427969229	/nfs/dbraw/zinc/96/92/29/427969229.db2.gz	DVVJVOCPGDKNBC-JCYILVPMSA-N	0	3	323.481	2.504	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)CNc2cccc(C#N)c2)c1	ZINC000340332971	427988783	/nfs/dbraw/zinc/98/87/83/427988783.db2.gz	OGIQZNJGXGKSIR-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC#Cc1ccccc1	ZINC000341106224	427989725	/nfs/dbraw/zinc/98/97/25/427989725.db2.gz	WDARDOXNWBXSBP-CALCHBBNSA-N	0	3	313.445	2.600	20	30		DFEDHN
CN1CC[C@H](CNC(=O)NCCCCC#N)[C@H]1c1cccs1	ZINC000369538680	427990864	/nfs/dbraw/zinc/99/08/64/427990864.db2.gz	DOXGRRKTYUMTFI-HIFRSBDPSA-N	0	3	320.462	2.734	20	30		DFEDHN
C=CC[C@@H](CO)CNCc1ccccc1OCc1ccccn1	ZINC000341254509	428029741	/nfs/dbraw/zinc/02/97/41/428029741.db2.gz	FOUJQSCCTIYLLL-MRXNPFEDSA-N	0	3	312.413	2.935	20	30		DFEDHN
N#Cc1csc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)c1	ZINC000359819497	428031556	/nfs/dbraw/zinc/03/15/56/428031556.db2.gz	RNJHZOVQBAQOFJ-ZDUSSCGKSA-N	0	3	322.380	2.839	20	30		DFEDHN
CC[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)cc1	ZINC000377076918	428052054	/nfs/dbraw/zinc/05/20/54/428052054.db2.gz	IQEBFVDEQMLPAD-OTWHNJEPSA-N	0	3	313.445	2.852	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N[C@@H]1CCN(CC)C1)c1ccc(F)c(F)c1	ZINC000413463566	428054789	/nfs/dbraw/zinc/05/47/89/428054789.db2.gz	XTFWHMHSMVJKRW-CJNGLKHVSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccccn1	ZINC000341390241	428058505	/nfs/dbraw/zinc/05/85/05/428058505.db2.gz	YNFDYTNJNZVFTO-OAHLLOKOSA-N	0	3	304.438	2.510	20	30		DFEDHN
Cc1cc(N2C[C@@H](N3CCCC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413282938	428012772	/nfs/dbraw/zinc/01/27/72/428012772.db2.gz	RBNYAAWQNQAHLI-HIFRSBDPSA-N	0	3	314.389	2.838	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000369813898	428068416	/nfs/dbraw/zinc/06/84/16/428068416.db2.gz	LGQAYRCHEHZMBN-QGZVFWFLSA-N	0	3	313.445	2.624	20	30		DFEDHN
Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)s1	ZINC000359920424	428076770	/nfs/dbraw/zinc/07/67/70/428076770.db2.gz	ZORVUBKTPCRGGD-SNVBAGLBSA-N	0	3	302.315	2.606	20	30		DFEDHN
N#CC(C(=O)Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1	ZINC000359919757	428077450	/nfs/dbraw/zinc/07/74/50/428077450.db2.gz	VTINKWWUZRORPH-SNVBAGLBSA-N	0	3	318.239	2.514	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000369907486	428085929	/nfs/dbraw/zinc/08/59/29/428085929.db2.gz	YXABWUFDWBAAHC-AEFFLSMTSA-N	0	3	313.445	2.704	20	30		DFEDHN
COCCOc1ccccc1CNCCc1cccc(C#N)c1	ZINC000341492404	428086013	/nfs/dbraw/zinc/08/60/13/428086013.db2.gz	UZVBTBNGBPHPIE-UHFFFAOYSA-N	0	3	310.397	2.916	20	30		DFEDHN
C=CCOc1cccnc1C(=O)NCCN1CCCC[C@@H]1CC	ZINC000341526115	428091180	/nfs/dbraw/zinc/09/11/80/428091180.db2.gz	CCUOGPGHOKGVIX-HNNXBMFYSA-N	0	3	317.433	2.641	20	30		DFEDHN
C=CCOc1ccccc1CN1CC[C@H](N2CCOCC2)[C@@H]1C	ZINC000356258027	428091963	/nfs/dbraw/zinc/09/19/63/428091963.db2.gz	LNODIGITAUCVIA-WMZOPIPTSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@@H](C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)c1cccc(C#N)c1	ZINC000360006794	428111954	/nfs/dbraw/zinc/11/19/54/428111954.db2.gz	NMEHRJZQEMESHP-OWCLPIDISA-N	0	3	313.445	2.898	20	30		DFEDHN
C=CCCC1(C(=O)NC2CCN(CCOC(C)C)CC2)CC1	ZINC000356318378	428123138	/nfs/dbraw/zinc/12/31/38/428123138.db2.gz	JCCVRLFZNULKMO-UHFFFAOYSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nnc(C2CC2)s1)C(C)C	ZINC000351969406	428123259	/nfs/dbraw/zinc/12/32/59/428123259.db2.gz	QWTQMEXGUCHARL-CQSZACIVSA-N	0	3	306.479	3.526	20	30		DFEDHN
C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000370132100	428141383	/nfs/dbraw/zinc/14/13/83/428141383.db2.gz	VGRFTNVYEJEDDK-SJLPKXTDSA-N	0	3	313.445	2.610	20	30		DFEDHN
CCN1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1	ZINC000413846399	428151885	/nfs/dbraw/zinc/15/18/85/428151885.db2.gz	TZXPPXLETRAIML-KRWDZBQOSA-N	0	3	314.433	2.572	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)NCCc2cccc(C#N)c2)cc1	ZINC000341720072	428168533	/nfs/dbraw/zinc/16/85/33/428168533.db2.gz	XXVOFYFJBIRWBG-UHFFFAOYSA-N	0	3	307.397	2.592	20	30		DFEDHN
N#Cc1ccc(CN[C@H](CO)CC(F)F)c(C(F)(F)F)c1	ZINC000356425151	428172393	/nfs/dbraw/zinc/17/23/93/428172393.db2.gz	MWEYKJRWXVRDAV-JTQLQIEISA-N	0	3	308.250	2.683	20	30		DFEDHN
COC(=O)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000356422841	428173416	/nfs/dbraw/zinc/17/34/16/428173416.db2.gz	KMQZUUGULNNFJA-UHFFFAOYSA-N	0	3	312.291	2.620	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000277411950	273477488	/nfs/dbraw/zinc/47/74/88/273477488.db2.gz	LSQOTZIAIZUPDS-IBGZPJMESA-N	0	3	308.425	2.603	20	30		DFEDHN
CS[C@@H](CO)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352829433	428269158	/nfs/dbraw/zinc/26/91/58/428269158.db2.gz	BEICTJWMXWCFFE-RNCFNFMXSA-N	0	3	318.364	2.779	20	30		DFEDHN
C[C@@H](CC[S@@](C)=O)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000352843508	428276029	/nfs/dbraw/zinc/27/60/29/428276029.db2.gz	XLPDALZZEFHDJK-CHNSCGDPSA-N	0	3	318.364	2.824	20	30		DFEDHN
C=CCOCCCN[C@H](C)c1ccc(S(=O)(=O)CC)cc1	ZINC000341957860	428260146	/nfs/dbraw/zinc/26/01/46/428260146.db2.gz	URPCUPRMLSVUQC-CQSZACIVSA-N	0	3	311.447	2.724	20	30		DFEDHN
C=CCCCS(=O)(=O)Nc1ccc(CN(C)C)cc1F	ZINC000414471268	428306733	/nfs/dbraw/zinc/30/67/33/428306733.db2.gz	LBJDRIIOPOUMAF-UHFFFAOYSA-N	0	3	300.399	2.595	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CC1	ZINC000346790179	428316675	/nfs/dbraw/zinc/31/66/75/428316675.db2.gz	XNXRPKVOEFCRGR-IRXDYDNUSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000342168713	428332247	/nfs/dbraw/zinc/33/22/47/428332247.db2.gz	QHUICJTTZPOCMM-CJNGLKHVSA-N	0	3	319.474	2.928	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC(=O)c1cccs1	ZINC000346831452	428337921	/nfs/dbraw/zinc/33/79/21/428337921.db2.gz	YSWBKWMZKURZEC-CQSZACIVSA-N	0	3	312.394	2.820	20	30		DFEDHN
CN(CC(=O)NC1(C#N)CCC1)CC12CC3CC(CC(C3)C1)C2	ZINC000346872062	428353173	/nfs/dbraw/zinc/35/31/73/428353173.db2.gz	QMYFAHGZFQQEOK-UHFFFAOYSA-N	0	3	315.461	2.697	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](NC3CCSCC3)C2=O)cc1	ZINC000356776460	428300555	/nfs/dbraw/zinc/30/05/55/428300555.db2.gz	FXJQROBLBIGGEE-INIZCTEOSA-N	0	3	315.442	2.539	20	30		DFEDHN
CC(C)[C@](C)(CO)NCc1cc(C#N)ccc1Br	ZINC000352895460	428301276	/nfs/dbraw/zinc/30/12/76/428301276.db2.gz	VVEXIDBCWHEIJU-AWEZNQCLSA-N	0	3	311.223	2.817	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)C[C@@H]2CCCN2CC)c1C	ZINC000357102120	428388461	/nfs/dbraw/zinc/38/84/61/428388461.db2.gz	QNMBRPKKABNGNA-KRWDZBQOSA-N	0	3	317.477	2.890	20	30		DFEDHN
COc1cccc(C(=O)NC2CCN(CCCCC#N)CC2)c1	ZINC000371516243	428393907	/nfs/dbraw/zinc/39/39/07/428393907.db2.gz	DSHYCHQYVZQLFU-UHFFFAOYSA-N	0	3	315.417	2.583	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)[C@H]1CCOC1	ZINC000371550837	428395744	/nfs/dbraw/zinc/39/57/44/428395744.db2.gz	DERRTVSJOOGWPD-PKOBYXMFSA-N	0	3	314.429	2.554	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H]2CCCOC2)CC1	ZINC000371636331	428397262	/nfs/dbraw/zinc/39/72/62/428397262.db2.gz	BZDIEFYKBJOOMF-AEFFLSMTSA-N	0	3	322.493	2.938	20	30		DFEDHN
N#Cc1ncn(CCNCc2ccc(-c3ccccc3)s2)n1	ZINC000353040631	428367217	/nfs/dbraw/zinc/36/72/17/428367217.db2.gz	VDFTVTAZTISOBG-UHFFFAOYSA-N	0	3	309.398	2.668	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](c2cc(C)[nH]n2)C1	ZINC000378365531	428378063	/nfs/dbraw/zinc/37/80/63/428378063.db2.gz	VQBHETDHTDZEDH-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC[C@@H](c2cc(C)n[nH]2)C1	ZINC000378365531	428378071	/nfs/dbraw/zinc/37/80/71/428378071.db2.gz	VQBHETDHTDZEDH-OAHLLOKOSA-N	0	3	310.401	2.978	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)cc(OC)c1O	ZINC000371220284	428378643	/nfs/dbraw/zinc/37/86/43/428378643.db2.gz	PWWODSGRGVWAPF-CRAIPNDOSA-N	0	3	303.402	2.786	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Br)cc1Cl	ZINC000347030993	428413659	/nfs/dbraw/zinc/41/36/59/428413659.db2.gz	DCEQIXYBWHLFMI-SSDOTTSWSA-N	0	3	301.571	2.878	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@@]2(C1)CCCOC2	ZINC000357086157	428382610	/nfs/dbraw/zinc/38/26/10/428382610.db2.gz	DBPLUPOOENMQLG-IEBWSBKVSA-N	0	3	312.413	2.788	20	30		DFEDHN
CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(C)n1	ZINC000353096885	428383609	/nfs/dbraw/zinc/38/36/09/428383609.db2.gz	KRBDZPCJHWKJAL-GFCCVEGCSA-N	0	3	321.384	2.920	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCc2ncnn2C1	ZINC000360648795	428383679	/nfs/dbraw/zinc/38/36/79/428383679.db2.gz	SOIKHXDDMQNINB-RDJZCZTQSA-N	0	3	307.401	2.522	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000342287689	428384798	/nfs/dbraw/zinc/38/47/98/428384798.db2.gz	GZZWPTXCGLKNHX-CYBMUJFWSA-N	0	3	304.438	2.999	20	30		DFEDHN
C#CCOc1ccc(CN2CCC[C@@H](n3nc(C)nc3C)C2)cc1	ZINC000371378415	428385294	/nfs/dbraw/zinc/38/52/94/428385294.db2.gz	IPDIMADMNKZCKE-GOSISDBHSA-N	0	3	324.428	2.744	20	30		DFEDHN
C#CC[C@@H](NC(=O)N1CCCN(C2CC2)CC1)c1ccccc1	ZINC000371369763	428387023	/nfs/dbraw/zinc/38/70/23/428387023.db2.gz	KVWCXCMFGKSTNT-GOSISDBHSA-N	0	3	311.429	2.631	20	30		DFEDHN
CN(c1cccnn1)C1CCN(Cc2ccc(CC#N)cc2)CC1	ZINC000342712663	428441657	/nfs/dbraw/zinc/44/16/57/428441657.db2.gz	ADAJDFDWDPQEMQ-UHFFFAOYSA-N	0	3	321.428	2.643	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@@H](CCOC)C1	ZINC000342702357	428441765	/nfs/dbraw/zinc/44/17/65/428441765.db2.gz	ONTUEPUDWZAIFG-SJORKVTESA-N	0	3	310.482	2.938	20	30		DFEDHN
Cn1cc(CN(Cc2ccccc2)CC2(CO)CC2)cc1C#N	ZINC000342846893	428470978	/nfs/dbraw/zinc/47/09/78/428470978.db2.gz	HAKBLHNQNMRHJL-UHFFFAOYSA-N	0	3	309.413	2.671	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(CC)C1	ZINC000353270897	428460163	/nfs/dbraw/zinc/46/01/63/428460163.db2.gz	FOOHJCQDQIMYGX-HNNXBMFYSA-N	0	3	305.422	2.504	20	30		DFEDHN
Cc1cc(NC(=O)[C@@H](C)C#N)ccc1OCCN1CCCC1	ZINC000347132899	428460614	/nfs/dbraw/zinc/46/06/14/428460614.db2.gz	ZYMXMNNGCASCKI-AWEZNQCLSA-N	0	3	301.390	2.568	20	30		DFEDHN
CCC(C#N)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000389954610	428468014	/nfs/dbraw/zinc/46/80/14/428468014.db2.gz	TXVBOECBIBSBEC-DOTOQJQBSA-N	0	3	313.445	2.953	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@@H](Cc2ccccc2)C1	ZINC000353287687	428468470	/nfs/dbraw/zinc/46/84/70/428468470.db2.gz	BTIFXBJSVHIYEW-SFHVURJKSA-N	0	3	313.445	2.703	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1CCC[C@H](Cc2ccccc2)C1	ZINC000353287685	428468903	/nfs/dbraw/zinc/46/89/03/428468903.db2.gz	BTIFXBJSVHIYEW-GOSISDBHSA-N	0	3	313.445	2.703	20	30		DFEDHN
CC(C)N1CCN(c2cccc(NC(=O)CCCC#N)c2)CC1	ZINC000360728227	428418167	/nfs/dbraw/zinc/41/81/67/428418167.db2.gz	JQYTTZKCQMWRMC-UHFFFAOYSA-N	0	3	314.433	2.849	20	30		DFEDHN
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)o1	ZINC000342844137	428469820	/nfs/dbraw/zinc/46/98/20/428469820.db2.gz	SDOSDLNMVFIMRR-DYVFJYSZSA-N	0	3	312.369	2.661	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1	ZINC000342436486	428426467	/nfs/dbraw/zinc/42/64/67/428426467.db2.gz	MNPNBPGYVOTHSJ-UFBFGSQYSA-N	0	3	301.173	2.693	20	30		DFEDHN
C=CCN(CCn1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372318663	428427788	/nfs/dbraw/zinc/42/77/88/428427788.db2.gz	NEHFMYBXLUSBDG-LJQANCHMSA-N	0	3	310.445	2.646	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C	ZINC000414991294	428483321	/nfs/dbraw/zinc/48/33/21/428483321.db2.gz	AYFDBNLLQZWJNB-OLZOCXBDSA-N	0	3	316.405	2.560	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCCO1)C(C)C	ZINC000342900099	428485161	/nfs/dbraw/zinc/48/51/61/428485161.db2.gz	YWJFHTVSSCHSAC-IAGOWNOFSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCC(CC=C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000372744888	428499514	/nfs/dbraw/zinc/49/95/14/428499514.db2.gz	VNHBLEDRSCIDAY-RYQLBKOJSA-N	0	3	320.477	2.760	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000342995678	428501222	/nfs/dbraw/zinc/50/12/22/428501222.db2.gz	CXJIBAHQWXWLKV-GMXABZIVSA-N	0	3	323.799	2.748	20	30		DFEDHN
Cc1nc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ccc1C#N	ZINC000398005149	428513659	/nfs/dbraw/zinc/51/36/59/428513659.db2.gz	YQCLCGHKXPYLQW-KBXCAEBGSA-N	0	3	306.413	3.337	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)CC1CCCCC1	ZINC000347260720	428517513	/nfs/dbraw/zinc/51/75/13/428517513.db2.gz	ZFPJDRNDWMDJHO-INIZCTEOSA-N	0	3	310.482	2.938	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CCCCO2)C1	ZINC000373182722	428521069	/nfs/dbraw/zinc/52/10/69/428521069.db2.gz	LGRSUZVZLZIHQM-FUHWJXTLSA-N	0	3	308.466	2.835	20	30		DFEDHN
CC(C#N)C(=O)NCCc1ccc(Br)cc1Cl	ZINC000360986648	428527311	/nfs/dbraw/zinc/52/73/11/428527311.db2.gz	VJLSEHCZWHPRLE-MRVPVSSYSA-N	0	3	315.598	2.921	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nccnc1C(F)F)C(C)C	ZINC000360879959	428473542	/nfs/dbraw/zinc/47/35/42/428473542.db2.gz	OKGVEIQXLWVWTC-CYBMUJFWSA-N	0	3	310.392	3.525	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000391055545	428478772	/nfs/dbraw/zinc/47/87/72/428478772.db2.gz	JCFBCJAUPRYZDZ-OTWHNJEPSA-N	0	3	313.445	2.559	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000391055537	428478875	/nfs/dbraw/zinc/47/88/75/428478875.db2.gz	JCFBCJAUPRYZDZ-FHWLQOOXSA-N	0	3	313.445	2.559	20	30		DFEDHN
CCOC(=O)CC(C)(C)N(C)Cc1cc(C#N)ccc1OC	ZINC000343886334	428593336	/nfs/dbraw/zinc/59/33/36/428593336.db2.gz	ZNSAVSWCMOBANG-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@H](C)[C@H]2C)cc(OC)c1O	ZINC000361152872	428539580	/nfs/dbraw/zinc/53/95/80/428539580.db2.gz	IDGYDKJZLRWUSC-ZIAGYGMSSA-N	0	3	304.434	2.654	20	30		DFEDHN
C=CCc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)cc(OC)c1O	ZINC000361152868	428539760	/nfs/dbraw/zinc/53/97/60/428539760.db2.gz	IDGYDKJZLRWUSC-KGLIPLIRSA-N	0	3	304.434	2.654	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCOc2ccc(F)cc2)CC1	ZINC000357577693	428548611	/nfs/dbraw/zinc/54/86/11/428548611.db2.gz	BZQVOHABHOITMA-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
CCOc1cc(CN(C)C(=O)C(C)C#N)ccc1OC(F)F	ZINC000357818242	428564097	/nfs/dbraw/zinc/56/40/97/428564097.db2.gz	CMTRWVVTOLOWPB-JTQLQIEISA-N	0	3	312.316	2.805	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1	ZINC000361472626	428570341	/nfs/dbraw/zinc/57/03/41/428570341.db2.gz	ZSFFQCMXJDQOIF-GDBMZVCRSA-N	0	3	319.474	2.844	20	30		DFEDHN
C=C(CC)CN1CCN(CCN(C)Cc2ccccc2)CC1	ZINC000358494408	428604388	/nfs/dbraw/zinc/60/43/88/428604388.db2.gz	FQROMSPSYUHSMM-UHFFFAOYSA-N	0	3	301.478	2.702	20	30		DFEDHN
C[C@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cccc(C#N)c1	ZINC000362033804	428611096	/nfs/dbraw/zinc/61/10/96/428611096.db2.gz	VPRDLKFMMRVUAQ-KBXCAEBGSA-N	0	3	320.396	2.519	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NC[C@H]2NCCc3ccccc32)c1	ZINC000415808567	428614349	/nfs/dbraw/zinc/61/43/49/428614349.db2.gz	RTPIQEFEDNGKNO-GOSISDBHSA-N	0	3	320.396	2.875	20	30		DFEDHN
C[C@H]1C[C@H](C(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000347587082	428615171	/nfs/dbraw/zinc/61/51/71/428615171.db2.gz	VVCZPDSOENXJMB-JKSUJKDBSA-N	0	3	318.465	2.789	20	30		DFEDHN
CC[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1cccs1	ZINC000347652097	428619764	/nfs/dbraw/zinc/61/97/64/428619764.db2.gz	PTERDXHWUUHCMO-OAHLLOKOSA-N	0	3	313.426	2.977	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1C[C@@H](OCC)C12CCCC2	ZINC000347697062	428622408	/nfs/dbraw/zinc/62/24/08/428622408.db2.gz	XSWVABRALKYUMM-HZPDHXFCSA-N	0	3	306.450	2.514	20	30		DFEDHN
COc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347970888	428632441	/nfs/dbraw/zinc/63/24/41/428632441.db2.gz	XRMWPOAAORWYFG-QGZVFWFLSA-N	0	3	319.364	2.566	20	30		DFEDHN
Cc1ccccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000347993880	428633240	/nfs/dbraw/zinc/63/32/40/428633240.db2.gz	QZENOZSRXTWEHT-GOSISDBHSA-N	0	3	303.365	2.865	20	30		DFEDHN
CC(C#N)C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1	ZINC000347980834	428633395	/nfs/dbraw/zinc/63/33/95/428633395.db2.gz	AWGAQRCYXDXNPB-JTQLQIEISA-N	0	3	300.280	2.702	20	30		DFEDHN
C[C@H](CC#N)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1	ZINC000415953462	428636078	/nfs/dbraw/zinc/63/60/78/428636078.db2.gz	MMVXALPGPKOXGD-MRVPVSSYSA-N	0	3	300.284	2.588	20	30		DFEDHN
COc1ccc2c(c1)[C@](O)(CNCc1ccc(C#N)cc1)CCC2	ZINC000378337655	274139394	/nfs/dbraw/zinc/13/93/94/274139394.db2.gz	WQFAKDVUWYVCER-HXUWFJFHSA-N	0	3	322.408	2.881	20	30		DFEDHN
COc1cccc2c1CCN(C[C@H](O)c1ccc(C#N)cc1)CC2	ZINC000193711600	274151631	/nfs/dbraw/zinc/15/16/31/274151631.db2.gz	DPJSPNVTSOIIDL-IBGZPJMESA-N	0	3	322.408	2.701	20	30		DFEDHN
C[S@](=O)C1(CNC2CC(C#N)(c3ccccc3)C2)CCC1	ZINC000373899912	428654673	/nfs/dbraw/zinc/65/46/73/428654673.db2.gz	MNNKHPFRINWMOA-BUNACBEFSA-N	0	3	302.443	2.501	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](CCO)C2)ccc1OC	ZINC000353678084	428655050	/nfs/dbraw/zinc/65/50/50/428655050.db2.gz	ZTFLTEZBFLQKIA-HNNXBMFYSA-N	0	3	305.418	2.854	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000373991174	428660326	/nfs/dbraw/zinc/66/03/26/428660326.db2.gz	STNKPIJLONMPRL-APWZRJJASA-N	0	3	313.445	2.610	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000374163303	428669007	/nfs/dbraw/zinc/66/90/07/428669007.db2.gz	ONKJXNARNSALRZ-XMTFNYHQSA-N	0	3	322.493	2.673	20	30		DFEDHN
CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C#N)C[C@@H]1C	ZINC000410725123	428706650	/nfs/dbraw/zinc/70/66/50/428706650.db2.gz	YFNHVGKBVMOHDP-VDZJLULYSA-N	0	3	313.445	2.809	20	30		DFEDHN
C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416344124	428721085	/nfs/dbraw/zinc/72/10/85/428721085.db2.gz	UZVJKUBPVNSARS-HBUWYVDXSA-N	0	3	311.429	2.925	20	30		DFEDHN
COc1ccc2c(c1)OC[C@H](NCc1cc(C#N)cs1)C2	ZINC000348388676	428727824	/nfs/dbraw/zinc/72/78/24/428727824.db2.gz	FKKKWGDWYUHVPN-CYBMUJFWSA-N	0	3	300.383	2.722	20	30		DFEDHN
CCC[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C	ZINC000362391086	428728803	/nfs/dbraw/zinc/72/88/03/428728803.db2.gz	YQFHZIPZMLJVLB-GOSISDBHSA-N	0	3	311.429	2.904	20	30		DFEDHN
C=CCSc1ccccc1C(=O)N1CCN2CCC[C@H]2C1	ZINC000362398332	428731028	/nfs/dbraw/zinc/73/10/28/428731028.db2.gz	WAGSBGJOWQLGSA-AWEZNQCLSA-N	0	3	302.443	2.885	20	30		DFEDHN
C=CCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000348401659	428732757	/nfs/dbraw/zinc/73/27/57/428732757.db2.gz	GIJKBVWHKDCYAV-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
COc1ccc(CN2CC[C@H](CCO)C2)cc1OCCCC#N	ZINC000353718632	428676806	/nfs/dbraw/zinc/67/68/06/428676806.db2.gz	NOJHUWOYMGNIMP-OAHLLOKOSA-N	0	3	318.417	2.582	20	30		DFEDHN
C=CCN1CCC(NC(=O)C2(C(F)(F)F)CCCC2)CC1	ZINC000416152769	428677968	/nfs/dbraw/zinc/67/79/68/428677968.db2.gz	YXHHPLIDYBXFEG-UHFFFAOYSA-N	0	3	304.356	2.876	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(Cc3cccnc3)CC2)cc1	ZINC000374478272	428682795	/nfs/dbraw/zinc/68/27/95/428682795.db2.gz	BRJYUMPMYGVTQH-FQEVSTJZSA-N	0	3	321.424	2.941	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C	ZINC000358803421	428683259	/nfs/dbraw/zinc/68/32/59/428683259.db2.gz	GJXAIYCELXOFEF-GJZGRUSLSA-N	0	3	305.470	2.897	20	30		DFEDHN
CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cscc2C#N)C1	ZINC000410463074	428690226	/nfs/dbraw/zinc/69/02/26/428690226.db2.gz	BDDHZEZUZCHQLW-CQSZACIVSA-N	0	3	311.410	2.753	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000348530696	428771400	/nfs/dbraw/zinc/77/14/00/428771400.db2.gz	AYRFYJZXRMNCKV-PBHICJAKSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C	ZINC000348529524	428772535	/nfs/dbraw/zinc/77/25/35/428772535.db2.gz	FQQCIOQOOFQQAK-QMTMVMCOSA-N	0	3	316.445	2.954	20	30		DFEDHN
Cc1ccc(NC(=O)C2CCN([C@@H](C)CCC#N)CC2)nc1	ZINC000411338004	428780481	/nfs/dbraw/zinc/78/04/81/428780481.db2.gz	JCTZVCCHACTWQJ-AWEZNQCLSA-N	0	3	300.406	2.733	20	30		DFEDHN
CCCN(CCN1CCCC1)Cc1cnc2ccc(C#N)cn12	ZINC000348550368	428786452	/nfs/dbraw/zinc/78/64/52/428786452.db2.gz	ILTSMPHQRJJKHT-UHFFFAOYSA-N	0	3	311.433	2.514	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(CC)C[C@H]2C)cc1OC	ZINC000348556879	428790204	/nfs/dbraw/zinc/79/02/04/428790204.db2.gz	QFIDVBBLPZOOTC-OAHLLOKOSA-N	0	3	304.434	2.786	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1cscc1C#N	ZINC000411116410	428739870	/nfs/dbraw/zinc/73/98/70/428739870.db2.gz	VKQARYWXZKAZKV-UHFFFAOYSA-N	0	3	319.455	2.885	20	30		DFEDHN
C[C@H](CCC#N)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1	ZINC000411730090	428849525	/nfs/dbraw/zinc/84/95/25/428849525.db2.gz	HFRVLWWNRITULL-HZPDHXFCSA-N	0	3	314.433	2.827	20	30		DFEDHN
CC[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1	ZINC000353970551	428797979	/nfs/dbraw/zinc/79/79/79/428797979.db2.gz	FIIIBOIOGFFXMM-SWLSCSKDSA-N	0	3	306.431	2.565	20	30		DFEDHN
C=CCOc1ccc(CNCc2cc(C(=O)OC)n(C)c2)cc1	ZINC000348676778	428811323	/nfs/dbraw/zinc/81/13/23/428811323.db2.gz	SXDLHKATOVLQGV-UHFFFAOYSA-N	0	3	314.385	2.666	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CCN(C2CC2)C1	ZINC000359098021	428813906	/nfs/dbraw/zinc/81/39/06/428813906.db2.gz	BVWARZULXIQXOD-HNNXBMFYSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNc1nc(C)nc2[nH]ccc21)C(C)C	ZINC000348722406	428820980	/nfs/dbraw/zinc/82/09/80/428820980.db2.gz	UXDDRFQUTNGYQT-MRXNPFEDSA-N	0	3	313.449	3.377	20	30		DFEDHN
C=C(CC)CN1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1	ZINC000362970214	428829909	/nfs/dbraw/zinc/82/99/09/428829909.db2.gz	SGNZCQHZDUJLIJ-INIZCTEOSA-N	0	3	318.465	2.691	20	30		DFEDHN
CCCN1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000375264265	428837185	/nfs/dbraw/zinc/83/71/85/428837185.db2.gz	YEVAAOLWBVSXIQ-UHFFFAOYSA-N	0	3	311.429	2.534	20	30		DFEDHN
C=CCOc1cccc(CN(CCN(C)C)C[C@@H]2CCCO2)c1	ZINC000349041644	428906474	/nfs/dbraw/zinc/90/64/74/428906474.db2.gz	VUOVETHQPAUUMG-IBGZPJMESA-N	0	3	318.461	2.794	20	30		DFEDHN
Cn1cc(C[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)cn1	ZINC000363363687	428908572	/nfs/dbraw/zinc/90/85/72/428908572.db2.gz	CEZFSGYXMTUUEZ-MRXNPFEDSA-N	0	3	313.832	2.990	20	30		DFEDHN
CC(C#N)C(=O)NCCCCc1nc(-c2cccnc2)cs1	ZINC000359184395	428855715	/nfs/dbraw/zinc/85/57/15/428855715.db2.gz	JHZZMCLRBAEWIM-LBPRGKRZSA-N	0	3	314.414	2.804	20	30		DFEDHN
C[C@@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C#N)cc1F	ZINC000417383504	428863845	/nfs/dbraw/zinc/86/38/45/428863845.db2.gz	OVGWCCPBXXIUFX-CYBMUJFWSA-N	0	3	320.408	2.916	20	30		DFEDHN
Cc1noc(C)c1CN(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000348908486	428875309	/nfs/dbraw/zinc/87/53/09/428875309.db2.gz	ZZRFICBAGROPOW-UHFFFAOYSA-N	0	3	312.417	2.727	20	30		DFEDHN
CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl	ZINC000375617834	428926502	/nfs/dbraw/zinc/92/65/02/428926502.db2.gz	KNKWOMDOSKZYTG-CVEARBPZSA-N	0	3	317.820	2.910	20	30		DFEDHN
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[C@H]1C(C)(C)C	ZINC000419322493	428930820	/nfs/dbraw/zinc/93/08/20/428930820.db2.gz	HMGDYPZTRBAVHP-RVKKMQEKSA-N	0	3	305.466	2.941	20	30		DFEDHN
CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@H]1C(C)(C)C	ZINC000419331403	428931651	/nfs/dbraw/zinc/93/16/51/428931651.db2.gz	ROXYTUJFYNNKCQ-CVEARBPZSA-N	0	3	318.465	2.789	20	30		DFEDHN
Clc1cccc(C#CCN2CCC[C@@H](c3nc[nH]n3)C2)c1	ZINC000363512532	428933081	/nfs/dbraw/zinc/93/30/81/428933081.db2.gz	VQTKWFLDUIAWJB-CQSZACIVSA-N	0	3	300.793	2.689	20	30		DFEDHN
CC(C)N(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC(=O)N1	ZINC000412066712	428937578	/nfs/dbraw/zinc/93/75/78/428937578.db2.gz	DTSAMOUOKBXWLT-INIZCTEOSA-N	0	3	313.445	2.977	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCOCC2)[C@H]1C	ZINC000349232383	428944263	/nfs/dbraw/zinc/94/42/63/428944263.db2.gz	BSXPQIUQEHKCKA-HZPDHXFCSA-N	0	3	308.466	2.691	20	30		DFEDHN
C#CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000363580855	428947983	/nfs/dbraw/zinc/94/79/83/428947983.db2.gz	SFFAXFKSGUYUFM-HOCLYGCPSA-N	0	3	319.836	2.655	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)c2cncc(C#N)n2)CCN1Cc1ccccc1	ZINC000420605183	428957761	/nfs/dbraw/zinc/95/77/61/428957761.db2.gz	UKKRZLQTUJRTFG-CRAIPNDOSA-N	0	3	321.428	2.838	20	30		DFEDHN
C[C@H](CNC(=O)NCc1ccc(C#N)s1)N1CCC[C@H](C)C1	ZINC000420794346	428963304	/nfs/dbraw/zinc/96/33/04/428963304.db2.gz	RNMVQMPXTDSGJX-QWHCGFSZSA-N	0	3	320.462	2.539	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2ccncc2C#N)CCN1Cc1ccccc1	ZINC000363689405	428970313	/nfs/dbraw/zinc/97/03/13/428970313.db2.gz	BRDPDNJPHYAZSA-QAPCUYQASA-N	0	3	306.413	2.840	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCCN1C	ZINC000420862559	428970810	/nfs/dbraw/zinc/97/08/10/428970810.db2.gz	QOZOYQYCRAGYKT-ZWKOTPCHSA-N	0	3	315.461	2.909	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN(C2CC2)C1	ZINC000412363464	429023727	/nfs/dbraw/zinc/02/37/27/429023727.db2.gz	IGCRBLHXWKXUTD-ZOCIIQOWSA-N	0	3	323.440	2.604	20	30		DFEDHN
Cn1cnc2cc(C(=O)C(C#N)c3nc4ccccc4[nH]3)ccc21	ZINC000355155970	429029275	/nfs/dbraw/zinc/02/92/75/429029275.db2.gz	YJCBOTJBZAPHHS-GFCCVEGCSA-N	0	3	315.336	2.940	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@@H](C3CCCC3)C2)CC1	ZINC000420925543	428973296	/nfs/dbraw/zinc/97/32/96/428973296.db2.gz	YULCMWZILLCWOY-MRXNPFEDSA-N	0	3	305.466	2.859	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000421047570	428979075	/nfs/dbraw/zinc/97/90/75/428979075.db2.gz	ZHAKCYQSUOPPRX-ZDUSSCGKSA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1O	ZINC000349406127	428982205	/nfs/dbraw/zinc/98/22/05/428982205.db2.gz	KGQIMHWNCVWYBV-QAPCUYQASA-N	0	3	324.428	2.666	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000354433212	428985538	/nfs/dbraw/zinc/98/55/38/428985538.db2.gz	NVFGIZOACATFDN-BEFAXECRSA-N	0	3	316.445	2.655	20	30		DFEDHN
Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3ccncn3)cc2)n1	ZINC000354463557	428987988	/nfs/dbraw/zinc/98/79/88/428987988.db2.gz	IGAHLEGLYDFNBY-INIZCTEOSA-N	0	3	317.352	2.769	20	30		DFEDHN
N#CC(C(=O)c1ccc(Br)c(F)c1)c1ccncn1	ZINC000354457466	428989112	/nfs/dbraw/zinc/98/91/12/428989112.db2.gz	BBWRJUPDWXIYCX-VIFPVBQESA-N	0	3	320.121	2.868	20	30		DFEDHN
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1	ZINC000354471801	428992004	/nfs/dbraw/zinc/99/20/04/428992004.db2.gz	UFPMMALJJWLKQH-DFBGVHRSSA-N	0	3	320.352	2.561	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1-c1nccs1	ZINC000354472646	428992133	/nfs/dbraw/zinc/99/21/33/428992133.db2.gz	PDSOPQNEQXYEAR-CYBMUJFWSA-N	0	3	323.381	2.831	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1C[C@@H](OC)C12CCC2	ZINC000451856711	429000163	/nfs/dbraw/zinc/00/01/63/429000163.db2.gz	TYPKXPSTVZMUGM-IAGOWNOFSA-N	0	3	300.402	2.956	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC)CC(F)(F)F)CC1	ZINC000354644976	429002321	/nfs/dbraw/zinc/00/23/21/429002321.db2.gz	CHVISSVFDCTBGY-LLVKDONJSA-N	0	3	307.360	2.667	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1	ZINC000424085911	429089996	/nfs/dbraw/zinc/08/99/96/429089996.db2.gz	CXNBDRGQYHMOBB-CZUORRHYSA-N	0	3	303.406	2.672	20	30		DFEDHN
CCCC(=O)Nc1cccc(NC(=O)[C@H](N)CCCC#N)c1C	ZINC000424103124	429091391	/nfs/dbraw/zinc/09/13/91/429091391.db2.gz	MMWGCOZGHWAHAZ-CYBMUJFWSA-N	0	3	316.405	2.693	20	30		DFEDHN
C[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN(C2CCC2)C1	ZINC000452319391	429094014	/nfs/dbraw/zinc/09/40/14/429094014.db2.gz	DQJPTULXKLKKQU-KXBFYZLASA-N	0	3	315.461	2.793	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000424123517	429094307	/nfs/dbraw/zinc/09/43/07/429094307.db2.gz	LAIMPXRBSXUNDN-AWEZNQCLSA-N	0	3	305.809	2.509	20	30		DFEDHN
C[C@@H]1SCCN(C(=O)[C@H](N)CCCC#N)[C@H]1c1ccccc1	ZINC000424117600	429094486	/nfs/dbraw/zinc/09/44/86/429094486.db2.gz	CQJUMRJNRCHGOB-NUEKZKHPSA-N	0	3	317.458	2.713	20	30		DFEDHN
CCC[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N	ZINC000424123515	429095134	/nfs/dbraw/zinc/09/51/34/429095134.db2.gz	KZTITEMYDLMCLA-SJORKVTESA-N	0	3	301.434	2.925	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000424137138	429096047	/nfs/dbraw/zinc/09/60/47/429096047.db2.gz	OMLIETFEGZCONN-KRWDZBQOSA-N	0	3	308.385	2.632	20	30		DFEDHN
N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)nc2ccccc12	ZINC000433815478	429053595	/nfs/dbraw/zinc/05/35/95/429053595.db2.gz	MYLNJAPNXZVVPA-INIZCTEOSA-N	0	3	306.413	3.535	20	30		DFEDHN
COc1cc(CN[C@@H](C)c2ccc(CN)nc2C)ccc1C#N	ZINC000423119024	429054085	/nfs/dbraw/zinc/05/40/85/429054085.db2.gz	BETLUAHXHCZDJT-LBPRGKRZSA-N	0	3	310.401	2.580	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C	ZINC000433839049	429055347	/nfs/dbraw/zinc/05/53/47/429055347.db2.gz	NZEOHMFCPFQAAR-TZMCWYRMSA-N	0	3	317.437	2.719	20	30		DFEDHN
CN1CCC2(CCCN2C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000376102798	429057513	/nfs/dbraw/zinc/05/75/13/429057513.db2.gz	JWMZSODRJCKHTR-UHFFFAOYSA-N	0	3	317.820	2.912	20	30		DFEDHN
CC1(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c2ccc(F)cc2O1	ZINC000424133421	429096957	/nfs/dbraw/zinc/09/69/57/429096957.db2.gz	ZIVCXPDGMBQMEP-ZIAGYGMSSA-N	0	3	319.380	2.565	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)Nc1ccc(CN(C)C)cc1F	ZINC000412557779	429060265	/nfs/dbraw/zinc/06/02/65/429060265.db2.gz	JLKFTZNOVKOECW-UHFFFAOYSA-N	0	3	301.321	2.913	20	30		DFEDHN
C[C@H](NC[C@@H]1CCCN1c1cccnn1)c1cccc(C#N)c1	ZINC000376179300	429072545	/nfs/dbraw/zinc/07/25/45/429072545.db2.gz	ZKIOUWIKWKTUKY-YOEHRIQHSA-N	0	3	307.401	2.668	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(CCc2ccccc2)CC1	ZINC000424059265	429084732	/nfs/dbraw/zinc/08/47/32/429084732.db2.gz	ATMRXIRERSYWLO-SFHVURJKSA-N	0	3	313.445	2.879	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1	ZINC000424064468	429086037	/nfs/dbraw/zinc/08/60/37/429086037.db2.gz	KIVXERNLPNDBHE-HNNXBMFYSA-N	0	3	323.400	2.709	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000424074061	429086898	/nfs/dbraw/zinc/08/68/98/429086898.db2.gz	GNTJTENAGIGHRI-NSHDSACASA-N	0	3	301.268	2.545	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000424073725	429087763	/nfs/dbraw/zinc/08/77/63/429087763.db2.gz	FZVUHOPTSOBQAW-SQNIBIBYSA-N	0	3	316.445	2.907	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1	ZINC000424084112	429088729	/nfs/dbraw/zinc/08/87/29/429088729.db2.gz	DLLCTVFDCMURKE-GFCCVEGCSA-N	0	3	315.295	2.587	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H](C)C1(OC)CCOCC1	ZINC000453104807	429145632	/nfs/dbraw/zinc/14/56/32/429145632.db2.gz	DUZBVBAUYMOPOJ-OAHLLOKOSA-N	0	3	305.418	2.925	20	30		DFEDHN
C=CC(C)(C)CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000453303796	429147562	/nfs/dbraw/zinc/14/75/62/429147562.db2.gz	DEORLELPIKMWQA-ZDUSSCGKSA-N	0	3	310.463	2.800	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453422711	429149956	/nfs/dbraw/zinc/14/99/56/429149956.db2.gz	ARXJZVMTYXFFAU-HNNXBMFYSA-N	0	3	305.470	2.726	20	30		DFEDHN
C=CCn1c(CC(C)C)nnc1N1CCCN(C(C)C)CC1	ZINC000453452328	429150791	/nfs/dbraw/zinc/15/07/91/429150791.db2.gz	SXWJNZQKOWMUNQ-UHFFFAOYSA-N	0	3	305.470	2.583	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnc(OC(F)F)c2)nc(C)n1	ZINC000453576256	429153941	/nfs/dbraw/zinc/15/39/41/429153941.db2.gz	FJGBRUCUQRLKAV-NSHDSACASA-N	0	3	318.283	2.580	20	30		DFEDHN
C=CCC1(C(=O)NCc2cccc(CN(C)C)c2)CCOCC1	ZINC000424565321	429155289	/nfs/dbraw/zinc/15/52/89/429155289.db2.gz	QIGQVOGUDKIIIK-UHFFFAOYSA-N	0	3	316.445	2.737	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	ZINC000424164882	429102047	/nfs/dbraw/zinc/10/20/47/429102047.db2.gz	AJZJXDSDVKWDNN-BDXSIMOUSA-N	0	3	311.429	2.802	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccncc1	ZINC000424159736	429103181	/nfs/dbraw/zinc/10/31/81/429103181.db2.gz	AJGPDKJEZGZSTP-CVEARBPZSA-N	0	3	300.406	2.546	20	30		DFEDHN
C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H](N)CCCC#N	ZINC000424172934	429104764	/nfs/dbraw/zinc/10/47/64/429104764.db2.gz	ONIKZQZVVDNGKW-WQGACYEGSA-N	0	3	303.381	2.681	20	30		DFEDHN
COC[C@]1(C)CCN(C(=O)C(C#N)CCc2ccccc2)C1	ZINC000452790422	429139148	/nfs/dbraw/zinc/13/91/48/429139148.db2.gz	CIAXZXVTZNGTQJ-FUHWJXTLSA-N	0	3	300.402	2.644	20	30		DFEDHN
C[C@H]1CCCCN1CCNC(=O)Nc1cccc(CC#N)c1	ZINC000454343945	429164255	/nfs/dbraw/zinc/16/42/55/429164255.db2.gz	OGLPNEZFRPCSJB-AWEZNQCLSA-N	0	3	300.406	2.749	20	30		DFEDHN
CCc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)N(C)C)cc1	ZINC000487896496	429171329	/nfs/dbraw/zinc/17/13/29/429171329.db2.gz	NWBSAWRDDQAOQK-GOSISDBHSA-N	0	3	308.429	3.539	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000454501597	429166909	/nfs/dbraw/zinc/16/69/09/429166909.db2.gz	RTOBZJNFMGCQAV-HRCADAONSA-N	0	3	306.454	2.632	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000454674298	429170621	/nfs/dbraw/zinc/17/06/21/429170621.db2.gz	NTGQJPKRHQQRLW-HNNXBMFYSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NCC1(N(C)Cc2ccccc2)CCC1	ZINC000454674303	429170742	/nfs/dbraw/zinc/17/07/42/429170742.db2.gz	NTGQJPKRHQQRLW-OAHLLOKOSA-N	0	3	301.434	2.915	20	30		DFEDHN
C=CCC1(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CCOCC1	ZINC000424663690	429171086	/nfs/dbraw/zinc/17/10/86/429171086.db2.gz	NJFIWMHEPKVJJB-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
C=CCC1(C(=O)NCCN2CCCC[C@@H]2CC)CCOCC1	ZINC000424673313	429173100	/nfs/dbraw/zinc/17/31/00/429173100.db2.gz	YPBRTWPYLYWOKA-INIZCTEOSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1OC)C(C)C	ZINC000455425762	429189226	/nfs/dbraw/zinc/18/92/26/429189226.db2.gz	YJSOVCDXEFJWBM-BRWVUGGUSA-N	0	3	323.481	2.552	20	30		DFEDHN
C=C(C)C(C)(C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1	ZINC000424751637	429185718	/nfs/dbraw/zinc/18/57/18/429185718.db2.gz	VGQGREABCBWHKJ-UHFFFAOYSA-N	0	3	321.509	2.606	20	30		DFEDHN
CN1CC[C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21	ZINC000455735375	429206205	/nfs/dbraw/zinc/20/62/05/429206205.db2.gz	QTKPWKMZYSIDSI-DOMZBBRYSA-N	0	3	318.808	2.574	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCC#Cc2ccc(F)cc2)C1	ZINC000495481574	429213469	/nfs/dbraw/zinc/21/34/69/429213469.db2.gz	RJERGAAFYQARGY-GOEBONIOSA-N	0	3	318.392	2.634	20	30		DFEDHN
COC(=O)N1CCC[C@@H]([C@H](C)NCc2cccc(C#N)c2F)C1	ZINC000495482465	429213708	/nfs/dbraw/zinc/21/37/08/429213708.db2.gz	VRIJOSVRPAPTSW-SWLSCSKDSA-N	0	3	319.380	2.654	20	30		DFEDHN
COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(F)cc2C#N)C1	ZINC000495555553	429222441	/nfs/dbraw/zinc/22/24/41/429222441.db2.gz	GJAYCUSMXIGUJX-OCCSQVGLSA-N	0	3	319.380	2.654	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)N1CCC(C)CC1	ZINC000455910502	429225710	/nfs/dbraw/zinc/22/57/10/429225710.db2.gz	CRTSKVFPQOESRM-HNNXBMFYSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455917935	429225729	/nfs/dbraw/zinc/22/57/29/429225729.db2.gz	KNRUSVZMCFFANU-GJZGRUSLSA-N	0	3	314.433	2.995	20	30		DFEDHN
C=CCCCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000495281444	429196969	/nfs/dbraw/zinc/19/69/69/429196969.db2.gz	NEJIVESJAGWZEK-HUUCEWRRSA-N	0	3	312.454	2.957	20	30		DFEDHN
C=C(C)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1	ZINC000456124510	429246277	/nfs/dbraw/zinc/24/62/77/429246277.db2.gz	SOJBWCRHJKAFFG-UHFFFAOYSA-N	0	3	316.445	2.587	20	30		DFEDHN
Cc1cc(NCCCN2CCc3ccccc3C2)c(C#N)cn1	ZINC000425210838	429247270	/nfs/dbraw/zinc/24/72/70/429247270.db2.gz	VYFKHPCIXALKLV-UHFFFAOYSA-N	0	3	306.413	2.544	20	30		DFEDHN
Cc1cc(CNCCC(=O)NCc2ccccc2)ccc1C#N	ZINC000443983786	429260550	/nfs/dbraw/zinc/26/05/50/429260550.db2.gz	WVXWVPLENINZTG-UHFFFAOYSA-N	0	3	307.397	2.663	20	30		DFEDHN
C=CCOCCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000495792457	429266480	/nfs/dbraw/zinc/26/64/80/429266480.db2.gz	FSPNHYJUQVKGLL-QGZVFWFLSA-N	0	3	310.438	2.664	20	30		DFEDHN
C=C(C)CCN1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000495799522	429267452	/nfs/dbraw/zinc/26/74/52/429267452.db2.gz	HQLNCJYLNDVLPH-GJZGRUSLSA-N	0	3	310.438	2.663	20	30		DFEDHN
CCN(CCC#N)C(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C	ZINC000490036755	429275313	/nfs/dbraw/zinc/27/53/13/429275313.db2.gz	RKPQTRZTEYOKGY-AEFFLSMTSA-N	0	3	313.445	2.935	20	30		DFEDHN
C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425361614	429278434	/nfs/dbraw/zinc/27/84/34/429278434.db2.gz	ZOONRABOHDEOSE-OLZOCXBDSA-N	0	3	306.406	2.833	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)COc1ccccc1	ZINC000425542162	429319081	/nfs/dbraw/zinc/31/90/81/429319081.db2.gz	QFNYTJWGXKVRCP-MAUKXSAKSA-N	0	3	310.397	2.991	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000491096227	429325047	/nfs/dbraw/zinc/32/50/47/429325047.db2.gz	QKWRSZWEFJNJEW-GDBMZVCRSA-N	0	3	320.383	2.624	20	30		DFEDHN
C#C[C@H](CC)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000491182313	429332147	/nfs/dbraw/zinc/33/21/47/429332147.db2.gz	ZYMRVQPRLUSTRI-KZNAEPCWSA-N	0	3	313.445	2.781	20	30		DFEDHN
C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)C(=O)Nc1cccc(C#N)c1	ZINC000503516049	429334105	/nfs/dbraw/zinc/33/41/05/429334105.db2.gz	JNCWWTKEARBGPQ-LERXQTSPSA-N	0	3	323.343	2.635	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)C2(C#N)CCC2)[C@H]1c1cccs1	ZINC000365539453	429335984	/nfs/dbraw/zinc/33/59/84/429335984.db2.gz	PNASPNRPOSKTRB-ZFWWWQNUSA-N	0	3	317.458	2.941	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456695301	429339198	/nfs/dbraw/zinc/33/91/98/429339198.db2.gz	OPFYLAUVCHLUJJ-KSSFIOAISA-N	0	3	305.466	2.895	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC1	ZINC000446306232	429300028	/nfs/dbraw/zinc/30/00/28/429300028.db2.gz	ZQIRIWGYFDOOHG-DGCLKSJQSA-N	0	3	321.387	2.913	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000490714189	429302170	/nfs/dbraw/zinc/30/21/70/429302170.db2.gz	NOQZTKAJNFJJER-GOEBONIOSA-N	0	3	319.474	2.796	20	30		DFEDHN
C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CC1	ZINC000495978957	429302638	/nfs/dbraw/zinc/30/26/38/429302638.db2.gz	DXYBWACEJKCFKU-KBPBESRZSA-N	0	3	307.438	2.915	20	30		DFEDHN
C=CCN(CC=C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1	ZINC000496053010	429304699	/nfs/dbraw/zinc/30/46/99/429304699.db2.gz	ZCRIBOBMAFDYLF-GOSISDBHSA-N	0	3	324.465	2.813	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1	ZINC000496121027	429309934	/nfs/dbraw/zinc/30/99/34/429309934.db2.gz	IALYXWHUPUHVBD-QKPAOTATSA-N	0	3	319.449	2.867	20	30		DFEDHN
N#CCC[C@@H](C#N)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425499060	429310832	/nfs/dbraw/zinc/31/08/32/429310832.db2.gz	IBRBTFARAYDHDG-GBESFXJTSA-N	0	3	308.429	2.636	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)OC1CCC1	ZINC000496212197	429312220	/nfs/dbraw/zinc/31/22/20/429312220.db2.gz	JQQKJDQEURGZJE-UHFFFAOYSA-N	0	3	301.390	2.611	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1	ZINC000448773810	429317075	/nfs/dbraw/zinc/31/70/75/429317075.db2.gz	WLADYRPAGSQXCM-MAUKXSAKSA-N	0	3	303.450	2.651	20	30		DFEDHN
C=CCc1cc(CN2CC[C@H](CO)[C@H]2CC)cc(OC)c1O	ZINC000449419761	429410797	/nfs/dbraw/zinc/41/07/97/429410797.db2.gz	HXFYSOLQPLHWST-HZPDHXFCSA-N	0	3	305.418	2.722	20	30		DFEDHN
C=CCOc1ccc(C(=O)NCCN2CCCC2(C)C)cc1	ZINC000457078958	429394630	/nfs/dbraw/zinc/39/46/30/429394630.db2.gz	RBIUWJKOJIRCEV-UHFFFAOYSA-N	0	3	302.418	2.856	20	30		DFEDHN
C#CCNC(=O)C1CCN([C@H](C)c2ccc(Cl)cc2)CC1	ZINC000491711760	429395564	/nfs/dbraw/zinc/39/55/64/429395564.db2.gz	XHYXUGFACQYMPL-CYBMUJFWSA-N	0	3	304.821	2.862	20	30		DFEDHN
C#CCN(C)CCCNC(=O)/C=C/c1cnc(C(C)(C)C)s1	ZINC000491746377	429402355	/nfs/dbraw/zinc/40/23/55/429402355.db2.gz	OKWKEIFPXMQZQP-CMDGGOBGSA-N	0	3	319.474	2.525	20	30		DFEDHN
C#CCN1CCC(C(=O)NC2(C(C)(C)c3ccccc3)CC2)CC1	ZINC000491748263	429402415	/nfs/dbraw/zinc/40/24/15/429402415.db2.gz	SWUHNGLYHSVROI-UHFFFAOYSA-N	0	3	324.468	2.958	20	30		DFEDHN
CCc1nnc(N2CCCN(CC(C)C)CC2)c(C#N)c1CC	ZINC000366065354	429411176	/nfs/dbraw/zinc/41/11/76/429411176.db2.gz	DKIOLRXDTCOAPB-UHFFFAOYSA-N	0	3	315.465	2.641	20	30		DFEDHN
C#C[C@@H](NC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)C	ZINC000491754633	429404246	/nfs/dbraw/zinc/40/42/46/429404246.db2.gz	UKYJKQQWRIEGHU-QGZVFWFLSA-N	0	3	317.433	2.543	20	30		DFEDHN
C#C[C@H](NC(=O)NC1CCN(CC)CC1)c1ccc(Cl)cc1	ZINC000491752704	429404347	/nfs/dbraw/zinc/40/43/47/429404347.db2.gz	ZBNCJKUMMUFEOW-INIZCTEOSA-N	0	3	319.836	2.798	20	30		DFEDHN
N#CCCn1cc(CNCC2=CCOCC2)c(-c2ccccc2)n1	ZINC000449405097	429407155	/nfs/dbraw/zinc/40/71/55/429407155.db2.gz	XELZGQKERXKLHC-UHFFFAOYSA-N	0	3	322.412	2.900	20	30		DFEDHN
C#CCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1	ZINC000491338906	429349854	/nfs/dbraw/zinc/34/98/54/429349854.db2.gz	MKCNTXYDTRNPBZ-CRAIPNDOSA-N	0	3	313.445	2.793	20	30		DFEDHN
CC(C)(O)C(C)(C)CNC(=O)C(C#N)CCc1ccccc1	ZINC000456794692	429350199	/nfs/dbraw/zinc/35/01/99/429350199.db2.gz	HQZYWVVLIGUOPF-HNNXBMFYSA-N	0	3	302.418	2.672	20	30		DFEDHN
C#C[C@@H](NC(=O)c1ccccc1CN(C)C)c1ccc(F)cc1	ZINC000491363425	429352088	/nfs/dbraw/zinc/35/20/88/429352088.db2.gz	ZRLCGLAHMVFXAI-GOSISDBHSA-N	0	3	310.372	2.992	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1c(F)cccc1F	ZINC000491372987	429353453	/nfs/dbraw/zinc/35/34/53/429353453.db2.gz	LLIHJRKLNQRACE-CYBMUJFWSA-N	0	3	323.387	2.622	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(CCC(C)C)cn2)CC1	ZINC000491404774	429356023	/nfs/dbraw/zinc/35/60/23/429356023.db2.gz	FEABCGVGJZLYGH-UHFFFAOYSA-N	0	3	313.445	2.954	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N1CC2(CCC2)c2ccccc21	ZINC000491426530	429360057	/nfs/dbraw/zinc/36/00/57/429360057.db2.gz	GQXYIIXCYZUFBT-UHFFFAOYSA-N	0	3	311.429	2.593	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCCCC#N)C1	ZINC000365733315	429365173	/nfs/dbraw/zinc/36/51/73/429365173.db2.gz	QPGLTDQZQVHUHQ-KRWDZBQOSA-N	0	3	314.433	2.596	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)C(=O)CSc2ccc(C#N)cc2)C1	ZINC000457130008	429410149	/nfs/dbraw/zinc/41/01/49/429410149.db2.gz	SVFYRUHSGUISNU-HNNXBMFYSA-N	0	3	317.458	2.591	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C\c2cccc(OC)c2)CC1	ZINC000491547811	429373815	/nfs/dbraw/zinc/37/38/15/429373815.db2.gz	QIDSXGTWJVOLCK-FPLPWBNLSA-N	0	3	314.429	2.865	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H]1CCc2c1ccc(Cl)c2Cl	ZINC000491570096	429375029	/nfs/dbraw/zinc/37/50/29/429375029.db2.gz	ZGGLHTYSADMTQG-CYBMUJFWSA-N	0	3	311.212	2.710	20	30		DFEDHN
C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000515386622	429376883	/nfs/dbraw/zinc/37/68/83/429376883.db2.gz	QVCWMOYTGJBKBF-KDOFPFPSSA-N	0	3	303.450	2.649	20	30		DFEDHN
C#C[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)C(C)C	ZINC000491638741	429383568	/nfs/dbraw/zinc/38/35/68/429383568.db2.gz	WDSNQVXJENZBKY-KBPBESRZSA-N	0	3	314.198	2.869	20	30		DFEDHN
C#CCNC(=O)C1CCN(Cc2cnc3ccc(C)cc3c2)CC1	ZINC000491639100	429383778	/nfs/dbraw/zinc/38/37/78/429383778.db2.gz	WODYIJQQJLKTQN-UHFFFAOYSA-N	0	3	321.424	2.505	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1noc2c1CCCC2	ZINC000517066798	429385087	/nfs/dbraw/zinc/38/50/87/429385087.db2.gz	YHUKHJIJBDBWBS-HNNXBMFYSA-N	0	3	323.396	2.942	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000518965742	429441858	/nfs/dbraw/zinc/44/18/58/429441858.db2.gz	VLAZRTFLCJYIQV-BMGDILEWSA-N	0	3	310.397	2.861	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)c2c(c1)OCCO2	ZINC000449549395	429447486	/nfs/dbraw/zinc/44/74/86/429447486.db2.gz	XPSKENFCGAPLPO-KGLIPLIRSA-N	0	3	309.793	2.934	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCOC[C@H](C2CCC2)C1	ZINC000366421844	429450968	/nfs/dbraw/zinc/45/09/68/429450968.db2.gz	QUUITSBOLZJMES-NVXWUHKLSA-N	0	3	308.466	2.548	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C1CCC1	ZINC000492053313	429458687	/nfs/dbraw/zinc/45/86/87/429458687.db2.gz	YXLJBYQJVZDAPA-ZHACJKMWSA-N	0	3	311.429	2.805	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N(CCN1CCCC1)c1ccccc1	ZINC000519522047	429461210	/nfs/dbraw/zinc/46/12/10/429461210.db2.gz	WFGZXZOWFQNIJN-MSOLQXFVSA-N	0	3	314.429	2.707	20	30		DFEDHN
COc1cc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1C#N	ZINC000449633633	429463885	/nfs/dbraw/zinc/46/38/85/429463885.db2.gz	PWHDJVBXFKSFAK-IAGOWNOFSA-N	0	3	300.402	2.956	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)c(N)n2)CC1	ZINC000519608023	429469558	/nfs/dbraw/zinc/46/95/58/429469558.db2.gz	HNAGRZHGXVKZKV-AWEZNQCLSA-N	0	3	321.428	3.173	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](CO)[C@H]2CC)cc(OC)c1O	ZINC000449419762	429411404	/nfs/dbraw/zinc/41/14/04/429411404.db2.gz	HXFYSOLQPLHWST-JKSUJKDBSA-N	0	3	305.418	2.722	20	30		DFEDHN
CN(C)CCN(C(=O)/C=C/c1cccc(C#N)c1)C1CCCC1	ZINC000491874431	429425409	/nfs/dbraw/zinc/42/54/09/429425409.db2.gz	VPEWBGJSKCKDHG-ZHACJKMWSA-N	0	3	311.429	2.904	20	30		DFEDHN
CCC(CC)CN(CC)CC(=O)NCc1ccc(C#N)cc1	ZINC000519907938	429497530	/nfs/dbraw/zinc/49/75/30/429497530.db2.gz	SWBWEYSNLIUWFZ-UHFFFAOYSA-N	0	3	301.434	2.933	20	30		DFEDHN
CC(C)(CCC#N)CN(CCN1CCOCC1)Cc1ccco1	ZINC000449761810	429501535	/nfs/dbraw/zinc/50/15/35/429501535.db2.gz	BEBJYUBHJVAHPX-UHFFFAOYSA-N	0	3	319.449	2.744	20	30		DFEDHN
C[C@@H]1C[C@@H](O)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000449764680	429503383	/nfs/dbraw/zinc/50/33/83/429503383.db2.gz	CZWGLTNVMLOVDD-CRAIPNDOSA-N	0	3	324.428	2.666	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCCC12CCCCCC2)C1CC1	ZINC000366742127	429504888	/nfs/dbraw/zinc/50/48/88/429504888.db2.gz	WAXSLPIBNLQVMV-KRWDZBQOSA-N	0	3	303.450	2.984	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCCN(Cc3cccnc3)C2)c1C#N	ZINC000366786806	429513712	/nfs/dbraw/zinc/51/37/12/429513712.db2.gz	SFKOWPGZTCVTFF-KRWDZBQOSA-N	0	3	321.428	2.981	20	30		DFEDHN
C[C@](O)(CNCCSCc1ccccc1C#N)C(F)(F)F	ZINC000520567524	429520092	/nfs/dbraw/zinc/52/00/92/429520092.db2.gz	LDJPLFZUKSZOFZ-ZDUSSCGKSA-N	0	3	318.364	2.694	20	30		DFEDHN
C[C@@H]1[C@@H](NCc2cccc(C#N)c2)CC(=O)N1Cc1ccccc1	ZINC000366997872	429553729	/nfs/dbraw/zinc/55/37/29/429553729.db2.gz	OLOAGXIQFNYHLY-BEFAXECRSA-N	0	3	319.408	2.837	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nc1C	ZINC000458003201	429563024	/nfs/dbraw/zinc/56/30/24/429563024.db2.gz	IKSSAWAOZINPMV-QGZVFWFLSA-N	0	3	318.380	2.569	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	ZINC000450108299	429567586	/nfs/dbraw/zinc/56/75/86/429567586.db2.gz	USMFBTGAEWGBSN-CXAGYDPISA-N	0	3	322.412	2.588	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	ZINC000450108302	429568099	/nfs/dbraw/zinc/56/80/99/429568099.db2.gz	USMFBTGAEWGBSN-SUMWQHHRSA-N	0	3	322.412	2.588	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000522179978	429583625	/nfs/dbraw/zinc/58/36/25/429583625.db2.gz	OWRVAPCXLKTAKJ-QGZVFWFLSA-N	0	3	301.434	2.718	20	30		DFEDHN
CN(CCN1CCCC1)Cc1cc(C#N)ccc1Br	ZINC000492657350	429588361	/nfs/dbraw/zinc/58/83/61/429588361.db2.gz	SBYNUUNQTNUDGD-UHFFFAOYSA-N	0	3	322.250	2.848	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CCN(C)C1	ZINC000429881526	429637811	/nfs/dbraw/zinc/63/78/11/429637811.db2.gz	CLMZYFKLRWUKNI-CYBMUJFWSA-N	0	3	313.426	2.763	20	30		DFEDHN
CC1(C#N)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1	ZINC000450500109	429639397	/nfs/dbraw/zinc/63/93/97/429639397.db2.gz	LXYMJDYNCXBNIB-INIZCTEOSA-N	0	3	303.450	2.936	20	30		DFEDHN
CCC(=Nn1cnnc1)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000492907903	429642911	/nfs/dbraw/zinc/64/29/11/429642911.db2.gz	RGVVRMSAZGCPGR-CYBMUJFWSA-N	0	3	307.398	2.682	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)/C=C\c1cccc(C#N)c1	ZINC000492930478	429646224	/nfs/dbraw/zinc/64/62/24/429646224.db2.gz	VWOSYLBXSUFUKQ-HJWRWDBZSA-N	0	3	311.429	2.906	20	30		DFEDHN
C[C@@H](NCc1cnc2n1CCCC2)c1ccc(OCC#N)cc1	ZINC000367435705	429647712	/nfs/dbraw/zinc/64/77/12/429647712.db2.gz	CLUYJVGWSHXXKS-CQSZACIVSA-N	0	3	310.401	2.973	20	30		DFEDHN
C=CCCO[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1	ZINC000458199447	429599989	/nfs/dbraw/zinc/59/99/89/429599989.db2.gz	RHQAGPCIWWWWQR-OAHLLOKOSA-N	0	3	320.433	2.855	20	30		DFEDHN
Cc1nsc(NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1C#N	ZINC000459553744	429699473	/nfs/dbraw/zinc/69/94/73/429699473.db2.gz	IJSBUYBWQXBJSW-PHIMTYICSA-N	0	3	321.450	2.708	20	30		DFEDHN
C[C@@H](N[C@H]1COC[C@H]1O)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000463157186	429708317	/nfs/dbraw/zinc/70/83/17/429708317.db2.gz	XGENSSFNPLOHIC-ZNZDAUKMSA-N	0	3	308.381	2.636	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@@H]2CCN(C)[C@@H]2c2cccs2)n1	ZINC000367732478	429708416	/nfs/dbraw/zinc/70/84/16/429708416.db2.gz	ZPJDRFUKPVXWNI-YOEHRIQHSA-N	0	3	312.442	3.428	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)cc1	ZINC000475366543	429716357	/nfs/dbraw/zinc/71/63/57/429716357.db2.gz	DWBVPRNAPZTJPC-PBHICJAKSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=CCN(CC(=O)NC(=O)NCC(C)C)CC1CCCCC1	ZINC000484543798	429739990	/nfs/dbraw/zinc/73/99/90/429739990.db2.gz	QHYDWXSHMLYMLJ-UHFFFAOYSA-N	0	3	309.454	2.537	20	30		DFEDHN
COC[C@@]1(NCc2ccc(C#N)c(C)c2)COc2ccccc2C1	ZINC000527800437	429799550	/nfs/dbraw/zinc/79/95/50/429799550.db2.gz	ORMCOINPRJKCTR-HXUWFJFHSA-N	0	3	322.408	2.977	20	30		DFEDHN
C#Cc1ccc(CN2CCCC[C@H]2Cn2nc(C)nc2C)cc1	ZINC000368014903	429766609	/nfs/dbraw/zinc/76/66/09/429766609.db2.gz	HOWUYYLXOUOAHL-IBGZPJMESA-N	0	3	308.429	2.931	20	30		DFEDHN
O=C(CCN1CCc2ccccc2C1)NCC#Cc1ccccc1	ZINC000431525001	429768478	/nfs/dbraw/zinc/76/84/78/429768478.db2.gz	RWLBHOVWEBKFDU-UHFFFAOYSA-N	0	3	318.420	2.603	20	30		DFEDHN
CC(C#N)C(=O)N1CCc2ccc(F)c(Br)c2C1	ZINC000527627896	429769079	/nfs/dbraw/zinc/76/90/79/429769079.db2.gz	IXTSWPIXVXUJKL-QMMMGPOBSA-N	0	3	311.154	2.633	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CC[C@](C)(COC)C1	ZINC000451188595	429783530	/nfs/dbraw/zinc/78/35/30/429783530.db2.gz	HSADXZRWJFZCOQ-MJGOQNOKSA-N	0	3	319.445	2.513	20	30		DFEDHN
COCCn1cc2c(n1)[C@@H](NCC(C)(C)CCC#N)CCC2	ZINC000368088402	429785861	/nfs/dbraw/zinc/78/58/61/429785861.db2.gz	YFUYSBCZPPKOJI-HNNXBMFYSA-N	0	3	304.438	2.826	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)C[C@@H]2C)CC1	ZINC000527729771	429787947	/nfs/dbraw/zinc/78/79/47/429787947.db2.gz	MDTADYWYYAPTBF-ZDUSSCGKSA-N	0	3	315.408	2.856	20	30		DFEDHN
C[C@]1(CNCc2ccc(C#N)s2)COc2ccccc2O1	ZINC000527734506	429789176	/nfs/dbraw/zinc/78/91/76/429789176.db2.gz	JZPDBNRDRHHTFB-INIZCTEOSA-N	0	3	300.383	2.939	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCCO[C@@H]3CCC[C@H]32)c1	ZINC000368452270	429851000	/nfs/dbraw/zinc/85/10/00/429851000.db2.gz	ZIFCCKFAIADTCE-QZTJIDSGSA-N	0	3	300.402	2.971	20	30		DFEDHN
CC(C#N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000493989794	429852189	/nfs/dbraw/zinc/85/21/89/429852189.db2.gz	USDWEZZVVOOEMM-ICIURTGMSA-N	0	3	321.421	2.535	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C	ZINC000451599553	429860913	/nfs/dbraw/zinc/86/09/13/429860913.db2.gz	OPZVELVLWRAAJQ-SOLBZPMBSA-N	0	3	320.408	2.572	20	30		DFEDHN
N#Cc1nc(NC[C@@H]2CCN2C2CCCC2)ccc1C(F)(F)F	ZINC000528212243	429861452	/nfs/dbraw/zinc/86/14/52/429861452.db2.gz	SATUUQDTILTSBJ-LBPRGKRZSA-N	0	3	324.350	3.401	20	30		DFEDHN
C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000494237920	429862081	/nfs/dbraw/zinc/86/20/81/429862081.db2.gz	NWNRGPRUUNNYCZ-LYOVBCGYSA-N	0	3	321.808	2.696	20	30		DFEDHN
Cc1c(Cl)cnc(NC[C@H]2CCN2C2CCCC2)c1C#N	ZINC000528212401	429862299	/nfs/dbraw/zinc/86/22/99/429862299.db2.gz	XCKNWQZVFPFYNK-CYBMUJFWSA-N	0	3	304.825	3.344	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000368531614	429862565	/nfs/dbraw/zinc/86/25/65/429862565.db2.gz	WEGLQXPBSXNXIS-KSZLIROESA-N	0	3	322.493	2.817	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000451338099	429814335	/nfs/dbraw/zinc/81/43/35/429814335.db2.gz	GRALZYIHWMBWTO-BSDSXHPESA-N	0	3	322.493	2.815	20	30		DFEDHN
CCc1csc([C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)n1	ZINC000528366240	429880052	/nfs/dbraw/zinc/88/00/52/429880052.db2.gz	ZMPDNXXIKQDQHP-DZGCQCFKSA-N	0	3	319.474	2.940	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC(Oc3ccc(F)cc3)CC2)CC1	ZINC000528384298	429882979	/nfs/dbraw/zinc/88/29/79/429882979.db2.gz	RFBJZLKUPAZPBX-HNNXBMFYSA-N	0	3	318.392	2.724	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1C#N	ZINC000368673416	429886125	/nfs/dbraw/zinc/88/61/25/429886125.db2.gz	SRORQVKZPGZBBD-JKSUJKDBSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC(C)(C)C1=CCN(C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528430088	429887895	/nfs/dbraw/zinc/88/78/95/429887895.db2.gz	VVDICIRTERJTRB-KRWDZBQOSA-N	0	3	314.429	2.976	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1	ZINC000368705786	429889466	/nfs/dbraw/zinc/88/94/66/429889466.db2.gz	FTZYVNRJNWWQOK-QYZOEREBSA-N	0	3	315.413	2.515	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cccc(OCC)c2)CC1	ZINC000528449659	429890209	/nfs/dbraw/zinc/89/02/09/429890209.db2.gz	PKSKWPHZXSKICO-UHFFFAOYSA-N	0	3	316.445	2.785	20	30		DFEDHN
N#CC1(C(=O)NC2CCN(Cc3cccs3)CC2)CCCC1	ZINC000368801583	429895149	/nfs/dbraw/zinc/89/51/49/429895149.db2.gz	CUWFTTWJLOHLBA-UHFFFAOYSA-N	0	3	317.458	2.913	20	30		DFEDHN
CN(C(=O)c1cccc(C#N)c1)C1CCN(c2ccncc2)CC1	ZINC000368934489	429903021	/nfs/dbraw/zinc/90/30/21/429903021.db2.gz	ZMAJFGGAYJYCRB-UHFFFAOYSA-N	0	3	320.396	2.694	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(C)(N2CCOCC2)CC1	ZINC000528726310	429909712	/nfs/dbraw/zinc/90/97/12/429909712.db2.gz	GGOXFANZECKEJY-MRXNPFEDSA-N	0	3	313.445	2.806	20	30		DFEDHN
COc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccc1C#N	ZINC000369111007	429913532	/nfs/dbraw/zinc/91/35/32/429913532.db2.gz	FDJAHWKUDVRWPM-QGZVFWFLSA-N	0	3	300.402	2.815	20	30		DFEDHN
C[C@@H]1CC(F)(F)CCN1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000528768908	429914660	/nfs/dbraw/zinc/91/46/60/429914660.db2.gz	PIUVWLSJVQIXPO-HIFRSBDPSA-N	0	3	324.371	2.612	20	30		DFEDHN
C=CCN1CC[C@H](N2C[C@@H](C)C[C@@H]2c2ccc(OC)cc2)C1=O	ZINC000369201443	429919523	/nfs/dbraw/zinc/91/95/23/429919523.db2.gz	AHTUXXZUTFCZMV-JCGIZDLHSA-N	0	3	314.429	2.865	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)CC1	ZINC000528338948	429875827	/nfs/dbraw/zinc/87/58/27/429875827.db2.gz	FOXUGAGUWKVIRB-KRWDZBQOSA-N	0	3	300.377	2.970	20	30		DFEDHN
Cc1cc(CN2CCC(OC[C@H]3CCOC3)CC2)ccc1C#N	ZINC000573512845	429958111	/nfs/dbraw/zinc/95/81/11/429958111.db2.gz	IQJQAOJEBDBCPA-KRWDZBQOSA-N	0	3	314.429	2.884	20	30		DFEDHN
CCCN1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1	ZINC000558041006	429961348	/nfs/dbraw/zinc/96/13/48/429961348.db2.gz	SQEKIOGXWFKCOA-SQNIBIBYSA-N	0	3	311.429	2.627	20	30		DFEDHN
C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cnc2c(C#N)cnn2c1	ZINC000573207231	429935277	/nfs/dbraw/zinc/93/52/77/429935277.db2.gz	BSAINKVCERWSCN-WMLDXEAASA-N	0	3	317.396	2.979	20	30		DFEDHN
C#CCOc1ccc(CNCc2cccc(-n3cncn3)c2)cc1	ZINC000369412121	429940203	/nfs/dbraw/zinc/94/02/03/429940203.db2.gz	PBKPFDDNPYGTPI-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C[C@H]2CCOC2)C1	ZINC000369421491	429940961	/nfs/dbraw/zinc/94/09/61/429940961.db2.gz	CKLICQXLKJVUFG-OKZBNKHCSA-N	0	3	320.477	2.714	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C[C@@H]2CCOC2)C1	ZINC000369421489	429941874	/nfs/dbraw/zinc/94/18/74/429941874.db2.gz	CKLICQXLKJVUFG-BZSNNMDCSA-N	0	3	320.477	2.714	20	30		DFEDHN
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000369450722	429946280	/nfs/dbraw/zinc/94/62/80/429946280.db2.gz	FXPAOCKVPWGVAB-ROUUACIJSA-N	0	3	323.440	2.941	20	30		DFEDHN
N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000529009690	429949395	/nfs/dbraw/zinc/94/93/95/429949395.db2.gz	LJWGDGQZBQINNM-HNNXBMFYSA-N	0	3	316.380	2.836	20	30		DFEDHN
CN(Cc1cc2ccccc2o1)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000574277993	430027508	/nfs/dbraw/zinc/02/75/08/430027508.db2.gz	YFCPRBJNIHJENO-CYBMUJFWSA-N	0	3	321.384	2.675	20	30		DFEDHN
CN1CCC[C@H](CNc2cncc(C#N)n2)[C@H]1c1ccccc1	ZINC000574389891	430036336	/nfs/dbraw/zinc/03/63/36/430036336.db2.gz	CZZOHLBDYWPESM-CRAIPNDOSA-N	0	3	307.401	2.843	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)N1CCC(CCC#N)CC1	ZINC000575744242	430098828	/nfs/dbraw/zinc/09/88/28/430098828.db2.gz	LCDOLHIYLRXUBH-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](O)COc1ccccc1C#N	ZINC000530232059	430106222	/nfs/dbraw/zinc/10/62/22/430106222.db2.gz	WISDOCZRRACVQK-LIVBEALHSA-N	0	3	322.408	2.821	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC1(CF)CCC1)C(C)C	ZINC000575278988	430067211	/nfs/dbraw/zinc/06/72/11/430067211.db2.gz	CGEVBMZFWBMCNJ-HNNXBMFYSA-N	0	3	311.445	2.876	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2c(C#N)cnn2c1	ZINC000561278933	430084656	/nfs/dbraw/zinc/08/46/56/430084656.db2.gz	UVSATTYBTQQDEH-KRWDZBQOSA-N	0	3	303.369	2.687	20	30		DFEDHN
C=CCCC[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1	ZINC000538096119	430173731	/nfs/dbraw/zinc/17/37/31/430173731.db2.gz	VMFCXKZYDYAWAG-OAHLLOKOSA-N	0	3	304.438	2.742	20	30		DFEDHN
CN(CCCNC(=O)Cc1cccc(C#N)c1)Cc1ccccc1	ZINC000530910309	430128860	/nfs/dbraw/zinc/12/88/60/430128860.db2.gz	QZMPFCZNOQNPGZ-UHFFFAOYSA-N	0	3	321.424	2.739	20	30		DFEDHN
N#CC(C(=O)c1cnn2c1CCC2)c1ccc(C(F)(F)F)cn1	ZINC000580158377	430130343	/nfs/dbraw/zinc/13/03/43/430130343.db2.gz	WYWLWAZMEIRWHT-JTQLQIEISA-N	0	3	320.274	2.733	20	30		DFEDHN
CC[C@@](C)(C#N)c1nc(-c2ccc(OCCN(C)C)cc2)no1	ZINC000580675263	430144315	/nfs/dbraw/zinc/14/43/15/430144315.db2.gz	IQUDZWOJWQYXDA-KRWDZBQOSA-N	0	3	314.389	2.868	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)[C@H]2CCCC[C@H]12	ZINC000531588245	430146064	/nfs/dbraw/zinc/14/60/64/430146064.db2.gz	UTMVLDBIAQVOTR-ZACQAIPSSA-N	0	3	316.449	2.543	20	30		DFEDHN
CN1C(=O)C[C@H](NCc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000120023568	277014950	/nfs/dbraw/zinc/01/49/50/277014950.db2.gz	KKMWOQYVHJZFJU-PKOBYXMFSA-N	0	3	323.371	2.759	20	30		DFEDHN
COC(=O)[C@@H](C)Oc1ccc(CN2CCC(CC#N)CC2)cc1	ZINC000540991107	430182933	/nfs/dbraw/zinc/18/29/33/430182933.db2.gz	CWSFQBDAVPHVOJ-CQSZACIVSA-N	0	3	316.401	2.753	20	30		DFEDHN
N#CCC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000541019243	430183011	/nfs/dbraw/zinc/18/30/11/430183011.db2.gz	DHPOSRLBCWYOCI-UHFFFAOYSA-N	0	3	316.361	2.549	20	30		DFEDHN
CN1CCC(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000174516735	277024696	/nfs/dbraw/zinc/02/46/96/277024696.db2.gz	BTCVNFUCJMJSDL-UHFFFAOYSA-N	0	3	324.346	2.515	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000364010296	277065564	/nfs/dbraw/zinc/06/55/64/277065564.db2.gz	CDUXNZCSCAQMMI-HUUCEWRRSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCC(=O)N1CC[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000581226235	430188396	/nfs/dbraw/zinc/18/83/96/430188396.db2.gz	YJZGQWNLIMISSK-FUHWJXTLSA-N	0	3	311.429	2.926	20	30		DFEDHN
CCC(=O)N1CC[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1	ZINC000581226236	430188591	/nfs/dbraw/zinc/18/85/91/430188591.db2.gz	YJZGQWNLIMISSK-SJLPKXTDSA-N	0	3	311.429	2.926	20	30		DFEDHN
C[C@H]1C[C@@H](CO)CCN1Cc1cccc(OCCCC#N)c1	ZINC000563658576	430190072	/nfs/dbraw/zinc/19/00/72/430190072.db2.gz	URFVEWYYPZTQNT-RDJZCZTQSA-N	0	3	302.418	2.962	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@H](NC[C@H](O)CN(C)CCC#N)CC2	ZINC000564873804	430200806	/nfs/dbraw/zinc/20/08/06/430200806.db2.gz	SAJZEFNHPNVDRW-PKOBYXMFSA-N	0	3	315.461	2.593	20	30		DFEDHN
Cc1ccc(-c2nsc(NC(=O)[C@H](N)CCCC#N)n2)s1	ZINC000567500349	430284535	/nfs/dbraw/zinc/28/45/35/430284535.db2.gz	XMXFFYVXGOUDFH-SECBINFHSA-N	0	3	321.431	2.535	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000543455921	430249564	/nfs/dbraw/zinc/24/95/64/430249564.db2.gz	IXTRJYQXSCUQMR-CJNGLKHVSA-N	0	3	317.820	2.768	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@H](c2ccncc2)C1	ZINC000566425343	430260157	/nfs/dbraw/zinc/26/01/57/430260157.db2.gz	UPGBTXZCBOIOKH-KRWDZBQOSA-N	0	3	320.396	2.771	20	30		DFEDHN
CCN1CCCC[C@H]1CNC(=O)N1CCC(CCC#N)CC1	ZINC000582178407	430275721	/nfs/dbraw/zinc/27/57/21/430275721.db2.gz	ZBCBDAPNIPGWJW-INIZCTEOSA-N	0	3	306.454	2.586	20	30		DFEDHN
CC(C)C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cccs1	ZINC000567227621	430281372	/nfs/dbraw/zinc/28/13/72/430281372.db2.gz	SYLOBVRJPAJTGP-CABCVRRESA-N	0	3	309.479	2.631	20	30		DFEDHN
C=CCCCCCN(C)Cc1ccc(F)c(S(N)(=O)=O)c1	ZINC000638095433	430235693	/nfs/dbraw/zinc/23/56/93/430235693.db2.gz	SQMCOTPEPNYHIR-UHFFFAOYSA-N	0	3	314.426	2.651	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(NC)c(F)c2)CC1	ZINC000635530671	430298641	/nfs/dbraw/zinc/29/86/41/430298641.db2.gz	IHPBZNWDEIQDRC-UHFFFAOYSA-N	0	3	305.397	2.638	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](O)CC12CCC2	ZINC000568985676	430411733	/nfs/dbraw/zinc/41/17/33/430411733.db2.gz	PFKWVAIZNNUYSR-SJORKVTESA-N	0	3	312.413	2.665	20	30		DFEDHN
C=CCCC[C@@H](C)n1cc(Cn2ccc(CNCC)n2)nn1	ZINC000641234546	430366739	/nfs/dbraw/zinc/36/67/39/430366739.db2.gz	SFKDEJPPHBGHDZ-CQSZACIVSA-N	0	3	302.426	2.550	20	30		DFEDHN
CC(C)C1CC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1	ZINC000583357477	430387956	/nfs/dbraw/zinc/38/79/56/430387956.db2.gz	DDQGSLJOXOHVDZ-DAWZGUTISA-N	0	3	311.429	2.683	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OC(F)F)c(Cl)c1	ZINC000641769020	430466741	/nfs/dbraw/zinc/46/67/41/430466741.db2.gz	OAKFVWPCRYLZHS-NSHDSACASA-N	0	3	303.736	2.805	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccc(OC)c(O[C@@H](C)CC)c1	ZINC000641768554	430467353	/nfs/dbraw/zinc/46/73/53/430467353.db2.gz	CAOSDUJNZNFBDV-HOCLYGCPSA-N	0	3	305.418	2.736	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1ccccc1OCc1ccccn1	ZINC000641768504	430467422	/nfs/dbraw/zinc/46/74/22/430467422.db2.gz	AWSXNAAGDDBXHT-KRWDZBQOSA-N	0	3	310.397	2.525	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H](C2CCC2)C1	ZINC000569199165	430431383	/nfs/dbraw/zinc/43/13/83/430431383.db2.gz	XUYYTFCWTXGWDL-QZTJIDSGSA-N	0	3	312.413	2.786	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@H](C2CCC2)C1	ZINC000569199167	430432259	/nfs/dbraw/zinc/43/22/59/430432259.db2.gz	XUYYTFCWTXGWDL-ROUUACIJSA-N	0	3	312.413	2.786	20	30		DFEDHN
CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1cccc(F)c1	ZINC000590569954	430487512	/nfs/dbraw/zinc/48/75/12/430487512.db2.gz	RVJKTIOESWBBSB-LBPRGKRZSA-N	0	3	324.812	3.522	20	30		DFEDHN
C=CCC1(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CCCC1	ZINC000569899992	430495374	/nfs/dbraw/zinc/49/53/74/430495374.db2.gz	VPECBOSKDDJILV-UHFFFAOYSA-N	0	3	316.449	3.225	20	30		DFEDHN
C[C@@H]1C[C@H](C)N1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000548753808	430497847	/nfs/dbraw/zinc/49/78/47/430497847.db2.gz	SWPDKZCBNKSSPS-PHIMTYICSA-N	0	3	303.431	2.920	20	30		DFEDHN
CC1CCN([C@@H](CNc2cc(C#N)cnn2)c2ccccc2)CC1	ZINC000596086466	430507027	/nfs/dbraw/zinc/50/70/27/430507027.db2.gz	ALFSVMYIUAINSY-SFHVURJKSA-N	0	3	321.428	3.233	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCc2nc(C)ncc2C1	ZINC000642341038	430511909	/nfs/dbraw/zinc/51/19/09/430511909.db2.gz	ZQBSZMPKQKYHKK-QGZVFWFLSA-N	0	3	309.413	2.997	20	30		DFEDHN
CCc1ccc(CN(C)C[C@@H](O)CC2(C#N)CCOCC2)cc1	ZINC000599259727	430530516	/nfs/dbraw/zinc/53/05/16/430530516.db2.gz	VCPHHVDONMGEHH-SFHVURJKSA-N	0	3	316.445	2.752	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N2CCC[C@]2(C)C1=O)C(C)C	ZINC000272326137	277850003	/nfs/dbraw/zinc/85/00/03/277850003.db2.gz	UBMBJIZRZREGTR-CRAIPNDOSA-N	0	3	319.449	2.502	20	30		DFEDHN
N#Cc1cnn2c1NC[C@H](CN(Cc1cccs1)C1CC1)C2	ZINC000571209182	430611203	/nfs/dbraw/zinc/61/12/03/430611203.db2.gz	RPDKYDAESWDGKK-GFCCVEGCSA-N	0	3	313.430	2.523	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC3CCC2CC3)cc1	ZINC000571234824	430614745	/nfs/dbraw/zinc/61/47/45/430614745.db2.gz	CIAAIOQNBPWGPQ-KXIUCKCTSA-N	0	3	307.397	2.935	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1	ZINC000571259390	430615795	/nfs/dbraw/zinc/61/57/95/430615795.db2.gz	PXJFGRKGQMPELP-GOSISDBHSA-N	0	3	312.417	2.816	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000554217926	430629934	/nfs/dbraw/zinc/62/99/34/430629934.db2.gz	BVTXBMOANIHEEA-GFCCVEGCSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC(C)[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000571981010	430664372	/nfs/dbraw/zinc/66/43/72/430664372.db2.gz	QCTZGXBEFHTCRP-IAGOWNOFSA-N	0	3	323.868	2.833	20	30		DFEDHN
CC(C)[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000571981012	430664380	/nfs/dbraw/zinc/66/43/80/430664380.db2.gz	QCTZGXBEFHTCRP-SJORKVTESA-N	0	3	323.868	2.833	20	30		DFEDHN
Cc1c(C#N)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)nc2ccccc12	ZINC000571987334	430665518	/nfs/dbraw/zinc/66/55/18/430665518.db2.gz	QWBIBHIOFLVJAY-GXTWGEPZSA-N	0	3	306.413	3.452	20	30		DFEDHN
C=C(C)COCCNC[C@@H](O)COc1cc(C)ccc1Cl	ZINC000572235625	430677646	/nfs/dbraw/zinc/67/76/46/430677646.db2.gz	CEVDOBONOWUCON-CQSZACIVSA-N	0	3	313.825	2.570	20	30		DFEDHN
C[C@H]1CCN(CCCSCC#N)C[C@H]1C(=O)OC(C)(C)C	ZINC000572360245	430683782	/nfs/dbraw/zinc/68/37/82/430683782.db2.gz	NWVBTZIRDVWLSW-UONOGXRCSA-N	0	3	312.479	2.933	20	30		DFEDHN
CS[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1N1CCCC1	ZINC000275408887	278157332	/nfs/dbraw/zinc/15/73/32/278157332.db2.gz	FWHOWOOKGOHLHD-HZPDHXFCSA-N	0	3	316.474	2.586	20	30		DFEDHN
Cn1cc([C@@H]2CN(CCOc3ccccc3C#N)CC2(C)C)cn1	ZINC000572682194	430694350	/nfs/dbraw/zinc/69/43/50/430694350.db2.gz	CALQFSVYCPAEND-KRWDZBQOSA-N	0	3	324.428	2.796	20	30		DFEDHN
C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nc(-c3nc[n-]n3)no2)C(C)C)C1	ZINC000651739068	430862110	/nfs/dbraw/zinc/86/21/10/430862110.db2.gz	HZIHXMQSNZMBJS-AGIUHOORSA-N	0	3	316.409	2.886	20	30		DFEDHN
C=CCCCCCN(C)C(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000661980920	430911926	/nfs/dbraw/zinc/91/19/26/430911926.db2.gz	LGVRADXYJLVCHH-KRWDZBQOSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCCC1(CNC(=O)N[C@@H](CN)C(F)(F)F)CCCC1	ZINC000659024413	430944776	/nfs/dbraw/zinc/94/47/76/430944776.db2.gz	BWBZNRFNAKXEPP-NSHDSACASA-N	0	3	307.360	2.702	20	30		DFEDHN
C=CCN(CC=C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659028865	430947009	/nfs/dbraw/zinc/94/70/09/430947009.db2.gz	QRPGSJKKSOCACF-INIZCTEOSA-N	0	3	301.390	2.553	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)C1	ZINC000665702342	431008532	/nfs/dbraw/zinc/00/85/32/431008532.db2.gz	XZKWFCMVIVHMAY-IRXDYDNUSA-N	0	3	301.434	2.567	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(COC)cc1	ZINC000662084869	430953644	/nfs/dbraw/zinc/95/36/44/430953644.db2.gz	XTUZVBQGJRBXAK-HDICACEKSA-N	0	3	314.429	2.632	20	30		DFEDHN
C=CCCOCC(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000652116256	430963954	/nfs/dbraw/zinc/96/39/54/430963954.db2.gz	OABMOXMIXXXDQJ-HNNXBMFYSA-N	0	3	324.852	2.694	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(CCC)[C@H]2CCN(C)C2)cc1	ZINC000649002232	430970507	/nfs/dbraw/zinc/97/05/07/430970507.db2.gz	AAOPHSMJUBOYBQ-INIZCTEOSA-N	0	3	302.418	2.808	20	30		DFEDHN
C=CCN(Cc1ccccc1F)C(=O)C1(N)Cc2ccccc2C1	ZINC000649266415	431048634	/nfs/dbraw/zinc/04/86/34/431048634.db2.gz	LULPQKJLVPZXGR-UHFFFAOYSA-N	0	3	324.399	2.837	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(c2nc(-c3ccccc3)no2)CC1	ZINC000649286253	431057727	/nfs/dbraw/zinc/05/77/27/431057727.db2.gz	NDYBNNAKPARSFH-INIZCTEOSA-N	0	3	313.401	2.853	20	30		DFEDHN
C=CCC[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1	ZINC000659470589	431066899	/nfs/dbraw/zinc/06/68/99/431066899.db2.gz	GQUCUFGKASFGDO-BZUAXINKSA-N	0	3	305.397	2.775	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000662251348	431016920	/nfs/dbraw/zinc/01/69/20/431016920.db2.gz	ACBQYFQMNWQCMF-HNNXBMFYSA-N	0	3	304.438	2.742	20	30		DFEDHN
C=CCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000665946637	431073697	/nfs/dbraw/zinc/07/36/97/431073697.db2.gz	RJMUUNPICBQVGL-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCOCCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000659512083	431075197	/nfs/dbraw/zinc/07/51/97/431075197.db2.gz	LUKYXVISMIHQDP-KRWDZBQOSA-N	0	3	319.449	2.702	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@H](OC)[C@@H]1CCOC1	ZINC000659848579	431141304	/nfs/dbraw/zinc/14/13/04/431141304.db2.gz	FWSLAVGQFUPFBZ-AEFFLSMTSA-N	0	3	305.418	2.735	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC2(C[C@@H]1C)CCOCC2	ZINC000646100797	431184843	/nfs/dbraw/zinc/18/48/43/431184843.db2.gz	OWMAUYOEANSNQO-JKSUJKDBSA-N	0	3	308.466	2.691	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](CN)C(F)(F)F	ZINC000655929654	431223523	/nfs/dbraw/zinc/22/35/23/431223523.db2.gz	UPQSWNQVNZFBFS-CYBMUJFWSA-N	0	3	315.339	2.664	20	30		DFEDHN
C=C(C)CCN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000649745314	431271263	/nfs/dbraw/zinc/27/12/63/431271263.db2.gz	IZKMYIAYUMCMBU-UHFFFAOYSA-N	0	3	322.474	2.881	20	30		DFEDHN
C=C(C)CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649752079	431274641	/nfs/dbraw/zinc/27/46/41/431274641.db2.gz	YNMWLJLVUOQJSL-MOPGFXCFSA-N	0	3	300.446	2.928	20	30		DFEDHN
C=CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1	ZINC000660280138	431356068	/nfs/dbraw/zinc/35/60/68/431356068.db2.gz	KOTMBCHHXRRKMH-UHFFFAOYSA-N	0	3	301.434	2.699	20	30		DFEDHN
C=CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000660512640	431470357	/nfs/dbraw/zinc/47/03/57/431470357.db2.gz	BSFJCONRKJAWNB-CQSZACIVSA-N	0	3	307.463	2.835	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(C)(C)CC)CC1	ZINC000653809278	431537429	/nfs/dbraw/zinc/53/74/29/431537429.db2.gz	UAQBVSAJFPRPBO-INIZCTEOSA-N	0	3	309.498	2.606	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000660681662	431548753	/nfs/dbraw/zinc/54/87/53/431548753.db2.gz	SYIKLGVIQFYKBR-HNNXBMFYSA-N	0	3	316.449	2.557	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000654307782	431733724	/nfs/dbraw/zinc/73/37/24/431733724.db2.gz	KCCLPVFVYXNQNC-IRXDYDNUSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000654307781	431734314	/nfs/dbraw/zinc/73/43/14/431734314.db2.gz	KCCLPVFVYXNQNC-IAGOWNOFSA-N	0	3	314.429	2.998	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)nn1C	ZINC000657455141	431762194	/nfs/dbraw/zinc/76/21/94/431762194.db2.gz	PZHSSTHZJKCATF-ZWNOBZJWSA-N	0	3	303.328	2.510	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1ccc(Cl)cc1)[C@@H](C)COC	ZINC000661247125	431794922	/nfs/dbraw/zinc/79/49/22/431794922.db2.gz	MNXRWDILANNWNN-DZGCQCFKSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=CCN(C[C@H](O)COc1ccc(Cl)cc1)[C@@H](C)COC	ZINC000661247253	431795520	/nfs/dbraw/zinc/79/55/20/431795520.db2.gz	MNXRWDILANNWNN-ZFWWWQNUSA-N	0	3	313.825	2.603	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@@H]1NCc1cn(Cc2cccnc2)nn1	ZINC000657530073	431798412	/nfs/dbraw/zinc/79/84/12/431798412.db2.gz	MLRHVJNFBDEGBT-AEFFLSMTSA-N	0	3	311.433	2.946	20	30		DFEDHN
C=CCCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000651067998	431800600	/nfs/dbraw/zinc/80/06/00/431800600.db2.gz	GQNBVXLGUWMXRG-GOSISDBHSA-N	0	3	301.434	2.916	20	30		DFEDHN
C[C@H](CCS(C)(=O)=O)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360656378	289502057	/nfs/dbraw/zinc/50/20/57/289502057.db2.gz	HVYLSIBYYJGSCQ-DYVFJYSZSA-N	0	3	320.458	2.739	20	30		DFEDHN
CC(C)CN1CCCC[C@H]1CNC(=O)c1sccc1C#N	ZINC000154127983	295292766	/nfs/dbraw/zinc/29/27/66/295292766.db2.gz	WQNARKSTFOSVFV-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
C=C(C)CCN(Cc1cncs1)C1CCN(C(C)=O)CC1	ZINC000292543307	335091559	/nfs/dbraw/zinc/09/15/59/335091559.db2.gz	XXMBWAQKKIVDOJ-UHFFFAOYSA-N	0	3	307.463	2.922	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C#N)cn1)N(C)C	ZINC000527192365	300642558	/nfs/dbraw/zinc/64/25/58/300642558.db2.gz	ZDPFGWDTEAIMOG-KBXCAEBGSA-N	0	3	322.412	2.683	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)c(F)c1	ZINC000538613600	301325232	/nfs/dbraw/zinc/32/52/32/301325232.db2.gz	BPTGSYLBDFRIQM-GFCCVEGCSA-N	0	3	312.348	2.772	20	30		DFEDHN
N#Cc1ccc2ncc(CN3CCC[C@@H]3C3CCOCC3)n2c1	ZINC000539670884	301346835	/nfs/dbraw/zinc/34/68/35/301346835.db2.gz	VAXYARVZXYIFNF-QGZVFWFLSA-N	0	3	310.401	2.597	20	30		DFEDHN
CCO[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@H]1n1cccn1	ZINC000550945451	301654347	/nfs/dbraw/zinc/65/43/47/301654347.db2.gz	RKZWUADXXZGREC-INDMIFKZSA-N	0	3	322.412	2.750	20	30		DFEDHN
Cc1cccc([C@@H]2CCN(Cc3cnc4c(C#N)cnn4c3)C2)c1	ZINC000566241861	302269436	/nfs/dbraw/zinc/26/94/36/302269436.db2.gz	BVFDAZKNDTXLNS-QGZVFWFLSA-N	0	3	317.396	2.899	20	30		DFEDHN
CN1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccccc1	ZINC000567828134	302391006	/nfs/dbraw/zinc/39/10/06/302391006.db2.gz	AEILJWZLTKRGLJ-NVXWUHKLSA-N	0	3	321.384	2.520	20	30		DFEDHN
CO[C@]1(C)C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000570047998	302553657	/nfs/dbraw/zinc/55/36/57/302553657.db2.gz	CUDIJJFZMDWJNG-GDBMZVCRSA-N	0	3	303.362	2.760	20	30		DFEDHN
C=CCN(CCc1ccccc1)C[C@H](O)COCC(F)(F)F	ZINC000292610280	335092180	/nfs/dbraw/zinc/09/21/80/335092180.db2.gz	MAMRFXRUCBQTBN-HNNXBMFYSA-N	0	3	317.351	2.657	20	30		DFEDHN
N#Cc1ncccc1NCC1(N2CCSCC2)CCCC1	ZINC000290528059	303217452	/nfs/dbraw/zinc/21/74/52/303217452.db2.gz	NUEFVWBGRJULDI-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(OCC#N)cc1	ZINC000280929855	332762981	/nfs/dbraw/zinc/76/29/81/332762981.db2.gz	FIGVALNALMNODL-ASSNKEHSSA-N	0	3	306.431	2.541	20	30		DFEDHN
CC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1	ZINC000182317120	316096530	/nfs/dbraw/zinc/09/65/30/316096530.db2.gz	HPPPYUNUVFVEAM-CABCVRRESA-N	0	3	321.808	2.697	20	30		DFEDHN
COc1ccccc1[C@H]1CNCCN1Cc1cccc(C#N)c1	ZINC000575753642	318081279	/nfs/dbraw/zinc/08/12/79/318081279.db2.gz	WXDGDNBUGNKMLI-GOSISDBHSA-N	0	3	307.397	2.713	20	30		DFEDHN
Cc1ccccc1[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000576346176	318119893	/nfs/dbraw/zinc/11/98/93/318119893.db2.gz	IWFQESKVQVOAFM-MRXNPFEDSA-N	0	3	317.396	2.899	20	30		DFEDHN
N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)nc1	ZINC000577506334	318198238	/nfs/dbraw/zinc/19/82/38/318198238.db2.gz	RZWMWFQGXMRGGV-GOSISDBHSA-N	0	3	304.397	2.590	20	30		DFEDHN
CN1CCN(CCNc2cccc(C(F)F)c2C#N)CC1(C)C	ZINC000577529571	318199604	/nfs/dbraw/zinc/19/96/04/318199604.db2.gz	VODDEGHFZOMZTK-UHFFFAOYSA-N	0	3	322.403	2.934	20	30		DFEDHN
Cc1c(CNC[C@H]2CNc3c(C#N)cnn3C2)oc2ccccc12	ZINC000578811383	318286700	/nfs/dbraw/zinc/28/67/00/318286700.db2.gz	URBPXPDFFWHHSQ-ZDUSSCGKSA-N	0	3	321.384	2.641	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CNCc2ccc(C#N)s2)c(C)c1	ZINC000579701263	318348215	/nfs/dbraw/zinc/34/82/15/318348215.db2.gz	AOBBZMVKVVUPAU-CQSZACIVSA-N	0	3	316.426	2.766	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@H]1n1cccn1	ZINC000580102807	318376441	/nfs/dbraw/zinc/37/64/41/318376441.db2.gz	NKJCXLNWYRRSBS-RCCFBDPRSA-N	0	3	310.401	2.572	20	30		DFEDHN
CCc1nc(C2CCN(Cc3ccc(C#N)s3)CC2)n[nH]1	ZINC000191693684	323238081	/nfs/dbraw/zinc/23/80/81/323238081.db2.gz	ZJFHIBIAJHXECA-UHFFFAOYSA-N	0	3	301.419	2.680	20	30		DFEDHN
CCc1n[nH]c(C2CCN(Cc3ccc(C#N)s3)CC2)n1	ZINC000191693684	323238083	/nfs/dbraw/zinc/23/80/83/323238083.db2.gz	ZJFHIBIAJHXECA-UHFFFAOYSA-N	0	3	301.419	2.680	20	30		DFEDHN
CCc1nnc(C2CCN(Cc3ccc(C#N)s3)CC2)[nH]1	ZINC000191693684	323238085	/nfs/dbraw/zinc/23/80/85/323238085.db2.gz	ZJFHIBIAJHXECA-UHFFFAOYSA-N	0	3	301.419	2.680	20	30		DFEDHN
CC(C)(C)OC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1	ZINC000194539809	323269790	/nfs/dbraw/zinc/26/97/90/323269790.db2.gz	JEYYBRWUGYNIPW-KRWDZBQOSA-N	0	3	302.418	2.699	20	30		DFEDHN
CC(C)CC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000391190286	323345124	/nfs/dbraw/zinc/34/51/24/323345124.db2.gz	VHCHHNSAEPHMHT-UHFFFAOYSA-N	0	3	322.474	2.994	20	30		DFEDHN
Cc1cc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc(C#N)n1	ZINC000398063209	323356647	/nfs/dbraw/zinc/35/66/47/323356647.db2.gz	NBURPDRSOXHZQG-KXBFYZLASA-N	0	3	306.413	2.759	20	30		DFEDHN
CC[C@H](C)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1	ZINC000581199821	323490045	/nfs/dbraw/zinc/49/00/45/323490045.db2.gz	KCJKONTZTKXLCS-HNNXBMFYSA-N	0	3	309.417	2.664	20	30		DFEDHN
C=C(C)COCCNC[C@H](O)COc1c(C)ccc(C)c1C	ZINC000564851636	331802280	/nfs/dbraw/zinc/80/22/80/331802280.db2.gz	DVPMFGYLDMBGFL-KRWDZBQOSA-N	0	3	307.434	2.534	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(CCOC)CCC2)CC1	ZINC000159336368	332078590	/nfs/dbraw/zinc/07/85/90/332078590.db2.gz	AEOVXNAGBINKME-UHFFFAOYSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC(F)(F)C2)CC1	ZINC000426376144	332096799	/nfs/dbraw/zinc/09/67/99/332096799.db2.gz	CVEQXLWRISGWMU-CQSZACIVSA-N	0	3	315.408	2.904	20	30		DFEDHN
COc1ccc(CN(C)CC[C@H](C)O)cc1OCCCC#N	ZINC000093481807	332139519	/nfs/dbraw/zinc/13/95/19/332139519.db2.gz	LMQWAXVTBKYEPJ-AWEZNQCLSA-N	0	3	306.406	2.580	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)COC	ZINC000427119053	332168970	/nfs/dbraw/zinc/16/89/70/332168970.db2.gz	FEMWKWORXIXVQP-AWEZNQCLSA-N	0	3	324.494	2.620	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1ccccc1N)C(C)C	ZINC000236690275	332201989	/nfs/dbraw/zinc/20/19/89/332201989.db2.gz	ZYWDLRFDTBGSNJ-QGZVFWFLSA-N	0	3	301.434	2.697	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C	ZINC000370875581	332274433	/nfs/dbraw/zinc/27/44/33/332274433.db2.gz	GSWSFWQCYJOLAW-SJORKVTESA-N	0	3	314.429	2.950	20	30		DFEDHN
CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1	ZINC000112530024	332314084	/nfs/dbraw/zinc/31/40/84/332314084.db2.gz	IHPDMBZHUYAZBJ-CABCVRRESA-N	0	3	317.433	2.885	20	30		DFEDHN
CCC[C@@H](O)CNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000113342270	332319738	/nfs/dbraw/zinc/31/97/38/332319738.db2.gz	OXBUYQFHSGMDCY-QGZVFWFLSA-N	0	3	312.417	2.714	20	30		DFEDHN
CN(C)C[C@@H](CNC(=O)C(C)(C)C#N)c1ccc(Cl)cc1	ZINC000560508498	332347978	/nfs/dbraw/zinc/34/79/78/332347978.db2.gz	IJANDMFWKTXWFX-CYBMUJFWSA-N	0	3	307.825	2.651	20	30		DFEDHN
N#CCCn1ccc(NC(=O)c2cccc(CN3CCCC3)c2)n1	ZINC000117854136	332349519	/nfs/dbraw/zinc/34/95/19/332349519.db2.gz	BQUMWIAGVBNGMV-UHFFFAOYSA-N	0	3	323.400	2.645	20	30		DFEDHN
C#CCNC(=O)CCN1CC[C@@H](Sc2cccc(Cl)c2)C1	ZINC000293433197	335106137	/nfs/dbraw/zinc/10/61/37/335106137.db2.gz	BIOOHCPWEGKCOE-OAHLLOKOSA-N	0	3	322.861	2.646	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)C1(C#N)CCC1)c1ccsc1	ZINC000134598276	332606418	/nfs/dbraw/zinc/60/64/18/332606418.db2.gz	OJWIFGZLYJYVDL-CQSZACIVSA-N	0	3	305.447	2.941	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1CCC(C)(c2ccccc2)CC1	ZINC000153763218	332727846	/nfs/dbraw/zinc/72/78/46/332727846.db2.gz	NHGYXDVYASLKJC-INIZCTEOSA-N	0	3	313.445	2.801	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCCCOCCCC)CC1	ZINC000106262377	332965392	/nfs/dbraw/zinc/96/53/92/332965392.db2.gz	WJOZUIIACNNIFE-UHFFFAOYSA-N	0	3	311.470	2.533	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1F)C(=O)NCCCCC#N	ZINC000171449286	333048562	/nfs/dbraw/zinc/04/85/62/333048562.db2.gz	LCIBTSFHKTZCOW-UHFFFAOYSA-N	0	3	320.412	2.593	20	30		DFEDHN
C#CCCCC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C	ZINC000294292898	335120687	/nfs/dbraw/zinc/12/06/87/335120687.db2.gz	HLKKXLXGXDJCBO-MRXNPFEDSA-N	0	3	304.459	2.931	20	30		DFEDHN
COC[C@H](C)N(C)Cc1ccc(OC)c(OCCCC#N)c1	ZINC000179372622	333149823	/nfs/dbraw/zinc/14/98/23/333149823.db2.gz	RMZRXVKIKFJXQA-AWEZNQCLSA-N	0	3	306.406	2.844	20	30		DFEDHN
CC(C)(COc1ncccc1Br)NCCCC#N	ZINC000180396641	333161421	/nfs/dbraw/zinc/16/14/21/333161421.db2.gz	PMJOAFDYMGVTDA-UHFFFAOYSA-N	0	3	312.211	2.895	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)[C@@H](C)c1ccccc1	ZINC000181536119	333169912	/nfs/dbraw/zinc/16/99/12/333169912.db2.gz	XDYGABYNDRQKSZ-BZUAXINKSA-N	0	3	301.434	2.776	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)C(=O)N(C)CCC#N	ZINC000181792764	333172307	/nfs/dbraw/zinc/17/23/07/333172307.db2.gz	SDLFROFJCOSSIB-CABCVRRESA-N	0	3	301.434	2.703	20	30		DFEDHN
C[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(OCC#N)cc1	ZINC000181805209	333172722	/nfs/dbraw/zinc/17/27/22/333172722.db2.gz	DKQZZKHJWMDJSU-CYBMUJFWSA-N	0	3	304.390	2.971	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000182153567	333176483	/nfs/dbraw/zinc/17/64/83/333176483.db2.gz	DZAGHVDWBAVFAN-CQSZACIVSA-N	0	3	318.421	2.781	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1	ZINC000294797850	335127616	/nfs/dbraw/zinc/12/76/16/335127616.db2.gz	BOFWVPNRMABCRB-GOEBONIOSA-N	0	3	314.429	2.535	20	30		DFEDHN
C=C(C)COc1cc(CN2CCC[C@H](O)[C@@H]2C)ccc1OC	ZINC000294727028	335127058	/nfs/dbraw/zinc/12/70/58/335127058.db2.gz	DAHMPVRJIKGMRZ-HOCLYGCPSA-N	0	3	305.418	2.995	20	30		DFEDHN
CC[C@H](CC#N)NCc1ccccc1N(C)C1CCN(C)CC1	ZINC000184088209	333191780	/nfs/dbraw/zinc/19/17/80/333191780.db2.gz	IJEVEVGVEYEHMV-QGZVFWFLSA-N	0	3	314.477	2.999	20	30		DFEDHN
C#CCNC(=O)CCNC1(c2cccc(C(F)(F)F)c2)CCC1	ZINC000294439846	335122787	/nfs/dbraw/zinc/12/27/87/335122787.db2.gz	FGINXMADERRVRE-UHFFFAOYSA-N	0	3	324.346	2.814	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000309877287	333204709	/nfs/dbraw/zinc/20/47/09/333204709.db2.gz	ILUSXEPTTMOFPX-MOPGFXCFSA-N	0	3	313.445	2.955	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000185786704	333214142	/nfs/dbraw/zinc/21/41/42/333214142.db2.gz	STJPTFHIQFDIND-HOCLYGCPSA-N	0	3	317.408	2.834	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCCCS(=O)(=O)c2ccccc2)C1	ZINC000185804291	333214401	/nfs/dbraw/zinc/21/44/01/333214401.db2.gz	MKLJNQBFTBDXQS-LSDHHAIUSA-N	0	3	306.431	2.522	20	30		DFEDHN
C=C(CC)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000497269301	333230304	/nfs/dbraw/zinc/23/03/04/333230304.db2.gz	ONTAXEMPRXLROG-MRXNPFEDSA-N	0	3	323.481	2.580	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@@H](CCNC(C)=O)C2)c1	ZINC000518786800	333253286	/nfs/dbraw/zinc/25/32/86/333253286.db2.gz	ZEISPPTUCJJJFJ-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
CC(C)(C)CC(C)(C)N1CCN(C(=O)NCC2(C#N)CC2)CC1	ZINC000563065647	333255836	/nfs/dbraw/zinc/25/58/36/333255836.db2.gz	DGCBGDSAIJSJPJ-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
COc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1OCCCC#N	ZINC000189338440	333257085	/nfs/dbraw/zinc/25/70/85/333257085.db2.gz	LJWSRLOOQGQMOV-IAGOWNOFSA-N	0	3	318.417	2.627	20	30		DFEDHN
C#CCN(C)CCCN[C@@H](C)c1cnn(Cc2ccccc2)c1	ZINC000295131574	335132555	/nfs/dbraw/zinc/13/25/55/335132555.db2.gz	ZZSDUQXRVKZVCP-KRWDZBQOSA-N	0	3	310.445	2.537	20	30		DFEDHN
C[C@H](SCCN(C)Cc1ccccc1)C(=O)N(C)CCC#N	ZINC000193626762	333305107	/nfs/dbraw/zinc/30/51/07/333305107.db2.gz	QFGYQNLZOGGYCQ-HNNXBMFYSA-N	0	3	319.474	2.612	20	30		DFEDHN
C=CC1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1	ZINC000111382470	333329371	/nfs/dbraw/zinc/32/93/71/333329371.db2.gz	DBAKHBBIYBGANG-QGZVFWFLSA-N	0	3	303.402	2.527	20	30		DFEDHN
CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCSCC#N)C1	ZINC000493099508	333331952	/nfs/dbraw/zinc/33/19/52/333331952.db2.gz	RUBWIDZSTXDQPD-ZDUSSCGKSA-N	0	3	313.467	2.574	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCNC(=O)CC1	ZINC000295638517	335136345	/nfs/dbraw/zinc/13/63/45/335136345.db2.gz	YDPFCICWRHLSRM-INIZCTEOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21	ZINC000163028774	333424441	/nfs/dbraw/zinc/42/44/41/333424441.db2.gz	UIKLETWNNVQMJJ-ZOBUZTSGSA-N	0	3	316.445	2.954	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C)[C@H](OC)c2ccccc2Cl)C1=O	ZINC000337195613	333441880	/nfs/dbraw/zinc/44/18/80/333441880.db2.gz	WVVHLKTWAOJBDR-RCBQFDQVSA-N	0	3	322.836	2.793	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CNC(C)(C)COCc1ccccc1	ZINC000337299596	333445622	/nfs/dbraw/zinc/44/56/22/333445622.db2.gz	VPASVAMICNIKCK-UHFFFAOYSA-N	0	3	318.461	2.996	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN(C2CCCCC2)CC1	ZINC000337823934	333460485	/nfs/dbraw/zinc/46/04/85/333460485.db2.gz	UJJGTRIEJPRRLH-UHFFFAOYSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCC(COC)CC1	ZINC000112412211	333464856	/nfs/dbraw/zinc/46/48/56/333464856.db2.gz	RNNXXFGMMQIFCV-SFHVURJKSA-N	0	3	319.445	2.513	20	30		DFEDHN
CC1CCN(CCN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1	ZINC000366071660	333491235	/nfs/dbraw/zinc/49/12/35/333491235.db2.gz	FLMBVJJXWZUILX-ROUUACIJSA-N	0	3	305.466	2.646	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1	ZINC000338826354	333499176	/nfs/dbraw/zinc/49/91/76/333499176.db2.gz	CWPGNDDFLCPZQP-UHFFFAOYSA-N	0	3	303.454	2.510	20	30		DFEDHN
C#Cc1ccc(CNC(=O)NC2CCN(CC(=C)C)CC2)cc1	ZINC000296525557	335145933	/nfs/dbraw/zinc/14/59/33/335145933.db2.gz	DDOPFMGRYHYUCM-UHFFFAOYSA-N	0	3	311.429	2.508	20	30		DFEDHN
OC[C@]1([C@@H](NCC#Cc2ccccc2Cl)C2CC2)CCCO1	ZINC000339760154	333592135	/nfs/dbraw/zinc/59/21/35/333592135.db2.gz	VDJUSWHUJQYWPT-ROUUACIJSA-N	0	3	319.832	2.601	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000185919707	335154925	/nfs/dbraw/zinc/15/49/25/335154925.db2.gz	ANNKAKSZFDRLPJ-OAHLLOKOSA-N	0	3	313.445	2.773	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1	ZINC000413814616	333874975	/nfs/dbraw/zinc/87/49/75/333874975.db2.gz	FPPYYSKOHZIMKV-SJORKVTESA-N	0	3	301.434	2.519	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1CC(F)F	ZINC000343470014	335167443	/nfs/dbraw/zinc/16/74/43/335167443.db2.gz	XQWCBRPUSBQPGU-GJZGRUSLSA-N	0	3	322.355	2.642	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	ZINC000265115002	333963315	/nfs/dbraw/zinc/96/33/15/333963315.db2.gz	XZGAAQIISPPSPH-CABCVRRESA-N	0	3	316.449	2.917	20	30		DFEDHN
C[C@@H]1C[C@H](O)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000414520485	334005851	/nfs/dbraw/zinc/00/58/51/334005851.db2.gz	CZWGLTNVMLOVDD-QAPCUYQASA-N	0	3	324.428	2.666	20	30		DFEDHN
N#CCc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000270248520	334009835	/nfs/dbraw/zinc/00/98/35/334009835.db2.gz	AHIYKGNYDPTGQS-GOSISDBHSA-N	0	3	311.429	2.843	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1ccccc1	ZINC000270659293	334015133	/nfs/dbraw/zinc/01/51/33/334015133.db2.gz	OBZDZGVGSAHYLS-OALUTQOASA-N	0	3	319.408	2.928	20	30		DFEDHN
C[C@@H]1[C@@H](CO)CCCN1Cc1cccc(OCCCC#N)c1	ZINC000414561048	334019175	/nfs/dbraw/zinc/01/91/75/334019175.db2.gz	BCGIJQFGWYYHPG-NVXWUHKLSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=CCOc1ccc(CN2CCSC[C@H](C(=O)OC)C2)cc1	ZINC000414571242	334023483	/nfs/dbraw/zinc/02/34/83/334023483.db2.gz	UKUPOTACHGXXPA-OAHLLOKOSA-N	0	3	321.442	2.589	20	30		DFEDHN
C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(OCC#N)cc1	ZINC000271888491	334028312	/nfs/dbraw/zinc/02/83/12/334028312.db2.gz	RHYSHNJEMGCNFT-MFKMUULPSA-N	0	3	302.296	2.553	20	30		DFEDHN
Cc1ccccc1[C@H](NCC(=O)N(CCC#N)CCC#N)C1CC1	ZINC000271991635	334029343	/nfs/dbraw/zinc/02/93/43/334029343.db2.gz	GJNFQWFXKQHAPS-LJQANCHMSA-N	0	3	324.428	2.692	20	30		DFEDHN
Cc1ccnc(OC2CCN(CCCSCC#N)CC2)c1	ZINC000272933543	334041097	/nfs/dbraw/zinc/04/10/97/334041097.db2.gz	KGJCIFDKWAPVHU-UHFFFAOYSA-N	0	3	305.447	2.880	20	30		DFEDHN
CC(C)(C)[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1O	ZINC000273428629	334046527	/nfs/dbraw/zinc/04/65/27/334046527.db2.gz	UCUOJPUXWDZHGW-IAGOWNOFSA-N	0	3	302.418	2.818	20	30		DFEDHN
N#C[C@H]1CCC[C@H](NCc2cc(F)ccc2N2CCOCC2)C1	ZINC000274228544	334057409	/nfs/dbraw/zinc/05/74/09/334057409.db2.gz	RZJPGZJQLAQKCN-YOEHRIQHSA-N	0	3	317.408	2.834	20	30		DFEDHN
CC[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)N(CC)CC	ZINC000274565724	334063182	/nfs/dbraw/zinc/06/31/82/334063182.db2.gz	KYZCUPIASHISPT-IEBWSBKVSA-N	0	3	313.445	2.674	20	30		DFEDHN
CCC(C)(C)N[C@H](C)C(=O)Nc1ncccc1OCCCC#N	ZINC000274855437	334067122	/nfs/dbraw/zinc/06/71/22/334067122.db2.gz	IQMNOQQHQUYZIM-CYBMUJFWSA-N	0	3	318.421	2.869	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1	ZINC000343532129	335175564	/nfs/dbraw/zinc/17/55/64/335175564.db2.gz	ORRXYALPANIZFC-SFHVURJKSA-N	0	3	311.429	2.587	20	30		DFEDHN
CN(C)C1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCC1	ZINC000275522415	334071896	/nfs/dbraw/zinc/07/18/96/334071896.db2.gz	VPXZGZIOSKCJGZ-MRXNPFEDSA-N	0	3	314.433	2.815	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(CC#N)cc2)C1	ZINC000343534309	335175862	/nfs/dbraw/zinc/17/58/62/335175862.db2.gz	ITSYERAORLPQHD-INIZCTEOSA-N	0	3	300.402	2.916	20	30		DFEDHN
N#CCc1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)cc1	ZINC000414761516	334087392	/nfs/dbraw/zinc/08/73/92/334087392.db2.gz	UAIVJHQMBXTSNG-GOSISDBHSA-N	0	3	320.396	2.761	20	30		DFEDHN
COc1ccc(CN[C@@H](CO)C(C)(C)C)cc1OCCCC#N	ZINC000278769134	334100871	/nfs/dbraw/zinc/10/08/71/334100871.db2.gz	UJKAMPZMMAEJES-KRWDZBQOSA-N	0	3	320.433	2.874	20	30		DFEDHN
N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(Cl)cc1	ZINC000278766748	334100954	/nfs/dbraw/zinc/10/09/54/334100954.db2.gz	NZBVYDLKQHMNPJ-INIZCTEOSA-N	0	3	317.820	2.895	20	30		DFEDHN
CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1	ZINC000279100819	334105659	/nfs/dbraw/zinc/10/56/59/334105659.db2.gz	OGTLJPSKXWHKMM-ZDUSSCGKSA-N	0	3	324.384	2.793	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280038902	334113898	/nfs/dbraw/zinc/11/38/98/334113898.db2.gz	GOXLFZPHFFKEEG-PBHICJAKSA-N	0	3	311.429	2.796	20	30		DFEDHN
CC1CCN(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000280407330	334117240	/nfs/dbraw/zinc/11/72/40/334117240.db2.gz	VZCZDFBJPGVKMW-UHFFFAOYSA-N	0	3	313.445	2.949	20	30		DFEDHN
CN(Cc1ccc(OCC#N)cc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000280574117	334118374	/nfs/dbraw/zinc/11/83/74/334118374.db2.gz	SEUYJMVDUNRZBV-SFHVURJKSA-N	0	3	323.396	2.637	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000281213179	334124022	/nfs/dbraw/zinc/12/40/22/334124022.db2.gz	NVVYJGUOWZBRKR-UHFFFAOYSA-N	0	3	301.434	2.900	20	30		DFEDHN
C=CCC(CC=C)C(=O)NCC(C)(C)N1CCC(OC)CC1	ZINC000343613565	335177394	/nfs/dbraw/zinc/17/73/94/335177394.db2.gz	NKNFUXGCQROUPB-UHFFFAOYSA-N	0	3	308.466	2.760	20	30		DFEDHN
CC(C)(C#N)CCCCN[C@]1(CO)CCOc2ccccc21	ZINC000281810543	334128571	/nfs/dbraw/zinc/12/85/71/334128571.db2.gz	VZVOHKPWTWZLTH-SFHVURJKSA-N	0	3	302.418	2.966	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H](CO)c2ccc(Br)cc2)C1	ZINC000282171715	334132131	/nfs/dbraw/zinc/13/21/31/334132131.db2.gz	FBNFNQNUIUVBEO-LERXQTSPSA-N	0	3	309.207	2.764	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)cc1	ZINC000283716685	334141177	/nfs/dbraw/zinc/14/11/77/334141177.db2.gz	UQIIXNPURAZBJX-OAHLLOKOSA-N	0	3	322.840	2.936	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425866744	334141556	/nfs/dbraw/zinc/14/15/56/334141556.db2.gz	QMVQDQXOWZMDIH-DZGCQCFKSA-N	0	3	320.462	2.514	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000285625362	334148942	/nfs/dbraw/zinc/14/89/42/334148942.db2.gz	CRQOJEZSIXAESG-MAUKXSAKSA-N	0	3	323.440	2.941	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000285625358	334148963	/nfs/dbraw/zinc/14/89/63/334148963.db2.gz	CRQOJEZSIXAESG-CRAIPNDOSA-N	0	3	323.440	2.941	20	30		DFEDHN
CC[C@](C)(C#N)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	ZINC000285811209	334150131	/nfs/dbraw/zinc/15/01/31/334150131.db2.gz	QPHDXUUEGFQDKU-RDTXWAMCSA-N	0	3	314.433	2.663	20	30		DFEDHN
CCOC1CC(CN2CCN([C@H](C#N)c3ccccc3)CC2)C1	ZINC000285821172	334150355	/nfs/dbraw/zinc/15/03/55/334150355.db2.gz	ZTWSATVRYGYIMH-NKELODKYSA-N	0	3	313.445	2.684	20	30		DFEDHN
CC[C@](C)(C#N)c1nc(-c2ccccc2OCCN(C)C)no1	ZINC000289010826	334162924	/nfs/dbraw/zinc/16/29/24/334162924.db2.gz	KJKVJTQFUADFRE-QGZVFWFLSA-N	0	3	314.389	2.868	20	30		DFEDHN
Cc1cccnc1OC1CCN(CCCSCC#N)CC1	ZINC000289457626	334165461	/nfs/dbraw/zinc/16/54/61/334165461.db2.gz	VMABZJRHXVGIQU-UHFFFAOYSA-N	0	3	305.447	2.880	20	30		DFEDHN
CCc1ccc([C@H](C#N)NC(=O)C2CCN(C3CC3)CC2)cc1	ZINC000290111173	334171121	/nfs/dbraw/zinc/17/11/21/334171121.db2.gz	FOVBZKDOBCKIAJ-SFHVURJKSA-N	0	3	311.429	2.804	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000343595734	335180398	/nfs/dbraw/zinc/18/03/98/335180398.db2.gz	GTXCLRRCYQIQJB-ROUUACIJSA-N	0	3	313.445	2.750	20	30		DFEDHN
COCC1(CO/N=C/c2ccc(N3CCOCC3)cc2)CCC1	ZINC000291980342	334183720	/nfs/dbraw/zinc/18/37/20/334183720.db2.gz	SYXJBUYXHLKJOZ-CPNJWEJPSA-N	0	3	318.417	2.690	20	30		DFEDHN
CN(CCC#N)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C1CC1	ZINC000520996706	334186356	/nfs/dbraw/zinc/18/63/56/334186356.db2.gz	PCEZYEXTCXAKHT-IRXDYDNUSA-N	0	3	321.852	2.587	20	30		DFEDHN
CN(CCC#N)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)C1CC1	ZINC000520996707	334186426	/nfs/dbraw/zinc/18/64/26/334186426.db2.gz	PCEZYEXTCXAKHT-SJORKVTESA-N	0	3	321.852	2.587	20	30		DFEDHN
CC(C)(CCC#N)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1	ZINC000340391531	334187164	/nfs/dbraw/zinc/18/71/64/334187164.db2.gz	KPIVDVUJAFVWGP-CQSZACIVSA-N	0	3	301.369	2.953	20	30		DFEDHN
Cc1ccccc1C(C)(C)NCC(=O)N[C@](C)(C#N)C(C)C	ZINC000292958962	334194607	/nfs/dbraw/zinc/19/46/07/334194607.db2.gz	JJIPCKYOAWMIQG-GOSISDBHSA-N	0	3	301.434	2.874	20	30		DFEDHN
COc1ccc(CNC[C@H](OC)C2CC2)cc1OCCCC#N	ZINC000292951887	334194619	/nfs/dbraw/zinc/19/46/19/334194619.db2.gz	ITOZUURRHWKXMX-SFHVURJKSA-N	0	3	318.417	2.892	20	30		DFEDHN
COc1ccc([C@@H]2CCCN2CCOCCC#N)cc1OC	ZINC000293546591	334199006	/nfs/dbraw/zinc/19/90/06/334199006.db2.gz	QTUNLWKMCHXOSL-HNNXBMFYSA-N	0	3	304.390	2.771	20	30		DFEDHN
Cc1ccc2[nH]c([C@@H]3CCCN(CCOCCC#N)C3)nc2c1	ZINC000293931253	334203465	/nfs/dbraw/zinc/20/34/65/334203465.db2.gz	YVUQKZFUDFZFBG-OAHLLOKOSA-N	0	3	312.417	2.981	20	30		DFEDHN
Cc1ccc2nc([C@@H]3CCCN(CCOCCC#N)C3)[nH]c2c1	ZINC000293931253	334203466	/nfs/dbraw/zinc/20/34/66/334203466.db2.gz	YVUQKZFUDFZFBG-OAHLLOKOSA-N	0	3	312.417	2.981	20	30		DFEDHN
CSc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1	ZINC000294343577	334208458	/nfs/dbraw/zinc/20/84/58/334208458.db2.gz	JUSYUUNBCNAHRH-AWEZNQCLSA-N	0	3	305.447	2.677	20	30		DFEDHN
CN(c1ccccc1CN1CC(C)(C#N)C1)C1CCN(C)CC1	ZINC000297311206	334240517	/nfs/dbraw/zinc/24/05/17/334240517.db2.gz	BVGUAEKEEWNBCG-UHFFFAOYSA-N	0	3	312.461	2.562	20	30		DFEDHN
C[C@H](C#N)N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000297693726	334243191	/nfs/dbraw/zinc/24/31/91/334243191.db2.gz	DLILYXAFYLWEEL-UKRRQHHQSA-N	0	3	321.371	2.514	20	30		DFEDHN
C[C@](O)(CNCc1cccc(OCCCC#N)c1)C(F)(F)F	ZINC000340595947	334247300	/nfs/dbraw/zinc/24/73/00/334247300.db2.gz	LSVSVACSAXKAPT-AWEZNQCLSA-N	0	3	316.323	2.772	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCCOCC	ZINC000340666925	334286676	/nfs/dbraw/zinc/28/66/76/334286676.db2.gz	XEFLLWVTXYMCKF-UHFFFAOYSA-N	0	3	324.494	2.621	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1	ZINC000042220685	334333215	/nfs/dbraw/zinc/33/32/15/334333215.db2.gz	ZFOYRZODCHLPFY-WDEREUQCSA-N	0	3	311.223	2.790	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000121157908	334341010	/nfs/dbraw/zinc/34/10/10/334341010.db2.gz	NFYZQBCVDLCGFO-GDBMZVCRSA-N	0	3	302.418	2.913	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN[C@@]1(C)CCCc2ccccc21	ZINC000341685715	334470213	/nfs/dbraw/zinc/47/02/13/334470213.db2.gz	ACQOVHHOLUQIAH-BEFAXECRSA-N	0	3	313.445	2.836	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)NC1CCN(CCOC(C)C)CC1	ZINC000341965885	334498097	/nfs/dbraw/zinc/49/80/97/334498097.db2.gz	XJELKXDFTITPPN-OAHLLOKOSA-N	0	3	311.470	2.530	20	30		DFEDHN
COCC1(C#N)CCN(Cc2ccc(-n3cccn3)cc2)CC1	ZINC000341994221	334498985	/nfs/dbraw/zinc/49/89/85/334498985.db2.gz	SENNZVNHSBIPQR-UHFFFAOYSA-N	0	3	310.401	2.624	20	30		DFEDHN
CC#CCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1	ZINC000342801029	334573166	/nfs/dbraw/zinc/57/31/66/334573166.db2.gz	VRDLZSOCUWNMPQ-SFHVURJKSA-N	0	3	313.445	2.782	20	30		DFEDHN
N#C[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1Cl	ZINC000415384653	334612246	/nfs/dbraw/zinc/61/22/46/334612246.db2.gz	VBCHJUAZPQOBQC-AWEZNQCLSA-N	0	3	303.793	2.649	20	30		DFEDHN
CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1	ZINC000328994936	334771883	/nfs/dbraw/zinc/77/18/83/334771883.db2.gz	GIJKSNJHAOKCCW-MRXNPFEDSA-N	0	3	321.465	2.608	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)nc(OC)c2)CC1	ZINC000330384674	334776659	/nfs/dbraw/zinc/77/66/59/334776659.db2.gz	RMLPCICNYFQZMY-UHFFFAOYSA-N	0	3	303.406	2.744	20	30		DFEDHN
CCN1CCC(NC(=O)N[C@H](C)Cc2cccc(OC)c2)CC1	ZINC000330708116	334805207	/nfs/dbraw/zinc/80/52/07/334805207.db2.gz	NETCIXXNCZOICY-CQSZACIVSA-N	0	3	319.449	2.614	20	30		DFEDHN
Cc1cc(Cl)cc(C(=O)N[C@@H](CO)CN2CCCCC2)c1	ZINC000331359638	334858489	/nfs/dbraw/zinc/85/84/89/334858489.db2.gz	WUELALLSQGHKCD-OAHLLOKOSA-N	0	3	310.825	2.800	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1	ZINC000343751777	335190580	/nfs/dbraw/zinc/19/05/80/335190580.db2.gz	RXUMSOUEROTGMH-DLBZAZTESA-N	0	3	308.466	2.692	20	30		DFEDHN
Cc1noc([C@@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)n1	ZINC000344011268	335212445	/nfs/dbraw/zinc/21/24/45/335212445.db2.gz	ITFWSHIOVBDKRZ-HOTGVXAUSA-N	0	3	324.384	2.814	20	30		DFEDHN
Cc1noc([C@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)n1	ZINC000344011269	335212608	/nfs/dbraw/zinc/21/26/08/335212608.db2.gz	ITFWSHIOVBDKRZ-HZPDHXFCSA-N	0	3	324.384	2.814	20	30		DFEDHN
COC[C@H]1C[C@H](OC)CN1Cc1ccccc1C(C)(C)C#N	ZINC000344361560	335244460	/nfs/dbraw/zinc/24/44/60/335244460.db2.gz	HFNDHQZHWHJFDZ-CVEARBPZSA-N	0	3	302.418	2.723	20	30		DFEDHN
C[C@H](CC[S@@](C)=O)NCc1cccc(OCCCC#N)c1	ZINC000344818834	335280975	/nfs/dbraw/zinc/28/09/75/335280975.db2.gz	FBAQFYSDUMWISF-SPLOXXLWSA-N	0	3	308.447	2.616	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000345741815	335347285	/nfs/dbraw/zinc/34/72/85/335347285.db2.gz	INLBLQNONCBLBB-RDJZCZTQSA-N	0	3	301.434	2.867	20	30		DFEDHN
C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)N(C)C	ZINC000345855378	335355788	/nfs/dbraw/zinc/35/57/88/335355788.db2.gz	ZXMZMWUOMJUTBC-AWEZNQCLSA-N	0	3	312.417	2.625	20	30		DFEDHN
Cc1nc(CCNC(=O)C(C#N)CCc2ccccc2)cs1	ZINC000346022738	335366172	/nfs/dbraw/zinc/36/61/72/335366172.db2.gz	UCBAVZBPEIGTHV-OAHLLOKOSA-N	0	3	313.426	2.883	20	30		DFEDHN
COc1cc([C@@H](C)NCCC(C)(C)C#N)ccc1OCCO	ZINC000345985047	335367634	/nfs/dbraw/zinc/36/76/34/335367634.db2.gz	XOJYGLOEDRFWCX-CYBMUJFWSA-N	0	3	306.406	2.657	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C	ZINC000346070873	335372436	/nfs/dbraw/zinc/37/24/36/335372436.db2.gz	RFZOUVRKXBHQJO-DLBZAZTESA-N	0	3	303.450	2.813	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000346070433	335372510	/nfs/dbraw/zinc/37/25/10/335372510.db2.gz	KEGQLTWLPBTJBG-BRWVUGGUSA-N	0	3	308.466	2.958	20	30		DFEDHN
C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H](C)C1	ZINC000346167575	335384659	/nfs/dbraw/zinc/38/46/59/335384659.db2.gz	GDNUOJDEDSBBTH-HDMKZQKVSA-N	0	3	311.429	2.555	20	30		DFEDHN
C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000346285868	335392416	/nfs/dbraw/zinc/39/24/16/335392416.db2.gz	QBOSEGDMJRGQAV-IEBWSBKVSA-N	0	3	316.445	2.575	20	30		DFEDHN
CC(C)CCO[C@@H]1CCCC[C@@H]1NCC(=O)NC1(C#N)CCC1	ZINC000347084225	335469441	/nfs/dbraw/zinc/46/94/41/335469441.db2.gz	KWPCBPZRDRRBCE-JKSUJKDBSA-N	0	3	321.465	2.512	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1ccon1)C(C)C	ZINC000347789845	335525409	/nfs/dbraw/zinc/52/54/09/335525409.db2.gz	DQBSWLVFSPOZHA-GDBMZVCRSA-N	0	3	320.437	2.733	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nc(C)n1)C(C)C	ZINC000347848665	335528472	/nfs/dbraw/zinc/52/84/72/335528472.db2.gz	MCXUAJPUYBFGOP-KRWDZBQOSA-N	0	3	316.449	2.522	20	30		DFEDHN
C=CCOc1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1	ZINC000349041604	335630085	/nfs/dbraw/zinc/63/00/85/335630085.db2.gz	VLLPTFAZFUBILH-LJQANCHMSA-N	0	3	318.461	2.794	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc2c1OCO2	ZINC000329229292	335953285	/nfs/dbraw/zinc/95/32/85/335953285.db2.gz	CMIIMLKGLGZNDA-OLZOCXBDSA-N	0	3	317.389	2.519	20	30		DFEDHN
C=CCN(CCc1ccnn1C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000367115133	336005513	/nfs/dbraw/zinc/00/55/13/336005513.db2.gz	RPUZWOACXBZRCQ-HXUWFJFHSA-N	0	3	324.472	2.725	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC[C@@H](c2ccccc2)C1	ZINC000329622188	336014856	/nfs/dbraw/zinc/01/48/56/336014856.db2.gz	RSFAVJNYNYNKLA-HUUCEWRRSA-N	0	3	310.401	2.671	20	30		DFEDHN
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC[C@@H](c2ccccc2)C1	ZINC000329622188	336014858	/nfs/dbraw/zinc/01/48/58/336014858.db2.gz	RSFAVJNYNYNKLA-HUUCEWRRSA-N	0	3	310.401	2.671	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000329670172	336036885	/nfs/dbraw/zinc/03/68/85/336036885.db2.gz	STZOWPGETNHLON-FMIBNLNISA-N	0	3	308.466	2.859	20	30		DFEDHN
C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CCC#N	ZINC000351807546	336069294	/nfs/dbraw/zinc/06/92/94/336069294.db2.gz	JYRGWGSOUMHASU-HUUCEWRRSA-N	0	3	308.470	2.736	20	30		DFEDHN
C=C(C)CCN1CCN(c2ccc(Br)cn2)CC1	ZINC000351844136	336072762	/nfs/dbraw/zinc/07/27/62/336072762.db2.gz	JIKJLHSXZGZOLB-UHFFFAOYSA-N	0	3	310.239	2.932	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000329820628	336086093	/nfs/dbraw/zinc/08/60/93/336086093.db2.gz	YHYIUHYTWWLHLK-JRPNMDOOSA-N	0	3	304.438	2.580	20	30		DFEDHN
CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000329869770	336090828	/nfs/dbraw/zinc/09/08/28/336090828.db2.gz	ZJAHJOZZKYTEBB-CABCVRRESA-N	0	3	323.481	2.854	20	30		DFEDHN
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000329882946	336092088	/nfs/dbraw/zinc/09/20/88/336092088.db2.gz	QMHFFXGJDHPGMJ-DLBZAZTESA-N	0	3	321.465	2.608	20	30		DFEDHN
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1	ZINC000329902392	336093766	/nfs/dbraw/zinc/09/37/66/336093766.db2.gz	HOUYWKBOVUWYBV-HZPDHXFCSA-N	0	3	323.481	2.997	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1CC12CCCCC2	ZINC000329948042	336098495	/nfs/dbraw/zinc/09/84/95/336098495.db2.gz	KIYRQXSKMGKUPZ-KBPBESRZSA-N	0	3	302.422	2.672	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1coc(C2CCOCC2)n1	ZINC000329951137	336098856	/nfs/dbraw/zinc/09/88/56/336098856.db2.gz	ICRBCOGDQIESCT-CYBMUJFWSA-N	0	3	321.421	2.748	20	30		DFEDHN
CCn1nccc1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1	ZINC000329966003	336100851	/nfs/dbraw/zinc/10/08/51/336100851.db2.gz	VISCKNCJCNIZMC-ZBFHGGJFSA-N	0	3	313.405	2.674	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CO[C@H](C)C2)CC1	ZINC000329977132	336101895	/nfs/dbraw/zinc/10/18/95/336101895.db2.gz	ZHMYECLRDWLGBW-FMKPAKJESA-N	0	3	317.433	2.989	20	30		DFEDHN
C[C@@H]1C[C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)CO1	ZINC000329999812	336104388	/nfs/dbraw/zinc/10/43/88/336104388.db2.gz	VJPYESZVKIBLNI-UKRRQHHQSA-N	0	3	303.406	2.680	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)Cn2cc3ccccc3n2)C1	ZINC000330109449	336114041	/nfs/dbraw/zinc/11/40/41/336114041.db2.gz	PEALIPZCCUCFMJ-AWEZNQCLSA-N	0	3	300.406	2.725	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CCN1C	ZINC000330110120	336114374	/nfs/dbraw/zinc/11/43/74/336114374.db2.gz	QEFHOZNYXMMZCJ-OAGGEKHMSA-N	0	3	323.481	2.855	20	30		DFEDHN
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000330139568	336117139	/nfs/dbraw/zinc/11/71/39/336117139.db2.gz	OXIPZDXPIYUUQT-BARDWOONSA-N	0	3	319.453	2.908	20	30		DFEDHN
CC1(C)CCC(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1	ZINC000330189559	336122348	/nfs/dbraw/zinc/12/23/48/336122348.db2.gz	LWEVXEXGYJPWRD-CQSZACIVSA-N	0	3	304.438	2.918	20	30		DFEDHN
CCC1CCC(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1	ZINC000330199583	336123518	/nfs/dbraw/zinc/12/35/18/336123518.db2.gz	VPRRMWHIRKRFGD-NRXISQOPSA-N	0	3	304.438	2.918	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)NC1(C#N)CCCCC1	ZINC000330205022	336124071	/nfs/dbraw/zinc/12/40/71/336124071.db2.gz	CCJPUBRFDLBDMA-CFVMTHIKSA-N	0	3	305.422	2.715	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@H]1CCn2ccnc2C1)N1CCCCC1	ZINC000330267610	336131657	/nfs/dbraw/zinc/13/16/57/336131657.db2.gz	ANWCTVJYLFZGPL-GOEBONIOSA-N	0	3	304.438	2.665	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1	ZINC000331587387	336141236	/nfs/dbraw/zinc/14/12/36/336141236.db2.gz	PLGPEHMQKZVVON-LLVKDONJSA-N	0	3	303.431	2.888	20	30		DFEDHN
CS[C@@H]1CCCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000331897290	336151905	/nfs/dbraw/zinc/15/19/05/336151905.db2.gz	DUMQSOMYYYKIJQ-LZWOXQAQSA-N	0	3	311.495	2.647	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1	ZINC000332321194	336168459	/nfs/dbraw/zinc/16/84/59/336168459.db2.gz	QJTAJFBTJYUNSV-CXAGYDPISA-N	0	3	315.392	2.712	20	30		DFEDHN
N#CC1CCC(CNC(=O)N2CCN(C3CCCC3)CC2)CC1	ZINC000333026375	336196865	/nfs/dbraw/zinc/19/68/65/336196865.db2.gz	BFEYVPNQAXQHML-UHFFFAOYSA-N	0	3	318.465	2.586	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2CN2CCCCC2)C1	ZINC000334088654	336217883	/nfs/dbraw/zinc/21/78/83/336217883.db2.gz	NAKOHBHGGDPMMZ-YESZJQIVSA-N	0	3	318.465	2.729	20	30		DFEDHN
C=C[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000352446498	336219385	/nfs/dbraw/zinc/21/93/85/336219385.db2.gz	FHUUUWTXHFRCRZ-LLVKDONJSA-N	0	3	304.371	2.960	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCSC1)C(C)C	ZINC000352607293	336226644	/nfs/dbraw/zinc/22/66/44/336226644.db2.gz	RODHFLLWBWNCRY-HZPDHXFCSA-N	0	3	310.507	2.944	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(C)s1)C(C)C	ZINC000043407635	336255309	/nfs/dbraw/zinc/25/53/09/336255309.db2.gz	VHTTVLPTMMUTLG-CYBMUJFWSA-N	0	3	323.466	2.667	20	30		DFEDHN
C=C(C)COCCN[C@@H]1CCN(C(C)=O)Cc2ccccc21	ZINC000352848916	336278527	/nfs/dbraw/zinc/27/85/27/336278527.db2.gz	MJWOKIFZEVXOPC-GOSISDBHSA-N	0	3	302.418	2.662	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCCC2)C1	ZINC000527047541	336280873	/nfs/dbraw/zinc/28/08/73/336280873.db2.gz	MMWLKLBZVDQJHF-OAHLLOKOSA-N	0	3	303.450	2.984	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCCC2)C1	ZINC000527047540	336280961	/nfs/dbraw/zinc/28/09/61/336280961.db2.gz	MMWLKLBZVDQJHF-HNNXBMFYSA-N	0	3	303.450	2.984	20	30		DFEDHN
CN(C)CCc1ccccc1NC(=O)N1CCC(CC#N)CC1	ZINC000527087356	336283609	/nfs/dbraw/zinc/28/36/09/336283609.db2.gz	FXUQNMXMFTXGDZ-UHFFFAOYSA-N	0	3	314.433	2.948	20	30		DFEDHN
C=CCN1CCC(Nc2ncnc3cc(F)c(OC)cc32)CC1	ZINC000302605768	336362486	/nfs/dbraw/zinc/36/24/86/336362486.db2.gz	ZUICBKKDRRIAHJ-UHFFFAOYSA-N	0	3	316.380	2.840	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[C@H]32)c(OC)c1	ZINC000353054139	336391738	/nfs/dbraw/zinc/39/17/38/336391738.db2.gz	WKDSTRXYLJNKMQ-BRWVUGGUSA-N	0	3	317.429	2.648	20	30		DFEDHN
C=C(C)CN1CCC(NCc2c(CC)nn(C)c2Cl)CC1	ZINC000116339873	336402339	/nfs/dbraw/zinc/40/23/39/336402339.db2.gz	YJSRBXODDLMOMQ-UHFFFAOYSA-N	0	3	310.873	2.766	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](c2ccncc2)C(C)C)CC1	ZINC000353324943	336411919	/nfs/dbraw/zinc/41/19/19/336411919.db2.gz	HZKIITLCQSMDJC-GOSISDBHSA-N	0	3	315.461	2.978	20	30		DFEDHN
C=C[C@H](CO)N[C@H](C)Cc1ccc(Br)c(F)c1	ZINC000353580867	336426645	/nfs/dbraw/zinc/42/66/45/336426645.db2.gz	YGCUIXYWCRONGZ-MWLCHTKSSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1=O	ZINC000367156056	336428038	/nfs/dbraw/zinc/42/80/38/336428038.db2.gz	IYIHVHGFVLRBHU-IKGGRYGDSA-N	0	3	302.393	2.838	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H]2CCC[C@H]2c2ccc(F)cc2)C1=O	ZINC000367156057	336428081	/nfs/dbraw/zinc/42/80/81/336428081.db2.gz	IYIHVHGFVLRBHU-ULQDDVLXSA-N	0	3	302.393	2.838	20	30		DFEDHN
C=C(C)COCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000354332611	336467145	/nfs/dbraw/zinc/46/71/45/336467145.db2.gz	AQMXZDDSFCDECH-RDJZCZTQSA-N	0	3	319.449	2.570	20	30		DFEDHN
C=CCOc1cccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c1	ZINC000354707311	336479287	/nfs/dbraw/zinc/47/92/87/336479287.db2.gz	CJQPBIMAPVYIAB-MOPGFXCFSA-N	0	3	317.429	2.661	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccco1	ZINC000355089945	336494316	/nfs/dbraw/zinc/49/43/16/336494316.db2.gz	JZBUPTZMBDURCJ-LJISPDSOSA-N	0	3	318.421	2.700	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)NCC1(CC#N)CC1	ZINC000355831212	336523982	/nfs/dbraw/zinc/52/39/82/336523982.db2.gz	CXYRKECGFNQSMS-UHFFFAOYSA-N	0	3	306.454	2.588	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1coc(CC)n1)C(C)C	ZINC000356223672	336541699	/nfs/dbraw/zinc/54/16/99/336541699.db2.gz	OGNUJNQHPPWGIX-OAHLLOKOSA-N	0	3	305.422	2.665	20	30		DFEDHN
C=CCN(CCOC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000357278840	336579118	/nfs/dbraw/zinc/57/91/18/336579118.db2.gz	FBHKSORLQCHNPF-WBVHZDCISA-N	0	3	319.449	2.522	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccccc2F)CC1	ZINC000357583123	336591441	/nfs/dbraw/zinc/59/14/41/336591441.db2.gz	QOWJBDRDNBTHDO-AWEZNQCLSA-N	0	3	320.408	2.750	20	30		DFEDHN
C=CCN1CCC(NC(=O)CSc2ccc(F)cc2)CC1	ZINC000357584498	336591450	/nfs/dbraw/zinc/59/14/50/336591450.db2.gz	VBIZWJCHQQYHQD-UHFFFAOYSA-N	0	3	308.422	2.684	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OCC)C1(CC)CC	ZINC000360947530	336729015	/nfs/dbraw/zinc/72/90/15/336729015.db2.gz	NUZSEUQUJGBIEV-CVEARBPZSA-N	0	3	310.482	2.984	20	30		DFEDHN
C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc2ncsc2c1	ZINC000362560139	336803989	/nfs/dbraw/zinc/80/39/89/336803989.db2.gz	MPEPECZVHIEDHC-NEPJUHHUSA-N	0	3	316.430	2.707	20	30		DFEDHN
CN1CCC(CC(=O)N[C@H](C#N)c2ccccc2Cl)CC1	ZINC000362764194	336811077	/nfs/dbraw/zinc/81/10/77/336811077.db2.gz	ZUJBHMDIJIKBRN-OAHLLOKOSA-N	0	3	305.809	2.753	20	30		DFEDHN
C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](C)CN1	ZINC000418206762	336905321	/nfs/dbraw/zinc/90/53/21/336905321.db2.gz	ASPGZDUUQYMTPN-VYDXJSESSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=CCC[C@@H](O)CN1CC[C@@H](c2cc(OC)cc(OC)c2)C1	ZINC000305107177	337013641	/nfs/dbraw/zinc/01/36/41/337013641.db2.gz	ZQPUIYNNFFKWPA-GDBMZVCRSA-N	0	3	305.418	2.820	20	30		DFEDHN
CCOC(=O)C1(C)CCN(CCCC2(C#N)CCOCC2)CC1	ZINC000375618724	337014948	/nfs/dbraw/zinc/01/49/48/337014948.db2.gz	AQHIGVXPZRLOCY-UHFFFAOYSA-N	0	3	322.449	2.752	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000375705529	337017287	/nfs/dbraw/zinc/01/72/87/337017287.db2.gz	PJIQEDGWMJNVHY-HNNXBMFYSA-N	0	3	324.465	2.789	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1	ZINC000375721746	337017713	/nfs/dbraw/zinc/01/77/13/337017713.db2.gz	WUWNHQYDEMXQMR-UKPHBRMFSA-N	0	3	315.392	2.993	20	30		DFEDHN
C=CCC[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1ccco1	ZINC000375847475	337021286	/nfs/dbraw/zinc/02/12/86/337021286.db2.gz	BGSIUBGXBUQVAR-HUUCEWRRSA-N	0	3	300.406	2.889	20	30		DFEDHN
C=CCOCCCC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1	ZINC000376520159	337035814	/nfs/dbraw/zinc/03/58/14/337035814.db2.gz	WPAYWKQEGKUCPR-RHSMWYFYSA-N	0	3	322.474	2.840	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000376745935	337040326	/nfs/dbraw/zinc/04/03/26/337040326.db2.gz	KOFWXJXJVGEXMX-LJQANCHMSA-N	0	3	322.452	2.678	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@H]2CN1CCCC1(C#N)CCOCC1	ZINC000377115928	337047080	/nfs/dbraw/zinc/04/70/80/337047080.db2.gz	UMHAEEQBDOMNMH-SJORKVTESA-N	0	3	305.466	2.646	20	30		DFEDHN
C=C(C)CN1CCC([C@H]2CCCCCN2C(=O)COC)CC1	ZINC000377596204	337055885	/nfs/dbraw/zinc/05/58/85/337055885.db2.gz	WTEKKRGTKXDFLF-QGZVFWFLSA-N	0	3	308.466	2.692	20	30		DFEDHN
CN1CC[C@H](CNC(=O)C#Cc2ccccc2)[C@@H]1c1cccs1	ZINC000377960026	337064468	/nfs/dbraw/zinc/06/44/68/337064468.db2.gz	MXUDPAOHCWFNJW-VQIMIIECSA-N	0	3	324.449	2.909	20	30		DFEDHN
CC(C)[C@]1(CO)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000378128190	337066831	/nfs/dbraw/zinc/06/68/31/337066831.db2.gz	JJGUYELUOWNVAY-MAUKXSAKSA-N	0	3	302.418	2.818	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CCSC[C@@H]1c1cccs1	ZINC000378417001	337072323	/nfs/dbraw/zinc/07/23/23/337072323.db2.gz	UQZJYRSBWZCMTL-CYBMUJFWSA-N	0	3	323.487	2.600	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1	ZINC000360056928	337084472	/nfs/dbraw/zinc/08/44/72/337084472.db2.gz	ITAFDEQQDSHHJK-WMLDXEAASA-N	0	3	316.401	2.753	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1	ZINC000171695498	337088392	/nfs/dbraw/zinc/08/83/92/337088392.db2.gz	RUIXZOABOIWTDX-MRXNPFEDSA-N	0	3	315.461	2.957	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)CCc2ccccc2)CC1	ZINC000171739860	337089027	/nfs/dbraw/zinc/08/90/27/337089027.db2.gz	PCKMZFIWINOJNU-UHFFFAOYSA-N	0	3	301.434	2.521	20	30		DFEDHN
C#CCCOc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1	ZINC000172068341	337089576	/nfs/dbraw/zinc/08/95/76/337089576.db2.gz	ZOWWPBOOKBHHMB-VQTJNVASSA-N	0	3	307.393	2.837	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc(C)c(OCC)c2)CC1	ZINC000172020268	337090917	/nfs/dbraw/zinc/09/09/17/337090917.db2.gz	NXXLUYOCOOWIOI-UHFFFAOYSA-N	0	3	302.418	2.774	20	30		DFEDHN
Cc1ccc2nc(CN3CCC(CCC#N)CC3)cc(=O)n2c1	ZINC000582664426	337117739	/nfs/dbraw/zinc/11/77/39/337117739.db2.gz	AOWMLQUIGFEBPZ-UHFFFAOYSA-N	0	3	310.401	2.519	20	30		DFEDHN
COCC1(NCc2cccc(OCCCC#N)c2)CCOCC1	ZINC000582681825	337122663	/nfs/dbraw/zinc/12/26/63/337122663.db2.gz	JFOBPYAKVPTHRQ-UHFFFAOYSA-N	0	3	318.417	2.654	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H](CC)c2nccs2)CC1	ZINC000172384178	337128617	/nfs/dbraw/zinc/12/86/17/337128617.db2.gz	ZJMHCUKIHIMSLN-CYBMUJFWSA-N	0	3	308.451	2.544	20	30		DFEDHN
CC(C)(C#N)CCCN1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000174864043	337145114	/nfs/dbraw/zinc/14/51/14/337145114.db2.gz	OHSBUXGNCKZLGY-AWEZNQCLSA-N	0	3	301.438	2.734	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000177517436	337156564	/nfs/dbraw/zinc/15/65/64/337156564.db2.gz	QWTDESWCDFDHID-OAGGEKHMSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCSCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000181302006	337181042	/nfs/dbraw/zinc/18/10/42/337181042.db2.gz	SXYVQUCVCATGSF-HNNXBMFYSA-N	0	3	321.490	2.725	20	30		DFEDHN
Cc1cc(C)cc([C@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)c1	ZINC000183489002	337191947	/nfs/dbraw/zinc/19/19/47/337191947.db2.gz	FBSFXIFREUIPKX-IRXDYDNUSA-N	0	3	313.445	2.853	20	30		DFEDHN
CC1(CO)CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000184075234	337196053	/nfs/dbraw/zinc/19/60/53/337196053.db2.gz	IVRBHXPRVGPHRU-UHFFFAOYSA-N	0	3	302.418	2.964	20	30		DFEDHN
N#CCCC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000583021442	337225913	/nfs/dbraw/zinc/22/59/13/337225913.db2.gz	FZPWHPXRBYEDRQ-INIZCTEOSA-N	0	3	306.381	2.581	20	30		DFEDHN
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCCC#N	ZINC000186291812	337255658	/nfs/dbraw/zinc/25/56/58/337255658.db2.gz	CDAOLTAUVWQDSG-CQSZACIVSA-N	0	3	321.446	2.523	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000188854056	337275742	/nfs/dbraw/zinc/27/57/42/337275742.db2.gz	XBYUXRUQSCIHQT-FAFZWHIHSA-N	0	3	322.493	2.938	20	30		DFEDHN
CCc1nc(C2CCN(CC#Cc3ccc(F)cc3)CC2)n[nH]1	ZINC000190668639	337289483	/nfs/dbraw/zinc/28/94/83/337289483.db2.gz	PHFRCSYHQVNDAK-UHFFFAOYSA-N	0	3	312.392	2.737	20	30		DFEDHN
CCc1n[nH]c(C2CCN(CC#Cc3ccc(F)cc3)CC2)n1	ZINC000190668639	337289484	/nfs/dbraw/zinc/28/94/84/337289484.db2.gz	PHFRCSYHQVNDAK-UHFFFAOYSA-N	0	3	312.392	2.737	20	30		DFEDHN
CCc1nnc(C2CCN(CC#Cc3ccc(F)cc3)CC2)[nH]1	ZINC000190668639	337289485	/nfs/dbraw/zinc/28/94/85/337289485.db2.gz	PHFRCSYHQVNDAK-UHFFFAOYSA-N	0	3	312.392	2.737	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1	ZINC000191091991	337293921	/nfs/dbraw/zinc/29/39/21/337293921.db2.gz	JDSCFZZKJUIWGO-HNNXBMFYSA-N	0	3	317.351	2.743	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C	ZINC000191697627	337300583	/nfs/dbraw/zinc/30/05/83/337300583.db2.gz	HNSVWHOZFTXGKH-ZACQAIPSSA-N	0	3	308.466	2.616	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1cccc(OC)c1	ZINC000191950038	337301317	/nfs/dbraw/zinc/30/13/17/337301317.db2.gz	UVHTXORVPGATFS-UHFFFAOYSA-N	0	3	316.445	2.779	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1	ZINC000583760446	337330725	/nfs/dbraw/zinc/33/07/25/337330725.db2.gz	XKNRUNSUJZXANA-INIZCTEOSA-N	0	3	317.820	2.977	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000418495131	337385594	/nfs/dbraw/zinc/38/55/94/337385594.db2.gz	AOPRRFXGEOAYPY-GUYCJALGSA-N	0	3	310.401	2.641	20	30		DFEDHN
C=CC[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000117034569	337393118	/nfs/dbraw/zinc/39/31/18/337393118.db2.gz	NMGFOSQPFWQMJM-AWEZNQCLSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCC1(NC(=O)N[C@@H]2CNCCC2(F)F)CCCCC1	ZINC000418752828	337395547	/nfs/dbraw/zinc/39/55/47/337395547.db2.gz	ULFSYUHFCFATRR-GFCCVEGCSA-N	0	3	301.381	2.562	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C(C)C	ZINC000425612846	337397324	/nfs/dbraw/zinc/39/73/24/337397324.db2.gz	RMLOXXDWAOFDJM-BBWFWOEESA-N	0	3	318.465	2.676	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1	ZINC000135893949	337453112	/nfs/dbraw/zinc/45/31/12/337453112.db2.gz	OIGWBOYKYOSTTD-FOIQADDNSA-N	0	3	322.408	2.901	20	30		DFEDHN
C=C[C@H](C)NCc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1	ZINC000237060405	337467274	/nfs/dbraw/zinc/46/72/74/337467274.db2.gz	NNLXDQCWZNQDEY-UONOGXRCSA-N	0	3	320.433	2.605	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H](CO)[C@H](O)CCC)cc1Cl	ZINC000419822054	337492592	/nfs/dbraw/zinc/49/25/92/337492592.db2.gz	NRKPNVDUPDQPOO-LSDHHAIUSA-N	0	3	313.825	2.516	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](C3CCCC3)C2)CC1	ZINC000420925542	337516344	/nfs/dbraw/zinc/51/63/44/337516344.db2.gz	YULCMWZILLCWOY-INIZCTEOSA-N	0	3	305.466	2.859	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000248989402	337569144	/nfs/dbraw/zinc/56/91/44/337569144.db2.gz	NALLKWKTZHOOMV-FRRDWIJNSA-N	0	3	319.355	2.742	20	30		DFEDHN
CC(C)Cc1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1	ZINC000076668157	337571562	/nfs/dbraw/zinc/57/15/62/337571562.db2.gz	DCXPOJLWZOOUOI-GOSISDBHSA-N	0	3	301.434	2.812	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cccc(C)c2)CC1	ZINC000078533362	337601631	/nfs/dbraw/zinc/60/16/31/337601631.db2.gz	WHAGZGFMYQHSSP-UHFFFAOYSA-N	0	3	301.434	2.835	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCC#Cc1ccc(F)cc1	ZINC000162615456	337649537	/nfs/dbraw/zinc/64/95/37/337649537.db2.gz	GQQXSGAZAOVDEC-SJORKVTESA-N	0	3	303.377	2.889	20	30		DFEDHN
C#CCN(C(=O)NCc1ccc(CN(C)C)cc1)C1CCCC1	ZINC000162750739	337663183	/nfs/dbraw/zinc/66/31/83/337663183.db2.gz	JRPRFKDIBPNLJM-UHFFFAOYSA-N	0	3	313.445	2.836	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000424059775	337730949	/nfs/dbraw/zinc/73/09/49/337730949.db2.gz	BUKONSCSZZFGPT-LLVKDONJSA-N	0	3	301.268	2.545	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ncc(Cc2ccccc2)s1	ZINC000424066880	337730977	/nfs/dbraw/zinc/73/09/77/337730977.db2.gz	OFQURTIYFBGWDZ-AWEZNQCLSA-N	0	3	314.414	2.694	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	ZINC000424093184	337733161	/nfs/dbraw/zinc/73/31/61/337733161.db2.gz	QWIIAPHXZJZFIX-OLZOCXBDSA-N	0	3	313.323	2.817	20	30		DFEDHN
CC1CCC(OC2CCN(C(=O)[C@H](N)CCCC#N)CC2)CC1	ZINC000424121309	337745712	/nfs/dbraw/zinc/74/57/12/337745712.db2.gz	FULVMXKUEVUOIP-VMBOVVBDSA-N	0	3	321.465	2.594	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2F)CC1	ZINC000424142329	337765406	/nfs/dbraw/zinc/76/54/06/337765406.db2.gz	PKBOPNKBKIEWOE-KRWDZBQOSA-N	0	3	317.408	2.628	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CCc2cc(-c3ccccc3)oc2C1	ZINC000424147062	337773351	/nfs/dbraw/zinc/77/33/51/337773351.db2.gz	CEYSOKCSNIYFKP-INIZCTEOSA-N	0	3	323.396	2.852	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2ccc(F)cc2)CCCC1	ZINC000092803727	337909278	/nfs/dbraw/zinc/90/92/78/337909278.db2.gz	FCAFGTSVBDZYOT-UHFFFAOYSA-N	0	3	317.408	2.947	20	30		DFEDHN
CN(CCCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000084090344	338000053	/nfs/dbraw/zinc/00/00/53/338000053.db2.gz	GEHYXSWNUBFRCB-KGLIPLIRSA-N	0	3	300.468	2.604	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CSc2ccc(Br)cc21	ZINC000428193621	338042111	/nfs/dbraw/zinc/04/21/11/338042111.db2.gz	BXIPMVVXYZUYMZ-XVKPBYJWSA-N	0	3	311.204	2.872	20	30		DFEDHN
COC(=O)[C@]1(c2ccccc2)CCN(CCC(C)(C)C#N)C1	ZINC000428783543	338061066	/nfs/dbraw/zinc/06/10/66/338061066.db2.gz	WEPRWUGVIXZYGC-GOSISDBHSA-N	0	3	300.402	2.743	20	30		DFEDHN
C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000428909148	338064954	/nfs/dbraw/zinc/06/49/54/338064954.db2.gz	WQGLEGIGTRXJJQ-DOTOQJQBSA-N	0	3	301.434	2.772	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC	ZINC000429319176	338077541	/nfs/dbraw/zinc/07/75/41/338077541.db2.gz	TUEAPYQXGJWEIF-UAGQMJEPSA-N	0	3	308.466	2.616	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(F)c1	ZINC000429714679	338088025	/nfs/dbraw/zinc/08/80/25/338088025.db2.gz	YERHXTLPSBSGGD-AWEZNQCLSA-N	0	3	307.413	2.592	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cccc(SCC#N)c2)CCN1C	ZINC000430701570	338111750	/nfs/dbraw/zinc/11/17/50/338111750.db2.gz	DWOIVFJNUVHVPQ-GXTWGEPZSA-N	0	3	303.431	2.515	20	30		DFEDHN
CCS(=O)(=O)Nc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1	ZINC000430748340	338113427	/nfs/dbraw/zinc/11/34/27/338113427.db2.gz	CTXROLCCLLKMAR-CYBMUJFWSA-N	0	3	321.446	2.793	20	30		DFEDHN
COc1ccccc1NC(=O)C[C@H](C)NCC1(CC#N)CC1	ZINC000430753812	338113826	/nfs/dbraw/zinc/11/38/26/338113826.db2.gz	LQHHGBKZCVFKEC-ZDUSSCGKSA-N	0	3	301.390	2.696	20	30		DFEDHN
C=CCCCN(C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000431137689	338123769	/nfs/dbraw/zinc/12/37/69/338123769.db2.gz	LIZWOHFLYBJCPE-UHFFFAOYSA-N	0	3	319.453	2.888	20	30		DFEDHN
C=CCN(C)CCN(CC)CCc1nc2ccccc2n1C	ZINC000448509267	338134109	/nfs/dbraw/zinc/13/41/09/338134109.db2.gz	BQTIVNDWRFGUTJ-UHFFFAOYSA-N	0	3	300.450	2.556	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000433126968	338182536	/nfs/dbraw/zinc/18/25/36/338182536.db2.gz	QMDNAZROONYUBD-INIZCTEOSA-N	0	3	322.364	2.804	20	30		DFEDHN
CC(C)COCCCNC(=O)C(C#N)CCc1ccccc1	ZINC000433171978	338184126	/nfs/dbraw/zinc/18/41/26/338184126.db2.gz	CRBKSUKHOGINDZ-KRWDZBQOSA-N	0	3	302.418	2.938	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000433220284	338186371	/nfs/dbraw/zinc/18/63/71/338186371.db2.gz	OZIQLHTZWVJIRW-SJLPKXTDSA-N	0	3	313.445	2.607	20	30		DFEDHN
CC(C)OC[C@H](CO)N(C)Cc1ccccc1C(C)(C)C#N	ZINC000433246951	338187659	/nfs/dbraw/zinc/18/76/59/338187659.db2.gz	MYEVCXLAEZPGMU-INIZCTEOSA-N	0	3	304.434	2.705	20	30		DFEDHN
CN(C[C@H]1CN(Cc2ccccc2)CCCO1)CC(C)(C)C#N	ZINC000433296036	338190020	/nfs/dbraw/zinc/19/00/20/338190020.db2.gz	GSGNMEMKZQEWAA-SFHVURJKSA-N	0	3	315.461	2.759	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCc1cccc2c1OCO2	ZINC000433304374	338190666	/nfs/dbraw/zinc/19/06/66/338190666.db2.gz	MZMMAHBHSGPBNJ-OAHLLOKOSA-N	0	3	322.364	2.804	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCSC(C)(C)CC2)CC1	ZINC000434172982	338211479	/nfs/dbraw/zinc/21/14/79/338211479.db2.gz	LVOZOVUXWJBJPO-UHFFFAOYSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=C(C)COc1cc(CN2CCCN(C)CC2)ccc1OC	ZINC000435233556	338234929	/nfs/dbraw/zinc/23/49/29/338234929.db2.gz	VRCSVZDCMVENEQ-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H](c2cccnc2)C(C)C)CC1	ZINC000435690902	338245387	/nfs/dbraw/zinc/24/53/87/338245387.db2.gz	ITWZRCIPHPDOJP-SFHVURJKSA-N	0	3	315.461	2.978	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21	ZINC000438627391	338350318	/nfs/dbraw/zinc/35/03/18/338350318.db2.gz	USGAHGVGBLECKB-JOYOIKCWSA-N	0	3	323.190	2.891	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCN1C	ZINC000438857801	338354058	/nfs/dbraw/zinc/35/40/58/338354058.db2.gz	NGSRCLMNARLLIV-OIISXLGYSA-N	0	3	314.433	2.813	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000448646120	338399724	/nfs/dbraw/zinc/39/97/24/338399724.db2.gz	AIHMFQPQAJFYQU-SQNIBIBYSA-N	0	3	314.429	2.531	20	30		DFEDHN
COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1NC(C)=O	ZINC000447560852	338556985	/nfs/dbraw/zinc/55/69/85/338556985.db2.gz	FXMDVBQGRGDNJW-HIFRSBDPSA-N	0	3	301.390	2.826	20	30		DFEDHN
C=CCCCC[C@@H](C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O	ZINC000449175523	338599499	/nfs/dbraw/zinc/59/94/99/338599499.db2.gz	OKNXTDMOMIXPBP-HUUCEWRRSA-N	0	3	304.438	2.640	20	30		DFEDHN
CC[C@@H](NCc1cccc(OCCCC#N)c1)[C@@H](O)C(F)F	ZINC000449425135	338623163	/nfs/dbraw/zinc/62/31/63/338623163.db2.gz	RDUAXVGYRDGGPF-HUUCEWRRSA-N	0	3	312.360	2.863	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCc1cnn(-c2ccc(Cl)cc2)c1	ZINC000449521818	338634147	/nfs/dbraw/zinc/63/41/47/338634147.db2.gz	SNQSIAJOQUTBEK-CVEARBPZSA-N	0	3	303.793	2.959	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)cc2c1O[C@@H](C)C2	ZINC000449545918	338636406	/nfs/dbraw/zinc/63/64/06/338636406.db2.gz	AFMFSBGGCBYPEB-VUCTXSBTSA-N	0	3	303.402	2.842	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCC2	ZINC000451476258	338736144	/nfs/dbraw/zinc/73/61/44/338736144.db2.gz	ULTLSUFFVXZRGM-HRCADAONSA-N	0	3	308.466	2.737	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000453354231	338830321	/nfs/dbraw/zinc/83/03/21/338830321.db2.gz	KOJPYIJMKSSMND-BNOWGMLFSA-N	0	3	307.390	2.707	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)CC1	ZINC000454534330	338865956	/nfs/dbraw/zinc/86/59/56/338865956.db2.gz	DXUJVGCAAYRYSN-JKSUJKDBSA-N	0	3	305.466	2.857	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccsc1	ZINC000458205720	338991835	/nfs/dbraw/zinc/99/18/35/338991835.db2.gz	TYXPBXXLFUTEGO-AWEZNQCLSA-N	0	3	310.463	2.620	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C	ZINC000458909911	339008439	/nfs/dbraw/zinc/00/84/39/339008439.db2.gz	YVBYVYUECDZFFS-DOMZBBRYSA-N	0	3	307.463	2.885	20	30		DFEDHN
C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000458995358	339010587	/nfs/dbraw/zinc/01/05/87/339010587.db2.gz	FXTMEYYMMOVEHE-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000459259189	339018106	/nfs/dbraw/zinc/01/81/06/339018106.db2.gz	NKLBXOLOAHEXMH-HNNXBMFYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1	ZINC000463269609	339112690	/nfs/dbraw/zinc/11/26/90/339112690.db2.gz	BHOPFBRTHUPVHO-QAPCUYQASA-N	0	3	313.445	2.867	20	30		DFEDHN
C=CCN1CC[C@H](N(C)C[C@H](C)CCc2ccccc2)C1=O	ZINC000467518116	339240917	/nfs/dbraw/zinc/24/09/17/339240917.db2.gz	JQUMVYVXMBKMHY-AEFFLSMTSA-N	0	3	300.446	2.974	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)CC1	ZINC000471804521	339354720	/nfs/dbraw/zinc/35/47/20/339354720.db2.gz	NJLZXPZMGTXHIK-YPMHNXCESA-N	0	3	319.371	2.619	20	30		DFEDHN
C#C[C@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Br)cc1	ZINC000491393396	339860464	/nfs/dbraw/zinc/86/04/64/339860464.db2.gz	HMMVERVKGCSLNL-KBPBESRZSA-N	0	3	323.234	2.580	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C/c2c(F)cccc2F)CC1	ZINC000491942921	339887425	/nfs/dbraw/zinc/88/74/25/339887425.db2.gz	XOSUIIZFGHDKNH-BQYQJAHWSA-N	0	3	318.367	2.582	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cnc(NC(=O)OC(C)(C)C)s1	ZINC000495646681	339989086	/nfs/dbraw/zinc/98/90/86/339989086.db2.gz	JFXZUHBEPWCNKF-JTQLQIEISA-N	0	3	313.423	2.517	20	30		DFEDHN
CCN1CCO[C@@H](CN[C@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1	ZINC000496300033	340002465	/nfs/dbraw/zinc/00/24/65/340002465.db2.gz	DKLSOSBFNXLYPL-WNHJNPCNSA-N	0	3	313.445	2.730	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(CC#N)cc2)C1	ZINC000496310299	340002792	/nfs/dbraw/zinc/00/27/92/340002792.db2.gz	VIKXPYNLCHWLKQ-INIZCTEOSA-N	0	3	315.417	2.852	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCc3c(cccc3N3CCOC3=O)C2)C1	ZINC000496531000	340007289	/nfs/dbraw/zinc/00/72/89/340007289.db2.gz	UZDUQEURSXIKPA-DZGCQCFKSA-N	0	3	311.385	2.694	20	30		DFEDHN
C=CCN1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1	ZINC000496640777	340009532	/nfs/dbraw/zinc/00/95/32/340009532.db2.gz	DCHJAJPYSPNXIC-HOTGVXAUSA-N	0	3	324.465	2.957	20	30		DFEDHN
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000500624467	340064124	/nfs/dbraw/zinc/06/41/24/340064124.db2.gz	PFNHOVOBNMHAOC-IJLUTSLNSA-N	0	3	319.371	2.560	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@](C)(F)C1)C(C)C	ZINC000500795958	340067458	/nfs/dbraw/zinc/06/74/58/340067458.db2.gz	VOACTQWSNSHXJL-DOTOQJQBSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCOc1cccc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1	ZINC000504592432	340149854	/nfs/dbraw/zinc/14/98/54/340149854.db2.gz	ZADLMXIBOYSFOM-RDTXWAMCSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1	ZINC000507269092	340216300	/nfs/dbraw/zinc/21/63/00/340216300.db2.gz	VWSUTZPKEVKZKF-KBPBESRZSA-N	0	3	312.417	2.803	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc1	ZINC000509938331	340283247	/nfs/dbraw/zinc/28/32/47/340283247.db2.gz	OLFMLWUSYXDGTK-INIZCTEOSA-N	0	3	304.434	2.958	20	30		DFEDHN
C=CC[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1	ZINC000173655329	340370477	/nfs/dbraw/zinc/37/04/77/340370477.db2.gz	MLUYICSLJOZBTP-HNNXBMFYSA-N	0	3	301.434	2.523	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000516951877	340459860	/nfs/dbraw/zinc/45/98/60/340459860.db2.gz	YEIPDKULEACMGZ-KSZLIROESA-N	0	3	314.429	2.503	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccco1	ZINC000521613013	340526196	/nfs/dbraw/zinc/52/61/96/340526196.db2.gz	PPWPBODSVZXXDV-BRWVUGGUSA-N	0	3	313.397	2.894	20	30		DFEDHN
CC#CCCN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000190350235	340544420	/nfs/dbraw/zinc/54/44/20/340544420.db2.gz	AGEUEUXUYMQGRW-UHFFFAOYSA-N	0	3	308.466	2.528	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CC(OCCCCC)C2)CC1	ZINC000539174094	340875372	/nfs/dbraw/zinc/87/53/72/340875372.db2.gz	ZAYYIJKEAUQNBD-UHFFFAOYSA-N	0	3	323.481	2.628	20	30		DFEDHN
Cc1cc(C)cc(OC[C@H](O)CN2CCC(CC#N)CC2)c1	ZINC000543809918	341060047	/nfs/dbraw/zinc/06/00/47/341060047.db2.gz	RIMFVYSULHXLAX-QGZVFWFLSA-N	0	3	302.418	2.669	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2CCC2(C)C)c(OC)c1	ZINC000545343805	341122590	/nfs/dbraw/zinc/12/25/90/341122590.db2.gz	XKTSBZSDELBKJX-HNNXBMFYSA-N	0	3	305.418	2.648	20	30		DFEDHN
C[C@H](CCNCc1cccc(OCCCC#N)c1)[S@](C)=O	ZINC000133445778	341175372	/nfs/dbraw/zinc/17/53/72/341175372.db2.gz	LFXRUKAORBFVDE-SPLOXXLWSA-N	0	3	308.447	2.616	20	30		DFEDHN
N#CC(C(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccncn1	ZINC000546860922	341183846	/nfs/dbraw/zinc/18/38/46/341183846.db2.gz	VSNYUUZWBJVPRU-CVEARBPZSA-N	0	3	307.353	2.861	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OC(F)F)c(OC)c1	ZINC000134502416	341216553	/nfs/dbraw/zinc/21/65/53/341216553.db2.gz	NYBLPLGVIZBHDC-UHFFFAOYSA-N	0	3	301.333	2.979	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc(N3CCCC3)nc2)nc(C)n1	ZINC000547484455	341216571	/nfs/dbraw/zinc/21/65/71/341216571.db2.gz	UYJHIYFGXAFRDW-HNNXBMFYSA-N	0	3	321.384	2.579	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)C2(C#N)CCCC2)CN1Cc1ccccc1	ZINC000134891958	341226170	/nfs/dbraw/zinc/22/61/70/341226170.db2.gz	QJJDLFVSTBGQRG-WBVHZDCISA-N	0	3	311.429	2.850	20	30		DFEDHN
C=C(C)CN(Cc1ccccc1)C[C@@H](O)COC[C@@H]1CCCO1	ZINC000548096840	341246908	/nfs/dbraw/zinc/24/69/08/341246908.db2.gz	NEMGJUXYGQBTGZ-MOPGFXCFSA-N	0	3	319.445	2.621	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc(SCC#N)c1	ZINC000079545890	341261057	/nfs/dbraw/zinc/26/10/57/341261057.db2.gz	WAHXUPGMDNZXJJ-CQSZACIVSA-N	0	3	317.458	2.716	20	30		DFEDHN
C=C(C)CN(CC)C(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000079735090	341264904	/nfs/dbraw/zinc/26/49/04/341264904.db2.gz	ILTNWANACUXWMM-QGZVFWFLSA-N	0	3	303.450	2.767	20	30		DFEDHN
C[C@H](O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000136823339	341267859	/nfs/dbraw/zinc/26/78/59/341267859.db2.gz	FWXMYWYTUAFHSZ-RDJZCZTQSA-N	0	3	302.418	2.962	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2[C@@H](C)C[C@@H]2C)c(OC)c1	ZINC000548754957	341272523	/nfs/dbraw/zinc/27/25/23/341272523.db2.gz	VIQMOXMWQARVLV-OFQRWUPVSA-N	0	3	305.418	2.646	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000549525480	341296335	/nfs/dbraw/zinc/29/63/35/341296335.db2.gz	APMQLGXHAKNXRD-OAHLLOKOSA-N	0	3	320.433	2.783	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)[C@H](C)c1ccccc1	ZINC000246026890	341322267	/nfs/dbraw/zinc/32/22/67/341322267.db2.gz	VOZUFZSXBZADFR-RLFYNMQTSA-N	0	3	301.434	2.823	20	30		DFEDHN
C=CCC(C)(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000551060650	341330606	/nfs/dbraw/zinc/33/06/06/341330606.db2.gz	HFXSHOHOTLQPQQ-UHFFFAOYSA-N	0	3	300.446	2.804	20	30		DFEDHN
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc(SCC#N)c1	ZINC000247279282	341363073	/nfs/dbraw/zinc/36/30/73/341363073.db2.gz	XFACQXJVRKMGTL-XJKSGUPXSA-N	0	3	317.458	2.714	20	30		DFEDHN
C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1CO	ZINC000248883935	341389351	/nfs/dbraw/zinc/38/93/51/341389351.db2.gz	DOVVHAFTTDGCSL-DOMZBBRYSA-N	0	3	313.319	2.639	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)[C@@H](CC)CSC)CC1	ZINC000091218488	341423387	/nfs/dbraw/zinc/42/33/87/341423387.db2.gz	JQOMHWFUUMWJRV-HNNXBMFYSA-N	0	3	313.511	2.810	20	30		DFEDHN
CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000566092979	341547544	/nfs/dbraw/zinc/54/75/44/341547544.db2.gz	UNTVFMRAGVHXJY-DZGCQCFKSA-N	0	3	303.406	2.672	20	30		DFEDHN
CC[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)s1	ZINC000566115710	341548152	/nfs/dbraw/zinc/54/81/52/341548152.db2.gz	FXPRLLHSKWWEOG-NWDGAFQWSA-N	0	3	315.870	2.649	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(C)c(C(C)=O)c2)CC1	ZINC000566434611	341558013	/nfs/dbraw/zinc/55/80/13/341558013.db2.gz	XHFBMKWAYJDOBK-UHFFFAOYSA-N	0	3	315.417	2.970	20	30		DFEDHN
CN(C)[C@@H](CC(=O)Nc1cc(CC#N)ccn1)c1ccccc1	ZINC000566785983	341567955	/nfs/dbraw/zinc/56/79/55/341567955.db2.gz	QVKKCCINOFSDMM-INIZCTEOSA-N	0	3	308.385	2.779	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCC#N	ZINC000424124141	517473355	/nfs/dbraw/zinc/47/33/55/517473355.db2.gz	LMXQHAADSGYXPL-IRXDYDNUSA-N	0	3	319.424	2.872	20	30		DFEDHN
COC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000411449041	518084821	/nfs/dbraw/zinc/08/48/21/518084821.db2.gz	DSDWQXNQDHDSEG-GOSISDBHSA-N	0	3	323.396	2.864	20	30		DFEDHN
CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21	ZINC000365005077	523102786	/nfs/dbraw/zinc/10/27/86/523102786.db2.gz	WCPWCVXZFLNEOS-ROUUACIJSA-N	0	3	307.397	2.996	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCC(n3cccn3)CC2)cc1	ZINC000365157878	526672602	/nfs/dbraw/zinc/67/26/02/526672602.db2.gz	ARALKRUFIRPOJT-UHFFFAOYSA-N	0	3	310.401	2.861	20	30		DFEDHN
N#Cc1ccc(OCCCN2CCCO[C@H]3CCC[C@H]32)cc1	ZINC000369458773	526672674	/nfs/dbraw/zinc/67/26/74/526672674.db2.gz	RJWRGPXWYAFXPJ-MSOLQXFVSA-N	0	3	300.402	2.971	20	30		DFEDHN
CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)c(C)c2)C1(C)C	ZINC000332496887	528156026	/nfs/dbraw/zinc/15/60/26/528156026.db2.gz	YMRYCRSQOSOTCL-FUHWJXTLSA-N	0	3	302.418	2.522	20	30		DFEDHN
CC(C)c1nnc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[n-]1	ZINC000294782669	528440755	/nfs/dbraw/zinc/44/07/55/528440755.db2.gz	LEQOWSHCCKXHSW-UHFFFAOYSA-N	0	3	324.432	2.558	20	30		DFEDHN
CC(C)[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000331880886	528666845	/nfs/dbraw/zinc/66/68/45/528666845.db2.gz	CFBCVHOTZFTZNJ-GOSISDBHSA-N	0	3	313.445	2.933	20	30		DFEDHN
CCN(CC)C(=O)CCCN[C@@H](C)c1ccc(C#N)cc1F	ZINC000358569274	535418261	/nfs/dbraw/zinc/41/82/61/535418261.db2.gz	LWZGQVRQNFNBLN-ZDUSSCGKSA-N	0	3	305.397	2.997	20	30		DFEDHN
COC(=O)c1ccc(CNCCOc2ccc(C#N)cc2)cc1	ZINC000237218915	536702797	/nfs/dbraw/zinc/70/27/97/536702797.db2.gz	JOGQXZIZKFJUGK-UHFFFAOYSA-N	0	3	310.353	2.513	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC(C(F)F)CC1	ZINC000361692881	536882020	/nfs/dbraw/zinc/88/20/20/536882020.db2.gz	ORYOVBMKCBNZLZ-UHFFFAOYSA-N	0	3	310.344	2.923	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cccc(OCC)c1OC(F)F	ZINC000680484565	545501080	/nfs/dbraw/zinc/50/10/80/545501080.db2.gz	MNXZHOOVASTUSJ-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccnc(OC(C)C)c2)CC1	ZINC000681848529	545736776	/nfs/dbraw/zinc/73/67/76/545736776.db2.gz	ZWXMENJIYKFSLY-UHFFFAOYSA-N	0	3	318.421	2.641	20	30		DFEDHN
C=CCCC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000735413354	599269764	/nfs/dbraw/zinc/26/97/64/599269764.db2.gz	SRQRIOIMLMINPP-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
C=CCCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000735413354	599269766	/nfs/dbraw/zinc/26/97/66/599269766.db2.gz	SRQRIOIMLMINPP-UHFFFAOYSA-N	0	3	313.405	2.676	20	30		DFEDHN
C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1	ZINC000736816236	598679587	/nfs/dbraw/zinc/67/95/87/598679587.db2.gz	BKUFYSXLEIZARA-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nnn[n-]1	ZINC000736816236	598679590	/nfs/dbraw/zinc/67/95/90/598679590.db2.gz	BKUFYSXLEIZARA-UHFFFAOYSA-N	0	3	322.347	2.509	20	30		DFEDHN
CCCCCCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000821056497	599395985	/nfs/dbraw/zinc/39/59/85/599395985.db2.gz	SPUXVJMTNSYZMH-UHFFFAOYSA-N	0	3	303.410	2.935	20	30		DFEDHN
CCCCCCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000821056497	599395986	/nfs/dbraw/zinc/39/59/86/599395986.db2.gz	SPUXVJMTNSYZMH-UHFFFAOYSA-N	0	3	303.410	2.935	20	30		DFEDHN
N#Cc1cccc(C2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)c1	ZINC000826386353	607704917	/nfs/dbraw/zinc/70/49/17/607704917.db2.gz	APOGZRHCVRXCKP-UHFFFAOYSA-N	0	3	322.397	2.579	20	30		DFEDHN
C#CC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccccc1	ZINC000823838194	607938791	/nfs/dbraw/zinc/93/87/91/607938791.db2.gz	LRDNUGJOADMIAU-KRWDZBQOSA-N	0	3	303.369	2.721	20	30		DFEDHN
C[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1	ZINC000824612938	608483768	/nfs/dbraw/zinc/48/37/68/608483768.db2.gz	QAJFYLIJFROISW-LLVKDONJSA-N	0	3	322.347	2.728	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC	ZINC000076735974	185037129	/nfs/dbraw/zinc/03/71/29/185037129.db2.gz	CTBZWFSLYBFJIW-CYBMUJFWSA-N	0	3	306.406	2.929	20	30		DFEDHN
Cn1cc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1C#N	ZINC000278703752	214339031	/nfs/dbraw/zinc/33/90/31/214339031.db2.gz	NZJDJMMJKKATSZ-UHFFFAOYSA-N	0	3	323.440	2.714	20	30		DFEDHN
Cc1cc(C#N)nc(NC[C@@]2(C)CCN(Cc3ccccc3)C2)n1	ZINC000310283600	231112303	/nfs/dbraw/zinc/11/23/03/231112303.db2.gz	LNSUINDCWROGLL-LJQANCHMSA-N	0	3	321.428	2.981	20	30		DFEDHN
C[C@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000323766210	231220061	/nfs/dbraw/zinc/22/00/61/231220061.db2.gz	XQWDMFIUSWWWTG-YOEHRIQHSA-N	0	3	315.417	2.512	20	30		DFEDHN
CCC[C@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1	ZINC000596185468	398350645	/nfs/dbraw/zinc/35/06/45/398350645.db2.gz	LYERUBKTYZKOCR-SFHVURJKSA-N	0	3	323.444	2.783	20	30		DFEDHN
CN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC12CCCCC2	ZINC000596249851	398367575	/nfs/dbraw/zinc/36/75/75/398367575.db2.gz	BEFCHXOZHYIABY-UHFFFAOYSA-N	0	3	314.389	2.921	20	30		DFEDHN
CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(F)cc1	ZINC000008003924	398367809	/nfs/dbraw/zinc/36/78/09/398367809.db2.gz	RUSCWMWVPJOTJQ-ROUUACIJSA-N	0	3	317.408	2.921	20	30		DFEDHN
CC(C)(NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1F	ZINC000578548115	398374287	/nfs/dbraw/zinc/37/42/87/398374287.db2.gz	MIFRSEOHCOEITJ-LBPRGKRZSA-N	0	3	311.788	2.852	20	30		DFEDHN
Cn1cc([C@@H]2OCC[C@H]2NCCC2(C#N)CCCCC2)cn1	ZINC000578525084	398373604	/nfs/dbraw/zinc/37/36/04/398373604.db2.gz	UECFYUNUHLZAMR-CVEARBPZSA-N	0	3	302.422	2.704	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)NCC#N)c1ccc(C(C)(C)C)cc1	ZINC000066473691	398380530	/nfs/dbraw/zinc/38/05/30/398380530.db2.gz	DRMRFYVHUZVDBD-QGZVFWFLSA-N	0	3	301.434	2.911	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc3ccc(C)nc32)CC1	ZINC000066461853	398378878	/nfs/dbraw/zinc/37/88/78/398378878.db2.gz	SWVMVVQEZFRNMR-UHFFFAOYSA-N	0	3	307.397	2.827	20	30		DFEDHN
CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000181323305	199281135	/nfs/dbraw/zinc/28/11/35/199281135.db2.gz	DYTBTAVYMLOQNW-SFHVURJKSA-N	0	3	322.412	2.623	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)c1cc(C#N)cs1)Cc1ccccc1	ZINC000084167703	398394782	/nfs/dbraw/zinc/39/47/82/398394782.db2.gz	QTZAKYHGHYRNGE-OAHLLOKOSA-N	0	3	313.426	2.522	20	30		DFEDHN
Cc1sc(NC(=O)CN[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)c1C	ZINC000592180841	398397257	/nfs/dbraw/zinc/39/72/57/398397257.db2.gz	HFLMWPNZXHAHTJ-OUCADQQQSA-N	0	3	303.431	2.953	20	30		DFEDHN
CC(C)(C)[C@H](CCO)NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000181460742	199299814	/nfs/dbraw/zinc/29/98/14/199299814.db2.gz	OGANOQJZJIFQKK-AWEZNQCLSA-N	0	3	323.824	2.537	20	30		DFEDHN
CC(C)(C)[C@H](CCO)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000181486004	199305230	/nfs/dbraw/zinc/30/52/30/199305230.db2.gz	VZAFYIYCVPFPPJ-AWEZNQCLSA-N	0	3	323.824	2.537	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccc(C)cc2)CCC1	ZINC000592189862	398399951	/nfs/dbraw/zinc/39/99/51/398399951.db2.gz	YCVORGJUQCXWKB-MRXNPFEDSA-N	0	3	313.445	2.972	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCC)c(F)c2)CC1	ZINC000066921316	398407541	/nfs/dbraw/zinc/40/75/41/398407541.db2.gz	PYXWZZCHIRTYGQ-UHFFFAOYSA-N	0	3	304.365	2.508	20	30		DFEDHN
COc1ccc(C[C@@H](C)CNC[C@H](C#N)CCC#N)cc1OC	ZINC000584734684	398405678	/nfs/dbraw/zinc/40/56/78/398405678.db2.gz	GNSKMHVAADLDOY-ZBFHGGJFSA-N	0	3	315.417	2.916	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC2(CCC2)O1	ZINC000584778630	398411476	/nfs/dbraw/zinc/41/14/76/398411476.db2.gz	RXYKKBBXYQPSHY-AWEZNQCLSA-N	0	3	313.401	2.530	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1	ZINC000067144120	398420083	/nfs/dbraw/zinc/42/00/83/398420083.db2.gz	GTPDMSQXKJKSFX-KGLIPLIRSA-N	0	3	316.367	2.569	20	30		DFEDHN
CCc1ccc([C@@H]2CNCCN2Cc2ccncc2C#N)cc1	ZINC000592489025	398432688	/nfs/dbraw/zinc/43/26/88/398432688.db2.gz	CIFQOLNHSRSILG-IBGZPJMESA-N	0	3	306.413	2.662	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2cc(F)ccc2F)CC1	ZINC000592485822	398432706	/nfs/dbraw/zinc/43/27/06/398432706.db2.gz	BLXIHUSTJFAWMN-LBPRGKRZSA-N	0	3	323.387	2.975	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)CC1	ZINC000592498552	398434434	/nfs/dbraw/zinc/43/44/34/398434434.db2.gz	URCXSJMGECKUIN-CJNGLKHVSA-N	0	3	317.433	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1	ZINC000592498554	398434715	/nfs/dbraw/zinc/43/47/15/398434715.db2.gz	URCXSJMGECKUIN-XJKSGUPXSA-N	0	3	317.433	2.853	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H](c3cccnc3)C3CC3)n2c1	ZINC000585766781	398445789	/nfs/dbraw/zinc/44/57/89/398445789.db2.gz	BCSFTANMYSXJHL-GOSISDBHSA-N	0	3	303.369	2.842	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1	ZINC000067704000	398451728	/nfs/dbraw/zinc/45/17/28/398451728.db2.gz	XWESDXFANMZNGF-UHFFFAOYSA-N	0	3	310.319	2.989	20	30		DFEDHN
CN1CCN(CCC(C)(C)Nc2cccc(F)c2C#N)CC1	ZINC000302251929	530072146	/nfs/dbraw/zinc/07/21/46/530072146.db2.gz	NGEHLIUUCQZAPH-UHFFFAOYSA-N	0	3	304.413	2.525	20	30		DFEDHN
Cc1nc(C(=O)N(CCN(C)C)C2CCCCC2)ccc1C#N	ZINC000067869848	398463298	/nfs/dbraw/zinc/46/32/98/398463298.db2.gz	FBRGHHMPCMWTQZ-UHFFFAOYSA-N	0	3	314.433	2.598	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000596656825	398472674	/nfs/dbraw/zinc/47/26/74/398472674.db2.gz	GRFPCKBIWSEPQH-HNNXBMFYSA-N	0	3	300.406	2.747	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000596708055	398482470	/nfs/dbraw/zinc/48/24/70/398482470.db2.gz	MPTIPBSOLBMTHN-CQSZACIVSA-N	0	3	300.406	2.861	20	30		DFEDHN
CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCCCCC#N	ZINC000588301926	398492846	/nfs/dbraw/zinc/49/28/46/398492846.db2.gz	PSVRLYYNQSMTJS-QGZVFWFLSA-N	0	3	301.434	2.750	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C#N	ZINC000596763742	398496193	/nfs/dbraw/zinc/49/61/93/398496193.db2.gz	PRSBAAMIEPZTGP-IAGOWNOFSA-N	0	3	320.481	2.976	20	30		DFEDHN
COC(=O)COc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1	ZINC000181967896	199368759	/nfs/dbraw/zinc/36/87/59/199368759.db2.gz	VOPMZQSGFUGAFT-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1cccc(C#N)c1	ZINC000181970106	199368622	/nfs/dbraw/zinc/36/86/22/199368622.db2.gz	FETSHRCAGZPEGQ-PBHICJAKSA-N	0	3	307.401	2.668	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308162844	398512543	/nfs/dbraw/zinc/51/25/43/398512543.db2.gz	BHMLAZKTHJTLDJ-OAHLLOKOSA-N	0	3	307.401	2.597	20	30		DFEDHN
N#CC1(C(=O)NCCCN2CCc3ccccc3C2)CCCC1	ZINC000032400473	398530940	/nfs/dbraw/zinc/53/09/40/398530940.db2.gz	KMEIVXHKFHFUSK-UHFFFAOYSA-N	0	3	311.429	2.635	20	30		DFEDHN
Cc1cc(C)n(CCN2CCC(Oc3ccc(C#N)cc3)CC2)n1	ZINC000068826197	398531445	/nfs/dbraw/zinc/53/14/45/398531445.db2.gz	PPUCIIGENGLVII-UHFFFAOYSA-N	0	3	324.428	2.915	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCC[C@H](OC(C)C)C1	ZINC000593055573	398532433	/nfs/dbraw/zinc/53/24/33/398532433.db2.gz	LYQGZARUNLIMID-INIZCTEOSA-N	0	3	318.417	2.835	20	30		DFEDHN
CC1(C)CCN(C[C@H](O)COc2ccccc2C#N)CCS1	ZINC000318081791	398537450	/nfs/dbraw/zinc/53/74/50/398537450.db2.gz	FWUQWKWSCQADKK-HNNXBMFYSA-N	0	3	320.458	2.515	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)c1cccc(C#N)n1)c1ccccc1	ZINC000589254914	398541151	/nfs/dbraw/zinc/54/11/51/398541151.db2.gz	VAPYVJBKNDOZQN-SFHVURJKSA-N	0	3	322.412	2.766	20	30		DFEDHN
C[C@@H](CC#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1	ZINC000596994472	398542544	/nfs/dbraw/zinc/54/25/44/398542544.db2.gz	AMXUFBUPXUXPMP-AWEZNQCLSA-N	0	3	317.458	2.766	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2[C@H](C)C1	ZINC000593090951	398542942	/nfs/dbraw/zinc/54/29/42/398542942.db2.gz	KYXKJDLDWOPWGJ-HUUCEWRRSA-N	0	3	311.429	2.599	20	30		DFEDHN
CC[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)cc1	ZINC000589344910	398547472	/nfs/dbraw/zinc/54/74/72/398547472.db2.gz	ZKDMHTHEWJEIJP-SFHVURJKSA-N	0	3	307.397	2.827	20	30		DFEDHN
C=CCOc1ccccc1CN(C)C[C@@H]1CCN(C(C)=O)C1	ZINC000092100902	398558817	/nfs/dbraw/zinc/55/88/17/398558817.db2.gz	LHDVGMZRERFWKZ-INIZCTEOSA-N	0	3	302.418	2.552	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H]1OC	ZINC000597085108	398564153	/nfs/dbraw/zinc/56/41/53/398564153.db2.gz	CGVCSQNIKMMMRY-BBWFWOEESA-N	0	3	300.402	2.524	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(C#N)n1	ZINC000589616218	398564810	/nfs/dbraw/zinc/56/48/10/398564810.db2.gz	LWZKAJPMRXFVRH-UHFFFAOYSA-N	0	3	322.412	2.594	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1	ZINC000069339834	398565197	/nfs/dbraw/zinc/56/51/97/398565197.db2.gz	RIPHBEVWFRIHKG-HNNXBMFYSA-N	0	3	320.433	2.684	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1nccn1CC(F)(F)F	ZINC000280543040	334968007	/nfs/dbraw/zinc/96/80/07/334968007.db2.gz	DBUNQPMSUDKZTQ-YPMHNXCESA-N	0	3	303.328	2.516	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1	ZINC000041553941	398569720	/nfs/dbraw/zinc/56/97/20/398569720.db2.gz	QONREYWGICRRCV-NSHDSACASA-N	0	3	321.258	2.994	20	30		DFEDHN
COCCO[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1	ZINC000597122329	398570412	/nfs/dbraw/zinc/57/04/12/398570412.db2.gz	XREFRFWCMFRWIA-SFHVURJKSA-N	0	3	314.429	2.869	20	30		DFEDHN
N#CC1(c2ccc(CN3CC[C@H]([C@H](O)C(F)(F)F)C3)cc2)CC1	ZINC000597142992	398575224	/nfs/dbraw/zinc/57/52/24/398575224.db2.gz	WUOKKRRHNBPTSH-ZFWWWQNUSA-N	0	3	324.346	2.987	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)N1CCCN(C(C)C)CC1	ZINC000069662407	398579439	/nfs/dbraw/zinc/57/94/39/398579439.db2.gz	LBJDHFGSRRZZBZ-UHFFFAOYSA-N	0	3	316.405	2.515	20	30		DFEDHN
C[C@H](CN[C@H]1CCCC[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1	ZINC000597195973	398587318	/nfs/dbraw/zinc/58/73/18/398587318.db2.gz	PDPXNTGIYYJRCB-UNEWFSDZSA-N	0	3	320.458	2.866	20	30		DFEDHN
Cn1ccnc1[C@@H]1OCCC[C@H]1CN[C@H]1CCCC[C@@H]1C#N	ZINC000597195624	398587747	/nfs/dbraw/zinc/58/77/47/398587747.db2.gz	LNBXELGMKYZBDG-FXUDXRNXSA-N	0	3	302.422	2.560	20	30		DFEDHN
COCCN(C)CCNc1cc(C#N)c2cc(Cl)ccc2n1	ZINC000092642804	398589061	/nfs/dbraw/zinc/58/90/61/398589061.db2.gz	RTVHNWIRCQAIGT-UHFFFAOYSA-N	0	3	318.808	2.750	20	30		DFEDHN
N#CCc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1	ZINC000042381340	398589687	/nfs/dbraw/zinc/58/96/87/398589687.db2.gz	QDCJZEKBMUGRME-IBGZPJMESA-N	0	3	319.408	2.757	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000189494769	290241834	/nfs/dbraw/zinc/24/18/34/290241834.db2.gz	HWTLFUZHMWSKSN-AEFFLSMTSA-N	0	3	323.440	2.533	20	30		DFEDHN
C[C@]12COC[C@H]1CN(Cc1cccc(OCCCC#N)c1)C2	ZINC000597212573	398591888	/nfs/dbraw/zinc/59/18/88/398591888.db2.gz	VQNYTBGZGZFOJZ-AEFFLSMTSA-N	0	3	300.402	2.837	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC1(C#N)CCCC1)c1ccccc1	ZINC000593298537	398592464	/nfs/dbraw/zinc/59/24/64/398592464.db2.gz	RDNIARZQRUEJNJ-INIZCTEOSA-N	0	3	314.433	2.672	20	30		DFEDHN
CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1OCC(=O)NC	ZINC000590169907	398603044	/nfs/dbraw/zinc/60/30/44/398603044.db2.gz	BJQBJAWZDXOJMR-LZWOXQAQSA-N	0	3	315.417	2.544	20	30		DFEDHN
COC[C@H](NCCOCCC#N)c1cccc(C(F)(F)F)c1	ZINC000590171885	398603427	/nfs/dbraw/zinc/60/34/27/398603427.db2.gz	BKOBYZKTZUGCJI-AWEZNQCLSA-N	0	3	316.323	2.913	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1	ZINC000593338446	398603472	/nfs/dbraw/zinc/60/34/72/398603472.db2.gz	IJEFHBNSTSPKCI-UHFFFAOYSA-N	0	3	324.428	2.624	20	30		DFEDHN
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)c(OC)c1	ZINC000597243546	398604521	/nfs/dbraw/zinc/60/45/21/398604521.db2.gz	ZLDOPFHLHMLZHE-WMZOPIPTSA-N	0	3	316.401	2.778	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC1(C#N)CC1	ZINC000590293930	398610649	/nfs/dbraw/zinc/61/06/49/398610649.db2.gz	GAJMUYORNHSKMS-NVXWUHKLSA-N	0	3	311.429	2.707	20	30		DFEDHN
N#Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1	ZINC000043329917	398618779	/nfs/dbraw/zinc/61/87/79/398618779.db2.gz	AZVHQDBVICEBRS-SFHVURJKSA-N	0	3	320.396	2.954	20	30		DFEDHN
CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@]1(C#N)CC12CCCC2	ZINC000590631073	398642259	/nfs/dbraw/zinc/64/22/59/398642259.db2.gz	MJOBCIODSYMGEF-IIDMSEBBSA-N	0	3	301.434	2.546	20	30		DFEDHN
CC[C@H](C#N)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000593484003	398643408	/nfs/dbraw/zinc/64/34/08/398643408.db2.gz	KOGMUBRUHOBUPW-VNHYZAJKSA-N	0	3	305.447	2.797	20	30		DFEDHN
N#CC1(c2ccc(C(=O)N3CCC[C@@H](N4CCCC4)C3)cc2)CC1	ZINC000364937643	398647556	/nfs/dbraw/zinc/64/75/56/398647556.db2.gz	SYNWFMZVVWRDEY-GOSISDBHSA-N	0	3	323.440	2.942	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000045027204	398659841	/nfs/dbraw/zinc/65/98/41/398659841.db2.gz	JYLJJLXZQBGNAZ-GOSISDBHSA-N	0	3	322.412	2.853	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(C)(C)c2cccs2)CC1	ZINC000172075684	198035835	/nfs/dbraw/zinc/03/58/35/198035835.db2.gz	GUOXWKUJDDFGRY-UHFFFAOYSA-N	0	3	321.490	2.975	20	30		DFEDHN
CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1cccc(C)c1C	ZINC000593614698	398661863	/nfs/dbraw/zinc/66/18/63/398661863.db2.gz	VOJHIFCSZATUFL-UKRRQHHQSA-N	0	3	302.374	2.574	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2CSc3ccccc32)CC1	ZINC000172380220	198088582	/nfs/dbraw/zinc/08/85/82/198088582.db2.gz	TVTILYIRNLYTNU-OAHLLOKOSA-N	0	3	302.443	2.643	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000590747513	398665107	/nfs/dbraw/zinc/66/51/07/398665107.db2.gz	ZQIZEQORFTWWIA-INIZCTEOSA-N	0	3	313.445	2.980	20	30		DFEDHN
N#Cc1ccc(CNC[C@]2(CO)CCc3ccccc32)cc1F	ZINC000593653217	398665661	/nfs/dbraw/zinc/66/56/61/398665661.db2.gz	WNGGQLMNOBTREK-IBGZPJMESA-N	0	3	310.372	2.663	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597648961	398673565	/nfs/dbraw/zinc/67/35/65/398673565.db2.gz	TVIKUUCJHDUPQA-WCQYABFASA-N	0	3	319.355	2.535	20	30		DFEDHN
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597651865	398674427	/nfs/dbraw/zinc/67/44/27/398674427.db2.gz	OIIHQUSWKGYWMS-BDJLRTHQSA-N	0	3	319.355	2.535	20	30		DFEDHN
CCn1nc(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000102115715	398675925	/nfs/dbraw/zinc/67/59/25/398675925.db2.gz	WYOHRPKTPNFUPT-GFCCVEGCSA-N	0	3	307.357	2.588	20	30		DFEDHN
C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccn(C)n1	ZINC000593724296	398677838	/nfs/dbraw/zinc/67/78/38/398677838.db2.gz	DAKCOSVXAACIIT-OAHLLOKOSA-N	0	3	323.444	2.607	20	30		DFEDHN
C=CC[C@H](CC)NC(=O)NCc1ccccc1OCCN(C)C	ZINC000281226442	334977771	/nfs/dbraw/zinc/97/77/71/334977771.db2.gz	OTHOQOCQPPWYQX-INIZCTEOSA-N	0	3	319.449	2.781	20	30		DFEDHN
C=CCN1CC[C@H](N[C@H](C)c2ccc(Br)cc2)C1=O	ZINC000281226485	334977894	/nfs/dbraw/zinc/97/78/94/334977894.db2.gz	OTVNVDQQXNLELS-RISCZKNCSA-N	0	3	323.234	2.887	20	30		DFEDHN
CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2	ZINC000597710328	398683779	/nfs/dbraw/zinc/68/37/79/398683779.db2.gz	KIRUTNOMPJKQEW-LJQANCHMSA-N	0	3	323.440	2.800	20	30		DFEDHN
CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2	ZINC000597710327	398683817	/nfs/dbraw/zinc/68/38/17/398683817.db2.gz	KIRUTNOMPJKQEW-IBGZPJMESA-N	0	3	323.440	2.800	20	30		DFEDHN
N#CC1(CNC(=O)CCN2CCc3ccccc3C2)CCCC1	ZINC000593773314	398684547	/nfs/dbraw/zinc/68/45/47/398684547.db2.gz	HNWLDSCQFZSVGU-UHFFFAOYSA-N	0	3	311.429	2.635	20	30		DFEDHN
Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1F	ZINC000103640588	398685613	/nfs/dbraw/zinc/68/56/13/398685613.db2.gz	TYMLYSPXCLMXCG-CYBMUJFWSA-N	0	3	312.348	2.942	20	30		DFEDHN
CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)CO1	ZINC000593807158	398690755	/nfs/dbraw/zinc/69/07/55/398690755.db2.gz	GRYLEVDNIPBLSM-HYVNUMGLSA-N	0	3	300.402	2.785	20	30		DFEDHN
C[C@@H](CO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1	ZINC000593831285	398695529	/nfs/dbraw/zinc/69/55/29/398695529.db2.gz	SYZNHCAFYBYHJT-YJBOKZPZSA-N	0	3	314.429	2.626	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1CN(C2CCCCC2)C1	ZINC000590911380	398699672	/nfs/dbraw/zinc/69/96/72/398699672.db2.gz	JJUBGVYUIHDMRN-LJQANCHMSA-N	0	3	323.440	2.926	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)N2Cc3cccc(C#N)c3C2)c1	ZINC000593892435	398701639	/nfs/dbraw/zinc/70/16/39/398701639.db2.gz	UKAKEZCBCOHEBF-UHFFFAOYSA-N	0	3	305.381	2.776	20	30		DFEDHN
N#Cc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)nc1	ZINC000107443246	398702371	/nfs/dbraw/zinc/70/23/71/398702371.db2.gz	JPIBQJBSKGFKIC-GOSISDBHSA-N	0	3	320.396	2.520	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccc(C#N)o2)C1	ZINC000174329724	198320336	/nfs/dbraw/zinc/32/03/36/198320336.db2.gz	HEZRZZMSOIVDJY-ZDUSSCGKSA-N	0	3	319.405	2.888	20	30		DFEDHN
COc1ccc(C[C@@H](C)NCc2ccc(C#N)o2)cc1OC	ZINC000174367701	198325111	/nfs/dbraw/zinc/32/51/11/198325111.db2.gz	ANYQAISTFAZEOZ-GFCCVEGCSA-N	0	3	300.358	2.889	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000597859068	398704854	/nfs/dbraw/zinc/70/48/54/398704854.db2.gz	RJUILIFILTZKCC-INIZCTEOSA-N	0	3	311.429	2.579	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000597859069	398705486	/nfs/dbraw/zinc/70/54/86/398705486.db2.gz	RJUILIFILTZKCC-MRXNPFEDSA-N	0	3	311.429	2.579	20	30		DFEDHN
N#Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)nc1	ZINC000593946734	398706332	/nfs/dbraw/zinc/70/63/32/398706332.db2.gz	JPQGTGNJDMSMFT-IRXDYDNUSA-N	0	3	304.397	2.521	20	30		DFEDHN
COCCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1	ZINC000046600459	398713059	/nfs/dbraw/zinc/71/30/59/398713059.db2.gz	PIVJCWOUXWGTRI-UHFFFAOYSA-N	0	3	321.465	2.562	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C	ZINC000593982453	398713735	/nfs/dbraw/zinc/71/37/35/398713735.db2.gz	NBVNIONMTXJFSW-RVKKMQEKSA-N	0	3	313.445	2.535	20	30		DFEDHN
C[C@H]1CC(=O)NCCN1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000591022070	398716225	/nfs/dbraw/zinc/71/62/25/398716225.db2.gz	MRSSYUKJTWIEAV-HNNXBMFYSA-N	0	3	319.408	2.936	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000593996414	398716868	/nfs/dbraw/zinc/71/68/68/398716868.db2.gz	SQUSKLAVTLTSCU-OAHLLOKOSA-N	0	3	301.434	2.535	20	30		DFEDHN
CN(C(=O)CN1CC[C@H](C2CCC2)C1)C1(C#N)CCCCC1	ZINC000591061888	398720092	/nfs/dbraw/zinc/72/00/92/398720092.db2.gz	MPBLIQHRXKBCTP-INIZCTEOSA-N	0	3	303.450	2.793	20	30		DFEDHN
CC(C)(C)N1CC[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1	ZINC000597920898	398721417	/nfs/dbraw/zinc/72/14/17/398721417.db2.gz	CHNBDHIHFMEACG-IAGOWNOFSA-N	0	3	313.445	2.748	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)nc1	ZINC000594015291	398722226	/nfs/dbraw/zinc/72/22/26/398722226.db2.gz	IFYSGPRHELTTAA-PMACEKPBSA-N	0	3	321.424	2.911	20	30		DFEDHN
CCC(C)(C)N1CCN(Cc2cc(C#N)ccc2OC)CC1	ZINC000594019907	398722798	/nfs/dbraw/zinc/72/27/98/398722798.db2.gz	CLHCNLAFUMZEMA-UHFFFAOYSA-N	0	3	301.434	2.873	20	30		DFEDHN
CC(C)(NC(=O)[C@@H](C1CC1)N1CCCC1)c1cccc(C#N)c1	ZINC000597954023	398727205	/nfs/dbraw/zinc/72/72/05/398727205.db2.gz	FZCXSICFCMOUPI-QGZVFWFLSA-N	0	3	311.429	2.784	20	30		DFEDHN
C=CCCSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000597970493	398729298	/nfs/dbraw/zinc/72/92/98/398729298.db2.gz	QKXACVCEVYIWIJ-INIZCTEOSA-N	0	3	313.426	2.666	20	30		DFEDHN
Cc1ccoc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000047011246	398732716	/nfs/dbraw/zinc/73/27/16/398732716.db2.gz	ZHMHTDCTIXUPII-UHFFFAOYSA-N	0	3	311.385	2.664	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1	ZINC000112636549	398735143	/nfs/dbraw/zinc/73/51/43/398735143.db2.gz	KVVYTPUAFPNXKU-WBVHZDCISA-N	0	3	308.466	2.738	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1	ZINC000112636555	398735257	/nfs/dbraw/zinc/73/52/57/398735257.db2.gz	KVVYTPUAFPNXKU-DOTOQJQBSA-N	0	3	308.466	2.738	20	30		DFEDHN
C[C@@H](C#N)C(=O)Nc1nc2ccc(CN(C)C3CC3)cc2s1	ZINC000598027686	398739563	/nfs/dbraw/zinc/73/95/63/398739563.db2.gz	MBKZCVIKSQHKJH-JTQLQIEISA-N	0	3	314.414	2.989	20	30		DFEDHN
C[C@]1(C#N)CCCN(C(=O)CCN2CCc3ccccc3C2)C1	ZINC000591319848	398748296	/nfs/dbraw/zinc/74/82/96/398748296.db2.gz	GKCCLJOLDICOKM-LJQANCHMSA-N	0	3	311.429	2.587	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)COc2ccc(C#N)cc2)c1	ZINC000047452816	398750539	/nfs/dbraw/zinc/75/05/39/398750539.db2.gz	QIMSYNJZUZVKOZ-UHFFFAOYSA-N	0	3	309.369	2.637	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCN1CC	ZINC000074496345	398750544	/nfs/dbraw/zinc/75/05/44/398750544.db2.gz	WBMWDDRANSEIDB-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C(C)C	ZINC000047633763	398755913	/nfs/dbraw/zinc/75/59/13/398755913.db2.gz	YSHSOVAHHUWHFI-ZDUSSCGKSA-N	0	3	321.377	2.616	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccc(N3CCCC3)nc2)cc1	ZINC000133043846	283138126	/nfs/dbraw/zinc/13/81/26/283138126.db2.gz	VKMMYOQRQXKTPR-UHFFFAOYSA-N	0	3	322.412	2.722	20	30		DFEDHN
N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1	ZINC000594195977	398763113	/nfs/dbraw/zinc/76/31/13/398763113.db2.gz	JRPIIJIHUHCOBV-CVEARBPZSA-N	0	3	317.820	2.958	20	30		DFEDHN
CN(CCc1ccccc1)[C@H]1CCN(C(=O)CC(C)(C)C#N)C1	ZINC000598194315	398767076	/nfs/dbraw/zinc/76/70/76/398767076.db2.gz	FIRFCZVIRHEVTL-KRWDZBQOSA-N	0	3	313.445	2.702	20	30		DFEDHN
CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CC(C)(C)C#N)C1	ZINC000598194316	398766984	/nfs/dbraw/zinc/76/69/84/398766984.db2.gz	FIRFCZVIRHEVTL-QGZVFWFLSA-N	0	3	313.445	2.702	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC[C@@H]1C	ZINC000594234368	398770619	/nfs/dbraw/zinc/77/06/19/398770619.db2.gz	LLTWBTDHJJUYAC-CVEARBPZSA-N	0	3	313.445	2.727	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC[C@H]1C	ZINC000594234370	398770686	/nfs/dbraw/zinc/77/06/86/398770686.db2.gz	LLTWBTDHJJUYAC-HZPDHXFCSA-N	0	3	313.445	2.727	20	30		DFEDHN
Cn1ncc(C2CC2)c1CNC(=O)C(C#N)CCc1ccccc1	ZINC000598209826	398769952	/nfs/dbraw/zinc/76/99/52/398769952.db2.gz	BLUSVFJSMYCRMU-MRXNPFEDSA-N	0	3	322.412	2.686	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)O1	ZINC000598216050	398772127	/nfs/dbraw/zinc/77/21/27/398772127.db2.gz	YBZRICLVYTUCQR-OIISXLGYSA-N	0	3	300.402	2.833	20	30		DFEDHN
N#Cc1cscc1C(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000598218013	398772694	/nfs/dbraw/zinc/77/26/94/398772694.db2.gz	CFPCJFOTWCUCRU-ZDUSSCGKSA-N	0	3	303.431	2.757	20	30		DFEDHN
N#CC1CCC(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1	ZINC000594241579	398772962	/nfs/dbraw/zinc/77/29/62/398772962.db2.gz	DEPQAPZBGPNAKQ-BACDZXNISA-N	0	3	318.465	2.632	20	30		DFEDHN
N#C[C@]1(C(=O)NCC2(c3ccccc3)CCCCC2)CCNC1	ZINC000591598356	398775388	/nfs/dbraw/zinc/77/53/88/398775388.db2.gz	VFTZMRUNWPDQRO-LJQANCHMSA-N	0	3	311.429	2.508	20	30		DFEDHN
CC(C)(CCCc1ccccc1)CNC(=O)[C@]1(C#N)CCNC1	ZINC000591613743	398775837	/nfs/dbraw/zinc/77/58/37/398775837.db2.gz	BSAHCMQIDLPSSK-IBGZPJMESA-N	0	3	313.445	2.655	20	30		DFEDHN
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@]2(C#N)CCNC2)cc1	ZINC000591607118	398775883	/nfs/dbraw/zinc/77/58/83/398775883.db2.gz	CHQYXOFOGRKWEX-DYVFJYSZSA-N	0	3	317.458	2.868	20	30		DFEDHN
Cc1cccc(-c2cccc(CNC(=O)[C@]3(C#N)CCNC3)c2)c1	ZINC000591609255	398776077	/nfs/dbraw/zinc/77/60/77/398776077.db2.gz	YFTIBDQQXWZDMR-FQEVSTJZSA-N	0	3	319.408	2.782	20	30		DFEDHN
Cc1ccc(NC(=O)[C@@]2(C#N)CCNC2)cc1OCCC(C)C	ZINC000591614254	398776224	/nfs/dbraw/zinc/77/62/24/398776224.db2.gz	OUNZAWXQPBYAMP-GOSISDBHSA-N	0	3	315.417	2.862	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)[C@]2(C#N)CCNC2)cc1Cl	ZINC000591593577	398774745	/nfs/dbraw/zinc/77/47/45/398774745.db2.gz	DIVXMARWQIQWOE-HNNXBMFYSA-N	0	3	307.781	2.569	20	30		DFEDHN
N#C[C@@]1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCNC1	ZINC000591616897	398777029	/nfs/dbraw/zinc/77/70/29/398777029.db2.gz	WSIRMTKWRRRCNT-SFHVURJKSA-N	0	3	313.401	2.588	20	30		DFEDHN
CCN1CCC(n2nccc2NC(=O)C#Cc2ccccc2)CC1	ZINC000081653984	192307309	/nfs/dbraw/zinc/30/73/09/192307309.db2.gz	RKIFFXKOIDXSJT-UHFFFAOYSA-N	0	3	322.412	2.530	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](O)CNCc1cccc(C#N)c1	ZINC000048367679	398782405	/nfs/dbraw/zinc/78/24/05/398782405.db2.gz	PKWDVHUNSUYZIP-GOSISDBHSA-N	0	3	310.397	2.705	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CN[C@@H]2CCc3cc(C#N)ccc32)cc1	ZINC000591763692	398785481	/nfs/dbraw/zinc/78/54/81/398785481.db2.gz	CEHLXABTASRVQQ-FXAWDEMLSA-N	0	3	322.408	2.884	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1	ZINC000594341774	398785173	/nfs/dbraw/zinc/78/51/73/398785173.db2.gz	XJEFSACRQALTGN-MAUKXSAKSA-N	0	3	313.445	2.726	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CNCC(C)(C)CC#N	ZINC000591770198	398786182	/nfs/dbraw/zinc/78/61/82/398786182.db2.gz	GNRJIAAEBUAAHW-INIZCTEOSA-N	0	3	302.418	2.684	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C1CCCC1)C2	ZINC000594400708	398792529	/nfs/dbraw/zinc/79/25/29/398792529.db2.gz	VHKOFPZMWDJRMK-SFHVURJKSA-N	0	3	309.413	2.807	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1c1ncc2c(c1C#N)CCC2	ZINC000591821058	398792002	/nfs/dbraw/zinc/79/20/02/398792002.db2.gz	IEVZGDMTSMWYNK-HOTGVXAUSA-N	0	3	310.445	2.895	20	30		DFEDHN
N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C1CCCC1)C2	ZINC000594400707	398792298	/nfs/dbraw/zinc/79/22/98/398792298.db2.gz	VHKOFPZMWDJRMK-GOSISDBHSA-N	0	3	309.413	2.807	20	30		DFEDHN
N#Cc1cc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccn1	ZINC000591851963	398795363	/nfs/dbraw/zinc/79/53/63/398795363.db2.gz	YBXUTHZINGAZQY-AZUAARDMSA-N	0	3	318.424	2.660	20	30		DFEDHN
COc1ccc(Cl)cc1CN(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594426158	398797726	/nfs/dbraw/zinc/79/77/26/398797726.db2.gz	POUCYJIANOHXCN-AWEZNQCLSA-N	0	3	323.824	2.718	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000594427202	398798683	/nfs/dbraw/zinc/79/86/83/398798683.db2.gz	GUYBLFRUKAIUKY-CYBMUJFWSA-N	0	3	313.323	2.733	20	30		DFEDHN
CC(C)(CCNC(=O)[C@@H](N)CCCCC#N)c1ccccc1	ZINC000594431184	398799475	/nfs/dbraw/zinc/79/94/75/398799475.db2.gz	JJRYTHDCCVNCMN-INIZCTEOSA-N	0	3	301.434	2.882	20	30		DFEDHN
Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@H](N)CCCCC#N	ZINC000594431451	398799649	/nfs/dbraw/zinc/79/96/49/398799649.db2.gz	MZPZSXGSLCOTIZ-HOTGVXAUSA-N	0	3	317.433	2.598	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1	ZINC000594431241	398799794	/nfs/dbraw/zinc/79/97/94/398799794.db2.gz	JZRLMRPQRDMDSF-HNNXBMFYSA-N	0	3	303.381	2.732	20	30		DFEDHN
CC(C)[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1	ZINC000594429560	398799860	/nfs/dbraw/zinc/79/98/60/398799860.db2.gz	UCYGNNQMYSXMAM-IRXDYDNUSA-N	0	3	301.434	2.954	20	30		DFEDHN
COc1ccc([C@H](C)CCNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594433646	398800312	/nfs/dbraw/zinc/80/03/12/398800312.db2.gz	QCKLDTUSNKHRRS-PBHICJAKSA-N	0	3	317.433	2.716	20	30		DFEDHN
Cc1ccccc1C(C)(C)CNC(=O)[C@H](N)CCCCC#N	ZINC000594431687	398800342	/nfs/dbraw/zinc/80/03/42/398800342.db2.gz	PRQYGIRDQMNUIE-MRXNPFEDSA-N	0	3	301.434	2.800	20	30		DFEDHN
Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594432481	398800160	/nfs/dbraw/zinc/80/01/60/398800160.db2.gz	BCFXSMFYGMXNJS-AWEZNQCLSA-N	0	3	317.437	2.818	20	30		DFEDHN
CSc1cc(C)ccc1CNC(=O)[C@H](N)CCCCC#N	ZINC000594433091	398800254	/nfs/dbraw/zinc/80/02/54/398800254.db2.gz	LEGPHSNRIMXALK-CQSZACIVSA-N	0	3	305.447	2.744	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594432930	398800595	/nfs/dbraw/zinc/80/05/95/398800595.db2.gz	HIDSHFPZVWCELL-SJORKVTESA-N	0	3	301.434	2.877	20	30		DFEDHN
CO[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594433303	398800526	/nfs/dbraw/zinc/80/05/26/398800526.db2.gz	NNBSTXRESUCACB-HUUCEWRRSA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N1CCc2c(Cl)cccc2C1	ZINC000594434897	398801123	/nfs/dbraw/zinc/80/11/23/398801123.db2.gz	VWOJTDKUJLPMRG-OAHLLOKOSA-N	0	3	305.809	2.636	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1	ZINC000594435190	398801152	/nfs/dbraw/zinc/80/11/52/398801152.db2.gz	BEGMQFOGNSDNFM-MRXNPFEDSA-N	0	3	317.408	2.775	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1cccc(F)c1	ZINC000594434439	398801230	/nfs/dbraw/zinc/80/12/30/398801230.db2.gz	ZHTYHOHNLWCVOD-HOCLYGCPSA-N	0	3	321.396	2.511	20	30		DFEDHN
C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Oc1ccc(Cl)cc1	ZINC000594434196	398801242	/nfs/dbraw/zinc/80/12/42/398801242.db2.gz	XRRRFCMTIXOXLM-WFASDCNBSA-N	0	3	323.824	2.635	20	30		DFEDHN
Cc1cc(N(C)C)cc(C)c1NC(=O)[C@@H](N)CCCCC#N	ZINC000594436796	398802476	/nfs/dbraw/zinc/80/24/76/398802476.db2.gz	JFNSTWSFYIOWPG-HNNXBMFYSA-N	0	3	302.422	2.719	20	30		DFEDHN
CN(C(=O)[C@H](N)CCCCC#N)C1C2CC3CC(C2)CC1C3	ZINC000594437473	398802602	/nfs/dbraw/zinc/80/26/02/398802602.db2.gz	WDCYPAWMNFBOQG-OBYDGYHJSA-N	0	3	303.450	2.681	20	30		DFEDHN
C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594442300	398803093	/nfs/dbraw/zinc/80/30/93/398803093.db2.gz	CHGBRPXIXYOLRT-WBMJQRKESA-N	0	3	303.381	2.683	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2cc(F)ccc21	ZINC000594444163	398804100	/nfs/dbraw/zinc/80/41/00/398804100.db2.gz	YKFOIGXCEMYFNH-JKSUJKDBSA-N	0	3	303.381	2.731	20	30		DFEDHN
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H](N)CCCCC#N	ZINC000594445885	398804520	/nfs/dbraw/zinc/80/45/20/398804520.db2.gz	MZLJDYPACUYJEF-BDJLRTHQSA-N	0	3	321.371	2.822	20	30		DFEDHN
CO[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl	ZINC000594446493	398804569	/nfs/dbraw/zinc/80/45/69/398804569.db2.gz	ULXXSLUUPLWFMQ-LSDHHAIUSA-N	0	3	323.824	2.555	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@H]1CCCc2cc(F)ccc21	ZINC000594444161	398803874	/nfs/dbraw/zinc/80/38/74/398803874.db2.gz	YKFOIGXCEMYFNH-HOTGVXAUSA-N	0	3	303.381	2.731	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000594450241	398805302	/nfs/dbraw/zinc/80/53/02/398805302.db2.gz	VPAPXBUYQZRAQR-SDDRHHMPSA-N	0	3	305.344	2.635	20	30		DFEDHN
Cc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F)o1	ZINC000594452959	398805731	/nfs/dbraw/zinc/80/57/31/398805731.db2.gz	YHDOXKAJKDWEHB-JQWIXIFHSA-N	0	3	317.311	2.719	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1nc(-c2ccccn2)cs1	ZINC000594445715	398804832	/nfs/dbraw/zinc/80/48/32/398804832.db2.gz	KNNCGKVKLPGJFV-NSHDSACASA-N	0	3	315.402	2.555	20	30		DFEDHN
CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc([N+](=O)[O-])c1	ZINC000594445535	398804840	/nfs/dbraw/zinc/80/48/40/398804840.db2.gz	HCCZVGBVJDKIKM-LSDHHAIUSA-N	0	3	318.377	2.573	20	30		DFEDHN
C[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)CCc2ccc(F)cc21	ZINC000594453167	398805943	/nfs/dbraw/zinc/80/59/43/398805943.db2.gz	LAHTUWZUHXBJPQ-GUYCJALGSA-N	0	3	317.408	2.725	20	30		DFEDHN
C[C@]1(C#N)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1	ZINC000598414199	398808787	/nfs/dbraw/zinc/80/87/87/398808787.db2.gz	AKJDJRHIKJARBS-LJQANCHMSA-N	0	3	311.429	2.661	20	30		DFEDHN
CC(C)(C#N)c1ccc(CNCCOC[C@@H]2CCOC2)cc1	ZINC000594502219	398811572	/nfs/dbraw/zinc/81/15/72/398811572.db2.gz	KIUZJDQKOPQXLU-MRXNPFEDSA-N	0	3	302.418	2.630	20	30		DFEDHN
C[C@H](NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F	ZINC000594509566	398812488	/nfs/dbraw/zinc/81/24/88/398812488.db2.gz	JSUDFRQFSFZYTC-XQLPTFJDSA-N	0	3	319.424	2.846	20	30		DFEDHN
COC(=O)c1cc(CNC2(c3ccc(C#N)cc3)CCC2)cn1C	ZINC000594520863	398815509	/nfs/dbraw/zinc/81/55/09/398815509.db2.gz	QNHUGQIMDCNGCO-UHFFFAOYSA-N	0	3	323.396	2.852	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1	ZINC000075652268	398815573	/nfs/dbraw/zinc/81/55/73/398815573.db2.gz	OOVIRAOWQCEZCI-HNNXBMFYSA-N	0	3	302.418	2.856	20	30		DFEDHN
COCC1(NCc2ccc(C(C)(C)C#N)cc2)CCOCC1	ZINC000594521432	398816170	/nfs/dbraw/zinc/81/61/70/398816170.db2.gz	REAPZYLDMJRVGM-UHFFFAOYSA-N	0	3	302.418	2.773	20	30		DFEDHN
CC(C)OC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000075715134	398819520	/nfs/dbraw/zinc/81/95/20/398819520.db2.gz	DOKVQSFBYZSLPQ-UHFFFAOYSA-N	0	3	316.401	2.743	20	30		DFEDHN
CCCN(CCOC[C@@H]1CCCO1)Cc1ccc(C#N)cc1	ZINC000152162797	283312328	/nfs/dbraw/zinc/31/23/28/283312328.db2.gz	HGCTVSGLWNAAJS-SFHVURJKSA-N	0	3	302.418	2.966	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1	ZINC000179856673	199089343	/nfs/dbraw/zinc/08/93/43/199089343.db2.gz	CWCTWSWQYMUZOJ-LLVKDONJSA-N	0	3	321.808	2.555	20	30		DFEDHN
CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1	ZINC000594593428	398826189	/nfs/dbraw/zinc/82/61/89/398826189.db2.gz	COQLDEQLHGWVHF-UHFFFAOYSA-N	0	3	302.378	2.777	20	30		DFEDHN
N#Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-]	ZINC000594602745	398829433	/nfs/dbraw/zinc/82/94/33/398829433.db2.gz	SECLBQTVBIKWIU-GJZGRUSLSA-N	0	3	300.362	2.895	20	30		DFEDHN
Cc1cnc(OC2CCN(CC(C)(C)CCC#N)CC2)nc1	ZINC000594612872	398832862	/nfs/dbraw/zinc/83/28/62/398832862.db2.gz	NWNRXJVVNKZLDM-UHFFFAOYSA-N	0	3	302.422	2.958	20	30		DFEDHN
CCOCCN(CC)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000179997905	199104891	/nfs/dbraw/zinc/10/48/91/199104891.db2.gz	SXZBZSXSTHBLRW-UHFFFAOYSA-N	0	3	312.417	2.817	20	30		DFEDHN
CC[C@@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1ccccc1F	ZINC000594611570	398831918	/nfs/dbraw/zinc/83/19/18/398831918.db2.gz	ACLZLFIQQMIWAP-MLGOLLRUSA-N	0	3	313.380	2.676	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)[C@H](C)c1nc2ccccc2s1	ZINC000180030398	199109597	/nfs/dbraw/zinc/10/95/97/199109597.db2.gz	BUWNQJQAWAYXIB-RYUDHWBXSA-N	0	3	303.431	2.680	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN(CC1CCCCC1)C1CC1)C1CC1	ZINC000052244900	398836995	/nfs/dbraw/zinc/83/69/95/398836995.db2.gz	XPARPURTDFWLNA-SFHVURJKSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)CC(C)(C)C#N	ZINC000598591073	398836996	/nfs/dbraw/zinc/83/69/96/398836996.db2.gz	ZEUMYWHCVACALT-AWEZNQCLSA-N	0	3	304.390	2.538	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000598594046	398837711	/nfs/dbraw/zinc/83/77/11/398837711.db2.gz	FMPRTTILTIQUPR-MRXNPFEDSA-N	0	3	317.389	2.860	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](Oc2ccccc2)C1	ZINC000598591888	398837820	/nfs/dbraw/zinc/83/78/20/398837820.db2.gz	FAGVKNHELPPJAM-DOTOQJQBSA-N	0	3	302.418	2.831	20	30		DFEDHN
CC(=O)Nc1cccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c1	ZINC000598603739	398840068	/nfs/dbraw/zinc/84/00/68/398840068.db2.gz	ZROLKMDJTKEPLP-MLGOLLRUSA-N	0	3	303.406	2.596	20	30		DFEDHN
Cc1cnc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)s1	ZINC000598607638	398840618	/nfs/dbraw/zinc/84/06/18/398840618.db2.gz	BWPQGYUCVFAKBG-CQSZACIVSA-N	0	3	307.463	2.932	20	30		DFEDHN
COc1cccc([C@]2(C)CCN(C[C@H](O)CC(C)(C)C#N)C2)c1	ZINC000598628673	398843236	/nfs/dbraw/zinc/84/32/36/398843236.db2.gz	XYENXKVWLNFCTM-VQIMIIECSA-N	0	3	316.445	2.959	20	30		DFEDHN
COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000598614064	398841336	/nfs/dbraw/zinc/84/13/36/398841336.db2.gz	NMIFSUQZKNTLQA-CABCVRRESA-N	0	3	310.825	2.918	20	30		DFEDHN
C[C@H](NC[C@@H](O)CC(C)(C)C#N)[C@@H]1OCCc2sccc21	ZINC000598618267	398841745	/nfs/dbraw/zinc/84/17/45/398841745.db2.gz	NSHDZVQLVXJYIT-HUBLWGQQSA-N	0	3	308.447	2.641	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000598617806	398842275	/nfs/dbraw/zinc/84/22/75/398842275.db2.gz	VUNFPHHWRLKTSH-OAHLLOKOSA-N	0	3	319.424	2.639	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CNC[C@@H](c1ccco1)N1CCCCC1	ZINC000598703113	398858224	/nfs/dbraw/zinc/85/82/24/398858224.db2.gz	CKENYWDUPWHZGO-CVEARBPZSA-N	0	3	319.449	2.697	20	30		DFEDHN
CC[C@@H](C)Oc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccn1	ZINC000598725267	398862070	/nfs/dbraw/zinc/86/20/70/398862070.db2.gz	WUNFNFKHDXVVDN-HIFRSBDPSA-N	0	3	305.422	2.649	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2c(F)cccc21	ZINC000598723094	398862185	/nfs/dbraw/zinc/86/21/85/398862185.db2.gz	DRDUUGAWLYKFDD-IUODEOHRSA-N	0	3	306.381	2.930	20	30		DFEDHN
N#CC1(c2ccc(CN[C@H]3c4ccccc4C[C@@H]3O)cc2)CC1	ZINC000594931723	398875178	/nfs/dbraw/zinc/87/51/78/398875178.db2.gz	HGIPUPQEFTXMNP-OALUTQOASA-N	0	3	304.393	2.990	20	30		DFEDHN
N#Cc1ccnc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1	ZINC000598809252	398876603	/nfs/dbraw/zinc/87/66/03/398876603.db2.gz	XGACYWZTPCZNAW-MRXNPFEDSA-N	0	3	318.380	2.578	20	30		DFEDHN
C=CCCSCCNCc1ccc2c(c1)sc(=O)n2C	ZINC000594960594	398881754	/nfs/dbraw/zinc/88/17/54/398881754.db2.gz	VGQOUMAHFBKDJB-UHFFFAOYSA-N	0	3	308.472	2.999	20	30		DFEDHN
CC(C)n1cc([C@@H]2OCC[C@H]2NCc2cccc(C#N)c2)cn1	ZINC000594950661	398879686	/nfs/dbraw/zinc/87/96/86/398879686.db2.gz	MUMXOKSZGUHXMJ-MSOLQXFVSA-N	0	3	310.401	2.955	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1C	ZINC000139622101	398884313	/nfs/dbraw/zinc/88/43/13/398884313.db2.gz	WDGXGPIPSNFEIS-KRWDZBQOSA-N	0	3	314.433	2.574	20	30		DFEDHN
Cc1cc(C)c(C#N)c(NC(=O)C2Oc3ccccc3O[C@H]2C)n1	ZINC000598854404	398884453	/nfs/dbraw/zinc/88/44/53/398884453.db2.gz	RNVBIPOQWDUDNM-LRDDRELGSA-N	0	3	323.352	2.737	20	30		DFEDHN
C=CCCSCCNCc1ccc(-n2cncn2)c(F)c1	ZINC000594959916	398881951	/nfs/dbraw/zinc/88/19/51/398881951.db2.gz	FVJLECPKRYNJNW-UHFFFAOYSA-N	0	3	306.410	2.805	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC	ZINC000595043539	398897321	/nfs/dbraw/zinc/89/73/21/398897321.db2.gz	GYJZJLSOFADELX-XUJVJEKNSA-N	0	3	306.362	2.845	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@H]1CCN1C1CCCCC1	ZINC000598978097	398901928	/nfs/dbraw/zinc/90/19/28/398901928.db2.gz	JRQSHDWQEZPRKJ-OAHLLOKOSA-N	0	3	311.495	2.612	20	30		DFEDHN
COC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1	ZINC000595069107	398902041	/nfs/dbraw/zinc/90/20/41/398902041.db2.gz	MASSARMNTRFJSN-YVEFUNNKSA-N	0	3	306.381	2.790	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)C1	ZINC000054538286	398902611	/nfs/dbraw/zinc/90/26/11/398902611.db2.gz	DIMAIVHNEXMJHH-AWEZNQCLSA-N	0	3	316.405	2.561	20	30		DFEDHN
C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000054719251	398907723	/nfs/dbraw/zinc/90/77/23/398907723.db2.gz	YDRIXIZJEUFECK-VYDXJSESSA-N	0	3	314.433	2.623	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cnc2c(F)cccc2c1	ZINC000595254934	398913461	/nfs/dbraw/zinc/91/34/61/398913461.db2.gz	DZCFEMOXSBSBSZ-AWEZNQCLSA-N	0	3	300.337	2.724	20	30		DFEDHN
C=CC(C)(C)CCNC(=O)NCC1(SC)CCN(C)CC1	ZINC000599064144	398915867	/nfs/dbraw/zinc/91/58/67/398915867.db2.gz	BYDZHVLLDDVPHY-UHFFFAOYSA-N	0	3	313.511	2.715	20	30		DFEDHN
CC(C)(CC#N)CNC(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000599073590	398917436	/nfs/dbraw/zinc/91/74/36/398917436.db2.gz	LLJJAMIWEHYNPP-HNNXBMFYSA-N	0	3	306.454	2.632	20	30		DFEDHN
N#Cc1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)ccc1F	ZINC000188161094	200202499	/nfs/dbraw/zinc/20/24/99/200202499.db2.gz	NNFUGWCQRBWRBB-HOTGVXAUSA-N	0	3	316.401	2.967	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H](O)C1	ZINC000595296905	398918858	/nfs/dbraw/zinc/91/88/58/398918858.db2.gz	NQYWNUSCLQVQIF-ROUUACIJSA-N	0	3	302.418	2.558	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCN(C2CCC2)C1=O	ZINC000599093002	398920074	/nfs/dbraw/zinc/92/00/74/398920074.db2.gz	LSISTVMAKJEVEG-ZWKOTPCHSA-N	0	3	309.413	2.679	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCN(C2CCC2)C1=O	ZINC000599093001	398920211	/nfs/dbraw/zinc/92/02/11/398920211.db2.gz	LSISTVMAKJEVEG-ROUUACIJSA-N	0	3	309.413	2.679	20	30		DFEDHN
C=CCCOCCNCc1cnn(Cc2ccc(F)cc2)c1	ZINC000189365972	200387974	/nfs/dbraw/zinc/38/79/74/200387974.db2.gz	XKCUEALEHUOJSH-UHFFFAOYSA-N	0	3	303.381	2.753	20	30		DFEDHN
N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)c1	ZINC000599163047	398931651	/nfs/dbraw/zinc/93/16/51/398931651.db2.gz	AIAROTZOGQMWRX-AWEZNQCLSA-N	0	3	300.362	2.895	20	30		DFEDHN
C[C@@H](NCCc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC000595433996	398937524	/nfs/dbraw/zinc/93/75/24/398937524.db2.gz	REOCDPLUTNZRPV-CQSZACIVSA-N	0	3	309.417	2.769	20	30		DFEDHN
CCN(Cc1cccs1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599252954	398943176	/nfs/dbraw/zinc/94/31/76/398943176.db2.gz	ACGCAMPLLSBTMA-CQSZACIVSA-N	0	3	308.447	2.641	20	30		DFEDHN
C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599251815	398943330	/nfs/dbraw/zinc/94/33/30/398943330.db2.gz	YRUYNUHWADUJOJ-YOEHRIQHSA-N	0	3	320.408	2.890	20	30		DFEDHN
CN(Cc1ccccc1N1CCCC1)C[C@@H](O)CC1(C#N)CC1	ZINC000599249781	398942546	/nfs/dbraw/zinc/94/25/46/398942546.db2.gz	ZNJRPCGJEHVCAI-KRWDZBQOSA-N	0	3	313.445	2.773	20	30		DFEDHN
CN(Cc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599261056	398944055	/nfs/dbraw/zinc/94/40/55/398944055.db2.gz	LKIANUAGIKJBIR-INIZCTEOSA-N	0	3	322.836	2.843	20	30		DFEDHN
CN(Cc1ccc(Cl)cc1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599260967	398944240	/nfs/dbraw/zinc/94/42/40/398944240.db2.gz	MSRXQXDHDXOZRQ-MRXNPFEDSA-N	0	3	322.836	2.843	20	30		DFEDHN
Cc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1C#N	ZINC000599287672	398948382	/nfs/dbraw/zinc/94/83/82/398948382.db2.gz	NNFQAPGLVBYERN-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000595479061	398947079	/nfs/dbraw/zinc/94/70/79/398947079.db2.gz	JSQXQQGDUXMASW-CEXWTWQISA-N	0	3	314.429	2.617	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000595492863	398949593	/nfs/dbraw/zinc/94/95/93/398949593.db2.gz	OLHAWKOSJKILAN-CABCVRRESA-N	0	3	312.335	2.593	20	30		DFEDHN
CO[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCC1	ZINC000595500249	398950964	/nfs/dbraw/zinc/95/09/64/398950964.db2.gz	CTPUNNGCUYXKNE-IAGOWNOFSA-N	0	3	315.417	2.612	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CCOCc3ccccc3)C2)nc1	ZINC000595502129	398951080	/nfs/dbraw/zinc/95/10/80/398951080.db2.gz	PLVODYATBLGNPE-SFHVURJKSA-N	0	3	323.396	2.623	20	30		DFEDHN
C[C@@H](c1ccco1)N(C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599341018	398956506	/nfs/dbraw/zinc/95/65/06/398956506.db2.gz	JCBLXQXRZNSHGF-HOCLYGCPSA-N	0	3	318.417	2.876	20	30		DFEDHN
COc1cc(C)c([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1OC	ZINC000599346757	398957712	/nfs/dbraw/zinc/95/77/12/398957712.db2.gz	DOOSJXHOOLSJEF-KBPBESRZSA-N	0	3	318.417	2.718	20	30		DFEDHN
C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cc(F)ccc1F	ZINC000599346753	398957939	/nfs/dbraw/zinc/95/79/39/398957939.db2.gz	DNMKCUHNHHUETF-OCCSQVGLSA-N	0	3	324.371	2.687	20	30		DFEDHN
CC(C)(NC[C@H](O)COc1ccccc1C#N)c1cccs1	ZINC000599363035	398962669	/nfs/dbraw/zinc/96/26/69/398962669.db2.gz	NXPDHQPHEZDLGH-AWEZNQCLSA-N	0	3	316.426	2.884	20	30		DFEDHN
C=CCCSCCNC(=O)NC[C@H](C)N1CCC(C)CC1	ZINC000595547503	398965487	/nfs/dbraw/zinc/96/54/87/398965487.db2.gz	PXNRPWZIAANXQK-HNNXBMFYSA-N	0	3	313.511	2.715	20	30		DFEDHN
C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Br)cn1	ZINC000599390091	398970925	/nfs/dbraw/zinc/97/09/25/398970925.db2.gz	DTCYEVXVHIHEJG-CMPLNLGQSA-N	0	3	324.222	2.549	20	30		DFEDHN
Cc1cccc(C(=O)NCCN[C@H](C)c2cccc(C#N)c2)c1	ZINC000271875080	209285756	/nfs/dbraw/zinc/28/57/56/209285756.db2.gz	NXYOPDRJSMRUSB-OAHLLOKOSA-N	0	3	307.397	2.947	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2ccnc(C#N)c2)N(C)C)cc1	ZINC000195078955	201335526	/nfs/dbraw/zinc/33/55/26/201335526.db2.gz	FAPQAHLFYJMGKA-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
Cc1cc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c(C)o1	ZINC000195269252	201369335	/nfs/dbraw/zinc/36/93/35/201369335.db2.gz	HZBNYBJUAWTRIZ-XJKSGUPXSA-N	0	3	314.385	2.859	20	30		DFEDHN
N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1	ZINC000595609726	398997439	/nfs/dbraw/zinc/99/74/39/398997439.db2.gz	OHHOUTVBBHNMAW-DZGCQCFKSA-N	0	3	308.809	2.705	20	30		DFEDHN
CCc1cc(C#N)c(NC(=O)C2CCN(C3CC3)CC2)s1	ZINC000195372887	201385945	/nfs/dbraw/zinc/38/59/45/201385945.db2.gz	NIJNCTHULLFWPY-UHFFFAOYSA-N	0	3	303.431	2.995	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)C1(F)F	ZINC000599512871	399000477	/nfs/dbraw/zinc/00/04/77/399000477.db2.gz	OQJOXGVCZVKWJN-VNHYZAJKSA-N	0	3	324.371	2.521	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NCC1(N(C)C)CCC1	ZINC000275580767	212424261	/nfs/dbraw/zinc/42/42/61/212424261.db2.gz	DMPXRYHUPAJIJK-UHFFFAOYSA-N	0	3	305.422	2.504	20	30		DFEDHN
N#CC[C@H]1CCCN(C/C=C\CN2CCC[C@@H](CC#N)C2)C1	ZINC000595620781	399006141	/nfs/dbraw/zinc/00/61/41/399006141.db2.gz	QSJKQLDZWMWVSF-OEHAVNEVSA-N	0	3	300.450	2.794	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@@H](CC#N)C2)C1	ZINC000595623394	399007828	/nfs/dbraw/zinc/00/78/28/399007828.db2.gz	OQSVOQMAGZCVLL-JKSUJKDBSA-N	0	3	305.466	2.897	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(C#N)cc2Cl)C1	ZINC000595631505	399012236	/nfs/dbraw/zinc/01/22/36/399012236.db2.gz	JHTDGKDXSZUUIL-UNEWFSDZSA-N	0	3	322.836	2.867	20	30		DFEDHN
Cn1cc(CN2CC[C@H](O)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1	ZINC000275442172	212334915	/nfs/dbraw/zinc/33/49/15/212334915.db2.gz	KMKNGJVALPDICL-KRWDZBQOSA-N	0	3	324.428	2.552	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccccc2N2CCCC2)CC1	ZINC000057154280	399018944	/nfs/dbraw/zinc/01/89/44/399018944.db2.gz	ZJQMRKYWOJJLDU-UHFFFAOYSA-N	0	3	311.429	2.571	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1	ZINC000057174413	399021240	/nfs/dbraw/zinc/02/12/40/399021240.db2.gz	COWDLRRDQSOCCX-UHFFFAOYSA-N	0	3	300.402	2.758	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12	ZINC000595655492	399022277	/nfs/dbraw/zinc/02/22/77/399022277.db2.gz	FFABFXLMFPGRGY-LSDHHAIUSA-N	0	3	311.495	2.612	20	30		DFEDHN
N#CC1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1	ZINC000595656135	399023404	/nfs/dbraw/zinc/02/34/04/399023404.db2.gz	OFSABKRDQVJFGG-HOTGVXAUSA-N	0	3	318.465	2.777	20	30		DFEDHN
Cc1ccc2c(c1)CN(C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000595658846	399023689	/nfs/dbraw/zinc/02/36/89/399023689.db2.gz	XEQHXXCPMPIIEF-IBGZPJMESA-N	0	3	322.408	2.665	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000595660523	399025194	/nfs/dbraw/zinc/02/51/94/399025194.db2.gz	UGHQJHNLSAMIBQ-GOSISDBHSA-N	0	3	314.429	2.810	20	30		DFEDHN
Cc1ccc(CN2CCC(C)(N3CCOCC3)CC2)cc1C#N	ZINC000599621526	399032381	/nfs/dbraw/zinc/03/23/81/399032381.db2.gz	DNURGSWQZOZJMS-UHFFFAOYSA-N	0	3	313.445	2.553	20	30		DFEDHN
N#C[C@H]1CCCC[C@@H]1NCCCOc1ccc2c(c1)OCO2	ZINC000595693100	399037947	/nfs/dbraw/zinc/03/79/47/399037947.db2.gz	RVZLPRIZGJFNLT-HIFRSBDPSA-N	0	3	302.374	2.856	20	30		DFEDHN
CC(C)[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1F	ZINC000595692696	399038325	/nfs/dbraw/zinc/03/83/25/399038325.db2.gz	QJJLPWMYXUBFBG-KRWDZBQOSA-N	0	3	305.397	2.875	20	30		DFEDHN
COc1cccc2c1OC[C@H](NCc1ccc(C#N)c(C)c1)C2	ZINC000618192328	399038957	/nfs/dbraw/zinc/03/89/57/399038957.db2.gz	JAQQXBWUPUSEIE-QGZVFWFLSA-N	0	3	308.381	2.969	20	30		DFEDHN
Cc1cc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)ccc1C#N	ZINC000618194609	399039876	/nfs/dbraw/zinc/03/98/76/399039876.db2.gz	HQZSLPBFXZPYOA-SFHVURJKSA-N	0	3	311.429	2.747	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000595695087	399039917	/nfs/dbraw/zinc/03/99/17/399039917.db2.gz	SHNUXPBKOMVBNS-JKSUJKDBSA-N	0	3	305.466	2.943	20	30		DFEDHN
CCC1(N2CCOCC2)CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000599663494	399052136	/nfs/dbraw/zinc/05/21/36/399052136.db2.gz	FNCBEAAWYRETRX-SFHVURJKSA-N	0	3	313.445	2.828	20	30		DFEDHN
COc1ccc([C@H]2CCN(C[C@@H](O)CC(C)(C)C#N)C2)cc1F	ZINC000599675795	399057407	/nfs/dbraw/zinc/05/74/07/399057407.db2.gz	OTOWDBQSYBRITC-GJZGRUSLSA-N	0	3	320.408	2.924	20	30		DFEDHN
N#Cc1ccc(-c2cc(N3CCN(CC4CCC4)CC3)n[nH]2)cc1	ZINC000595726811	399056992	/nfs/dbraw/zinc/05/69/92/399056992.db2.gz	RBDBXXAHFJEWAE-UHFFFAOYSA-N	0	3	321.428	2.870	20	30		DFEDHN
CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000275285805	212247269	/nfs/dbraw/zinc/24/72/69/212247269.db2.gz	LBJNVICOPGVJKG-FRFSOERESA-N	0	3	315.417	2.536	20	30		DFEDHN
N#CCc1cccc2c1CCN(C[C@H](O)Cc1ccccc1)C2	ZINC000599678597	399059108	/nfs/dbraw/zinc/05/91/08/399059108.db2.gz	WTZXSGLEUXCQBW-LJQANCHMSA-N	0	3	306.409	2.714	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000595732240	399061697	/nfs/dbraw/zinc/06/16/97/399061697.db2.gz	DRPGUHPMYDHNQH-FUHWJXTLSA-N	0	3	305.466	2.943	20	30		DFEDHN
CCC[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000079609423	399066007	/nfs/dbraw/zinc/06/60/07/399066007.db2.gz	PTJOATFIKCTVKU-MSOLQXFVSA-N	0	3	313.445	2.885	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N(C)CCN(C)C)c1ccc(F)c(F)c1	ZINC000275165822	212166245	/nfs/dbraw/zinc/16/62/45/212166245.db2.gz	VRDFPBAJMLAKMJ-HNNXBMFYSA-N	0	3	311.376	2.785	20	30		DFEDHN
CC#CCCCC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000618353661	399092249	/nfs/dbraw/zinc/09/22/49/399092249.db2.gz	LOMANFAXBNSBDF-LJQANCHMSA-N	0	3	312.457	2.955	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)NC1(c2ccccc2)CCC1	ZINC000563784418	335010517	/nfs/dbraw/zinc/01/05/17/335010517.db2.gz	SZDVLOIODXBHIZ-SJORKVTESA-N	0	3	314.429	2.505	20	30		DFEDHN
C=CC[C@@H](C(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1	ZINC000275108183	212124872	/nfs/dbraw/zinc/12/48/72/212124872.db2.gz	FLJZXXCYZHCCPU-AEFFLSMTSA-N	0	3	318.486	2.900	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000595840529	399107759	/nfs/dbraw/zinc/10/77/59/399107759.db2.gz	BYNKFNRRHLEMQO-WCVJEAGWSA-N	0	3	319.449	2.574	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC000595840707	399108476	/nfs/dbraw/zinc/10/84/76/399108476.db2.gz	CZKZAVXFPPNKEI-BMFZPTHFSA-N	0	3	313.401	2.906	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1CC1CCC1)C1CC1	ZINC000595866425	399117984	/nfs/dbraw/zinc/11/79/84/399117984.db2.gz	GYIXPYXMPSWMGI-AEFFLSMTSA-N	0	3	303.450	2.840	20	30		DFEDHN
CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCN(C)CC1	ZINC000599986673	399119577	/nfs/dbraw/zinc/11/95/77/399119577.db2.gz	XILVNDLIFRCIMX-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
CCCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1OC	ZINC000600715785	399121689	/nfs/dbraw/zinc/12/16/89/399121689.db2.gz	COSFZJDRIAPHFB-OAHLLOKOSA-N	0	3	318.417	2.628	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccnc(OC3CCCC3)c2)CC1	ZINC000600717382	399123041	/nfs/dbraw/zinc/12/30/41/399123041.db2.gz	LEJJWGQHCQFLAW-OAHLLOKOSA-N	0	3	315.417	2.547	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2ccccc2Br)CC1	ZINC000600718545	399123066	/nfs/dbraw/zinc/12/30/66/399123066.db2.gz	RIFRANMOHDHYQV-LBPRGKRZSA-N	0	3	309.207	2.593	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2cc(Br)cs2)CC1	ZINC000600717592	399123097	/nfs/dbraw/zinc/12/30/97/399123097.db2.gz	RGEVUWOKCAYCBQ-JTQLQIEISA-N	0	3	315.236	2.655	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1	ZINC000600720455	399124591	/nfs/dbraw/zinc/12/45/91/399124591.db2.gz	PQIYYLXPJCDEGI-YESZJQIVSA-N	0	3	318.392	2.690	20	30		DFEDHN
N#Cc1csc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000093705457	193295804	/nfs/dbraw/zinc/29/58/04/193295804.db2.gz	CZHOVDBMLAPILC-LXZKKBNFSA-N	0	3	301.459	2.926	20	30		DFEDHN
N#Cc1csc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1	ZINC000093705456	193296014	/nfs/dbraw/zinc/29/60/14/193296014.db2.gz	CZHOVDBMLAPILC-YSVLISHTSA-N	0	3	301.459	2.926	20	30		DFEDHN
Cc1ccc(CNC[C@H](O)CC2(C#N)CC2)c(OCC2CC2)c1	ZINC000600730280	399128182	/nfs/dbraw/zinc/12/81/82/399128182.db2.gz	KXZIOFHNFBCKLC-QGZVFWFLSA-N	0	3	314.429	2.928	20	30		DFEDHN
N#CC1(C[C@@H](O)CNC[C@@H](c2ccccc2)C(F)(F)F)CC1	ZINC000600733435	399128540	/nfs/dbraw/zinc/12/85/40/399128540.db2.gz	CVOVBFISLSTNOR-KGLIPLIRSA-N	0	3	312.335	2.977	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N[C@@H](C)CN1CCCCC1	ZINC000178577307	291488757	/nfs/dbraw/zinc/48/87/57/291488757.db2.gz	CYBJTURHUIREEC-ZDUSSCGKSA-N	0	3	300.406	2.863	20	30		DFEDHN
C=CCC[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1	ZINC000180039248	399132325	/nfs/dbraw/zinc/13/23/25/399132325.db2.gz	FEDULCCENPLCBS-NUJGCVRESA-N	0	3	316.445	2.919	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](c1ccccc1C)C(C)(C)C	ZINC000180090530	399132417	/nfs/dbraw/zinc/13/24/17/399132417.db2.gz	XOVPRTALWOJAFS-MRXNPFEDSA-N	0	3	317.433	2.684	20	30		DFEDHN
N#CC1(C[C@H](O)CNC[C@@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000600744197	399132663	/nfs/dbraw/zinc/13/26/63/399132663.db2.gz	AWHIEIWXTZKTMC-WCQYABFASA-N	0	3	320.355	2.521	20	30		DFEDHN
CC(C)[C@@H]1C[C@H](NC[C@@H](O)CN(C)CCC#N)c2ccccc21	ZINC000600761610	399138555	/nfs/dbraw/zinc/13/85/55/399138555.db2.gz	NDZNDZFLEIDBAZ-MNEFBYGVSA-N	0	3	315.461	2.667	20	30		DFEDHN
N#Cc1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)nc1	ZINC000264334439	203857497	/nfs/dbraw/zinc/85/74/97/203857497.db2.gz	XNBBHEVXDBBHDO-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C[C@@](Cc1ccccc1)(NC(=O)[C@H](N)CCCCC#N)C1CC1	ZINC000595977079	399144016	/nfs/dbraw/zinc/14/40/16/399144016.db2.gz	YWYAUQMLBSMGGF-MJGOQNOKSA-N	0	3	313.445	2.925	20	30		DFEDHN
CCC(CC)(CNC(=O)[C@@]1(C#N)CCNC1)c1ccc(F)cc1	ZINC000595985706	399144161	/nfs/dbraw/zinc/14/41/61/399144161.db2.gz	KVZYYDACXJYYJA-GOSISDBHSA-N	0	3	317.408	2.503	20	30		DFEDHN
CC1(C)C[C@]1(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1	ZINC000595987811	399144867	/nfs/dbraw/zinc/14/48/67/399144867.db2.gz	YAUVLKNLNLDZTP-APWZRJJASA-N	0	3	313.445	2.882	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000182667868	399147691	/nfs/dbraw/zinc/14/76/91/399147691.db2.gz	CXLYTUFMHPUOEB-GJZGRUSLSA-N	0	3	314.433	2.671	20	30		DFEDHN
N#Cc1ccc(Cl)cc1N1CCC(CN2CCOCC2)CC1	ZINC000264637986	204045548	/nfs/dbraw/zinc/04/55/48/204045548.db2.gz	LZGPGGQJILPVPH-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccsc1	ZINC000061362668	399154242	/nfs/dbraw/zinc/15/42/42/399154242.db2.gz	IDGUFKLRKGZGBK-WFASDCNBSA-N	0	3	302.399	2.710	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)/C=C/c1cccnc1)C(C)C	ZINC000264849864	204207375	/nfs/dbraw/zinc/20/73/75/204207375.db2.gz	BTVDFVCHXPPCDN-BBVFFXRHSA-N	0	3	313.445	2.910	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1	ZINC000183810064	399154992	/nfs/dbraw/zinc/15/49/92/399154992.db2.gz	LBPNEFIEPBRPIQ-UAGQMJEPSA-N	0	3	305.466	2.857	20	30		DFEDHN
C#CCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1	ZINC000264947684	204294911	/nfs/dbraw/zinc/29/49/11/204294911.db2.gz	JKBPZTUULDSESJ-OAHLLOKOSA-N	0	3	319.474	2.844	20	30		DFEDHN
CC(=O)NC[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1	ZINC000614161493	399166108	/nfs/dbraw/zinc/16/61/08/399166108.db2.gz	DYLYBKYPBCNCTK-QGZVFWFLSA-N	0	3	313.445	2.836	20	30		DFEDHN
Cn1cnnc1C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000614166052	399166643	/nfs/dbraw/zinc/16/66/43/399166643.db2.gz	VWBSBZKDRHLAPW-UHFFFAOYSA-N	0	3	323.444	2.996	20	30		DFEDHN
CCC(CC)(CNCc1ccc(C#N)c(OC)c1)C(=O)OC	ZINC000282482589	217028119	/nfs/dbraw/zinc/02/81/19/217028119.db2.gz	XAKFTPCWDNYQPE-UHFFFAOYSA-N	0	3	304.390	2.636	20	30		DFEDHN
CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C#N)c1ccccc1	ZINC000596086738	399168893	/nfs/dbraw/zinc/16/88/93/399168893.db2.gz	AQWYIIRHLHZOFP-IXDOHACOSA-N	0	3	314.433	2.671	20	30		DFEDHN
CC(C)(C#N)c1ccc(CN2CCSC[C@H]2CCO)cc1	ZINC000614171527	399169089	/nfs/dbraw/zinc/16/90/89/399169089.db2.gz	NLDZPYWTTKQXHL-MRXNPFEDSA-N	0	3	304.459	2.788	20	30		DFEDHN
CCc1nc(C#N)cc(N2CCN(C3CCC(C)CC3)CC2)n1	ZINC000596127934	399182859	/nfs/dbraw/zinc/18/28/59/399182859.db2.gz	DFAVWTZAYAJGMT-UHFFFAOYSA-N	0	3	313.449	2.611	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@H](N[C@H]3CCC34CCC4)C2=O)cc1	ZINC000282784417	217247739	/nfs/dbraw/zinc/24/77/39/217247739.db2.gz	PSCCBORJQRIYLD-IRXDYDNUSA-N	0	3	309.413	2.976	20	30		DFEDHN
COC(=O)c1cccc(OCCN(C)Cc2ccc(C#N)cc2)c1	ZINC000063495133	399191706	/nfs/dbraw/zinc/19/17/06/399191706.db2.gz	BBNASSMHTIVPAT-UHFFFAOYSA-N	0	3	324.380	2.856	20	30		DFEDHN
COc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1C#N	ZINC000266212991	205185930	/nfs/dbraw/zinc/18/59/30/205185930.db2.gz	OZNVFXGTIXEVEW-JTQLQIEISA-N	0	3	302.296	2.624	20	30		DFEDHN
COc1ccc(CNC[C@@](C)(O)c2cccs2)cc1C#N	ZINC000266185892	205167835	/nfs/dbraw/zinc/16/78/35/205167835.db2.gz	WVGAEZBTQUVIAE-MRXNPFEDSA-N	0	3	302.399	2.626	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1	ZINC000063754070	399207073	/nfs/dbraw/zinc/20/70/73/399207073.db2.gz	LPBCNFRRVOIHKF-IBGZPJMESA-N	0	3	310.397	2.740	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1	ZINC000601041277	399209132	/nfs/dbraw/zinc/20/91/32/399209132.db2.gz	XTDPYGQOZWCZSW-UHFFFAOYSA-N	0	3	321.352	2.504	20	30		DFEDHN
CCOc1c(Cl)cccc1CNC1CCN(CC#N)CC1	ZINC000618723877	399221957	/nfs/dbraw/zinc/22/19/57/399221957.db2.gz	SEJCOAFDQPWJDC-UHFFFAOYSA-N	0	3	307.825	2.816	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCc1ccccc1	ZINC000285280567	335022849	/nfs/dbraw/zinc/02/28/49/335022849.db2.gz	ZFEGCPGLGVZLFV-YLJYHZDGSA-N	0	3	320.436	2.916	20	30		DFEDHN
CCC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCN1CCOC	ZINC000614403382	399226606	/nfs/dbraw/zinc/22/66/06/399226606.db2.gz	WGVMTURUBLDDKZ-LJQANCHMSA-N	0	3	315.461	2.799	20	30		DFEDHN
N#Cc1ccc(OCCNCc2ccnn2CC2CCC2)cc1	ZINC000601108321	399229453	/nfs/dbraw/zinc/22/94/53/399229453.db2.gz	IDUJUVXHKVBQOW-UHFFFAOYSA-N	0	3	310.401	2.723	20	30		DFEDHN
COCCc1ncc(CNCCc2ccc(C#N)cc2)s1	ZINC000601131325	399236514	/nfs/dbraw/zinc/23/65/14/399236514.db2.gz	WRGCHHJJXKENLU-UHFFFAOYSA-N	0	3	301.415	2.536	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc(C#N)c2ccsc21	ZINC000601126543	399234730	/nfs/dbraw/zinc/23/47/30/399234730.db2.gz	SYNQWKRJROZDCZ-FZMZJTMJSA-N	0	3	300.431	2.944	20	30		DFEDHN
CS[C@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H]1N(C)C	ZINC000601134589	399237207	/nfs/dbraw/zinc/23/72/07/399237207.db2.gz	DVTQIZSWFVUSCE-OLZOCXBDSA-N	0	3	318.471	2.650	20	30		DFEDHN
Cn1ncc(Br)c1CNC1CCC(C)(C#N)CC1	ZINC000601144310	399240434	/nfs/dbraw/zinc/24/04/34/399240434.db2.gz	SGBKLUWDCOTBDY-UHFFFAOYSA-N	0	3	311.227	2.745	20	30		DFEDHN
N#Cc1cc(N2CCC[C@@H]2CN2CCCCC2)nc(C2CC2)n1	ZINC000601146775	399240585	/nfs/dbraw/zinc/24/05/85/399240585.db2.gz	BDVPWHNIBQTGIO-MRXNPFEDSA-N	0	3	311.433	2.680	20	30		DFEDHN
C[C@](CO)(Cc1ccccc1F)NCc1ccc(C#N)c(F)c1	ZINC000601152795	399242535	/nfs/dbraw/zinc/24/25/35/399242535.db2.gz	FZSCALQKDWFVFX-GOSISDBHSA-N	0	3	316.351	2.920	20	30		DFEDHN
N#Cc1cccc(CNCc2ccnc(N3CCSCC3)c2)c1	ZINC000601151948	399242643	/nfs/dbraw/zinc/24/26/43/399242643.db2.gz	IQPQUTHWSPPWFF-UHFFFAOYSA-N	0	3	324.453	2.796	20	30		DFEDHN
CC(C)[C@@H]1CN(c2ncc(C#N)c3ccsc32)CCN1C	ZINC000601156224	399243261	/nfs/dbraw/zinc/24/32/61/399243261.db2.gz	UKKJIKVLJXWLDV-AWEZNQCLSA-N	0	3	300.431	2.944	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC[C@H](Oc2ccccc2OC)C1	ZINC000286651587	335036573	/nfs/dbraw/zinc/03/65/73/335036573.db2.gz	ZJQZKPKENSXPFY-CVEARBPZSA-N	0	3	305.418	2.866	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@]2(C)c2ccccc2)CC1	ZINC000608438198	399263846	/nfs/dbraw/zinc/26/38/46/399263846.db2.gz	KPEMVKDHHIOHCY-PKOBYXMFSA-N	0	3	313.445	2.666	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)CC1	ZINC000608438197	399264044	/nfs/dbraw/zinc/26/40/44/399264044.db2.gz	KPEMVKDHHIOHCY-MJGOQNOKSA-N	0	3	313.445	2.666	20	30		DFEDHN
CCOC(=O)C(C)(C)CCC[C@@H](C)N1CCN(CCC#N)CC1	ZINC000601316545	399276495	/nfs/dbraw/zinc/27/64/95/399276495.db2.gz	MDMJBPHXFOEGAD-MRXNPFEDSA-N	0	3	323.481	2.666	20	30		DFEDHN
COc1cc(OC)cc(C(=O)C(C#N)c2nc(C)cs2)c1	ZINC000041520061	183196436	/nfs/dbraw/zinc/19/64/36/183196436.db2.gz	QDKGQMRCIIIUIE-ZDUSSCGKSA-N	0	3	302.355	2.959	20	30		DFEDHN
C[C@@H]1CN(C(=O)c2ccccc2CC#N)CCN(C2CCC2)C1	ZINC000601594356	399305450	/nfs/dbraw/zinc/30/54/50/399305450.db2.gz	BAQXWVOJWQROND-HNNXBMFYSA-N	0	3	311.429	2.699	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1cc2ccccc2n1CC#N	ZINC000609163455	399307237	/nfs/dbraw/zinc/30/72/37/399307237.db2.gz	MCHYCFRGGSJYPE-OAHLLOKOSA-N	0	3	324.428	2.769	20	30		DFEDHN
COc1ccc(CN(C)C)cc1NC(=O)N1CCC(C#N)CC1	ZINC000609205446	399309557	/nfs/dbraw/zinc/30/95/57/399309557.db2.gz	WRKTVPBIFIASJL-UHFFFAOYSA-N	0	3	316.405	2.524	20	30		DFEDHN
CN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2n1CC#N	ZINC000609175346	399308320	/nfs/dbraw/zinc/30/83/20/399308320.db2.gz	QBIMINGIHNYKNL-INIZCTEOSA-N	0	3	324.428	2.721	20	30		DFEDHN
N#CCN1CCC(NCc2csc(-c3ccsc3)n2)CC1	ZINC000609334721	399314318	/nfs/dbraw/zinc/31/43/18/399314318.db2.gz	CRKOFKFXFFRTQS-UHFFFAOYSA-N	0	3	318.471	2.949	20	30		DFEDHN
Cc1nn(-c2ccccc2)c(C)c1CNC1CCN(CC#N)CC1	ZINC000609335031	399314470	/nfs/dbraw/zinc/31/44/70/399314470.db2.gz	PTCHMLQHDZWCAM-UHFFFAOYSA-N	0	3	323.444	2.567	20	30		DFEDHN
CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2Cl)[C@H](C)C1	ZINC000615231845	399315386	/nfs/dbraw/zinc/31/53/86/399315386.db2.gz	GXJYZDJWXVIFFG-BZNIZROVSA-N	0	3	305.809	2.558	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(CC2CC2)C1	ZINC000609670495	399328866	/nfs/dbraw/zinc/32/88/66/399328866.db2.gz	NHZQEIKUKQOFST-GFCCVEGCSA-N	0	3	310.323	2.868	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc2ccccc2n1CC#N	ZINC000609664391	399329054	/nfs/dbraw/zinc/32/90/54/399329054.db2.gz	FLIJXSQNWRXJHO-OAHLLOKOSA-N	0	3	324.428	2.579	20	30		DFEDHN
N#Cc1ccccc1COc1cccc(CNCCN2CCC2)c1	ZINC000344844357	284693464	/nfs/dbraw/zinc/69/34/64/284693464.db2.gz	IFGVPKXTWONARA-UHFFFAOYSA-N	0	3	321.424	2.933	20	30		DFEDHN
CC#CCCN1CCCN(c2cc(OC)cc(OC)c2)CC1	ZINC000274114431	211367263	/nfs/dbraw/zinc/36/72/63/211367263.db2.gz	WQLWEKZOLBLLRV-UHFFFAOYSA-N	0	3	302.418	2.629	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C2CC2)CC1	ZINC000287255904	335042304	/nfs/dbraw/zinc/04/23/04/335042304.db2.gz	KJJWNEDWUIDVDZ-GOSISDBHSA-N	0	3	310.441	2.612	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCCN(C[C@H]2CCCO2)CC1	ZINC000615438235	399336494	/nfs/dbraw/zinc/33/64/94/399336494.db2.gz	GKYQUQRMVPWAGI-QFBILLFUSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCCN(C[C@H]2CCCO2)CC1	ZINC000615438236	399336893	/nfs/dbraw/zinc/33/68/93/399336893.db2.gz	GKYQUQRMVPWAGI-VQIMIIECSA-N	0	3	313.445	2.806	20	30		DFEDHN
N#CC[C@@H](CC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1	ZINC000619435593	399345941	/nfs/dbraw/zinc/34/59/41/399345941.db2.gz	ALSDYUHCAYXBCK-ROUUACIJSA-N	0	3	311.429	2.674	20	30		DFEDHN
Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)c1	ZINC000601849649	399348918	/nfs/dbraw/zinc/34/89/18/399348918.db2.gz	ITXJSQRUHFAKKI-IBGZPJMESA-N	0	3	319.408	2.871	20	30		DFEDHN
C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1cccc(C#N)c1	ZINC000610347105	399359193	/nfs/dbraw/zinc/35/91/93/399359193.db2.gz	CTPJMBBDRUKDIC-CYBMUJFWSA-N	0	3	312.417	2.545	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1	ZINC000610408272	399365036	/nfs/dbraw/zinc/36/50/36/399365036.db2.gz	QVCDKIFMAVYMMC-ZQIUZPCESA-N	0	3	314.433	2.743	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)c1	ZINC000610491406	399373185	/nfs/dbraw/zinc/37/31/85/399373185.db2.gz	GVVVCPGGLXOIKR-GOSISDBHSA-N	0	3	322.412	2.843	20	30		DFEDHN
CC1CCN(CCNC(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285116924	218296295	/nfs/dbraw/zinc/29/62/95/218296295.db2.gz	JRFVRGOFMTZLCP-UHFFFAOYSA-N	0	3	305.809	2.673	20	30		DFEDHN
Cn1nccc1C1=CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000285217556	218337546	/nfs/dbraw/zinc/33/75/46/218337546.db2.gz	AIDUAIGMJHVZES-UHFFFAOYSA-N	0	3	322.412	2.850	20	30		DFEDHN
COC(=O)[C@]12CN(Cc3ccc(C#N)s3)C[C@H]1CCCC2	ZINC000285271694	218360019	/nfs/dbraw/zinc/36/00/19/218360019.db2.gz	UMTFELYHPHFZNG-MLGOLLRUSA-N	0	3	304.415	2.785	20	30		DFEDHN
CC[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N(CC)CC	ZINC000619765982	399388863	/nfs/dbraw/zinc/38/88/63/399388863.db2.gz	WYGQDDCKRQRDHW-HNNXBMFYSA-N	0	3	307.825	2.948	20	30		DFEDHN
CCN1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000610674007	399391373	/nfs/dbraw/zinc/39/13/73/399391373.db2.gz	RVHPOCYRDQKAES-HZMBPMFUSA-N	0	3	306.797	2.673	20	30		DFEDHN
CCN1C[C@@H](C)[C@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)C1	ZINC000610678659	399392280	/nfs/dbraw/zinc/39/22/80/399392280.db2.gz	ZMHYNKWFZDMULK-MLGOLLRUSA-N	0	3	312.392	2.728	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)c1cccc(C#N)c1	ZINC000458209839	269685424	/nfs/dbraw/zinc/68/54/24/269685424.db2.gz	YXXVPAQVJNNYAJ-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C[C@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)(C)C	ZINC000619844438	399396238	/nfs/dbraw/zinc/39/62/38/399396238.db2.gz	RCZOEMIBMPEIHR-KGLIPLIRSA-N	0	3	301.438	2.541	20	30		DFEDHN
CC[C@H](CN1CCCC1)NC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000610717905	399397547	/nfs/dbraw/zinc/39/75/47/399397547.db2.gz	XUALQQLPVATEQC-RHSMWYFYSA-N	0	3	314.433	2.793	20	30		DFEDHN
CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC12CCC2	ZINC000610737762	399400254	/nfs/dbraw/zinc/40/02/54/399400254.db2.gz	GFYDYSZRBZOEIF-QGZVFWFLSA-N	0	3	311.429	2.639	20	30		DFEDHN
Cc1ccnc([C@@H](C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000602164106	399403783	/nfs/dbraw/zinc/40/37/83/399403783.db2.gz	LGFOGXSCYGKBDR-ZBFHGGJFSA-N	0	3	308.385	2.735	20	30		DFEDHN
CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1	ZINC000602304371	399421561	/nfs/dbraw/zinc/42/15/61/399421561.db2.gz	XNBURQZMYYFHOE-LPHOPBHVSA-N	0	3	313.445	2.953	20	30		DFEDHN
N#CC1(N(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)C2CC2)CCC1	ZINC000602316059	399423151	/nfs/dbraw/zinc/42/31/51/399423151.db2.gz	OMAGRYIWMISLLB-QGZVFWFLSA-N	0	3	323.440	2.946	20	30		DFEDHN
N#Cc1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)ccn1	ZINC000610994496	399425883	/nfs/dbraw/zinc/42/58/83/399425883.db2.gz	IGWZDUIRQKXBDX-LJQANCHMSA-N	0	3	307.397	2.787	20	30		DFEDHN
Cc1cccc(NC[C@@H]2CCN(Cc3ccnc(C#N)c3)C2)n1	ZINC000610993536	399425969	/nfs/dbraw/zinc/42/59/69/399425969.db2.gz	WUKJGVXDFPGHGF-INIZCTEOSA-N	0	3	307.401	2.591	20	30		DFEDHN
COc1ccc(C2(NCc3ccnc(C#N)c3)CCOCC2)cc1	ZINC000610993288	399426104	/nfs/dbraw/zinc/42/61/04/399426104.db2.gz	KBTWQRFIDKDCJB-UHFFFAOYSA-N	0	3	323.396	2.757	20	30		DFEDHN
CCN(CC[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000611170481	399441224	/nfs/dbraw/zinc/44/12/24/399441224.db2.gz	QDJIJQNACABLTP-GDBMZVCRSA-N	0	3	320.458	2.766	20	30		DFEDHN
CN(Cc1cccc(C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000602439058	399444170	/nfs/dbraw/zinc/44/41/70/399444170.db2.gz	WYQDOGXCDWCJQZ-LJQANCHMSA-N	0	3	306.413	2.660	20	30		DFEDHN
CCCN(CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1	ZINC000611170245	399441558	/nfs/dbraw/zinc/44/15/58/399441558.db2.gz	LYXNUDAIMIHQDG-KRWDZBQOSA-N	0	3	320.458	2.595	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)C1CCOCC1	ZINC000602453937	399448648	/nfs/dbraw/zinc/44/86/48/399448648.db2.gz	KZKMURZXGVKUDV-LJQANCHMSA-N	0	3	314.429	2.988	20	30		DFEDHN
COc1ccccc1CN1CCN(C[C@H](C)CCC#N)CC1	ZINC000602458726	399449547	/nfs/dbraw/zinc/44/95/47/399449547.db2.gz	JQNZFOHXVMMZOS-MRXNPFEDSA-N	0	3	301.434	2.753	20	30		DFEDHN
N#Cc1ccc(OC2CCN(Cc3ccc(=O)[nH]c3)CC2)cc1	ZINC000602464027	399451531	/nfs/dbraw/zinc/45/15/31/399451531.db2.gz	AHLLDDUGKUSBPI-UHFFFAOYSA-N	0	3	309.369	2.702	20	30		DFEDHN
C=CCCOCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1	ZINC000620207948	399460160	/nfs/dbraw/zinc/46/01/60/399460160.db2.gz	QQZGYAHJALHRBG-NVXWUHKLSA-N	0	3	302.418	2.531	20	30		DFEDHN
C[C@@H](CCC#N)CNc1ccc(CN2CCN(C)CC2)cc1	ZINC000602484626	399458737	/nfs/dbraw/zinc/45/87/37/399458737.db2.gz	ODRYDHKVVRCYFM-INIZCTEOSA-N	0	3	300.450	2.786	20	30		DFEDHN
C[C@@H](CCC#N)CNc1ccc(CN2CCC(O)CC2)cc1	ZINC000602488869	399459743	/nfs/dbraw/zinc/45/97/43/399459743.db2.gz	AMOIALLHNNOYDY-HNNXBMFYSA-N	0	3	301.434	2.995	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)NC[C@@H]1COc2ccccc2O1	ZINC000602502022	399462107	/nfs/dbraw/zinc/46/21/07/399462107.db2.gz	JPGGKFYOAIJKLR-LSDHHAIUSA-N	0	3	316.401	2.515	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)c(Cl)c1	ZINC000269136973	207268822	/nfs/dbraw/zinc/26/88/22/207268822.db2.gz	MYMRVUUAVMRQTF-GFCCVEGCSA-N	0	3	304.781	2.524	20	30		DFEDHN
C=CC[C@@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000193284754	335045414	/nfs/dbraw/zinc/04/54/14/335045414.db2.gz	UFRCSTCJQZMKJX-QWHCGFSZSA-N	0	3	307.390	2.669	20	30		DFEDHN
COCc1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N	ZINC000602524165	399467864	/nfs/dbraw/zinc/46/78/64/399467864.db2.gz	KHFSDLMTTNOADI-CYBMUJFWSA-N	0	3	309.797	2.836	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCCC#N	ZINC000602533393	399469291	/nfs/dbraw/zinc/46/92/91/399469291.db2.gz	XTDXUJNRCPXOAV-KRWDZBQOSA-N	0	3	312.417	2.564	20	30		DFEDHN
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CCCC#N	ZINC000602533396	399469394	/nfs/dbraw/zinc/46/93/94/399469394.db2.gz	XTDXUJNRCPXOAV-QGZVFWFLSA-N	0	3	312.417	2.564	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCOC[C@@H]1CCOC1	ZINC000611392816	399469779	/nfs/dbraw/zinc/46/97/79/399469779.db2.gz	NIPIIHWFQJTGBX-QAPCUYQASA-N	0	3	300.402	2.578	20	30		DFEDHN
C=CCOc1cccc(CN[C@H]2CCO[C@H]2c2nc(C)no2)c1	ZINC000623814177	399471130	/nfs/dbraw/zinc/47/11/30/399471130.db2.gz	BYWGWMVELUNFIH-JKSUJKDBSA-N	0	3	315.373	2.563	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CC[C@H](NCc2cccc(C#N)n2)C1	ZINC000602543683	399471892	/nfs/dbraw/zinc/47/18/92/399471892.db2.gz	GDXBEQNSILLYEC-KXBFYZLASA-N	0	3	306.413	2.878	20	30		DFEDHN
N#CC1(CC(=O)Nc2ccc3c(c2)OCCNC3)CCCCC1	ZINC000602551154	399473910	/nfs/dbraw/zinc/47/39/10/399473910.db2.gz	MMYFEYIPPNRCHS-UHFFFAOYSA-N	0	3	313.401	2.971	20	30		DFEDHN
C[C@H]1C[C@H](NCc2cccc(C#N)n2)CN1Cc1ccccc1	ZINC000602569250	399478952	/nfs/dbraw/zinc/47/89/52/399478952.db2.gz	PVSTWNBICFWRQZ-KXBFYZLASA-N	0	3	306.413	2.706	20	30		DFEDHN
N#Cc1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)c[nH]1	ZINC000611472022	399479472	/nfs/dbraw/zinc/47/94/72/399479472.db2.gz	DOKDRPXPTKXJCC-SFHVURJKSA-N	0	3	322.412	2.843	20	30		DFEDHN
CC(C)[C@](C)(Cc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000602596907	399486643	/nfs/dbraw/zinc/48/66/43/399486643.db2.gz	GHCQXYOGDXMZGS-AEFFLSMTSA-N	0	3	301.434	2.781	20	30		DFEDHN
C[C@@H]1COCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000611518419	399487136	/nfs/dbraw/zinc/48/71/36/399487136.db2.gz	AMUIOYNKQRXDGO-CQSZACIVSA-N	0	3	310.401	2.570	20	30		DFEDHN
N#Cc1ccc(CN2CCCN(Cc3ccc(O)cc3)CC2)cc1	ZINC000611526189	399488203	/nfs/dbraw/zinc/48/82/03/399488203.db2.gz	BRYAEDCBSALWGB-UHFFFAOYSA-N	0	3	321.424	2.972	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1cnc2c(ccc(F)c2F)c1	ZINC000602611372	399490232	/nfs/dbraw/zinc/49/02/32/399490232.db2.gz	NDJMSIWRUXUGPG-ZDUSSCGKSA-N	0	3	318.327	2.863	20	30		DFEDHN
N#Cc1cccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)n1	ZINC000602618966	399492428	/nfs/dbraw/zinc/49/24/28/399492428.db2.gz	ULEFNDXINOUMMD-LJQANCHMSA-N	0	3	307.397	2.726	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C1=CCN(C)CC1	ZINC000611580528	399496110	/nfs/dbraw/zinc/49/61/10/399496110.db2.gz	XFVPOJLUZAYKRA-KGLIPLIRSA-N	0	3	312.417	2.569	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(C#N)cc1F	ZINC000611589177	399497522	/nfs/dbraw/zinc/49/75/22/399497522.db2.gz	UKVFEKLNOHXINV-RVSPLBMKSA-N	0	3	304.365	2.686	20	30		DFEDHN
C[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C#N)cc1F	ZINC000611589173	399497988	/nfs/dbraw/zinc/49/79/88/399497988.db2.gz	UKVFEKLNOHXINV-JDFRZJQESA-N	0	3	304.365	2.686	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CNC2CCC(C#N)CC2)s1	ZINC000602649898	399502526	/nfs/dbraw/zinc/50/25/26/399502526.db2.gz	QPIMNHZGYXIQHO-UHFFFAOYSA-N	0	3	312.460	2.714	20	30		DFEDHN
CC(=O)NCCN(Cc1ccc(C)s1)C[C@H](C)CCC#N	ZINC000602659195	399505353	/nfs/dbraw/zinc/50/53/53/399505353.db2.gz	PIISUVZVGJFRSE-CYBMUJFWSA-N	0	3	307.463	2.935	20	30		DFEDHN
N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1	ZINC000602660486	399507470	/nfs/dbraw/zinc/50/74/70/399507470.db2.gz	DJZYIKFRPCQTLA-AABGKKOBSA-N	0	3	319.408	2.958	20	30		DFEDHN
N#Cc1cccc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1	ZINC000602660487	399507799	/nfs/dbraw/zinc/50/77/99/399507799.db2.gz	DJZYIKFRPCQTLA-AQNXPRMDSA-N	0	3	319.408	2.958	20	30		DFEDHN
CN(C)CCOc1ccccc1CNCc1cccc(C#N)c1	ZINC000119740968	195028184	/nfs/dbraw/zinc/02/81/84/195028184.db2.gz	VDDQGBINACVSSX-UHFFFAOYSA-N	0	3	309.413	2.788	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](C)OCc2ccccc2C)CC1	ZINC000625322395	399520166	/nfs/dbraw/zinc/52/01/66/399520166.db2.gz	FWKYEDATPDPYIU-MRXNPFEDSA-N	0	3	316.445	2.667	20	30		DFEDHN
C=C[C@H](CO)N[C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl	ZINC000624015922	399524017	/nfs/dbraw/zinc/52/40/17/399524017.db2.gz	IXIJMCCFRUNHGO-WCBMZHEXSA-N	0	3	308.731	2.821	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(Nc2cccc(C#N)n2)CC1	ZINC000270069699	208128957	/nfs/dbraw/zinc/12/89/57/208128957.db2.gz	RKOLRBWUTRJOPM-CQSZACIVSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N(CCN(C)C)Cc1ccco1)OCC	ZINC000270248804	208313538	/nfs/dbraw/zinc/31/35/38/208313538.db2.gz	XXDVEWCNPRJYDK-INIZCTEOSA-N	0	3	308.422	2.541	20	30		DFEDHN
C[C@@H](O)[C@@H](N[C@H](C)CC1(C#N)CCOCC1)c1ccccc1	ZINC000602715424	399534826	/nfs/dbraw/zinc/53/48/26/399534826.db2.gz	NAYWFCGBFHJFKX-BFYDXBDKSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCCOCCNC(=O)C1CCN(Cc2ccccc2)CC1	ZINC000270252996	208317773	/nfs/dbraw/zinc/31/77/73/208317773.db2.gz	PIVYNYBHFYSXQV-UHFFFAOYSA-N	0	3	316.445	2.608	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)NCc1c(C2CCC2)cnn1C	ZINC000602718723	399537905	/nfs/dbraw/zinc/53/79/05/399537905.db2.gz	KBBNTXAAICYNLY-CQSZACIVSA-N	0	3	316.449	2.876	20	30		DFEDHN
CO[C@H](CN1CCc2c(CC#N)cccc2C1)C1CCOCC1	ZINC000602728537	399543241	/nfs/dbraw/zinc/54/32/41/399543241.db2.gz	AGWCKTZSDBXZNJ-LJQANCHMSA-N	0	3	314.429	2.552	20	30		DFEDHN
COC(=O)COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1	ZINC000611978967	399552981	/nfs/dbraw/zinc/55/29/81/399552981.db2.gz	SGQSMWRVAJGIJR-AWEZNQCLSA-N	0	3	324.380	2.961	20	30		DFEDHN
C=C(C)CN(CC)Cc1c(C)nn(CC(=O)OC(C)C)c1C	ZINC000159001351	197318405	/nfs/dbraw/zinc/31/84/05/197318405.db2.gz	AOKGULCYOBZEPJ-UHFFFAOYSA-N	0	3	307.438	2.850	20	30		DFEDHN
C=C(CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1	ZINC000288009179	335051119	/nfs/dbraw/zinc/05/11/19/335051119.db2.gz	LZQMTNWHNMNXJF-NVXWUHKLSA-N	0	3	301.434	2.824	20	30		DFEDHN
C#CCCOc1ccc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1	ZINC000193505140	335051344	/nfs/dbraw/zinc/05/13/44/335051344.db2.gz	DGIJGLRKRYTMLT-JKSUJKDBSA-N	0	3	301.386	2.520	20	30		DFEDHN
N#CCC1(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1	ZINC000602780643	399570835	/nfs/dbraw/zinc/57/08/35/399570835.db2.gz	WQYGWBZYZZHRTM-INIZCTEOSA-N	0	3	311.429	2.822	20	30		DFEDHN
Cc1cnc(CCN(C)CCOc2ccc(C#N)cc2)s1	ZINC000157804230	197216416	/nfs/dbraw/zinc/21/64/16/197216416.db2.gz	HVLBTTVOQWIVLR-UHFFFAOYSA-N	0	3	301.415	2.877	20	30		DFEDHN
C[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N1CCCC[C@H]1C	ZINC000612100657	399582101	/nfs/dbraw/zinc/58/21/01/399582101.db2.gz	SNDDEEBRHZZGTO-INMHGKMJSA-N	0	3	306.454	2.585	20	30		DFEDHN
COC(=O)COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1	ZINC000602812090	399584686	/nfs/dbraw/zinc/58/46/86/399584686.db2.gz	UVXCBPNPEZUSLW-ZDUSSCGKSA-N	0	3	302.374	2.583	20	30		DFEDHN
C=C(C)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1	ZINC000156540126	197121427	/nfs/dbraw/zinc/12/14/27/197121427.db2.gz	IMWRVLRRYWPVCO-MRXNPFEDSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCCOCCNC(=O)c1cccc(CN2CCCC2)c1	ZINC000155190795	197030593	/nfs/dbraw/zinc/03/05/93/197030593.db2.gz	XSWSGNFCBKSRLT-UHFFFAOYSA-N	0	3	302.418	2.605	20	30		DFEDHN
Cc1cccc(C)c1OCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602856397	399604720	/nfs/dbraw/zinc/60/47/20/399604720.db2.gz	LFMURSWAVCXQBS-QZTJIDSGSA-N	0	3	315.461	2.991	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)c1sccc1C#N	ZINC000052050565	542446304	/nfs/dbraw/zinc/44/63/04/542446304.db2.gz	WWMLLRTWCGXEHG-UHFFFAOYSA-N	0	3	313.426	2.824	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NCCc2cccc3cccnc32)C1	ZINC000625701783	399617312	/nfs/dbraw/zinc/61/73/12/399617312.db2.gz	AYSDNTAWSZLNFA-MRXNPFEDSA-N	0	3	323.440	2.792	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)nc1	ZINC000602889935	399617330	/nfs/dbraw/zinc/61/73/30/399617330.db2.gz	XHBSHWNRRUUMLL-MRXNPFEDSA-N	0	3	315.380	2.886	20	30		DFEDHN
CC[C@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000602924242	399628892	/nfs/dbraw/zinc/62/88/92/399628892.db2.gz	MOAQBYUOYBVHKL-INIZCTEOSA-N	0	3	303.381	2.603	20	30		DFEDHN
COC[C@]1(CNCc2ccc(C#N)cc2)OCCc2ccccc21	ZINC000289753571	221202654	/nfs/dbraw/zinc/20/26/54/221202654.db2.gz	HPIGDARLIITEOM-FQEVSTJZSA-N	0	3	322.408	2.762	20	30		DFEDHN
COc1cc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)ccc1C#N	ZINC000289836975	221259004	/nfs/dbraw/zinc/25/90/04/221259004.db2.gz	MZDYQTODRLDZEE-UYAOXDASSA-N	0	3	322.408	2.823	20	30		DFEDHN
C#Cc1ccc(CNCc2cccc(CN3CCOCC3)c2)cc1	ZINC000289063057	335059777	/nfs/dbraw/zinc/05/97/77/335059777.db2.gz	CBEDUIRICCZZEH-UHFFFAOYSA-N	0	3	320.436	2.790	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(Cc2nccs2)CC1	ZINC000602956426	399639495	/nfs/dbraw/zinc/63/94/95/399639495.db2.gz	PSWIHCCHWRFNOG-CQSZACIVSA-N	0	3	307.463	2.698	20	30		DFEDHN
CC(C)(C#N)CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1	ZINC000602965347	399641589	/nfs/dbraw/zinc/64/15/89/399641589.db2.gz	COELWKSXVZMIQG-INIZCTEOSA-N	0	3	305.378	2.722	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1C#N	ZINC000602997196	399654344	/nfs/dbraw/zinc/65/43/44/399654344.db2.gz	FPDNUCKFUGJLCC-ZACQAIPSSA-N	0	3	300.402	2.692	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1	ZINC000603075698	399674432	/nfs/dbraw/zinc/67/44/32/399674432.db2.gz	ZEZQXGWTHQDFTG-IAQYHMDHSA-N	0	3	304.369	2.548	20	30		DFEDHN
CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[C@H]1C#N	ZINC000602981447	399648399	/nfs/dbraw/zinc/64/83/99/399648399.db2.gz	DINQMHJCMDYYDG-RYQLBKOJSA-N	0	3	311.429	2.773	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCc2nnc(CC)n2C1	ZINC000624356662	399652019	/nfs/dbraw/zinc/65/20/19/399652019.db2.gz	IYYYVJTYBUKFSP-HNNXBMFYSA-N	0	3	312.417	2.510	20	30		DFEDHN
N#C[C@]1(C(=O)N2CCCN(c3ccncc3)CC2)CC12CCCC2	ZINC000603084926	399677401	/nfs/dbraw/zinc/67/74/01/399677401.db2.gz	YIXZDJOWAVNAJA-IBGZPJMESA-N	0	3	324.428	2.594	20	30		DFEDHN
N#Cc1ccc(F)c(Cn2cc(CNC3CCCCC3)nn2)c1	ZINC000603195558	399707041	/nfs/dbraw/zinc/70/70/41/399707041.db2.gz	WFWOZSDWILUJNX-UHFFFAOYSA-N	0	3	313.380	2.759	20	30		DFEDHN
CCC[C@H](N)c1cn(Cc2ccc(C#N)cc2OC(F)F)nn1	ZINC000603236589	399719164	/nfs/dbraw/zinc/71/91/64/399719164.db2.gz	RCKNFOFBUJYSBK-LBPRGKRZSA-N	0	3	321.331	2.599	20	30		DFEDHN
C#CCC(CC#C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000289191974	335060919	/nfs/dbraw/zinc/06/09/19/335060919.db2.gz	LMXWXJGRJZDVIY-HXUWFJFHSA-N	0	3	322.452	2.772	20	30		DFEDHN
CC[C@@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1	ZINC000603250756	399723141	/nfs/dbraw/zinc/72/31/41/399723141.db2.gz	LOWNQSACOLXWKY-GFCCVEGCSA-N	0	3	309.295	2.627	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCN(c2ccnc3ccccc32)CC1	ZINC000289391021	335062851	/nfs/dbraw/zinc/06/28/51/335062851.db2.gz	QYWWRRDBEBSGFR-MRXNPFEDSA-N	0	3	311.429	2.684	20	30		DFEDHN
CCn1cc(C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cn1	ZINC000127357289	195870034	/nfs/dbraw/zinc/87/00/34/195870034.db2.gz	GDQUDLZVCGOTHN-IBGZPJMESA-N	0	3	324.428	2.688	20	30		DFEDHN
N#CC(C(=O)c1ccc2nncn2c1)c1ccc2ccccc2n1	ZINC000603627728	399794834	/nfs/dbraw/zinc/79/48/34/399794834.db2.gz	HTQKFDCHZOAMQV-CQSZACIVSA-N	0	3	313.320	2.768	20	30		DFEDHN
C=C[C@H](CO)N[C@@H]1CCc2c1cc(Br)cc2F	ZINC000289895380	335066838	/nfs/dbraw/zinc/06/68/38/335066838.db2.gz	SVEHYQHBBJRMRQ-NOZJJQNGSA-N	0	3	300.171	2.712	20	30		DFEDHN
C#Cc1ccccc1CC(=O)NCc1cccc(CN(C)C)c1	ZINC000289941883	335067161	/nfs/dbraw/zinc/06/71/61/335067161.db2.gz	VNKJDNWTGRYLPP-UHFFFAOYSA-N	0	3	306.409	2.588	20	30		DFEDHN
Cn1cc([C@H]2CCCN(CCOc3cccc(C#N)c3)C2)cn1	ZINC000604556553	399855654	/nfs/dbraw/zinc/85/56/54/399855654.db2.gz	FUKIFEZSRTWQLB-INIZCTEOSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC[C@H](CC#N)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000390885575	543307376	/nfs/dbraw/zinc/30/73/76/543307376.db2.gz	BPGVYRWCTSRHTB-MSOLQXFVSA-N	0	3	301.434	2.559	20	30		DFEDHN
C=CCOCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1	ZINC000634273676	400008596	/nfs/dbraw/zinc/00/85/96/400008596.db2.gz	IYCHDYOZMBCVLF-SFHVURJKSA-N	0	3	316.445	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)c1ccncc1)C(C)C	ZINC000631274635	400016473	/nfs/dbraw/zinc/01/64/73/400016473.db2.gz	REPLVZLPLJFBMW-AEFFLSMTSA-N	0	3	315.461	3.000	20	30		DFEDHN
C[C@@H](c1ccccc1)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1	ZINC000181300201	145610298	/nfs/dbraw/zinc/61/02/98/145610298.db2.gz	FOGYSIIGTQKKOY-AWEZNQCLSA-N	0	3	322.412	2.842	20	30		DFEDHN
Cc1c(Br)cccc1NC(=O)[C@@H](N)CCCC#N	ZINC000424090860	543342064	/nfs/dbraw/zinc/34/20/64/543342064.db2.gz	YFJPLBSWLQDHCG-NSHDSACASA-N	0	3	310.195	2.717	20	30		DFEDHN
N#Cc1ccc2ncc(CNCCOc3cccc(F)c3)n2c1	ZINC000237773972	146052095	/nfs/dbraw/zinc/05/20/95/146052095.db2.gz	HEKPXSATGBALOE-UHFFFAOYSA-N	0	3	310.332	2.514	20	30		DFEDHN
Cn1ncc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1C#N	ZINC000354380546	147015182	/nfs/dbraw/zinc/01/51/82/147015182.db2.gz	CKKKWEHCVHKUJK-UHFFFAOYSA-N	0	3	323.400	2.530	20	30		DFEDHN
C#CCN(C)CCCNC(=S)N[C@@H](CC)c1cccs1	ZINC000491673841	543407007	/nfs/dbraw/zinc/40/70/07/543407007.db2.gz	JOVMKUGMDJTCJE-ZDUSSCGKSA-N	0	3	309.504	2.618	20	30		DFEDHN
N#Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)o1	ZINC000354870541	147184512	/nfs/dbraw/zinc/18/45/12/147184512.db2.gz	JUPHHMQUQMZDFM-STQMWFEESA-N	0	3	319.405	2.915	20	30		DFEDHN
CN(C)CCN(C(=O)c1ncc(C#N)cc1Cl)C1CCCC1	ZINC000355346524	147275913	/nfs/dbraw/zinc/27/59/13/147275913.db2.gz	SIWBOCIBVLGIDH-UHFFFAOYSA-N	0	3	320.824	2.553	20	30		DFEDHN
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c[nH]c(C#N)c1)N(C)C	ZINC000357870213	148156050	/nfs/dbraw/zinc/15/60/50/148156050.db2.gz	NGFSERLZSFJXOL-DYVFJYSZSA-N	0	3	310.401	2.616	20	30		DFEDHN
CC(C)CN(C(=O)c1sccc1C#N)C1CCN(C)CC1	ZINC000358025106	148216640	/nfs/dbraw/zinc/21/66/40/148216640.db2.gz	LMTBUYRMZNWLBZ-UHFFFAOYSA-N	0	3	305.447	2.812	20	30		DFEDHN
C=CC[C@H]1CC[C@H](NCc2cccc(N3CCOCC3)n2)C1	ZINC000651766394	543513844	/nfs/dbraw/zinc/51/38/44/543513844.db2.gz	FYPPKNRMZPYCAG-HOTGVXAUSA-N	0	3	301.434	2.753	20	30		DFEDHN
N#Cc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)s1	ZINC000361048654	149017283	/nfs/dbraw/zinc/01/72/83/149017283.db2.gz	ABAVLYFMZCQWPW-OAHLLOKOSA-N	0	3	313.426	2.798	20	30		DFEDHN
C[C@H](O)[C@@H]1CCCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000361069754	149021966	/nfs/dbraw/zinc/02/19/66/149021966.db2.gz	TVZQKJFIWMMLBL-KSSFIOAISA-N	0	3	324.428	2.694	20	30		DFEDHN
N#Cc1cccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)c1	ZINC000361078854	149024047	/nfs/dbraw/zinc/02/40/47/149024047.db2.gz	JPEJDZMXPIMQKU-LJQANCHMSA-N	0	3	307.397	2.737	20	30		DFEDHN
CCN(CC1CCC1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000361481173	149126725	/nfs/dbraw/zinc/12/67/25/149126725.db2.gz	KESSHTHYOKIARU-AWEZNQCLSA-N	0	3	303.431	2.847	20	30		DFEDHN
COc1cnccc1N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000361530534	149140360	/nfs/dbraw/zinc/14/03/60/149140360.db2.gz	KHIJFOQRCORCDQ-HNNXBMFYSA-N	0	3	322.412	2.845	20	30		DFEDHN
N#Cc1ccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)cn1	ZINC000361780852	149217852	/nfs/dbraw/zinc/21/78/52/149217852.db2.gz	ABMILALWFXLQGN-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
COc1ccccc1N1CCC[C@@H](NCc2ccc(C#N)o2)C1	ZINC000371794855	150096262	/nfs/dbraw/zinc/09/62/62/150096262.db2.gz	CZJDHYATDNNOHP-CQSZACIVSA-N	0	3	311.385	2.918	20	30		DFEDHN
CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21	ZINC000373180900	150243395	/nfs/dbraw/zinc/24/33/95/150243395.db2.gz	XBZLJHFHUFYSBU-NHYWBVRUSA-N	0	3	318.808	2.770	20	30		DFEDHN
COc1cc(CN2CCC3(CCOCC3)[C@H]2C)ccc1C#N	ZINC000374202883	150320598	/nfs/dbraw/zinc/32/05/98/150320598.db2.gz	AGMSWHQXMHWRMU-CQSZACIVSA-N	0	3	300.402	2.958	20	30		DFEDHN
COc1cc(CN2CCC[C@H](Cc3nccn3C)C2)ccc1C#N	ZINC000374205269	150321661	/nfs/dbraw/zinc/32/16/61/150321661.db2.gz	OHPPTZUSJZRPPF-OAHLLOKOSA-N	0	3	324.428	2.755	20	30		DFEDHN
C[C@@H]1[C@H](NCc2ccc(C#N)cc2)CC(=O)N1Cc1ccccc1	ZINC000374265685	150332880	/nfs/dbraw/zinc/33/28/80/150332880.db2.gz	OOEUEUQKEUFBFZ-DNVCBOLYSA-N	0	3	319.408	2.837	20	30		DFEDHN
CN(Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c(C#N)c1)C1CC1	ZINC000185333186	158054847	/nfs/dbraw/zinc/05/48/47/158054847.db2.gz	OLHGSYVGASXOAH-GOSISDBHSA-N	0	3	322.412	2.527	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccco2)cc1	ZINC000247577766	158144850	/nfs/dbraw/zinc/14/48/50/158144850.db2.gz	XYEXYEHDPAYUHQ-WBVHZDCISA-N	0	3	312.369	2.728	20	30		DFEDHN
Cc1cccc(C)c1CN1CCN(c2cccc(C#N)n2)CC1	ZINC000355095129	158273231	/nfs/dbraw/zinc/27/32/31/158273231.db2.gz	HUUWRVVIPSIWPX-UHFFFAOYSA-N	0	3	306.413	2.892	20	30		DFEDHN
CC[C@@H]1C[C@H](CN2CCN(c3ccccc3C#N)CC2)CCO1	ZINC000356933094	158325522	/nfs/dbraw/zinc/32/55/22/158325522.db2.gz	XTCKVXIWZVJAJB-SJLPKXTDSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H](NCCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1F	ZINC000358590615	158392027	/nfs/dbraw/zinc/39/20/27/158392027.db2.gz	NXJKVGVJCJIKQS-LBPRGKRZSA-N	0	3	311.360	2.690	20	30		DFEDHN
C[C@H](NCc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1	ZINC000053099266	425886918	/nfs/dbraw/zinc/88/69/18/425886918.db2.gz	VXQVUDWYBJTFJJ-AWEZNQCLSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=CCOc1cccc(CN2CCN(C3CCOCC3)CC2)c1	ZINC000129747435	196072867	/nfs/dbraw/zinc/07/28/67/196072867.db2.gz	JDSQEDKDEYNIMR-UHFFFAOYSA-N	0	3	316.445	2.548	20	30		DFEDHN
Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000271632777	209078227	/nfs/dbraw/zinc/07/82/27/209078227.db2.gz	FYGMKFBNFXGUHL-QAPCUYQASA-N	0	3	310.397	2.957	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(CSCC)on2)CC1	ZINC000184430417	335072067	/nfs/dbraw/zinc/07/20/67/335072067.db2.gz	BBYUWVHJOUSRBH-UHFFFAOYSA-N	0	3	323.462	2.698	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1c(C)cnn1C)C(C)C	ZINC000667430009	543604934	/nfs/dbraw/zinc/60/49/34/543604934.db2.gz	BDTSUBOMENYYFE-OAHLLOKOSA-N	0	3	319.453	2.549	20	30		DFEDHN
C=C(C)COc1cc(CN(C)CC2CN(C)C2)ccc1OC	ZINC000668539626	543820605	/nfs/dbraw/zinc/82/06/05/543820605.db2.gz	FSOSKPNFGMZJDC-UHFFFAOYSA-N	0	3	304.434	2.644	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@](O)(C3CC3)C2)cc(OC)c1O	ZINC000668555674	543825895	/nfs/dbraw/zinc/82/58/95/543825895.db2.gz	BNYQFUISUUOFTC-LJQANCHMSA-N	0	3	317.429	2.866	20	30		DFEDHN
C=CCOc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1OC	ZINC000668555304	543826236	/nfs/dbraw/zinc/82/62/36/543826236.db2.gz	VYORNMBFMOPNBK-UOIKSKOESA-N	0	3	305.418	2.709	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1OC	ZINC000668705294	543849900	/nfs/dbraw/zinc/84/99/00/543849900.db2.gz	JDPYWTCDCWESGU-HZPDHXFCSA-N	0	3	303.402	2.728	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H]3COC[C@H]3C2)cc(OC)c1O	ZINC000668706457	543850470	/nfs/dbraw/zinc/85/04/70/543850470.db2.gz	SLNFUFAAKBAKRB-HZPDHXFCSA-N	0	3	303.402	2.598	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc(OC)c1O	ZINC000668738891	543857888	/nfs/dbraw/zinc/85/78/88/543857888.db2.gz	KQHNUEDKKOMSGF-FZKQIMNGSA-N	0	3	305.418	2.580	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN[C@@H]1CCc2c1cccc2O	ZINC000296733997	226176512	/nfs/dbraw/zinc/17/65/12/226176512.db2.gz	OCIIQLAFEFOOBY-MRXNPFEDSA-N	0	3	324.380	2.928	20	30		DFEDHN
CCN1CC[C@@H](NCC#CCOC)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000670093459	544022105	/nfs/dbraw/zinc/02/21/05/544022105.db2.gz	HSEQNHGEDCDRTO-SJORKVTESA-N	0	3	324.827	2.854	20	30		DFEDHN
CCC#C[C@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C	ZINC000671563514	544086474	/nfs/dbraw/zinc/08/64/74/544086474.db2.gz	RRRKHWVATDRDCU-XYJFISCASA-N	0	3	302.466	2.537	20	30		DFEDHN
CCC#C[C@@H](C)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C	ZINC000671563513	544086556	/nfs/dbraw/zinc/08/65/56/544086556.db2.gz	RRRKHWVATDRDCU-SOLBZPMBSA-N	0	3	302.466	2.537	20	30		DFEDHN
C=CCc1cc(CN(C)[C@@H](CO)CC(C)C)cc(OC)c1O	ZINC000290650174	335074092	/nfs/dbraw/zinc/07/40/92/335074092.db2.gz	ZBVTYAIUKNORPZ-MRXNPFEDSA-N	0	3	307.434	2.968	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C(F)(F)c2ncccc2C)CC1	ZINC000194581340	335077519	/nfs/dbraw/zinc/07/75/19/335077519.db2.gz	CRRBIQZXXSZDGO-UHFFFAOYSA-N	0	3	323.387	2.639	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc(Br)cc1C#N	ZINC000297346995	227044592	/nfs/dbraw/zinc/04/45/92/227044592.db2.gz	BEEVCRFOJUDAPE-RNCFNFMXSA-N	0	3	321.222	2.610	20	30		DFEDHN
COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)n(C)c1C	ZINC000291216295	222229514	/nfs/dbraw/zinc/22/95/14/222229514.db2.gz	OOUVAGMBRBDVBI-GFCCVEGCSA-N	0	3	311.385	2.843	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000674100150	544220382	/nfs/dbraw/zinc/22/03/82/544220382.db2.gz	XRNNZPBXODNXGC-AEFFLSMTSA-N	0	3	316.445	2.606	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)N[C@H]1CN(CC)C[C@H]1C	ZINC000674789144	544259179	/nfs/dbraw/zinc/25/91/79/544259179.db2.gz	BWUOTISKBUNBRT-AEFFLSMTSA-N	0	3	315.461	2.767	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N[C@@H]2CN(CC)C[C@@H]2C)c1	ZINC000674848673	544269437	/nfs/dbraw/zinc/26/94/37/544269437.db2.gz	GDGJIOIBBPYDCO-XJKSGUPXSA-N	0	3	303.406	2.713	20	30		DFEDHN
C=C(C)COc1cc(CN[C@@H](CO)CC2CC2)ccc1OC	ZINC000677246360	544457922	/nfs/dbraw/zinc/45/79/22/544457922.db2.gz	YFENYNXUCUVCQA-MRXNPFEDSA-N	0	3	305.418	2.901	20	30		DFEDHN
Cc1nnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)c1C	ZINC000302192098	230152274	/nfs/dbraw/zinc/15/22/74/230152274.db2.gz	ZMDLMBYZTOKYGA-FZKQIMNGSA-N	0	3	321.428	2.898	20	30		DFEDHN
COc1ccc([C@H](CNc2ccc(C)c(C#N)n2)N(C)C)cc1	ZINC000302701396	230360277	/nfs/dbraw/zinc/36/02/77/230360277.db2.gz	IKRUWIBUEOXQJH-KRWDZBQOSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@H]1C[C@@H](CN2CCN(c3ccc(C#N)cc3F)CC2)CCO1	ZINC000352693277	269893005	/nfs/dbraw/zinc/89/30/05/269893005.db2.gz	RKAHZRYBNQOIDU-HOCLYGCPSA-N	0	3	317.408	2.634	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](CCC)Cc2ccccc2)CC1	ZINC000068705868	425919338	/nfs/dbraw/zinc/91/93/38/425919338.db2.gz	SKWXHGZMFUYIKS-LJQANCHMSA-N	0	3	312.457	2.859	20	30		DFEDHN
Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ncc1C#N	ZINC000457748859	269910741	/nfs/dbraw/zinc/91/07/41/269910741.db2.gz	RMFIKNMGVROHTK-KSSFIOAISA-N	0	3	322.412	2.683	20	30		DFEDHN
Cc1cc(CN2CCC(N(C)c3cccnn3)CC2)ccc1C#N	ZINC000487901012	269913143	/nfs/dbraw/zinc/91/31/43/269913143.db2.gz	UYSOMOHBLUFEHD-UHFFFAOYSA-N	0	3	321.428	2.758	20	30		DFEDHN
N#Cc1cncc(NC[C@@H]2CCCN(Cc3cccs3)C2)n1	ZINC000420583302	270000625	/nfs/dbraw/zinc/00/06/25/270000625.db2.gz	KHTYSPDGNAXZML-ZDUSSCGKSA-N	0	3	313.430	2.734	20	30		DFEDHN
Cc1ncccc1OC[C@@H]1CCCN1Cc1cc(C#N)n(C)c1	ZINC000418138082	270000315	/nfs/dbraw/zinc/00/03/15/270000315.db2.gz	FWMATQOAIBQAPQ-INIZCTEOSA-N	0	3	310.401	2.644	20	30		DFEDHN
N#Cc1cccc(N2CCN(CC3CCC(F)(F)CC3)CC2)n1	ZINC000459401633	270001951	/nfs/dbraw/zinc/00/19/51/270001951.db2.gz	MJYDUPZGFJEJQD-UHFFFAOYSA-N	0	3	320.387	2.901	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)o1	ZINC000460014305	270001980	/nfs/dbraw/zinc/00/19/80/270001980.db2.gz	BXCFDZRAEIXMMI-AWEZNQCLSA-N	0	3	307.353	2.776	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCC(C(F)F)CC2)cc1	ZINC000472356681	270002023	/nfs/dbraw/zinc/00/20/23/270002023.db2.gz	UKBKZTLCACFARH-HNNXBMFYSA-N	0	3	317.339	2.744	20	30		DFEDHN
COc1ccc(CN(Cc2ccccc2)C[C@H](C)O)cc1C#N	ZINC000533079627	270002669	/nfs/dbraw/zinc/00/26/69/270002669.db2.gz	QHGAAADAGSLPEA-HNNXBMFYSA-N	0	3	310.397	2.950	20	30		DFEDHN
CN(C(=O)CN1CCC[C@@H]1C1CCC1)C1(C#N)CCCCC1	ZINC000102926864	425931291	/nfs/dbraw/zinc/93/12/91/425931291.db2.gz	JLBQGTGWSWDRQB-MRXNPFEDSA-N	0	3	303.450	2.936	20	30		DFEDHN
CCCC[C@@H](COC)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280321775	266037743	/nfs/dbraw/zinc/03/77/43/266037743.db2.gz	GTWMPZCHLGQODZ-SJORKVTESA-N	0	3	313.401	2.562	20	30		DFEDHN
COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000342562483	266730832	/nfs/dbraw/zinc/73/08/32/266730832.db2.gz	CXYJFHUCDWKSRI-HOCLYGCPSA-N	0	3	315.417	2.634	20	30		DFEDHN
CC(C)(C[C@@H]1CCCN(Cc2cc(C#N)cs2)C1)C(N)=O	ZINC000449411311	266884210	/nfs/dbraw/zinc/88/42/10/266884210.db2.gz	HKKWDVRIKXKREN-LBPRGKRZSA-N	0	3	305.447	2.733	20	30		DFEDHN
CCCN1C[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)CC1=O	ZINC000421872728	267018586	/nfs/dbraw/zinc/01/85/86/267018586.db2.gz	GWNQKFCDMUYYRF-GXTWGEPZSA-N	0	3	303.381	2.606	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1	ZINC000345169742	267025238	/nfs/dbraw/zinc/02/52/38/267025238.db2.gz	HHZRKCGXEAMQNM-CRAIPNDOSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1nc(C#N)cs1	ZINC000352899173	267056752	/nfs/dbraw/zinc/05/67/52/267056752.db2.gz	QKNBEDIEEWSOSU-CZUORRHYSA-N	0	3	312.442	2.625	20	30		DFEDHN
CCN(CCN1CCCCCC1)C(=O)c1cc(C)c(C#N)cn1	ZINC000457823865	267064715	/nfs/dbraw/zinc/06/47/15/267064715.db2.gz	QTHFLLLAGDGQEK-UHFFFAOYSA-N	0	3	314.433	2.600	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000342752652	267080112	/nfs/dbraw/zinc/08/01/12/267080112.db2.gz	LHLLBLPCFIDPMD-CRAIPNDOSA-N	0	3	323.440	2.675	20	30		DFEDHN
CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000452014570	267146328	/nfs/dbraw/zinc/14/63/28/267146328.db2.gz	KUTKSCJCAWZMRE-UKRRQHHQSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@H](CCNCc1ccc(C#N)cc1C(F)(F)F)[S@@](C)=O	ZINC000352822356	267151152	/nfs/dbraw/zinc/15/11/52/267151152.db2.gz	KBLIYMARBVIDRP-LADRHHBVSA-N	0	3	318.364	2.824	20	30		DFEDHN
CCS(=O)(=O)CCCN[C@H]1CCCCc2cc(C#N)ccc21	ZINC000414342396	267178406	/nfs/dbraw/zinc/17/84/06/267178406.db2.gz	POPUYWHWJWDLQT-KRWDZBQOSA-N	0	3	320.458	2.740	20	30		DFEDHN
CC[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000422198839	267182896	/nfs/dbraw/zinc/18/28/96/267182896.db2.gz	CYVQSOYEVXWNFE-OAHLLOKOSA-N	0	3	316.449	2.678	20	30		DFEDHN
CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C#N)o1)c1ccco1	ZINC000451677256	267186771	/nfs/dbraw/zinc/18/67/71/267186771.db2.gz	UJTBWAKHTKPVEE-DGCLKSJQSA-N	0	3	301.346	2.603	20	30		DFEDHN
CC[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(C#N)cc1	ZINC000414338574	267193392	/nfs/dbraw/zinc/19/33/92/267193392.db2.gz	YIEPSHYUIMUQMG-MRXNPFEDSA-N	0	3	320.458	2.814	20	30		DFEDHN
C[C@H]1CCN(C)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000346629763	267217547	/nfs/dbraw/zinc/21/75/47/267217547.db2.gz	WLVMWHFUTLWQRO-ZDUSSCGKSA-N	0	3	317.437	2.673	20	30		DFEDHN
C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CCCN1C	ZINC000345098412	267252952	/nfs/dbraw/zinc/25/29/52/267252952.db2.gz	OYADRPPTIWLLPY-GXFFZTMASA-N	0	3	306.797	2.816	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1	ZINC000531146312	267280799	/nfs/dbraw/zinc/28/07/99/267280799.db2.gz	QRVONWVDXRRHGB-UHFFFAOYSA-N	0	3	323.396	2.680	20	30		DFEDHN
Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)cn1	ZINC000399554416	267301828	/nfs/dbraw/zinc/30/18/28/267301828.db2.gz	AULVJUZKAWOHRW-SFHVURJKSA-N	0	3	306.413	2.760	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CNCC2	ZINC000415881404	267313814	/nfs/dbraw/zinc/31/38/14/267313814.db2.gz	IHGFRVIPKBZVCB-UHFFFAOYSA-N	0	3	320.396	2.868	20	30		DFEDHN
CN(c1ncc(C#N)cc1F)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000413209589	267328539	/nfs/dbraw/zinc/32/85/39/267328539.db2.gz	UUPVLTRRFKDZOC-MRXNPFEDSA-N	0	3	310.376	2.803	20	30		DFEDHN
Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1CCCN(C)[C@@H]1C	ZINC000343426632	267328586	/nfs/dbraw/zinc/32/85/86/267328586.db2.gz	FNAFWXJOMPOYJH-WBMJQRKESA-N	0	3	312.392	2.871	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000448021426	267333357	/nfs/dbraw/zinc/33/33/57/267333357.db2.gz	ILVQBFRZUXOBGH-OAHLLOKOSA-N	0	3	318.396	2.939	20	30		DFEDHN
Cc1cc(N(C)C[C@H]2CCN(C)[C@H]2c2cccnc2)cc(C#N)n1	ZINC000343018056	267334217	/nfs/dbraw/zinc/33/42/17/267334217.db2.gz	USRSMAAMJQZQKW-APWZRJJASA-N	0	3	321.428	2.786	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@H]1C(C)C	ZINC000429405174	267383449	/nfs/dbraw/zinc/38/34/49/267383449.db2.gz	KSGGWLNVUVMMQM-HOCLYGCPSA-N	0	3	304.365	2.717	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000030532773	267393351	/nfs/dbraw/zinc/39/33/51/267393351.db2.gz	AXLFJPIICRELMA-CXAGYDPISA-N	0	3	314.360	2.788	20	30		DFEDHN
C[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1	ZINC000420239458	267889042	/nfs/dbraw/zinc/88/90/42/267889042.db2.gz	OYZJJHJRBCMUEH-VIFPVBQESA-N	0	3	304.756	2.697	20	30		DFEDHN
C[C@H](CNC(=O)c1ccc(C#Cc2ccccc2)cc1)N(C)C	ZINC000025149090	425801877	/nfs/dbraw/zinc/80/18/77/425801877.db2.gz	KWEKQLHPCFPYNX-MRXNPFEDSA-N	0	3	306.409	2.766	20	30		DFEDHN
C[C@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCO[C@H]1C1CC1	ZINC000517033356	267906165	/nfs/dbraw/zinc/90/61/65/267906165.db2.gz	IGANVWXNKIESKC-HOTGVXAUSA-N	0	3	301.346	2.514	20	30		DFEDHN
C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccs1	ZINC000037856728	425849584	/nfs/dbraw/zinc/84/95/84/425849584.db2.gz	UVIKSTOJOUFNLX-JSGCOSHPSA-N	0	3	302.399	2.710	20	30		DFEDHN
N#CC(C(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2	ZINC000041510692	425852028	/nfs/dbraw/zinc/85/20/28/425852028.db2.gz	IEHRKWWJEUSFEL-CYBMUJFWSA-N	0	3	316.311	2.773	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)n1	ZINC000041516985	425852064	/nfs/dbraw/zinc/85/20/64/425852064.db2.gz	SFVHIZYYZJKJLU-CQSZACIVSA-N	0	3	323.381	2.581	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(Cn3cncn3)cc2)n1	ZINC000041516983	425852178	/nfs/dbraw/zinc/85/21/78/425852178.db2.gz	SFVHIZYYZJKJLU-AWEZNQCLSA-N	0	3	323.381	2.581	20	30		DFEDHN
CC(C)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000042905166	425853901	/nfs/dbraw/zinc/85/39/01/425853901.db2.gz	DMWBAPUIUFOMQN-UHFFFAOYSA-N	0	3	316.449	2.678	20	30		DFEDHN
Cc1cc(NC(=O)c2ccc(C#N)cc2)n(C2CCN(C)CC2)n1	ZINC000430458015	268010688	/nfs/dbraw/zinc/01/06/88/268010688.db2.gz	MNMZBUMOHKCTCT-UHFFFAOYSA-N	0	3	323.400	2.582	20	30		DFEDHN
N#Cc1ccc(CNCCCOCC2CCOCC2)c(F)c1	ZINC000344524221	268072826	/nfs/dbraw/zinc/07/28/26/268072826.db2.gz	JDIOWSUPWOXOBT-UHFFFAOYSA-N	0	3	306.381	2.620	20	30		DFEDHN
N#Cc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)c(F)c1	ZINC000346837252	268075185	/nfs/dbraw/zinc/07/51/85/268075185.db2.gz	XFMANXONLXGCQI-MRXNPFEDSA-N	0	3	302.324	2.530	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC(F)(F)C2)cc1	ZINC000348335699	268086661	/nfs/dbraw/zinc/08/66/61/268086661.db2.gz	BZKHFLYKKFTBCX-LSDHHAIUSA-N	0	3	317.339	2.935	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CCc3ccccc3C2)cc1	ZINC000279365263	268089318	/nfs/dbraw/zinc/08/93/18/268089318.db2.gz	KWBKJLBXUSFXOZ-LJQANCHMSA-N	0	3	315.376	2.825	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NCCc2ccsc2)cc1	ZINC000348086963	268090393	/nfs/dbraw/zinc/09/03/93/268090393.db2.gz	DWPSUBCXCXOOON-MRXNPFEDSA-N	0	3	309.394	2.661	20	30		DFEDHN
Cc1oc([N-]C(=O)C[NH2+][C@H]2CC3CCC2CC3)c(C#N)c1C	ZINC000433063118	268104530	/nfs/dbraw/zinc/10/45/30/268104530.db2.gz	RAGDDUPQPKTKRB-PIMMBPRGSA-N	0	3	301.390	2.875	20	30		DFEDHN
N#Cc1cccc(OCCN2C[C@@H](O)C[C@H]2c2ccccc2)c1	ZINC000411958066	268284549	/nfs/dbraw/zinc/28/45/49/268284549.db2.gz	XDKVIDPOXRKMRO-HKUYNNGSSA-N	0	3	308.381	2.745	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CCCS2)CC1	ZINC000125611316	425981987	/nfs/dbraw/zinc/98/19/87/425981987.db2.gz	DPCDUSQUCKNAMV-MRXNPFEDSA-N	0	3	311.495	2.612	20	30		DFEDHN
COc1ccc(CNC[C@H](c2ccccc2)N(C)C)cc1C#N	ZINC000124925106	425945618	/nfs/dbraw/zinc/94/56/18/425945618.db2.gz	BYAMWEFZPMMJQL-GOSISDBHSA-N	0	3	309.413	2.959	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000125287834	425963882	/nfs/dbraw/zinc/96/38/82/425963882.db2.gz	FSWLLJCXAFDKCQ-AEFFLSMTSA-N	0	3	309.413	2.534	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COc2ccccc2Cl)CC1	ZINC000106039854	425970275	/nfs/dbraw/zinc/97/02/75/425970275.db2.gz	ALKBQTHMVILAKR-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(-n3cccn3)cc2)CC1	ZINC000106039188	425970568	/nfs/dbraw/zinc/97/05/68/425970568.db2.gz	WMHIZFLDVWHVKB-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000106252929	425971567	/nfs/dbraw/zinc/97/15/67/425971567.db2.gz	VCESEUXBGIZUDQ-UHFFFAOYSA-N	0	3	308.813	2.897	20	30		DFEDHN
C=C(C)CN1CCC([NH2+]Cc2cc(OCC)ccc2[O-])CC1	ZINC000106245202	425971737	/nfs/dbraw/zinc/97/17/37/425971737.db2.gz	KTUFYRBXVYVAAF-UHFFFAOYSA-N	0	3	304.434	2.921	20	30		DFEDHN
CN1CCC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccs1	ZINC000125486531	425974667	/nfs/dbraw/zinc/97/46/67/425974667.db2.gz	ISMXATKCVKMVBQ-BLLLJJGKSA-N	0	3	313.430	2.905	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C1CC1)N1CCCC1	ZINC000126517406	426023860	/nfs/dbraw/zinc/02/38/60/426023860.db2.gz	NEPFMYWIVUSPMC-LJQANCHMSA-N	0	3	323.440	2.947	20	30		DFEDHN
Cn1cccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000126661090	426031218	/nfs/dbraw/zinc/03/12/18/426031218.db2.gz	RSUDMPNNZAZRKI-UHFFFAOYSA-N	0	3	308.429	2.605	20	30		DFEDHN
C=C(CNCc1ccc(S(C)(=O)=O)cc1)c1ccccc1	ZINC000110057524	426033282	/nfs/dbraw/zinc/03/32/82/426033282.db2.gz	WBNHEUWPQPOIDO-UHFFFAOYSA-N	0	3	301.411	2.893	20	30		DFEDHN
CCCCN(C)CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000127486647	426069480	/nfs/dbraw/zinc/06/94/80/426069480.db2.gz	KSAQGURUXHJRMH-UHFFFAOYSA-N	0	3	317.433	2.564	20	30		DFEDHN
CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1	ZINC000112700404	426088274	/nfs/dbraw/zinc/08/82/74/426088274.db2.gz	WAZFCZYRYWLSIW-QGZVFWFLSA-N	0	3	313.445	2.933	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21	ZINC000164096486	426111941	/nfs/dbraw/zinc/11/19/41/426111941.db2.gz	XUYDGEIGAMCQDU-WBVHZDCISA-N	0	3	314.429	2.808	20	30		DFEDHN
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C	ZINC000076810041	426118291	/nfs/dbraw/zinc/11/82/91/426118291.db2.gz	SQUKOISGBLRPKS-YCPHGPKFSA-N	0	3	317.408	2.764	20	30		DFEDHN
CCOC[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1	ZINC000077313739	426126321	/nfs/dbraw/zinc/12/63/21/426126321.db2.gz	LKQMWQWROLLAKR-INIZCTEOSA-N	0	3	318.417	2.694	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN2CCCN(CCC)CC2)c1C	ZINC000114190175	426128454	/nfs/dbraw/zinc/12/84/54/426128454.db2.gz	CFZSXCDTODTVIE-UHFFFAOYSA-N	0	3	317.477	2.891	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2c(C)nn(CCC)c2C)CC1	ZINC000128746305	426131236	/nfs/dbraw/zinc/13/12/36/426131236.db2.gz	KKXRMRKOCHRZEZ-UHFFFAOYSA-N	0	3	318.465	2.680	20	30		DFEDHN
C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1	ZINC000075755610	426083588	/nfs/dbraw/zinc/08/35/88/426083588.db2.gz	QEFYVOXGQHMATC-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccnc1)C(C)C	ZINC000127779453	426086810	/nfs/dbraw/zinc/08/68/10/426086810.db2.gz	CFBPZZKKDLTMME-INIZCTEOSA-N	0	3	302.422	2.902	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1	ZINC000116947107	426201993	/nfs/dbraw/zinc/20/19/93/426201993.db2.gz	DKNWDIFHXRVWJQ-RDJZCZTQSA-N	0	3	301.434	2.915	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1	ZINC000114667510	426141252	/nfs/dbraw/zinc/14/12/52/426141252.db2.gz	KJEUMZNJGOKBAK-UHFFFAOYSA-N	0	3	322.355	2.880	20	30		DFEDHN
C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)NC(C)(C)C	ZINC000170715129	426147002	/nfs/dbraw/zinc/14/70/02/426147002.db2.gz	LMNAEDZCTKNLEE-QWHCGFSZSA-N	0	3	303.406	2.543	20	30		DFEDHN
C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCO1	ZINC000170768608	426148988	/nfs/dbraw/zinc/14/89/88/426148988.db2.gz	DXLYPXWNLKUTEM-LBPRGKRZSA-N	0	3	321.808	2.651	20	30		DFEDHN
CCOC(=O)CC1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000130294360	426154052	/nfs/dbraw/zinc/15/40/52/426154052.db2.gz	PLQFWBIWRVCFIW-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(C#N)nc1	ZINC000115342977	426162425	/nfs/dbraw/zinc/16/24/25/426162425.db2.gz	RYAZZUVPGSGTBN-UHFFFAOYSA-N	0	3	314.433	2.537	20	30		DFEDHN
CCN(CCC(=O)N(C)CCC#N)[C@@H](C)c1cccc(O)c1	ZINC000131769236	426166876	/nfs/dbraw/zinc/16/68/76/426166876.db2.gz	ZZNSXMBGNBFBMR-AWEZNQCLSA-N	0	3	303.406	2.537	20	30		DFEDHN
COc1ccc(CN(C)[C@@H]2CCOC2)cc1OCCCC#N	ZINC000132170707	426168808	/nfs/dbraw/zinc/16/88/08/426168808.db2.gz	NOLRDBUDTZBNJH-OAHLLOKOSA-N	0	3	304.390	2.598	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2ccccc2)CC1	ZINC000078533629	426173361	/nfs/dbraw/zinc/17/33/61/426173361.db2.gz	LAFAACYZJDUPCT-UHFFFAOYSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2)CC1	ZINC000078533182	426173511	/nfs/dbraw/zinc/17/35/11/426173511.db2.gz	HSZNAQMLXQWNMQ-UHFFFAOYSA-N	0	3	301.434	2.835	20	30		DFEDHN
C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1	ZINC000115802860	426174296	/nfs/dbraw/zinc/17/42/96/426174296.db2.gz	NRQCQHZGZDOPIO-GOEBONIOSA-N	0	3	314.433	2.602	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCCc3occc32)CC1	ZINC000171713884	426206485	/nfs/dbraw/zinc/20/64/85/426206485.db2.gz	WGQJRKIWUQVYCF-HNNXBMFYSA-N	0	3	303.406	2.607	20	30		DFEDHN
C=CCN(CC=C)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000079506045	426194531	/nfs/dbraw/zinc/19/45/31/426194531.db2.gz	UWTYIYCQVGCPRW-UHFFFAOYSA-N	0	3	323.506	2.732	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCc3ccc(F)cc32)CC1	ZINC000171607218	426198149	/nfs/dbraw/zinc/19/81/49/426198149.db2.gz	IRZVISIWUQEZKU-UHFFFAOYSA-N	0	3	317.408	2.938	20	30		DFEDHN
CN(CCOc1cccc(C#N)c1)CCC(=O)OC(C)(C)C	ZINC000171963214	426219536	/nfs/dbraw/zinc/21/95/36/426219536.db2.gz	TYJWFCBKHPJXKL-UHFFFAOYSA-N	0	3	304.390	2.601	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCS[C@H]3COCC[C@@H]32)c1	ZINC000135556970	426222541	/nfs/dbraw/zinc/22/25/41/426222541.db2.gz	CSZXISAHDXTKRO-IRXDYDNUSA-N	0	3	318.442	2.533	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccnc1	ZINC000175008163	426274036	/nfs/dbraw/zinc/27/40/36/426274036.db2.gz	OIWFRICCPHASBT-LLVKDONJSA-N	0	3	300.387	2.694	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000118398277	426235571	/nfs/dbraw/zinc/23/55/71/426235571.db2.gz	HFLREUOSFMTMAO-MRXNPFEDSA-N	0	3	323.444	2.561	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H](C)c2cccc(OC)c2)CC1	ZINC000084599910	426240809	/nfs/dbraw/zinc/24/08/09/426240809.db2.gz	SYEYYXYPRACFII-OAHLLOKOSA-N	0	3	316.445	2.955	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@H](C)c2cccc(OC)c2)CC1	ZINC000084599909	426241102	/nfs/dbraw/zinc/24/11/02/426241102.db2.gz	SYEYYXYPRACFII-HNNXBMFYSA-N	0	3	316.445	2.955	20	30		DFEDHN
CCC(CC)(CC)NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000086229899	426256475	/nfs/dbraw/zinc/25/64/75/426256475.db2.gz	FIBUQDORZMXMGU-UHFFFAOYSA-N	0	3	308.447	2.890	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCC(n2cncn2)CC1	ZINC000135163148	426207433	/nfs/dbraw/zinc/20/74/33/426207433.db2.gz	YEFQVAOEYIKFLW-UHFFFAOYSA-N	0	3	309.417	2.916	20	30		DFEDHN
COc1ccc(CN(C)CCC(=O)OC(C)(C)C)cc1C#N	ZINC000135147721	426207895	/nfs/dbraw/zinc/20/78/95/426207895.db2.gz	LXRBPEKGUNFHON-UHFFFAOYSA-N	0	3	304.390	2.730	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)Cc2ccccc2)CC1	ZINC000117193669	426208510	/nfs/dbraw/zinc/20/85/10/426208510.db2.gz	XHGCPQDTOKMQEL-UHFFFAOYSA-N	0	3	312.457	2.717	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccccc2OCC)CC1	ZINC000171740048	426209574	/nfs/dbraw/zinc/20/95/74/426209574.db2.gz	GNOMBLIENXJWEY-UHFFFAOYSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CC1CCOCC1)C(C)C	ZINC000117259591	426210369	/nfs/dbraw/zinc/21/03/69/426210369.db2.gz	ZWDIKPYYUSQEIR-KRWDZBQOSA-N	0	3	308.466	2.618	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@H](C)c2cccc(O)c2)CC1	ZINC000171780880	426211822	/nfs/dbraw/zinc/21/18/22/426211822.db2.gz	GCBRCYNXOYHOJC-CQSZACIVSA-N	0	3	317.433	2.745	20	30		DFEDHN
CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000117379808	426213172	/nfs/dbraw/zinc/21/31/72/426213172.db2.gz	WHUBCUDENXESPS-SFHVURJKSA-N	0	3	321.424	2.943	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2SCC)CC1	ZINC000175247351	426290949	/nfs/dbraw/zinc/29/09/49/426290949.db2.gz	OSDURLUWCQYGKL-HOTGVXAUSA-N	0	3	308.491	2.512	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C	ZINC000151362475	426291829	/nfs/dbraw/zinc/29/18/29/426291829.db2.gz	NDVVMJBDHYSFGK-HNNXBMFYSA-N	0	3	320.433	2.855	20	30		DFEDHN
C=CCCS(=O)(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000119710624	426301437	/nfs/dbraw/zinc/30/14/37/426301437.db2.gz	FAXSEAWWXNAUMD-QGZVFWFLSA-N	0	3	322.474	2.537	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc2ccccc2c1	ZINC000120445820	426310909	/nfs/dbraw/zinc/31/09/09/426310909.db2.gz	NNZNSSVKZMPEHI-ZDUSSCGKSA-N	0	3	311.385	2.502	20	30		DFEDHN
Cn1ccnc1C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1	ZINC000090004427	426324323	/nfs/dbraw/zinc/32/43/23/426324323.db2.gz	JZVKOGRUUMDXEI-KRWDZBQOSA-N	0	3	311.404	2.865	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)c1cc(C#N)c[nH]1)c1ccccc1	ZINC000175099580	426279401	/nfs/dbraw/zinc/27/94/01/426279401.db2.gz	UTNGWRSKPIJCJB-QGZVFWFLSA-N	0	3	310.401	2.699	20	30		DFEDHN
CN(C)CCN(C(=O)c1c(F)cc(C#N)cc1F)C1CCCC1	ZINC000119376266	426283703	/nfs/dbraw/zinc/28/37/03/426283703.db2.gz	UAEQIXBSHJTSJW-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1	ZINC000152513081	426345259	/nfs/dbraw/zinc/34/52/59/426345259.db2.gz	LGMCFZSQAMKRNH-GOSISDBHSA-N	0	3	311.429	2.829	20	30		DFEDHN
C[C@H](O)C1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000092969789	426353144	/nfs/dbraw/zinc/35/31/44/426353144.db2.gz	OWQZQAPIQUZDDL-HNNXBMFYSA-N	0	3	302.418	2.962	20	30		DFEDHN
N#CC(C(=O)c1cccnc1OCC(F)F)c1ccccn1	ZINC000093244534	426353812	/nfs/dbraw/zinc/35/38/12/426353812.db2.gz	UMPSYLQVNWMWCV-LLVKDONJSA-N	0	3	303.268	2.611	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176344088	426372036	/nfs/dbraw/zinc/37/20/36/426372036.db2.gz	IGWIKPHDWJJUNV-AWEZNQCLSA-N	0	3	304.369	2.645	20	30		DFEDHN
C[C@@]1(CNC(=O)c2c[nH]c(C#N)c2)CCCN1Cc1ccccc1	ZINC000122424178	426374664	/nfs/dbraw/zinc/37/46/64/426374664.db2.gz	YNGDWHKZWPBDOI-IBGZPJMESA-N	0	3	322.412	2.671	20	30		DFEDHN
C=CCn1c(COc2ccccc2)nnc1SCCN(C)C	ZINC000122717645	426390103	/nfs/dbraw/zinc/39/01/03/426390103.db2.gz	BHBUYJXCNQCTQF-UHFFFAOYSA-N	0	3	318.446	2.697	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)Oc2cccc(C)c2)CC1	ZINC000176522835	426390482	/nfs/dbraw/zinc/39/04/82/426390482.db2.gz	IGRLHVWWRGSSTJ-GOSISDBHSA-N	0	3	316.445	2.919	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C	ZINC000176880222	426422018	/nfs/dbraw/zinc/42/20/18/426422018.db2.gz	PBBHYHLGYQFUBV-CPUCHLNUSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@@H]1CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000154791004	426455643	/nfs/dbraw/zinc/45/56/43/426455643.db2.gz	BSCWGWKTNRKUFR-CYBMUJFWSA-N	0	3	324.346	2.657	20	30		DFEDHN
Cc1ccccc1[C@H]1C[C@H](C)N([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000155215822	426465997	/nfs/dbraw/zinc/46/59/97/426465997.db2.gz	XSLKQOAWDYDREE-ULQDDVLXSA-N	0	3	313.445	2.933	20	30		DFEDHN
CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000186340250	426508359	/nfs/dbraw/zinc/50/83/59/426508359.db2.gz	WOVCXXIWISLGKE-KGLIPLIRSA-N	0	3	321.446	2.742	20	30		DFEDHN
CN(CCCNCc1cc(C#N)cs1)C(=O)OC(C)(C)C	ZINC000177696331	426508812	/nfs/dbraw/zinc/50/88/12/426508812.db2.gz	QPERMUNPFZOVCZ-UHFFFAOYSA-N	0	3	309.435	2.966	20	30		DFEDHN
C=C(C)COc1cccc(NC(=O)NC[C@H]2CCCN2C)c1	ZINC000264285735	426527869	/nfs/dbraw/zinc/52/78/69/426527869.db2.gz	XQWIMBOIAAWNCM-OAHLLOKOSA-N	0	3	303.406	2.857	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccc(COC)c2)CC1	ZINC000264336650	426538787	/nfs/dbraw/zinc/53/87/87/426538787.db2.gz	AXRKTBKIFKEHEU-UHFFFAOYSA-N	0	3	317.433	2.995	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC2CC(c3ccccc3)C2)CC1	ZINC000264352666	426542135	/nfs/dbraw/zinc/54/21/35/426542135.db2.gz	MIPMWXACVROBOY-UHFFFAOYSA-N	0	3	313.445	2.882	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCc2cccc(F)c2)CC1	ZINC000264408730	426548704	/nfs/dbraw/zinc/54/87/04/426548704.db2.gz	SLYXYXQBFORFDP-UHFFFAOYSA-N	0	3	305.397	2.665	20	30		DFEDHN
C=C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000264434806	426553720	/nfs/dbraw/zinc/55/37/20/426553720.db2.gz	DKKBMYKAYFXTHK-UHFFFAOYSA-N	0	3	319.361	2.584	20	30		DFEDHN
Cc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N(C)C)cc1	ZINC000194877784	426494889	/nfs/dbraw/zinc/49/48/89/426494889.db2.gz	SKDDCZWZKLXOHM-IBGZPJMESA-N	0	3	321.424	2.828	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1	ZINC000264519004	426567166	/nfs/dbraw/zinc/56/71/66/426567166.db2.gz	VXVSSVINUCQKQW-UHFFFAOYSA-N	0	3	316.445	2.955	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1	ZINC000280426572	426574125	/nfs/dbraw/zinc/57/41/25/426574125.db2.gz	PUZHEYVRIBKLCY-CVEARBPZSA-N	0	3	313.426	2.595	20	30		DFEDHN
N#Cc1cc(Br)ccc1N1CC[C@H](N2CC=CC2)C1	ZINC000272853448	426574697	/nfs/dbraw/zinc/57/46/97/426574697.db2.gz	PDJLYAMEUFMXDE-AWEZNQCLSA-N	0	3	318.218	2.771	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000264740541	426577543	/nfs/dbraw/zinc/57/75/43/426577543.db2.gz	RWKSLIWIWRXOPQ-UKRRQHHQSA-N	0	3	319.836	2.890	20	30		DFEDHN
CC[C@@H](C)[C@@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264822270	426578017	/nfs/dbraw/zinc/57/80/17/426578017.db2.gz	DOJBPAHLWFCJJL-ZBFHGGJFSA-N	0	3	320.433	2.874	20	30		DFEDHN
C=C(C)CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000280519226	426590199	/nfs/dbraw/zinc/59/01/99/426590199.db2.gz	FRFCXIZQGUXKGC-DOTOQJQBSA-N	0	3	322.474	2.535	20	30		DFEDHN
COc1ccc2c(c1)CN(C[C@@H](O)c1ccc(C#N)cc1)CC2	ZINC000178304468	426602068	/nfs/dbraw/zinc/60/20/68/426602068.db2.gz	RJUPCBDFXVMZNK-LJQANCHMSA-N	0	3	308.381	2.659	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000265260057	426608955	/nfs/dbraw/zinc/60/89/55/426608955.db2.gz	DNQFOJJHXAFGJA-OAHLLOKOSA-N	0	3	302.418	2.665	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1	ZINC000264479350	426561565	/nfs/dbraw/zinc/56/15/65/426561565.db2.gz	LAFMTADXOMQXOX-IAGOWNOFSA-N	0	3	302.393	2.696	20	30		DFEDHN
Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C#N)oc2C)o1	ZINC000280721088	426642716	/nfs/dbraw/zinc/64/27/16/426642716.db2.gz	IYLJRFYOTUOTBI-UHFFFAOYSA-N	0	3	315.373	2.565	20	30		DFEDHN
CC(C)(C)OC(=O)[C@H]1CCN(CCOc2ccc(C#N)cc2)C1	ZINC000178508673	426644034	/nfs/dbraw/zinc/64/40/34/426644034.db2.gz	SLYAWPOXWAPDGK-HNNXBMFYSA-N	0	3	316.401	2.601	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C	ZINC000187298725	426646925	/nfs/dbraw/zinc/64/69/25/426646925.db2.gz	UJUKRBIJMCXQKN-WMLDXEAASA-N	0	3	311.429	2.531	20	30		DFEDHN
C=CCSCCN[C@@H](C)c1ccccc1OCC(=O)OC	ZINC000273344292	426648141	/nfs/dbraw/zinc/64/81/41/426648141.db2.gz	LVIAHOLPPJAHKB-ZDUSSCGKSA-N	0	3	309.431	2.808	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1(O)CCCCCC1	ZINC000187337520	426649651	/nfs/dbraw/zinc/64/96/51/426649651.db2.gz	CIYRBMINIQHZHG-INIZCTEOSA-N	0	3	308.466	2.593	20	30		DFEDHN
N#Cc1cc(Br)ccc1CN[C@@H](CO)C1CCCC1	ZINC000289414789	426651852	/nfs/dbraw/zinc/65/18/52/426651852.db2.gz	BMYFYZFMFFQMTA-HNNXBMFYSA-N	0	3	323.234	2.961	20	30		DFEDHN
C=CCCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000265576468	426656606	/nfs/dbraw/zinc/65/66/06/426656606.db2.gz	PVFRBMAZAGHHFT-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
Cc1c(Cl)cnc(N2CC[C@H](N3CCCCC3)C2)c1C#N	ZINC000273388280	426656992	/nfs/dbraw/zinc/65/69/92/426656992.db2.gz	UNAYXUFCRZSMCF-ZDUSSCGKSA-N	0	3	304.825	2.980	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCCc2ccccc2F)CC1	ZINC000280802018	426657999	/nfs/dbraw/zinc/65/79/99/426657999.db2.gz	HJZBKQYUKSOYQM-UHFFFAOYSA-N	0	3	319.424	2.708	20	30		DFEDHN
N#Cc1cccc(NCC2(N3CCSCC3)CCCC2)n1	ZINC000265591898	426658195	/nfs/dbraw/zinc/65/81/95/426658195.db2.gz	YDNPPVDGRQNZIQ-UHFFFAOYSA-N	0	3	302.447	2.727	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1	ZINC000178587039	426659728	/nfs/dbraw/zinc/65/97/28/426659728.db2.gz	RGVYUWAEUMNGKD-IUODEOHRSA-N	0	3	300.406	2.813	20	30		DFEDHN
CC(C)(C)OC(=O)NC1CC(NCc2ccc(C#N)s2)C1	ZINC000227580707	426628391	/nfs/dbraw/zinc/62/83/91/426628391.db2.gz	GMCVANZSWYXKAN-UHFFFAOYSA-N	0	3	307.419	2.765	20	30		DFEDHN
C=CCC[C@@H](NCC(=O)NCC(F)(F)F)c1ccccc1	ZINC000178758173	426687946	/nfs/dbraw/zinc/68/79/46/426687946.db2.gz	OMPCWNFHPVDMCS-CYBMUJFWSA-N	0	3	300.324	2.962	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@H](C)c2ccc(OC)cc2)C1=O	ZINC000281229989	426707847	/nfs/dbraw/zinc/70/78/47/426707847.db2.gz	KYRIUMLLEOUWPH-WMLDXEAASA-N	0	3	302.418	2.517	20	30		DFEDHN
COCCCOC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000265974937	426718878	/nfs/dbraw/zinc/71/88/78/426718878.db2.gz	AZVSBYAKOWRSET-UHFFFAOYSA-N	0	3	318.417	2.606	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CCOC1	ZINC000178777451	426693341	/nfs/dbraw/zinc/69/33/41/426693341.db2.gz	FJIISCQSUHYYLN-GJZGRUSLSA-N	0	3	322.474	2.620	20	30		DFEDHN
COc1cc(CN[C@@H](CO)Cc2cccc(C)c2)ccc1C#N	ZINC000281793682	426767183	/nfs/dbraw/zinc/76/71/83/426767183.db2.gz	UUESMMZSTRKBOH-GOSISDBHSA-N	0	3	310.397	2.569	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN(C)[C@H]1CCSC1	ZINC000245809743	426774177	/nfs/dbraw/zinc/77/41/77/426774177.db2.gz	CEWDDSLVPGXPBL-JKSUJKDBSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCCCCN[C@H](C(N)=O)c1cccc(Br)c1	ZINC000274546432	426788768	/nfs/dbraw/zinc/78/87/68/426788768.db2.gz	VJDUGLQAXFLWSG-ZDUSSCGKSA-N	0	3	311.223	2.921	20	30		DFEDHN
C[C@@H]1CCC[C@@H](CN2CCN(c3nccnc3C#N)C[C@H]2C)C1	ZINC000245533592	426748471	/nfs/dbraw/zinc/74/84/71/426748471.db2.gz	JDXYRZSAGOSFPA-BZUAXINKSA-N	0	3	313.449	2.685	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)NC(C)(C)CC)cc1	ZINC000274606953	426801926	/nfs/dbraw/zinc/80/19/26/426801926.db2.gz	GLPLVFIQBARWQJ-CYBMUJFWSA-N	0	3	317.433	2.708	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000246180146	426807968	/nfs/dbraw/zinc/80/79/68/426807968.db2.gz	MUVOYYSBIIBONE-RYUDHWBXSA-N	0	3	321.371	2.687	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCO[C@H](C)C2)CC1	ZINC000246437296	426831970	/nfs/dbraw/zinc/83/19/70/426831970.db2.gz	UIFNCETXBARFHU-HZPDHXFCSA-N	0	3	313.445	2.804	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](Cc2ccccc2)C1	ZINC000246569243	426844899	/nfs/dbraw/zinc/84/48/99/426844899.db2.gz	DTQQXDUBGQCKLX-WMZOPIPTSA-N	0	3	313.445	2.559	20	30		DFEDHN
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](Cc2ccccc2)C1	ZINC000246569230	426845159	/nfs/dbraw/zinc/84/51/59/426845159.db2.gz	DTQQXDUBGQCKLX-AEFFLSMTSA-N	0	3	313.445	2.559	20	30		DFEDHN
C=C(Cl)CNC1CCC(N2C(=O)c3ccccc3C2=O)CC1	ZINC000275474477	426866303	/nfs/dbraw/zinc/86/63/03/426866303.db2.gz	JHRCRGOGUUTZRF-UHFFFAOYSA-N	0	3	318.804	2.936	20	30		DFEDHN
COc1cc(CN2CCC(c3cnn(C)c3)CC2)ccc1C#N	ZINC000282290806	426874004	/nfs/dbraw/zinc/87/40/04/426874004.db2.gz	LSBFWCGESKMPSV-UHFFFAOYSA-N	0	3	310.401	2.680	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000275620898	426880389	/nfs/dbraw/zinc/88/03/89/426880389.db2.gz	MNVBJFBYLNGHNA-HKUYNNGSSA-N	0	3	316.445	2.606	20	30		DFEDHN
C#CCCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000246973394	426886263	/nfs/dbraw/zinc/88/62/63/426886263.db2.gz	NRCJDEAWLHDKQQ-ZBFHGGJFSA-N	0	3	319.474	2.844	20	30		DFEDHN
C=CCOc1cccc(CN2CC[C@H](OCCOCC)C2)c1	ZINC000180788800	426887458	/nfs/dbraw/zinc/88/74/58/426887458.db2.gz	IHYOBMAELAIVMF-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1	ZINC000189575021	426892617	/nfs/dbraw/zinc/89/26/17/426892617.db2.gz	QOOWLAGILSODKB-QUCCMNQESA-N	0	3	324.468	2.859	20	30		DFEDHN
C=CCC(CC=C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1	ZINC000268201612	426947843	/nfs/dbraw/zinc/94/78/43/426947843.db2.gz	MWDVTFWXBWPEPO-HOTGVXAUSA-N	0	3	308.466	2.760	20	30		DFEDHN
C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1	ZINC000247544400	426949325	/nfs/dbraw/zinc/94/93/25/426949325.db2.gz	YGBCJASUVFJXTF-WMLDXEAASA-N	0	3	302.418	2.664	20	30		DFEDHN
C[C@@H](NCc1cccnc1-n1cccn1)c1cccc(C#N)c1	ZINC000181474087	426950773	/nfs/dbraw/zinc/95/07/73/426950773.db2.gz	LHWYTMTUJNZFJG-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)cc2C)C1(C)C	ZINC000189993615	426994435	/nfs/dbraw/zinc/99/44/35/426994435.db2.gz	JCTGTTQVNPCVSB-SJLPKXTDSA-N	0	3	302.418	2.522	20	30		DFEDHN
C=CCCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000276036974	426970884	/nfs/dbraw/zinc/97/08/84/426970884.db2.gz	FJTPLCGRDOMCAK-QGZVFWFLSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCNc1ncc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)s1	ZINC000247354421	426930350	/nfs/dbraw/zinc/93/03/50/426930350.db2.gz	JZALPNXZWJNPST-QWHCGFSZSA-N	0	3	322.478	2.591	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)cs1	ZINC000295374290	426931775	/nfs/dbraw/zinc/93/17/75/426931775.db2.gz	GMYHHKSMUNDVTB-AWEZNQCLSA-N	0	3	305.447	2.860	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1	ZINC000283035815	426937409	/nfs/dbraw/zinc/93/74/09/426937409.db2.gz	QUMVZUOPAVSUSR-SFHVURJKSA-N	0	3	320.396	2.954	20	30		DFEDHN
C#CCCCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1	ZINC000181320930	426939392	/nfs/dbraw/zinc/93/93/92/426939392.db2.gz	MFWODEBAWHENEQ-MRXNPFEDSA-N	0	3	301.434	2.610	20	30		DFEDHN
O=C(CCC(=O)N1CC[C@@H](N2CCCCC2)C1)NC1CCCC1	ZINC000328789215	426998309	/nfs/dbraw/zinc/99/83/09/426998309.db2.gz	PVTXMPFUUQVBMW-MRXNPFEDSA-N	0	3	321.465	2.753	20	30		DFEDHN
C=CCCN(C)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000276169147	426999644	/nfs/dbraw/zinc/99/96/44/426999644.db2.gz	SXIXSDRWVIBMFR-UHFFFAOYSA-N	0	3	315.461	2.911	20	30		DFEDHN
COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1OCCCC#N	ZINC000190063944	427012374	/nfs/dbraw/zinc/01/23/74/427012374.db2.gz	PWYYZJIVZDUTGU-HOCLYGCPSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1nc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1C#N	ZINC000182086399	427012484	/nfs/dbraw/zinc/01/24/84/427012484.db2.gz	QVOWADGPGCBOJR-AWEZNQCLSA-N	0	3	322.412	2.512	20	30		DFEDHN
C[C@H]1CCCN(CCNC(=O)c2ccc3nsnc3c2)C1	ZINC000329126125	427047988	/nfs/dbraw/zinc/04/79/88/427047988.db2.gz	YJAWKZSXSCWTCI-NSHDSACASA-N	0	3	304.419	2.728	20	30		DFEDHN
CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)CCO1	ZINC000329139249	427051492	/nfs/dbraw/zinc/05/14/92/427051492.db2.gz	FEPFWXRKPXRLPJ-OIISXLGYSA-N	0	3	324.465	2.790	20	30		DFEDHN
Cc1cc(CNC(=O)[C@H]2CCCN2C2CCCC2)nc(C)n1	ZINC000329150424	427053799	/nfs/dbraw/zinc/05/37/99/427053799.db2.gz	RPQILHPTIKJSMW-MRXNPFEDSA-N	0	3	302.422	2.957	20	30		DFEDHN
CN1CC=C(CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)CC1	ZINC000329215999	427067817	/nfs/dbraw/zinc/06/78/17/427067817.db2.gz	NSGMAGJQIVLWQJ-OAHLLOKOSA-N	0	3	321.465	2.632	20	30		DFEDHN
C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC	ZINC000276434711	427067947	/nfs/dbraw/zinc/06/79/47/427067947.db2.gz	NZYVVJCMTOZOSB-UONOGXRCSA-N	0	3	320.433	2.777	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1	ZINC000276492747	427081286	/nfs/dbraw/zinc/08/12/86/427081286.db2.gz	UYSCDAGKNIDMOB-ZDUSSCGKSA-N	0	3	308.397	2.689	20	30		DFEDHN
CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C1CCCC1)C2	ZINC000329292785	427083602	/nfs/dbraw/zinc/08/36/02/427083602.db2.gz	RHOLPAOIDHLBSV-ZDUSSCGKSA-N	0	3	304.438	2.942	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1	ZINC000249080181	427086267	/nfs/dbraw/zinc/08/62/67/427086267.db2.gz	RNZPMUPNGRNSAP-JQHSSLGASA-N	0	3	316.445	2.919	20	30		DFEDHN
C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1=CCN(C)CC1	ZINC000329361504	427098690	/nfs/dbraw/zinc/09/86/90/427098690.db2.gz	YQJCQWQAVKBSAI-ZDUSSCGKSA-N	0	3	316.401	2.607	20	30		DFEDHN
CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1CCOC	ZINC000249261359	427100694	/nfs/dbraw/zinc/10/06/94/427100694.db2.gz	HVJBEGDLYRLIOX-QAPCUYQASA-N	0	3	301.434	2.662	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000249265344	427102067	/nfs/dbraw/zinc/10/20/67/427102067.db2.gz	IOGFRFCLFBDZLU-WMZOPIPTSA-N	0	3	313.445	2.663	20	30		DFEDHN
O[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccc(C(F)(F)F)cc4)[C@H]1[C@H]3C2	ZINC000249577396	427129543	/nfs/dbraw/zinc/12/95/43/427129543.db2.gz	MUKPFYQQADNTQJ-XPYWIHLFSA-N	0	3	321.342	2.758	20	30		DFEDHN
CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cc(C#N)n(C)c1	ZINC000276614138	427114424	/nfs/dbraw/zinc/11/44/24/427114424.db2.gz	JHLSMITWYPYRGY-SJKOYZFVSA-N	0	3	301.365	2.902	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCCO1	ZINC000329460253	427118244	/nfs/dbraw/zinc/11/82/44/427118244.db2.gz	RVFWNFYUTWCOMR-JQWIXIFHSA-N	0	3	309.435	2.767	20	30		DFEDHN
Cc1cc(NC(=O)NC[C@@H]2CCCN2C)nn1C1CCCCC1	ZINC000329446835	427119267	/nfs/dbraw/zinc/11/92/67/427119267.db2.gz	CQFOZWQZUAWSGS-HNNXBMFYSA-N	0	3	319.453	3.117	20	30		DFEDHN
CCc1noc2ncc(C(=O)N[C@@H](C)C3=CCN(C)CC3)cc12	ZINC000329474158	427123731	/nfs/dbraw/zinc/12/37/31/427123731.db2.gz	ATESPHFKAVLPII-NSHDSACASA-N	0	3	314.389	2.740	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CC1CCCC1	ZINC000190486911	427123971	/nfs/dbraw/zinc/12/39/71/427123971.db2.gz	OTXJFCVLCOZNNX-IBGZPJMESA-N	0	3	316.445	2.948	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1	ZINC000329539367	427137670	/nfs/dbraw/zinc/13/76/70/427137670.db2.gz	WALLWLADZKIODS-HUUCEWRRSA-N	0	3	304.438	2.585	20	30		DFEDHN
CC(C(=O)NCC1CCCCC1)S(=O)(=O)[C@@H]1CCCOC1	ZINC000329583203	427144997	/nfs/dbraw/zinc/14/49/97/427144997.db2.gz	XMTCAKFVCBWFDF-TZMCWYRMSA-N	0	3	317.451	2.506	20	30		DFEDHN
COCCN1CC[C@H](NC(=O)N[C@H]2CCCCC23CCCC3)C1	ZINC000329594536	427148500	/nfs/dbraw/zinc/14/85/00/427148500.db2.gz	BLLZTGKVUBLOIC-HOTGVXAUSA-N	0	3	323.481	2.714	20	30		DFEDHN
C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc2O1	ZINC000292274768	427156486	/nfs/dbraw/zinc/15/64/86/427156486.db2.gz	BHNACJRRUFQGCL-RDTXWAMCSA-N	0	3	308.381	2.875	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000108497405	271005442	/nfs/dbraw/zinc/00/54/42/271005442.db2.gz	LIVVXLDHRGNVJT-NSHDSACASA-N	0	3	306.797	2.675	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000108497400	271006437	/nfs/dbraw/zinc/00/64/37/271006437.db2.gz	LIVVXLDHRGNVJT-LLVKDONJSA-N	0	3	306.797	2.675	20	30		DFEDHN
O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccc(C(F)(F)F)cc1	ZINC000249577394	427130317	/nfs/dbraw/zinc/13/03/17/427130317.db2.gz	MUKPFYQQADNTQJ-GMBUGEKQSA-N	0	3	321.342	2.758	20	30		DFEDHN
C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)C1=CCN(C)CC1	ZINC000329518826	427130706	/nfs/dbraw/zinc/13/07/06/427130706.db2.gz	PVRPPTXXIZWBLF-GFCCVEGCSA-N	0	3	320.437	2.907	20	30		DFEDHN
CN(CCOc1ccccc1C#N)[C@@H](CCO)c1ccccc1	ZINC000304315340	271369352	/nfs/dbraw/zinc/36/93/52/271369352.db2.gz	OAHCRYYYNIRVHK-SFHVURJKSA-N	0	3	310.397	2.993	20	30		DFEDHN
CC[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)cc1	ZINC000284281705	427173119	/nfs/dbraw/zinc/17/31/19/427173119.db2.gz	JVTHYMNTWURRMH-IKGGRYGDSA-N	0	3	304.434	2.757	20	30		DFEDHN
N#Cc1cccc(NCc2ccccc2CN2CCC(O)CC2)n1	ZINC000269345768	427173472	/nfs/dbraw/zinc/17/34/72/427173472.db2.gz	LMSRKSVGQZKJPZ-UHFFFAOYSA-N	0	3	322.412	2.522	20	30		DFEDHN
C[C@H](COc1ccc(F)cc1F)NCc1cc(C#N)n(C)c1	ZINC000190862812	427190686	/nfs/dbraw/zinc/19/06/86/427190686.db2.gz	NLRXGMNVWROBNT-LLVKDONJSA-N	0	3	305.328	2.732	20	30		DFEDHN
C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(N2CCOC2=O)cc1	ZINC000190880834	427194663	/nfs/dbraw/zinc/19/46/63/427194663.db2.gz	CWJVZVYFGBJLFB-ZDUSSCGKSA-N	0	3	324.384	2.704	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1	ZINC000269440653	427196548	/nfs/dbraw/zinc/19/65/48/427196548.db2.gz	SNYPCNWQCIIQHA-ZSDSOXJFSA-N	0	3	308.422	2.867	20	30		DFEDHN
C[C@@H]1CCCC[C@H]1CN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000183124006	427205349	/nfs/dbraw/zinc/20/53/49/427205349.db2.gz	GQWMEUFMVVLMKD-PMPSAXMXSA-N	0	3	313.449	2.685	20	30		DFEDHN
N#Cc1cc(Br)cnc1NC1CCN(C2CC2)CC1	ZINC000296619335	427226912	/nfs/dbraw/zinc/22/69/12/427226912.db2.gz	UQTSOSRXZGQIIN-UHFFFAOYSA-N	0	3	321.222	2.754	20	30		DFEDHN
Cc1ccccc1[C@@H]1CCN([C@H](C)C(=O)NC(=O)NC(C)C)C1	ZINC000330397763	427227423	/nfs/dbraw/zinc/22/74/23/427227423.db2.gz	CARIYKGKPCPHJG-HUUCEWRRSA-N	0	3	317.433	2.611	20	30		DFEDHN
C[C@H](N[C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000277642769	427267990	/nfs/dbraw/zinc/26/79/90/427267990.db2.gz	DBVJMKVMVKFNLU-PGUXBMHVSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2cnn(CCC(F)(F)F)c2)CCN1C	ZINC000330797818	427305303	/nfs/dbraw/zinc/30/53/03/427305303.db2.gz	CDLOOIFTURJBJM-PWSUYJOCSA-N	0	3	318.343	2.623	20	30		DFEDHN
C[C@@H]1C[C@@H](NC(=O)c2ncccc2OCC(F)F)CCN1C	ZINC000330904583	427313605	/nfs/dbraw/zinc/31/36/05/427313605.db2.gz	MHRMACISBOTFTG-MNOVXSKESA-N	0	3	313.348	2.513	20	30		DFEDHN
CCN1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1	ZINC000330958140	427319678	/nfs/dbraw/zinc/31/96/78/427319678.db2.gz	IJJGLFODUKGZSJ-UHFFFAOYSA-N	0	3	310.329	2.544	20	30		DFEDHN
CCN(C)CCNC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1	ZINC000330953316	427321947	/nfs/dbraw/zinc/32/19/47/427321947.db2.gz	FZABZXRGECUVJI-SJORKVTESA-N	0	3	319.449	2.670	20	30		DFEDHN
COC(=O)c1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c(F)c1	ZINC000331061467	427335856	/nfs/dbraw/zinc/33/58/56/427335856.db2.gz	UHSMWFDKFIGPBR-IAQYHMDHSA-N	0	3	322.380	2.646	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCCN1Cc1cc(C#N)n(C)c1	ZINC000191393888	427339163	/nfs/dbraw/zinc/33/91/63/427339163.db2.gz	LEFZHDOHTQDABW-KRWDZBQOSA-N	0	3	322.456	2.993	20	30		DFEDHN
Cc1cc(CN(C)C)cc(NC(=O)COc2ccccc2C#N)c1	ZINC000270383245	427340048	/nfs/dbraw/zinc/34/00/48/427340048.db2.gz	OKKKLCCNPRPMSM-UHFFFAOYSA-N	0	3	323.396	2.946	20	30		DFEDHN
C#CCN(Cc1ccc(N(C)CCOC)nc1)C1CCCC1	ZINC000191425455	427345283	/nfs/dbraw/zinc/34/52/83/427345283.db2.gz	YGYBOEIERAGATN-UHFFFAOYSA-N	0	3	301.434	2.542	20	30		DFEDHN
CSc1ccc([C@H](CNc2cnc(C#N)cn2)N(C)C)cc1	ZINC000338835553	271603603	/nfs/dbraw/zinc/60/36/03/271603603.db2.gz	IKVHQHIZZAKWLG-HNNXBMFYSA-N	0	3	313.430	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](C)c2ncc(C)s2)CC1	ZINC000183545512	427290819	/nfs/dbraw/zinc/29/08/19/427290819.db2.gz	WJWPCYZNPNVFNS-GFCCVEGCSA-N	0	3	322.478	2.505	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nn1C	ZINC000330679034	427291131	/nfs/dbraw/zinc/29/11/31/427291131.db2.gz	XEKVQVXXTWIFKJ-ZDUSSCGKSA-N	0	3	306.454	2.897	20	30		DFEDHN
Cn1cc(CNC2(c3cccc(F)c3)CCOCC2)cc1C#N	ZINC000191239371	427294842	/nfs/dbraw/zinc/29/48/42/427294842.db2.gz	VOBWEABLOWAVNJ-UHFFFAOYSA-N	0	3	313.376	2.831	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1nn2cc(C)nc2s1)C(C)C	ZINC000338388814	427295675	/nfs/dbraw/zinc/29/56/75/427295675.db2.gz	XGMCESCFXLZRSZ-AWEZNQCLSA-N	0	3	319.478	3.210	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(C)n([C@@H](C)CC)n2)CC1	ZINC000330744637	427298355	/nfs/dbraw/zinc/29/83/55/427298355.db2.gz	RYMPFIDGIBHULY-AWEZNQCLSA-N	0	3	318.465	2.933	20	30		DFEDHN
CCn1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C(F)(F)F)n1	ZINC000331214793	427372245	/nfs/dbraw/zinc/37/22/45/427372245.db2.gz	BYGMTGDBEVXSPY-NXEZZACHSA-N	0	3	318.343	2.709	20	30		DFEDHN
CCOc1nccc(C)c1C(=O)NC[C@@H]1CCCCN1CC	ZINC000331223793	427374256	/nfs/dbraw/zinc/37/42/56/427374256.db2.gz	WPSTVVQLYYDFPC-AWEZNQCLSA-N	0	3	305.422	2.968	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC(c3ccncc3)CC2)cc1	ZINC000191616288	427389875	/nfs/dbraw/zinc/38/98/75/427389875.db2.gz	MHWRCXVFJTUJJB-IBGZPJMESA-N	0	3	307.397	2.866	20	30		DFEDHN
N#Cc1ccnc(N2CCN(Cc3cccc4[nH]ccc43)CC2)c1	ZINC000271052403	427389787	/nfs/dbraw/zinc/38/97/87/427389787.db2.gz	XCRWKBJEEWAVEL-UHFFFAOYSA-N	0	3	317.396	2.757	20	30		DFEDHN
COc1cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1F	ZINC000331310218	427394497	/nfs/dbraw/zinc/39/44/97/427394497.db2.gz	YRQJRAKGKVOUGT-NSHDSACASA-N	0	3	307.369	2.811	20	30		DFEDHN
Cc1nc(C)c(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)s1	ZINC000331311394	427395161	/nfs/dbraw/zinc/39/51/61/427395161.db2.gz	GVIXTYLAPNEXQS-AWEZNQCLSA-N	0	3	324.494	2.884	20	30		DFEDHN
COc1ccccc1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000331331744	427397980	/nfs/dbraw/zinc/39/79/80/427397980.db2.gz	RTQVUEDLUCAQIO-INIZCTEOSA-N	0	3	319.449	2.819	20	30		DFEDHN
C#CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1	ZINC000270497597	427360570	/nfs/dbraw/zinc/36/05/70/427360570.db2.gz	YIFWTLKRHFEDIW-KYJSFNMBSA-N	0	3	311.429	2.675	20	30		DFEDHN
CC[C@H]1CN(Cc2cc(C#N)n(C)c2)CCN1Cc1ccccc1	ZINC000191493848	427362442	/nfs/dbraw/zinc/36/24/42/427362442.db2.gz	FCYJLMSMRAKYKA-IBGZPJMESA-N	0	3	322.456	2.993	20	30		DFEDHN
C[C@H](CNCc1cc(C#N)n(C)c1)c1nc(-c2ccccc2)no1	ZINC000191497860	427364698	/nfs/dbraw/zinc/36/46/98/427364698.db2.gz	AXCLKEDFASDLNA-CYBMUJFWSA-N	0	3	321.384	2.840	20	30		DFEDHN
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)c(F)c1	ZINC000331193537	427366664	/nfs/dbraw/zinc/36/66/64/427366664.db2.gz	YABACKVIRZAEDB-RHSMWYFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000278710560	427450157	/nfs/dbraw/zinc/45/01/57/427450157.db2.gz	BVIGRWVASWEVEJ-QWHCGFSZSA-N	0	3	303.381	2.548	20	30		DFEDHN
Cc1c(Cl)cnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N	ZINC000286255751	427469075	/nfs/dbraw/zinc/46/90/75/427469075.db2.gz	GGXUFOPSNGBURE-WCQYABFASA-N	0	3	304.825	2.978	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H](C)C[S@](C)=O)ccc1OC	ZINC000184266942	427426206	/nfs/dbraw/zinc/42/62/06/427426206.db2.gz	UFCSQVFWFCIMIV-ASSNKEHSSA-N	0	3	311.447	2.507	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1	ZINC000338659357	427426848	/nfs/dbraw/zinc/42/68/48/427426848.db2.gz	NLMMNOJTWCWNHG-HNNXBMFYSA-N	0	3	307.825	2.655	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000184270519	427428119	/nfs/dbraw/zinc/42/81/19/427428119.db2.gz	PMWVCDSEEWSEQC-CYBMUJFWSA-N	0	3	302.330	2.881	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cc(Br)c(OC)s1	ZINC000184281726	427428332	/nfs/dbraw/zinc/42/83/32/427428332.db2.gz	UHDAMOLYVAUQHA-QMMMGPOBSA-N	0	3	306.225	2.546	20	30		DFEDHN
C=CCOc1ccc(CN(CC)CCC(=O)OC)cc1OC	ZINC000271170980	427432168	/nfs/dbraw/zinc/43/21/68/427432168.db2.gz	SSCZWOXRULNWIY-UHFFFAOYSA-N	0	3	307.390	2.645	20	30		DFEDHN
CCS[C@H]1CCC[C@H]1NCC(=O)Nc1oc(C)c(C)c1C#N	ZINC000286350354	427500027	/nfs/dbraw/zinc/50/00/27/427500027.db2.gz	XVLUKAVJKZMTMT-KGLIPLIRSA-N	0	3	321.446	2.970	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)Cc1ccc(C#N)cc1	ZINC000286395704	427516158	/nfs/dbraw/zinc/51/61/58/427516158.db2.gz	ZEIARGAZIJJWTQ-UHFFFAOYSA-N	0	3	313.445	2.825	20	30		DFEDHN
C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCCC2	ZINC000286434842	427527967	/nfs/dbraw/zinc/52/79/67/427527967.db2.gz	SCJYAHUCLHEGPW-PBHICJAKSA-N	0	3	310.445	2.895	20	30		DFEDHN
Cc1ccc(C)n1C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1	ZINC000263653694	427531412	/nfs/dbraw/zinc/53/14/12/427531412.db2.gz	CCTKRXGKGBYQKV-MRXNPFEDSA-N	0	3	316.449	2.502	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(F)c(C#N)c1	ZINC000272050760	427613830	/nfs/dbraw/zinc/61/38/30/427613830.db2.gz	QJRIUFCEYUQAHJ-WMLDXEAASA-N	0	3	304.365	2.909	20	30		DFEDHN
COC(=O)C1(c2ccccc2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1	ZINC000339001410	427616574	/nfs/dbraw/zinc/61/65/74/427616574.db2.gz	HIXIWLBUSAVZNJ-NVXWUHKLSA-N	0	3	312.413	2.885	20	30		DFEDHN
CC1CCN(C(=O)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1	ZINC000338927071	427564213	/nfs/dbraw/zinc/56/42/13/427564213.db2.gz	GLJQRSFRFKSAIP-NVXWUHKLSA-N	0	3	303.450	2.649	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1	ZINC000192593025	427569792	/nfs/dbraw/zinc/56/97/92/427569792.db2.gz	BXUNAYVTPSDVIA-UHFFFAOYSA-N	0	3	321.424	2.691	20	30		DFEDHN
C=CCOCCN(C)C[C@@H](O)c1cccc(Br)c1	ZINC000298378947	427591790	/nfs/dbraw/zinc/59/17/90/427591790.db2.gz	NWFWNRNAUGPGOY-CQSZACIVSA-N	0	3	314.223	2.617	20	30		DFEDHN
CO[C@]1(C)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000279234321	427607097	/nfs/dbraw/zinc/60/70/97/427607097.db2.gz	FERYRWLPVCULDS-LJQANCHMSA-N	0	3	324.428	2.960	20	30		DFEDHN
N#C[C@H]1CC[C@H](N2CCC(n3cc(Br)cn3)CC2)C1	ZINC000338991700	427609532	/nfs/dbraw/zinc/60/95/32/427609532.db2.gz	COKCRBSJFCVSGN-FZMZJTMJSA-N	0	3	323.238	2.975	20	30		DFEDHN
CC[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000279316566	427638705	/nfs/dbraw/zinc/63/87/05/427638705.db2.gz	RXWBUUAGLFPHQX-HOCLYGCPSA-N	0	3	306.431	2.500	20	30		DFEDHN
C=C(C)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1	ZINC000279337470	427645959	/nfs/dbraw/zinc/64/59/59/427645959.db2.gz	PLBGBGUZJIFOOL-UHFFFAOYSA-N	0	3	300.362	2.870	20	30		DFEDHN
C[C@H](NCc1ccc(Br)cc1C#N)[C@@H]1CCOC1	ZINC000287613243	427652850	/nfs/dbraw/zinc/65/28/50/427652850.db2.gz	DVQQEONYHOTUAP-CMPLNLGQSA-N	0	3	309.207	2.835	20	30		DFEDHN
C=CCCCNC(=O)N(CCN(C)C)Cc1ccccc1F	ZINC000279396914	427662600	/nfs/dbraw/zinc/66/26/00/427662600.db2.gz	WCWGBSCARZVYQV-UHFFFAOYSA-N	0	3	307.413	2.865	20	30		DFEDHN
C=CCC[C@@H](CCC)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F	ZINC000272077638	427625034	/nfs/dbraw/zinc/62/50/34/427625034.db2.gz	KJOONBIKEULUMH-TZMCWYRMSA-N	0	3	319.371	2.895	20	30		DFEDHN
CS[C@@H]1CN(c2nccc(C#N)c2Cl)C[C@@H]1N1CCCC1	ZINC000343030962	272077575	/nfs/dbraw/zinc/07/75/75/272077575.db2.gz	ZEEYLYBFMVFUST-QWHCGFSZSA-N	0	3	322.865	2.623	20	30		DFEDHN
Cc1ccnc(N(CCN(C)C)Cc2cccc(F)c2)c1C#N	ZINC000343527784	272165400	/nfs/dbraw/zinc/16/54/00/272165400.db2.gz	LSNONKOWRADILO-UHFFFAOYSA-N	0	3	312.392	2.969	20	30		DFEDHN
CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCCO1	ZINC000272218899	427675724	/nfs/dbraw/zinc/67/57/24/427675724.db2.gz	BPCHAMMIEYFEPC-SFHVURJKSA-N	0	3	324.428	2.960	20	30		DFEDHN
CCCN1CCC[C@H]1CNc1nnc(CC)c(CC)c1C#N	ZINC000343931270	272239795	/nfs/dbraw/zinc/23/97/95/272239795.db2.gz	AXYVGRNUZZMIEW-ZDUSSCGKSA-N	0	3	301.438	2.759	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000344718017	272360083	/nfs/dbraw/zinc/36/00/83/272360083.db2.gz	CVVBSQXYWABCOH-AWEZNQCLSA-N	0	3	311.429	2.813	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000298722498	427686366	/nfs/dbraw/zinc/68/63/66/427686366.db2.gz	MSEHCKASCCFRKW-HUUCEWRRSA-N	0	3	314.433	2.650	20	30		DFEDHN
C=CCCCNC(=O)NCC1CCN(c2ccncc2)CC1	ZINC000279515468	427692488	/nfs/dbraw/zinc/69/24/88/427692488.db2.gz	JULPFRCVFIOXRC-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
C[C@@H](NC(=O)NCCN1CCCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000298745545	427694849	/nfs/dbraw/zinc/69/48/49/427694849.db2.gz	WEZGUTCXCNFBOE-LSDHHAIUSA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@H](O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000272280910	427695566	/nfs/dbraw/zinc/69/55/66/427695566.db2.gz	MRXGGJLEGHIJCQ-AWEZNQCLSA-N	0	3	324.428	2.552	20	30		DFEDHN
C#CC[C@H](N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000272322377	427707620	/nfs/dbraw/zinc/70/76/20/427707620.db2.gz	ZELDCLAVSTVIJY-BBWFWOEESA-N	0	3	305.443	2.696	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@](C)(O)CC2)cc1OC	ZINC000279587490	427708899	/nfs/dbraw/zinc/70/88/99/427708899.db2.gz	CFKJJOVBMJJIDZ-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
C[C@@H](CCc1ccco1)NC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000279684102	427715334	/nfs/dbraw/zinc/71/53/34/427715334.db2.gz	HEJYZTOYEGNHRP-WMLDXEAASA-N	0	3	321.380	2.971	20	30		DFEDHN
C=CCOCCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000339176906	427717099	/nfs/dbraw/zinc/71/70/99/427717099.db2.gz	VNNKYFVMBWQABC-GFCCVEGCSA-N	0	3	317.355	2.821	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1	ZINC000287924939	427717281	/nfs/dbraw/zinc/71/72/81/427717281.db2.gz	QNOJPZWKLXXACK-RHSMWYFYSA-N	0	3	307.401	2.732	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2OCC)CC1	ZINC000299155678	427756891	/nfs/dbraw/zinc/75/68/91/427756891.db2.gz	OGHPDXIXBJEHPJ-HNNXBMFYSA-N	0	3	314.429	2.608	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000336851606	427758677	/nfs/dbraw/zinc/75/86/77/427758677.db2.gz	WQLDTTPGIAFRFK-NSHDSACASA-N	0	3	311.307	2.514	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000299358448	427766090	/nfs/dbraw/zinc/76/60/90/427766090.db2.gz	XOHXVJWQRLFEOC-WMZOPIPTSA-N	0	3	316.445	2.921	20	30		DFEDHN
C=C(CNCc1cnc(N2CCOCC2)s1)c1ccccc1	ZINC000299656844	427767250	/nfs/dbraw/zinc/76/72/50/427767250.db2.gz	WPDYGCXVOANHTI-UHFFFAOYSA-N	0	3	315.442	2.783	20	30		DFEDHN
C=C(C)[C@H](CC(=O)NC[C@@H](Cc1ccccc1)N(C)C)OCC	ZINC000339441023	427775776	/nfs/dbraw/zinc/77/57/76/427775776.db2.gz	SZZKQMLMMHWQHZ-MSOLQXFVSA-N	0	3	318.461	2.647	20	30		DFEDHN
COc1cccc([C@H](CNc2nccnc2C#N)N2CCCC2)c1	ZINC000301182307	427781088	/nfs/dbraw/zinc/78/10/88/427781088.db2.gz	NOZUBKODJSXZKK-KRWDZBQOSA-N	0	3	323.400	2.606	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cccc(C#N)n1	ZINC000301267538	427785803	/nfs/dbraw/zinc/78/58/03/427785803.db2.gz	INOWVHQPMACYED-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000287984590	427724247	/nfs/dbraw/zinc/72/42/47/427724247.db2.gz	ARRZDGQKCRDWRE-KBXCAEBGSA-N	0	3	321.428	2.979	20	30		DFEDHN
C[C@@H]1[C@H](NC(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1	ZINC000288001804	427726786	/nfs/dbraw/zinc/72/67/86/427726786.db2.gz	BNVRKEFYPYTJHK-DNVCBOLYSA-N	0	3	319.408	2.951	20	30		DFEDHN
C[C@@H](NC(C)(C)CNC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000339274250	427747713	/nfs/dbraw/zinc/74/77/13/427747713.db2.gz	ZPLZHXZRTHMAGR-CQSZACIVSA-N	0	3	322.412	2.812	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC[C@H]2Cc2ccc(F)cc2)C1=O	ZINC000337140525	427804472	/nfs/dbraw/zinc/80/44/72/427804472.db2.gz	RFHNVGDWOWYGHG-IRXDYDNUSA-N	0	3	302.393	2.620	20	30		DFEDHN
N#Cc1ccc(NCCCN2CCN(c3ccccc3)CC2)cn1	ZINC000301546654	427805063	/nfs/dbraw/zinc/80/50/63/427805063.db2.gz	XAXPLXTXPASEHY-UHFFFAOYSA-N	0	3	321.428	2.577	20	30		DFEDHN
CCc1nnc(NCCN2CCC[C@@H](C)C2)c(C#N)c1CC	ZINC000301611170	427809625	/nfs/dbraw/zinc/80/96/25/427809625.db2.gz	DJJFVGOJKDJMAT-CYBMUJFWSA-N	0	3	301.438	2.617	20	30		DFEDHN
CCc1nnc(N[C@@H](C)CN2CCCCC2)c(C#N)c1CC	ZINC000301621665	427810103	/nfs/dbraw/zinc/81/01/03/427810103.db2.gz	NMORMNUZTGQDFB-ZDUSSCGKSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@H](OCC)C23CCCCC3)C1=O	ZINC000337188549	427812284	/nfs/dbraw/zinc/81/22/84/427812284.db2.gz	QHZTXHYKOHDPEE-ULQDDVLXSA-N	0	3	320.477	2.833	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCC[C@](CO)(C(C)C)C1	ZINC000339702261	427814872	/nfs/dbraw/zinc/81/48/72/427814872.db2.gz	OTCYFGLGUCDCFJ-SFHVURJKSA-N	0	3	302.418	2.797	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)CCCc2ccccc2Cl)C1=O	ZINC000337238985	427820938	/nfs/dbraw/zinc/82/09/38/427820938.db2.gz	ZPWRAAQYXRLFHB-MRXNPFEDSA-N	0	3	306.837	2.991	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(Cl)c1	ZINC000337249308	427823829	/nfs/dbraw/zinc/82/38/29/427823829.db2.gz	JHVMRODYPIIJOF-USXIJHARSA-N	0	3	320.820	2.573	20	30		DFEDHN
COc1cnccc1N1CCN(Cc2ccc(C#N)c(C)c2)CC1	ZINC000355657272	427838309	/nfs/dbraw/zinc/83/83/09/427838309.db2.gz	WHVCEPFDGCTLKC-UHFFFAOYSA-N	0	3	322.412	2.593	20	30		DFEDHN
CC(C)(C)N1C[C@H](C(=O)NCCCCC#N)[C@H](C(F)(F)F)C1	ZINC000339937006	427879176	/nfs/dbraw/zinc/87/91/76/427879176.db2.gz	AEGOLYDUZRVXHW-NWDGAFQWSA-N	0	3	319.371	2.705	20	30		DFEDHN
CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C#N	ZINC000339939298	427879348	/nfs/dbraw/zinc/87/93/48/427879348.db2.gz	VYJSBEADVGSATF-LLVKDONJSA-N	0	3	307.781	2.677	20	30		DFEDHN
CC(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000337391304	427881606	/nfs/dbraw/zinc/88/16/06/427881606.db2.gz	HKQTWMSTWKOCKK-INIZCTEOSA-N	0	3	303.381	2.675	20	30		DFEDHN
CC(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1	ZINC000337391308	427882033	/nfs/dbraw/zinc/88/20/33/427882033.db2.gz	HKQTWMSTWKOCKK-MRXNPFEDSA-N	0	3	303.381	2.675	20	30		DFEDHN
N#Cc1ccccc1OCCN[C@@H](CO)c1ccc(Cl)cc1	ZINC000359533943	427894772	/nfs/dbraw/zinc/89/47/72/427894772.db2.gz	GGLPDLYEHKGJAA-INIZCTEOSA-N	0	3	316.788	2.914	20	30		DFEDHN
CN1CCN(CCOc2ccc(C#N)cc2)Cc2ccccc21	ZINC000340653231	427916660	/nfs/dbraw/zinc/91/66/60/427916660.db2.gz	FWGQCBGVUNKRPK-UHFFFAOYSA-N	0	3	307.397	2.889	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)NCC1(CC#N)CC1)c1ccco1	ZINC000355855022	427922448	/nfs/dbraw/zinc/92/24/48/427922448.db2.gz	IDPXHTSPZQCMTC-KBPBESRZSA-N	0	3	318.421	2.702	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCCOC1)C(C)C	ZINC000350748735	427969585	/nfs/dbraw/zinc/96/95/85/427969585.db2.gz	OEERKNDCEHPWSQ-SJORKVTESA-N	0	3	323.481	2.505	20	30		DFEDHN
CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CN2CCC1CC2	ZINC000355998798	427975998	/nfs/dbraw/zinc/97/59/98/427975998.db2.gz	LPEJZDARZLIMBB-ROUUACIJSA-N	0	3	311.429	2.627	20	30		DFEDHN
CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCN(C2CC2)C1	ZINC000356005130	427978611	/nfs/dbraw/zinc/97/86/11/427978611.db2.gz	SDFAFKKXHVRDHK-FUHWJXTLSA-N	0	3	311.429	2.769	20	30		DFEDHN
CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C2CC2)C1	ZINC000356007674	427981350	/nfs/dbraw/zinc/98/13/50/427981350.db2.gz	WIGXRFLSBLESOC-KRWDZBQOSA-N	0	3	311.429	2.796	20	30		DFEDHN
CCCCN(C)CCNC(=O)C[C@H](CC#N)c1ccccc1	ZINC000356013455	427982406	/nfs/dbraw/zinc/98/24/06/427982406.db2.gz	PRROJEQLXHNYBL-KRWDZBQOSA-N	0	3	301.434	2.922	20	30		DFEDHN
Cc1cc(N[C@H]2CN(C3CC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-]	ZINC000413194087	427984764	/nfs/dbraw/zinc/98/47/64/427984764.db2.gz	PGJPBBWXHJCIJR-ABAIWWIYSA-N	0	3	300.362	2.670	20	30		DFEDHN
CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(C#N)cc1F	ZINC000413193573	427985512	/nfs/dbraw/zinc/98/55/12/427985512.db2.gz	PFNLHFDOGSUMTI-UHFFFAOYSA-N	0	3	323.375	2.532	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1	ZINC000369532380	427991594	/nfs/dbraw/zinc/99/15/94/427991594.db2.gz	SQVWKUKMYZLDEK-HIFRSBDPSA-N	0	3	307.463	2.958	20	30		DFEDHN
C=CCOc1ccccc1CN1C[C@@H](C)[C@](C)(C(=O)OC)C1	ZINC000337527988	427945585	/nfs/dbraw/zinc/94/55/85/427945585.db2.gz	HLHSBFDAERAXBI-RDTXWAMCSA-N	0	3	303.402	2.882	20	30		DFEDHN
C=CC[C@H](CO)CNCc1ccc(F)cc1Br	ZINC000341315241	428032855	/nfs/dbraw/zinc/03/28/55/428032855.db2.gz	UCNJAYKORNCXJD-JTQLQIEISA-N	0	3	302.187	2.862	20	30		DFEDHN
C[C@@H](Nc1ccn(C2CCN(C)CC2)n1)c1ccc(C#N)cc1	ZINC000369738209	428048769	/nfs/dbraw/zinc/04/87/69/428048769.db2.gz	WMQYOFXIXSGIKZ-CQSZACIVSA-N	0	3	309.417	3.195	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1	ZINC000369742914	428050464	/nfs/dbraw/zinc/05/04/64/428050464.db2.gz	WAHGJYMSUXEWOA-IAGOWNOFSA-N	0	3	305.466	2.905	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000413439370	428050414	/nfs/dbraw/zinc/05/04/14/428050414.db2.gz	NJNSKJSKQDVQOR-JQHSSLGASA-N	0	3	315.461	2.956	20	30		DFEDHN
C#CCCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1	ZINC000369758047	428054839	/nfs/dbraw/zinc/05/48/39/428054839.db2.gz	SFBMNUVLZMWRQZ-ZWKOTPCHSA-N	0	3	302.462	2.807	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1	ZINC000413248131	427999933	/nfs/dbraw/zinc/99/99/33/427999933.db2.gz	WMPSDORYGCXYGH-KDOFPFPSSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H](CC)CC(F)(F)F)CC1	ZINC000413240550	428000423	/nfs/dbraw/zinc/00/04/23/428000423.db2.gz	NMROGRHCNZMVNC-LBPRGKRZSA-N	0	3	321.387	2.915	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000341190868	428009183	/nfs/dbraw/zinc/00/91/83/428009183.db2.gz	FLWKYBZXSUAQTQ-ZIAGYGMSSA-N	0	3	307.463	2.928	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1	ZINC000413278344	428009113	/nfs/dbraw/zinc/00/91/13/428009113.db2.gz	FJMOPBUTDDHDDV-IAGOWNOFSA-N	0	3	313.445	2.710	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	ZINC000341204681	428011098	/nfs/dbraw/zinc/01/10/98/428011098.db2.gz	QBVSZMLMCIVCDD-DOTOQJQBSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1	ZINC000341204682	428011592	/nfs/dbraw/zinc/01/15/92/428011592.db2.gz	QBVSZMLMCIVCDD-NVXWUHKLSA-N	0	3	301.434	2.867	20	30		DFEDHN
C=CCOc1cccnc1C(=O)Nc1ccc(CN(C)C)cc1	ZINC000341425747	428067795	/nfs/dbraw/zinc/06/77/95/428067795.db2.gz	FESXYBRKMRIHNJ-UHFFFAOYSA-N	0	3	311.385	2.960	20	30		DFEDHN
Cc1cc(C)cc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1	ZINC000359911748	428073767	/nfs/dbraw/zinc/07/37/67/428073767.db2.gz	MGOYUXONBMZYGY-CQSZACIVSA-N	0	3	310.313	2.853	20	30		DFEDHN
N#CC(C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359932572	428083193	/nfs/dbraw/zinc/08/31/93/428083193.db2.gz	ANZUIGHSQTXCPH-LBPRGKRZSA-N	0	3	316.704	2.889	20	30		DFEDHN
CN(C)[C@H]1CCc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1	ZINC000377306291	428102516	/nfs/dbraw/zinc/10/25/16/428102516.db2.gz	GITRPKVSRLNQBX-RBUKOAKNSA-N	0	3	308.429	2.604	20	30		DFEDHN
C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(C)C2)c1cccc(C#N)c1	ZINC000356282394	428103258	/nfs/dbraw/zinc/10/32/58/428103258.db2.gz	PLKNTNMHYGGJGH-DNVCBOLYSA-N	0	3	311.429	2.606	20	30		DFEDHN
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1	ZINC000356366595	428145965	/nfs/dbraw/zinc/14/59/65/428145965.db2.gz	WJJNKEYFGYMJJI-UWWQBHOKSA-N	0	3	311.429	2.673	20	30		DFEDHN
CC[C@@H](N[C@@H](CCSC)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000352519898	428137260	/nfs/dbraw/zinc/13/72/60/428137260.db2.gz	SNWRKANPOVMCED-CVEARBPZSA-N	0	3	319.474	2.809	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CC)C1	ZINC000413843660	428152883	/nfs/dbraw/zinc/15/28/83/428152883.db2.gz	ZTEOCOBQZHZKMF-DLBZAZTESA-N	0	3	301.434	2.567	20	30		DFEDHN
CCCCCCCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1	ZINC000370426854	428208101	/nfs/dbraw/zinc/20/81/01/428208101.db2.gz	ZJRABJUAHTZUGW-GOSISDBHSA-N	0	3	323.525	2.974	20	30		DFEDHN
COCC[C@H](COC)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356533686	428221008	/nfs/dbraw/zinc/22/10/08/428221008.db2.gz	UYOXZVBAMKMSNW-CYBMUJFWSA-N	0	3	316.323	2.718	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H](c1cccs1)C1CC1)C1CC1	ZINC000341844651	428228562	/nfs/dbraw/zinc/22/85/62/428228562.db2.gz	PDYCQIRLKWZKQR-JKSUJKDBSA-N	0	3	303.431	2.597	20	30		DFEDHN
COCC1(C#N)CCN(CCCOc2ccc(F)cc2)CC1	ZINC000341978522	428267741	/nfs/dbraw/zinc/26/77/41/428267741.db2.gz	AKAJUBQYKWNEDO-UHFFFAOYSA-N	0	3	306.381	2.847	20	30		DFEDHN
CC(C#N)C(=O)NCCc1c[nH]c2cccc(Br)c12	ZINC000356675034	428268584	/nfs/dbraw/zinc/26/85/84/428268584.db2.gz	DDFUBXBXKOYHTF-VIFPVBQESA-N	0	3	320.190	2.749	20	30		DFEDHN
N#Cc1cc(NC[C@H]2CCCCN2Cc2ccccc2)ccn1	ZINC000341939198	428255534	/nfs/dbraw/zinc/25/55/34/428255534.db2.gz	YZDKUROWQKDLGR-LJQANCHMSA-N	0	3	306.413	2.842	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCCC#CC	ZINC000360528776	428334299	/nfs/dbraw/zinc/33/42/99/428334299.db2.gz	JACGCFLCEDTXHQ-UHFFFAOYSA-N	0	3	318.490	2.998	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCC(C)(OC)CC1	ZINC000342176917	428335137	/nfs/dbraw/zinc/33/51/37/428335137.db2.gz	KXWYTOVTYNPLTC-QGZVFWFLSA-N	0	3	319.445	2.656	20	30		DFEDHN
Cc1ccc([C@H](CNc2cc(C#N)cc(C)n2)N2CCCC2)o1	ZINC000342101333	428301738	/nfs/dbraw/zinc/30/17/38/428301738.db2.gz	XPQHCFRJYQNICL-INIZCTEOSA-N	0	3	310.401	3.412	20	30		DFEDHN
C=CCN(CCc1ccccc1)C(=O)CN1CCC(C)CC1	ZINC000353130771	428397307	/nfs/dbraw/zinc/39/73/07/428397307.db2.gz	LUMDVYXSRNXPIK-UHFFFAOYSA-N	0	3	300.446	2.976	20	30		DFEDHN
C=CCN(C(=O)[C@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000371590414	428398269	/nfs/dbraw/zinc/39/82/69/428398269.db2.gz	NHTRGTBCGGKROV-AEFFLSMTSA-N	0	3	316.445	2.558	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCOC[C@H]2OCC)cc1OC	ZINC000353162963	428410475	/nfs/dbraw/zinc/41/04/75/428410475.db2.gz	BJWXLDBWCYAKKV-MAUKXSAKSA-N	0	3	321.417	2.544	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000372019094	428411868	/nfs/dbraw/zinc/41/18/68/428411868.db2.gz	RARFHNJMCJLFSR-MRXNPFEDSA-N	0	3	300.402	2.729	20	30		DFEDHN
CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000356911008	428357498	/nfs/dbraw/zinc/35/74/98/428357498.db2.gz	YZDFQQFHXSXXSG-KOLCDFICSA-N	0	3	312.200	2.848	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1Cc1cnc2ccc(C#N)cn12	ZINC000378337877	428367642	/nfs/dbraw/zinc/36/76/42/428367642.db2.gz	BJWZWJXIYOGYRU-IRXDYDNUSA-N	0	3	323.444	2.655	20	30		DFEDHN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C)C2(CCCCC2)C1	ZINC000360626107	428374875	/nfs/dbraw/zinc/37/48/75/428374875.db2.gz	DFAJDINDWVYIBC-GJZGRUSLSA-N	0	3	321.465	2.679	20	30		DFEDHN
C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000378364928	428376825	/nfs/dbraw/zinc/37/68/25/428376825.db2.gz	SCPQMLBUBVUIOY-ZMYBRWDISA-N	0	3	324.428	2.941	20	30		DFEDHN
C=CCOc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1	ZINC000353082650	428378791	/nfs/dbraw/zinc/37/87/91/428378791.db2.gz	FROLHBVGWRQQRB-UHFFFAOYSA-N	0	3	323.458	2.698	20	30		DFEDHN
C#CCN(C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000371248259	428379952	/nfs/dbraw/zinc/37/99/52/428379952.db2.gz	BACUHYQSGZMQTK-UHFFFAOYSA-N	0	3	303.381	2.635	20	30		DFEDHN
CN1C[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1	ZINC000371269042	428380664	/nfs/dbraw/zinc/38/06/64/428380664.db2.gz	PYVISDWEZROQSE-RTBURBONSA-N	0	3	319.408	2.580	20	30		DFEDHN
N#Cc1ccc(F)c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000372363157	428435981	/nfs/dbraw/zinc/43/59/81/428435981.db2.gz	BCEDWULBUCAKNW-IBGZPJMESA-N	0	3	321.355	2.793	20	30		DFEDHN
CN(C)C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000342744603	428444554	/nfs/dbraw/zinc/44/45/54/428444554.db2.gz	MDQCXKGXLBVSKB-SFHVURJKSA-N	0	3	319.412	2.598	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000347106338	428446947	/nfs/dbraw/zinc/44/69/47/428446947.db2.gz	LPLXUQCSUHCXBK-BXUZGUMPSA-N	0	3	323.799	2.719	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N(CCC)CCN1CCCCC1	ZINC000342803126	428459677	/nfs/dbraw/zinc/45/96/77/428459677.db2.gz	UYSLEQATGNTWJE-SFHVURJKSA-N	0	3	310.482	2.940	20	30		DFEDHN
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)o1	ZINC000342844136	428468368	/nfs/dbraw/zinc/46/83/68/428468368.db2.gz	SDOSDLNMVFIMRR-CXAGYDPISA-N	0	3	312.369	2.661	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1	ZINC000347037613	428418775	/nfs/dbraw/zinc/41/87/75/428418775.db2.gz	NMSFSHJOAYKDCQ-GXFFZTMASA-N	0	3	323.190	2.509	20	30		DFEDHN
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC)N(CC)CC	ZINC000342370161	428421312	/nfs/dbraw/zinc/42/13/12/428421312.db2.gz	IVNLGXJOLFEIPT-QGZVFWFLSA-N	0	3	322.449	2.797	20	30		DFEDHN
CC(C#N)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC000347058860	428430122	/nfs/dbraw/zinc/43/01/22/428430122.db2.gz	BXLZAULZGQVEBO-NSHDSACASA-N	0	3	315.760	2.648	20	30		DFEDHN
C[C@@H](C(=O)N1CCCC12CCN(C)CC2)c1cccc(C#N)c1	ZINC000360771818	428433402	/nfs/dbraw/zinc/43/34/02/428433402.db2.gz	ZBHKFTMXCCENTL-OAHLLOKOSA-N	0	3	311.429	2.749	20	30		DFEDHN
Cc1ccc(C#N)c(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1	ZINC000372976832	428511142	/nfs/dbraw/zinc/51/11/42/428511142.db2.gz	ROOJNQPFXPRGTF-GOSISDBHSA-N	0	3	306.413	2.972	20	30		DFEDHN
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCCC(C)(C)C#N)C1	ZINC000373110562	428517312	/nfs/dbraw/zinc/51/73/12/428517312.db2.gz	DKCZCLBAAULJKZ-CQSZACIVSA-N	0	3	317.437	2.877	20	30		DFEDHN
CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCCCC(C)(C)C#N	ZINC000373105543	428517508	/nfs/dbraw/zinc/51/75/08/428517508.db2.gz	AKWUOVTYJLSGFD-LSDHHAIUSA-N	0	3	310.438	2.749	20	30		DFEDHN
CC#CCCNCc1cnc2c(C)cc(Br)cn12	ZINC000360967854	428517809	/nfs/dbraw/zinc/51/78/09/428517809.db2.gz	DQZVXWZBILRRCJ-UHFFFAOYSA-N	0	3	306.207	2.908	20	30		DFEDHN
CCc1nn(C)cc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000353405261	428524326	/nfs/dbraw/zinc/52/43/26/428524326.db2.gz	QWSYTDRRENJEMS-UHFFFAOYSA-N	0	3	323.444	2.613	20	30		DFEDHN
C=CCN(C(=O)c1ccc[nH]1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000372598061	428471814	/nfs/dbraw/zinc/47/18/14/428471814.db2.gz	CWYPOFLRYLACEC-KRWDZBQOSA-N	0	3	309.413	2.917	20	30		DFEDHN
Cc1ccnc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c1C#N	ZINC000372596096	428472102	/nfs/dbraw/zinc/47/21/02/428472102.db2.gz	VIDDQZSNJGHORI-RDJZCZTQSA-N	0	3	307.401	2.762	20	30		DFEDHN
CC1CC(C#N)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1	ZINC000390759692	428476327	/nfs/dbraw/zinc/47/63/27/428476327.db2.gz	LHZKVFXTEHQGRR-RMXPPQQLSA-N	0	3	311.429	2.707	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000353543620	428584819	/nfs/dbraw/zinc/58/48/19/428584819.db2.gz	BDDMBFYKQOAQPH-IAQYHMDHSA-N	0	3	304.369	2.548	20	30		DFEDHN
C[C@H]1[C@H](C)N(Cc2cccc(OCCCC#N)c2)CCN1C	ZINC000361156222	428539895	/nfs/dbraw/zinc/53/98/95/428539895.db2.gz	RLLZVTMPIDAHMK-HOTGVXAUSA-N	0	3	301.434	2.894	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCOCC1)C(C)C	ZINC000373313432	428545085	/nfs/dbraw/zinc/54/50/85/428545085.db2.gz	LMBNWNADHBZCQV-IRXDYDNUSA-N	0	3	308.466	2.618	20	30		DFEDHN
COc1cc(CN[C@@H]2CCO[C@H]2c2cccnc2)ccc1C#N	ZINC000343388500	428547581	/nfs/dbraw/zinc/54/75/81/428547581.db2.gz	AEJDVLDBBUENBD-AEFFLSMTSA-N	0	3	309.369	2.582	20	30		DFEDHN
CCn1ccnc1[C@H]1OCC[C@H]1NCc1ccc(C#N)c(C)c1	ZINC000343406326	428548009	/nfs/dbraw/zinc/54/80/09/428548009.db2.gz	UXEVEMSMEXSRNW-SJORKVTESA-N	0	3	310.401	2.703	20	30		DFEDHN
CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(C)c1	ZINC000343406324	428549828	/nfs/dbraw/zinc/54/98/28/428549828.db2.gz	UXEVEMSMEXSRNW-IAGOWNOFSA-N	0	3	310.401	2.703	20	30		DFEDHN
N#CCCCOc1cccc(CN2CC[C@@](O)(C3CC3)C2)c1	ZINC000373327053	428549910	/nfs/dbraw/zinc/54/99/10/428549910.db2.gz	YZRXBDNQSJKNGU-SFHVURJKSA-N	0	3	300.402	2.716	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000361371475	428560283	/nfs/dbraw/zinc/56/02/83/428560283.db2.gz	GWFGMPIABPQVBF-OAHLLOKOSA-N	0	3	319.474	2.673	20	30		DFEDHN
CC(C#N)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1	ZINC000357822892	428564815	/nfs/dbraw/zinc/56/48/15/428564815.db2.gz	JPCNOFNDGGOLTQ-WFASDCNBSA-N	0	3	305.809	2.753	20	30		DFEDHN
CCOc1cc(CN(C)C(=O)C(C)C#N)ccc1OC(F)F	ZINC000357818244	428565072	/nfs/dbraw/zinc/56/50/72/428565072.db2.gz	CMTRWVVTOLOWPB-SNVBAGLBSA-N	0	3	312.316	2.805	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)NC[C@H]1NCCc2ccccc21	ZINC000415319562	428567372	/nfs/dbraw/zinc/56/73/72/428567372.db2.gz	SYWYYUJEGFCTSK-GOSISDBHSA-N	0	3	320.396	2.875	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)cc1C#N	ZINC000415311321	428567448	/nfs/dbraw/zinc/56/74/48/428567448.db2.gz	ZSOKTAAYCBWDEV-STQMWFEESA-N	0	3	316.405	2.560	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccc(OC)cc2)C1	ZINC000357844305	428567685	/nfs/dbraw/zinc/56/76/85/428567685.db2.gz	YYJMHRZDUGSUIZ-RDJZCZTQSA-N	0	3	316.445	2.640	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCC(F)(F)c2ccccc2)CC1	ZINC000357984502	428574716	/nfs/dbraw/zinc/57/47/16/428574716.db2.gz	ZNKPJWZMMWYCDS-UHFFFAOYSA-N	0	3	323.387	2.728	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)C)C1(C)C	ZINC000361552435	428575817	/nfs/dbraw/zinc/57/58/17/428575817.db2.gz	TVRFNFHJTJHMLY-XHSDSOJGSA-N	0	3	310.482	2.981	20	30		DFEDHN
C[C@H](CCCOc1ccccc1C(N)=O)N[C@H]1CCC[C@@H]1C#N	ZINC000347436161	428577748	/nfs/dbraw/zinc/57/77/48/428577748.db2.gz	LPVMAHJJRXXWLS-FMKPAKJESA-N	0	3	315.417	2.615	20	30		DFEDHN
CN(C(=O)CN(CC1CC1)C1CCC1)C1(C#N)CCCCC1	ZINC000361579116	428579240	/nfs/dbraw/zinc/57/92/40/428579240.db2.gz	BBJNEMDWGJZWMR-UHFFFAOYSA-N	0	3	303.450	2.936	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1	ZINC000361566017	428579331	/nfs/dbraw/zinc/57/93/31/428579331.db2.gz	PMOXBZRJFOOVDK-BDAKNGLRSA-N	0	3	313.170	2.795	20	30		DFEDHN
C=C(CC)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000358508119	428603590	/nfs/dbraw/zinc/60/35/90/428603590.db2.gz	LNFAPJGRHBTQIV-UHFFFAOYSA-N	0	3	304.409	2.869	20	30		DFEDHN
C=C[C@@H](CO)N[C@H](C)Cc1ccc(Br)c(F)c1	ZINC000353580866	428603988	/nfs/dbraw/zinc/60/39/88/428603988.db2.gz	YGCUIXYWCRONGZ-KOLCDFICSA-N	0	3	302.187	2.656	20	30		DFEDHN
C=CCOCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000348044953	428634916	/nfs/dbraw/zinc/63/49/16/428634916.db2.gz	CCWFQXZPVLUFNG-UHFFFAOYSA-N	0	3	311.429	2.950	20	30		DFEDHN
C[C@H](c1ccccc1)[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000347672578	428620451	/nfs/dbraw/zinc/62/04/51/428620451.db2.gz	JUUGHKOODGSOGZ-DEYYWGMASA-N	0	3	307.397	2.866	20	30		DFEDHN
Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(C)C#N)cc1	ZINC000347719822	428622329	/nfs/dbraw/zinc/62/23/29/428622329.db2.gz	HZBYQNBYOCGMKA-RDJZCZTQSA-N	0	3	300.402	2.705	20	30		DFEDHN
C=C(C)COc1cc(CN[C@H]2C=C[C@@H](CO)C2)ccc1OC	ZINC000347779653	428624132	/nfs/dbraw/zinc/62/41/32/428624132.db2.gz	PUXSLUNKTAVLEF-CVEARBPZSA-N	0	3	303.402	2.677	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1	ZINC000347789103	428624616	/nfs/dbraw/zinc/62/46/16/428624616.db2.gz	SHLBHTLZGDGYLL-XHSDSOJGSA-N	0	3	310.482	2.528	20	30		DFEDHN
COCCOc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F	ZINC000344260794	428625739	/nfs/dbraw/zinc/62/57/39/428625739.db2.gz	FNVGURULNVEVCV-SECBINFHSA-N	0	3	316.279	2.720	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CNC	ZINC000415920965	428626231	/nfs/dbraw/zinc/62/62/31/428626231.db2.gz	LADGMUBUIOGUOO-GOEBONIOSA-N	0	3	303.406	2.509	20	30		DFEDHN
CO[C@]1(C)CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000373648887	428627091	/nfs/dbraw/zinc/62/70/91/428627091.db2.gz	RUUFFVWALSJPEV-NVXWUHKLSA-N	0	3	321.465	2.609	20	30		DFEDHN
C=CCOCCCN1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000347970049	428633053	/nfs/dbraw/zinc/63/30/53/428633053.db2.gz	VLSNYBRCSROQAQ-INIZCTEOSA-N	0	3	318.465	2.777	20	30		DFEDHN
C=CCOCCCN[C@H](CO)c1cccc(Br)c1	ZINC000348030165	428636762	/nfs/dbraw/zinc/63/67/62/428636762.db2.gz	ITNOEVQUIICVQK-CQSZACIVSA-N	0	3	314.223	2.665	20	30		DFEDHN
CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290492938	274057161	/nfs/dbraw/zinc/05/71/61/274057161.db2.gz	IDRLHBBBRFSBDY-MXWKQRLJSA-N	0	3	309.797	2.552	20	30		DFEDHN
C=CCOCCCN1Cc2ccccc2[C@H](C(=O)OCC)C1	ZINC000348039295	428635064	/nfs/dbraw/zinc/63/50/64/428635064.db2.gz	UJMJSAKAHDXNTC-QGZVFWFLSA-N	0	3	303.402	2.742	20	30		DFEDHN
CSCC[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F	ZINC000356111449	274175915	/nfs/dbraw/zinc/17/59/15/274175915.db2.gz	UNUVVMSTVBRPPI-LBPRGKRZSA-N	0	3	318.364	2.781	20	30		DFEDHN
C[C@@H](CCS(C)(=O)=O)N[C@H]1CCCCc2cc(C#N)ccc21	ZINC000360656379	274210406	/nfs/dbraw/zinc/21/04/06/274210406.db2.gz	HVYLSIBYYJGSCQ-GUYCJALGSA-N	0	3	320.458	2.739	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O	ZINC000374163301	428667431	/nfs/dbraw/zinc/66/74/31/428667431.db2.gz	ONKJXNARNSALRZ-WNRNVDISSA-N	0	3	322.493	2.673	20	30		DFEDHN
C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccncc1	ZINC000358863017	428710870	/nfs/dbraw/zinc/71/08/70/428710870.db2.gz	QIFONLBXYBNSNI-LBPRGKRZSA-N	0	3	303.435	2.568	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCC(Cc2cccc(OC)c2)CC1	ZINC000374621161	428713925	/nfs/dbraw/zinc/71/39/25/428713925.db2.gz	HYLQHBPXXRRZEC-OAHLLOKOSA-N	0	3	316.445	2.640	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CCC([C@H]2CCOC2)CC1	ZINC000374634009	428718364	/nfs/dbraw/zinc/71/83/64/428718364.db2.gz	XXIGBGRWZISZMA-KRWDZBQOSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1	ZINC000362372050	428723844	/nfs/dbraw/zinc/72/38/44/428723844.db2.gz	WUCFIQXAVGNOEP-WMLDXEAASA-N	0	3	301.434	2.697	20	30		DFEDHN
C=CCN1CCC(NC(=O)NCCc2sccc2C)CC1	ZINC000358793622	428679496	/nfs/dbraw/zinc/67/94/96/428679496.db2.gz	XPMOTARDGNOPEZ-UHFFFAOYSA-N	0	3	307.463	2.549	20	30		DFEDHN
CCOC(=O)[C@H]1CN(CCCSCC#N)Cc2ccccc21	ZINC000374406307	428679818	/nfs/dbraw/zinc/67/98/18/428679818.db2.gz	NDFLZDDFVBZZIR-INIZCTEOSA-N	0	3	318.442	2.796	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCN(C2CC2)C1	ZINC000358808081	428686662	/nfs/dbraw/zinc/68/66/62/428686662.db2.gz	RFNWDGCZAPJQAR-MRXNPFEDSA-N	0	3	315.465	2.795	20	30		DFEDHN
CC1(C#N)CCN(C(=O)CCN2CCc3ccccc3C2)CC1	ZINC000416201577	428689889	/nfs/dbraw/zinc/68/98/89/428689889.db2.gz	SLERUAVRHAQFDZ-UHFFFAOYSA-N	0	3	311.429	2.587	20	30		DFEDHN
CCC(C)(C)CCN1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000362462120	428756426	/nfs/dbraw/zinc/75/64/26/428756426.db2.gz	CVVVQQPGMHUKSK-AWEZNQCLSA-N	0	3	301.438	2.685	20	30		DFEDHN
C=CCN(C(=O)Cc1ccc[nH]1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000362464719	428756786	/nfs/dbraw/zinc/75/67/86/428756786.db2.gz	GSIQRTDACUAXSM-IBGZPJMESA-N	0	3	323.440	2.846	20	30		DFEDHN
CCN1CCN([C@H]2CCN(CCC3(C#N)CCCCC3)C2)CC1	ZINC000411259798	428766430	/nfs/dbraw/zinc/76/64/30/428766430.db2.gz	YAFCDUQEJSLNTG-SFHVURJKSA-N	0	3	318.509	2.562	20	30		DFEDHN
C=CCN1CCC(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)CC1	ZINC000358995249	428766953	/nfs/dbraw/zinc/76/69/53/428766953.db2.gz	WNMLMGOMDQCCDA-NVXWUHKLSA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000359021135	428777099	/nfs/dbraw/zinc/77/70/99/428777099.db2.gz	TYESGEJWCXDYFE-UXLLHSPISA-N	0	3	301.434	2.913	20	30		DFEDHN
N#CC1(CCN2CCN(C[C@@H]3CCOC3)CC2)CCCCC1	ZINC000411309078	428777763	/nfs/dbraw/zinc/77/77/63/428777763.db2.gz	LCMJPIJDBYQNHA-KRWDZBQOSA-N	0	3	305.466	2.505	20	30		DFEDHN
C=C(C)COc1cc(CN(C)[C@H]2CCC[C@@H]2O)ccc1OC	ZINC000348554979	428787232	/nfs/dbraw/zinc/78/72/32/428787232.db2.gz	MXCGHXDRYSYWMR-HOTGVXAUSA-N	0	3	305.418	2.995	20	30		DFEDHN
Cc1ccsc1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000348411335	428736070	/nfs/dbraw/zinc/73/60/70/428736070.db2.gz	PXCWTRHUTVPWGB-MRXNPFEDSA-N	0	3	323.421	2.969	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1csc(-c2ncccn2)n1	ZINC000411639783	428829924	/nfs/dbraw/zinc/82/99/24/428829924.db2.gz	JGPDPLYAAYUKRU-UHFFFAOYSA-N	0	3	317.462	2.540	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1ncc(Br)s1	ZINC000411638172	428831772	/nfs/dbraw/zinc/83/17/72/428831772.db2.gz	BLXZFXMKAVPUPO-UHFFFAOYSA-N	0	3	318.284	2.845	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)N1CCC[C@@H]2CCCC[C@H]21	ZINC000411648126	428834667	/nfs/dbraw/zinc/83/46/67/428834667.db2.gz	ZLEMNHVWMUDENJ-ZWKOTPCHSA-N	0	3	321.509	2.607	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCc4ccccc4OC3)n2c1	ZINC000375269604	428837106	/nfs/dbraw/zinc/83/71/06/428837106.db2.gz	QUOZYLSCCFOZKO-MRXNPFEDSA-N	0	3	318.380	2.689	20	30		DFEDHN
N#Cc1ccccc1-c1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1	ZINC000411680403	428839747	/nfs/dbraw/zinc/83/97/47/428839747.db2.gz	USINXGIOUOLVEL-VQTJNVASSA-N	0	3	322.408	2.855	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3CCCC[C@H]3n3cccn3)n2c1	ZINC000375324584	428856971	/nfs/dbraw/zinc/85/69/71/428856971.db2.gz	ULMDAEXIBYDWLN-DLBZAZTESA-N	0	3	320.400	2.676	20	30		DFEDHN
CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C#N)cc1	ZINC000363141747	428866629	/nfs/dbraw/zinc/86/66/29/428866629.db2.gz	ATZLKHAZDNTXSP-QZTJIDSGSA-N	0	3	311.429	2.924	20	30		DFEDHN
C=CCOc1ccc(CN2CCO[C@H]3CCN(CC)C[C@H]32)cc1	ZINC000354142123	428881603	/nfs/dbraw/zinc/88/16/03/428881603.db2.gz	PDJHTOOUQNVEJS-MOPGFXCFSA-N	0	3	316.445	2.546	20	30		DFEDHN
Cn1cc(CN2CC[C@@H](n3ncc4ccccc43)C2)cc1C#N	ZINC000375451004	428887026	/nfs/dbraw/zinc/88/70/26/428887026.db2.gz	JQHPKBCZJXRTRL-MRXNPFEDSA-N	0	3	305.385	2.693	20	30		DFEDHN
CC(C)(C)CC(=O)N1CC[C@H]2CN(CCCSCC#N)C[C@H]21	ZINC000363305848	428902042	/nfs/dbraw/zinc/90/20/42/428902042.db2.gz	DZHINGXSEYSKIP-LSDHHAIUSA-N	0	3	323.506	2.602	20	30		DFEDHN
N#CC1(F)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1	ZINC000359354720	428936089	/nfs/dbraw/zinc/93/60/89/428936089.db2.gz	XWAAXMMRFCODCK-OAHLLOKOSA-N	0	3	307.413	2.638	20	30		DFEDHN
C[C@@H](NC(=O)NCC1(C#N)CCC1)[C@H](c1ccccc1)N(C)C	ZINC000419511834	428936480	/nfs/dbraw/zinc/93/64/80/428936480.db2.gz	WHMDJXKIWUEEIB-GDBMZVCRSA-N	0	3	314.433	2.671	20	30		DFEDHN
C=C(CN[C@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1	ZINC000359367663	428943238	/nfs/dbraw/zinc/94/32/38/428943238.db2.gz	CEIXDMYUBQHEDI-CQSZACIVSA-N	0	3	316.426	2.698	20	30		DFEDHN
C#CCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1	ZINC000363580856	428948693	/nfs/dbraw/zinc/94/86/93/428948693.db2.gz	SFFAXFKSGUYUFM-ZBFHGGJFSA-N	0	3	319.836	2.655	20	30		DFEDHN
N#Cc1ncn(C2CCN(CCSc3ccccc3)CC2)n1	ZINC000375922171	429018344	/nfs/dbraw/zinc/01/83/44/429018344.db2.gz	UXWDJZLMXUCWKE-UHFFFAOYSA-N	0	3	313.430	2.579	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000421710245	429018870	/nfs/dbraw/zinc/01/88/70/429018870.db2.gz	JOMDZQOPCMCAAH-INIZCTEOSA-N	0	3	317.408	2.528	20	30		DFEDHN
C=CCCOCCNC(=O)c1cccc(CN2CCCCC2)c1	ZINC000412214402	428985214	/nfs/dbraw/zinc/98/52/14/428985214.db2.gz	KBUKXLPRQPASCL-UHFFFAOYSA-N	0	3	316.445	2.995	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCCSC1	ZINC000433191186	429007977	/nfs/dbraw/zinc/00/79/77/429007977.db2.gz	ZKGLNGRBZALGKC-MRXNPFEDSA-N	0	3	320.458	2.911	20	30		DFEDHN
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1	ZINC000424085423	429090056	/nfs/dbraw/zinc/09/00/56/429090056.db2.gz	CXNBDRGQYHMOBB-BBRMVZONSA-N	0	3	303.406	2.672	20	30		DFEDHN
CCCCOc1ccc(OC)cc1NC(=O)[C@@H](N)CCCC#N	ZINC000424097362	429091259	/nfs/dbraw/zinc/09/12/59/429091259.db2.gz	JRDXVQCSJDMLMG-AWEZNQCLSA-N	0	3	319.405	2.834	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(COCC2CC2)c1	ZINC000424105456	429091360	/nfs/dbraw/zinc/09/13/60/429091360.db2.gz	JSSXVFJKMJWTCZ-INIZCTEOSA-N	0	3	301.390	2.573	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1ncc(-c2ccccc2)s1	ZINC000424105781	429091591	/nfs/dbraw/zinc/09/15/91/429091591.db2.gz	WNZQBMDFOLFFKU-LBPRGKRZSA-N	0	3	300.387	2.770	20	30		DFEDHN
CN(CCc1cccc2ccccc21)C(=O)[C@@H](N)CCCC#N	ZINC000424111182	429093164	/nfs/dbraw/zinc/09/31/64/429093164.db2.gz	GNMVFPYLLFEWFX-SFHVURJKSA-N	0	3	309.413	2.862	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000424120274	429095395	/nfs/dbraw/zinc/09/53/95/429095395.db2.gz	DRSLMZSMKMOGOB-HIFRSBDPSA-N	0	3	305.809	2.677	20	30		DFEDHN
COc1ccc(C(=O)C(C#N)c2ccncn2)c(OC(C)C)c1	ZINC000355541270	429052447	/nfs/dbraw/zinc/05/24/47/429052447.db2.gz	CPSRAHDQWWJIGC-AWEZNQCLSA-N	0	3	311.341	2.762	20	30		DFEDHN
C=CCC[C@H](N[C@H]1CCN[C@H]1C(=O)OCC)c1ccccc1	ZINC000422994719	429053484	/nfs/dbraw/zinc/05/34/84/429053484.db2.gz	IOHUZCJMRWDHLU-YESZJQIVSA-N	0	3	302.418	2.577	20	30		DFEDHN
C=CCC[C@H](N[C@@H]1CCN[C@H]1C(=O)OCC)c1ccccc1	ZINC000422994717	429053545	/nfs/dbraw/zinc/05/35/45/429053545.db2.gz	IOHUZCJMRWDHLU-GVDBMIGSSA-N	0	3	302.418	2.577	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000452117693	429060084	/nfs/dbraw/zinc/06/00/84/429060084.db2.gz	FHUMAYOQAXXOGL-KDOFPFPSSA-N	0	3	322.412	2.588	20	30		DFEDHN
C=CCn1c(C)cc(C(=O)CN(C)[C@@H]2CCN(C(C)C)C2)c1C	ZINC000452114063	429060112	/nfs/dbraw/zinc/06/01/12/429060112.db2.gz	JITQWTGUXACPSN-QGZVFWFLSA-N	0	3	317.477	2.888	20	30		DFEDHN
CCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F	ZINC000424130391	429097002	/nfs/dbraw/zinc/09/70/02/429097002.db2.gz	ZFPXZSCRRHNTRB-GJZGRUSLSA-N	0	3	309.360	2.943	20	30		DFEDHN
Cc1nsc(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1C#N	ZINC000376172757	429069691	/nfs/dbraw/zinc/06/96/91/429069691.db2.gz	NOOBJLGNCUYWAX-CORIIIEPSA-N	0	3	320.462	2.625	20	30		DFEDHN
C=CCCOCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1	ZINC000452174478	429079128	/nfs/dbraw/zinc/07/91/28/429079128.db2.gz	QFYNHWHBFRKFJO-INIZCTEOSA-N	0	3	308.466	2.692	20	30		DFEDHN
Cc1ccc(Br)cc1NC(=O)[C@H](N)CCCC#N	ZINC000424083732	429088601	/nfs/dbraw/zinc/08/86/01/429088601.db2.gz	NRGCXLIXIXCXLF-LLVKDONJSA-N	0	3	310.195	2.717	20	30		DFEDHN
N#Cc1ccc(/C=C/C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	ZINC000264557364	274921890	/nfs/dbraw/zinc/92/18/90/274921890.db2.gz	DWZIWBZEPDIBNR-GFOMBABLSA-N	0	3	309.413	2.658	20	30		DFEDHN
C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1	ZINC000453452138	429150266	/nfs/dbraw/zinc/15/02/66/429150266.db2.gz	LSCSGJSCXHNJRE-HNNXBMFYSA-N	0	3	305.470	2.897	20	30		DFEDHN
C=CCn1c(C2CC2)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000453448297	429151007	/nfs/dbraw/zinc/15/10/07/429151007.db2.gz	POFYGENLXHPJBW-SQWLQELKSA-N	0	3	315.465	2.508	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1CNCc1cc(O)ccc1Br	ZINC000424173934	429105206	/nfs/dbraw/zinc/10/52/06/429105206.db2.gz	NTQWOMLLDGEIOK-HZMBPMFUSA-N	0	3	312.207	2.835	20	30		DFEDHN
CC[C@H](CSc1ccccc1)NC(=O)[C@H](N)CCCC#N	ZINC000424177935	429106264	/nfs/dbraw/zinc/10/62/64/429106264.db2.gz	VMJWZTILULWRHY-UKRRQHHQSA-N	0	3	305.447	2.695	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)[C@@H](C)c2ccc(OC)cc2)nn1	ZINC000424291677	429121753	/nfs/dbraw/zinc/12/17/53/429121753.db2.gz	FAQJBMYNGTVIOS-KGLIPLIRSA-N	0	3	300.406	2.755	20	30		DFEDHN
C[C@@H](N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc(C#N)cc1	ZINC000363866213	429132090	/nfs/dbraw/zinc/13/20/90/429132090.db2.gz	ZIGOYOKXPSLBIH-RDTXWAMCSA-N	0	3	320.396	2.519	20	30		DFEDHN
C[C@@H]1C[C@H](N(C)C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C	ZINC000435355039	429132454	/nfs/dbraw/zinc/13/24/54/429132454.db2.gz	SNOSGYWDSLDRRZ-RHSMWYFYSA-N	0	3	311.429	2.531	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000452781888	429138924	/nfs/dbraw/zinc/13/89/24/429138924.db2.gz	XBQDNLDSVWHOEO-WMZOPIPTSA-N	0	3	310.482	2.842	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@]3(CCSC3)C2)CC1	ZINC000454539054	429166864	/nfs/dbraw/zinc/16/68/64/429166864.db2.gz	IRLHBDDNOBCZOH-QGZVFWFLSA-N	0	3	323.506	2.566	20	30		DFEDHN
CCc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N(C)C)cc1	ZINC000487896497	429172018	/nfs/dbraw/zinc/17/20/18/429172018.db2.gz	NWBSAWRDDQAOQK-SFHVURJKSA-N	0	3	308.429	3.539	20	30		DFEDHN
CN(Cc1ccccc1)C1(CNC(=O)NCCCC#N)CCC1	ZINC000454769029	429172250	/nfs/dbraw/zinc/17/22/50/429172250.db2.gz	ACBFGOHQJXDSAD-UHFFFAOYSA-N	0	3	314.433	2.644	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1C#N	ZINC000487887248	429172168	/nfs/dbraw/zinc/17/21/68/429172168.db2.gz	NMFXSRIXEDJZQC-QGZVFWFLSA-N	0	3	321.428	2.784	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000454956938	429177627	/nfs/dbraw/zinc/17/76/27/429177627.db2.gz	HUMNSONLCUROAE-WBVHZDCISA-N	0	3	301.434	2.915	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN(CCO)C1CCC(CC)CC1	ZINC000488234296	429178668	/nfs/dbraw/zinc/17/86/68/429178668.db2.gz	PHJBCWJXUZMCNF-UHFFFAOYSA-N	0	3	310.482	2.674	20	30		DFEDHN
C[C@@H]1C[C@@H]1N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1	ZINC000488733486	429193152	/nfs/dbraw/zinc/19/31/52/429193152.db2.gz	JSOMUCWMMFKHJW-IOASZLSFSA-N	0	3	314.389	2.633	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1	ZINC000277599725	275378786	/nfs/dbraw/zinc/37/87/86/275378786.db2.gz	GUZBEFBNDXBVKC-SFHVURJKSA-N	0	3	322.452	2.772	20	30		DFEDHN
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc(C#N)c(Cl)c2)CCN1C	ZINC000455776284	429211081	/nfs/dbraw/zinc/21/10/81/429211081.db2.gz	DZTIKGMVOCAIMO-PWSUYJOCSA-N	0	3	321.812	2.553	20	30		DFEDHN
CC(=O)N(C[C@H]1CCCN1Cc1ccc(C#N)c(C)c1)C1CC1	ZINC000489035503	429215771	/nfs/dbraw/zinc/21/57/71/429215771.db2.gz	FIENATQIDDFOQR-LJQANCHMSA-N	0	3	311.429	2.842	20	30		DFEDHN
CS[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1N(C)C	ZINC000439443226	429218334	/nfs/dbraw/zinc/21/83/34/429218334.db2.gz	AITXJPGCGJJFLO-HUUCEWRRSA-N	0	3	309.866	2.689	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(CC#N)c2)CCN1C	ZINC000455924717	429225740	/nfs/dbraw/zinc/22/57/40/429225740.db2.gz	WMRYEOIJCKOQJR-XJKSGUPXSA-N	0	3	300.406	2.699	20	30		DFEDHN
COc1cc(CN[C@@H](CO)Cc2ccccc2C)ccc1C#N	ZINC000440623350	429226401	/nfs/dbraw/zinc/22/64/01/429226401.db2.gz	WDYTZKWLLOSKRQ-GOSISDBHSA-N	0	3	310.397	2.569	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1	ZINC000456011642	429231901	/nfs/dbraw/zinc/23/19/01/429231901.db2.gz	UYSZZTSYQFUZQN-CJNGLKHVSA-N	0	3	300.406	2.813	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Nc1noc(C)c1C)C(C)C	ZINC000455680393	429197899	/nfs/dbraw/zinc/19/78/99/429197899.db2.gz	BUANYCDFBJIHEV-HNNXBMFYSA-N	0	3	320.437	3.112	20	30		DFEDHN
C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCOCC1	ZINC000424834894	429198716	/nfs/dbraw/zinc/19/87/16/429198716.db2.gz	ARZUMMWIIDYFEP-YESZJQIVSA-N	0	3	320.477	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)CC1	ZINC000488798206	429199591	/nfs/dbraw/zinc/19/95/91/429199591.db2.gz	JHCDPMXAQVVUIZ-INIZCTEOSA-N	0	3	305.466	2.857	20	30		DFEDHN
N#C[C@H]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)C1	ZINC000442856343	429238468	/nfs/dbraw/zinc/23/84/68/429238468.db2.gz	DEBBSAYQQBONEF-WMZOPIPTSA-N	0	3	313.445	2.995	20	30		DFEDHN
C=CCOCCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000495652964	429240568	/nfs/dbraw/zinc/24/05/68/429240568.db2.gz	QQHGHNFKDQYAPA-AWEZNQCLSA-N	0	3	312.454	2.814	20	30		DFEDHN
COc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)ccc1C#N	ZINC000442887988	429241109	/nfs/dbraw/zinc/24/11/09/429241109.db2.gz	CPMPZDQEXSKUBW-DLBZAZTESA-N	0	3	300.402	2.815	20	30		DFEDHN
C=CCOCCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000495662810	429241521	/nfs/dbraw/zinc/24/15/21/429241521.db2.gz	XACJSRBGMGZGRH-LSDHHAIUSA-N	0	3	310.438	2.520	20	30		DFEDHN
COc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)ccc1C#N	ZINC000442887990	429241732	/nfs/dbraw/zinc/24/17/32/429241732.db2.gz	CPMPZDQEXSKUBW-IRXDYDNUSA-N	0	3	300.402	2.815	20	30		DFEDHN
C=C[C@@H]1CCCCN1C[C@@H](O)COCc1cccc(OC)c1	ZINC000489441087	429242432	/nfs/dbraw/zinc/24/24/32/429242432.db2.gz	DAHJSYQUXMKMCP-IAGOWNOFSA-N	0	3	305.418	2.613	20	30		DFEDHN
C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCOCCC#N	ZINC000495660868	429242468	/nfs/dbraw/zinc/24/24/68/429242468.db2.gz	DKHMNBVWZREHMW-AWEZNQCLSA-N	0	3	317.389	2.566	20	30		DFEDHN
COCCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCSC1	ZINC000443070075	429246037	/nfs/dbraw/zinc/24/60/37/429246037.db2.gz	QHOMAFNNJKNXPV-MRXNPFEDSA-N	0	3	320.458	2.911	20	30		DFEDHN
CC(C)(C)OC(=O)N1CCC[C@@H](CNC[C@H](C#N)CCC#N)C1	ZINC000495709895	429251049	/nfs/dbraw/zinc/25/10/49/429251049.db2.gz	CODBDYQUWXRZOB-GJZGRUSLSA-N	0	3	320.437	2.667	20	30		DFEDHN
CC1C(NNc2cccc(F)n2)=CC(=O)N1C(=O)OC(C)(C)C	ZINC000495808660	429269504	/nfs/dbraw/zinc/26/95/04/429269504.db2.gz	GARZLTVNRHONJN-SECBINFHSA-N	0	3	322.340	2.545	20	30		DFEDHN
CC(C)N1CCC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1	ZINC000444312901	429269691	/nfs/dbraw/zinc/26/96/91/429269691.db2.gz	LSEIQMDPQZAZFZ-QGZVFWFLSA-N	0	3	311.429	2.579	20	30		DFEDHN
CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)c1	ZINC000444455132	429275543	/nfs/dbraw/zinc/27/55/43/429275543.db2.gz	RTRBHVQJVFPKHG-MRXNPFEDSA-N	0	3	322.368	2.850	20	30		DFEDHN
C=CCCC[C@H](C)[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1	ZINC000444809845	429277909	/nfs/dbraw/zinc/27/79/09/429277909.db2.gz	CIQGPZRJPGAMFI-ZDUSSCGKSA-N	0	3	320.437	2.906	20	30		DFEDHN
C=CCCC[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1	ZINC000444809845	429277913	/nfs/dbraw/zinc/27/79/13/429277913.db2.gz	CIQGPZRJPGAMFI-ZDUSSCGKSA-N	0	3	320.437	2.906	20	30		DFEDHN
CCn1ccnc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1	ZINC000456344270	429282310	/nfs/dbraw/zinc/28/23/10/429282310.db2.gz	FQWVTVRPOZFZRY-ZBFHGGJFSA-N	0	3	310.401	2.853	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(CCC)CCN(C)C)cc1	ZINC000448907560	429320613	/nfs/dbraw/zinc/32/06/13/429320613.db2.gz	CZBSMHVPDCHKSI-UHFFFAOYSA-N	0	3	304.434	2.594	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2ccc(Cl)c(OC)c2)CC1	ZINC000448919570	429321588	/nfs/dbraw/zinc/32/15/88/429321588.db2.gz	BKPFYAMEHMACDG-UHFFFAOYSA-N	0	3	322.836	2.658	20	30		DFEDHN
N#C[C@@]1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CC12CCCC2	ZINC000448932602	429321707	/nfs/dbraw/zinc/32/17/07/429321707.db2.gz	KGTOJISDQVNCDM-CRAIPNDOSA-N	0	3	301.434	2.547	20	30		DFEDHN
C#C[C@H](NC1CCC(CS(C)(=O)=O)CC1)c1ccc(F)cc1	ZINC000491071088	429323293	/nfs/dbraw/zinc/32/32/93/429323293.db2.gz	HZOCOYBXVMKSFC-IMRCBTMISA-N	0	3	323.433	2.693	20	30		DFEDHN
CCc1nc2n(n1)C[C@H](N[C@@H](CC)c1ccc(C#N)cc1)CC2	ZINC000365487231	429328206	/nfs/dbraw/zinc/32/82/06/429328206.db2.gz	BZALIOHSBACOLL-CVEARBPZSA-N	0	3	309.417	2.768	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2cc(CC)nc3ccccc32)CC1	ZINC000491192579	429333515	/nfs/dbraw/zinc/33/35/15/429333515.db2.gz	QDBNLZSDUGJSII-UHFFFAOYSA-N	0	3	321.424	2.763	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1	ZINC000456695299	429339233	/nfs/dbraw/zinc/33/92/33/429339233.db2.gz	OPFYLAUVCHLUJJ-KBXCAEBGSA-N	0	3	305.466	2.895	20	30		DFEDHN
C[C@H](NC1CCC(C)(C#N)CC1)c1nnnn1-c1ccccc1	ZINC000449138606	429342219	/nfs/dbraw/zinc/34/22/19/429342219.db2.gz	CPSQDYKGJFYILG-CBCUQQMYSA-N	0	3	310.405	2.785	20	30		DFEDHN
C#CCN(C(=S)NC[C@H]1CCCN1CC)C1CCCCC1	ZINC000490539369	429292102	/nfs/dbraw/zinc/29/21/02/429292102.db2.gz	LHOJEMHGUPZBBD-MRXNPFEDSA-N	0	3	307.507	2.613	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)N(C)C1CC1	ZINC000425461846	429301440	/nfs/dbraw/zinc/30/14/40/429301440.db2.gz	CSAYZBBUFJSHDJ-UONOGXRCSA-N	0	3	314.433	2.743	20	30		DFEDHN
COCC[C@]1(NCc2ccccc2C(C)(C)C#N)CCOC1	ZINC000447395218	429303774	/nfs/dbraw/zinc/30/37/74/429303774.db2.gz	NIIIIXDRKDWCLC-SFHVURJKSA-N	0	3	302.418	2.773	20	30		DFEDHN
COc1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)ccc1OCCO	ZINC000447563850	429305071	/nfs/dbraw/zinc/30/50/71/429305071.db2.gz	SPHZDHXXNAJKCJ-DZKIICNBSA-N	0	3	318.417	2.799	20	30		DFEDHN
C#CCN(C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C1CCCCC1	ZINC000490779439	429306198	/nfs/dbraw/zinc/30/61/98/429306198.db2.gz	WDGGENIYKFPXHF-GJZGRUSLSA-N	0	3	303.450	2.589	20	30		DFEDHN
COC(=O)[C@@H]1CN(CCCCC#N)C[C@H]1c1ccc(F)cc1F	ZINC000425515430	429314699	/nfs/dbraw/zinc/31/46/99/429314699.db2.gz	WXLPNPRISZUGFV-LSDHHAIUSA-N	0	3	322.355	2.847	20	30		DFEDHN
C=CCCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000425515819	429314827	/nfs/dbraw/zinc/31/48/27/429314827.db2.gz	LYFOVENLCBSPSV-ZWKOTPCHSA-N	0	3	313.445	2.869	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1	ZINC000448777032	429317483	/nfs/dbraw/zinc/31/74/83/429317483.db2.gz	ZTFHSADXBDBKPL-HOCLYGCPSA-N	0	3	322.412	2.760	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000517732298	429395215	/nfs/dbraw/zinc/39/52/15/429395215.db2.gz	AMYZBDCWOPCAPQ-ZBFHGGJFSA-N	0	3	318.417	2.677	20	30		DFEDHN
C#C[C@H](NC1CCN(C(=O)OCC)CC1)c1ccc(F)cc1	ZINC000491723609	429397138	/nfs/dbraw/zinc/39/71/38/429397138.db2.gz	CBDKKEZGRURGTK-INIZCTEOSA-N	0	3	304.365	2.711	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000491739833	429400944	/nfs/dbraw/zinc/40/09/44/429400944.db2.gz	UGUXLWPJNDBMOX-HUUCEWRRSA-N	0	3	301.434	2.779	20	30		DFEDHN
CC(C)CN1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000365930694	429405171	/nfs/dbraw/zinc/40/51/71/429405171.db2.gz	HSXVMCIPDNXOHS-UHFFFAOYSA-N	0	3	318.396	2.893	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1	ZINC000491786485	429408368	/nfs/dbraw/zinc/40/83/68/429408368.db2.gz	OYCVJXXSZCEUSQ-OFQRWUPVSA-N	0	3	319.474	2.794	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@@H]1CCN(c2cc(C)nn2C)C1=O	ZINC000449172865	429349676	/nfs/dbraw/zinc/34/96/76/429349676.db2.gz	MTLAKBPIQGTGFU-DZGCQCFKSA-N	0	3	304.438	2.558	20	30		DFEDHN
C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCCCCC1	ZINC000456834936	429352916	/nfs/dbraw/zinc/35/29/16/429352916.db2.gz	KDNOJFDMFRBWCC-CYBMUJFWSA-N	0	3	303.381	2.578	20	30		DFEDHN
CC(C)[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCCCC1	ZINC000456840419	429355389	/nfs/dbraw/zinc/35/53/89/429355389.db2.gz	PLFUIXHBHYAQPD-QGZVFWFLSA-N	0	3	317.408	2.824	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C1CC1	ZINC000491396113	429356204	/nfs/dbraw/zinc/35/62/04/429356204.db2.gz	WSNOPAYUGLLBSM-ZFWWWQNUSA-N	0	3	303.406	2.516	20	30		DFEDHN
C#CCN(C(=O)NC[C@H](N[C@H](C)CC)c1ccco1)C1CC1	ZINC000491396111	429356561	/nfs/dbraw/zinc/35/65/61/429356561.db2.gz	WSNOPAYUGLLBSM-HIFRSBDPSA-N	0	3	303.406	2.516	20	30		DFEDHN
C=CCCCC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1cccs1	ZINC000449210661	429358398	/nfs/dbraw/zinc/35/83/98/429358398.db2.gz	QVANSWLOWHXDSU-CYBMUJFWSA-N	0	3	316.492	2.751	20	30		DFEDHN
C#C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)C(C)C	ZINC000491483397	429365847	/nfs/dbraw/zinc/36/58/47/429365847.db2.gz	BQCXQHMITPAPNX-WDSOQIARSA-N	0	3	301.430	2.689	20	30		DFEDHN
N#Cc1csc(CNC[C@H]2CCCN2C2CCCCC2)n1	ZINC000514762018	429369525	/nfs/dbraw/zinc/36/95/25/429369525.db2.gz	RDEIPSTYNFKSEK-OAHLLOKOSA-N	0	3	304.463	2.901	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1sc2nccc(C)c2c1C	ZINC000491536066	429371145	/nfs/dbraw/zinc/37/11/45/429371145.db2.gz	HMFKIOFGKLFPJD-UHFFFAOYSA-N	0	3	315.442	2.598	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2cc(C)ccc2OC)CC1	ZINC000491548495	429373168	/nfs/dbraw/zinc/37/31/68/429373168.db2.gz	SPGDIMFQHYMUJK-SOFGYWHQSA-N	0	3	314.429	2.783	20	30		DFEDHN
Cc1cc(NC(=O)c2ncc(C#N)cc2C)ccc1CN(C)C	ZINC000515042245	429374210	/nfs/dbraw/zinc/37/42/10/429374210.db2.gz	OEELPWXCJIPYIV-UHFFFAOYSA-N	0	3	308.385	2.884	20	30		DFEDHN
CC(C)[C@@H](CO)[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C	ZINC000516186023	429380364	/nfs/dbraw/zinc/38/03/64/429380364.db2.gz	VSLZUQFEWNSCLC-NVXWUHKLSA-N	0	3	319.405	2.845	20	30		DFEDHN
C#CCN1CCC(c2nc(-c3cc4nc[nH]c4c(C)c3)no2)CC1	ZINC000491635162	429381252	/nfs/dbraw/zinc/38/12/52/429381252.db2.gz	VWBMUKARTYDUOT-UHFFFAOYSA-N	0	3	321.384	2.734	20	30		DFEDHN
CN(CCN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000516837531	429383936	/nfs/dbraw/zinc/38/39/36/429383936.db2.gz	NLOHWWQSXZAVJN-SFHVURJKSA-N	0	3	322.412	2.543	20	30		DFEDHN
N#CCC1(CNC[C@H](O)COc2cccc3ccccc32)CC1	ZINC000516966088	429384972	/nfs/dbraw/zinc/38/49/72/429384972.db2.gz	UNRHARFJMHGHQV-INIZCTEOSA-N	0	3	310.397	2.863	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000457049898	429386680	/nfs/dbraw/zinc/38/66/80/429386680.db2.gz	FUTXRVKFUYDPRR-QGZVFWFLSA-N	0	3	313.445	2.750	20	30		DFEDHN
C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1	ZINC000491671571	429389247	/nfs/dbraw/zinc/38/92/47/429389247.db2.gz	XDASDSBDTYJZAI-KGLIPLIRSA-N	0	3	305.447	2.548	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000491671572	429389369	/nfs/dbraw/zinc/38/93/69/429389369.db2.gz	XDASDSBDTYJZAI-UONOGXRCSA-N	0	3	305.447	2.548	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2c(F)cccc2F)CC1	ZINC000491942922	429439228	/nfs/dbraw/zinc/43/92/28/429439228.db2.gz	XOSUIIZFGHDKNH-FPLPWBNLSA-N	0	3	318.367	2.582	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1	ZINC000457323601	429445056	/nfs/dbraw/zinc/44/50/56/429445056.db2.gz	HUSNNDJXZCHQAS-BXKDBHETSA-N	0	3	308.179	2.667	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1	ZINC000427413413	429450011	/nfs/dbraw/zinc/45/00/11/429450011.db2.gz	MDOJVKKGRVNORL-NHYWBVRUSA-N	0	3	314.776	2.837	20	30		DFEDHN
CC(C#N)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1	ZINC000427413412	429450348	/nfs/dbraw/zinc/45/03/48/429450348.db2.gz	MDOJVKKGRVNORL-IAQYHMDHSA-N	0	3	314.776	2.837	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\SCc2ccco2)CC1	ZINC000492104858	429467724	/nfs/dbraw/zinc/46/77/24/429467724.db2.gz	ARUXMLFNYDDMEF-JYRVWZFOSA-N	0	3	318.442	2.630	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](C)CCCC(F)(F)F)CC1	ZINC000491819419	429415648	/nfs/dbraw/zinc/41/56/48/429415648.db2.gz	NWWVBNUHUPVWFL-GFCCVEGCSA-N	0	3	304.356	2.569	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)/C=C\C1CCOCC1)C(C)C	ZINC000491846901	429419432	/nfs/dbraw/zinc/41/94/32/429419432.db2.gz	PFJMXZBRDQLJLU-JTHGQSKGSA-N	0	3	320.477	2.784	20	30		DFEDHN
CN(CCOc1ccccc1C#N)Cc1ccc2c(c1)OCCO2	ZINC000518371723	429419951	/nfs/dbraw/zinc/41/99/51/429419951.db2.gz	JYORRVRPTSGEGJ-UHFFFAOYSA-N	0	3	324.380	2.840	20	30		DFEDHN
CO[C@@](C)(CNCc1cnc2ccc(C#N)cn12)c1ccccc1	ZINC000449484179	429431555	/nfs/dbraw/zinc/43/15/55/429431555.db2.gz	LMDZUBYFVGSRIA-IBGZPJMESA-N	0	3	320.396	2.857	20	30		DFEDHN
C=CCc1cc(CN2CC[C@@H](OC)[C@H](C)C2)cc(OC)c1O	ZINC000449493168	429432853	/nfs/dbraw/zinc/43/28/53/429432853.db2.gz	DLAVQOSLCPLNQT-CZUORRHYSA-N	0	3	305.418	2.986	20	30		DFEDHN
N#CCCN(Cc1ccco1)C(=O)C1CN(C2CCCCC2)C1	ZINC000457514778	429478406	/nfs/dbraw/zinc/47/84/06/429478406.db2.gz	UUNROLGLLNBVNI-UHFFFAOYSA-N	0	3	315.417	2.786	20	30		DFEDHN
N#CCCn1cc(CNC[C@H](O)C2CCC2)c(-c2ccccc2)n1	ZINC000449738700	429493813	/nfs/dbraw/zinc/49/38/13/429493813.db2.gz	DUJWFUSIXYLUNU-SFHVURJKSA-N	0	3	324.428	2.714	20	30		DFEDHN
C#CCCN1CCC(NC(=O)/C=C\c2ccc3[nH]ccc3c2)CC1	ZINC000492253838	429496665	/nfs/dbraw/zinc/49/66/65/429496665.db2.gz	UQTAAATWDLGJNJ-ALCCZGGFSA-N	0	3	321.424	2.785	20	30		DFEDHN
Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ncc1C#N	ZINC000457748861	429520294	/nfs/dbraw/zinc/52/02/94/429520294.db2.gz	RMFIKNMGVROHTK-RDTXWAMCSA-N	0	3	322.412	2.683	20	30		DFEDHN
C=CCC1(NC(=O)NC2CCN(CCOC)CC2)CCCCC1	ZINC000457996274	429562019	/nfs/dbraw/zinc/56/20/19/429562019.db2.gz	XTMLLTAHQIXKBG-UHFFFAOYSA-N	0	3	323.481	2.675	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000450130752	429570061	/nfs/dbraw/zinc/57/00/61/429570061.db2.gz	WIKYDLZTBOBSFU-KRWDZBQOSA-N	0	3	322.412	2.541	20	30		DFEDHN
C=CCCCCCN1CCC[C@H]1C(=O)NCC1CCOCC1	ZINC000367094038	429577834	/nfs/dbraw/zinc/57/78/34/429577834.db2.gz	WHNUCVLFEHMXAD-KRWDZBQOSA-N	0	3	308.466	2.740	20	30		DFEDHN
C=CC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	ZINC000450192671	429577996	/nfs/dbraw/zinc/57/79/96/429577996.db2.gz	KRBJUJCHUZFLGC-AWEZNQCLSA-N	0	3	301.434	2.935	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000522179977	429583736	/nfs/dbraw/zinc/58/37/36/429583736.db2.gz	OWRVAPCXLKTAKJ-KRWDZBQOSA-N	0	3	301.434	2.718	20	30		DFEDHN
C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC[C@@H]1C	ZINC000450258156	429586815	/nfs/dbraw/zinc/58/68/15/429586815.db2.gz	PFKAJLHXNYWLKM-RYUDHWBXSA-N	0	3	303.366	2.536	20	30		DFEDHN
CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1	ZINC000366922026	429539698	/nfs/dbraw/zinc/53/96/98/429539698.db2.gz	FOXZLWXJMRCCKS-KDOFPFPSSA-N	0	3	324.428	2.958	20	30		DFEDHN
COc1cc(CN[C@H]2CCCN(c3ccccn3)C2)ccc1C#N	ZINC000366922810	429540382	/nfs/dbraw/zinc/54/03/82/429540382.db2.gz	GXTCKYVJJJRZEO-KRWDZBQOSA-N	0	3	322.412	2.720	20	30		DFEDHN
CC(C)C[C@@H](CN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000189534233	275899791	/nfs/dbraw/zinc/89/97/91/275899791.db2.gz	CRHHLAFTKZPFAB-KRWDZBQOSA-N	0	3	313.445	2.682	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1	ZINC000458345380	429625567	/nfs/dbraw/zinc/62/55/67/429625567.db2.gz	VCAQOFULRBNVKF-DOTOQJQBSA-N	0	3	317.408	2.631	20	30		DFEDHN
CN(CC1(C#N)CCC1)C1CCN(CCc2ccccn2)CC1	ZINC000450465161	429633752	/nfs/dbraw/zinc/63/37/52/429633752.db2.gz	BHJGMVNMNHMHHS-UHFFFAOYSA-N	0	3	312.461	2.714	20	30		DFEDHN
C=CCC1(NC(=O)NCCN(C)CCCOC)CCCCC1	ZINC000458437443	429638776	/nfs/dbraw/zinc/63/87/76/429638776.db2.gz	LCMKSHYYXMVGAG-UHFFFAOYSA-N	0	3	311.470	2.533	20	30		DFEDHN
C[C@@H]1C[C@@H](N2CCCC2)CN1c1cccc(C#N)c1[N+](=O)[O-]	ZINC000450526286	429641648	/nfs/dbraw/zinc/64/16/48/429641648.db2.gz	UOGHRMGSTQPGFM-TZMCWYRMSA-N	0	3	300.362	2.529	20	30		DFEDHN
C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN(C2CC2)C1	ZINC000450544299	429644544	/nfs/dbraw/zinc/64/45/44/429644544.db2.gz	NLNXWYCNSMBQDB-AWEZNQCLSA-N	0	3	310.445	2.753	20	30		DFEDHN
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCCCC(C)(C)C#N)O1	ZINC000367226862	429602088	/nfs/dbraw/zinc/60/20/88/429602088.db2.gz	VLQYSERQMAQWHH-JJXSEGSLSA-N	0	3	322.449	2.890	20	30		DFEDHN
Cc1cc(C#N)nc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1	ZINC000367263707	429607646	/nfs/dbraw/zinc/60/76/46/429607646.db2.gz	GLDBTJLLUKHKLY-MRXNPFEDSA-N	0	3	321.428	2.758	20	30		DFEDHN
C=CCN1CCC(NC(=O)/C=C/c2ccc(F)c(C)c2)CC1	ZINC000492770279	429612149	/nfs/dbraw/zinc/61/21/49/429612149.db2.gz	GKZTZANUOOCGAZ-FNORWQNLSA-N	0	3	302.393	2.914	20	30		DFEDHN
C=CCOc1ccc(CC(=O)NCCN2CC=C(C)CC2)cc1	ZINC000450622168	429662808	/nfs/dbraw/zinc/66/28/08/429662808.db2.gz	JSXCXLXCOXZPFO-UHFFFAOYSA-N	0	3	314.429	2.562	20	30		DFEDHN
N#Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000367557619	429671009	/nfs/dbraw/zinc/67/10/09/429671009.db2.gz	RPQVZPWCZWFCEZ-GOSISDBHSA-N	0	3	323.440	2.783	20	30		DFEDHN
CCN(CC1CCN(C(=O)C(C)C#N)CC1)C(=O)OC(C)(C)C	ZINC000493034865	429673515	/nfs/dbraw/zinc/67/35/15/429673515.db2.gz	IIFSKKCPXXJNTP-CYBMUJFWSA-N	0	3	323.437	2.642	20	30		DFEDHN
C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1cnccn1	ZINC000525858691	429683238	/nfs/dbraw/zinc/68/32/38/429683238.db2.gz	QFYAKPKWWOCLFS-IUDNXUCKSA-N	0	3	323.400	2.784	20	30		DFEDHN
C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1ccn(C)n1	ZINC000459746308	429702661	/nfs/dbraw/zinc/70/26/61/429702661.db2.gz	ITYKOFXTHREKJP-AWEZNQCLSA-N	0	3	309.417	2.611	20	30		DFEDHN
Cn1cccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1=O	ZINC000430641612	429705980	/nfs/dbraw/zinc/70/59/80/429705980.db2.gz	MLISHQXLIFIGJA-NSHDSACASA-N	0	3	315.398	2.629	20	30		DFEDHN
Cc1cc(C#N)nc(N2CCCN(Cc3ccccc3)C[C@H]2C)n1	ZINC000367732932	429708514	/nfs/dbraw/zinc/70/85/14/429708514.db2.gz	FOCAFHZXTBVKTQ-MRXNPFEDSA-N	0	3	321.428	2.758	20	30		DFEDHN
Cc1ccc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)nc1C#N	ZINC000468726430	429710037	/nfs/dbraw/zinc/71/00/37/429710037.db2.gz	SCDZJXSWGNPDEK-WBVHZDCISA-N	0	3	306.413	3.509	20	30		DFEDHN
CCCC[C@@H](CC)CN1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472161487	429714307	/nfs/dbraw/zinc/71/43/07/429714307.db2.gz	LVYLWITWAKJTSV-MRXNPFEDSA-N	0	3	317.481	2.939	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@@H]1CCCCCC[C@@H]1C(=O)OC	ZINC000481440482	429723150	/nfs/dbraw/zinc/72/31/50/429723150.db2.gz	UVLWMQSRZXOWEX-JKSUJKDBSA-N	0	3	324.465	2.513	20	30		DFEDHN
C=CCN1CCC(NCc2cc(OCC)c(OC)cc2F)CC1	ZINC000527656272	429773460	/nfs/dbraw/zinc/77/34/60/429773460.db2.gz	GJHZJPJGCIQNMZ-UHFFFAOYSA-N	0	3	322.424	2.973	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN(C2CC2)C1	ZINC000493508711	429776324	/nfs/dbraw/zinc/77/63/24/429776324.db2.gz	APVXEUZLFWNVET-WUKHSURWSA-N	0	3	309.413	2.514	20	30		DFEDHN
C=CCN1CC[C@H](N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)C1=O	ZINC000451151591	429776428	/nfs/dbraw/zinc/77/64/28/429776428.db2.gz	ZGCOYPJWYVCPBO-RNJOBUHISA-N	0	3	304.356	2.825	20	30		DFEDHN
C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F	ZINC000493572304	429788486	/nfs/dbraw/zinc/78/84/86/429788486.db2.gz	JZAZYMJGFBEPCC-ZBFHGGJFSA-N	0	3	310.344	2.800	20	30		DFEDHN
COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)c(F)c1	ZINC000451240385	429793434	/nfs/dbraw/zinc/79/34/34/429793434.db2.gz	ZCTWMMZHFHSAOZ-ZBFHGGJFSA-N	0	3	304.365	2.909	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)CC1	ZINC000527768376	429794796	/nfs/dbraw/zinc/79/47/96/429794796.db2.gz	MPYFMWHZMYFHFS-LSDHHAIUSA-N	0	3	305.447	2.554	20	30		DFEDHN
N#Cc1ccc(/C=C\C(=O)NC[C@@H]2CCCCN2C2CC2)cc1	ZINC000493757737	429823758	/nfs/dbraw/zinc/82/37/58/429823758.db2.gz	OUZDHCMMMNHRLE-YFWYWMRJSA-N	0	3	309.413	2.705	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	ZINC000451477121	429832009	/nfs/dbraw/zinc/83/20/09/429832009.db2.gz	HEUATJHGBMAKDH-OIISXLGYSA-N	0	3	300.402	2.860	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(SC)c1	ZINC000451598926	429860280	/nfs/dbraw/zinc/86/02/80/429860280.db2.gz	MIESKNVACQNXQQ-DFBGVHRSSA-N	0	3	306.431	2.669	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2cc(C)ccc2F)C1=O	ZINC000451609278	429861282	/nfs/dbraw/zinc/86/12/82/429861282.db2.gz	VMDIXNWLPNSMQF-VYDXJSESSA-N	0	3	318.392	2.563	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(OC(F)F)c1	ZINC000494493585	429876988	/nfs/dbraw/zinc/87/69/88/429876988.db2.gz	NRDPQHPFGLWQCX-HIFRSBDPSA-N	0	3	308.328	2.817	20	30		DFEDHN
CC1(C)CC[C@H](N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1	ZINC000368633313	429880379	/nfs/dbraw/zinc/88/03/79/429880379.db2.gz	QPZBZYVBIHSRIV-BIENJYKASA-N	0	3	309.413	2.911	20	30		DFEDHN
N#CC1(C[C@H](O)CN2CCC[C@]3(C2)OCc2ccccc23)CC1	ZINC000528460630	429890712	/nfs/dbraw/zinc/89/07/12/429890712.db2.gz	ZKFDTRCSOICYTL-QFBILLFUSA-N	0	3	312.413	2.563	20	30		DFEDHN
COc1ccc([C@@H](NC[C@@H](O)c2ccc(C#N)cc2)C2CC2)cn1	ZINC000528844082	429919754	/nfs/dbraw/zinc/91/97/54/429919754.db2.gz	AEINIGSQTWAXMT-MJGOQNOKSA-N	0	3	323.396	2.736	20	30		DFEDHN
CCN1CCCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)n1	ZINC000573646306	429967551	/nfs/dbraw/zinc/96/75/51/429967551.db2.gz	ROIQYXAQYSMROG-LLVKDONJSA-N	0	3	312.339	3.258	20	30		DFEDHN
C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1N1CC[C@H](OC)C1	ZINC000637024685	429969060	/nfs/dbraw/zinc/96/90/60/429969060.db2.gz	UNINEFCXPDXLIL-LUKYLMHMSA-N	0	3	323.481	2.672	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C[C@@H]2CCOC2)C1	ZINC000369421490	429941181	/nfs/dbraw/zinc/94/11/81/429941181.db2.gz	CKLICQXLKJVUFG-KSZLIROESA-N	0	3	320.477	2.714	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](CCNC(C)=O)C1	ZINC000557520757	429943300	/nfs/dbraw/zinc/94/33/00/429943300.db2.gz	GKPUMBTZJSUBPW-KRWDZBQOSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C[C@@H]2CCOC2)C1	ZINC000369426046	429943971	/nfs/dbraw/zinc/94/39/71/429943971.db2.gz	LISLLAHVXGWAPB-BZSNNMDCSA-N	0	3	322.493	2.938	20	30		DFEDHN
COC[C@]1(N[C@H]2CCC[C@H](C#N)C2)COc2ccccc2C1	ZINC000529669993	430048876	/nfs/dbraw/zinc/04/88/76/430048876.db2.gz	ZGMQNOGJFUDRDC-ZVZYQTTQSA-N	0	3	300.402	2.679	20	30		DFEDHN
CCC[C@@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1	ZINC000574376366	430036031	/nfs/dbraw/zinc/03/60/31/430036031.db2.gz	KWMRDENSEPNULZ-GOSISDBHSA-N	0	3	321.428	2.839	20	30		DFEDHN
N#CCc1cccc(NC[C@@H](O)CN2CCc3ccccc3C2)c1	ZINC000574270555	430026726	/nfs/dbraw/zinc/02/67/26/430026726.db2.gz	CXQLVUXOTYXISH-HXUWFJFHSA-N	0	3	321.424	2.584	20	30		DFEDHN
C[C@@H]1CC(F)(F)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000530008292	430095603	/nfs/dbraw/zinc/09/56/03/430095603.db2.gz	FEBORZFGSFCUCF-DOMZBBRYSA-N	0	3	317.339	2.887	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C)C[C@@H]2CC)cc1OC	ZINC000576059281	430101137	/nfs/dbraw/zinc/10/11/37/430101137.db2.gz	XQHGXYKZMSIBSU-INIZCTEOSA-N	0	3	304.434	2.786	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2F)cs1	ZINC000576027410	430101490	/nfs/dbraw/zinc/10/14/90/430101490.db2.gz	FVNFHRGGLNXLEN-LBPRGKRZSA-N	0	3	318.377	2.909	20	30		DFEDHN
Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COc1ccccc1C#N	ZINC000530231080	430105114	/nfs/dbraw/zinc/10/51/14/430105114.db2.gz	LYGOTSPASOLBRT-PKOBYXMFSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#Cc1csc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1	ZINC000529723128	430061431	/nfs/dbraw/zinc/06/14/31/430061431.db2.gz	PJVZGAMKASYBPJ-CQSZACIVSA-N	0	3	303.431	2.757	20	30		DFEDHN
CC(C#N)C(=O)NCc1ccc(Br)c(F)c1F	ZINC000529878798	430081374	/nfs/dbraw/zinc/08/13/74/430081374.db2.gz	WFUGRERGUOEURX-LURJTMIESA-N	0	3	303.106	2.503	20	30		DFEDHN
C=CCC[C@@H](O)CN1CCC(Oc2ccc(OC)cc2)CC1	ZINC000532124540	430151170	/nfs/dbraw/zinc/15/11/70/430151170.db2.gz	SYLOSAKPPJILHM-OAHLLOKOSA-N	0	3	305.418	2.866	20	30		DFEDHN
CN1CCN(c2ccncc2NC2CCC(C)(C#N)CC2)CC1	ZINC000562654661	430161777	/nfs/dbraw/zinc/16/17/77/430161777.db2.gz	YHVKXPVMHQUJLH-UHFFFAOYSA-N	0	3	313.449	2.718	20	30		DFEDHN
C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cc2ccccc2s1	ZINC000577948209	430117421	/nfs/dbraw/zinc/11/74/21/430117421.db2.gz	REBORFGCZRMMAE-HIFRSBDPSA-N	0	3	317.458	2.758	20	30		DFEDHN
N#Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)nc1	ZINC000581140781	430182612	/nfs/dbraw/zinc/18/26/12/430182612.db2.gz	RHNVBKONUXDFBQ-INIZCTEOSA-N	0	3	321.428	2.866	20	30		DFEDHN
COc1ccc(CN(C(=O)C(C)C#N)[C@H](C)C2CC2)c(OC)c1	ZINC000563395014	430187863	/nfs/dbraw/zinc/18/78/63/430187863.db2.gz	OOUHQNSPFLUDQN-CHWSQXEVSA-N	0	3	316.401	2.991	20	30		DFEDHN
CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)CN(C)CCC#N)CC2	ZINC000564873803	430200772	/nfs/dbraw/zinc/20/07/72/430200772.db2.gz	SAJZEFNHPNVDRW-MJGOQNOKSA-N	0	3	315.461	2.593	20	30		DFEDHN
Cc1csc(NC(=O)NCCN2CCCCCC2)c1C#N	ZINC000566420939	430259915	/nfs/dbraw/zinc/25/99/15/430259915.db2.gz	SRAOEICABXJJNX-UHFFFAOYSA-N	0	3	306.435	2.926	20	30		DFEDHN
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CN1CC[C@@H](C)C1	ZINC000566456748	430262692	/nfs/dbraw/zinc/26/26/92/430262692.db2.gz	WFCGLYRCCFUHPK-MRXNPFEDSA-N	0	3	318.465	2.711	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC(c2cc[nH]n2)CC1	ZINC000566575173	430269884	/nfs/dbraw/zinc/26/98/84/430269884.db2.gz	YOAIYKJKFYWBIZ-KRWDZBQOSA-N	0	3	322.412	2.888	20	30		DFEDHN
N#CC1CCC(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1	ZINC000566669015	430270577	/nfs/dbraw/zinc/27/05/77/430270577.db2.gz	LUORKLLEOLAQHH-FVKWTLKZSA-N	0	3	313.380	2.953	20	30		DFEDHN
Cc1cccc2c1CC[C@@H]2NC[C@H](O)COc1ccc(C#N)cc1	ZINC000582176393	430274417	/nfs/dbraw/zinc/27/44/17/430274417.db2.gz	QYRFLBLQFCAQHC-JXFKEZNVSA-N	0	3	322.408	2.884	20	30		DFEDHN
N#C[C@H]1CC[C@@H](NC[C@H](O)COc2cccc3ccccc32)C1	ZINC000566968981	430276684	/nfs/dbraw/zinc/27/66/84/430276684.db2.gz	OCPWSNJYQDRVDP-UAGQMJEPSA-N	0	3	310.397	2.861	20	30		DFEDHN
N#CC1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1	ZINC000565765895	430226272	/nfs/dbraw/zinc/22/62/72/430226272.db2.gz	ROWCYZZNJXRKPB-GOSISDBHSA-N	0	3	322.412	2.785	20	30		DFEDHN
N#Cc1c(N[C@H]2CCN(Cc3ccccc3)C2)nc2ccccn12	ZINC000542943801	430232819	/nfs/dbraw/zinc/23/28/19/430232819.db2.gz	ZFLBSIQWRJOCJG-INIZCTEOSA-N	0	3	317.396	2.892	20	30		DFEDHN
CC(C)(CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCCC1	ZINC000568023394	430307680	/nfs/dbraw/zinc/30/76/80/430307680.db2.gz	UGRFIUSGRNXLTR-SFHVURJKSA-N	0	3	303.450	2.841	20	30		DFEDHN
N#CC1(CCN2CCC(Nc3cccnn3)CC2)CCCCC1	ZINC000568483884	430361593	/nfs/dbraw/zinc/36/15/93/430361593.db2.gz	UUBMLLYLASVFDL-UHFFFAOYSA-N	0	3	313.449	3.217	20	30		DFEDHN
C=CCC[C@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C	ZINC000641759580	430463544	/nfs/dbraw/zinc/46/35/44/430463544.db2.gz	GRDOQWMUVFTGSY-GOSISDBHSA-N	0	3	313.445	2.965	20	30		DFEDHN
CC#CC[C@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1	ZINC000641767642	430467054	/nfs/dbraw/zinc/46/70/54/430467054.db2.gz	NFOWZWRQNGYHDP-CYBMUJFWSA-N	0	3	301.308	2.578	20	30		DFEDHN
CC#CC[C@H](CO)NCc1ccccc1OCc1cccnc1	ZINC000641768746	430467634	/nfs/dbraw/zinc/46/76/34/430467634.db2.gz	GZJZUHYMQJNQQN-GOSISDBHSA-N	0	3	310.397	2.525	20	30		DFEDHN
CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1ccc(F)cc1	ZINC000590574885	430486850	/nfs/dbraw/zinc/48/68/50/430486850.db2.gz	QSJBENFMYKHNAN-GFCCVEGCSA-N	0	3	324.812	3.522	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1	ZINC000594444144	430500723	/nfs/dbraw/zinc/50/07/23/430500723.db2.gz	LKHCKMQNBHIZND-CQSZACIVSA-N	0	3	317.437	3.197	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1=O	ZINC000569965419	430502003	/nfs/dbraw/zinc/50/20/03/430502003.db2.gz	SSJXIBSPDSSHDD-FRRDWIJNSA-N	0	3	304.356	2.826	20	30		DFEDHN
CCc1nc(C#N)cc(NC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000596053165	430505626	/nfs/dbraw/zinc/50/56/26/430505626.db2.gz	MAMCDNUVJVOQRQ-KRWDZBQOSA-N	0	3	321.428	3.160	20	30		DFEDHN
CCc1nc(C#N)cc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)n1	ZINC000596232556	430511538	/nfs/dbraw/zinc/51/15/38/430511538.db2.gz	VTRBCGXPOJXSFT-IFXJQAMLSA-N	0	3	323.444	3.322	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)CC1(C#N)CC1	ZINC000599256252	430528455	/nfs/dbraw/zinc/52/84/55/430528455.db2.gz	YAZMPBSKPMNKOS-HNNXBMFYSA-N	0	3	318.417	2.580	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cnc(C(C)(C)C)nc2)nc(C)n1	ZINC000570481580	430547707	/nfs/dbraw/zinc/54/77/07/430547707.db2.gz	OMOWZPRUWNMNDT-CYBMUJFWSA-N	0	3	309.373	2.671	20	30		DFEDHN
COc1ccc(C[C@H](C)NC[C@@H](C#N)CCC#N)cc1OC	ZINC000570509628	430549649	/nfs/dbraw/zinc/54/96/49/430549649.db2.gz	IEWAQKPCYISCIA-DZGCQCFKSA-N	0	3	301.390	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C2CC2)o1)C(C)C	ZINC000639517367	430660441	/nfs/dbraw/zinc/66/04/41/430660441.db2.gz	IIQCUCKBFWZSPK-HNNXBMFYSA-N	0	3	317.433	2.980	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000553691918	430621475	/nfs/dbraw/zinc/62/14/75/430621475.db2.gz	JKXLXTCLVZJMPX-AWEZNQCLSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC[C@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc2C1	ZINC000554487855	430637565	/nfs/dbraw/zinc/63/75/65/430637565.db2.gz	VOPAWLHUJQFEAT-QFBILLFUSA-N	0	3	310.445	2.856	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCOC[C@H]2C)CC1	ZINC000555879154	430675622	/nfs/dbraw/zinc/67/56/22/430675622.db2.gz	VPKFVKZXXUYRAY-CVEARBPZSA-N	0	3	313.445	2.804	20	30		DFEDHN
C=C(C)Cn1c(N2CC[C@@H](N3CCCC3)C2)nnc1C(C)(C)C	ZINC000555258525	430662915	/nfs/dbraw/zinc/66/29/15/430662915.db2.gz	MZTILFJFTVSWIP-OAHLLOKOSA-N	0	3	317.481	2.826	20	30		DFEDHN
N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(OC(F)F)c1	ZINC000572479651	430688247	/nfs/dbraw/zinc/68/82/47/430688247.db2.gz	CNAWLCXDKZUGHQ-KGLIPLIRSA-N	0	3	308.328	2.770	20	30		DFEDHN
C=CCOc1ccccc1CNC(=O)C[C@H](N)Cc1ccccc1	ZINC000572952442	430698185	/nfs/dbraw/zinc/69/81/85/430698185.db2.gz	RFWBSZLLIJQCBV-GOSISDBHSA-N	0	3	324.424	2.828	20	30		DFEDHN
Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2	ZINC000572954545	430698444	/nfs/dbraw/zinc/69/84/44/430698444.db2.gz	NLDCINCYPJDGMC-SFHVURJKSA-N	0	3	312.417	2.816	20	30		DFEDHN
C[C@@H]1CCN(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000573017368	430699159	/nfs/dbraw/zinc/69/91/59/430699159.db2.gz	CUFZTPXJPDRCPS-CYBMUJFWSA-N	0	3	324.346	2.515	20	30		DFEDHN
C=CCCNC(=O)N1CCCN(CCCc2ccccc2)CC1	ZINC000661571094	430762878	/nfs/dbraw/zinc/76/28/78/430762878.db2.gz	QIIRRHWSQNPGMG-UHFFFAOYSA-N	0	3	315.461	2.913	20	30		DFEDHN
C=CCCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	ZINC000658116220	430817274	/nfs/dbraw/zinc/81/72/74/430817274.db2.gz	ZZKLNTZXKQELJG-MRVPVSSYSA-N	0	3	323.245	2.868	20	30		DFEDHN
C=CCN(CC(=O)NCc1cccc(COC)c1)C(C)(C)C	ZINC000661756626	430831307	/nfs/dbraw/zinc/83/13/07/430831307.db2.gz	TVUIDBFSYMVOPW-UHFFFAOYSA-N	0	3	304.434	2.736	20	30		DFEDHN
C=CCN(CC(=O)NCc1ccc(COC)cc1)C(C)(C)C	ZINC000661756214	430831611	/nfs/dbraw/zinc/83/16/11/430831611.db2.gz	FWUMUIZLBHQOIO-UHFFFAOYSA-N	0	3	304.434	2.736	20	30		DFEDHN
C=CCN(CC(=O)NCCc1ccccc1OC)C(C)(C)C	ZINC000661755412	430831945	/nfs/dbraw/zinc/83/19/45/430831945.db2.gz	QBFLBIPWONQMES-UHFFFAOYSA-N	0	3	304.434	2.640	20	30		DFEDHN
C=CCCCC[C@H](C)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O	ZINC000648464089	430796910	/nfs/dbraw/zinc/79/69/10/430796910.db2.gz	AQCYLLMOTJRVFS-LZWOXQAQSA-N	0	3	304.438	2.638	20	30		DFEDHN
O[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C12CCC2	ZINC000661832295	430856487	/nfs/dbraw/zinc/85/64/87/430856487.db2.gz	AFTBDPGTUMZMIC-LSDHHAIUSA-N	0	3	309.331	2.950	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2	ZINC000661836741	430858815	/nfs/dbraw/zinc/85/88/15/430858815.db2.gz	ACVUXKSLPATJFA-JKSUJKDBSA-N	0	3	320.477	2.903	20	30		DFEDHN
C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nc(-c3nc[n-]n3)no2)C(C)C)C1	ZINC000651739069	430862488	/nfs/dbraw/zinc/86/24/88/430862488.db2.gz	HZIHXMQSNZMBJS-FRRDWIJNSA-N	0	3	316.409	2.886	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NCc2cccc(N3CCOCC3)n2)C1	ZINC000651766395	430871424	/nfs/dbraw/zinc/87/14/24/430871424.db2.gz	FYPPKNRMZPYCAG-HZPDHXFCSA-N	0	3	301.434	2.753	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000661881845	430881474	/nfs/dbraw/zinc/88/14/74/430881474.db2.gz	URCSCLVTEQAKAU-DLBZAZTESA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN1CCC(C)CC1	ZINC000661894185	430884511	/nfs/dbraw/zinc/88/45/11/430884511.db2.gz	NSATXZXMARNMHY-ZACQAIPSSA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CC[C@@H]1CC[C@@H](NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C1	ZINC000651843017	430894302	/nfs/dbraw/zinc/89/43/02/430894302.db2.gz	RDDBBZNTDSQKND-RBSFLKMASA-N	0	3	321.442	2.556	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1cccc(OC)c1	ZINC000662078875	430949690	/nfs/dbraw/zinc/94/96/90/430949690.db2.gz	DGVODGDNOURNBW-CALCHBBNSA-N	0	3	314.429	2.837	20	30		DFEDHN
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC(OC)CC1	ZINC000665391784	430918846	/nfs/dbraw/zinc/91/88/46/430918846.db2.gz	KHNJANXPMYONLE-RDJZCZTQSA-N	0	3	323.481	2.531	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3c(c2)CCOC3)nc(C)n1	ZINC000659026156	430944234	/nfs/dbraw/zinc/94/42/34/430944234.db2.gz	YGRKXRFMOQPTEI-MRXNPFEDSA-N	0	3	307.353	2.656	20	30		DFEDHN
C=C(C)CN(CC)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1	ZINC000659035369	430946619	/nfs/dbraw/zinc/94/66/19/430946619.db2.gz	WBEUNMGVPFKJKI-INIZCTEOSA-N	0	3	303.406	2.777	20	30		DFEDHN
C=C[C@H]1CCCCN1C(=O)Nc1ccc([C@H]2CNCCO2)cc1	ZINC000659043697	430948645	/nfs/dbraw/zinc/94/86/45/430948645.db2.gz	PWHZGPAHQKZJRD-DLBZAZTESA-N	0	3	315.417	2.920	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCCCC1	ZINC000649140635	431012346	/nfs/dbraw/zinc/01/23/46/431012346.db2.gz	FFKANAGKAKVWQG-KRWDZBQOSA-N	0	3	320.477	2.883	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCc1cccs1	ZINC000662079067	430951114	/nfs/dbraw/zinc/95/11/14/430951114.db2.gz	FPDDGJLUCZYWOI-SOUVJXGZSA-N	0	3	304.459	2.978	20	30		DFEDHN
COc1cccc(C(=O)C(C#N)c2ccncn2)c1OC(C)C	ZINC000659114466	430951426	/nfs/dbraw/zinc/95/14/26/430951426.db2.gz	CHRQJMOOSIQRBU-CYBMUJFWSA-N	0	3	311.341	2.762	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000662083309	430952784	/nfs/dbraw/zinc/95/27/84/430952784.db2.gz	CEYKFMVOHLZXKU-UXLLHSPISA-N	0	3	312.413	2.984	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000665554503	430968393	/nfs/dbraw/zinc/96/83/93/430968393.db2.gz	MXRMKBFLYVWUIE-HNNXBMFYSA-N	0	3	319.449	2.893	20	30		DFEDHN
C=CCCCCN(C)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000649330454	431068125	/nfs/dbraw/zinc/06/81/25/431068125.db2.gz	UMWLAEFJHCNXKZ-UHFFFAOYSA-N	0	3	310.463	2.561	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1Nc1ccnc2cc(OC)c(OC)cc21	ZINC000665722131	431016651	/nfs/dbraw/zinc/01/66/51/431016651.db2.gz	ARVSYOJIYHVKGU-ZBFHGGJFSA-N	0	3	314.385	2.819	20	30		DFEDHN
C=CCCNC(=O)N(CCCc1ccccc1)CCN(C)C	ZINC000665947335	431072812	/nfs/dbraw/zinc/07/28/12/431072812.db2.gz	ITDZFQNNDIRFGX-UHFFFAOYSA-N	0	3	303.450	2.769	20	30		DFEDHN
C=C(C)Cn1c(CC2CC2)nnc1N(C)CCN1CCCCC1	ZINC000652626073	431104488	/nfs/dbraw/zinc/10/44/88/431104488.db2.gz	AYMWBMLXUWMTKX-UHFFFAOYSA-N	0	3	317.481	2.729	20	30		DFEDHN
Cc1nc(N2CC[C@H](N3CCCC3)[C@H]2C)c(Cl)cc1C#N	ZINC000292504984	279093494	/nfs/dbraw/zinc/09/34/94/279093494.db2.gz	GBMPPNXJXMBTMS-DOMZBBRYSA-N	0	3	304.825	2.978	20	30		DFEDHN
CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H](C)OC	ZINC000291025158	279242118	/nfs/dbraw/zinc/24/21/18/279242118.db2.gz	DBUDYRVZZOXOBW-CQSZACIVSA-N	0	3	312.417	2.816	20	30		DFEDHN
C=C(CC)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000649750963	431274887	/nfs/dbraw/zinc/27/48/87/431274887.db2.gz	CAFBLSBCFCNSHJ-MOPGFXCFSA-N	0	3	300.446	2.928	20	30		DFEDHN
C[C@@H](CCO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000649870230	431339225	/nfs/dbraw/zinc/33/92/25/431339225.db2.gz	XYGBHNHRGDCYHB-LBPRGKRZSA-N	0	3	301.308	2.639	20	30		DFEDHN
C=CCCNC(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000660336157	431386071	/nfs/dbraw/zinc/38/60/71/431386071.db2.gz	ILBGNZBQEZTZGT-UHFFFAOYSA-N	0	3	301.434	2.569	20	30		DFEDHN
C=CCCC1(CNC(=O)N[C@H]2CCN(CCOC)C2)CCCC1	ZINC000660704803	431558249	/nfs/dbraw/zinc/55/82/49/431558249.db2.gz	QMUCKWGWUOPFPT-INIZCTEOSA-N	0	3	323.481	2.533	20	30		DFEDHN
C=C(C)[C@H](CO)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000656858490	431552623	/nfs/dbraw/zinc/55/26/23/431552623.db2.gz	LSJSZGAXEGJUFQ-QWHCGFSZSA-N	0	3	307.356	2.604	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1N(C)CCCC1(C)C	ZINC000661097703	431729944	/nfs/dbraw/zinc/72/99/44/431729944.db2.gz	VRKMTGULVVOCGZ-OWCLPIDISA-N	0	3	305.466	2.999	20	30		DFEDHN
C=CCCOCCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000654319733	431746259	/nfs/dbraw/zinc/74/62/59/431746259.db2.gz	PMVJEUGQMWPQEE-IRXDYDNUSA-N	0	3	308.466	2.883	20	30		DFEDHN
C=CCN(CCC(=O)Nc1cccc(OC)c1)[C@H](C)COC	ZINC000661241550	431791652	/nfs/dbraw/zinc/79/16/52/431791652.db2.gz	AMXKQTXBTOCJAV-CQSZACIVSA-N	0	3	306.406	2.547	20	30		DFEDHN
C=CCN(C[C@H](O)COc1cc(C)ccc1C)[C@H](C)COC	ZINC000661248150	431796444	/nfs/dbraw/zinc/79/64/44/431796444.db2.gz	SFWCLYWOPAWFIP-SJORKVTESA-N	0	3	307.434	2.566	20	30		DFEDHN
C=CCC1(NCc2cc(C(F)(F)F)nn2C)CCOCC1	ZINC000657634074	431830235	/nfs/dbraw/zinc/83/02/35/431830235.db2.gz	AMCLKHLWLSNNFM-UHFFFAOYSA-N	0	3	303.328	2.654	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)N2CCc3sccc3C2)C1	ZINC000661377534	431836665	/nfs/dbraw/zinc/83/66/65/431836665.db2.gz	PECXTZDMXYLEPS-CQSZACIVSA-N	0	3	304.459	2.921	20	30		DFEDHN
C=CC[C@H]1CCCN(C[C@H](O)COc2cccc(C(C)=O)c2)C1	ZINC000661379342	431836971	/nfs/dbraw/zinc/83/69/71/431836971.db2.gz	WTSULNZFBBMCJE-WMZOPIPTSA-N	0	3	317.429	2.917	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C#N)[nH]1)N(C)C	ZINC000357869727	281360595	/nfs/dbraw/zinc/36/05/95/281360595.db2.gz	MRNIMRVNDSLNPD-CXAGYDPISA-N	0	3	310.401	2.616	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000159228514	295374042	/nfs/dbraw/zinc/37/40/42/295374042.db2.gz	YQSNICLDUCTMJG-ZBFHGGJFSA-N	0	3	317.820	2.768	20	30		DFEDHN
N#Cc1ccc(OCCN2CCN(C3CCCCC3)CC2)cc1	ZINC000162969458	295419032	/nfs/dbraw/zinc/41/90/32/295419032.db2.gz	CEGXRUAHIYQIHS-UHFFFAOYSA-N	0	3	313.445	2.887	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1CN1CCCCC1	ZINC000119687476	301073935	/nfs/dbraw/zinc/07/39/35/301073935.db2.gz	ANZSCXRWMOBRJA-QGZVFWFLSA-N	0	3	311.429	2.957	20	30		DFEDHN
N#Cc1ccc(C2=CCN(CCCN3CCCC3=O)CC2)cc1	ZINC000535758810	301259143	/nfs/dbraw/zinc/25/91/43/301259143.db2.gz	BYAWMHKMYMKKET-UHFFFAOYSA-N	0	3	309.413	2.660	20	30		DFEDHN
N#Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1Cl	ZINC000537583011	301303709	/nfs/dbraw/zinc/30/37/09/301303709.db2.gz	ZPNVJOIOARYALP-AWEZNQCLSA-N	0	3	303.793	2.522	20	30		DFEDHN
CCN1CCC(N(C)C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000540884729	301372257	/nfs/dbraw/zinc/37/22/57/301372257.db2.gz	RHQFUMJVQLKUNF-UHFFFAOYSA-N	0	3	305.809	2.768	20	30		DFEDHN
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(C2CC2)C1	ZINC000541621492	301392377	/nfs/dbraw/zinc/39/23/77/301392377.db2.gz	HPCGNSQLVDLISH-AWEZNQCLSA-N	0	3	303.793	2.520	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000541790370	301397310	/nfs/dbraw/zinc/39/73/10/301397310.db2.gz	WIVKMKMHDZEJSS-CQSZACIVSA-N	0	3	305.809	2.816	20	30		DFEDHN
Cc1[nH]c(C#N)cc1C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000563333935	302062717	/nfs/dbraw/zinc/06/27/17/302062717.db2.gz	GXVNHTTVTQNXBM-LJQANCHMSA-N	0	3	322.412	2.589	20	30		DFEDHN
C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)c(F)c1	ZINC000564229596	302124665	/nfs/dbraw/zinc/12/46/65/302124665.db2.gz	FGURQYCOVWTXDC-XZJROXQQSA-N	0	3	301.365	2.501	20	30		DFEDHN
N#Cc1csc(CNC2(Cc3ccccc3)CCOCC2)n1	ZINC000564705155	302151284	/nfs/dbraw/zinc/15/12/84/302151284.db2.gz	FSVOIXKXYOQLHZ-UHFFFAOYSA-N	0	3	313.426	2.896	20	30		DFEDHN
Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c(C#N)cn1	ZINC000564877037	302167744	/nfs/dbraw/zinc/16/77/44/302167744.db2.gz	KFKPCAHXXMAYTJ-HNNXBMFYSA-N	0	3	321.428	2.716	20	30		DFEDHN
CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C	ZINC000565046879	302188602	/nfs/dbraw/zinc/18/86/02/302188602.db2.gz	CJUYWIBXKCPCPW-WKPIXPDZSA-N	0	3	303.362	2.616	20	30		DFEDHN
CCN1CCN([C@H](C)CNc2cccc(C(F)F)c2C#N)CC1	ZINC000565433716	302225349	/nfs/dbraw/zinc/22/53/49/302225349.db2.gz	QIZZHMPSIJNOOE-CYBMUJFWSA-N	0	3	322.403	2.934	20	30		DFEDHN
CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000566799912	302312910	/nfs/dbraw/zinc/31/29/10/302312910.db2.gz	MKEORJAOJQRBST-IINYFYTJSA-N	0	3	323.462	2.562	20	30		DFEDHN
CCc1nncn1CCNCc1ccc(C#N)cc1C(F)(F)F	ZINC000567003287	302328282	/nfs/dbraw/zinc/32/82/82/302328282.db2.gz	YVSVGKHRSMETRY-UHFFFAOYSA-N	0	3	323.322	2.521	20	30		DFEDHN
N#Cc1csc(CNCC[C@@H]2COc3ccccc3O2)c1	ZINC000572551456	302668819	/nfs/dbraw/zinc/66/88/19/302668819.db2.gz	ZELQGDZLWQNLCL-CYBMUJFWSA-N	0	3	300.383	2.939	20	30		DFEDHN
N#Cc1ccc(CNCc2ccc(Cn3cncn3)cc2)s1	ZINC000176945327	315979724	/nfs/dbraw/zinc/97/97/24/315979724.db2.gz	JLMKIBNLWJOMNI-UHFFFAOYSA-N	0	3	309.398	2.549	20	30		DFEDHN
Cc1c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnn1C	ZINC000179871793	316020750	/nfs/dbraw/zinc/02/07/50/316020750.db2.gz	BAEREVMGAOZKOX-UHFFFAOYSA-N	0	3	309.417	2.677	20	30		DFEDHN
Cc1ccccc1[C@@H](CO)NCCCOc1cccc(C#N)c1	ZINC000542911356	317823318	/nfs/dbraw/zinc/82/33/18/317823318.db2.gz	BMYJDGQFJURMNA-LJQANCHMSA-N	0	3	310.397	2.959	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000573544814	318020790	/nfs/dbraw/zinc/02/07/90/318020790.db2.gz	UIMZFMLJTNRREO-OKZBNKHCSA-N	0	3	311.429	2.651	20	30		DFEDHN
C[C@@H](NC[C@@H]1CNc2c(C#N)cnn2C1)c1cc2ccccc2o1	ZINC000576704385	318144225	/nfs/dbraw/zinc/14/42/25/318144225.db2.gz	OGWOGCBVEKOXGI-CHWSQXEVSA-N	0	3	321.384	2.893	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCO[C@@]3(CCSC3)C2)c1	ZINC000579833114	318357212	/nfs/dbraw/zinc/35/72/12/318357212.db2.gz	IVILDAGXBUJVNZ-KRWDZBQOSA-N	0	3	318.442	2.535	20	30		DFEDHN
CN1CCCN(c2cc(Br)c(C#N)cc2F)CC1	ZINC000380747470	323291926	/nfs/dbraw/zinc/29/19/26/323291926.db2.gz	MMNFZBXLUJCYDP-UHFFFAOYSA-N	0	3	312.186	2.602	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000389138824	323333875	/nfs/dbraw/zinc/33/38/75/323333875.db2.gz	OXUPXHZOGOFNEL-GDBMZVCRSA-N	0	3	320.458	2.890	20	30		DFEDHN
N#Cc1cccc(S(=O)(=O)CCNCC2(C3CC3)CCC2)c1	ZINC000391429739	323346340	/nfs/dbraw/zinc/34/63/40/323346340.db2.gz	DDAGGBAWNKGSPG-UHFFFAOYSA-N	0	3	318.442	2.502	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2cnn(CCCC)c2C)CC1	ZINC000448308685	332774255	/nfs/dbraw/zinc/77/42/55/332774255.db2.gz	RHVFDWTULKKLPO-UHFFFAOYSA-N	0	3	319.453	2.764	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3F)C2=O)C1	ZINC000248932780	332886532	/nfs/dbraw/zinc/88/65/32/332886532.db2.gz	YALZEXRHFZYUGP-FMKPAKJESA-N	0	3	315.392	2.993	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1cccc(SCC#N)c1	ZINC000175998871	332920186	/nfs/dbraw/zinc/92/01/86/332920186.db2.gz	BDLGQKAYCBBPRE-CQSZACIVSA-N	0	3	317.458	2.906	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC(C)(C)c2ccccc2F)CC1	ZINC000299521218	331695269	/nfs/dbraw/zinc/69/52/69/331695269.db2.gz	ACHUBDZRJHAUHU-UHFFFAOYSA-N	0	3	316.420	2.565	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C(C)C	ZINC000076711365	331956070	/nfs/dbraw/zinc/95/60/70/331956070.db2.gz	QTUGWEDAFXVLEY-YJBOKZPZSA-N	0	3	301.434	2.981	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000090451418	331997612	/nfs/dbraw/zinc/99/76/12/331997612.db2.gz	WTSNZEUFCXKANU-AWEZNQCLSA-N	0	3	304.390	2.887	20	30		DFEDHN
C=CCOc1ccc(CNCC[C@@](C)(O)COC)cc1Cl	ZINC000449383399	332103011	/nfs/dbraw/zinc/10/30/11/332103011.db2.gz	GXLSZADDZWEGLB-MRXNPFEDSA-N	0	3	313.825	2.782	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=O)cc1NCC(C)(C)CCC#N	ZINC000092171438	332120926	/nfs/dbraw/zinc/12/09/26/332120926.db2.gz	NLUAWEKBILCAFW-UHFFFAOYSA-N	0	3	302.422	2.589	20	30		DFEDHN
C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NC1(C#N)CCCCC1	ZINC000132417558	332129791	/nfs/dbraw/zinc/12/97/91/332129791.db2.gz	FPXVOBSTCXYQER-ZIAGYGMSSA-N	0	3	321.465	2.653	20	30		DFEDHN
Cc1nc(C)c([C@@H](C)N(C)CCC(=O)N(C)CCC#N)s1	ZINC000092796405	332130997	/nfs/dbraw/zinc/13/09/97/332130997.db2.gz	WFMKDMIWGUBTBW-GFCCVEGCSA-N	0	3	308.451	2.515	20	30		DFEDHN
Cc1nc(C)c([C@H](C)N(C)CCC(=O)N(C)CCC#N)s1	ZINC000092796406	332131017	/nfs/dbraw/zinc/13/10/17/332131017.db2.gz	WFMKDMIWGUBTBW-LBPRGKRZSA-N	0	3	308.451	2.515	20	30		DFEDHN
COc1ccc(CN(C)CC(C)(C)O)cc1OCCCC#N	ZINC000093414710	332138426	/nfs/dbraw/zinc/13/84/26/332138426.db2.gz	SFXOVKDENLLCLC-UHFFFAOYSA-N	0	3	306.406	2.580	20	30		DFEDHN
C=CCC(CC=C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000427147942	332172424	/nfs/dbraw/zinc/17/24/24/332172424.db2.gz	RFFNEAHZLGKNAW-SFHVURJKSA-N	0	3	320.477	2.858	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(N)cc1)C(C)C	ZINC000236660503	332201505	/nfs/dbraw/zinc/20/15/05/332201505.db2.gz	BBZPOUVTEPWDAC-SFHVURJKSA-N	0	3	315.461	2.626	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1	ZINC000236755470	332202385	/nfs/dbraw/zinc/20/23/85/332202385.db2.gz	MRHAZZJAGBXBJA-YOEHRIQHSA-N	0	3	304.434	2.907	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H]2CCOC2)CC1	ZINC000374611038	332241168	/nfs/dbraw/zinc/24/11/68/332241168.db2.gz	LBKMMXSJPFMPKA-DOTOQJQBSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCOCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1	ZINC000292843298	335096443	/nfs/dbraw/zinc/09/64/43/335096443.db2.gz	PTALWRIMILIIRX-KRWDZBQOSA-N	0	3	317.433	2.865	20	30		DFEDHN
C=CCC[C@H](O)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000292910687	335097888	/nfs/dbraw/zinc/09/78/88/335097888.db2.gz	HHROWQMGKYIQQJ-HIFRSBDPSA-N	0	3	303.381	2.989	20	30		DFEDHN
CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)cc1	ZINC000293127235	335100876	/nfs/dbraw/zinc/10/08/76/335100876.db2.gz	IPNLBIHJPRQLIT-APWZRJJASA-N	0	3	312.457	2.789	20	30		DFEDHN
C=CCn1c(CCN2CCCCC2)nnc1SCCCF	ZINC000153093825	332346983	/nfs/dbraw/zinc/34/69/83/332346983.db2.gz	PWCUHNPVSGOTRT-UHFFFAOYSA-N	0	3	312.458	2.944	20	30		DFEDHN
N#CC(C(=O)c1ccccc1N1CCCCC1)c1ccncn1	ZINC000560580061	332364282	/nfs/dbraw/zinc/36/42/82/332364282.db2.gz	SDTKQYQKSGLAGJ-OAHLLOKOSA-N	0	3	306.369	2.957	20	30		DFEDHN
CCc1ccc(C#CC(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)cc1	ZINC000293468533	335107298	/nfs/dbraw/zinc/10/72/98/335107298.db2.gz	ZPDLUSDPERSFRN-YQQQUEKLSA-N	0	3	310.441	2.732	20	30		DFEDHN
C=CCNC(=O)CN[C@@H]1CCCc2cc(Br)ccc21	ZINC000358978253	332386971	/nfs/dbraw/zinc/38/69/71/332386971.db2.gz	BYXADHMHNUVRGS-CQSZACIVSA-N	0	3	323.234	2.718	20	30		DFEDHN
C#CCNC(=O)CCN(CCC)[C@H](C)c1ccccc1OC	ZINC000293443306	335106223	/nfs/dbraw/zinc/10/62/23/335106223.db2.gz	KEVZSOKACPVVED-OAHLLOKOSA-N	0	3	302.418	2.608	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000185074674	335109696	/nfs/dbraw/zinc/10/96/96/335109696.db2.gz	CDZUSFZJUANLCX-UHFFFAOYSA-N	0	3	312.457	2.859	20	30		DFEDHN
[O-]c1ccccc1/C=N/C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1	ZINC000128476203	332498281	/nfs/dbraw/zinc/49/82/81/332498281.db2.gz	IEJLZWQBMDNEKH-JFLZBYRCSA-N	0	3	302.418	2.579	20	30		DFEDHN
N#CC1(c2ccccc2)CCC(NCc2cc(C(N)=O)co2)CC1	ZINC000427873375	332551681	/nfs/dbraw/zinc/55/16/81/332551681.db2.gz	KWYVFHNMZZCCHF-UHFFFAOYSA-N	0	3	323.396	2.872	20	30		DFEDHN
COc1ccc([C@@H](CCC#N)NCCOC[C@@H]2CCCO2)cc1	ZINC000562593669	332607883	/nfs/dbraw/zinc/60/78/83/332607883.db2.gz	UOTZIEYNSAVUAJ-ZWKOTPCHSA-N	0	3	318.417	2.825	20	30		DFEDHN
N#CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000153779193	332728254	/nfs/dbraw/zinc/72/82/54/332728254.db2.gz	NMGARHGZJXNTIY-UHFFFAOYSA-N	0	3	305.809	2.582	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1cc(Cl)c(F)cc1Cl	ZINC000293917157	335115657	/nfs/dbraw/zinc/11/56/57/335115657.db2.gz	GQKUMGFFCMLAJO-UHFFFAOYSA-N	0	3	317.191	2.817	20	30		DFEDHN
C[C@H](NCCC(=O)N1CCCCC1)c1ccc(OCC#N)cc1	ZINC000181999862	333036268	/nfs/dbraw/zinc/03/62/68/333036268.db2.gz	XRPUTPSVYOBZCP-HNNXBMFYSA-N	0	3	315.417	2.642	20	30		DFEDHN
CCOc1cccc(CNCc2ccc(OCC#N)cc2)c1O	ZINC000171769357	333054420	/nfs/dbraw/zinc/05/44/20/333054420.db2.gz	AKQZZXBYZCGDMV-UHFFFAOYSA-N	0	3	312.369	2.983	20	30		DFEDHN
CCOc1cccc(C[NH2+]Cc2ccc(OCC#N)cc2)c1[O-]	ZINC000171769357	333054422	/nfs/dbraw/zinc/05/44/22/333054422.db2.gz	AKQZZXBYZCGDMV-UHFFFAOYSA-N	0	3	312.369	2.983	20	30		DFEDHN
C=CCNC(=O)CN1CC[C@@H](Cc2ccc(C(C)C)cc2)C1	ZINC000460976766	333135485	/nfs/dbraw/zinc/13/54/85/333135485.db2.gz	FMBHBSFGCTYJEY-KRWDZBQOSA-N	0	3	300.446	2.977	20	30		DFEDHN
COC(=O)[C@@]1(C)CCN(Cc2ccccc2C(C)(C)C#N)C1	ZINC000178546637	333140737	/nfs/dbraw/zinc/14/07/37/333140737.db2.gz	VGWBXJGRAFCTNY-SFHVURJKSA-N	0	3	300.402	2.873	20	30		DFEDHN
CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)[C@@H](C)c1ccccc1	ZINC000181542684	333170027	/nfs/dbraw/zinc/17/00/27/333170027.db2.gz	VOZUFZSXBZADFR-IIDMSEBBSA-N	0	3	301.434	2.823	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1	ZINC000181553763	333170214	/nfs/dbraw/zinc/17/02/14/333170214.db2.gz	VMISBCWIEDRXEA-YOEHRIQHSA-N	0	3	311.429	2.700	20	30		DFEDHN
CSCCON=C(N)c1cccc(CN2CCCCC2)c1	ZINC000181881262	333173294	/nfs/dbraw/zinc/17/32/94/333173294.db2.gz	MKZROCKVUGGYLR-UHFFFAOYSA-N	0	3	307.463	2.672	20	30		DFEDHN
C#CCNC(=O)CCN[C@@H](C)c1ccc(-c2cccnc2)cc1	ZINC000294422434	335122835	/nfs/dbraw/zinc/12/28/35/335122835.db2.gz	DNTFPSKEZWNJDF-HNNXBMFYSA-N	0	3	307.397	2.539	20	30		DFEDHN
C=CCC[C@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000497170559	333199679	/nfs/dbraw/zinc/19/96/79/333199679.db2.gz	RZEAFNAKLPUOJI-KKUMJFAQSA-N	0	3	312.454	2.691	20	30		DFEDHN
CC(=O)Nc1cccc(OCCN[C@H]2CCC[C@@H](C#N)C2)c1	ZINC000185817871	333214587	/nfs/dbraw/zinc/21/45/87/333214587.db2.gz	LWRFUUKEUKIFDQ-CABCVRRESA-N	0	3	301.390	2.696	20	30		DFEDHN
CCS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1	ZINC000185879483	333215457	/nfs/dbraw/zinc/21/54/57/333215457.db2.gz	LJWIZXLIMDBLEI-GJZGRUSLSA-N	0	3	306.431	2.652	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(C)c1Cl)C(C)C	ZINC000294877872	335128482	/nfs/dbraw/zinc/12/84/82/335128482.db2.gz	DEIYCALPNDIIBA-AWEZNQCLSA-N	0	3	324.856	2.502	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1	ZINC000364117940	333240795	/nfs/dbraw/zinc/24/07/95/333240795.db2.gz	FECOCHMDDWAIMO-VBNZEHGJSA-N	0	3	304.821	2.704	20	30		DFEDHN
CN(Cc1cn(CCC#N)nc1-c1ccccc1)CC1(CO)CC1	ZINC000188950527	333253420	/nfs/dbraw/zinc/25/34/20/333253420.db2.gz	DGIRCXBXIPGCHR-UHFFFAOYSA-N	0	3	324.428	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1oc(CC)nc1C)C(C)C	ZINC000294905533	335130496	/nfs/dbraw/zinc/13/04/96/335130496.db2.gz	WEEXCXIPIZBAQE-OAHLLOKOSA-N	0	3	319.449	2.974	20	30		DFEDHN
C=CCCCCNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000364222645	333275138	/nfs/dbraw/zinc/27/51/38/333275138.db2.gz	PPPIAHGTRGGADX-IXDOHACOSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCSCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1	ZINC000111486415	333332763	/nfs/dbraw/zinc/33/27/63/333332763.db2.gz	DXZLYDLPKNJWIQ-OAHLLOKOSA-N	0	3	321.490	2.725	20	30		DFEDHN
Cc1ccc(N2CCC[C@@H](N(C)CC#Cc3ccccc3)C2)nn1	ZINC000365233438	333399456	/nfs/dbraw/zinc/39/94/56/333399456.db2.gz	IVNQGIHJBHJTFT-LJQANCHMSA-N	0	3	320.440	2.737	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1	ZINC000295992853	335139360	/nfs/dbraw/zinc/13/93/60/335139360.db2.gz	XFPVRJWUZRLLQN-QAPCUYQASA-N	0	3	316.445	2.593	20	30		DFEDHN
C#CCCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1	ZINC000295829253	335139765	/nfs/dbraw/zinc/13/97/65/335139765.db2.gz	MJMGGIYCDUWBOU-MAUKXSAKSA-N	0	3	314.429	2.501	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(Cc3ccccc3F)CC2)C1=O	ZINC000337132531	333439784	/nfs/dbraw/zinc/43/97/84/333439784.db2.gz	AKIHYIPBMPTTLO-SFHVURJKSA-N	0	3	316.420	2.867	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCN(CC(C)C)CC1	ZINC000337905557	333463443	/nfs/dbraw/zinc/46/34/43/333463443.db2.gz	MQKQTMJIWSLXSF-UHFFFAOYSA-N	0	3	319.497	2.831	20	30		DFEDHN
C=CCOCCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000338632074	333493374	/nfs/dbraw/zinc/49/33/74/333493374.db2.gz	IWSQOSVLFVOUHZ-UHFFFAOYSA-N	0	3	308.397	2.549	20	30		DFEDHN
C=C(C)Cn1c(C)nnc1N1CCN(CC2CCCCC2)CC1	ZINC000338788086	333498464	/nfs/dbraw/zinc/49/84/64/333498464.db2.gz	LOYLTZINRZMTOM-UHFFFAOYSA-N	0	3	317.481	2.865	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000339420014	333524165	/nfs/dbraw/zinc/52/41/65/333524165.db2.gz	HHROWQMGKYIQQJ-DZGCQCFKSA-N	0	3	303.381	2.989	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CC(C)C1)C(C)C	ZINC000531559148	333536633	/nfs/dbraw/zinc/53/66/33/333536633.db2.gz	LRKFBTOTAYLCQQ-UPTPFMHGSA-N	0	3	303.450	2.741	20	30		DFEDHN
C#C[C@H](C)NC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000185994912	335155598	/nfs/dbraw/zinc/15/55/98/335155598.db2.gz	IBMMRLVYUCORJT-FUHWJXTLSA-N	0	3	313.445	2.562	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](N[C@H](CO)c2cccc(Br)c2)C1	ZINC000442827321	335156299	/nfs/dbraw/zinc/15/62/99/335156299.db2.gz	KBCZTHMMMXNRQM-LERXQTSPSA-N	0	3	309.207	2.764	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](N(C)C)C1	ZINC000413823348	333875631	/nfs/dbraw/zinc/87/56/31/333875631.db2.gz	MRWIISMKVAKWTM-QZTJIDSGSA-N	0	3	315.461	2.909	20	30		DFEDHN
C[C@@H](NCC(C)(C)CC#N)c1ccc(NS(C)(=O)=O)cc1	ZINC000414162154	333915496	/nfs/dbraw/zinc/91/54/96/333915496.db2.gz	GNZDVGQDIRFNPP-GFCCVEGCSA-N	0	3	309.435	2.649	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CCCC1)C(C)C	ZINC000263672213	333947347	/nfs/dbraw/zinc/94/73/47/333947347.db2.gz	JCOGYSSBHGEYOV-MRXNPFEDSA-N	0	3	303.450	2.885	20	30		DFEDHN
CC[C@H](C)[C@@H](O)CNCc1ccc(OC)c(OCCCC#N)c1	ZINC000264822267	333959883	/nfs/dbraw/zinc/95/98/83/333959883.db2.gz	DOJBPAHLWFCJJL-HOCLYGCPSA-N	0	3	320.433	2.874	20	30		DFEDHN
CC(C)[C@H](O)CNCc1cn(CCC#N)nc1-c1ccccc1	ZINC000265223389	333964349	/nfs/dbraw/zinc/96/43/49/333964349.db2.gz	HNJXZFMNRFISIJ-QGZVFWFLSA-N	0	3	312.417	2.570	20	30		DFEDHN
CN1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000269358336	334000591	/nfs/dbraw/zinc/00/05/91/334000591.db2.gz	NUOFTHAEMCPOOK-UHFFFAOYSA-N	0	3	323.444	2.601	20	30		DFEDHN
CN(C)CCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1	ZINC000270359883	334012284	/nfs/dbraw/zinc/01/22/84/334012284.db2.gz	RCFFQVVAWDPSSA-UHFFFAOYSA-N	0	3	307.397	2.961	20	30		DFEDHN
CC[C@H]1CN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1O	ZINC000271246877	334020268	/nfs/dbraw/zinc/02/02/68/334020268.db2.gz	CNTCFDNGAOAQNF-JKSUJKDBSA-N	0	3	318.417	2.580	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1OC	ZINC000414563120	334020585	/nfs/dbraw/zinc/02/05/85/334020585.db2.gz	CSRMMLHTADHSOQ-HOCLYGCPSA-N	0	3	305.418	2.853	20	30		DFEDHN
CN(CCC(C)(C)C#N)Cc1ccccc1N1CCOCC1	ZINC000271987940	334029463	/nfs/dbraw/zinc/02/94/63/334029463.db2.gz	DCLJAHWUXDZKBF-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(CC#N)cc1	ZINC000272416007	334034305	/nfs/dbraw/zinc/03/43/05/334034305.db2.gz	ZNAHIDKKWVWLPM-AWEZNQCLSA-N	0	3	314.433	2.947	20	30		DFEDHN
CC[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)N(CC)CC	ZINC000274565730	334063190	/nfs/dbraw/zinc/06/31/90/334063190.db2.gz	KYZCUPIASHISPT-PKOBYXMFSA-N	0	3	313.445	2.674	20	30		DFEDHN
N#CCc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000343532121	335175247	/nfs/dbraw/zinc/17/52/47/335175247.db2.gz	ORRXYALPANIZFC-GOSISDBHSA-N	0	3	311.429	2.587	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000274670480	334065062	/nfs/dbraw/zinc/06/50/62/334065062.db2.gz	XTPUUVUBVORFEX-GZBFAFLISA-N	0	3	306.431	2.823	20	30		DFEDHN
N#CCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1	ZINC000275777733	334073296	/nfs/dbraw/zinc/07/32/96/334073296.db2.gz	BXFOSFYPQFIOPE-GOSISDBHSA-N	0	3	300.402	2.980	20	30		DFEDHN
C=CC[C@@H]1N(CC(=O)N(CCC#N)CCC#N)CCCC1(C)C	ZINC000277789045	334090878	/nfs/dbraw/zinc/09/08/78/334090878.db2.gz	OLZPXXBOMZGMSB-INIZCTEOSA-N	0	3	316.449	2.709	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccnc(OC3CCOCC3)c2)C1	ZINC000278864980	334102413	/nfs/dbraw/zinc/10/24/13/334102413.db2.gz	WPBNBJZEQCVKSO-ZBFHGGJFSA-N	0	3	315.417	2.811	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1	ZINC000279993484	334113559	/nfs/dbraw/zinc/11/35/59/334113559.db2.gz	RQIFODAPEQSTNX-PBHICJAKSA-N	0	3	313.445	2.946	20	30		DFEDHN
CSc1ccccc1[C@@H](C)NCCC(=O)N(C)CCC#N	ZINC000281979123	334130208	/nfs/dbraw/zinc/13/02/08/334130208.db2.gz	HMDOZGXQNCFBPV-CYBMUJFWSA-N	0	3	305.447	2.821	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N[C@H](CO)c2ccc(Br)cc2)C1	ZINC000282171694	334132136	/nfs/dbraw/zinc/13/21/36/334132136.db2.gz	FBNFNQNUIUVBEO-DDTOSNHZSA-N	0	3	309.207	2.764	20	30		DFEDHN
CN1C(=O)C[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1	ZINC000282196385	334132324	/nfs/dbraw/zinc/13/23/24/334132324.db2.gz	GOAZLATUPQJVGL-JSCKTKNYSA-N	0	3	319.355	2.518	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1	ZINC000285231788	334146346	/nfs/dbraw/zinc/14/63/46/334146346.db2.gz	QTDCOPVQVCGVCZ-IBGZPJMESA-N	0	3	313.445	2.750	20	30		DFEDHN
CCN(CC)c1ccc(/C=[NH+]/CCC2(O)CCOCC2)c([O-])c1	ZINC000285368657	334147315	/nfs/dbraw/zinc/14/73/15/334147315.db2.gz	NXFUUHSXKAHCBB-XMHGGMMESA-N	0	3	320.433	2.589	20	30		DFEDHN
CN(CCC(N)=O)CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000286531927	334153622	/nfs/dbraw/zinc/15/36/22/334153622.db2.gz	RFYZLEHBFKTPDL-UHFFFAOYSA-N	0	3	321.424	2.694	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](NCc2ccncc2OC[C@@H]2CCOC2)C1	ZINC000287201147	334156700	/nfs/dbraw/zinc/15/67/00/334156700.db2.gz	DTZLSAANYYBOOW-INMHGKMJSA-N	0	3	315.417	2.669	20	30		DFEDHN
C[C@@H](NC(=O)NCCCCC#N)[C@@H](c1ccccc1)N(C)C	ZINC000287525308	334157962	/nfs/dbraw/zinc/15/79/62/334157962.db2.gz	VPYOWZCWJHEKJO-ZBFHGGJFSA-N	0	3	302.422	2.671	20	30		DFEDHN
N#CC1CCC(CNCc2ncc(C3OCCO3)s2)CC1	ZINC000289822048	334168230	/nfs/dbraw/zinc/16/82/30/334168230.db2.gz	UBNSCNLFRLIPML-UHFFFAOYSA-N	0	3	307.419	2.608	20	30		DFEDHN
CSC1c2cc(-c3noc(CCCC#N)n3)ccc2NC1=O	ZINC000291060577	334176066	/nfs/dbraw/zinc/17/60/66/334176066.db2.gz	JYEFVNNPUZMFGV-ZDUSSCGKSA-N	0	3	314.370	2.939	20	30		DFEDHN
CO[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)C1CC1	ZINC000292861025	334193381	/nfs/dbraw/zinc/19/33/81/334193381.db2.gz	APQGJXATVPBNOO-SFHVURJKSA-N	0	3	324.428	2.978	20	30		DFEDHN
CN(CCOCCC#N)CCc1cccc(Br)c1	ZINC000293647022	334200074	/nfs/dbraw/zinc/20/00/74/334200074.db2.gz	SBHOXMLFHCKUDI-UHFFFAOYSA-N	0	3	311.223	2.854	20	30		DFEDHN
CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)N(CC)CC	ZINC000294010143	334204412	/nfs/dbraw/zinc/20/44/12/334204412.db2.gz	YCGAMTZVOUGQQJ-SQNIBIBYSA-N	0	3	313.445	2.873	20	30		DFEDHN
N#CCCOCCN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000294012873	334204432	/nfs/dbraw/zinc/20/44/32/334204432.db2.gz	GUCBTRKOJGMGKO-LLVKDONJSA-N	0	3	316.327	2.538	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)[C@H]1CC[C@H](C#N)C1	ZINC000294171875	334206466	/nfs/dbraw/zinc/20/64/66/334206466.db2.gz	PZBNXHHOBUZTMH-WNHJNPCNSA-N	0	3	313.445	2.682	20	30		DFEDHN
CN(C)Cc1cccc(CNC(=O)[C@]2(C#N)CC23CCCC3)c1	ZINC000294419979	334209645	/nfs/dbraw/zinc/20/96/45/334209645.db2.gz	LNUOLRFXBDLZTB-LJQANCHMSA-N	0	3	311.429	2.838	20	30		DFEDHN
COc1cc(CN[C@H]2CC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OC	ZINC000295090272	334218454	/nfs/dbraw/zinc/21/84/54/334218454.db2.gz	RLUVWTJWBRKTRA-AAEUAGOBSA-N	0	3	319.361	2.784	20	30		DFEDHN
CCOC(=O)c1cnn(C2CCN(CCC(C)(C)C#N)CC2)c1	ZINC000295629892	334225944	/nfs/dbraw/zinc/22/59/44/334225944.db2.gz	OXYFDONPGHFIBV-UHFFFAOYSA-N	0	3	318.421	2.637	20	30		DFEDHN
CN(C)c1ncccc1O[C@H]1CCN(CCC(C)(C)C#N)C1	ZINC000295945181	334228694	/nfs/dbraw/zinc/22/86/94/334228694.db2.gz	LJJNMZGPBYNMGX-AWEZNQCLSA-N	0	3	302.422	2.541	20	30		DFEDHN
COCCC1(C)CN(Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000297310110	334240560	/nfs/dbraw/zinc/24/05/60/334240560.db2.gz	CDAAIMRTBCPZEG-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C[C@@](O)(CNCc1cccc(OCCCC#N)c1)C(F)(F)F	ZINC000340595949	334247337	/nfs/dbraw/zinc/24/73/37/334247337.db2.gz	LSVSVACSAXKAPT-CQSZACIVSA-N	0	3	316.323	2.772	20	30		DFEDHN
C[C@@H](CCC#N)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1	ZINC000298363111	334247961	/nfs/dbraw/zinc/24/79/61/334247961.db2.gz	NDONDMBVISGPKQ-KBPBESRZSA-N	0	3	300.406	2.949	20	30		DFEDHN
COc1cc(OC)cc(N2CCCN([C@@H](C)CCC#N)CC2)c1	ZINC000298601487	334250043	/nfs/dbraw/zinc/25/00/43/334250043.db2.gz	LIAWGXFBINEKFY-HNNXBMFYSA-N	0	3	317.433	2.908	20	30		DFEDHN
C[C@@H](C(=O)N(CCC#N)Cc1ccco1)N1[C@H](C)CC[C@@H]1C	ZINC000298811919	334251616	/nfs/dbraw/zinc/25/16/16/334251616.db2.gz	FXYUJQUZDQYKKL-ZNMIVQPWSA-N	0	3	303.406	2.783	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H](SC)C1	ZINC000583481741	334263229	/nfs/dbraw/zinc/26/32/29/334263229.db2.gz	ZEXYGSUGMJUWHI-HOTGVXAUSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCC[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)C1CC1	ZINC000120829280	334334417	/nfs/dbraw/zinc/33/44/17/334334417.db2.gz	BXJLAKAEYCRPID-QGZVFWFLSA-N	0	3	302.418	2.847	20	30		DFEDHN
C=CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000121325550	334343740	/nfs/dbraw/zinc/34/37/40/334343740.db2.gz	LRINDAALOUHCJO-NVXWUHKLSA-N	0	3	322.474	2.535	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3nc(C)sc3c2)CC1	ZINC000050026602	334362317	/nfs/dbraw/zinc/36/23/17/334362317.db2.gz	JOBHRFXTCKKFKD-UHFFFAOYSA-N	0	3	313.426	2.888	20	30		DFEDHN
C#CCOc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1	ZINC000122116958	334371851	/nfs/dbraw/zinc/37/18/51/334371851.db2.gz	FGRAVALCZWGLNM-UHFFFAOYSA-N	0	3	322.408	2.576	20	30		DFEDHN
CC#CCN(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000341004542	334399085	/nfs/dbraw/zinc/39/90/85/334399085.db2.gz	LKNYVUFTONNZRY-INIZCTEOSA-N	0	3	320.383	2.626	20	30		DFEDHN
C[C@@](C#N)(NC(=O)CN[C@@H](c1cccs1)C1CC1)C1CC1	ZINC000341844645	334487009	/nfs/dbraw/zinc/48/70/09/334487009.db2.gz	PDYCQIRLKWZKQR-CVEARBPZSA-N	0	3	303.431	2.597	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC1(c2ccc(Cl)cc2)CC1	ZINC000341875155	334488718	/nfs/dbraw/zinc/48/87/18/334488718.db2.gz	JHUHLEQHWFLXEO-UHFFFAOYSA-N	0	3	305.809	2.681	20	30		DFEDHN
N#CCc1cccc(NC(=O)NC[C@H]2NCCc3ccccc32)c1	ZINC000415810220	334621454	/nfs/dbraw/zinc/62/14/54/334621454.db2.gz	NXZFJGKNLNWEMP-GOSISDBHSA-N	0	3	320.396	2.761	20	30		DFEDHN
C=CCSCCNC(=O)Nc1ccc2c(c1F)CCNC2	ZINC000415949147	334635127	/nfs/dbraw/zinc/63/51/27/334635127.db2.gz	BGZRPOUPVGGVCD-UHFFFAOYSA-N	0	3	309.410	2.512	20	30		DFEDHN
CC(C)Oc1cc(C(=O)NCCN2CCC(C)CC2)ccn1	ZINC000331011788	334830351	/nfs/dbraw/zinc/83/03/51/334830351.db2.gz	ZQHVELCEFIZWOW-UHFFFAOYSA-N	0	3	305.422	2.905	20	30		DFEDHN
CC[C@@H](C)n1ncc(NC(=O)NC2CCN(CC)CC2)c1C	ZINC000331096632	334834569	/nfs/dbraw/zinc/83/45/69/334834569.db2.gz	ANZXOFTYTZYOEI-GFCCVEGCSA-N	0	3	307.442	2.973	20	30		DFEDHN
C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)NC(=O)CO2	ZINC000343698082	335188937	/nfs/dbraw/zinc/18/89/37/335188937.db2.gz	SLDVWGSKLWRJIR-ZDUSSCGKSA-N	0	3	321.380	2.934	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCCS2)CC1	ZINC000343760083	335191005	/nfs/dbraw/zinc/19/10/05/335191005.db2.gz	SDCGNJKSEFZTEY-OAHLLOKOSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCCCCCN1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000344081475	335216283	/nfs/dbraw/zinc/21/62/83/335216283.db2.gz	CRMGDGCRDLYAFF-OAHLLOKOSA-N	0	3	314.495	2.527	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1OC)C(C)C	ZINC000344781478	335276844	/nfs/dbraw/zinc/27/68/44/335276844.db2.gz	AHETVXONCRMMQA-INIZCTEOSA-N	0	3	317.433	2.519	20	30		DFEDHN
C=C(C)[C@H](CC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1)OCC	ZINC000345073546	335296511	/nfs/dbraw/zinc/29/65/11/335296511.db2.gz	YDDAZYSCZCQPND-BZSNNMDCSA-N	0	3	316.445	2.572	20	30		DFEDHN
C=C[C@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000345217436	335309289	/nfs/dbraw/zinc/30/92/89/335309289.db2.gz	FMVGSSYSSKXBAL-QFBILLFUSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=C[C@@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000345217438	335309352	/nfs/dbraw/zinc/30/93/52/335309352.db2.gz	FMVGSSYSSKXBAL-VQIMIIECSA-N	0	3	313.445	2.869	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NC[C@H](C)N(C)C2CC2)cc1	ZINC000345422762	335324806	/nfs/dbraw/zinc/32/48/06/335324806.db2.gz	CBNDIFKTCRRCJT-AWEZNQCLSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1	ZINC000345373060	335325625	/nfs/dbraw/zinc/32/56/25/335325625.db2.gz	BESVURQDSHFGMF-ZBFHGGJFSA-N	0	3	317.433	2.533	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)C(C)C#N)c1ccccc1Cl	ZINC000345661040	335344393	/nfs/dbraw/zinc/34/43/93/335344393.db2.gz	KADFWCOJFBCDBG-SWLSCSKDSA-N	0	3	307.825	2.999	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1	ZINC000345755677	335348361	/nfs/dbraw/zinc/34/83/61/335348361.db2.gz	FVTJDLAPHDWRRN-KGLIPLIRSA-N	0	3	309.369	2.997	20	30		DFEDHN
CC(C)C1CCC(N2CCN(C(=O)NCCCC#N)CC2)CC1	ZINC000345831721	335353959	/nfs/dbraw/zinc/35/39/59/335353959.db2.gz	BXGYLKZSJGJLNO-UHFFFAOYSA-N	0	3	320.481	2.832	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccc3nc(C)sc3c2)CC1	ZINC000345878917	335357690	/nfs/dbraw/zinc/35/76/90/335357690.db2.gz	DNDTWGPGZUQMOZ-UHFFFAOYSA-N	0	3	315.442	2.985	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccc(OC(C)C)cn2)CC1	ZINC000345931340	335361974	/nfs/dbraw/zinc/36/19/74/335361974.db2.gz	MFIFAMVRRPIGNR-UHFFFAOYSA-N	0	3	317.433	2.639	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)CCc2nc(C)cs2)CC1	ZINC000345984001	335367669	/nfs/dbraw/zinc/36/76/69/335367669.db2.gz	BZRDCIAOBRQQHF-UHFFFAOYSA-N	0	3	307.463	2.541	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000346070434	335372522	/nfs/dbraw/zinc/37/25/22/335372522.db2.gz	KEGQLTWLPBTJBG-GVDBMIGSSA-N	0	3	308.466	2.958	20	30		DFEDHN
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(C)C#N)CC1	ZINC000346280952	335391880	/nfs/dbraw/zinc/39/18/80/335391880.db2.gz	PEUKLBSKFDNTHK-BLLLJJGKSA-N	0	3	321.371	2.720	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000346262530	335396084	/nfs/dbraw/zinc/39/60/84/335396084.db2.gz	ORZCNYHYNAGWKF-OLZOCXBDSA-N	0	3	305.809	2.705	20	30		DFEDHN
CN1CC[C@]2(CCN(C(=O)C[C@H](CC#N)c3ccccc3)C2)C1	ZINC000346319803	335399834	/nfs/dbraw/zinc/39/98/34/335399834.db2.gz	KWLQDISNYISFGD-HKUYNNGSSA-N	0	3	311.429	2.628	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@H](Cc1ccccc1)CN(C)C	ZINC000348855948	335614000	/nfs/dbraw/zinc/61/40/00/335614000.db2.gz	AZEQQGXSKJVRDC-IAGOWNOFSA-N	0	3	303.450	2.813	20	30		DFEDHN
C=CCNC(=O)CNC(C)(C)c1ccc(OCC(C)C)cc1	ZINC000107899992	335827316	/nfs/dbraw/zinc/82/73/16/335827316.db2.gz	QASZNOHNKAINKL-UHFFFAOYSA-N	0	3	304.434	2.848	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN([C@@H](C)CCC#N)CC2)c(C)o1	ZINC000351274155	336025232	/nfs/dbraw/zinc/02/52/32/336025232.db2.gz	YLBDNIADTHYOOS-LBPRGKRZSA-N	0	3	303.406	2.783	20	30		DFEDHN
C=C(C)CCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1	ZINC000351729273	336062854	/nfs/dbraw/zinc/06/28/54/336062854.db2.gz	FLNGQQCJMXVRII-UHFFFAOYSA-N	0	3	310.445	2.956	20	30		DFEDHN
C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CCC#N	ZINC000351807545	336069325	/nfs/dbraw/zinc/06/93/25/336069325.db2.gz	JYRGWGSOUMHASU-GJZGRUSLSA-N	0	3	308.470	2.736	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccncc3)on2)CCN1C	ZINC000329720321	336070203	/nfs/dbraw/zinc/07/02/03/336070203.db2.gz	MSBYNLVBLJTDLK-DGCLKSJQSA-N	0	3	300.362	2.524	20	30		DFEDHN
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000329770374	336080066	/nfs/dbraw/zinc/08/00/66/336080066.db2.gz	ISNQMPZTTQSPPF-BZUAXINKSA-N	0	3	323.481	2.709	20	30		DFEDHN
CC1(C)CCCN(CCNC(=O)c2cnn3c2CCCC3)C1	ZINC000329901262	336093602	/nfs/dbraw/zinc/09/36/02/336093602.db2.gz	GTVFRCQLARENGY-UHFFFAOYSA-N	0	3	304.438	2.646	20	30		DFEDHN
C[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)C1=CCN(C)CC1	ZINC000329915433	336095145	/nfs/dbraw/zinc/09/51/45/336095145.db2.gz	YJWTXFATCOXQOU-WFASDCNBSA-N	0	3	301.390	2.613	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2ccccc21)=[NH+]C[C@@H]1CCc2nccn2C1	ZINC000329940932	336097704	/nfs/dbraw/zinc/09/77/04/336097704.db2.gz	GNBDMORTXWCEML-HOCLYGCPSA-N	0	3	324.428	2.679	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+]C[C@@H]1CCc2ccccc21	ZINC000329940932	336097706	/nfs/dbraw/zinc/09/77/06/336097706.db2.gz	GNBDMORTXWCEML-HOCLYGCPSA-N	0	3	324.428	2.679	20	30		DFEDHN
CC(C)(C)n1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cn1	ZINC000329962554	336100448	/nfs/dbraw/zinc/10/04/48/336100448.db2.gz	SDQWUTMCCJIHNI-OAHLLOKOSA-N	0	3	304.438	2.960	20	30		DFEDHN
CC(C)N1CCC[C@H](NC(=O)CNC(=O)NC2CCCCC2)C1	ZINC000329969820	336101364	/nfs/dbraw/zinc/10/13/64/336101364.db2.gz	WUIJKVHTYDIWIA-HNNXBMFYSA-N	0	3	324.469	2.652	20	30		DFEDHN
CC(C(=O)N[C@H]1CC[C@H](C)CC1)S(=O)(=O)C1CCOCC1	ZINC000330041419	336108732	/nfs/dbraw/zinc/10/87/32/336108732.db2.gz	GDUGJXJTHYONHJ-AVGNSLFASA-N	0	3	317.451	2.504	20	30		DFEDHN
CC[C@@H]1CCC[C@@H]1NC(=O)C(C)S(=O)(=O)C1CCOCC1	ZINC000330072033	336111126	/nfs/dbraw/zinc/11/11/26/336111126.db2.gz	JJVPIDHYQLHAPQ-SCRDCRAPSA-N	0	3	317.451	2.504	20	30		DFEDHN
CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CCN(C)CC1	ZINC000330145241	336118028	/nfs/dbraw/zinc/11/80/28/336118028.db2.gz	SDQUWLXHTZYFSN-HOCLYGCPSA-N	0	3	320.437	2.592	20	30		DFEDHN
Cc1nn(C)c(C)c1NC(=O)CN[C@H]1CCCO[C@@H]1CC(C)C	ZINC000330157544	336119102	/nfs/dbraw/zinc/11/91/02/336119102.db2.gz	PQQLAMHEXWDNIV-LSDHHAIUSA-N	0	3	322.453	2.808	20	30		DFEDHN
CN1CCC(CC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000330178822	336121014	/nfs/dbraw/zinc/12/10/14/336121014.db2.gz	LXUXJGUAHGORGD-HNNXBMFYSA-N	0	3	321.465	2.608	20	30		DFEDHN
C[C@@H]1CC(C)(C)CC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1	ZINC000330184928	336121857	/nfs/dbraw/zinc/12/18/57/336121857.db2.gz	IUVNTBKDFJOXLP-MCIONIFRSA-N	0	3	304.438	2.916	20	30		DFEDHN
C[C@@H]1CC(C)(C)CC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1	ZINC000330184928	336121858	/nfs/dbraw/zinc/12/18/58/336121858.db2.gz	IUVNTBKDFJOXLP-MCIONIFRSA-N	0	3	304.438	2.916	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCOC2(CCC2)C1	ZINC000330220439	336126096	/nfs/dbraw/zinc/12/60/96/336126096.db2.gz	QGOFEKAMKAGCLX-JKSUJKDBSA-N	0	3	323.481	2.856	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000330235269	336127790	/nfs/dbraw/zinc/12/77/90/336127790.db2.gz	TVLVXENRDCBECV-OWRWGESLSA-N	0	3	318.373	2.549	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000330235270	336127851	/nfs/dbraw/zinc/12/78/51/336127851.db2.gz	TVLVXENRDCBECV-WNMQOVRZSA-N	0	3	318.373	2.549	20	30		DFEDHN
C[C@@H](NC(=O)N1CCCC12CCN(C)CC2)c1cccc(O)c1	ZINC000330246515	336129307	/nfs/dbraw/zinc/12/93/07/336129307.db2.gz	LHWDAVJDFLVLAU-CQSZACIVSA-N	0	3	317.433	2.927	20	30		DFEDHN
Cc1ccccc1CNC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1	ZINC000330257892	336130625	/nfs/dbraw/zinc/13/06/25/336130625.db2.gz	LZGMAXZTOUKEDY-XKQJLSEDSA-N	0	3	302.418	2.997	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cn1	ZINC000330272335	336132259	/nfs/dbraw/zinc/13/22/59/336132259.db2.gz	XMJCNVRTKQTEAG-MRCXROJRSA-N	0	3	309.797	2.869	20	30		DFEDHN
C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)NC(=O)NC1CCCCC1	ZINC000330273703	336132360	/nfs/dbraw/zinc/13/23/60/336132360.db2.gz	ZPGZHBAYGNFMHC-MQIPJXDCSA-N	0	3	311.426	2.735	20	30		DFEDHN
CC(C#N)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000331643020	336143161	/nfs/dbraw/zinc/14/31/61/336143161.db2.gz	VETJYLZXPCCLQQ-VXGBXAGGSA-N	0	3	303.431	2.888	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000331750402	336147236	/nfs/dbraw/zinc/14/72/36/336147236.db2.gz	GDFWHLLRIQEBIJ-SWLSCSKDSA-N	0	3	311.385	2.916	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333251970	336200383	/nfs/dbraw/zinc/20/03/83/336200383.db2.gz	YPRKUKNWAXQUGQ-YYAJDYIMSA-N	0	3	317.477	2.943	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C	ZINC000352270314	336209072	/nfs/dbraw/zinc/20/90/72/336209072.db2.gz	FFHIUEZUHDMDPN-IMJJTQAJSA-N	0	3	302.418	2.513	20	30		DFEDHN
N#CC(C(=O)Nc1ncc(-c2ccccc2)s1)c1ccncn1	ZINC000352304878	336211163	/nfs/dbraw/zinc/21/11/63/336211163.db2.gz	IANBFOZQQDCBMD-LBPRGKRZSA-N	0	3	321.365	2.846	20	30		DFEDHN
C=C[C@@H](CO)NCc1ccc(OCc2csc(C)n2)cc1	ZINC000352472651	336220933	/nfs/dbraw/zinc/22/09/33/336220933.db2.gz	IHJPNFFOHAUDOG-AWEZNQCLSA-N	0	3	304.415	2.667	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1	ZINC000103499473	336241979	/nfs/dbraw/zinc/24/19/79/336241979.db2.gz	DIFYUZQDNPLOPZ-KBPBESRZSA-N	0	3	304.459	2.976	20	30		DFEDHN
C#CCCN1CCN(c2cc(C)nc3c(OC)cccc23)CC1	ZINC000302001448	336342410	/nfs/dbraw/zinc/34/24/10/336342410.db2.gz	WLPIGJMMMBTYFT-UHFFFAOYSA-N	0	3	309.413	2.697	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)NCCCCC#N)c1ccco1	ZINC000352907500	336375910	/nfs/dbraw/zinc/37/59/10/336375910.db2.gz	ZMAUGICLXYBJIW-KBPBESRZSA-N	0	3	306.410	2.702	20	30		DFEDHN
CC(C)[C@@H](NCCCSCC#N)c1nnc2ccccn21	ZINC000352957428	336379239	/nfs/dbraw/zinc/37/92/39/336379239.db2.gz	HBMCJYHFUNJKKV-CQSZACIVSA-N	0	3	303.435	2.663	20	30		DFEDHN
CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NC1(C#N)CCC1	ZINC000525893769	336382610	/nfs/dbraw/zinc/38/26/10/336382610.db2.gz	PQIHAVLFZPTYKP-KRWDZBQOSA-N	0	3	313.445	2.892	20	30		DFEDHN
CC(C)NC(=O)NCCN[C@H](CCCC#N)c1ccccc1	ZINC000571674003	336383034	/nfs/dbraw/zinc/38/30/34/336383034.db2.gz	LRGPNLKCDSSPNF-MRXNPFEDSA-N	0	3	302.422	2.719	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccc(F)c(F)c1	ZINC000418030115	336393034	/nfs/dbraw/zinc/39/30/34/336393034.db2.gz	MEJRNLJFUTXLAR-OZVIIMIRSA-N	0	3	323.387	2.974	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC	ZINC000353552032	336424487	/nfs/dbraw/zinc/42/44/87/336424487.db2.gz	WHBFTIFIOYGNTR-HPBDAGMYSA-N	0	3	316.445	2.618	20	30		DFEDHN
Cc1cccc(C)c1[C@H](C)NCC(=O)N(CCC#N)CCC#N	ZINC000355067771	336493624	/nfs/dbraw/zinc/49/36/24/336493624.db2.gz	WXZHGLGIPYZPDS-INIZCTEOSA-N	0	3	312.417	2.610	20	30		DFEDHN
C[C@@H](NC(=O)NCC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C	ZINC000355088318	336494267	/nfs/dbraw/zinc/49/42/67/336494267.db2.gz	UWUHWCHMKHCDOY-HIFRSBDPSA-N	0	3	302.422	2.527	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N1CCC(C#N)CC1)c1ccco1	ZINC000357512668	336588437	/nfs/dbraw/zinc/58/84/37/336588437.db2.gz	BZLHOMUNUGUMSK-DZGCQCFKSA-N	0	3	318.421	2.654	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000358984255	336651225	/nfs/dbraw/zinc/65/12/25/336651225.db2.gz	SKCGQPFRPDLOJL-GJZGRUSLSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1	ZINC000360566252	336714767	/nfs/dbraw/zinc/71/47/67/336714767.db2.gz	GZECLMWRVJRTLZ-YOEHRIQHSA-N	0	3	301.434	2.764	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](c1ccsc1)N(CC)CC	ZINC000361282959	336748460	/nfs/dbraw/zinc/74/84/60/336748460.db2.gz	UNDIGRKLMVDXIV-OAHLLOKOSA-N	0	3	307.463	2.844	20	30		DFEDHN
C=C(C)CN1CCC(OC)(c2nc(-c3ccccn3)no2)CC1	ZINC000367463908	336822949	/nfs/dbraw/zinc/82/29/49/336822949.db2.gz	OYNKIIKSVGBEKY-UHFFFAOYSA-N	0	3	314.389	2.645	20	30		DFEDHN
N#CCC1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1	ZINC000418118258	336869764	/nfs/dbraw/zinc/86/97/64/336869764.db2.gz	DNRDYPOUWDDISX-QGZVFWFLSA-N	0	3	322.412	2.833	20	30		DFEDHN
N#CC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCC1	ZINC000121084347	336928712	/nfs/dbraw/zinc/92/87/12/336928712.db2.gz	UMZWRHVUYCGGOR-UHFFFAOYSA-N	0	3	321.490	2.548	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21	ZINC000375143014	337004440	/nfs/dbraw/zinc/00/44/40/337004440.db2.gz	USOQDUWQGWMCLT-GJZGRUSLSA-N	0	3	302.418	2.945	20	30		DFEDHN
Cc1nc(CN2CCCN(CCCCC(C)(C)C#N)CC2)no1	ZINC000375403257	337010426	/nfs/dbraw/zinc/01/04/26/337010426.db2.gz	JJDLEZSEAMVJFA-UHFFFAOYSA-N	0	3	319.453	2.606	20	30		DFEDHN
CCCn1nc2c(cc1=O)CN(CCCCC(C)(C)C#N)CC2	ZINC000375400457	337010508	/nfs/dbraw/zinc/01/05/08/337010508.db2.gz	AUNPCLFFAVLUDJ-UHFFFAOYSA-N	0	3	316.449	2.731	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000375568886	337013508	/nfs/dbraw/zinc/01/35/08/337013508.db2.gz	YDVCCONFLMGDLW-KBAYOESNSA-N	0	3	313.445	2.781	20	30		DFEDHN
C#CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000376777147	337040843	/nfs/dbraw/zinc/04/08/43/337040843.db2.gz	GJMPDQQUEKIROF-GDBMZVCRSA-N	0	3	302.393	2.566	20	30		DFEDHN
CC[C@@H](C)[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N	ZINC000582454065	337055028	/nfs/dbraw/zinc/05/50/28/337055028.db2.gz	LQKLJGLPASUINR-CVEARBPZSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=CCN(C(=O)C[C@@H](C)OC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000377572668	337055490	/nfs/dbraw/zinc/05/54/90/337055490.db2.gz	KSWFGBDUKLMANF-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@]2(CCC)COC)CC1	ZINC000193759182	337079398	/nfs/dbraw/zinc/07/93/98/337079398.db2.gz	DPERQFDAISNPHJ-SFHVURJKSA-N	0	3	323.481	2.628	20	30		DFEDHN
Cc1cc(C(=O)NC2CCN(CCCCC#N)CC2)c(C)o1	ZINC000170775438	337083092	/nfs/dbraw/zinc/08/30/92/337083092.db2.gz	ZITKFEKRTFEDDH-UHFFFAOYSA-N	0	3	303.406	2.785	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)c3ccccc3n2)CC1	ZINC000171717889	337088746	/nfs/dbraw/zinc/08/87/46/337088746.db2.gz	PFJBNNOXEQENLM-UHFFFAOYSA-N	0	3	309.413	2.923	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cc(F)ccc2F)CC1	ZINC000171715612	337088757	/nfs/dbraw/zinc/08/87/57/337088757.db2.gz	MFGKYCVBXSFQEL-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
CC1CCC(N2CCN(C(=O)NCCCCC#N)CC2)CC1	ZINC000172071048	337089540	/nfs/dbraw/zinc/08/95/40/337089540.db2.gz	SMOOCIGLSFNQGY-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=CCCCN1CCN(Cc2cc(OC)cc(OC)c2)CC1	ZINC000175444708	337147326	/nfs/dbraw/zinc/14/73/26/337147326.db2.gz	CLQSZSDBXAPMGU-UHFFFAOYSA-N	0	3	304.434	2.788	20	30		DFEDHN
C=CCCCC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000175523626	337147817	/nfs/dbraw/zinc/14/78/17/337147817.db2.gz	FBQOCKXPMFGMST-HOTGVXAUSA-N	0	3	308.466	2.691	20	30		DFEDHN
Clc1ccc(C#CCN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000177155195	337154190	/nfs/dbraw/zinc/15/41/90/337154190.db2.gz	NDUORUAJPWVVJE-INIZCTEOSA-N	0	3	314.820	2.695	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H](OC)C2(CC)CC)CC1	ZINC000178775222	337164994	/nfs/dbraw/zinc/16/49/94/337164994.db2.gz	NJEHGTBPAWNMRA-HOTGVXAUSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=C(C)CN(C)C(=O)NCC1(N2CCSCC2)CCCC1	ZINC000182379927	337188118	/nfs/dbraw/zinc/18/81/18/337188118.db2.gz	UNAXNCTXDODEPQ-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCCN(C)C)c1	ZINC000185192567	337202561	/nfs/dbraw/zinc/20/25/61/337202561.db2.gz	KRTAVYMTTJLTLE-OAHLLOKOSA-N	0	3	304.434	2.846	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@H]1COc2ccccc21	ZINC000185625806	337249792	/nfs/dbraw/zinc/24/97/92/337249792.db2.gz	WZSCGAMKSHRDNO-GDBMZVCRSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)[C@@H]1COc2ccccc21	ZINC000185625775	337249797	/nfs/dbraw/zinc/24/97/97/337249797.db2.gz	WZSCGAMKSHRDNO-ZBFHGGJFSA-N	0	3	302.418	2.565	20	30		DFEDHN
C=CCN(CCOC)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	ZINC000191075343	337293461	/nfs/dbraw/zinc/29/34/61/337293461.db2.gz	AHHAAMGYRYGBQT-IEBWSBKVSA-N	0	3	319.445	2.576	20	30		DFEDHN
N#CCCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000064627648	337307139	/nfs/dbraw/zinc/30/71/39/337307139.db2.gz	FKYFTFHYFJOTQZ-GFCCVEGCSA-N	0	3	306.797	2.689	20	30		DFEDHN
C#CCOc1ccc(CN[C@@H]2CCc3nc(C(C)C)nn3C2)cc1	ZINC000113338566	337391097	/nfs/dbraw/zinc/39/10/97/337391097.db2.gz	ODEGLZDCHOLZJW-MRXNPFEDSA-N	0	3	324.428	2.518	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(C)nn1C)C(C)C	ZINC000043433488	337411361	/nfs/dbraw/zinc/41/13/61/337411361.db2.gz	QTRFELRXJCNCTJ-OAHLLOKOSA-N	0	3	319.453	2.549	20	30		DFEDHN
CCOC(=O)[C@@H]1CC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1	ZINC000129691592	337430299	/nfs/dbraw/zinc/43/02/99/337430299.db2.gz	WICXTRDXSBOIHY-IGGSBBPBSA-N	0	3	312.413	2.932	20	30		DFEDHN
N#CC[C@@H]1CC[C@H](N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1	ZINC000419259019	337478196	/nfs/dbraw/zinc/47/81/96/337478196.db2.gz	KJWXTROBNUTVLZ-ZLIFDBKOSA-N	0	3	315.392	2.817	20	30		DFEDHN
C=CCC[C@H](C(=O)NC[C@@](C)(O)CCN(C)C)c1ccccc1	ZINC000419970993	337494661	/nfs/dbraw/zinc/49/46/61/337494661.db2.gz	CSEYAPUGHVXHMT-HKUYNNGSSA-N	0	3	318.461	2.555	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1	ZINC000248989405	337569140	/nfs/dbraw/zinc/56/91/40/337569140.db2.gz	NALLKWKTZHOOMV-UPJWGTAASA-N	0	3	319.355	2.742	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)Cc2ccccc2C)CC1	ZINC000078545622	337601633	/nfs/dbraw/zinc/60/16/33/337601633.db2.gz	OYUVONZUSCWOKI-UHFFFAOYSA-N	0	3	301.434	2.787	20	30		DFEDHN
C=CCOc1cccc(CN2CCNC[C@H]2c2ccncc2)c1	ZINC000261933871	337612708	/nfs/dbraw/zinc/61/27/08/337612708.db2.gz	CZXCAPCKCVARID-IBGZPJMESA-N	0	3	309.413	2.793	20	30		DFEDHN
C=CCOc1ccc(CNC[C@@]2(O)CCSC2)cc1Cl	ZINC000266993369	337634205	/nfs/dbraw/zinc/63/42/05/337634205.db2.gz	AZMZBMIFZNDANM-HNNXBMFYSA-N	0	3	313.850	2.862	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1	ZINC000421772102	337640285	/nfs/dbraw/zinc/64/02/85/337640285.db2.gz	YJUQEKDUKCJZSB-UHFFFAOYSA-N	0	3	317.389	2.592	20	30		DFEDHN
CCOc1ccc2nc(NC(=O)[C@H](N)CCCC#N)sc2c1	ZINC000424075256	337731143	/nfs/dbraw/zinc/73/11/43/337731143.db2.gz	JAHWKVQSHBZADS-LLVKDONJSA-N	0	3	318.402	2.655	20	30		DFEDHN
CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H](N)CCCC#N	ZINC000424072096	337731185	/nfs/dbraw/zinc/73/11/85/337731185.db2.gz	WXAVIMQVHZVTJN-CYBMUJFWSA-N	0	3	313.323	2.685	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1F	ZINC000424071704	337731191	/nfs/dbraw/zinc/73/11/91/337731191.db2.gz	BWNHHNDIBKDMHK-SNVBAGLBSA-N	0	3	314.158	2.548	20	30		DFEDHN
CCCCOc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1	ZINC000424082620	337732033	/nfs/dbraw/zinc/73/20/33/337732033.db2.gz	AGRKOUXDHNYNSO-INIZCTEOSA-N	0	3	303.406	2.503	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCc1nc2cc(Cl)ccc2s1	ZINC000424104043	337736858	/nfs/dbraw/zinc/73/68/58/337736858.db2.gz	ODQDWEPYPZEFMH-JTQLQIEISA-N	0	3	322.821	2.587	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000424120278	337744208	/nfs/dbraw/zinc/74/42/08/337744208.db2.gz	DRSLMZSMKMOGOB-ZFWWWQNUSA-N	0	3	305.809	2.677	20	30		DFEDHN
CC(C)c1ccc(CCCNC(=O)[C@H](N)CCCC#N)cc1	ZINC000424121200	337745719	/nfs/dbraw/zinc/74/57/19/337745719.db2.gz	FTGXTLXJZQQVME-QGZVFWFLSA-N	0	3	301.434	2.880	20	30		DFEDHN
CCC(CC)(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1	ZINC000424131664	337750761	/nfs/dbraw/zinc/75/07/61/337750761.db2.gz	WRGHJCFRJJRFSV-INIZCTEOSA-N	0	3	301.434	2.882	20	30		DFEDHN
CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)CC2	ZINC000424174811	337795394	/nfs/dbraw/zinc/79/53/94/337795394.db2.gz	PNJTZNYGDOPHPP-KRWDZBQOSA-N	0	3	313.445	2.890	20	30		DFEDHN
C=CCC1(C(=O)Nc2ccc3c(c2F)CCNC3)CCOCC1	ZINC000424179758	337799923	/nfs/dbraw/zinc/79/99/23/337799923.db2.gz	UGJPDUYBNFNSLM-UHFFFAOYSA-N	0	3	318.392	2.783	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)Nc1nc(Cc2ccccc2)cs1	ZINC000424193706	337805692	/nfs/dbraw/zinc/80/56/92/337805692.db2.gz	RCOIMMTXMYRIDA-CQSZACIVSA-N	0	3	314.414	2.694	20	30		DFEDHN
COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1	ZINC000424326494	337821270	/nfs/dbraw/zinc/82/12/70/337821270.db2.gz	LVUVTOLYCVRVDF-FPMFFAJLSA-N	0	3	301.390	2.996	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CSC)CC1	ZINC000119733880	337863112	/nfs/dbraw/zinc/86/31/12/337863112.db2.gz	PNSLYXRJSHFRMR-HNNXBMFYSA-N	0	3	311.495	2.564	20	30		DFEDHN
C=CC1CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1	ZINC000093359248	337915473	/nfs/dbraw/zinc/91/54/73/337915473.db2.gz	JFTMMQNLXLOYKW-UHFFFAOYSA-N	0	3	319.449	2.850	20	30		DFEDHN
Cc1ccc(NC[C@@H](C#N)CCC#N)c(OCCN(C)C)c1	ZINC000515638160	337994220	/nfs/dbraw/zinc/99/42/20/337994220.db2.gz	UDIZIXBYHYUYAE-OAHLLOKOSA-N	0	3	300.406	2.791	20	30		DFEDHN
C=CCNC(=O)[C@@H](C)N1CCN(C2CCC(C(C)C)CC2)CC1	ZINC000084680582	338005482	/nfs/dbraw/zinc/00/54/82/338005482.db2.gz	TUOSKVYLMDPBFT-WWDZGPRUSA-N	0	3	321.509	2.510	20	30		DFEDHN
C=CCC[C@H](C(=O)NCCNc1ccncc1)c1ccccc1	ZINC000429022797	338069060	/nfs/dbraw/zinc/06/90/60/338069060.db2.gz	TYCOCRIFWCYXEF-SFHVURJKSA-N	0	3	309.413	2.782	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC	ZINC000429319175	338077572	/nfs/dbraw/zinc/07/75/72/338077572.db2.gz	TUEAPYQXGJWEIF-OIISXLGYSA-N	0	3	308.466	2.616	20	30		DFEDHN
COc1cccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)c1	ZINC000430741576	338113131	/nfs/dbraw/zinc/11/31/31/338113131.db2.gz	MLVCZCYQWOXVJS-CYBMUJFWSA-N	0	3	301.390	2.696	20	30		DFEDHN
C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](CC=CC)C1=O)C(C)C	ZINC000430901420	338118456	/nfs/dbraw/zinc/11/84/56/338118456.db2.gz	TUEPSCVXZUNOPN-PDTSHOSPSA-N	0	3	319.449	2.572	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	ZINC000431513209	338133007	/nfs/dbraw/zinc/13/30/07/338133007.db2.gz	JUPMTZXSUZWOIU-BDAKNGLRSA-N	0	3	304.737	2.727	20	30		DFEDHN
CCOc1ncccc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000433218997	338186394	/nfs/dbraw/zinc/18/63/94/338186394.db2.gz	IIYCNIDMIVPHBC-INIZCTEOSA-N	0	3	323.396	2.869	20	30		DFEDHN
CCn1cc(NC(=O)C(C#N)CCc2ccccc2)ccc1=O	ZINC000433310890	338191378	/nfs/dbraw/zinc/19/13/78/338191378.db2.gz	DWRAVJDKJQEMBL-OAHLLOKOSA-N	0	3	309.369	2.579	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC(=O)Nc1ccccc1	ZINC000433314586	338191846	/nfs/dbraw/zinc/19/18/46/338191846.db2.gz	VLZHKGHJXKBZON-INIZCTEOSA-N	0	3	321.380	2.514	20	30		DFEDHN
CC(C)CCOCCNC(=O)C(C#N)CCc1ccccc1	ZINC000433320404	338192221	/nfs/dbraw/zinc/19/22/21/338192221.db2.gz	UIXOAZGQYXMJKZ-KRWDZBQOSA-N	0	3	302.418	2.938	20	30		DFEDHN
CN(CCC#N)C(=O)CCN1CC[C@@H](c2cccc(Cl)c2)C1	ZINC000433321995	338192390	/nfs/dbraw/zinc/19/23/90/338192390.db2.gz	YWXNAFQVKHSWJH-OAHLLOKOSA-N	0	3	319.836	2.891	20	30		DFEDHN
C[C@H](O)C[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000433368041	338193850	/nfs/dbraw/zinc/19/38/50/338193850.db2.gz	SJNJRAVSXVXJCL-BHYGNILZSA-N	0	3	300.402	2.521	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CCCCO1	ZINC000433374727	338194207	/nfs/dbraw/zinc/19/42/07/338194207.db2.gz	VVIZIOISSOVKCO-IAGOWNOFSA-N	0	3	300.402	2.834	20	30		DFEDHN
C=CCOc1ccc(CN(C)CCN2CCOC(C)(C)C2)cc1	ZINC000435060470	338231321	/nfs/dbraw/zinc/23/13/21/338231321.db2.gz	LAPUERNMHIHIBA-UHFFFAOYSA-N	0	3	318.461	2.794	20	30		DFEDHN
CSCCN(C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000435123431	338232396	/nfs/dbraw/zinc/23/23/96/338232396.db2.gz	GQJPLIWPGSSQND-UHFFFAOYSA-N	0	3	315.446	2.654	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]2C(C)(C)O)cc(OC)c1O	ZINC000154434607	338243216	/nfs/dbraw/zinc/24/32/16/338243216.db2.gz	VZFKZJVFTRLMCD-MRXNPFEDSA-N	0	3	305.418	2.865	20	30		DFEDHN
CC(C#N)C(=O)NC(C)(C)COc1ncc(Cl)cc1Cl	ZINC000436041641	338256487	/nfs/dbraw/zinc/25/64/87/338256487.db2.gz	VKQYDHNSUIIHQX-MRVPVSSYSA-N	0	3	316.188	2.822	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(OCCN(C)C)c1	ZINC000437806818	338322305	/nfs/dbraw/zinc/32/23/05/338322305.db2.gz	GFNZTYGNCQKNGA-SFHVURJKSA-N	0	3	320.433	2.794	20	30		DFEDHN
OCC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000438066175	338329558	/nfs/dbraw/zinc/32/95/58/338329558.db2.gz	OWZIBOWZWAXFJH-CQSZACIVSA-N	0	3	313.319	2.641	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1SC	ZINC000451603373	338740170	/nfs/dbraw/zinc/74/01/70/338740170.db2.gz	ZAGONKQCOHMNFI-BZPMIXESSA-N	0	3	306.431	2.669	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](c1cccs1)C(C)(C)C	ZINC000451607246	338740284	/nfs/dbraw/zinc/74/02/84/338740284.db2.gz	OVGIMZLQIPNLQR-DVOMOZLQSA-N	0	3	322.474	2.885	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(S(=O)(=O)C(C)C)cc1	ZINC000451682708	338741895	/nfs/dbraw/zinc/74/18/95/338741895.db2.gz	PSDAXUKJAOLBQP-SJORKVTESA-N	0	3	323.458	2.692	20	30		DFEDHN
C=CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)CC)CC1	ZINC000453424120	338841183	/nfs/dbraw/zinc/84/11/83/338841183.db2.gz	HLTNUGWGUXPZCH-OAHLLOKOSA-N	0	3	319.497	2.973	20	30		DFEDHN
Cc1ncccc1NC(=O)[C@H](C)NC1CCC(C)(C#N)CC1	ZINC000453462857	338843817	/nfs/dbraw/zinc/84/38/17/338843817.db2.gz	XKOFSGFQTXUPRM-CBCUQQMYSA-N	0	3	300.406	2.779	20	30		DFEDHN
C=C(CC)CNC(=O)C(=O)Nc1cccc(CN(CC)CC)c1	ZINC000454034584	338853557	/nfs/dbraw/zinc/85/35/57/338853557.db2.gz	QXCFICZMZLXOBT-UHFFFAOYSA-N	0	3	317.433	2.549	20	30		DFEDHN
C=C(C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1	ZINC000454927265	338875972	/nfs/dbraw/zinc/87/59/72/338875972.db2.gz	ONAJLBBFKIEPLM-UHFFFAOYSA-N	0	3	305.426	2.546	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000455193012	338885447	/nfs/dbraw/zinc/88/54/47/338885447.db2.gz	MOLRLEWWCZSIJH-ULQDDVLXSA-N	0	3	320.481	2.878	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC	ZINC000457459598	338964606	/nfs/dbraw/zinc/96/46/06/338964606.db2.gz	PVHZOTIPPWJWEB-KRWDZBQOSA-N	0	3	301.434	2.734	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1CF)C(C)C	ZINC000457755625	338977462	/nfs/dbraw/zinc/97/74/62/338977462.db2.gz	RYRDEHQVIQAEIC-CVEARBPZSA-N	0	3	311.445	2.829	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1	ZINC000458288515	338994921	/nfs/dbraw/zinc/99/49/21/338994921.db2.gz	LXRBXTXKFLTMCZ-ZDUSSCGKSA-N	0	3	324.396	2.686	20	30		DFEDHN
C[C@H](NC(=O)NCC(C)(C)CC#N)[C@H](c1ccccc1)N(C)C	ZINC000458787632	339005317	/nfs/dbraw/zinc/00/53/17/339005317.db2.gz	XRNVFNYHCGRMCD-GOEBONIOSA-N	0	3	316.449	2.917	20	30		DFEDHN
C=C(C)CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000459008166	339010982	/nfs/dbraw/zinc/01/09/82/339010982.db2.gz	TWYYKRZYCKXYTM-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=C(CC)CNC(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000459072146	339012790	/nfs/dbraw/zinc/01/27/90/339012790.db2.gz	HSVFZBMJTCXCTO-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)NCC(C)(C)CC#N)c1ccc(F)cc1	ZINC000459250119	339017736	/nfs/dbraw/zinc/01/77/36/339017736.db2.gz	ZKZDJHKODRIWNB-OAHLLOKOSA-N	0	3	320.412	2.667	20	30		DFEDHN
C=C(C)CN(CCc1cncn1C)Cc1cnn(C(C)C)c1	ZINC000459467704	339030900	/nfs/dbraw/zinc/03/09/00/339030900.db2.gz	QDSYDNJAGDHVGH-UHFFFAOYSA-N	0	3	301.438	2.818	20	30		DFEDHN
N#C[C@H]1CCC[C@@H]1NCCCCCn1nnc(-c2ccccc2)n1	ZINC000459471108	339031216	/nfs/dbraw/zinc/03/12/16/339031216.db2.gz	VBAFFXDBHDCNGY-SJORKVTESA-N	0	3	324.432	2.792	20	30		DFEDHN
N#CCc1ccc(CNC2(C(N)=O)C3CC4CC(C3)CC2C4)cc1	ZINC000459783077	339048240	/nfs/dbraw/zinc/04/82/40/339048240.db2.gz	VAIXKPRWCWFMOT-UHFFFAOYSA-N	0	3	323.440	2.522	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000459810331	339049544	/nfs/dbraw/zinc/04/95/44/339049544.db2.gz	TYDIYYQXPSRNCB-BPQIPLTHSA-N	0	3	322.493	2.673	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@@H](C)C1(F)F)C(C)C	ZINC000460971939	339056288	/nfs/dbraw/zinc/05/62/88/339056288.db2.gz	GLILNXMWFPHCSF-MGPQQGTHSA-N	0	3	300.393	2.702	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC#Cc1ccccc1	ZINC000469443503	339289443	/nfs/dbraw/zinc/28/94/43/339289443.db2.gz	XMGSEBPTXKUOBJ-IBGZPJMESA-N	0	3	302.377	2.927	20	30		DFEDHN
C=CCn1cccc1C(=O)NCC1CCN(c2ccncc2)CC1	ZINC000488825119	339794504	/nfs/dbraw/zinc/79/45/04/339794504.db2.gz	WBPHSAUIMQBVAW-UHFFFAOYSA-N	0	3	324.428	2.716	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1	ZINC000490671324	339837118	/nfs/dbraw/zinc/83/71/18/339837118.db2.gz	RBZLODDMPVXJAN-UHFFFAOYSA-N	0	3	324.428	2.901	20	30		DFEDHN
C#CCNC(=O)C1CCN(c2c(C)c(C)nc3ccccc32)CC1	ZINC000491382661	339860107	/nfs/dbraw/zinc/86/01/07/339860107.db2.gz	JHWLSSJKHXYADX-UHFFFAOYSA-N	0	3	321.424	2.817	20	30		DFEDHN
C#C[C@H](NC[C@@H](O)CO[C@H]1CCCc2ccccc21)C(C)C	ZINC000491483395	339863847	/nfs/dbraw/zinc/86/38/47/339863847.db2.gz	BQCXQHMITPAPNX-NEWSRXKRSA-N	0	3	301.430	2.689	20	30		DFEDHN
C#C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc(F)cc1	ZINC000491669936	339872682	/nfs/dbraw/zinc/87/26/82/339872682.db2.gz	OHJSIQDCKGUSGH-GOSISDBHSA-N	0	3	310.372	2.992	20	30		DFEDHN
C#C[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1ccc(F)cc1	ZINC000491694403	339874425	/nfs/dbraw/zinc/87/44/25/339874425.db2.gz	MFITXHBXKJYMJZ-INIZCTEOSA-N	0	3	317.408	2.626	20	30		DFEDHN
C#CC[C@H](CC(F)(F)F)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000495884913	339994014	/nfs/dbraw/zinc/99/40/14/339994014.db2.gz	JWJKDWVZUYYTCU-VXGBXAGGSA-N	0	3	320.355	2.930	20	30		DFEDHN
CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2NCCC#N	ZINC000496617465	340009025	/nfs/dbraw/zinc/00/90/25/340009025.db2.gz	MKHFZBGOFNOCGV-DGKWVBSXSA-N	0	3	307.438	2.962	20	30		DFEDHN
C#CC[C@@H](CC(F)(F)F)NC1CC(NC(=O)OC(C)(C)C)C1	ZINC000496963631	340017128	/nfs/dbraw/zinc/01/71/28/340017128.db2.gz	RBPCCDFSVLUTMW-UNXYVOJBSA-N	0	3	320.355	2.976	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC=C(CN[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000497039127	340018845	/nfs/dbraw/zinc/01/88/45/340018845.db2.gz	SVSCLIPFFSHNQM-LSDHHAIUSA-N	0	3	305.422	2.835	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F	ZINC000503518690	340129613	/nfs/dbraw/zinc/12/96/13/340129613.db2.gz	XSXUICCZWPRRJQ-JHJVBQTASA-N	0	3	304.381	2.549	20	30		DFEDHN
CCCN(C(=O)C(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1	ZINC000504192264	340142712	/nfs/dbraw/zinc/14/27/12/340142712.db2.gz	VGHODWZLLVASLL-KGLIPLIRSA-N	0	3	301.390	2.802	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2ccc(OCC)cc2C)CC1	ZINC000066921122	340852388	/nfs/dbraw/zinc/85/23/88/340852388.db2.gz	TYJYCOBMYIMVIF-UHFFFAOYSA-N	0	3	300.402	2.677	20	30		DFEDHN
C=CCCO[C@@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1	ZINC000133221215	341164297	/nfs/dbraw/zinc/16/42/97/341164297.db2.gz	WISSMPXQSHEKCL-INIZCTEOSA-N	0	3	318.461	2.994	20	30		DFEDHN
C=CCOCc1nc(-c2ccc3c(c2)C(SC)C(=O)N3)no1	ZINC000546500442	341171091	/nfs/dbraw/zinc/17/10/91/341171091.db2.gz	IKGHQBQABUNRID-ZDUSSCGKSA-N	0	3	317.370	2.795	20	30		DFEDHN
N#CC(C(=O)c1ccc(N2CCCCCC2)nc1)c1ccncn1	ZINC000546860102	341183886	/nfs/dbraw/zinc/18/38/86/341183886.db2.gz	ZYUQOJRIPWLUTC-HNNXBMFYSA-N	0	3	321.384	2.742	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](OC)C1)C(C)C	ZINC000076554056	341209498	/nfs/dbraw/zinc/20/94/98/341209498.db2.gz	VKIQUXTVVLJITD-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OCc2noc(C)n2)cc1	ZINC000134506262	341216591	/nfs/dbraw/zinc/21/65/91/341216591.db2.gz	YTCZQCHYGUANAD-UHFFFAOYSA-N	0	3	317.389	2.639	20	30		DFEDHN
C=C[C@@](C)(CC)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000135170278	341232720	/nfs/dbraw/zinc/23/27/20/341232720.db2.gz	XPANDVQCNLFZQI-YJBOKZPZSA-N	0	3	320.433	2.529	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	ZINC000078324838	341240395	/nfs/dbraw/zinc/24/03/95/341240395.db2.gz	LMGZPUYTACVOQQ-IYBDPMFKSA-N	0	3	305.466	2.859	20	30		DFEDHN
CC(C)(C#N)CCN1CCC(c2nnc3n2CCCC3)CC1	ZINC000548168539	341251139	/nfs/dbraw/zinc/25/11/39/341251139.db2.gz	LIIFRWMLLKUYMS-UHFFFAOYSA-N	0	3	301.438	2.734	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1nccs1)C(C)C	ZINC000079067006	341252965	/nfs/dbraw/zinc/25/29/65/341252965.db2.gz	HPPRCXUCCSOKPV-CYBMUJFWSA-N	0	3	308.451	2.963	20	30		DFEDHN
C[C@@H](O)[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1	ZINC000136823388	341267749	/nfs/dbraw/zinc/26/77/49/341267749.db2.gz	FWXMYWYTUAFHSZ-WBVHZDCISA-N	0	3	302.418	2.962	20	30		DFEDHN
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](N2CCCC2)C1	ZINC000549691513	341300626	/nfs/dbraw/zinc/30/06/26/341300626.db2.gz	IHAHTVWXJLHBCG-MRXNPFEDSA-N	0	3	315.465	2.796	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	ZINC000549807369	341303586	/nfs/dbraw/zinc/30/35/86/341303586.db2.gz	BIRVWLWUXDDXDO-BZSNNMDCSA-N	0	3	312.413	2.833	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccs1)c1nnc[n-]1	ZINC000550797095	341323238	/nfs/dbraw/zinc/32/32/38/341323238.db2.gz	KYDJNPPMKQFOOE-XBFCOCLRSA-N	0	3	304.419	2.526	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1cccs1)c1nnc[nH]1	ZINC000550797095	341323239	/nfs/dbraw/zinc/32/32/39/341323239.db2.gz	KYDJNPPMKQFOOE-XBFCOCLRSA-N	0	3	304.419	2.526	20	30		DFEDHN
CN(C(=O)CN1CCC[C@H]2CCC[C@H]21)C1(C#N)CCCCC1	ZINC000247204609	341362264	/nfs/dbraw/zinc/36/22/64/341362264.db2.gz	CDSUDSKTUHPSID-HZPDHXFCSA-N	0	3	303.450	2.936	20	30		DFEDHN
CN(C)C[C@H](CNC(=O)C1(C#N)CCC1)c1ccc(Cl)cc1	ZINC000552027346	341362851	/nfs/dbraw/zinc/36/28/51/341362851.db2.gz	FOFVFKWPEJLGMF-AWEZNQCLSA-N	0	3	319.836	2.795	20	30		DFEDHN
CCS[C@@H]1CCCC[C@@H]1NCC(=O)N(CC)C[C@H](C)C#N	ZINC000249521530	341398685	/nfs/dbraw/zinc/39/86/85/341398685.db2.gz	VSLSLWGPFKFVRH-QLFBSQMISA-N	0	3	311.495	2.648	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1	ZINC000155713277	341611786	/nfs/dbraw/zinc/61/17/86/341611786.db2.gz	NYPLKUIXUOVOPX-UHFFFAOYSA-N	0	3	305.466	2.906	20	30		DFEDHN
COc1cccc([C@@H](CNc2ccc(C#N)c(C)n2)N(C)C)c1	ZINC000323313590	533721020	/nfs/dbraw/zinc/72/10/20/533721020.db2.gz	GPEJLEGAKUGXFC-QGZVFWFLSA-N	0	3	310.401	2.985	20	30		DFEDHN
C[C@H]1CN(CCCCNc2c(C#N)cccc2C#N)C[C@H](C)O1	ZINC000302465425	533928616	/nfs/dbraw/zinc/92/86/16/533928616.db2.gz	SKXDQSQDLBZXMI-GJZGRUSLSA-N	0	3	312.417	2.731	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CC[C@@H](COc3ccccc3)C2)cc1	ZINC000272541394	518196648	/nfs/dbraw/zinc/19/66/48/518196648.db2.gz	JPTROYXOFHQSCR-XLIONFOSSA-N	0	3	322.408	2.993	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]3CCCC[C@H]32)c1	ZINC000331704230	534806070	/nfs/dbraw/zinc/80/60/70/534806070.db2.gz	ZNCJFYAVNGGMGW-ZWKOTPCHSA-N	0	3	311.429	2.829	20	30		DFEDHN
Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2sccc2C#N)c1	ZINC000156629313	526250354	/nfs/dbraw/zinc/25/03/54/526250354.db2.gz	FTOMYFGORXHZMH-UHFFFAOYSA-N	0	3	309.354	2.761	20	30		DFEDHN
CC(C)O[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C	ZINC000361898374	534933981	/nfs/dbraw/zinc/93/39/81/534933981.db2.gz	BTNJQYCAUXDMLZ-HOTGVXAUSA-N	0	3	312.417	2.888	20	30		DFEDHN
C=CC[C@@H](CO)NCc1cnn(Cc2ccccc2Cl)c1	ZINC000680484550	545501168	/nfs/dbraw/zinc/50/11/68/545501168.db2.gz	MEOMQDOMKLFAGE-HNNXBMFYSA-N	0	3	305.809	2.611	20	30		DFEDHN
CC[C@@H]1CN(C(C)=O)CC[C@H]1NCC#Cc1ccccc1Cl	ZINC000681457824	545642883	/nfs/dbraw/zinc/64/28/83/545642883.db2.gz	KAIRADPAOBDLAF-CRAIPNDOSA-N	0	3	318.848	2.928	20	30		DFEDHN
CC#CCCNC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000681538415	545667518	/nfs/dbraw/zinc/66/75/18/545667518.db2.gz	QWQYDSQKZQBONQ-UHFFFAOYSA-N	0	3	313.445	2.626	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1coc(C2CC2)n1)C(C)C	ZINC000681636090	545686183	/nfs/dbraw/zinc/68/61/83/545686183.db2.gz	ZQGCERLMCHHKSD-INIZCTEOSA-N	0	3	317.433	2.980	20	30		DFEDHN
C=CCN(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000681648162	545690972	/nfs/dbraw/zinc/69/09/72/545690972.db2.gz	VZZVOTALLDKDQL-QGZVFWFLSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)Cc1ccc(Br)c(F)c1	ZINC000683144452	545979507	/nfs/dbraw/zinc/97/95/07/545979507.db2.gz	KUUILMKPTCVKGZ-ZDUSSCGKSA-N	0	3	302.187	2.957	20	30		DFEDHN
C=C[C@](C)(CCOC)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1	ZINC000685326201	546342770	/nfs/dbraw/zinc/34/27/70/546342770.db2.gz	RYHHBXLHNHYXFJ-DSZSVDOYSA-N	0	3	305.422	2.890	20	30		DFEDHN
C=C(C)[C@H](CO)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000685596745	546373681	/nfs/dbraw/zinc/37/36/81/546373681.db2.gz	SEHPGJCZYJWRRR-HRCADAONSA-N	0	3	312.816	2.751	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000735408893	598866311	/nfs/dbraw/zinc/86/63/11/598866311.db2.gz	UPNKFIVEIUDDNW-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1	ZINC000735408893	598866312	/nfs/dbraw/zinc/86/63/12/598866312.db2.gz	UPNKFIVEIUDDNW-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000735408893	598866313	/nfs/dbraw/zinc/86/63/13/598866313.db2.gz	UPNKFIVEIUDDNW-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CCCCCC[N@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1	ZINC000735408893	598866314	/nfs/dbraw/zinc/86/63/14/598866314.db2.gz	UPNKFIVEIUDDNW-UHFFFAOYSA-N	0	3	315.421	2.924	20	30		DFEDHN
C=CC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1	ZINC000819730272	606896484	/nfs/dbraw/zinc/89/64/84/606896484.db2.gz	UTOUZDJNPXDOKE-UHFFFAOYSA-N	0	3	313.405	2.534	20	30		DFEDHN
C=CC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1	ZINC000819730272	606896485	/nfs/dbraw/zinc/89/64/85/606896485.db2.gz	UTOUZDJNPXDOKE-UHFFFAOYSA-N	0	3	313.405	2.534	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1)C1CC1	ZINC000823894335	608285860	/nfs/dbraw/zinc/28/58/60/608285860.db2.gz	NONNIUUQWRQRTE-HNNXBMFYSA-N	0	3	313.405	2.710	20	30		DFEDHN
C=CCC[C@H]([NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1)C1CC1	ZINC000823894335	608285861	/nfs/dbraw/zinc/28/58/61/608285861.db2.gz	NONNIUUQWRQRTE-HNNXBMFYSA-N	0	3	313.405	2.710	20	30		DFEDHN
C#CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1	ZINC000823846123	608634823	/nfs/dbraw/zinc/63/48/23/608634823.db2.gz	ZGBYTECUJGOETF-UHFFFAOYSA-N	0	3	301.419	2.696	20	30		DFEDHN
C#CC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1	ZINC000823846123	608634824	/nfs/dbraw/zinc/63/48/24/608634824.db2.gz	ZGBYTECUJGOETF-UHFFFAOYSA-N	0	3	301.419	2.696	20	30		DFEDHN
C=CCCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000076733797	185037192	/nfs/dbraw/zinc/03/71/92/185037192.db2.gz	YRQJIZAXWQIVSI-GFCCVEGCSA-N	0	3	307.369	2.760	20	30		DFEDHN
C=CCOc1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1Cl	ZINC000278574062	214246649	/nfs/dbraw/zinc/24/66/49/214246649.db2.gz	FAOMBRFQYFPWDE-BLLLJJGKSA-N	0	3	311.809	2.534	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)C1CCN(C2CC2)CC1	ZINC000278727927	214359244	/nfs/dbraw/zinc/35/92/44/214359244.db2.gz	HTNYLBZOKLXZCS-UHFFFAOYSA-N	0	3	302.418	2.711	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc3c([nH]2)CCCC3)CC1	ZINC000448921442	398345879	/nfs/dbraw/zinc/34/58/79/398345879.db2.gz	MZFUZMJXLZKAGT-UHFFFAOYSA-N	0	3	301.434	2.664	20	30		DFEDHN
COc1ccc2ncc(C#N)c(N3CCN(CC4CC4)CC3)c2c1	ZINC000591900178	398347661	/nfs/dbraw/zinc/34/76/61/398347661.db2.gz	HEGJQZIAFNQCMX-UHFFFAOYSA-N	0	3	322.412	2.647	20	30		DFEDHN
CCCC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000232960950	398358728	/nfs/dbraw/zinc/35/87/28/398358728.db2.gz	BSMODQCJRDERTA-UHFFFAOYSA-N	0	3	306.431	2.502	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1	ZINC000066160960	398360097	/nfs/dbraw/zinc/36/00/97/398360097.db2.gz	SZPZEOPKWZDPCZ-INIZCTEOSA-N	0	3	315.417	2.953	20	30		DFEDHN
Cc1c2nc(NC(=O)[C@@H](N)CCCC#N)sc2ccc1F	ZINC000578879499	398376490	/nfs/dbraw/zinc/37/64/90/398376490.db2.gz	VIJSHNWUCGDSFI-JTQLQIEISA-N	0	3	306.366	2.704	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c[nH]c(C#N)c1	ZINC000181309380	199280356	/nfs/dbraw/zinc/28/03/56/199280356.db2.gz	ZUMNTSXPTRTYEX-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1(C#N)CC1	ZINC000580988960	398387032	/nfs/dbraw/zinc/38/70/32/398387032.db2.gz	ZARXLRKXBULMPD-UHFFFAOYSA-N	0	3	314.433	2.583	20	30		DFEDHN
C=CCc1cc(CN(CC)CCC(=O)OC)cc(OC)c1O	ZINC000092380063	185314744	/nfs/dbraw/zinc/31/47/44/185314744.db2.gz	QQNJAMSEHDMDTH-UHFFFAOYSA-N	0	3	307.390	2.514	20	30		DFEDHN
CC(=O)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@H](C)C1	ZINC000681445446	545641457	/nfs/dbraw/zinc/64/14/57/545641457.db2.gz	SNLCHXCYEBIBLK-DYVFJYSZSA-N	0	3	304.821	2.538	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000581412774	398390512	/nfs/dbraw/zinc/39/05/12/398390512.db2.gz	FGCOTVORZCLYKS-ZDUSSCGKSA-N	0	3	320.824	2.869	20	30		DFEDHN
CC(=O)NCCN(C)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000592152067	398392518	/nfs/dbraw/zinc/39/25/18/398392518.db2.gz	PNHDUXXBSSDHSR-UHFFFAOYSA-N	0	3	307.397	2.793	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN3CC[C@H](CO)C3)c2)c1	ZINC000092764451	185339064	/nfs/dbraw/zinc/33/90/64/185339064.db2.gz	SNCBPGPOUFLIBI-IBGZPJMESA-N	0	3	322.408	2.951	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]([C@H]2CCCC2(C)C)C1	ZINC000592154750	398393487	/nfs/dbraw/zinc/39/34/87/398393487.db2.gz	VHTRTVANIHDDHE-OWCLPIDISA-N	0	3	305.466	2.895	20	30		DFEDHN
CCN1CCC(N(C(=O)c2cc(C#N)cs2)C2CC2)CC1	ZINC000084086175	398393069	/nfs/dbraw/zinc/39/30/69/398393069.db2.gz	SJVYHOVGMAEOBU-UHFFFAOYSA-N	0	3	303.431	2.709	20	30		DFEDHN
CNC(=O)CC[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1	ZINC000286658864	219108698	/nfs/dbraw/zinc/10/86/98/219108698.db2.gz	ZRVYOZOSQXPTDH-OAHLLOKOSA-N	0	3	303.381	2.578	20	30		DFEDHN
N#Cc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1	ZINC000086254476	398419666	/nfs/dbraw/zinc/41/96/66/398419666.db2.gz	AIBFLFBCOQHHEV-UHFFFAOYSA-N	0	3	311.385	2.720	20	30		DFEDHN
COc1cccc([C@@H](C/N=C/c2cccc(O)c2O)N(C)C)c1	ZINC000022769156	398420366	/nfs/dbraw/zinc/42/03/66/398420366.db2.gz	GNLFORLXUADIFY-YDDPGSGASA-N	0	3	314.385	2.828	20	30		DFEDHN
COc1cccc([C@H](C/N=C/c2cccc(O)c2O)N(C)C)c1	ZINC000022769158	398420584	/nfs/dbraw/zinc/42/05/84/398420584.db2.gz	GNLFORLXUADIFY-ZVCOJXFSSA-N	0	3	314.385	2.828	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	ZINC000180031091	334942854	/nfs/dbraw/zinc/94/28/54/334942854.db2.gz	QTMUCUVLKUYBPU-HNNXBMFYSA-N	0	3	301.434	2.630	20	30		DFEDHN
N#Cc1cnccc1CN1CCNC[C@@H]1c1ccccc1Cl	ZINC000592489573	398432692	/nfs/dbraw/zinc/43/26/92/398432692.db2.gz	PIVNZLOBSAEREJ-QGZVFWFLSA-N	0	3	312.804	2.753	20	30		DFEDHN
CC1(C)CN(C[C@@H]2CNc3c(C#N)cnn3C2)[C@@H]1c1ccccc1	ZINC000592499895	398434690	/nfs/dbraw/zinc/43/46/90/398434690.db2.gz	CBJRUFHCBZWISK-WMLDXEAASA-N	0	3	321.428	2.880	20	30		DFEDHN
C[C@@H](NCc1ccc(C#N)c(Cl)c1)C(C)(C)n1cncn1	ZINC000585726434	398441919	/nfs/dbraw/zinc/44/19/19/398441919.db2.gz	BJLLQWSHAOAGRJ-LLVKDONJSA-N	0	3	303.797	2.717	20	30		DFEDHN
Cc1nsc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000585706971	398441095	/nfs/dbraw/zinc/44/10/95/398441095.db2.gz	KYHCLUUNISLPEG-VXGBXAGGSA-N	0	3	308.451	2.625	20	30		DFEDHN
C#CCSCCNCc1c[nH]nc1-c1c(F)cccc1F	ZINC000132969231	334951526	/nfs/dbraw/zinc/95/15/26/334951526.db2.gz	PJCCRIZBFVESIW-UHFFFAOYSA-N	0	3	307.369	2.811	20	30		DFEDHN
Cn1ccnc1[C@H](N[C@@H]1CCC[C@H](C#N)C1)C1CCOCC1	ZINC000585792275	398447532	/nfs/dbraw/zinc/44/75/32/398447532.db2.gz	KMJOYRUPMAVTJV-NUEKZKHPSA-N	0	3	302.422	2.560	20	30		DFEDHN
CCC#C[C@@H](C)N1CCC(n2ncc(C(=O)OCC)c2C)CC1	ZINC000586772969	398455812	/nfs/dbraw/zinc/45/58/12/398455812.db2.gz	JKWHZIYJQCUCCV-CQSZACIVSA-N	0	3	317.433	2.807	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1ccco1	ZINC000596597522	398457740	/nfs/dbraw/zinc/45/77/40/398457740.db2.gz	AUTDAQPJIZQCEQ-VBQJREDUSA-N	0	3	318.421	2.654	20	30		DFEDHN
CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)c1ccco1	ZINC000596597520	398457375	/nfs/dbraw/zinc/45/73/75/398457375.db2.gz	AUTDAQPJIZQCEQ-GRDNDAEWSA-N	0	3	318.421	2.654	20	30		DFEDHN
C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)[C@H](c1ccccc1)N(C)C	ZINC000596597677	398457686	/nfs/dbraw/zinc/45/76/86/398457686.db2.gz	XCMQEHDQOWHTMC-YXJHDRRASA-N	0	3	314.433	2.623	20	30		DFEDHN
CC[C@@](C)(C#N)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1	ZINC000586802994	398462838	/nfs/dbraw/zinc/46/28/38/398462838.db2.gz	IJOHKGXXSUYQIF-SFHVURJKSA-N	0	3	315.417	2.522	20	30		DFEDHN
C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CC(F)F	ZINC000592671782	398464763	/nfs/dbraw/zinc/46/47/63/398464763.db2.gz	GNNGUDYMMUGGDT-FZMZJTMJSA-N	0	3	305.328	2.648	20	30		DFEDHN
CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C)C1	ZINC000596639857	398468422	/nfs/dbraw/zinc/46/84/22/398468422.db2.gz	BTJSWDJQBNWTQH-CYBMUJFWSA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@H]1C[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000587985109	398473524	/nfs/dbraw/zinc/47/35/24/398473524.db2.gz	RLJOFYTVZAYTJL-JQWIXIFHSA-N	0	3	303.797	2.754	20	30		DFEDHN
Cc1cc(C#N)nc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1	ZINC000286759935	219151208	/nfs/dbraw/zinc/15/12/08/219151208.db2.gz	HKKMOCJHBKTNPZ-GUYCJALGSA-N	0	3	307.401	2.589	20	30		DFEDHN
N#CC1(CC(=O)N2CCN(c3ccncc3)CC2)CCCCC1	ZINC000596669112	398475980	/nfs/dbraw/zinc/47/59/80/398475980.db2.gz	HQHIEWJLGGEVSA-UHFFFAOYSA-N	0	3	312.417	2.594	20	30		DFEDHN
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C#N)cc1	ZINC000181729096	199344789	/nfs/dbraw/zinc/34/47/89/199344789.db2.gz	QWTJWUAVAOGBGW-BEFAXECRSA-N	0	3	321.424	2.908	20	30		DFEDHN
CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000596725707	398486794	/nfs/dbraw/zinc/48/67/94/398486794.db2.gz	MYRKMSMAJINYLX-CYBMUJFWSA-N	0	3	304.369	2.692	20	30		DFEDHN
C[C@@H](CN1CCC(C)CC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000596724724	398486849	/nfs/dbraw/zinc/48/68/49/398486849.db2.gz	CKTQNIJRUCGXNE-ZDUSSCGKSA-N	0	3	318.396	2.939	20	30		DFEDHN
CN(C)C[C@H](Cc1ccccc1)NC(=O)CCCCCC#N	ZINC000588301925	398493256	/nfs/dbraw/zinc/49/32/56/398493256.db2.gz	PSVRLYYNQSMTJS-KRWDZBQOSA-N	0	3	301.434	2.750	20	30		DFEDHN
CCCN(CCN1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1C#N	ZINC000596761933	398495463	/nfs/dbraw/zinc/49/54/63/398495463.db2.gz	DBEMEAAKEAJAGX-JKSUJKDBSA-N	0	3	306.454	2.586	20	30		DFEDHN
CCN(Cc1ccccc1)C[C@H](O)COc1ccccc1C#N	ZINC000302864856	398496045	/nfs/dbraw/zinc/49/60/45/398496045.db2.gz	RJBOYWLMODEVJK-SFHVURJKSA-N	0	3	310.397	2.820	20	30		DFEDHN
CCCN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000596801693	398504495	/nfs/dbraw/zinc/50/44/95/398504495.db2.gz	LKDGUPWOHYLDJK-LBPRGKRZSA-N	0	3	306.797	2.817	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)C1(C)CCOCC1)C(C)C	ZINC000588705265	398504920	/nfs/dbraw/zinc/50/49/20/398504920.db2.gz	GSXFWWRZPMDJPU-INIZCTEOSA-N	0	3	308.466	2.618	20	30		DFEDHN
CCc1nc(C#N)cc(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000308175332	398512484	/nfs/dbraw/zinc/51/24/84/398512484.db2.gz	FBJBKGFIQDLMQM-KRWDZBQOSA-N	0	3	321.428	2.621	20	30		DFEDHN
C[C@H]1C[C@H](Nc2ncc(Br)cc2C#N)CCN1C	ZINC000311108743	398514586	/nfs/dbraw/zinc/51/45/86/398514586.db2.gz	DTNFFHLGJCXWCC-JOYOIKCWSA-N	0	3	309.211	2.610	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)c(F)c1	ZINC000589349772	398548047	/nfs/dbraw/zinc/54/80/47/398548047.db2.gz	BCAOZUHJOHVIEY-ZDUSSCGKSA-N	0	3	304.369	2.693	20	30		DFEDHN
N#CCN1CCC(NCc2cscc2C(F)(F)F)CC1	ZINC000589311436	398544876	/nfs/dbraw/zinc/54/48/76/398544876.db2.gz	FENSSQHIEQLCPL-UHFFFAOYSA-N	0	3	303.353	2.844	20	30		DFEDHN
COC(=O)[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C1CC1	ZINC000593132164	398554333	/nfs/dbraw/zinc/55/43/33/398554333.db2.gz	YUZWKLASNIXQNW-DLBZAZTESA-N	0	3	317.816	2.823	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@H](OCCOCC)C2)cc1	ZINC000092067283	398554899	/nfs/dbraw/zinc/55/48/99/398554899.db2.gz	RGGHGEPSAXNAOE-SFHVURJKSA-N	0	3	305.418	2.879	20	30		DFEDHN
CC(C#N)C(=O)N1CCC(c2noc3cc(F)ccc32)CC1	ZINC000589539433	398559411	/nfs/dbraw/zinc/55/94/11/398559411.db2.gz	OIJZIZCHFOCOIN-JTQLQIEISA-N	0	3	301.321	2.833	20	30		DFEDHN
N#Cc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)n1	ZINC000593178948	398565944	/nfs/dbraw/zinc/56/59/44/398565944.db2.gz	DTLJIPULZJZFJL-QWRGUYRKSA-N	0	3	313.279	2.639	20	30		DFEDHN
C=CCSCCNCc1ccc(Cl)cc1-n1cncn1	ZINC000280948514	334968078	/nfs/dbraw/zinc/96/80/78/334968078.db2.gz	RJIVNYGBZHAAAC-UHFFFAOYSA-N	0	3	308.838	2.930	20	30		DFEDHN
C=C(C)CS(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1	ZINC000280556645	334968096	/nfs/dbraw/zinc/96/80/96/334968096.db2.gz	JRMRRVWLSZSJDP-CQSZACIVSA-N	0	3	310.463	2.611	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1	ZINC000279895125	215215348	/nfs/dbraw/zinc/21/53/48/215215348.db2.gz	UYTYDNJDLJMOCW-ATNYBXOESA-N	0	3	300.402	2.888	20	30		DFEDHN
Cn1nccc1[C@@H]1OCCC[C@H]1CNCC1(C#N)CCCC1	ZINC000597157805	398578421	/nfs/dbraw/zinc/57/84/21/398578421.db2.gz	KTIAKKCRSIAFGR-GOEBONIOSA-N	0	3	302.422	2.561	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCC[C@H]1C[C@@H](C)O	ZINC000279927742	215244886	/nfs/dbraw/zinc/24/48/86/215244886.db2.gz	WPDQFCJTXPRLBL-ZBFHGGJFSA-N	0	3	318.417	2.571	20	30		DFEDHN
CN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21	ZINC000042626942	398596919	/nfs/dbraw/zinc/59/69/19/398596919.db2.gz	ZCCRJFZFSCKLJV-FXAWDEMLSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#Cc1cnn2cc(CN[C@@H]3CC[C@@H]3c3ccccc3)cnc12	ZINC000597225238	398596913	/nfs/dbraw/zinc/59/69/13/398596913.db2.gz	QLZGDJDXTQMPGK-IAGOWNOFSA-N	0	3	303.369	2.637	20	30		DFEDHN
C=CCc1cc(CN2CCC[C@@H]2CCCO)cc(OC)c1O	ZINC000092784910	398601411	/nfs/dbraw/zinc/60/14/11/398601411.db2.gz	SQANEANXEUOEAN-MRXNPFEDSA-N	0	3	305.418	2.866	20	30		DFEDHN
CC[C@@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCC1	ZINC000593349547	398605615	/nfs/dbraw/zinc/60/56/15/398605615.db2.gz	JLCYPWOAEYJKBB-OAHLLOKOSA-N	0	3	306.454	2.634	20	30		DFEDHN
COc1ccc([C@@H](CNc2nccnc2C#N)N2CCCC2)cc1	ZINC000072082100	191034495	/nfs/dbraw/zinc/03/44/95/191034495.db2.gz	XWFDGTSDGUTSRP-QGZVFWFLSA-N	0	3	323.400	2.606	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CC2(C#N)CC2)[C@@H]1c1cccs1	ZINC000590273478	398608933	/nfs/dbraw/zinc/60/89/33/398608933.db2.gz	GMERATYLZFVHFB-CZUORRHYSA-N	0	3	317.458	2.941	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CC2(C#N)CC2)[C@H]1c1cccs1	ZINC000590273476	398609055	/nfs/dbraw/zinc/60/90/55/398609055.db2.gz	GMERATYLZFVHFB-BBRMVZONSA-N	0	3	317.458	2.941	20	30		DFEDHN
C=CCOc1ccc(CN2CCC([C@H](C)O)CC2)cc1OC	ZINC000092970198	398610834	/nfs/dbraw/zinc/61/08/34/398610834.db2.gz	WUKDLLTUSZJUJK-AWEZNQCLSA-N	0	3	305.418	2.853	20	30		DFEDHN
CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597331710	398622370	/nfs/dbraw/zinc/62/23/70/398622370.db2.gz	ZXLPRWKONPXSEV-CHWSQXEVSA-N	0	3	319.355	2.535	20	30		DFEDHN
CN(C)[C@H]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1	ZINC000590476752	398624796	/nfs/dbraw/zinc/62/47/96/398624796.db2.gz	PILVQJGBFVSSIL-FQEVSTJZSA-N	0	3	318.420	2.863	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCCC1	ZINC000593429458	398625894	/nfs/dbraw/zinc/62/58/94/398625894.db2.gz	GYTAJSRYZMQGPI-HZPDHXFCSA-N	0	3	318.465	2.729	20	30		DFEDHN
CC[C@H](C#N)C(=O)Nc1ccccc1NC1CCN(C)CC1	ZINC000593444693	398632325	/nfs/dbraw/zinc/63/23/25/398632325.db2.gz	CXXPSSZXVYBXRW-CYBMUJFWSA-N	0	3	300.406	2.681	20	30		DFEDHN
CN1CC[C@H]2[C@H](CCCN2C(=O)CC2(C#N)CCCCC2)C1	ZINC000597409282	398636823	/nfs/dbraw/zinc/63/68/23/398636823.db2.gz	CQZVFUCJIUUKOT-CVEARBPZSA-N	0	3	303.450	2.793	20	30		DFEDHN
CCC(C#N)C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC	ZINC000593497478	398646859	/nfs/dbraw/zinc/64/68/59/398646859.db2.gz	YPXOYDDGZWMUIE-YUELXQCFSA-N	0	3	306.406	2.507	20	30		DFEDHN
CCOC(=O)C[C@@H](NC(=O)C(C#N)CC)c1ccccc1C	ZINC000593500490	398647754	/nfs/dbraw/zinc/64/77/54/398647754.db2.gz	OXESZKJOMDLGLA-DZGCQCFKSA-N	0	3	302.374	2.655	20	30		DFEDHN
CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CC[C@@H](CC#N)C1	ZINC000590656430	398646359	/nfs/dbraw/zinc/64/63/59/398646359.db2.gz	HRQZBFZKLRQWTF-KBPBESRZSA-N	0	3	303.454	2.781	20	30		DFEDHN
Cc1csc(NC(=O)[C@H]2CCCN(CCCCC#N)C2)n1	ZINC000368879552	398652572	/nfs/dbraw/zinc/65/25/72/398652572.db2.gz	YZCXWWJHZIMCCS-ZDUSSCGKSA-N	0	3	306.435	2.796	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC	ZINC000593534869	398652807	/nfs/dbraw/zinc/65/28/07/398652807.db2.gz	GJOVWGDRVGIQHD-GXTWGEPZSA-N	0	3	302.374	2.593	20	30		DFEDHN
CCC(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000593532386	398653176	/nfs/dbraw/zinc/65/31/76/398653176.db2.gz	QETNWYOEANCXBV-HUUCEWRRSA-N	0	3	316.401	2.605	20	30		DFEDHN
CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)CC#N	ZINC000597518679	398655007	/nfs/dbraw/zinc/65/50/07/398655007.db2.gz	BKOFTFJXCJJALF-DOTOQJQBSA-N	0	3	301.434	2.809	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCN2CCCO)n1	ZINC000590707585	398655802	/nfs/dbraw/zinc/65/58/02/398655802.db2.gz	IZWHWLQXOONLLT-OAHLLOKOSA-N	0	3	316.449	2.509	20	30		DFEDHN
CC[C@@H](C#N)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1	ZINC000593571948	398656892	/nfs/dbraw/zinc/65/68/92/398656892.db2.gz	KCAVOJYWGQRPNO-HNNXBMFYSA-N	0	3	314.433	2.705	20	30		DFEDHN
N#Cc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1Cl	ZINC000171886695	198000796	/nfs/dbraw/zinc/00/07/96/198000796.db2.gz	LEFNCTKEELNCSP-ZDUSSCGKSA-N	0	3	304.781	2.524	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2csc(CC)n2)CC1	ZINC000171907838	198006172	/nfs/dbraw/zinc/00/61/72/198006172.db2.gz	XLKARSCSBODDST-LBPRGKRZSA-N	0	3	322.478	2.716	20	30		DFEDHN
N#Cc1c(F)cc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1F	ZINC000597568653	398662039	/nfs/dbraw/zinc/66/20/39/398662039.db2.gz	OXUUSLMHKOOHIY-CYBMUJFWSA-N	0	3	319.355	2.583	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(C)s2)CC1	ZINC000172384159	198089239	/nfs/dbraw/zinc/08/92/39/198089239.db2.gz	OBHRXDMNYIWLQR-ZDUSSCGKSA-N	0	3	321.490	2.937	20	30		DFEDHN
CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000597603526	398667720	/nfs/dbraw/zinc/66/77/20/398667720.db2.gz	DCSQMKFWGKZZQR-CQSZACIVSA-N	0	3	305.809	2.768	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)nn1CC)C(C)C	ZINC000101684395	398674462	/nfs/dbraw/zinc/67/44/62/398674462.db2.gz	PLRBIFJQVXPZPS-KRWDZBQOSA-N	0	3	318.465	2.640	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2c(Cl)n(C)nc2C(C)C)CC1	ZINC000172908495	198166505	/nfs/dbraw/zinc/16/65/05/198166505.db2.gz	GUMRBXNUOWBJRU-UHFFFAOYSA-N	0	3	324.856	2.577	20	30		DFEDHN
CC(C)[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCS1	ZINC000072836398	191235972	/nfs/dbraw/zinc/23/59/72/191235972.db2.gz	UDNSXWIXBMKTLQ-INIZCTEOSA-N	0	3	317.458	2.960	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1	ZINC000593816741	398692472	/nfs/dbraw/zinc/69/24/72/398692472.db2.gz	PYBGUACIRSPGFL-GVDBMIGSSA-N	0	3	300.402	2.833	20	30		DFEDHN
CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1	ZINC000046054136	398694014	/nfs/dbraw/zinc/69/40/14/398694014.db2.gz	GGUJBQFAVSMCTO-UHFFFAOYSA-N	0	3	311.341	2.977	20	30		DFEDHN
CN(C(=O)c1cc(F)c(C#N)c(F)c1)C(C)(C)CN1CCCC1	ZINC000597783988	398695139	/nfs/dbraw/zinc/69/51/39/398695139.db2.gz	AARXRTXMTUCPPC-UHFFFAOYSA-N	0	3	321.371	2.783	20	30		DFEDHN
COC(=O)COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1	ZINC000174099884	198291325	/nfs/dbraw/zinc/29/13/25/198291325.db2.gz	YQAODROXDBZRPY-CQSZACIVSA-N	0	3	324.380	2.961	20	30		DFEDHN
CC(C)(CN1CCCC1)NC(=O)c1ccc(Cl)c(C#N)c1	ZINC000590888967	398696727	/nfs/dbraw/zinc/69/67/27/398696727.db2.gz	VENLIEVYSJGIFV-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
C[C@H](COCC1CC1)NC(=O)C(C#N)CCc1ccccc1	ZINC000593859140	398698602	/nfs/dbraw/zinc/69/86/02/398698602.db2.gz	PUGPRVNSRURCST-PBHICJAKSA-N	0	3	300.402	2.690	20	30		DFEDHN
COc1ccc(CNCCCN(C)CC(F)(F)F)cc1C#N	ZINC000174270923	198312999	/nfs/dbraw/zinc/31/29/99/198312999.db2.gz	WHQDJYGMNRPKKX-UHFFFAOYSA-N	0	3	315.339	2.541	20	30		DFEDHN
Cc1cc(NC(=O)CC2(C#N)CC2)ccc1OCCN(C)C	ZINC000590920461	398700910	/nfs/dbraw/zinc/70/09/10/398700910.db2.gz	SJSKRPFYYXNCEZ-UHFFFAOYSA-N	0	3	301.390	2.568	20	30		DFEDHN
COc1ccc(C[C@H](C)NCc2ccc(C#N)o2)cc1OC	ZINC000174367688	198325774	/nfs/dbraw/zinc/32/57/74/198325774.db2.gz	ANYQAISTFAZEOZ-LBPRGKRZSA-N	0	3	300.358	2.889	20	30		DFEDHN
CCc1ccc([C@H](CNC(=O)c2ccc(C#N)cn2)N(C)C)cc1	ZINC000107540931	398703216	/nfs/dbraw/zinc/70/32/16/398703216.db2.gz	ZAJNTXWSLLZUHF-SFHVURJKSA-N	0	3	322.412	2.548	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000590944260	398705925	/nfs/dbraw/zinc/70/59/25/398705925.db2.gz	QXGILSFHERYEFE-QAETUUGQSA-N	0	3	318.465	2.727	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C	ZINC000593982451	398714028	/nfs/dbraw/zinc/71/40/28/398714028.db2.gz	NBVNIONMTXJFSW-IIDMSEBBSA-N	0	3	313.445	2.535	20	30		DFEDHN
CC[C@@H](N[C@H](C)CCC#N)c1ccccc1OCC(=O)NC	ZINC000591024251	398717207	/nfs/dbraw/zinc/71/72/07/398717207.db2.gz	HQOOSDNMGWYKLQ-UKRRQHHQSA-N	0	3	303.406	2.544	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCSC[C@@H]2C2CC2)c1	ZINC000591039236	398718652	/nfs/dbraw/zinc/71/86/52/398718652.db2.gz	AKFPMSCUSJHKAH-MRXNPFEDSA-N	0	3	315.442	2.714	20	30		DFEDHN
N#Cc1cccc(NC(=O)CCN2CCSC[C@H]2C2CC2)c1	ZINC000591039235	398718775	/nfs/dbraw/zinc/71/87/75/398718775.db2.gz	AKFPMSCUSJHKAH-INIZCTEOSA-N	0	3	315.442	2.714	20	30		DFEDHN
Cc1csc(=O)n1CCNC1(c2ccc(C#N)cc2)CCC1	ZINC000594029543	398726052	/nfs/dbraw/zinc/72/60/52/398726052.db2.gz	DRJPRARYISWVGD-UHFFFAOYSA-N	0	3	313.426	2.759	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)NNc2cccc(F)c2F)CC1	ZINC000074129970	398726165	/nfs/dbraw/zinc/72/61/65/398726165.db2.gz	BJCMXJVPMGATBC-UHFFFAOYSA-N	0	3	324.375	2.631	20	30		DFEDHN
C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1	ZINC000594040943	398728630	/nfs/dbraw/zinc/72/86/30/398728630.db2.gz	HWKAPBVSFRVRAP-ABAIWWIYSA-N	0	3	321.371	2.888	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C3CCC3)C2)cc1	ZINC000591127078	398729646	/nfs/dbraw/zinc/72/96/46/398729646.db2.gz	ZUNZXNLXOACVGX-QZTJIDSGSA-N	0	3	307.397	2.889	20	30		DFEDHN
N#Cc1c(Br)cccc1N1CC[C@@H](N2CCCC2)C1	ZINC000168537380	283072051	/nfs/dbraw/zinc/07/20/51/283072051.db2.gz	DIFKZIKUQFLKQC-GFCCVEGCSA-N	0	3	320.234	2.995	20	30		DFEDHN
Cc1cc(N2CC[C@@]3(C2)CCCN(C)C3)c(C#N)cc1[N+](=O)[O-]	ZINC000591162371	398734035	/nfs/dbraw/zinc/73/40/35/398734035.db2.gz	VWSHEKNIFXZELA-KRWDZBQOSA-N	0	3	314.389	2.697	20	30		DFEDHN
C[C@H](CO)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000598019480	398738473	/nfs/dbraw/zinc/73/84/73/398738473.db2.gz	LZQQTXJULVUKCP-KBAYOESNSA-N	0	3	314.429	2.768	20	30		DFEDHN
CC[C@H](C#N)N(C)C(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000594091102	398741868	/nfs/dbraw/zinc/74/18/68/398741868.db2.gz	JQNOEBRHVPRWFL-IJLUTSLNSA-N	0	3	319.371	2.656	20	30		DFEDHN
CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1	ZINC000598042788	398742785	/nfs/dbraw/zinc/74/27/85/398742785.db2.gz	YEXYGHKVKMMMRZ-CRAIPNDOSA-N	0	3	313.445	2.680	20	30		DFEDHN
CCN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CCN(CC)C1	ZINC000598043791	398742633	/nfs/dbraw/zinc/74/26/33/398742633.db2.gz	VIUVGZVAWBFIGW-INIZCTEOSA-N	0	3	324.428	2.721	20	30		DFEDHN
C[C@@]12COC[C@]1(C)CN(C(=O)C(C#N)CCc1ccccc1)C2	ZINC000598068438	398746360	/nfs/dbraw/zinc/74/63/60/398746360.db2.gz	XUSLLTABUWWHGO-YTQUADARSA-N	0	3	312.413	2.644	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCN1CC	ZINC000074492304	398750005	/nfs/dbraw/zinc/75/00/05/398750005.db2.gz	HVEXKXGDUWBFFK-CQSZACIVSA-N	0	3	307.463	2.930	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCCN1C1CCCC1	ZINC000598089442	398752435	/nfs/dbraw/zinc/75/24/35/398752435.db2.gz	VSENWWSHWQDHRM-BHYGNILZSA-N	0	3	303.450	2.982	20	30		DFEDHN
Cc1cc(C)c2ncc(C#N)c(N3CCNC[C@](C)(F)C3)c2c1	ZINC000591442138	398761753	/nfs/dbraw/zinc/76/17/53/398761753.db2.gz	GBECUDZIDZUHPT-SFHVURJKSA-N	0	3	312.392	2.861	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCC34CCC4)C2=O)cc1	ZINC000282784414	283157860	/nfs/dbraw/zinc/15/78/60/283157860.db2.gz	PSCCBORJQRIYLD-IAGOWNOFSA-N	0	3	309.413	2.976	20	30		DFEDHN
CC(C#N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1	ZINC000598193943	398767103	/nfs/dbraw/zinc/76/71/03/398767103.db2.gz	HTGBLUXEELPESA-GXFFZTMASA-N	0	3	323.190	2.509	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1F	ZINC000591504351	398768358	/nfs/dbraw/zinc/76/83/58/398768358.db2.gz	UWUYIVCOZHKRGB-DGCLKSJQSA-N	0	3	302.271	2.633	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC[C@H](C)C1	ZINC000133837740	283163453	/nfs/dbraw/zinc/16/34/53/283163453.db2.gz	LMOLMLZJTZGUOY-STQMWFEESA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)N1CCC[C@@H](C)C1	ZINC000133837554	283163485	/nfs/dbraw/zinc/16/34/85/283163485.db2.gz	LMOLMLZJTZGUOY-OLZOCXBDSA-N	0	3	318.396	2.939	20	30		DFEDHN
C[C@@H](NC(=O)[C@@]1(C#N)CCNC1)c1cc(Cl)ccc1Cl	ZINC000591595294	398774445	/nfs/dbraw/zinc/77/44/45/398774445.db2.gz	XHIOPTXCOFIQHP-YMTOWFKASA-N	0	3	312.200	2.674	20	30		DFEDHN
N#C[C@]1(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCNC1	ZINC000591591455	398774479	/nfs/dbraw/zinc/77/44/79/398774479.db2.gz	DIJRCVQXIAMVCJ-LJQANCHMSA-N	0	3	303.365	2.700	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000594243245	398772979	/nfs/dbraw/zinc/77/29/79/398772979.db2.gz	METDJZVQRLPPFU-HUUCEWRRSA-N	0	3	306.454	2.632	20	30		DFEDHN
CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000594249775	398774868	/nfs/dbraw/zinc/77/48/68/398774868.db2.gz	OJUJOQFOADIEOU-CRAIPNDOSA-N	0	3	315.461	2.829	20	30		DFEDHN
CN(C)C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccccc1	ZINC000048216989	398777679	/nfs/dbraw/zinc/77/76/79/398777679.db2.gz	BOXJURNTSPJZIH-IBGZPJMESA-N	0	3	321.424	2.640	20	30		DFEDHN
CCN1CCC(N(C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1	ZINC000594272086	398777806	/nfs/dbraw/zinc/77/78/06/398777806.db2.gz	QTSXOCGQFNNCPX-OAHLLOKOSA-N	0	3	313.445	2.680	20	30		DFEDHN
C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000594292643	398779715	/nfs/dbraw/zinc/77/97/15/398779715.db2.gz	LWUMSMIZMHKRIG-MAUKXSAKSA-N	0	3	313.445	2.537	20	30		DFEDHN
C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CN(C)C	ZINC000594280518	398778232	/nfs/dbraw/zinc/77/82/32/398778232.db2.gz	MJIJKHVFQLPZKJ-QAPCUYQASA-N	0	3	313.445	2.680	20	30		DFEDHN
N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COc1ccccc1	ZINC000591763904	398785496	/nfs/dbraw/zinc/78/54/96/398785496.db2.gz	QIMCJQUMHWJFAA-VQIMIIECSA-N	0	3	308.381	2.575	20	30		DFEDHN
CCC(CC)Nc1ccncc1NC(=O)c1cc(C)c(C#N)cn1	ZINC000594361562	398787041	/nfs/dbraw/zinc/78/70/41/398787041.db2.gz	DBBAATRIEANAND-UHFFFAOYSA-N	0	3	323.400	2.931	20	30		DFEDHN
CC[C@@H]1CN2CCCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2	ZINC000591821059	398792055	/nfs/dbraw/zinc/79/20/55/398792055.db2.gz	IEVZGDMTSMWYNK-HZPDHXFCSA-N	0	3	310.445	2.895	20	30		DFEDHN
CCCn1c2ccccc2nc1NC(=O)[C@H](N)CCCCC#N	ZINC000594424344	398797006	/nfs/dbraw/zinc/79/70/06/398797006.db2.gz	AZVOYLCSHNPNTB-CYBMUJFWSA-N	0	3	313.405	2.796	20	30		DFEDHN
Cc1ccc(CCCNC(=O)[C@@H](N)CCCCC#N)c(C)c1	ZINC000594424654	398797764	/nfs/dbraw/zinc/79/77/64/398797764.db2.gz	CJRQHFKCSNKSIK-KRWDZBQOSA-N	0	3	301.434	2.764	20	30		DFEDHN
COc1ccc(CC[C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594426773	398797880	/nfs/dbraw/zinc/79/78/80/398797880.db2.gz	GXPSNZIYKSWHLT-YOEHRIQHSA-N	0	3	317.433	2.544	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F	ZINC000594425746	398797896	/nfs/dbraw/zinc/79/78/96/398797896.db2.gz	BQNGRIWBMNBKQQ-CHWSQXEVSA-N	0	3	313.323	2.817	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000594424586	398797919	/nfs/dbraw/zinc/79/79/19/398797919.db2.gz	GISOYZUFYSWTOQ-LBPRGKRZSA-N	0	3	315.295	2.935	20	30		DFEDHN
CC(C)Oc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1	ZINC000594427868	398798883	/nfs/dbraw/zinc/79/88/83/398798883.db2.gz	LHCSDWNIPSPIKJ-INIZCTEOSA-N	0	3	303.406	2.501	20	30		DFEDHN
Cc1ccccc1OCCCN(C)C(=O)[C@H](N)CCCCC#N	ZINC000594427197	398799004	/nfs/dbraw/zinc/79/90/04/398799004.db2.gz	HUFIQTFMNLFICL-MRXNPFEDSA-N	0	3	317.433	2.634	20	30		DFEDHN
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](N)CCCCC#N	ZINC000594429538	398799530	/nfs/dbraw/zinc/79/95/30/398799530.db2.gz	REVKKZSOIYMJGG-NHYWBVRUSA-N	0	3	309.360	2.895	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC1CC1	ZINC000594433025	398800389	/nfs/dbraw/zinc/80/03/89/398800389.db2.gz	JODFTHQJSZQLFM-CQSZACIVSA-N	0	3	319.380	2.964	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCOc2ccc(F)cc21	ZINC000594431871	398800436	/nfs/dbraw/zinc/80/04/36/398800436.db2.gz	RLWXUKKRSHPTTN-LSDHHAIUSA-N	0	3	319.380	2.567	20	30		DFEDHN
CO[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1	ZINC000594433304	398800511	/nfs/dbraw/zinc/80/05/11/398800511.db2.gz	NNBSTXRESUCACB-LSDHHAIUSA-N	0	3	323.824	2.555	20	30		DFEDHN
CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)Oc1cccc(F)c1	ZINC000594434438	398801280	/nfs/dbraw/zinc/80/12/80/398801280.db2.gz	ZHTYHOHNLWCVOD-GOEBONIOSA-N	0	3	321.396	2.511	20	30		DFEDHN
CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C12CCCC2	ZINC000594434374	398801389	/nfs/dbraw/zinc/80/13/89/398801389.db2.gz	YLOPLCGNGFTKBQ-ARFHVFGLSA-N	0	3	321.465	2.594	20	30		DFEDHN
CCCCCn1nc(C)cc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594433913	398801733	/nfs/dbraw/zinc/80/17/33/398801733.db2.gz	UUEYQKLZCYVPJU-AWEZNQCLSA-N	0	3	305.426	2.732	20	30		DFEDHN
Cc1nc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)sc1C	ZINC000594437945	398802144	/nfs/dbraw/zinc/80/21/44/398802144.db2.gz	GATSWYJEUQZSKF-LBPRGKRZSA-N	0	3	308.451	2.523	20	30		DFEDHN
CC(C)(C)c1csc(CCNC(=O)[C@H](N)CCCCC#N)n1	ZINC000594436658	398802586	/nfs/dbraw/zinc/80/25/86/398802586.db2.gz	FFTWMMQYMOQRRM-GFCCVEGCSA-N	0	3	322.478	2.511	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(SC)cc2)CC1	ZINC000050030161	398803158	/nfs/dbraw/zinc/80/31/58/398803158.db2.gz	CPFZYFPJGFVUFS-AWEZNQCLSA-N	0	3	316.470	2.931	20	30		DFEDHN
CCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)s1	ZINC000594440044	398803380	/nfs/dbraw/zinc/80/33/80/398803380.db2.gz	YPXNVEUFBLYPLY-STQMWFEESA-N	0	3	322.478	2.945	20	30		DFEDHN
C[C@@]1(CNC(=O)[C@H](N)CCCCC#N)CCCc2ccccc21	ZINC000594444168	398804240	/nfs/dbraw/zinc/80/42/40/398804240.db2.gz	YQGZUCZWERRGNX-MJGOQNOKSA-N	0	3	313.445	2.808	20	30		DFEDHN
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCCC#N	ZINC000594445566	398804639	/nfs/dbraw/zinc/80/46/39/398804639.db2.gz	HVHZAIVNCMJWEJ-IRXDYDNUSA-N	0	3	319.424	2.920	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccccc1OCC(F)F	ZINC000594445153	398804685	/nfs/dbraw/zinc/80/46/85/398804685.db2.gz	AVLNVEQDNRLAGH-LLVKDONJSA-N	0	3	311.332	2.680	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)Nc1ccc(OCC2CC2)cc1	ZINC000594446064	398804691	/nfs/dbraw/zinc/80/46/91/398804691.db2.gz	PLAGHYOAOROPJK-MRXNPFEDSA-N	0	3	301.390	2.825	20	30		DFEDHN
C[C@@H]1c2c(F)cccc2CCN1C(=O)[C@@H](N)CCCCC#N	ZINC000594444008	398803856	/nfs/dbraw/zinc/80/38/56/398803856.db2.gz	JBTNQVTUPJYCHR-DOMZBBRYSA-N	0	3	303.381	2.683	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000594445670	398804925	/nfs/dbraw/zinc/80/49/25/398804925.db2.gz	JTYYJHWFGKUPGN-UPJWGTAASA-N	0	3	319.371	2.883	20	30		DFEDHN
Cc1ccccc1-n1nccc1NC(=O)[C@@H](N)CCCCC#N	ZINC000594446921	398804928	/nfs/dbraw/zinc/80/49/28/398804928.db2.gz	ZJSYLNGREHYVED-AWEZNQCLSA-N	0	3	311.389	2.531	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2F)CCC1	ZINC000594449294	398805389	/nfs/dbraw/zinc/80/53/89/398805389.db2.gz	FRDJGRFQYHHFRK-OAHLLOKOSA-N	0	3	303.381	2.732	20	30		DFEDHN
CC(C)(C)c1nc(CCNC(=O)[C@@H](N)CCCCC#N)cs1	ZINC000594447539	398805424	/nfs/dbraw/zinc/80/54/24/398805424.db2.gz	YGGOIJYJGULKJZ-ZDUSSCGKSA-N	0	3	322.478	2.511	20	30		DFEDHN
Cc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F)o1	ZINC000594452961	398805725	/nfs/dbraw/zinc/80/57/25/398805725.db2.gz	YHDOXKAJKDWEHB-ZYHUDNBSSA-N	0	3	317.311	2.719	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(Cc1c(F)cccc1F)C1CC1	ZINC000594446765	398804857	/nfs/dbraw/zinc/80/48/57/398804857.db2.gz	SBWGCOPVNKQIBT-MRXNPFEDSA-N	0	3	321.371	2.867	20	30		DFEDHN
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@H](N)CCCCC#N	ZINC000594469377	398807009	/nfs/dbraw/zinc/80/70/09/398807009.db2.gz	VVZCHFAMUYIQEU-CQSZACIVSA-N	0	3	311.389	2.735	20	30		DFEDHN
Cn1c(NC(=O)[C@H](N)CCCCC#N)nc2cccc(Cl)c21	ZINC000594467857	398807046	/nfs/dbraw/zinc/80/70/46/398807046.db2.gz	HMUVHBLCDACVEZ-LLVKDONJSA-N	0	3	319.796	2.576	20	30		DFEDHN
Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)c(=O)n1C	ZINC000594504985	398811632	/nfs/dbraw/zinc/81/16/32/398811632.db2.gz	WRFDIYPWTFIDSZ-UHFFFAOYSA-N	0	3	309.413	2.785	20	30		DFEDHN
CCC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1	ZINC000051451774	398822640	/nfs/dbraw/zinc/82/26/40/398822640.db2.gz	ZPQYRRLKMNLRDL-QGZVFWFLSA-N	0	3	302.418	2.614	20	30		DFEDHN
N#Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-]	ZINC000594602749	398828962	/nfs/dbraw/zinc/82/89/62/398828962.db2.gz	SECLBQTVBIKWIU-LSDHHAIUSA-N	0	3	300.362	2.895	20	30		DFEDHN
C=CCOc1cccc(CN2CCC(C(=O)NCCC)CC2)c1	ZINC000179919217	199094473	/nfs/dbraw/zinc/09/44/73/199094473.db2.gz	WCZPJTPSTSWURX-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C[C@H](O)[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccccc1	ZINC000598540982	398829581	/nfs/dbraw/zinc/82/95/81/398829581.db2.gz	VDRJCSUNIQWRIN-IPELMVKDSA-N	0	3	322.408	2.997	20	30		DFEDHN
C[C@@]1(C(F)F)CN(C(=O)C(C#N)CCc2ccccc2)CCO1	ZINC000598571377	398833295	/nfs/dbraw/zinc/83/32/95/398833295.db2.gz	GUTLTAQFODQQII-YOEHRIQHSA-N	0	3	322.355	2.642	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@@H](CO)CCOC)cc1	ZINC000281711694	334987641	/nfs/dbraw/zinc/98/76/41/334987641.db2.gz	TZSIHMBENKXYMF-DZGCQCFKSA-N	0	3	313.825	2.866	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN1CC=C(c2ccc(O)cc2)CC1	ZINC000598586903	398836843	/nfs/dbraw/zinc/83/68/43/398836843.db2.gz	KRDNHAVBYVNPOQ-KRWDZBQOSA-N	0	3	300.402	2.782	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000598591257	398837200	/nfs/dbraw/zinc/83/72/00/398837200.db2.gz	XPNOTTJZWPXEOP-HUUCEWRRSA-N	0	3	316.401	2.853	20	30		DFEDHN
COc1ccc(OC)c([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598599562	398839178	/nfs/dbraw/zinc/83/91/78/398839178.db2.gz	JVGOEAJEJFIZHX-STQMWFEESA-N	0	3	306.406	2.655	20	30		DFEDHN
C#CCNC(=O)[C@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000180073080	199115170	/nfs/dbraw/zinc/11/51/70/199115170.db2.gz	FWZRVUNIDJZOKO-NHYWBVRUSA-N	0	3	324.346	2.884	20	30		DFEDHN
CC(=O)Nc1cccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c1	ZINC000598603738	398839724	/nfs/dbraw/zinc/83/97/24/398839724.db2.gz	ZROLKMDJTKEPLP-LRDDRELGSA-N	0	3	303.406	2.596	20	30		DFEDHN
CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1	ZINC000598601349	398839002	/nfs/dbraw/zinc/83/90/02/398839002.db2.gz	JKAJMWFCZWZKIG-LSDHHAIUSA-N	0	3	305.378	2.936	20	30		DFEDHN
C=CCN1CCC(NC(=O)Cc2c(C)cc(C)cc2C)CC1	ZINC000180064712	199113909	/nfs/dbraw/zinc/11/39/09/199113909.db2.gz	CVYICQSTZVVFHO-UHFFFAOYSA-N	0	3	300.446	2.921	20	30		DFEDHN
CCOc1ccc([C@H](COC)NC[C@H](O)CC(C)(C)C#N)cc1	ZINC000598616761	398841777	/nfs/dbraw/zinc/84/17/77/398841777.db2.gz	WPQZUOVNKBAENX-WBVHZDCISA-N	0	3	320.433	2.663	20	30		DFEDHN
CC(C)(C#N)C[C@@H](O)CN1CCC(F)(c2ccccn2)CC1	ZINC000598616349	398841866	/nfs/dbraw/zinc/84/18/66/398841866.db2.gz	VGJJDAWVTKXQQE-CQSZACIVSA-N	0	3	305.397	2.643	20	30		DFEDHN
CC(C)(C#N)CCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21	ZINC000598643394	398846009	/nfs/dbraw/zinc/84/60/09/398846009.db2.gz	NVJMMLRYLFNVMF-MRXNPFEDSA-N	0	3	320.458	2.966	20	30		DFEDHN
COc1cccc([C@@]2(C)CCN(C[C@H](O)CC(C)(C)C#N)C2)c1	ZINC000598628669	398843420	/nfs/dbraw/zinc/84/34/20/398843420.db2.gz	XYENXKVWLNFCTM-APWZRJJASA-N	0	3	316.445	2.959	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CNCc1ccnc(OC2CCCC2)c1	ZINC000598714915	398859862	/nfs/dbraw/zinc/85/98/62/398859862.db2.gz	KLFFXYSWJNNBAG-HNNXBMFYSA-N	0	3	317.433	2.793	20	30		DFEDHN
CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000598721483	398861768	/nfs/dbraw/zinc/86/17/68/398861768.db2.gz	WFIMGTVFOUBODS-BBWFWOEESA-N	0	3	320.408	2.936	20	30		DFEDHN
N#Cc1csc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)c1	ZINC000134554755	398865628	/nfs/dbraw/zinc/86/56/28/398865628.db2.gz	IQALZSFVULVCPR-AWEZNQCLSA-N	0	3	303.431	2.500	20	30		DFEDHN
CCN(CCC#N)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)C	ZINC000076713514	398867218	/nfs/dbraw/zinc/86/72/18/398867218.db2.gz	JQOTYCWNUQQPEB-QGZVFWFLSA-N	0	3	305.397	2.875	20	30		DFEDHN
N#CC1(c2ccc(CNCCNC(=O)c3ccccc3)cc2)CC1	ZINC000594917087	398870476	/nfs/dbraw/zinc/87/04/76/398870476.db2.gz	HKBICROXESKBTC-UHFFFAOYSA-N	0	3	319.408	2.761	20	30		DFEDHN
N#CC1(c2ccc(CN[C@H]3c4ccccc4C[C@H]3O)cc2)CC1	ZINC000594923468	398872203	/nfs/dbraw/zinc/87/22/03/398872203.db2.gz	HGIPUPQEFTXMNP-MOPGFXCFSA-N	0	3	304.393	2.990	20	30		DFEDHN
CC(C)(C)N1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1=O	ZINC000594950712	398879616	/nfs/dbraw/zinc/87/96/16/398879616.db2.gz	PFQSHZPTGUYYMO-INIZCTEOSA-N	0	3	311.429	2.731	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@H]3C[C@H](Oc4ccccc4)C3)n2c1	ZINC000594972741	398884840	/nfs/dbraw/zinc/88/48/40/398884840.db2.gz	IXLFPANDYUQSIN-RZDIXWSQSA-N	0	3	318.380	2.906	20	30		DFEDHN
C=CCCSCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000594960005	398882011	/nfs/dbraw/zinc/88/20/11/398882011.db2.gz	HSMFPJGWQSJKGP-UHFFFAOYSA-N	0	3	324.402	2.765	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN(Cc2ccccn2)C2CC2)cc1	ZINC000180871090	199221143	/nfs/dbraw/zinc/22/11/43/199221143.db2.gz	CCONYDDFIMFMCA-UHFFFAOYSA-N	0	3	320.396	2.946	20	30		DFEDHN
CO[C@@]1(C)C[C@H]1NCc1cn(CCC#N)nc1-c1ccccc1	ZINC000594995494	398888505	/nfs/dbraw/zinc/88/85/05/398888505.db2.gz	MJTTUCDQHXRCGL-AEFFLSMTSA-N	0	3	310.401	2.731	20	30		DFEDHN
CC1CCC2(CC1)OC[C@H](CNCc1ccc(C#N)cc1)O2	ZINC000181088564	199251050	/nfs/dbraw/zinc/25/10/50/199251050.db2.gz	FMEKTZVKZZCUHY-GMXGEUMGSA-N	0	3	300.402	2.970	20	30		DFEDHN
COc1cc(C#N)ccc1OCCN1CCCO[C@H]2CCC[C@@H]21	ZINC000077316997	398898121	/nfs/dbraw/zinc/89/81/21/398898121.db2.gz	YMEHSPPIZHCIGG-HOTGVXAUSA-N	0	3	316.401	2.589	20	30		DFEDHN
COC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CCOCC1	ZINC000595069106	398902127	/nfs/dbraw/zinc/90/21/27/398902127.db2.gz	MASSARMNTRFJSN-SJKOYZFVSA-N	0	3	306.381	2.790	20	30		DFEDHN
C=CCCOCC(=O)NCc1ccccc1CN1CCCCC1	ZINC000143584191	398902807	/nfs/dbraw/zinc/90/28/07/398902807.db2.gz	FNAUZXPNXLOJEY-UHFFFAOYSA-N	0	3	316.445	2.881	20	30		DFEDHN
N#CC1(c2ccc(CN[C@@H]3CCO[C@H]3c3cc[nH]n3)cc2)CC1	ZINC000598984348	398902921	/nfs/dbraw/zinc/90/29/21/398902921.db2.gz	NRFCSRHQYJZDCX-NVXWUHKLSA-N	0	3	308.385	2.585	20	30		DFEDHN
C[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C#N)c(F)c1	ZINC000595102133	398905447	/nfs/dbraw/zinc/90/54/47/398905447.db2.gz	KBRYQXVYZAJVFU-SCLBCKFNSA-N	0	3	320.408	2.916	20	30		DFEDHN
C=CCOc1ccccc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1	ZINC000077458199	398904848	/nfs/dbraw/zinc/90/48/48/398904848.db2.gz	RUFQNEJUXIPHOS-HOTGVXAUSA-N	0	3	323.458	2.697	20	30		DFEDHN
CCc1nn(C)cc1CNC1(c2ccc(C#N)cc2)CCOCC1	ZINC000599002290	398906335	/nfs/dbraw/zinc/90/63/35/398906335.db2.gz	IWHRJWLMSODNEW-UHFFFAOYSA-N	0	3	324.428	2.650	20	30		DFEDHN
N#CC(C(=O)c1ccc(F)c(F)c1)c1nnc2n1CCCCC2	ZINC000054726671	398907934	/nfs/dbraw/zinc/90/79/34/398907934.db2.gz	KVYZTGFOAVJROM-LLVKDONJSA-N	0	3	316.311	2.773	20	30		DFEDHN
CN(C[C@H](O)c1ccc(C#N)cc1)CC1(O)CCCCCC1	ZINC000187339067	200098148	/nfs/dbraw/zinc/09/81/48/200098148.db2.gz	MGNDUSSXMJSPFA-KRWDZBQOSA-N	0	3	302.418	2.609	20	30		DFEDHN
N#CC1(C(=O)N2CC[C@H](c3cccc(F)c3)[C@H](N)C2)CCCC1	ZINC000595225206	398911174	/nfs/dbraw/zinc/91/11/74/398911174.db2.gz	KBNHMANVSCOSCF-HZPDHXFCSA-N	0	3	315.392	2.553	20	30		DFEDHN
CCO[C@H]1C[C@@H](O)C12CCN([C@@H](C)c1cccc(C#N)c1)CC2	ZINC000187700205	200147006	/nfs/dbraw/zinc/14/70/06/200147006.db2.gz	ACTWXTFGLIFAMR-QGTPRVQTSA-N	0	3	314.429	2.871	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC(n3c(C)ccc3C)CC2)C1=O	ZINC000282031512	334988811	/nfs/dbraw/zinc/98/88/11/334988811.db2.gz	QCPMMSFNQDEZAX-KRWDZBQOSA-N	0	3	301.434	2.529	20	30		DFEDHN
CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCN1C1CCCC1	ZINC000599059861	398915263	/nfs/dbraw/zinc/91/52/63/398915263.db2.gz	OHULDCZBGQFUPD-HNNXBMFYSA-N	0	3	306.454	2.632	20	30		DFEDHN
CC(C)N(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000595291027	398916577	/nfs/dbraw/zinc/91/65/77/398916577.db2.gz	PQRPGLQKUJSALW-UHFFFAOYSA-N	0	3	313.445	2.680	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)[C@H]1CCOC1	ZINC000595297144	398918466	/nfs/dbraw/zinc/91/84/66/398918466.db2.gz	PRRWMUIYQLRXGG-ZWKOTPCHSA-N	0	3	300.402	2.598	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCC(CN2CCOCC2)CC1	ZINC000188185598	200205705	/nfs/dbraw/zinc/20/57/05/200205705.db2.gz	IDXTUWJYFUHKQI-MRXNPFEDSA-N	0	3	313.445	2.663	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)[C@H]1CCOC1	ZINC000595297140	398919061	/nfs/dbraw/zinc/91/90/61/398919061.db2.gz	PRRWMUIYQLRXGG-ROUUACIJSA-N	0	3	300.402	2.598	20	30		DFEDHN
C[C@@H]1CC[C@@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1	ZINC000188576297	200270163	/nfs/dbraw/zinc/27/01/63/200270163.db2.gz	WGTLVUOJXRXDJJ-KDOFPFPSSA-N	0	3	300.402	2.969	20	30		DFEDHN
CCC1(N2CCOCC2)CCN(c2ccc(C#N)cc2F)CC1	ZINC000599183335	398936373	/nfs/dbraw/zinc/93/63/73/398936373.db2.gz	JEUHQFYZFHBRGV-UHFFFAOYSA-N	0	3	317.408	2.779	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)N1CCCC[C@H]1C	ZINC000595448367	398940627	/nfs/dbraw/zinc/94/06/27/398940627.db2.gz	JNPBVJHDRJKFTP-OWCLPIDISA-N	0	3	306.454	2.585	20	30		DFEDHN
C[C@H](c1ccccc1F)N(C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599263341	398943935	/nfs/dbraw/zinc/94/39/35/398943935.db2.gz	GICQQGGORFTMNA-HUUCEWRRSA-N	0	3	320.408	2.890	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)CC1	ZINC000599260788	398943967	/nfs/dbraw/zinc/94/39/67/398943967.db2.gz	FMXUFMSWTJESLO-GJZGRUSLSA-N	0	3	320.458	2.784	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)CC1	ZINC000599260790	398944250	/nfs/dbraw/zinc/94/42/50/398944250.db2.gz	FMXUFMSWTJESLO-LSDHHAIUSA-N	0	3	320.458	2.784	20	30		DFEDHN
N#CC1(C[C@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)CC1	ZINC000599270190	398945649	/nfs/dbraw/zinc/94/56/49/398945649.db2.gz	BXYQOMZICPNUHW-ROUUACIJSA-N	0	3	314.429	2.722	20	30		DFEDHN
CCO[C@H](CN(CCOC)Cc1ccc(C#N)cc1)C1CC1	ZINC000599271368	398946027	/nfs/dbraw/zinc/94/60/27/398946027.db2.gz	KLHPPABQZAVSQW-GOSISDBHSA-N	0	3	302.418	2.822	20	30		DFEDHN
C[C@@H]1C[C@@]2(CCO1)CN(CCc1ccc(C#N)cc1)C[C@H](C)O2	ZINC000595476589	398946612	/nfs/dbraw/zinc/94/66/12/398946612.db2.gz	SCFWUDLPMUVMLO-GJYPPUQNSA-N	0	3	314.429	2.759	20	30		DFEDHN
N#Cc1ccc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000595501102	398951269	/nfs/dbraw/zinc/95/12/69/398951269.db2.gz	HJFXRAXVRIVAKX-GOSISDBHSA-N	0	3	318.380	2.521	20	30		DFEDHN
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cc1OC	ZINC000271973382	209350783	/nfs/dbraw/zinc/35/07/83/209350783.db2.gz	CPRJJXMLKKDZRD-YJBOKZPZSA-N	0	3	316.401	2.778	20	30		DFEDHN
CCOc1cccc(CN(CCO)CCc2ccc(C#N)cc2)c1	ZINC000595521623	398955908	/nfs/dbraw/zinc/95/59/08/398955908.db2.gz	FZYDOKZVJCVZLS-UHFFFAOYSA-N	0	3	324.424	2.994	20	30		DFEDHN
COc1ccncc1CNC1CCN(c2ccc(C#N)cc2)CC1	ZINC000292531099	223129280	/nfs/dbraw/zinc/12/92/80/223129280.db2.gz	FNGNIBQRYIWURE-UHFFFAOYSA-N	0	3	322.412	2.720	20	30		DFEDHN
C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N1CCC(C)CC1	ZINC000595545915	398964232	/nfs/dbraw/zinc/96/42/32/398964232.db2.gz	BABAALJMVHSSPJ-MRXNPFEDSA-N	0	3	320.481	2.880	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1	ZINC000595547389	398964449	/nfs/dbraw/zinc/96/44/49/398964449.db2.gz	UANAJTRIOQKVDO-HUUCEWRRSA-N	0	3	313.511	2.715	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1	ZINC000595547387	398964472	/nfs/dbraw/zinc/96/44/72/398964472.db2.gz	UANAJTRIOQKVDO-CABCVRRESA-N	0	3	313.511	2.715	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N(C)CCc1nnn(C(C)(C)C)n1	ZINC000595549168	398966206	/nfs/dbraw/zinc/96/62/06/398966206.db2.gz	IDSOCTZFEQJRAY-CYBMUJFWSA-N	0	3	312.421	2.535	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C	ZINC000281413265	216282425	/nfs/dbraw/zinc/28/24/25/216282425.db2.gz	XIQXAZNWJILSFX-SJCJKPOMSA-N	0	3	311.385	2.881	20	30		DFEDHN
CCOC(=O)c1[nH]c(C)c(CN2CCC(CC#N)CC2)c1C	ZINC000600147471	398971467	/nfs/dbraw/zinc/97/14/67/398971467.db2.gz	OFTOQPVIUNJSOT-UHFFFAOYSA-N	0	3	303.406	2.934	20	30		DFEDHN
Cc1ccc(CN2CCN(C3CCOCC3)C[C@H]2C)cc1C#N	ZINC000599395188	398972814	/nfs/dbraw/zinc/97/28/14/398972814.db2.gz	COSWPPGCZBUFDD-MRXNPFEDSA-N	0	3	313.445	2.552	20	30		DFEDHN
CC(C)(C)c1ccc(C#N)c(N2CCN(c3ccncc3)CC2)n1	ZINC000613411312	398974934	/nfs/dbraw/zinc/97/49/34/398974934.db2.gz	NYFDZXAJIQYKES-UHFFFAOYSA-N	0	3	321.428	2.972	20	30		DFEDHN
C#CCN(CC)C(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000056554688	398979082	/nfs/dbraw/zinc/97/90/82/398979082.db2.gz	DXTDFZOMPWVOCX-CQSZACIVSA-N	0	3	305.447	2.550	20	30		DFEDHN
Cc1ccccc1CCN(C)C[C@H](O)COc1ccccc1C#N	ZINC000599431797	398981094	/nfs/dbraw/zinc/98/10/94/398981094.db2.gz	FYWKTCSJIRDCET-IBGZPJMESA-N	0	3	324.424	2.781	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CCCOC1	ZINC000600164575	398981624	/nfs/dbraw/zinc/98/16/24/398981624.db2.gz	IAPLRICGGHOFQT-IRXDYDNUSA-N	0	3	300.402	2.692	20	30		DFEDHN
COCCN(Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1	ZINC000195001190	201325476	/nfs/dbraw/zinc/32/54/76/201325476.db2.gz	YJFWBCWBNWLWFD-HXUWFJFHSA-N	0	3	324.424	2.610	20	30		DFEDHN
N#Cc1c2c(sc1NC(=O)C1CCN(C3CC3)CC1)CCC2	ZINC000195269008	201369528	/nfs/dbraw/zinc/36/95/28/201369528.db2.gz	UNLBNSBUMHPBKL-UHFFFAOYSA-N	0	3	315.442	2.921	20	30		DFEDHN
N#CC[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1	ZINC000595611543	398998464	/nfs/dbraw/zinc/99/84/64/398998464.db2.gz	KOTZEEMRQJYYSY-AWEZNQCLSA-N	0	3	319.836	2.972	20	30		DFEDHN
N#CC[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1	ZINC000595609372	398996954	/nfs/dbraw/zinc/99/69/54/398996954.db2.gz	IZVGSNDTOBYOSH-GFCCVEGCSA-N	0	3	302.403	2.574	20	30		DFEDHN
Cc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c(C)c1	ZINC000595610436	398997056	/nfs/dbraw/zinc/99/70/56/398997056.db2.gz	YPMZBFFOARLJDW-DLBZAZTESA-N	0	3	302.418	2.669	20	30		DFEDHN
C=CC[C@@H]1CCN(CC(=O)NC(=O)Nc2cccc(C)c2C)C1	ZINC000599526725	399002711	/nfs/dbraw/zinc/00/27/11/399002711.db2.gz	QMHQNVZNPZDQTE-OAHLLOKOSA-N	0	3	315.417	2.850	20	30		DFEDHN
COc1ccc(NC(=O)CCN2CCC[C@H](CC#N)C2)cc1	ZINC000595621899	399006646	/nfs/dbraw/zinc/00/66/46/399006646.db2.gz	ZISQTUNIKADIOS-CQSZACIVSA-N	0	3	301.390	2.649	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1	ZINC000595623665	399007695	/nfs/dbraw/zinc/00/76/95/399007695.db2.gz	WPIAIBPXSHZCLQ-IAGOWNOFSA-N	0	3	311.429	2.774	20	30		DFEDHN
N#CC[C@H]1CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1	ZINC000595623667	399007962	/nfs/dbraw/zinc/00/79/62/399007962.db2.gz	WPIAIBPXSHZCLQ-SJORKVTESA-N	0	3	311.429	2.774	20	30		DFEDHN
N#CC[C@H]1CCCN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000595623651	399008073	/nfs/dbraw/zinc/00/80/73/399008073.db2.gz	WHCUROBQHPTBIO-QGZVFWFLSA-N	0	3	313.445	2.644	20	30		DFEDHN
CC(C)(NC[C@@H](O)COCc1ccccc1)c1cccc(C#N)c1	ZINC000595635413	399011931	/nfs/dbraw/zinc/01/19/31/399011931.db2.gz	KHCIXSLHFDNVPG-LJQANCHMSA-N	0	3	324.424	2.961	20	30		DFEDHN
CC(C)S(=O)(=O)CCCNC(C)(C)c1cccc(C#N)c1	ZINC000595636641	399013460	/nfs/dbraw/zinc/01/34/60/399013460.db2.gz	UEGITXWRBFUTSK-UHFFFAOYSA-N	0	3	308.447	2.596	20	30		DFEDHN
CS[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@H]1N1CCCC1	ZINC000275434502	212329904	/nfs/dbraw/zinc/32/99/04/212329904.db2.gz	JFYRGWYXEVBTBU-JKSUJKDBSA-N	0	3	305.422	2.713	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2)C1	ZINC000595660453	399025262	/nfs/dbraw/zinc/02/52/62/399025262.db2.gz	QXTNUOWQAZBMED-CQSZACIVSA-N	0	3	301.390	2.623	20	30		DFEDHN
COc1ccc(C#N)cc1CN[C@]1(CO)CCCC(C)(C)C1	ZINC000599594839	399026100	/nfs/dbraw/zinc/02/61/00/399026100.db2.gz	MBIUUAKYTQHPNN-GOSISDBHSA-N	0	3	302.418	2.988	20	30		DFEDHN
CCN(CC)[C@@H](CNC(=O)N(C)C[C@H](C)C#N)c1ccsc1	ZINC000079251069	399028086	/nfs/dbraw/zinc/02/80/86/399028086.db2.gz	KSQAPLJLNJGOGC-HIFRSBDPSA-N	0	3	322.478	2.932	20	30		DFEDHN
C[C@@H](C#N)CN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1	ZINC000079310835	399033868	/nfs/dbraw/zinc/03/38/68/399033868.db2.gz	DTIVDXBILTUEKN-RDJZCZTQSA-N	0	3	314.433	2.625	20	30		DFEDHN
CCO[C@H]1C[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C12CCC2	ZINC000092040839	193146296	/nfs/dbraw/zinc/14/62/96/193146296.db2.gz	FTDUNLIAUXJPCI-IRXDYDNUSA-N	0	3	324.428	2.985	20	30		DFEDHN
CC(C)(C)C(=O)N1CCC(CN[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000595695086	399039018	/nfs/dbraw/zinc/03/90/18/399039018.db2.gz	SHNUXPBKOMVBNS-HZPDHXFCSA-N	0	3	305.466	2.943	20	30		DFEDHN
C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CCCCC1	ZINC000057434511	399044256	/nfs/dbraw/zinc/04/42/56/399044256.db2.gz	MTXBVOGXLIJFAG-BZUAXINKSA-N	0	3	305.466	2.943	20	30		DFEDHN
CC(C)(C)OC(=O)CCC1CCN(CCOCCC#N)CC1	ZINC000595719772	399052915	/nfs/dbraw/zinc/05/29/15/399052915.db2.gz	ZPKVKYZURCFGIY-UHFFFAOYSA-N	0	3	310.438	2.751	20	30		DFEDHN
C=CCCSCCNC(=O)N[C@H](C)CN1CCC(C)CC1	ZINC000595722938	399053970	/nfs/dbraw/zinc/05/39/70/399053970.db2.gz	KBGYNGUGTYBDFP-OAHLLOKOSA-N	0	3	313.511	2.715	20	30		DFEDHN
CC(C)(C#N)c1ccccc1CN1CCN(CCCF)CC1	ZINC000599672762	399054879	/nfs/dbraw/zinc/05/48/79/399054879.db2.gz	UXJBLMLWCYCLQQ-UHFFFAOYSA-N	0	3	303.425	2.965	20	30		DFEDHN
CN(C(=O)CN1CCCC2(CC2)CC1)C1(C#N)CCCCC1	ZINC000599673532	399055231	/nfs/dbraw/zinc/05/52/31/399055231.db2.gz	SIFDUCCBTGIGHY-UHFFFAOYSA-N	0	3	303.450	2.937	20	30		DFEDHN
N#CC1(CC(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1	ZINC000600471220	399058447	/nfs/dbraw/zinc/05/84/47/399058447.db2.gz	QVJBYIJSEGSTFV-MRXNPFEDSA-N	0	3	303.450	2.984	20	30		DFEDHN
C#CCCN[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1	ZINC000271783528	209211070	/nfs/dbraw/zinc/21/10/70/209211070.db2.gz	IGFZMXDMBVTMGS-OAHLLOKOSA-N	0	3	303.425	2.642	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1OC	ZINC000621738553	399059044	/nfs/dbraw/zinc/05/90/44/399059044.db2.gz	JMSKGYVRRFOGEK-GDBMZVCRSA-N	0	3	305.418	2.710	20	30		DFEDHN
C[C@H](NCCn1cc(Br)cn1)c1cccc(C#N)c1	ZINC000271766904	209196219	/nfs/dbraw/zinc/19/62/19/209196219.db2.gz	CCNXFXOEICXMHL-NSHDSACASA-N	0	3	319.206	2.868	20	30		DFEDHN
C#CCN1CCC(C(=O)NCC2CC(c3ccccc3)C2)CC1	ZINC000282780145	334998479	/nfs/dbraw/zinc/99/84/79/334998479.db2.gz	XPAPZLMRURAAME-UHFFFAOYSA-N	0	3	310.441	2.642	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCC(=O)NC23CCC3)c1	ZINC000282637947	334998677	/nfs/dbraw/zinc/99/86/77/334998677.db2.gz	GVDCDPNETOOGJG-MRXNPFEDSA-N	0	3	300.402	2.542	20	30		DFEDHN
CC(C)COCCNC1(c2cccc(C#N)c2)CCOCC1	ZINC000595770235	399077933	/nfs/dbraw/zinc/07/79/33/399077933.db2.gz	WJTBCGPHCRUZBZ-UHFFFAOYSA-N	0	3	302.418	2.826	20	30		DFEDHN
C[C@@H]1CC[C@@H](CNC2(c3cccc(C#N)c3)CCOCC2)O1	ZINC000595770262	399078018	/nfs/dbraw/zinc/07/80/18/399078018.db2.gz	XCZKJGPZDUFZEC-PBHICJAKSA-N	0	3	300.402	2.721	20	30		DFEDHN
CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N	ZINC000275247897	212223240	/nfs/dbraw/zinc/22/32/40/212223240.db2.gz	PTSIWUJZKZOAHW-UKRRQHHQSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(F)cc(C#N)cc1F	ZINC000288187085	220006943	/nfs/dbraw/zinc/00/69/43/220006943.db2.gz	BVQZYIAARMQTSR-WCQYABFASA-N	0	3	319.355	2.535	20	30		DFEDHN
N#Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(OC(F)F)c1	ZINC000595781496	399082992	/nfs/dbraw/zinc/08/29/92/399082992.db2.gz	LGBFSGIVKGTDAO-KGLIPLIRSA-N	0	3	308.328	2.553	20	30		DFEDHN
CCC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1	ZINC000079790217	399084529	/nfs/dbraw/zinc/08/45/29/399084529.db2.gz	KGFMEHUPPTVTLA-QZTJIDSGSA-N	0	3	313.445	2.885	20	30		DFEDHN
C[C@H](CN1CCC(C)CC1)NC(=O)NCC1(C#N)CCCCC1	ZINC000595784267	399084052	/nfs/dbraw/zinc/08/40/52/399084052.db2.gz	JOJBMUODFHXZIL-MRXNPFEDSA-N	0	3	320.481	2.880	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnn(C(C)C)c1)C(C)C	ZINC000191625690	335004605	/nfs/dbraw/zinc/00/46/05/335004605.db2.gz	KGUFONCHRAGIPF-KRWDZBQOSA-N	0	3	318.465	2.892	20	30		DFEDHN
N#Cc1cnc2c(F)ccc(Cl)c2c1NCCN1CCCC1	ZINC000338339053	284102129	/nfs/dbraw/zinc/10/21/29/284102129.db2.gz	SZMWAMNBSDLMBL-UHFFFAOYSA-N	0	3	318.783	2.829	20	30		DFEDHN
C=C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1	ZINC000284217562	335010692	/nfs/dbraw/zinc/01/06/92/335010692.db2.gz	UEZORKKYWMODDT-IBGZPJMESA-N	0	3	300.446	2.930	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000595841086	399109647	/nfs/dbraw/zinc/10/96/47/399109647.db2.gz	HNNQIMGIWCDEIE-OAGGEKHMSA-N	0	3	301.434	2.901	20	30		DFEDHN
CC(CCN1CC[C@](C)(C#N)C1)CCN1CC[C@](C)(C#N)C1	ZINC000595841832	399110032	/nfs/dbraw/zinc/11/00/32/399110032.db2.gz	ORNHLSKVVUPUOK-QZTJIDSGSA-N	0	3	302.466	2.874	20	30		DFEDHN
C#CCCCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1	ZINC000284565316	335013530	/nfs/dbraw/zinc/01/35/30/335013530.db2.gz	YNGDMJFLCSTJFR-KRWDZBQOSA-N	0	3	302.418	2.608	20	30		DFEDHN
N#Cc1ccc(OCCNCc2cnn(-c3ccccc3)c2)cc1	ZINC000174560872	399114483	/nfs/dbraw/zinc/11/44/83/399114483.db2.gz	CWWFBBPBVYOQMR-UHFFFAOYSA-N	0	3	318.380	2.913	20	30		DFEDHN
CCCC(=O)Nc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1	ZINC000600716326	399121817	/nfs/dbraw/zinc/12/18/17/399121817.db2.gz	JVVJYUXDFLYKLY-MRXNPFEDSA-N	0	3	315.417	2.570	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2ccccc2OC(F)(F)F)CC1	ZINC000600717149	399123303	/nfs/dbraw/zinc/12/33/03/399123303.db2.gz	JLKDLJXPJPUHAQ-GFCCVEGCSA-N	0	3	314.307	2.730	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2sccc2Br)CC1	ZINC000600722279	399124496	/nfs/dbraw/zinc/12/44/96/399124496.db2.gz	QDGRRXGUNHLBKR-SECBINFHSA-N	0	3	315.236	2.655	20	30		DFEDHN
N#CC1(C[C@@H](O)CNCc2coc3ccccc23)CCOCC1	ZINC000600723619	399124954	/nfs/dbraw/zinc/12/49/54/399124954.db2.gz	CRTSIFBFFCOFHM-OAHLLOKOSA-N	0	3	314.385	2.594	20	30		DFEDHN
CO[C@@H](CNC[C@H](O)CC1(C#N)CC1)c1ccccc1Cl	ZINC000600728675	399126195	/nfs/dbraw/zinc/12/61/95/399126195.db2.gz	AZJZBLHWTTZCJR-DOMZBBRYSA-N	0	3	308.809	2.672	20	30		DFEDHN
N#CC1(C[C@H](O)CN[C@H]2CCCOc3cc(F)ccc32)CC1	ZINC000600731974	399127767	/nfs/dbraw/zinc/12/77/67/399127767.db2.gz	OIZHZDYEWJTVHC-ZFWWWQNUSA-N	0	3	304.365	2.684	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)CC2(C#N)CC2)c(OCC2CC2)c1	ZINC000600730279	399128115	/nfs/dbraw/zinc/12/81/15/399128115.db2.gz	KXZIOFHNFBCKLC-KRWDZBQOSA-N	0	3	314.429	2.928	20	30		DFEDHN
C#CC[C@@H](NC[C@H](O)COCc1ccccc1)c1ccccc1	ZINC000271749347	209179736	/nfs/dbraw/zinc/17/97/36/209179736.db2.gz	XECRXJPHXXCYED-VQTJNVASSA-N	0	3	309.409	2.918	20	30		DFEDHN
CO[C@H](c1ccccc1F)[C@H](C)NC[C@@H](O)CC1(C#N)CC1	ZINC000600733301	399129270	/nfs/dbraw/zinc/12/92/70/399129270.db2.gz	YMSMCZOXTHDLSJ-XEZPLFJOSA-N	0	3	306.381	2.546	20	30		DFEDHN
COc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)cc1C#N	ZINC000595908879	399131509	/nfs/dbraw/zinc/13/15/09/399131509.db2.gz	JCEUZGNIPGLIHW-KDURUIRLSA-N	0	3	312.413	2.959	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2ccnc(O[C@@H](C)CC)c2)CC1	ZINC000180286933	399133029	/nfs/dbraw/zinc/13/30/29/399133029.db2.gz	XFAAMTPAHYBWOZ-AWEZNQCLSA-N	0	3	317.433	2.639	20	30		DFEDHN
N#CC1(C[C@H](O)CNCc2csc(C(F)(F)F)c2)CC1	ZINC000600760528	399137225	/nfs/dbraw/zinc/13/72/25/399137225.db2.gz	VIXXPFDCVLBSBP-JTQLQIEISA-N	0	3	304.337	2.911	20	30		DFEDHN
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](N)CCCCC#N)CC3	ZINC000595972837	399143053	/nfs/dbraw/zinc/14/30/53/399143053.db2.gz	YPQJEYANYYIAFG-INIZCTEOSA-N	0	3	324.428	2.772	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)cn1)C(C)C	ZINC000182255899	399143314	/nfs/dbraw/zinc/14/33/14/399143314.db2.gz	VXJKTXFKCOJADP-INIZCTEOSA-N	0	3	305.397	2.649	20	30		DFEDHN
C[C@H](C#N)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1	ZINC000182683831	399147803	/nfs/dbraw/zinc/14/78/03/399147803.db2.gz	KPCGDWJPCHIUPN-IPYPFGDCSA-N	0	3	320.462	2.590	20	30		DFEDHN
C#CCN1CCC(C(=O)NCCCc2c[nH]c3ccccc23)CC1	ZINC000264572207	204004577	/nfs/dbraw/zinc/00/45/77/204004577.db2.gz	SJVORRNVHFTHCN-UHFFFAOYSA-N	0	3	323.440	2.562	20	30		DFEDHN
N#Cc1ccccc1/C=C/C(=O)N1CC[C@H](N2CCCCC2)C1	ZINC000264584466	204010606	/nfs/dbraw/zinc/01/06/06/204010606.db2.gz	KFOVZIAXXRSWPK-BLGFXRMMSA-N	0	3	309.413	2.658	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1	ZINC000264671961	204069025	/nfs/dbraw/zinc/06/90/25/204069025.db2.gz	WRQWUEMXKYSNKC-KRWDZBQOSA-N	0	3	312.457	2.696	20	30		DFEDHN
C[C@H](C#N)CNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1	ZINC000182765271	399148882	/nfs/dbraw/zinc/14/88/82/399148882.db2.gz	BFFSZAIGMSNYRW-CYBMUJFWSA-N	0	3	322.840	2.573	20	30		DFEDHN
C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccsc1	ZINC000061362671	399154351	/nfs/dbraw/zinc/15/43/51/399154351.db2.gz	IDGUFKLRKGZGBK-IUODEOHRSA-N	0	3	302.399	2.710	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C	ZINC000265023437	204350835	/nfs/dbraw/zinc/35/08/35/204350835.db2.gz	YRVWBEVRFOZOSG-GJZGRUSLSA-N	0	3	300.402	2.560	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@@H](CC(C)C)c1ccccc1C	ZINC000183248797	335015234	/nfs/dbraw/zinc/01/52/34/335015234.db2.gz	XGUSENJCKAWMSH-INIZCTEOSA-N	0	3	317.433	2.684	20	30		DFEDHN
N#Cc1cnc2ccc(Cl)cc2c1N[C@H]1CCN(C2CC2)C1	ZINC000596087266	399168812	/nfs/dbraw/zinc/16/88/12/399168812.db2.gz	HMUAPURBXGVRPG-ZDUSSCGKSA-N	0	3	312.804	2.830	20	30		DFEDHN
C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N[C@H](C)CCC	ZINC000284928081	335015405	/nfs/dbraw/zinc/01/54/05/335015405.db2.gz	AKBCCJAFDMAVNC-JFIYKMOQSA-N	0	3	300.446	2.904	20	30		DFEDHN
Cn1ncc(C#N)c1NC[C@H]1CCCCN1Cc1ccccc1	ZINC000596093467	399170421	/nfs/dbraw/zinc/17/04/21/399170421.db2.gz	UPBYIDGCQBBSKL-QGZVFWFLSA-N	0	3	309.417	2.758	20	30		DFEDHN
C=CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C)c1ccccc1	ZINC000284662024	335016367	/nfs/dbraw/zinc/01/63/67/335016367.db2.gz	GDZWBWRPBYTTHX-OKZBNKHCSA-N	0	3	316.445	2.524	20	30		DFEDHN
C[C@@H]1CN2CCCC[C@@H]2CN1c1nc2ncccc2cc1C#N	ZINC000596130385	399183530	/nfs/dbraw/zinc/18/35/30/399183530.db2.gz	DCIJUIZZDUWGQD-CZUORRHYSA-N	0	3	307.401	2.564	20	30		DFEDHN
Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000288280410	220060044	/nfs/dbraw/zinc/06/00/44/220060044.db2.gz	HGXJHRGULKBLEQ-GOSISDBHSA-N	0	3	321.428	2.758	20	30		DFEDHN
CN(C)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(Cl)cc1	ZINC000282756849	217228359	/nfs/dbraw/zinc/22/83/59/217228359.db2.gz	BRMRVRAEFMIQER-OAHLLOKOSA-N	0	3	316.792	2.572	20	30		DFEDHN
Cc1cc(NC[C@@]2(N(C)C)CCSC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596149155	399191940	/nfs/dbraw/zinc/19/19/40/399191940.db2.gz	JSFBCMHVSFNCBU-HNNXBMFYSA-N	0	3	320.418	2.624	20	30		DFEDHN
Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000271679919	209121049	/nfs/dbraw/zinc/12/10/49/209121049.db2.gz	OWFVPVHBNTWVAZ-OAHLLOKOSA-N	0	3	307.397	2.834	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000063722873	399204944	/nfs/dbraw/zinc/20/49/44/399204944.db2.gz	JXDNEDLURPCNLA-CMDGGOBGSA-N	0	3	311.429	2.904	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC(OC[C@H]2CCOC2)CC1	ZINC000614403452	399226973	/nfs/dbraw/zinc/22/69/73/399226973.db2.gz	ZDPFPVKUVJIDGV-KRWDZBQOSA-N	0	3	314.429	2.884	20	30		DFEDHN
CC(C)[C@@H]1OCC[C@H]1CN[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000267468440	206089626	/nfs/dbraw/zinc/08/96/26/206089626.db2.gz	XABKTSHCWMZVNO-QRTARXTBSA-N	0	3	315.417	2.536	20	30		DFEDHN
C=CCC[C@@H](O)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000192158505	335026783	/nfs/dbraw/zinc/02/67/83/335026783.db2.gz	DLHHOLXXCBWBMZ-VYDXJSESSA-N	0	3	322.836	2.529	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000065586768	399247046	/nfs/dbraw/zinc/24/70/46/399247046.db2.gz	AREAXBQEODLOKJ-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2cc([N+](=O)[O-])ccc2C)nc(C)n1	ZINC000065650332	399247943	/nfs/dbraw/zinc/24/79/43/399247943.db2.gz	XIYXZFRBSBRTFB-AWEZNQCLSA-N	0	3	310.313	2.800	20	30		DFEDHN
C[C@H](CCC#N)CNCc1nnc2ccc(C(F)(F)F)cn21	ZINC000618887866	399252498	/nfs/dbraw/zinc/25/24/98/399252498.db2.gz	MGWDYNBSCHHMHB-SNVBAGLBSA-N	0	3	311.311	2.778	20	30		DFEDHN
C=CCC[C@H](O)CN(C)CCc1nc(-c2ccccc2)no1	ZINC000286226314	335030797	/nfs/dbraw/zinc/03/07/97/335030797.db2.gz	YYNGUWFXSOCKAN-HNNXBMFYSA-N	0	3	301.390	2.538	20	30		DFEDHN
C=C(Cl)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000286171441	335032734	/nfs/dbraw/zinc/03/27/34/335032734.db2.gz	WUUXWRPCORDYFF-SFHVURJKSA-N	0	3	319.880	2.631	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)CN1CCC(C)CC1	ZINC000618994728	399274473	/nfs/dbraw/zinc/27/44/73/399274473.db2.gz	BBDCECBISFCFGV-BRWVUGGUSA-N	0	3	308.466	2.594	20	30		DFEDHN
COC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCO1	ZINC000619060426	399286683	/nfs/dbraw/zinc/28/66/83/399286683.db2.gz	YTWJDEMQDAQSSL-SJORKVTESA-N	0	3	302.418	2.771	20	30		DFEDHN
CCC[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000608815971	399297626	/nfs/dbraw/zinc/29/76/26/399297626.db2.gz	QCHOGIYQJBNPCO-RDJZCZTQSA-N	0	3	317.408	2.846	20	30		DFEDHN
CN(C(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[C@@H]1C#N	ZINC000601564759	399301402	/nfs/dbraw/zinc/30/14/02/399301402.db2.gz	FRNMHGJIEDGGGB-IAQYHMDHSA-N	0	3	316.380	2.627	20	30		DFEDHN
Cc1ccc(CN2CC[C@@H](NC(=O)NCCCCC#N)C2)cc1	ZINC000601572880	399302619	/nfs/dbraw/zinc/30/26/19/399302619.db2.gz	TYSMSTGYMSTIEQ-QGZVFWFLSA-N	0	3	314.433	2.562	20	30		DFEDHN
Cc1ccc(CN2CC[C@H](NC(=O)NCCCCC#N)C2)cc1	ZINC000601572879	399302669	/nfs/dbraw/zinc/30/26/69/399302669.db2.gz	TYSMSTGYMSTIEQ-KRWDZBQOSA-N	0	3	314.433	2.562	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cc3ccccc3n2CC#N)C1	ZINC000609163705	399307597	/nfs/dbraw/zinc/30/75/97/399307597.db2.gz	VIOIESZWYBQMIM-OAHLLOKOSA-N	0	3	324.428	2.627	20	30		DFEDHN
COc1cc(CN(C)C)ccc1NC(=O)Cc1ccc(C#N)cc1	ZINC000601622715	399310269	/nfs/dbraw/zinc/31/02/69/399310269.db2.gz	UAQMMANESXTWHC-UHFFFAOYSA-N	0	3	323.396	2.810	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1ccnc1	ZINC000601687146	399321003	/nfs/dbraw/zinc/32/10/03/399321003.db2.gz	XSBVOLBKKIMYMO-QZTJIDSGSA-N	0	3	322.412	2.647	20	30		DFEDHN
C=C(C)[C@@H](NCCN1CCO[C@H](C)C1)c1ccc(F)c(F)c1	ZINC000192803306	335039597	/nfs/dbraw/zinc/03/95/97/335039597.db2.gz	KKGCMHDDTOBVLO-CXAGYDPISA-N	0	3	310.388	2.892	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cnn(C3CCCC3)c2C)CC1	ZINC000192989268	335040312	/nfs/dbraw/zinc/04/03/12/335040312.db2.gz	WGGNHSIXQHZNTC-UHFFFAOYSA-N	0	3	314.433	2.590	20	30		DFEDHN
CN1CCC(n2cc(NC(=O)C3(C#N)CCCCC3)cn2)CC1	ZINC000601768422	399332614	/nfs/dbraw/zinc/33/26/14/399332614.db2.gz	BNRNFPDYBGFRQC-UHFFFAOYSA-N	0	3	315.421	2.562	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCCN(C[C@H]2CCCO2)CC1	ZINC000610002600	399338525	/nfs/dbraw/zinc/33/85/25/399338525.db2.gz	WIXCENRNXSZAKR-QFBILLFUSA-N	0	3	313.445	2.806	20	30		DFEDHN
C[C@H](O)CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1	ZINC000104684474	194025754	/nfs/dbraw/zinc/02/57/54/194025754.db2.gz	YXARKDKLBUSCTM-AWEZNQCLSA-N	0	3	315.417	2.512	20	30		DFEDHN
Cc1cccc(CN2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)c1	ZINC000601850440	399349835	/nfs/dbraw/zinc/34/98/35/399349835.db2.gz	NARTXVDEYZLCRZ-IBGZPJMESA-N	0	3	319.408	2.871	20	30		DFEDHN
CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(C#N)o1	ZINC000610271774	399352306	/nfs/dbraw/zinc/35/23/06/399352306.db2.gz	CKCMQUCONASXAY-XJKSGUPXSA-N	0	3	303.406	2.524	20	30		DFEDHN
COC[C@H](NC(=O)C(C)C#N)c1cccc(C(F)(F)F)c1	ZINC000610340550	399358230	/nfs/dbraw/zinc/35/82/30/399358230.db2.gz	OZKLQRXFKZDUKN-CABZTGNLSA-N	0	3	300.280	2.669	20	30		DFEDHN
CCS(=O)(=O)c1ccc([C@H](C)NCC2(CC#N)CC2)cc1	ZINC000619535112	399358600	/nfs/dbraw/zinc/35/86/00/399358600.db2.gz	NFVIDTGQUNYCTQ-ZDUSSCGKSA-N	0	3	306.431	2.825	20	30		DFEDHN
CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@](F)(C#N)C1	ZINC000615665295	399370347	/nfs/dbraw/zinc/37/03/47/399370347.db2.gz	YJJYSUAMHONFGO-QGZVFWFLSA-N	0	3	315.348	2.572	20	30		DFEDHN
Cc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1Br	ZINC000601969834	399371666	/nfs/dbraw/zinc/37/16/66/399371666.db2.gz	FQTFYKUHLHRVKS-ZDUSSCGKSA-N	0	3	323.234	2.902	20	30		DFEDHN
CN(C)[C@@H](CNCc1cccc(F)c1C#N)Cc1ccccc1	ZINC000602000514	399380067	/nfs/dbraw/zinc/38/00/67/399380067.db2.gz	ZRFJDYNMKMQFMD-QGZVFWFLSA-N	0	3	311.404	2.960	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](C)[C@@H](C)C(=O)OCC)cc1OC	ZINC000273760852	211033721	/nfs/dbraw/zinc/03/37/21/211033721.db2.gz	PXWZJTPLIMWZRC-ZIAGYGMSSA-N	0	3	321.417	2.937	20	30		DFEDHN
CC[C@H]1CN2CCCC[C@H]2CN1CCOc1cccc(C#N)c1	ZINC000610582999	399382945	/nfs/dbraw/zinc/38/29/45/399382945.db2.gz	KKDFIRIGOLAQLC-ROUUACIJSA-N	0	3	313.445	2.886	20	30		DFEDHN
CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(F)c(C#N)c1	ZINC000610587035	399384585	/nfs/dbraw/zinc/38/45/85/399384585.db2.gz	PUHHVAHAZXSPRV-ZDUSSCGKSA-N	0	3	304.369	2.693	20	30		DFEDHN
C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)CN1C1CC1	ZINC000610654047	399388890	/nfs/dbraw/zinc/38/88/90/399388890.db2.gz	DUYLOFUBIRJSJO-ZFWWWQNUSA-N	0	3	322.412	2.520	20	30		DFEDHN
N#C[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H]2CCOC2)CC1	ZINC000619784561	399391454	/nfs/dbraw/zinc/39/14/54/399391454.db2.gz	AOENGRRWTZHNBB-RHSMWYFYSA-N	0	3	319.836	2.559	20	30		DFEDHN
N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C2CCOCC2)CC1	ZINC000619784595	399391684	/nfs/dbraw/zinc/39/16/84/399391684.db2.gz	DKZKFEWGHORKMM-KRWDZBQOSA-N	0	3	319.836	2.701	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](Nc2c(C#N)cnc3c(C)cc(F)cc32)C1	ZINC000610678660	399391737	/nfs/dbraw/zinc/39/17/37/399391737.db2.gz	ZMHYNKWFZDMULK-WBMJQRKESA-N	0	3	312.392	2.728	20	30		DFEDHN
CCN1C[C@@H](C)[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1	ZINC000610678522	399392331	/nfs/dbraw/zinc/39/23/31/399392331.db2.gz	SJXQZSDLENLWBN-BZNIZROVSA-N	0	3	314.820	2.934	20	30		DFEDHN
CN(CCCNC(=O)c1cscc1C#N)Cc1ccccc1	ZINC000432038611	269686807	/nfs/dbraw/zinc/68/68/07/269686807.db2.gz	BLESIXKDJOZCTN-UHFFFAOYSA-N	0	3	313.426	2.872	20	30		DFEDHN
C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC(=O)N(C)C2)cc1	ZINC000268876679	207046716	/nfs/dbraw/zinc/04/67/16/207046716.db2.gz	VNQCPLGLMJSHIU-JSGCOSHPSA-N	0	3	308.809	2.699	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)c1cc2ccccc2n1CC#N	ZINC000610975739	399423794	/nfs/dbraw/zinc/42/37/94/399423794.db2.gz	SXHWCBNKWIIEKL-UHFFFAOYSA-N	0	3	312.417	2.577	20	30		DFEDHN
COc1ccc(CN2CCc3ccc(O)cc3CC2)cc1C#N	ZINC000610993135	399426062	/nfs/dbraw/zinc/42/60/62/399426062.db2.gz	FKSXTGBBGATENM-UHFFFAOYSA-N	0	3	308.381	2.873	20	30		DFEDHN
N#C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCN1C1CCCCC1	ZINC000602340939	399427454	/nfs/dbraw/zinc/42/74/54/399427454.db2.gz	GFELUHNSKHELRA-XIRDDKMYSA-N	0	3	318.465	2.775	20	30		DFEDHN
N#Cc1ccc(CN2CCN(CC3CCSCC3)CC2)cc1	ZINC000602434688	399443572	/nfs/dbraw/zinc/44/35/72/399443572.db2.gz	OBIFOBABWJXSBZ-UHFFFAOYSA-N	0	3	315.486	2.819	20	30		DFEDHN
C=CCN(Cc1cccc(C#N)c1)[C@H](C)C(C)(C)n1cncn1	ZINC000602455760	399449876	/nfs/dbraw/zinc/44/98/76/399449876.db2.gz	UJGKCQLCMCYMOK-OAHLLOKOSA-N	0	3	309.417	2.962	20	30		DFEDHN
CN(Cc1ccccc1)[C@H]1CCN(Cc2cccc(C#N)n2)C1	ZINC000602476455	399456472	/nfs/dbraw/zinc/45/64/72/399456472.db2.gz	NZCUIDZHIUSFKT-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
CN1CCN(Cc2ccc(NC3CCC(C#N)CC3)cc2)CC1	ZINC000602483255	399458091	/nfs/dbraw/zinc/45/80/91/399458091.db2.gz	IIHRBHQBZAHTJY-UHFFFAOYSA-N	0	3	312.461	2.928	20	30		DFEDHN
C=CCc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc(OC)c1O	ZINC000623752633	399458490	/nfs/dbraw/zinc/45/84/90/399458490.db2.gz	IWYCRQPXPURJFG-JKSUJKDBSA-N	0	3	303.402	2.786	20	30		DFEDHN
N#Cc1cccc(CN(CCc2ccccc2)[C@H]2CCOC2)n1	ZINC000602487160	399459614	/nfs/dbraw/zinc/45/96/14/399459614.db2.gz	UZIMQOFAMRXTFQ-IBGZPJMESA-N	0	3	307.397	2.787	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H](c2ccccc2)N2CCCC2)n1	ZINC000602502901	399461775	/nfs/dbraw/zinc/46/17/75/399461775.db2.gz	IMBAANYMCNJYKZ-IBGZPJMESA-N	0	3	306.413	2.880	20	30		DFEDHN
C=CC[C@H]1CC[C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000623779886	399464693	/nfs/dbraw/zinc/46/46/93/399464693.db2.gz	SWISNYPDPXJBTG-UONOGXRCSA-N	0	3	316.401	2.731	20	30		DFEDHN
C[C@H](COc1ccc(F)cc1F)NCc1cccc(C#N)n1	ZINC000602519792	399467097	/nfs/dbraw/zinc/46/70/97/399467097.db2.gz	AQJIMIXPAWKMII-LLVKDONJSA-N	0	3	303.312	2.789	20	30		DFEDHN
CS[C@H]1CN(c2cc(C#N)nc3ccccc32)C[C@H]1N(C)C	ZINC000611370815	399466750	/nfs/dbraw/zinc/46/67/50/399466750.db2.gz	FTFLHRPBQGCQRF-SJORKVTESA-N	0	3	312.442	2.588	20	30		DFEDHN
C=CCOc1ccc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1	ZINC000620254923	399467656	/nfs/dbraw/zinc/46/76/56/399467656.db2.gz	DAZZBOYDDPSKPG-INIZCTEOSA-N	0	3	304.434	2.958	20	30		DFEDHN
C[C@@H](CCc1ccc2c(c1)OCO2)NCc1cccc(C#N)n1	ZINC000602524618	399467697	/nfs/dbraw/zinc/46/76/97/399467697.db2.gz	NJROGZQALBWEIB-ZDUSSCGKSA-N	0	3	309.369	2.793	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@H]2NCCOC[C@H]1CCOC1	ZINC000611392815	399469763	/nfs/dbraw/zinc/46/97/63/399469763.db2.gz	NIPIIHWFQJTGBX-MAUKXSAKSA-N	0	3	300.402	2.578	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2NCCC(=O)Nc1ccccn1	ZINC000611392366	399469803	/nfs/dbraw/zinc/46/98/03/399469803.db2.gz	NRIHDFMBQCGXGO-KRWDZBQOSA-N	0	3	320.396	2.949	20	30		DFEDHN
COc1nsc(CNCCCCC#N)c1Br	ZINC000602541221	399471615	/nfs/dbraw/zinc/47/16/15/399471615.db2.gz	OIZXOBWWWPZZAL-UHFFFAOYSA-N	0	3	304.213	2.698	20	30		DFEDHN
CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@@H](N)CCCC#N	ZINC000602551382	399473967	/nfs/dbraw/zinc/47/39/67/399473967.db2.gz	JEOVOYUKIHQTEO-HOTGVXAUSA-N	0	3	317.408	2.941	20	30		DFEDHN
CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@H](N)CCCC#N	ZINC000602551384	399474013	/nfs/dbraw/zinc/47/40/13/399474013.db2.gz	JEOVOYUKIHQTEO-HZPDHXFCSA-N	0	3	317.408	2.941	20	30		DFEDHN
CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)CC1	ZINC000602547731	399473278	/nfs/dbraw/zinc/47/32/78/399473278.db2.gz	ZYKZHVQVSBPTES-ULQDDVLXSA-N	0	3	323.481	2.888	20	30		DFEDHN
N#Cc1cccc(CN[C@H]2CCCN(Cc3ccccc3)C2)n1	ZINC000602561999	399476498	/nfs/dbraw/zinc/47/64/98/399476498.db2.gz	USVYTQLDHIVBIK-IBGZPJMESA-N	0	3	306.413	2.707	20	30		DFEDHN
N#Cc1cccc(CNCCCCc2ccc([N+](=O)[O-])cc2)n1	ZINC000602563385	399476665	/nfs/dbraw/zinc/47/66/65/399476665.db2.gz	ZMIJCZUPMFSUBC-UHFFFAOYSA-N	0	3	310.357	2.974	20	30		DFEDHN
N#CCCCC[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12	ZINC000602561305	399475816	/nfs/dbraw/zinc/47/58/16/399475816.db2.gz	XWDPXDFCZHOLNN-ARLBYUKCSA-N	0	3	317.820	2.506	20	30		DFEDHN
CC(C)[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(=O)N1CCCC1	ZINC000611465986	399478753	/nfs/dbraw/zinc/47/87/53/399478753.db2.gz	CEUKYLJVCYZNBX-DYVFJYSZSA-N	0	3	317.408	2.995	20	30		DFEDHN
CCCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F	ZINC000602566536	399478167	/nfs/dbraw/zinc/47/81/67/399478167.db2.gz	FSGCQXTXBLXMRB-AWEZNQCLSA-N	0	3	307.369	2.964	20	30		DFEDHN
CC[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H](C)CCC#N	ZINC000602579606	399481397	/nfs/dbraw/zinc/48/13/97/399481397.db2.gz	BNSMXJJGGRZRJQ-LSDHHAIUSA-N	0	3	308.447	2.768	20	30		DFEDHN
C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CN(C)Cc2ccccc21	ZINC000602582314	399482426	/nfs/dbraw/zinc/48/24/26/399482426.db2.gz	WAFSQHAQJWZDGG-MAUKXSAKSA-N	0	3	313.445	2.862	20	30		DFEDHN
CCN1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C	ZINC000611500712	399482663	/nfs/dbraw/zinc/48/26/63/399482663.db2.gz	SRUQISPRAYYCEY-LBPRGKRZSA-N	0	3	322.250	2.847	20	30		DFEDHN
N#CCCCC[C@@H](N)C(=O)N(CC1CC1)c1cccc(F)c1	ZINC000602576493	399480951	/nfs/dbraw/zinc/48/09/51/399480951.db2.gz	CLVJTYDJYWWYGZ-MRXNPFEDSA-N	0	3	303.381	2.980	20	30		DFEDHN
C[C@H](O)[C@@](C)(CNCc1cccc(C#N)n1)Cc1ccccc1	ZINC000602632398	399497318	/nfs/dbraw/zinc/49/73/18/399497318.db2.gz	SVVGBGLCFKAKGM-HNAYVOBHSA-N	0	3	309.413	2.673	20	30		DFEDHN
N#Cc1cccc(CNCCc2ccccc2OC(F)F)n1	ZINC000602632974	399497384	/nfs/dbraw/zinc/49/73/84/399497384.db2.gz	VJGFNABSRCHVGK-UHFFFAOYSA-N	0	3	303.312	2.887	20	30		DFEDHN
C[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(C#N)cc1F	ZINC000611589169	399497540	/nfs/dbraw/zinc/49/75/40/399497540.db2.gz	UKVFEKLNOHXINV-DXCKQFNASA-N	0	3	304.365	2.686	20	30		DFEDHN
C[C@@H](C#N)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1	ZINC000611624114	399500326	/nfs/dbraw/zinc/50/03/26/399500326.db2.gz	VXWCASYNGOIJMC-RDJZCZTQSA-N	0	3	314.433	2.672	20	30		DFEDHN
Cn1ccnc1[C@H](NC1CCC(C#N)CC1)C1CCOCC1	ZINC000602650739	399503270	/nfs/dbraw/zinc/50/32/70/399503270.db2.gz	PZOBFTPOXYNRDK-AVVWSFFYSA-N	0	3	302.422	2.560	20	30		DFEDHN
CC(C)[C@H](C#N)N1CCN(C[C@H]2CCc3ccccc3C2)CC1	ZINC000611668366	399503431	/nfs/dbraw/zinc/50/34/31/399503431.db2.gz	FRWOLASYXASJIE-PXNSSMCTSA-N	0	3	311.473	2.957	20	30		DFEDHN
Cn1nc(C(=O)OC(C)(C)C)cc1CN[C@H]1CC[C@@H](CC#N)C1	ZINC000602680650	399518373	/nfs/dbraw/zinc/51/83/73/399518373.db2.gz	QRWJIBPHQPGQBL-STQMWFEESA-N	0	3	318.421	2.547	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1	ZINC000625322592	399520522	/nfs/dbraw/zinc/52/05/22/399520522.db2.gz	IIDDJRKHJKEVPB-CEXWTWQISA-N	0	3	310.441	2.729	20	30		DFEDHN
C[C@H](CC1(C#N)CCOCC1)N[C@@H]1COCc2ccccc21	ZINC000602694808	399524027	/nfs/dbraw/zinc/52/40/27/399524027.db2.gz	KAEITXPMBKGKQY-RHSMWYFYSA-N	0	3	300.402	2.946	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(C)o1)OCC	ZINC000270038331	208092553	/nfs/dbraw/zinc/09/25/53/208092553.db2.gz	JDMNJFCNRUIJDY-QGZVFWFLSA-N	0	3	322.449	2.850	20	30		DFEDHN
CN(C)Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1	ZINC000270295925	208371866	/nfs/dbraw/zinc/37/18/66/208371866.db2.gz	WIBQSBXJZPIBCJ-UHFFFAOYSA-N	0	3	305.381	2.823	20	30		DFEDHN
N#Cc1cccc(CNC[C@@H]2CCO[C@H]2c2ccc(F)cc2)n1	ZINC000602743655	399552866	/nfs/dbraw/zinc/55/28/66/399552866.db2.gz	VUNYYXFBJGHDDD-KSSFIOAISA-N	0	3	311.360	2.960	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H](Cc1ccc(F)cc1)C(C)C	ZINC000272919532	210304877	/nfs/dbraw/zinc/30/48/77/210304877.db2.gz	XYARBNWGILVDNI-INIZCTEOSA-N	0	3	313.438	2.583	20	30		DFEDHN
CCN(CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000158180137	197250447	/nfs/dbraw/zinc/25/04/47/197250447.db2.gz	GNVSTBOGIVJMNF-NSHDSACASA-N	0	3	323.824	2.631	20	30		DFEDHN
C#CCC(CC#C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1	ZINC000287998562	335050823	/nfs/dbraw/zinc/05/08/23/335050823.db2.gz	XJTYMDJSCHCREU-QGZVFWFLSA-N	0	3	316.832	2.722	20	30		DFEDHN
N#CCC1(CN2CCC(NC(=O)NC3CCCCC3)CC2)CC1	ZINC000602791642	399575809	/nfs/dbraw/zinc/57/58/09/399575809.db2.gz	QSRFFOPYBKCMNW-UHFFFAOYSA-N	0	3	318.465	2.777	20	30		DFEDHN
C=CCOc1ccccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C	ZINC000288433374	335052810	/nfs/dbraw/zinc/05/28/10/335052810.db2.gz	OLUHITBYPMFWDG-CVEARBPZSA-N	0	3	314.429	2.950	20	30		DFEDHN
CC(C)N(C[C@@H](O)COc1ccccc1)CC1(CC#N)CC1	ZINC000602820100	399588703	/nfs/dbraw/zinc/58/87/03/399588703.db2.gz	XDTWRYONUZKCBD-MRXNPFEDSA-N	0	3	302.418	2.831	20	30		DFEDHN
C=CCC(C)(C)C(=O)N1CCC(CC)(N2CCOCC2)CC1	ZINC000629414523	399596061	/nfs/dbraw/zinc/59/60/61/399596061.db2.gz	BFDMSYLTUKPTQL-UHFFFAOYSA-N	0	3	308.466	2.692	20	30		DFEDHN
CC1CN(CC2(CC#N)CC2)CCN(CC2(CC#N)CC2)C1	ZINC000602841675	399597544	/nfs/dbraw/zinc/59/75/44/399597544.db2.gz	UTBFCXSECJFCHT-UHFFFAOYSA-N	0	3	300.450	2.628	20	30		DFEDHN
Cc1nn(-c2ccncc2)cc1CNCc1ccc(C#N)cc1F	ZINC000612181105	399599081	/nfs/dbraw/zinc/59/90/81/399599081.db2.gz	MMDDREZSYJJQFI-UHFFFAOYSA-N	0	3	321.359	2.876	20	30		DFEDHN
Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1cccc(C#N)c1	ZINC000602846114	399599233	/nfs/dbraw/zinc/59/92/33/399599233.db2.gz	MERQWUVRKBXHRB-LBPRGKRZSA-N	0	3	313.361	2.664	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CCCN(c2ccncc2)CC1	ZINC000602846413	399599971	/nfs/dbraw/zinc/59/99/71/399599971.db2.gz	PUXIUDLDRURTPO-UHFFFAOYSA-N	0	3	322.412	2.674	20	30		DFEDHN
Cn1nccc1C1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000155967940	197077415	/nfs/dbraw/zinc/07/74/15/197077415.db2.gz	VXXGRLNUBYWBOL-UHFFFAOYSA-N	0	3	324.428	2.940	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H](CNC(C)=O)C2)c1	ZINC000155611122	197072093	/nfs/dbraw/zinc/07/20/93/197072093.db2.gz	LNKMZXWVACLHRO-QGZVFWFLSA-N	0	3	302.418	2.600	20	30		DFEDHN
Cc1cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c2ccccc2n1	ZINC000602854270	399603596	/nfs/dbraw/zinc/60/35/96/399603596.db2.gz	BFJXHDVJJXXLGB-HZPDHXFCSA-N	0	3	308.429	2.961	20	30		DFEDHN
Cc1ccc(C)c(OCCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602857913	399605139	/nfs/dbraw/zinc/60/51/39/399605139.db2.gz	WVWNANSXEGTSHE-HDICACEKSA-N	0	3	315.461	2.991	20	30		DFEDHN
CC(C)c1n[nH]c(CC2CCN(CC3(C#N)CCC3)CC2)n1	ZINC000602867090	399608632	/nfs/dbraw/zinc/60/86/32/399608632.db2.gz	XSCJGUNBJBAWFN-UHFFFAOYSA-N	0	3	301.438	2.876	20	30		DFEDHN
CC(C)c1nc(CC2CCN(CC3(C#N)CCC3)CC2)n[nH]1	ZINC000602867090	399608639	/nfs/dbraw/zinc/60/86/39/399608639.db2.gz	XSCJGUNBJBAWFN-UHFFFAOYSA-N	0	3	301.438	2.876	20	30		DFEDHN
CC(C)c1nnc(CC2CCN(CC3(C#N)CCC3)CC2)[nH]1	ZINC000602867090	399608643	/nfs/dbraw/zinc/60/86/43/399608643.db2.gz	XSCJGUNBJBAWFN-UHFFFAOYSA-N	0	3	301.438	2.876	20	30		DFEDHN
CN1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C(C)(C)C	ZINC000602874968	399611566	/nfs/dbraw/zinc/61/15/66/399611566.db2.gz	WPJIVEGPFPDGAE-QGZVFWFLSA-N	0	3	301.434	2.599	20	30		DFEDHN
C=CC[C@H]1CCN([C@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000625701450	399616647	/nfs/dbraw/zinc/61/66/47/399616647.db2.gz	RRZCADMXCBQKFA-HOCLYGCPSA-N	0	3	300.402	2.699	20	30		DFEDHN
CCn1nccc1CCN1CCC(c2ccc(C#N)cn2)CC1	ZINC000602909125	399623169	/nfs/dbraw/zinc/62/31/69/399623169.db2.gz	ZCPCGPQEHLJKGN-UHFFFAOYSA-N	0	3	309.417	2.592	20	30		DFEDHN
CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1	ZINC000289509749	221028404	/nfs/dbraw/zinc/02/84/04/221028404.db2.gz	UPCWRTJVRRCTOM-UHFFFAOYSA-N	0	3	314.408	2.600	20	30		DFEDHN
CN(C)CCN(Cc1cscn1)Cc1ccc(C#N)cc1	ZINC000289758529	221204892	/nfs/dbraw/zinc/20/48/92/221204892.db2.gz	JQWSLMQUIOICKC-UHFFFAOYSA-N	0	3	300.431	2.579	20	30		DFEDHN
C=C(C)COc1cc(CNCC(C)(C)OCCO)ccc1OC	ZINC000288565117	335056374	/nfs/dbraw/zinc/05/63/74/335056374.db2.gz	ZEOWXKKJZYEFAG-UHFFFAOYSA-N	0	3	323.433	2.527	20	30		DFEDHN
C#Cc1ccc(CNCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1	ZINC000289349894	335058360	/nfs/dbraw/zinc/05/83/60/335058360.db2.gz	XHRIHNKCARSFFO-INIZCTEOSA-N	0	3	321.424	2.578	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccco1	ZINC000603043672	399664688	/nfs/dbraw/zinc/66/46/88/399664688.db2.gz	NDPFQOSQZRMMRQ-KGLIPLIRSA-N	0	3	315.417	2.909	20	30		DFEDHN
C[C@H](CN(C)CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C	ZINC000603053442	399667302	/nfs/dbraw/zinc/66/73/02/399667302.db2.gz	CQFLRBSKMKJKAU-CQSZACIVSA-N	0	3	301.434	2.788	20	30		DFEDHN
CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cc(F)cc(C#N)c1	ZINC000603067213	399669661	/nfs/dbraw/zinc/66/96/61/399669661.db2.gz	UUOAIRWFYLIMJR-AWEZNQCLSA-N	0	3	304.369	2.692	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1(C)COC1	ZINC000625790819	399644414	/nfs/dbraw/zinc/64/44/14/399644414.db2.gz	LBZAFFYGHLOGRN-AWEZNQCLSA-N	0	3	322.474	2.620	20	30		DFEDHN
N#CCN1CCC(N[C@H](c2ccc(F)cc2)c2cccnc2)CC1	ZINC000612409708	399646112	/nfs/dbraw/zinc/64/61/12/399646112.db2.gz	PCBIGQJVTNXVLK-LJQANCHMSA-N	0	3	324.403	2.888	20	30		DFEDHN
C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccnc(C#N)c1	ZINC000603137189	399692154	/nfs/dbraw/zinc/69/21/54/399692154.db2.gz	YGPRVGOMKSOTFI-AWEZNQCLSA-N	0	3	323.400	2.595	20	30		DFEDHN
N#CCC1(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1	ZINC000603142509	399693705	/nfs/dbraw/zinc/69/37/05/399693705.db2.gz	DHIPWEFLCQOTAY-KGLIPLIRSA-N	0	3	312.335	2.804	20	30		DFEDHN
C[C@H](CCC#N)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145088	399695260	/nfs/dbraw/zinc/69/52/60/399695260.db2.gz	MFLJTXZRKYNUMB-MRVWCRGKSA-N	0	3	300.324	2.803	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cc(F)cc(C#N)c1	ZINC000603079481	399674946	/nfs/dbraw/zinc/67/49/46/399674946.db2.gz	URUNTBDMGRLYMH-GFCCVEGCSA-N	0	3	304.369	2.503	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)n1cc(CCN2CCCCC2)nn1	ZINC000603234317	399718254	/nfs/dbraw/zinc/71/82/54/399718254.db2.gz	NKGURHQGNMTTNJ-HNNXBMFYSA-N	0	3	309.417	2.787	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cnc([C@H](C)O)s1)C(C)C	ZINC000289251906	335061243	/nfs/dbraw/zinc/06/12/43/335061243.db2.gz	LXKYEKRFVSNNIZ-GOEBONIOSA-N	0	3	323.506	2.985	20	30		DFEDHN
C#C[C@@H](N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC)C(C)C	ZINC000289371951	335062826	/nfs/dbraw/zinc/06/28/26/335062826.db2.gz	LOJGUNBYQWSRDV-DZGCQCFKSA-N	0	3	318.417	2.668	20	30		DFEDHN
CC(C)(C)OC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000127564999	195889219	/nfs/dbraw/zinc/88/92/19/195889219.db2.gz	DIVHQAKQSAJXOC-QGZVFWFLSA-N	0	3	302.418	2.871	20	30		DFEDHN
C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C	ZINC000128143204	195940166	/nfs/dbraw/zinc/94/01/66/195940166.db2.gz	GEAYJJYIHPUBQI-CKEIUWERSA-N	0	3	320.458	2.746	20	30		DFEDHN
C=CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@H](C)COC	ZINC000617577258	399745743	/nfs/dbraw/zinc/74/57/43/399745743.db2.gz	LJDWEQVZJBLBMC-MRXNPFEDSA-N	0	3	316.445	2.946	20	30		DFEDHN
CC(C)N1CC[C@H](N(C)c2cc(C#N)c(Br)cn2)C1	ZINC000603392294	399763697	/nfs/dbraw/zinc/76/36/97/399763697.db2.gz	XYBBSYDUDWHDJC-LBPRGKRZSA-N	0	3	323.238	2.635	20	30		DFEDHN
C=CCCC[C@H](C)N1CCN(c2ccc(F)cc2C(N)=O)CC1	ZINC000621383265	399779091	/nfs/dbraw/zinc/77/90/91/399779091.db2.gz	YOTTWYBMXSCSQU-AWEZNQCLSA-N	0	3	319.424	2.791	20	30		DFEDHN
C=CCCOc1ccccc1-c1cnc(N2CCNCC2)nc1	ZINC000630052073	399802828	/nfs/dbraw/zinc/80/28/28/399802828.db2.gz	DJJQGDVILIHBPT-UHFFFAOYSA-N	0	3	310.401	2.508	20	30		DFEDHN
C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-]	ZINC000289881884	335066952	/nfs/dbraw/zinc/06/69/52/335066952.db2.gz	SARSNQDKJXYOMU-ONGXEEELSA-N	0	3	300.196	2.661	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNCc1cn(C(C)C)nn1)C(C)C	ZINC000289928202	335067215	/nfs/dbraw/zinc/06/72/15/335067215.db2.gz	ZXXRNQDSHSBXSK-KRWDZBQOSA-N	0	3	305.470	2.647	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNCc1cn(C(C)C)nn1)C(C)C	ZINC000289928206	335067225	/nfs/dbraw/zinc/06/72/25/335067225.db2.gz	ZXXRNQDSHSBXSK-QGZVFWFLSA-N	0	3	305.470	2.647	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21	ZINC000293026476	543019124	/nfs/dbraw/zinc/01/91/24/543019124.db2.gz	KZBYKYKLUTUYKH-IAGOWNOFSA-N	0	3	311.429	2.685	20	30		DFEDHN
O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CCCOc2ccccc21	ZINC000329451446	543103940	/nfs/dbraw/zinc/10/39/40/543103940.db2.gz	MBQSTONAHXUAEA-CJNGLKHVSA-N	0	3	315.417	2.641	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N2CCCC23CCN(C)CC3)c1	ZINC000333729714	543121293	/nfs/dbraw/zinc/12/12/93/543121293.db2.gz	WJGNXSQCBFUYSQ-UHFFFAOYSA-N	0	3	312.417	2.959	20	30		DFEDHN
CC(C)[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1	ZINC000072837241	145190930	/nfs/dbraw/zinc/19/09/30/145190930.db2.gz	VNJKWCRUBLQLDL-MRXNPFEDSA-N	0	3	317.458	2.960	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)o1	ZINC000174403765	145379367	/nfs/dbraw/zinc/37/93/67/145379367.db2.gz	UDPUFMQHGYSAJA-KDOFPFPSSA-N	0	3	310.401	2.546	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1OC	ZINC000633378124	399895338	/nfs/dbraw/zinc/89/53/38/399895338.db2.gz	BNABHPQJOWEYFL-ZBFHGGJFSA-N	0	3	318.417	2.677	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccnn2CC2CCC2)nc(C)n1	ZINC000633900517	399959079	/nfs/dbraw/zinc/95/90/79/399959079.db2.gz	QPNUZWQBFKJEGH-AWEZNQCLSA-N	0	3	309.373	2.580	20	30		DFEDHN
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CCCC#N	ZINC000424095402	543342073	/nfs/dbraw/zinc/34/20/73/543342073.db2.gz	NMKRLHFGVRDGAV-ZDUSSCGKSA-N	0	3	314.216	2.973	20	30		DFEDHN
C[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000245428306	146069512	/nfs/dbraw/zinc/06/95/12/146069512.db2.gz	MLVBKUMBMSWLBT-MOXGXCLJSA-N	0	3	322.408	2.991	20	30		DFEDHN
N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3nccs3)C2)cc1	ZINC000246022512	146114557	/nfs/dbraw/zinc/11/45/57/146114557.db2.gz	MPSMPCYVTNWRMF-CVEARBPZSA-N	0	3	313.426	2.928	20	30		DFEDHN
Cc1ccc(N2CCCN([C@H](C)c3cccc(C#N)c3)CC2)nn1	ZINC000248959946	146180194	/nfs/dbraw/zinc/18/01/94/146180194.db2.gz	QVYVUWKJGYWXLH-MRXNPFEDSA-N	0	3	321.428	2.930	20	30		DFEDHN
C#CCN(C)CCCNC(=S)N[C@H](CC)c1cccs1	ZINC000491673840	543407010	/nfs/dbraw/zinc/40/70/10/543407010.db2.gz	JOVMKUGMDJTCJE-CYBMUJFWSA-N	0	3	309.504	2.618	20	30		DFEDHN
Cc1nc(N(C)CCCN(C)Cc2ccncc2)ccc1C#N	ZINC000603404348	543472335	/nfs/dbraw/zinc/47/23/35/543472335.db2.gz	ZILPYGOYCPKIJD-UHFFFAOYSA-N	0	3	309.417	2.615	20	30		DFEDHN
N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCc2ncnn2C1	ZINC000360648796	148898688	/nfs/dbraw/zinc/89/86/88/148898688.db2.gz	SOIKHXDDMQNINB-WBVHZDCISA-N	0	3	307.401	2.522	20	30		DFEDHN
Cc1ccc(CN(C)C)cc1NC(=O)CNc1ccc(C#N)cc1	ZINC000361207262	149054265	/nfs/dbraw/zinc/05/42/65/149054265.db2.gz	SXBBXKFDJQWETH-UHFFFAOYSA-N	0	3	322.412	2.979	20	30		DFEDHN
CN(CC1CCN(c2ccncc2)CC1)c1cccnc1C#N	ZINC000368128282	149686774	/nfs/dbraw/zinc/68/67/74/149686774.db2.gz	YZAVWHARUSPWIW-UHFFFAOYSA-N	0	3	307.401	2.701	20	30		DFEDHN
Cc1ccc(C#N)c(N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)n1	ZINC000371311711	150020919	/nfs/dbraw/zinc/02/09/19/150020919.db2.gz	YUDKCWCQPIWFEI-RRQGHBQHSA-N	0	3	314.433	2.563	20	30		DFEDHN
COc1ccc(CNC[C@H]2OCCc3ccccc32)cc1C#N	ZINC000371799674	150097731	/nfs/dbraw/zinc/09/77/31/150097731.db2.gz	RZZSBAWCWBGMGM-LJQANCHMSA-N	0	3	308.381	2.970	20	30		DFEDHN
COc1ccc([C@H](O)[C@@H]2CCCN2Cc2ccc(C#N)o2)cc1	ZINC000374256239	150331760	/nfs/dbraw/zinc/33/17/60/150331760.db2.gz	NAWUHNYUMPVXBZ-ROUUACIJSA-N	0	3	312.369	2.858	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@H]1COc2ccccc21	ZINC000185607013	158065038	/nfs/dbraw/zinc/06/50/38/158065038.db2.gz	ZUFRTJNKKHJCAI-CXAGYDPISA-N	0	3	321.380	2.651	20	30		DFEDHN
C[C@H](NCC(=O)Nc1cccc(C#N)c1)[C@@H]1COc2ccccc21	ZINC000185619226	158066405	/nfs/dbraw/zinc/06/64/05/158066405.db2.gz	XIDGPEKCFWONKE-GUYCJALGSA-N	0	3	321.380	2.651	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)CSc1ccc(C#N)cc1	ZINC000103069332	286830801	/nfs/dbraw/zinc/83/08/01/286830801.db2.gz	VXZBWMWSDBPPOM-AWEZNQCLSA-N	0	3	317.458	2.641	20	30		DFEDHN
CC[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000366390227	287207361	/nfs/dbraw/zinc/20/73/61/287207361.db2.gz	UZJZJQIAVIDENP-KVSKMBFKSA-N	0	3	313.445	2.662	20	30		DFEDHN
C=CCS(=O)(=O)CCN[C@@H]1CCCc2c3ccccc3[nH]c21	ZINC000290282793	335070782	/nfs/dbraw/zinc/07/07/82/335070782.db2.gz	MJHRMKQLHPMHAP-MRXNPFEDSA-N	0	3	318.442	2.736	20	30		DFEDHN
Cc1c(C#N)c(N2CC[C@@]3(CCN(C)C3)C2)nc2ccccc12	ZINC000295693999	225133155	/nfs/dbraw/zinc/13/31/55/225133155.db2.gz	PAHXCLKIAWIJIR-LJQANCHMSA-N	0	3	306.413	2.947	20	30		DFEDHN
C=CCCCCCN(C)C(=O)Nc1cnc2c(c1)CNCC2	ZINC000667797008	543681633	/nfs/dbraw/zinc/68/16/33/543681633.db2.gz	AREQERNAMAPIJM-UHFFFAOYSA-N	0	3	302.422	2.937	20	30		DFEDHN
C=CCN(CCOC)C[C@@H]1CCCO[C@H]1c1ccnn1CC	ZINC000668054722	543731031	/nfs/dbraw/zinc/73/10/31/543731031.db2.gz	DNSIKHBAEJYPPH-DOTOQJQBSA-N	0	3	307.438	2.505	20	30		DFEDHN
C=CC[C@H]1CCCN(Cc2ccc(N(C)CCOC)nc2)C1	ZINC000668494055	543814608	/nfs/dbraw/zinc/81/46/08/543814608.db2.gz	VCSDCSXWRKTYQZ-INIZCTEOSA-N	0	3	303.450	2.952	20	30		DFEDHN
C=CCc1cc(CN(C)CC2=CCCOC2)cc(OC)c1O	ZINC000668568909	543828646	/nfs/dbraw/zinc/82/86/46/543828646.db2.gz	NNHIEMSEYUDPMD-UHFFFAOYSA-N	0	3	303.402	2.908	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1	ZINC000668369052	543798617	/nfs/dbraw/zinc/79/86/17/543798617.db2.gz	NHAGLKWPFLCZPE-ZWKOTPCHSA-N	0	3	314.429	2.565	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN[C@@H]2CCc3c2cccc3O)cc1	ZINC000296736399	226177688	/nfs/dbraw/zinc/17/76/88/226177688.db2.gz	OFBYPWRFXOXHIL-QGZVFWFLSA-N	0	3	321.380	2.870	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H]([C@@H]3CNC(=O)C3)C2)cc1	ZINC000671442878	544072458	/nfs/dbraw/zinc/07/24/58/544072458.db2.gz	JPZMOOSQVGYFKF-SJORKVTESA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCOc1cccc(CN2CCC[C@H]([C@@H]3CNC(=O)C3)C2)c1	ZINC000671443536	544072583	/nfs/dbraw/zinc/07/25/83/544072583.db2.gz	UPLURYNRPWMXJR-IRXDYDNUSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@H]([C@@H]2CNC(=O)C2)C1	ZINC000671444623	544073503	/nfs/dbraw/zinc/07/35/03/544073503.db2.gz	ZJDCUZIMBFNNRK-RDJZCZTQSA-N	0	3	314.429	2.600	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCc3occc3C2)CC1	ZINC000291079482	335078483	/nfs/dbraw/zinc/07/84/83/335078483.db2.gz	TUVACFDKYARLOS-UHFFFAOYSA-N	0	3	317.433	2.778	20	30		DFEDHN
C#Cc1ccccc1CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000290791644	335075417	/nfs/dbraw/zinc/07/54/17/335075417.db2.gz	DQUUFSBRFSUGBY-LJQANCHMSA-N	0	3	324.399	2.769	20	30		DFEDHN
C=CCCOCC(=O)N(Cc1ccccc1)C1CCN(C)CC1	ZINC000674544688	544245072	/nfs/dbraw/zinc/24/50/72/544245072.db2.gz	KFNCMGSTCDHSCC-UHFFFAOYSA-N	0	3	316.445	2.702	20	30		DFEDHN
C=CCCOCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000674100153	544220331	/nfs/dbraw/zinc/22/03/31/544220331.db2.gz	XRNNZPBXODNXGC-WMZOPIPTSA-N	0	3	316.445	2.606	20	30		DFEDHN
COCC#CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1	ZINC000677818092	544545660	/nfs/dbraw/zinc/54/56/60/544545660.db2.gz	UTJXGOJSPAHQQT-UHFFFAOYSA-N	0	3	315.392	2.730	20	30		DFEDHN
Cn1cc(C2CCN(CCOc3ccccc3C#N)CC2)cn1	ZINC000299649721	229300055	/nfs/dbraw/zinc/30/00/55/229300055.db2.gz	XWKQAZRTEXOXON-UHFFFAOYSA-N	0	3	310.401	2.550	20	30		DFEDHN
CC(C)(C)C[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000057862683	425897181	/nfs/dbraw/zinc/89/71/81/425897181.db2.gz	SUVUMZSKORBWKI-OAHLLOKOSA-N	0	3	304.438	2.543	20	30		DFEDHN
CN(C)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccccc1	ZINC000060954541	425899172	/nfs/dbraw/zinc/89/91/72/425899172.db2.gz	OSEWBXKSZOUYJX-SFHVURJKSA-N	0	3	322.412	2.660	20	30		DFEDHN
Cc1ccccc1CCN(C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000451171557	269920269	/nfs/dbraw/zinc/92/02/69/269920269.db2.gz	SVBGFELLMPDHNX-LJQANCHMSA-N	0	3	324.424	2.781	20	30		DFEDHN
C=CCOc1cccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1	ZINC000291799884	335085775	/nfs/dbraw/zinc/08/57/75/335085775.db2.gz	XBYNKPBIVVASHE-IAGOWNOFSA-N	0	3	323.458	2.697	20	30		DFEDHN
N#Cc1cccc(CNCCNC(=O)CCCc2ccccc2)c1	ZINC000424182653	270000823	/nfs/dbraw/zinc/00/08/23/270000823.db2.gz	ARKIZDMSAOSKKG-UHFFFAOYSA-N	0	3	321.424	2.787	20	30		DFEDHN
CCN1CCN([C@@H](C)CNc2cccc(Cl)c2C#N)CC1	ZINC000450255790	270001151	/nfs/dbraw/zinc/00/11/51/270001151.db2.gz	DAAIIVSEGNOUEX-ZDUSSCGKSA-N	0	3	306.841	2.650	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)NCCN2CCCC[C@@H]2C)c1	ZINC000456014277	270001787	/nfs/dbraw/zinc/00/17/87/270001787.db2.gz	XNEDKUIIALMASX-AWEZNQCLSA-N	0	3	300.406	2.863	20	30		DFEDHN
CCN1C[C@H](C)N(CCCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000347695596	266160412	/nfs/dbraw/zinc/16/04/12/266160412.db2.gz	VEJZEVJFWVCOCM-HOTGVXAUSA-N	0	3	301.434	2.742	20	30		DFEDHN
CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1	ZINC000342074008	266164179	/nfs/dbraw/zinc/16/41/79/266164179.db2.gz	ZQCOVPLCGFEQIV-HNNXBMFYSA-N	0	3	303.381	2.578	20	30		DFEDHN
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)o1	ZINC000343650970	266572908	/nfs/dbraw/zinc/57/29/08/266572908.db2.gz	ABAHMHKGPTVUOS-UHFFFAOYSA-N	0	3	311.385	2.792	20	30		DFEDHN
C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)cc1Cl	ZINC000345680459	267021257	/nfs/dbraw/zinc/02/12/57/267021257.db2.gz	FIRFNEBKSVOIOC-LLVKDONJSA-N	0	3	306.797	2.770	20	30		DFEDHN
C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1	ZINC000345454895	267025939	/nfs/dbraw/zinc/02/59/39/267025939.db2.gz	PNEXQRRGGBQDJH-CRAIPNDOSA-N	0	3	313.445	2.885	20	30		DFEDHN
CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)C	ZINC000451430548	267033261	/nfs/dbraw/zinc/03/32/61/267033261.db2.gz	CZPVLCXBDUYMEG-CQSZACIVSA-N	0	3	323.462	2.531	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cncc(C#N)n1	ZINC000401179428	267055724	/nfs/dbraw/zinc/05/57/24/267055724.db2.gz	AGHRWQJDNQNMMU-RHSMWYFYSA-N	0	3	307.401	2.671	20	30		DFEDHN
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cncc(C#N)n1	ZINC000401179427	267056284	/nfs/dbraw/zinc/05/62/84/267056284.db2.gz	AGHRWQJDNQNMMU-PBHICJAKSA-N	0	3	307.401	2.671	20	30		DFEDHN
CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1cncc(C#N)n1	ZINC000420605002	267069964	/nfs/dbraw/zinc/06/99/64/267069964.db2.gz	TZZPQVWFNXDFTD-KRWDZBQOSA-N	0	3	321.428	2.697	20	30		DFEDHN
C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1cncs1	ZINC000338921673	267175073	/nfs/dbraw/zinc/17/50/73/267175073.db2.gz	UJLFCYOZUHYXBJ-SMDDNHRTSA-N	0	3	310.382	2.574	20	30		DFEDHN
CC[C@H](NCc1ccc(C#N)c(F)c1)C1(C(=O)OC)CCC1	ZINC000453362466	267222032	/nfs/dbraw/zinc/22/20/32/267222032.db2.gz	BELKIOPKNVVRNG-HNNXBMFYSA-N	0	3	304.365	2.909	20	30		DFEDHN
CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1	ZINC000421363040	267242116	/nfs/dbraw/zinc/24/21/16/267242116.db2.gz	KLXMKHIOHDHJJI-PZPWOCDFSA-N	0	3	308.422	2.867	20	30		DFEDHN
C[C@H]1CN2CCCC[C@H]2CN1Cc1cn2ccccc2c1C#N	ZINC000343914405	267242195	/nfs/dbraw/zinc/24/21/95/267242195.db2.gz	FPYHCZGNKMZRBX-RDJZCZTQSA-N	0	3	308.429	2.870	20	30		DFEDHN
C[C@H]1[C@H](C)N(Cc2ccc(C#N)cc2Br)CCN1C	ZINC000351067515	267252621	/nfs/dbraw/zinc/25/26/21/267252621.db2.gz	WAGFHHNURYLSRV-RYUDHWBXSA-N	0	3	322.250	2.845	20	30		DFEDHN
CN(C)C[C@H]1CCCCN1C(=O)CSc1ccc(C#N)cc1	ZINC000517079068	267282741	/nfs/dbraw/zinc/28/27/41/267282741.db2.gz	CULCWHNQDVROHY-OAHLLOKOSA-N	0	3	317.458	2.593	20	30		DFEDHN
CN(C[C@H]1CCCN(C)C1)c1ccc(C(F)(F)F)c(C#N)n1	ZINC000443505838	267309004	/nfs/dbraw/zinc/30/90/04/267309004.db2.gz	ATXQYDANJPMUGC-NSHDSACASA-N	0	3	312.339	2.750	20	30		DFEDHN
CN(C[C@H]1CCCN1C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000421710246	267309156	/nfs/dbraw/zinc/30/91/56/267309156.db2.gz	JOMDZQOPCMCAAH-MRXNPFEDSA-N	0	3	317.408	2.528	20	30		DFEDHN
CN1CC=C(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000455999849	267332331	/nfs/dbraw/zinc/33/23/31/267332331.db2.gz	SGRVKVHPHLGTHG-UHFFFAOYSA-N	0	3	311.429	2.505	20	30		DFEDHN
CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc(C#N)c1	ZINC000447894250	267334076	/nfs/dbraw/zinc/33/40/76/267334076.db2.gz	CIQYMUNHDKFNAF-HNNXBMFYSA-N	0	3	300.406	2.800	20	30		DFEDHN
CN1CC[C@H]2[C@@H](CCCN2C(=O)C2(c3cccc(C#N)c3)CC2)C1	ZINC000435257810	267341373	/nfs/dbraw/zinc/34/13/73/267341373.db2.gz	OGUAZZOUDZBPFT-WMZOPIPTSA-N	0	3	323.440	2.533	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)C1CN(C2CCCCC2)C1	ZINC000457775004	267353349	/nfs/dbraw/zinc/35/33/49/267353349.db2.gz	CBGOJSXBMUBAFK-UHFFFAOYSA-N	0	3	312.417	2.803	20	30		DFEDHN
COC(=O)CCC1CCN(CCOc2ccccc2C#N)CC1	ZINC000531241361	267360411	/nfs/dbraw/zinc/36/04/11/267360411.db2.gz	YYXJTYDQQVYSNP-UHFFFAOYSA-N	0	3	316.401	2.602	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H]1C(C)C	ZINC000429393833	267385951	/nfs/dbraw/zinc/38/59/51/267385951.db2.gz	MBZIQGOTSQPCCL-HOCLYGCPSA-N	0	3	304.365	2.717	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2F)[C@H]1C(C)C	ZINC000429359752	267387907	/nfs/dbraw/zinc/38/79/07/267387907.db2.gz	DTOJSRIZPFQLLG-HOCLYGCPSA-N	0	3	304.365	2.717	20	30		DFEDHN
CO[C@@H]1C[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1(C)C	ZINC000451485371	267535252	/nfs/dbraw/zinc/53/52/52/267535252.db2.gz	CQLQLOPISREAGF-UONOGXRCSA-N	0	3	321.808	2.553	20	30		DFEDHN
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](O)COc1ccccc1C#N	ZINC000530232058	267790753	/nfs/dbraw/zinc/79/07/53/267790753.db2.gz	WISDOCZRRACVQK-CFLQYTFWSA-N	0	3	322.408	2.821	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCCC[C@H]1C	ZINC000488627289	267823843	/nfs/dbraw/zinc/82/38/43/267823843.db2.gz	QXWLNTTWLSMSMW-CHWSQXEVSA-N	0	3	303.381	2.690	20	30		DFEDHN
COC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1	ZINC000041497834	425852081	/nfs/dbraw/zinc/85/20/81/425852081.db2.gz	DVUYBFJFJWGUDS-CYBMUJFWSA-N	0	3	319.320	2.840	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCCS2)cc1	ZINC000348421103	268084770	/nfs/dbraw/zinc/08/47/70/268084770.db2.gz	MCAVFKQBNNSURM-JKSUJKDBSA-N	0	3	313.426	2.642	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC2CCC(F)(F)CC2)cc1	ZINC000348427484	268084791	/nfs/dbraw/zinc/08/47/91/268084791.db2.gz	ZDGSQQBFAOBVKF-AWEZNQCLSA-N	0	3	317.339	2.935	20	30		DFEDHN
N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCCS2)cc1	ZINC000348421075	268091456	/nfs/dbraw/zinc/09/14/56/268091456.db2.gz	MCAVFKQBNNSURM-CVEARBPZSA-N	0	3	313.426	2.642	20	30		DFEDHN
N#Cc1c2c(cnc1N1CCC[C@@H]1CN1CCCCC1)CCC2	ZINC000425236489	268169241	/nfs/dbraw/zinc/16/92/41/268169241.db2.gz	FQDJBUXTTQIGQN-MRXNPFEDSA-N	0	3	310.445	2.897	20	30		DFEDHN
C=CCOc1ccccc1C(=O)NCCN1CCC(C)CC1	ZINC000048230740	425873827	/nfs/dbraw/zinc/87/38/27/425873827.db2.gz	URAQTGUFHHIPST-UHFFFAOYSA-N	0	3	302.418	2.713	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCO[C@H]3c3ccccc3)n2c1	ZINC000342786024	268225126	/nfs/dbraw/zinc/22/51/26/268225126.db2.gz	YEDUHDPGPPTDSC-MJGOQNOKSA-N	0	3	318.380	2.826	20	30		DFEDHN
N#Cc1ccc(CNCCC(=O)NC2CCCCC2)cc1F	ZINC000421324460	268231990	/nfs/dbraw/zinc/23/19/90/268231990.db2.gz	KBZNGHXSZMBERK-UHFFFAOYSA-N	0	3	303.381	2.626	20	30		DFEDHN
N#Cc1ccc(CNCCCN2CCCCCC2=O)cc1F	ZINC000421336690	268232249	/nfs/dbraw/zinc/23/22/49/268232249.db2.gz	XJVQBSIKRKURHO-UHFFFAOYSA-N	0	3	303.381	2.580	20	30		DFEDHN
N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c(Br)c1	ZINC000420233323	268237865	/nfs/dbraw/zinc/23/78/65/268237865.db2.gz	FACKYUAFDBKDAZ-TXEJJXNPSA-N	0	3	306.207	2.651	20	30		DFEDHN
N#Cc1cccc(CCN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)c1	ZINC000340536184	268244875	/nfs/dbraw/zinc/24/48/75/268244875.db2.gz	XXIJTSRSQNSHIC-GOSISDBHSA-N	0	3	321.359	2.737	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CCN2CCc3ccccc3C2)c1	ZINC000348974679	268250020	/nfs/dbraw/zinc/25/00/20/268250020.db2.gz	VSAQMZZHBGDEBO-UHFFFAOYSA-N	0	3	319.408	2.623	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@@H](c2ccccc2)C2CC2)C(N)=O)cc1	ZINC000431113122	268261999	/nfs/dbraw/zinc/26/19/99/268261999.db2.gz	RTRUYCACXGLQDM-RBUKOAKNSA-N	0	3	319.408	2.868	20	30		DFEDHN
N#Cc1ccnc(N2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1	ZINC000367517682	268295850	/nfs/dbraw/zinc/29/58/50/268295850.db2.gz	DBGNUAKMWPQUSY-QZTJIDSGSA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1ccsc1C(=O)N1CCCN(CC2CCC2)CC1	ZINC000351029835	268301285	/nfs/dbraw/zinc/30/12/85/268301285.db2.gz	ZVAHBWMWBFQHRT-UHFFFAOYSA-N	0	3	303.431	2.568	20	30		DFEDHN
N#Cc1c(Cl)cccc1N1CCN(CC2CCOCC2)CC1	ZINC000297048836	268308610	/nfs/dbraw/zinc/30/86/10/268308610.db2.gz	IHOOGOZYESIPBY-UHFFFAOYSA-N	0	3	319.836	2.760	20	30		DFEDHN
C=C(C)COCCNCc1cc2c(cc1SC)OCCO2	ZINC000125783337	425990048	/nfs/dbraw/zinc/99/00/48/425990048.db2.gz	QJUWWBDJAIOEQQ-UHFFFAOYSA-N	0	3	309.431	2.862	20	30		DFEDHN
N#Cc1ccc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)nc1	ZINC000107455567	425991913	/nfs/dbraw/zinc/99/19/13/425991913.db2.gz	QFKLTGIVGBGEDN-INIZCTEOSA-N	0	3	318.380	2.578	20	30		DFEDHN
C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c(F)cc(C#N)cc1F	ZINC000125988304	425999582	/nfs/dbraw/zinc/99/95/82/425999582.db2.gz	MUVOYYSBIIBONE-NWDGAFQWSA-N	0	3	321.371	2.687	20	30		DFEDHN
CC#CCCNCc1cc(Br)c2c(c1)OCCO2	ZINC000158357061	425941960	/nfs/dbraw/zinc/94/19/60/425941960.db2.gz	WBULBMNHUGYKEH-UHFFFAOYSA-N	0	3	310.191	2.723	20	30		DFEDHN
C#CCOc1ccccc1CNCCc1ccc(NC(C)=O)cc1	ZINC000103346378	425943848	/nfs/dbraw/zinc/94/38/48/425943848.db2.gz	UGHVEDUUEJFIBJ-UHFFFAOYSA-N	0	3	322.408	2.989	20	30		DFEDHN
Cc1ccc(C#N)cc1NC(=O)NCCN1CCCC[C@H]1C	ZINC000069606849	425948586	/nfs/dbraw/zinc/94/85/86/425948586.db2.gz	HLHGQIZAGLEVLV-CQSZACIVSA-N	0	3	300.406	2.863	20	30		DFEDHN
C[C@H](NC(=O)N(C)CC1CCN(C)CC1)c1ccc(C#N)cc1	ZINC000103513025	425951758	/nfs/dbraw/zinc/95/17/58/425951758.db2.gz	GSZMOGXBESGRRZ-AWEZNQCLSA-N	0	3	314.433	2.602	20	30		DFEDHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cnnc3)cc2)n1	ZINC000105754013	425969768	/nfs/dbraw/zinc/96/97/68/425969768.db2.gz	ASRZFYYWZKNZEC-CYBMUJFWSA-N	0	3	309.354	2.522	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H]2CCOc3ccccc32)CC1	ZINC000106034471	425970184	/nfs/dbraw/zinc/97/01/84/425970184.db2.gz	LDNOHCHAAMNJTH-QGZVFWFLSA-N	0	3	314.429	2.709	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1	ZINC000106038495	425970603	/nfs/dbraw/zinc/97/06/03/425970603.db2.gz	UOOHJYUXBOOCPC-UHFFFAOYSA-N	0	3	324.428	2.847	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1	ZINC000106039964	425970746	/nfs/dbraw/zinc/97/07/46/425970746.db2.gz	ULZISSUZJAGGLL-VMPITWQZSA-N	0	3	302.393	2.996	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1	ZINC000106036611	425970778	/nfs/dbraw/zinc/97/07/78/425970778.db2.gz	MBCASFMWJBZTLX-UHFFFAOYSA-N	0	3	324.428	2.643	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2cccnc2OCC)CC1	ZINC000106252960	425971723	/nfs/dbraw/zinc/97/17/23/425971723.db2.gz	NDCOSGYNZBGXRJ-UHFFFAOYSA-N	0	3	318.421	2.642	20	30		DFEDHN
COc1cccc([C@@H](CNCc2ccc(C#N)cc2)N(C)C)c1	ZINC000070742661	425974395	/nfs/dbraw/zinc/97/43/95/425974395.db2.gz	GNMGEQSURKEEBC-LJQANCHMSA-N	0	3	309.413	2.959	20	30		DFEDHN
N#Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1	ZINC000070928372	425978250	/nfs/dbraw/zinc/97/82/50/425978250.db2.gz	FATDKRQDDXOXNB-UHFFFAOYSA-N	0	3	320.396	2.600	20	30		DFEDHN
C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1	ZINC000126557406	426025922	/nfs/dbraw/zinc/02/59/22/426025922.db2.gz	BIFIJIFRMUQHHY-ZBFHGGJFSA-N	0	3	307.401	2.813	20	30		DFEDHN
C=CCC[C@H](O)CN(CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000126782928	426036156	/nfs/dbraw/zinc/03/61/56/426036156.db2.gz	DIKMDENCHYAQPK-KRWDZBQOSA-N	0	3	304.434	2.537	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1	ZINC000074130251	426041568	/nfs/dbraw/zinc/04/15/68/426041568.db2.gz	KJEHTKAISSSXND-MAUKXSAKSA-N	0	3	323.481	2.530	20	30		DFEDHN
Cc1ccccc1CN1CCN(CCCSCC#N)CC1	ZINC000074980478	426059848	/nfs/dbraw/zinc/05/98/48/426059848.db2.gz	RTKOSRFKMZBTMK-UHFFFAOYSA-N	0	3	303.475	2.760	20	30		DFEDHN
CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000075005965	426060202	/nfs/dbraw/zinc/06/02/02/426060202.db2.gz	DYDJNOLFTVMRPW-MRXNPFEDSA-N	0	3	315.417	2.999	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](OCCC)CC1	ZINC000108391810	426015499	/nfs/dbraw/zinc/01/54/99/426015499.db2.gz	HTKLBWWMTRLKPA-DLBZAZTESA-N	0	3	308.466	2.857	20	30		DFEDHN
CC[C@H]1CCCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163147770	426091374	/nfs/dbraw/zinc/09/13/74/426091374.db2.gz	CZWMRKRCYIRREW-RDJZCZTQSA-N	0	3	320.458	2.890	20	30		DFEDHN
CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(C#N)c2)C1	ZINC000113343211	426113443	/nfs/dbraw/zinc/11/34/43/426113443.db2.gz	XSRXOFNHFRWBDS-HNNXBMFYSA-N	0	3	301.390	2.657	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1	ZINC000128421520	426116905	/nfs/dbraw/zinc/11/69/05/426116905.db2.gz	QVCQIOHZUWSMFL-HOCLYGCPSA-N	0	3	310.401	2.700	20	30		DFEDHN
C#CCCOc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1	ZINC000128505575	426120197	/nfs/dbraw/zinc/12/01/97/426120197.db2.gz	SBKHWGPIOICKPA-SFHVURJKSA-N	0	3	324.428	2.592	20	30		DFEDHN
C=CCOc1ccccc1CN1CCC[C@@H](Cn2cncn2)C1	ZINC000128542890	426122529	/nfs/dbraw/zinc/12/25/29/426122529.db2.gz	CTNVMYQXVXYIQN-MRXNPFEDSA-N	0	3	312.417	2.755	20	30		DFEDHN
CCCN1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000112422308	426077792	/nfs/dbraw/zinc/07/77/92/426077792.db2.gz	OEPWOSFUEPALDE-UHFFFAOYSA-N	0	3	300.406	2.816	20	30		DFEDHN
C=CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000116972659	426203632	/nfs/dbraw/zinc/20/36/32/426203632.db2.gz	UJEJXPFENFWYJS-INIZCTEOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1	ZINC000077805402	426150535	/nfs/dbraw/zinc/15/05/35/426150535.db2.gz	FOBYVWFOTGDLTP-LSDHHAIUSA-N	0	3	314.433	2.793	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000077805404	426150858	/nfs/dbraw/zinc/15/08/58/426150858.db2.gz	FOBYVWFOTGDLTP-HUUCEWRRSA-N	0	3	314.433	2.793	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sccc2OC(F)F)CC1	ZINC000171716145	426206808	/nfs/dbraw/zinc/20/68/08/426206808.db2.gz	BPRXAKIRKCYPGW-UHFFFAOYSA-N	0	3	316.373	2.730	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2cccc(-n3cccc3)c2)CC1	ZINC000171018559	426164419	/nfs/dbraw/zinc/16/44/19/426164419.db2.gz	ICIBVJJLCOAJAZ-UHFFFAOYSA-N	0	3	307.397	2.761	20	30		DFEDHN
Cc1ccccc1C(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000115599017	426169506	/nfs/dbraw/zinc/16/95/06/426169506.db2.gz	PMTVKRZMENBYMO-SFHVURJKSA-N	0	3	321.424	2.961	20	30		DFEDHN
CCN(CCNC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1	ZINC000132776146	426171331	/nfs/dbraw/zinc/17/13/31/426171331.db2.gz	YJZUHDGBKRETNK-QGZVFWFLSA-N	0	3	314.433	2.815	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CCCO[C@@H](C)C1)C(C)C	ZINC000171308159	426183563	/nfs/dbraw/zinc/18/35/63/426183563.db2.gz	OAOFMARPJIGJLW-DLBZAZTESA-N	0	3	323.481	2.505	20	30		DFEDHN
CC(C)CN1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000171347997	426185219	/nfs/dbraw/zinc/18/52/19/426185219.db2.gz	VQPGHGGABISUHH-UHFFFAOYSA-N	0	3	301.434	2.601	20	30		DFEDHN
C=CC[C@H](C)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000116854915	426199700	/nfs/dbraw/zinc/19/97/00/426199700.db2.gz	BVJJVUPPVOGXJV-INIZCTEOSA-N	0	3	315.461	2.911	20	30		DFEDHN
N#Cc1ccc(C(F)(F)F)nc1N1CCCN(C2CC2)CC1	ZINC000172278064	426224029	/nfs/dbraw/zinc/22/40/29/426224029.db2.gz	TXOUFDRNKMRTJL-UHFFFAOYSA-N	0	3	310.323	2.647	20	30		DFEDHN
C=CCCCN(C)CCCOc1cccc(S(C)(=O)=O)c1	ZINC000117875460	426225481	/nfs/dbraw/zinc/22/54/81/426225481.db2.gz	NBBZODMEBLNGBH-UHFFFAOYSA-N	0	3	311.447	2.757	20	30		DFEDHN
C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(C#N)cs2)C1	ZINC000084182599	426234151	/nfs/dbraw/zinc/23/41/51/426234151.db2.gz	FSEREYSAVGSGEB-LBPRGKRZSA-N	0	3	305.447	2.860	20	30		DFEDHN
C[C@@H](c1ccc(C#N)cc1)N1CCC(Nc2cccnn2)CC1	ZINC000118397954	426234790	/nfs/dbraw/zinc/23/47/90/426234790.db2.gz	POEWNHKEQRGBCR-AWEZNQCLSA-N	0	3	307.401	2.986	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCS[C@@H](C)[C@@H]2C)CC1	ZINC000118481713	426237791	/nfs/dbraw/zinc/23/77/91/426237791.db2.gz	FPFVHZNFJXXHFO-KBPBESRZSA-N	0	3	311.495	2.562	20	30		DFEDHN
C=CCN(C)C(=O)NCC1(N2CCSCC2)CCCCC1	ZINC000119097024	426261742	/nfs/dbraw/zinc/26/17/42/426261742.db2.gz	DHTKEMJOUGKZCK-UHFFFAOYSA-N	0	3	311.495	2.566	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCc2cccc(F)c2F)CC1	ZINC000171716438	426207041	/nfs/dbraw/zinc/20/70/41/426207041.db2.gz	GLBGGRXVOBJBMG-UHFFFAOYSA-N	0	3	308.372	2.664	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCCOc2ccccc2F)CC1	ZINC000171715782	426207067	/nfs/dbraw/zinc/20/70/67/426207067.db2.gz	LEZZZPWHSLLRAW-UHFFFAOYSA-N	0	3	320.408	2.751	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccncc2)CC1	ZINC000171736741	426207653	/nfs/dbraw/zinc/20/76/53/426207653.db2.gz	CYPSOEODWIHEQM-QGZVFWFLSA-N	0	3	314.433	2.579	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000171755556	426209338	/nfs/dbraw/zinc/20/93/38/426209338.db2.gz	IKYRYSQDUGYGPR-GJZGRUSLSA-N	0	3	320.383	2.835	20	30		DFEDHN
CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)Cc1ccccc1	ZINC000117379811	426213257	/nfs/dbraw/zinc/21/32/57/426213257.db2.gz	WHUBCUDENXESPS-GOSISDBHSA-N	0	3	321.424	2.943	20	30		DFEDHN
C#CCCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000119625648	426300596	/nfs/dbraw/zinc/30/05/96/426300596.db2.gz	KJFLBURCDNVASP-UHFFFAOYSA-N	0	3	311.429	2.642	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)Oc2ccccc2F)CC1	ZINC000175588063	426316281	/nfs/dbraw/zinc/31/62/81/426316281.db2.gz	NGWZCTULAZUNBN-MRXNPFEDSA-N	0	3	320.408	2.750	20	30		DFEDHN
C=CCOc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1	ZINC000175592280	426316392	/nfs/dbraw/zinc/31/63/92/426316392.db2.gz	PADBGZPOQLVJES-MRXNPFEDSA-N	0	3	313.401	2.729	20	30		DFEDHN
CC(C)[C@@H](CNc1cnc(C#N)cn1)N1CCc2ccccc2C1	ZINC000121347699	426336710	/nfs/dbraw/zinc/33/67/10/426336710.db2.gz	RAGMQXVVOZOTHL-GOSISDBHSA-N	0	3	321.428	2.843	20	30		DFEDHN
C[C@H](CO[C@@H]1CCOC1)NCc1cccc(OCCCC#N)c1	ZINC000151227292	426285489	/nfs/dbraw/zinc/28/54/89/426285489.db2.gz	FEZQBBVQRCYLGX-CRAIPNDOSA-N	0	3	318.417	2.653	20	30		DFEDHN
C[C@@H](CN1CCCCC1)NC(=O)c1cccc(SCC#N)c1	ZINC000175998854	426345634	/nfs/dbraw/zinc/34/56/34/426345634.db2.gz	BDLGQKAYCBBPRE-AWEZNQCLSA-N	0	3	317.458	2.906	20	30		DFEDHN
C[C@@H]1CCCN(CCNC(=O)c2cccc(SCC#N)c2)C1	ZINC000176012521	426346412	/nfs/dbraw/zinc/34/64/12/426346412.db2.gz	FZUFJUPFTXAMAN-CQSZACIVSA-N	0	3	317.458	2.764	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(F)c(C#N)c2)CCN1C	ZINC000176088642	426350965	/nfs/dbraw/zinc/35/09/65/426350965.db2.gz	HMNRKIRCMRSPMY-SMDDNHRTSA-N	0	3	304.369	2.644	20	30		DFEDHN
Cc1cc(C#N)ccc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21	ZINC000121986468	426355829	/nfs/dbraw/zinc/35/58/29/426355829.db2.gz	PXNCGYPCDLCBGG-QGZVFWFLSA-N	0	3	319.408	3.000	20	30		DFEDHN
CCc1nsc(N2CCCN(CC(C)(C)CCC#N)CC2)n1	ZINC000093871672	426359275	/nfs/dbraw/zinc/35/92/75/426359275.db2.gz	DJZXIARLDHNKFJ-UHFFFAOYSA-N	0	3	321.494	2.943	20	30		DFEDHN
C#CCSCCNCc1cccc(OC)c1OC(F)F	ZINC000152927489	426362142	/nfs/dbraw/zinc/36/21/42/426362142.db2.gz	VLZMAYRIKUAAEI-UHFFFAOYSA-N	0	3	301.358	2.753	20	30		DFEDHN
CC(C)Oc1ccc(NC(=O)C2CCN(C)CC2)cc1C#N	ZINC000154014756	426418365	/nfs/dbraw/zinc/41/83/65/426418365.db2.gz	FXTVGBPMLDUNNZ-UHFFFAOYSA-N	0	3	301.390	2.626	20	30		DFEDHN
CN(CCNCc1cc(C#N)cs1)Cc1ccc(F)cc1	ZINC000176988595	426431353	/nfs/dbraw/zinc/43/13/53/426431353.db2.gz	SIZDPSIFXXDPHN-UHFFFAOYSA-N	0	3	303.406	2.980	20	30		DFEDHN
CCCN(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000123565313	426440673	/nfs/dbraw/zinc/44/06/73/426440673.db2.gz	MTAUJDXCGIGEEN-UHFFFAOYSA-N	0	3	312.335	2.515	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1	ZINC000123751642	426451290	/nfs/dbraw/zinc/45/12/90/426451290.db2.gz	GOQAMQXVWWLAMR-OAHLLOKOSA-N	0	3	312.392	2.886	20	30		DFEDHN
CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000186340270	426509167	/nfs/dbraw/zinc/50/91/67/426509167.db2.gz	WOVCXXIWISLGKE-UONOGXRCSA-N	0	3	321.446	2.742	20	30		DFEDHN
CCCCCCCS(=O)(=O)N1CC[C@H](CN2CCCC2)C1	ZINC000195292173	426511851	/nfs/dbraw/zinc/51/18/51/426511851.db2.gz	AHLYRCTVYBCJRE-MRXNPFEDSA-N	0	3	316.511	2.704	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C	ZINC000280179228	426512383	/nfs/dbraw/zinc/51/23/83/426512383.db2.gz	YCBFNEYUVKDWLB-DZOHQFGASA-N	0	3	316.445	2.775	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)NC1CCN(C2CC2)CC1	ZINC000272412432	426519770	/nfs/dbraw/zinc/51/97/70/426519770.db2.gz	FSRYRNPIKZVCCE-UHFFFAOYSA-N	0	3	317.433	2.647	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C)s1)C(C)C	ZINC000195456126	426526315	/nfs/dbraw/zinc/52/63/15/426526315.db2.gz	ONMWSAAHOXYMIO-AWEZNQCLSA-N	0	3	307.463	2.880	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CC)CCc2cccs2)CC1	ZINC000264344831	426540751	/nfs/dbraw/zinc/54/07/51/426540751.db2.gz	JQDDSRRNVUSCJH-UHFFFAOYSA-N	0	3	321.490	2.973	20	30		DFEDHN
Cc1cc(C#N)ccc1CN1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000186169816	426490792	/nfs/dbraw/zinc/49/07/92/426490792.db2.gz	DVPLAOYWZQJZBI-SFHVURJKSA-N	0	3	311.429	2.605	20	30		DFEDHN
CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1	ZINC000186199375	426493016	/nfs/dbraw/zinc/49/30/16/426493016.db2.gz	HRVVWIVPZYKJOO-KRWDZBQOSA-N	0	3	313.445	2.995	20	30		DFEDHN
CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(C#N)cc1	ZINC000194880264	426494726	/nfs/dbraw/zinc/49/47/26/426494726.db2.gz	YOMQRVZWLJKKHG-UHFFFAOYSA-N	0	3	321.424	2.691	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](CC)OC2CCCCC2)CC1	ZINC000177551878	426494997	/nfs/dbraw/zinc/49/49/97/426494997.db2.gz	YGUPIZAWOLKMRT-QGZVFWFLSA-N	0	3	308.466	2.881	20	30		DFEDHN
C[C@H](c1cccc(C#N)c1)N1CCN(CC2CCOCC2)CC1	ZINC000186282137	426500487	/nfs/dbraw/zinc/50/04/87/426500487.db2.gz	NDMMXLWRZZYWQW-MRXNPFEDSA-N	0	3	313.445	2.663	20	30		DFEDHN
C#CCCOc1ccc(CN(C)CCOCCCOC)cc1	ZINC000272349529	426502249	/nfs/dbraw/zinc/50/22/49/426502249.db2.gz	JZURNVBIMFGFBO-UHFFFAOYSA-N	0	3	305.418	2.574	20	30		DFEDHN
Cc1ccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)o1	ZINC000280045422	426503827	/nfs/dbraw/zinc/50/38/27/426503827.db2.gz	SKZUOTDPFNREJS-MRXNPFEDSA-N	0	3	307.353	2.801	20	30		DFEDHN
C#CCOc1cccc(NC(=O)N2CCCN(C(C)C)CC2)c1	ZINC000264526556	426568239	/nfs/dbraw/zinc/56/82/39/426568239.db2.gz	JDTDEPUVVNUQSE-UHFFFAOYSA-N	0	3	315.417	2.647	20	30		DFEDHN
N#CCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1	ZINC000264573272	426573414	/nfs/dbraw/zinc/57/34/14/426573414.db2.gz	SNIZAYPVAQBLKQ-UHFFFAOYSA-N	0	3	310.401	2.698	20	30		DFEDHN
N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCCC2)C1	ZINC000264629095	426575606	/nfs/dbraw/zinc/57/56/06/426575606.db2.gz	TVOZYBIPCVRMHP-HNNXBMFYSA-N	0	3	300.362	2.531	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)C(C)(C)C2)ccc1OC	ZINC000280494471	426587025	/nfs/dbraw/zinc/58/70/25/426587025.db2.gz	PBDCWDLECAKLQU-KRWDZBQOSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000264472841	426559066	/nfs/dbraw/zinc/55/90/66/426559066.db2.gz	NZPMABRDTMCUSO-UPJWGTAASA-N	0	3	317.393	2.640	20	30		DFEDHN
C=CCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1OC	ZINC000280717464	426639906	/nfs/dbraw/zinc/63/99/06/426639906.db2.gz	USFTTZQLBQYDHQ-JOCHJYFZSA-N	0	3	323.458	2.651	20	30		DFEDHN
C=CC[C@@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccccc1	ZINC000187290468	426645100	/nfs/dbraw/zinc/64/51/00/426645100.db2.gz	NGVGFBYHMYANCY-MRXNPFEDSA-N	0	3	312.417	2.743	20	30		DFEDHN
N#CC1(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CCC1	ZINC000265558962	426654612	/nfs/dbraw/zinc/65/46/12/426654612.db2.gz	DYBJPEDTCBAFQX-UHFFFAOYSA-N	0	3	323.440	2.730	20	30		DFEDHN
C=C(Cl)CNC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000265563335	426654661	/nfs/dbraw/zinc/65/46/61/426654661.db2.gz	MOOIOUWQCWFDNR-GFCCVEGCSA-N	0	3	313.854	2.937	20	30		DFEDHN
Cc1c(Cl)cnc(N2CCC[C@H]3CN(C)CC[C@@H]32)c1C#N	ZINC000273405544	426658201	/nfs/dbraw/zinc/65/82/01/426658201.db2.gz	WVILZRJGIPYQKS-WFASDCNBSA-N	0	3	304.825	2.836	20	30		DFEDHN
C=CCN(C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C	ZINC000187509402	426667483	/nfs/dbraw/zinc/66/74/83/426667483.db2.gz	PGHXBKYBJHOOMB-KRWDZBQOSA-N	0	3	303.450	2.970	20	30		DFEDHN
C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(OCC#N)cc1	ZINC000280929864	426687672	/nfs/dbraw/zinc/68/76/72/426687672.db2.gz	FIGVALNALMNODL-YEJXKQKISA-N	0	3	306.431	2.541	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C#N	ZINC000273236127	426622267	/nfs/dbraw/zinc/62/22/67/426622267.db2.gz	FETRAXOYVZEOPE-HZPDHXFCSA-N	0	3	302.418	2.796	20	30		DFEDHN
C#CCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1	ZINC000274093164	426716105	/nfs/dbraw/zinc/71/61/05/426716105.db2.gz	IVMHRNRAXRIREO-GOSISDBHSA-N	0	3	311.429	2.631	20	30		DFEDHN
C#CCOc1ccccc1NC(=O)N(C)C[C@@H]1CCCN(C)C1	ZINC000188068034	426719937	/nfs/dbraw/zinc/71/99/37/426719937.db2.gz	BMXOTQMWWMVKKM-OAHLLOKOSA-N	0	3	315.417	2.504	20	30		DFEDHN
C=CCSCCNCc1ccnn1-c1ccccc1OC	ZINC000281791570	426767154	/nfs/dbraw/zinc/76/71/54/426767154.db2.gz	UVFYPARURGHYRF-UHFFFAOYSA-N	0	3	303.431	2.890	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1	ZINC000245738264	426768762	/nfs/dbraw/zinc/76/87/62/426768762.db2.gz	LGFVEAHVCFSHID-UWWQBHOKSA-N	0	3	300.402	2.978	20	30		DFEDHN
CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2ccccc2C#N)C1(C)C	ZINC000266726022	426769663	/nfs/dbraw/zinc/76/96/63/426769663.db2.gz	UPUJXRUVRIFTLG-CDHAZOANSA-N	0	3	315.417	2.678	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1	ZINC000188651372	426772624	/nfs/dbraw/zinc/77/26/24/426772624.db2.gz	PDTWKBGHGRIHHP-ZHALLVOQSA-N	0	3	316.445	2.777	20	30		DFEDHN
C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCC(C)CC1	ZINC000188695088	426779584	/nfs/dbraw/zinc/77/95/84/426779584.db2.gz	RVCJVNBTDJHVEL-CYBMUJFWSA-N	0	3	303.381	2.548	20	30		DFEDHN
C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(OCC#N)c2)CCN1C	ZINC000266375210	426724914	/nfs/dbraw/zinc/72/49/14/426724914.db2.gz	LSVWENQOUGARNW-DZGCQCFKSA-N	0	3	316.405	2.535	20	30		DFEDHN
C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000266394746	426724939	/nfs/dbraw/zinc/72/49/39/426724939.db2.gz	GIDLDVCEXKQDGK-ZQIUZPCESA-N	0	3	314.433	2.743	20	30		DFEDHN
COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C#N	ZINC000245590833	426756123	/nfs/dbraw/zinc/75/61/23/426756123.db2.gz	KQWUXSKDTQIILJ-RHSMWYFYSA-N	0	3	310.401	2.846	20	30		DFEDHN
CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCOCC2	ZINC000274388876	426759399	/nfs/dbraw/zinc/75/93/99/426759399.db2.gz	BOOFMWGHSJYXQX-IAGOWNOFSA-N	0	3	318.392	2.761	20	30		DFEDHN
C=CCOc1cccc(CN2CCS[C@H]3COCC[C@H]32)c1	ZINC000245703815	426764959	/nfs/dbraw/zinc/76/49/59/426764959.db2.gz	BRZWYWCIZAIHFM-SJORKVTESA-N	0	3	305.443	2.958	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccccc2)[C@H]1C	ZINC000266948863	426803478	/nfs/dbraw/zinc/80/34/78/426803478.db2.gz	SQGNQVTXQJFFHU-NUJGCVRESA-N	0	3	313.445	2.700	20	30		DFEDHN
Cc1ccc(N2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)nn1	ZINC000246265428	426814817	/nfs/dbraw/zinc/81/48/17/426814817.db2.gz	AMKQQWCKFHJRLH-MRXNPFEDSA-N	0	3	321.428	2.930	20	30		DFEDHN
CCOCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C	ZINC000246416610	426830426	/nfs/dbraw/zinc/83/04/26/426830426.db2.gz	RFEGTAXFDGYTRB-JKSUJKDBSA-N	0	3	301.434	2.662	20	30		DFEDHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(SCC#N)c1	ZINC000246492373	426838133	/nfs/dbraw/zinc/83/81/33/426838133.db2.gz	INTJZHAOSBUGMU-HIFRSBDPSA-N	0	3	315.442	2.611	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@H]1c1cccc2c1OCCO2	ZINC000246065498	426795581	/nfs/dbraw/zinc/79/55/81/426795581.db2.gz	WXLCDDOREDTTNN-HOCLYGCPSA-N	0	3	303.402	2.922	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1	ZINC000290568874	426796327	/nfs/dbraw/zinc/79/63/27/426796327.db2.gz	RNHLNGMAJMEFQD-KRWDZBQOSA-N	0	3	319.380	2.718	20	30		DFEDHN
C=CCC[C@H](O)CN[C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282256861	426865412	/nfs/dbraw/zinc/86/54/12/426865412.db2.gz	CKUJFIYCPHNYNP-ROUUACIJSA-N	0	3	312.413	2.506	20	30		DFEDHN
C#CCN1CCC(C(=O)NCc2cccc(CSC)c2)CC1	ZINC000189481962	426865802	/nfs/dbraw/zinc/86/58/02/426865802.db2.gz	MWCKETJCOBFYPJ-UHFFFAOYSA-N	0	3	316.470	2.511	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C	ZINC000246946613	426881918	/nfs/dbraw/zinc/88/19/18/426881918.db2.gz	PBBHYHLGYQFUBV-KEYYUXOJSA-N	0	3	320.458	2.746	20	30		DFEDHN
C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc(C(F)(F)F)ccc1C#N	ZINC000267698758	426886246	/nfs/dbraw/zinc/88/62/46/426886246.db2.gz	RJZXPBQXLKDCPD-PWSUYJOCSA-N	0	3	312.339	2.748	20	30		DFEDHN
N#Cc1ccc(OCCCN[C@]2(CO)CCc3ccccc32)cc1	ZINC000305265250	426905402	/nfs/dbraw/zinc/90/54/02/426905402.db2.gz	YPFTVZNJFLJTSR-FQEVSTJZSA-N	0	3	322.408	2.751	20	30		DFEDHN
COc1cccc(CN(CCN(C)C)c2ccc(C#N)cn2)c1	ZINC000189629994	426910783	/nfs/dbraw/zinc/91/07/83/426910783.db2.gz	NOIIUWQAGZLDSA-UHFFFAOYSA-N	0	3	310.401	2.530	20	30		DFEDHN
COC1(CNCc2cn(C)nc2-c2ccc(C#N)cc2)CCC1	ZINC000181084838	426912562	/nfs/dbraw/zinc/91/25/62/426912562.db2.gz	YVOCXWAXVKABOK-UHFFFAOYSA-N	0	3	310.401	2.617	20	30		DFEDHN
C=CCC(CC=C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1	ZINC000268201614	426948322	/nfs/dbraw/zinc/94/83/22/426948322.db2.gz	MWDVTFWXBWPEPO-HZPDHXFCSA-N	0	3	308.466	2.760	20	30		DFEDHN
C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(O)c1	ZINC000181571194	426963016	/nfs/dbraw/zinc/96/30/16/426963016.db2.gz	QJVGVVYJVBRUTN-ZDUSSCGKSA-N	0	3	309.369	2.943	20	30		DFEDHN
CN(CCC(=O)OC(C)(C)C)Cc1ccc(OCC#N)cc1	ZINC000268249409	426963501	/nfs/dbraw/zinc/96/35/01/426963501.db2.gz	ISZVTRPUBJAHHO-UHFFFAOYSA-N	0	3	304.390	2.753	20	30		DFEDHN
CN1CC[C@H](NC(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000248034312	426976113	/nfs/dbraw/zinc/97/61/13/426976113.db2.gz	KVGXLXCVJNNEQZ-RBUKOAKNSA-N	0	3	319.408	2.928	20	30		DFEDHN
C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN(C2CCC2)C1	ZINC000291768696	426980169	/nfs/dbraw/zinc/98/01/69/426980169.db2.gz	MJAGHOBYXOUMSM-AWEZNQCLSA-N	0	3	312.417	2.896	20	30		DFEDHN
C[C@H](Cn1cccn1)NCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000328690057	426989283	/nfs/dbraw/zinc/98/92/83/426989283.db2.gz	BPOWKNBLUBJFOD-ZZFFKQLHSA-N	0	3	316.449	2.787	20	30		DFEDHN
C[C@@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)Nc1nccs1	ZINC000328726649	426990598	/nfs/dbraw/zinc/99/05/98/426990598.db2.gz	ZSJUIGSOSCPVLE-ZJUUUORDSA-N	0	3	308.407	2.751	20	30		DFEDHN
C=CCc1ccccc1OC[C@H](O)CN1CCSC[C@H]1C	ZINC000247370792	426933059	/nfs/dbraw/zinc/93/30/59/426933059.db2.gz	NPMYEDWEYYXBCL-GDBMZVCRSA-N	0	3	307.459	2.592	20	30		DFEDHN
C=CCC[C@H](O)CN1CCN([C@H](C)c2cccc(OC)c2)CC1	ZINC000268570837	427057104	/nfs/dbraw/zinc/05/71/04/427057104.db2.gz	RDGTXRNCCXBMFQ-AEFFLSMTSA-N	0	3	318.461	2.701	20	30		DFEDHN
C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000328806883	426999489	/nfs/dbraw/zinc/99/94/89/426999489.db2.gz	MAWQJGZUFRMQSU-XBVQOTNRSA-N	0	3	318.417	2.525	20	30		DFEDHN
Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H]2CC[C@H](C#N)C2)on1	ZINC000328827587	427002304	/nfs/dbraw/zinc/00/23/04/427002304.db2.gz	JOHQAMXARRPSJG-VGWMRTNUSA-N	0	3	320.412	2.520	20	30		DFEDHN
C=CCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C	ZINC000276420088	427061480	/nfs/dbraw/zinc/06/14/80/427061480.db2.gz	MLLNGFAWJPOPFV-AWEZNQCLSA-N	0	3	303.406	2.848	20	30		DFEDHN
C=CCCN(C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O	ZINC000276205351	427007967	/nfs/dbraw/zinc/00/79/67/427007967.db2.gz	JZMPTVVEJZSCRO-INIZCTEOSA-N	0	3	308.372	2.964	20	30		DFEDHN
CCN1CCC[C@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)C1	ZINC000328910603	427010575	/nfs/dbraw/zinc/01/05/75/427010575.db2.gz	NOECOUHELFNNQK-SWLSCSKDSA-N	0	3	317.389	2.867	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1CCN(C2CCCC2)CC1	ZINC000337876819	427012826	/nfs/dbraw/zinc/01/28/26/427012826.db2.gz	ZJHAJRSQNDCLGZ-UHFFFAOYSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=CCn1c([C@H](C)CC)nnc1N1CCN(CC2CC2)CC1	ZINC000337920372	427041013	/nfs/dbraw/zinc/04/10/13/427041013.db2.gz	YLQUNSHMBJLIIX-CQSZACIVSA-N	0	3	303.454	2.510	20	30		DFEDHN
CC(C)[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCCCC1	ZINC000329096476	427042900	/nfs/dbraw/zinc/04/29/00/427042900.db2.gz	BUGXQEYGFYQYCJ-NUJGCVRESA-N	0	3	324.465	2.792	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000248853874	427053363	/nfs/dbraw/zinc/05/33/63/427053363.db2.gz	PDCGAYYAVUFQHX-SQNIBIBYSA-N	0	3	311.429	2.850	20	30		DFEDHN
Cc1nc(NC2CCN(CCOC(C)C)CC2)ccc1C#N	ZINC000292037556	427066031	/nfs/dbraw/zinc/06/60/31/427066031.db2.gz	VATBYNZIDJMGTK-UHFFFAOYSA-N	0	3	302.422	2.563	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCO1	ZINC000182370902	427066322	/nfs/dbraw/zinc/06/63/22/427066322.db2.gz	QQOXBPHAPPSZKZ-UONOGXRCSA-N	0	3	321.446	2.722	20	30		DFEDHN
C[C@H]1CC[C@@H](CN2CCCN(Cc3ccc(C#N)cc3)CC2)O1	ZINC000190298052	427067038	/nfs/dbraw/zinc/06/70/38/427067038.db2.gz	NKLSEZSMTZOWIP-LPHOPBHVSA-N	0	3	313.445	2.633	20	30		DFEDHN
C=CCC[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccco1	ZINC000276511039	427086047	/nfs/dbraw/zinc/08/60/47/427086047.db2.gz	ZEXPTHBLIRQWCE-GJZGRUSLSA-N	0	3	307.390	2.799	20	30		DFEDHN
C[C@H]1CC[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1	ZINC000276505808	427087840	/nfs/dbraw/zinc/08/78/40/427087840.db2.gz	TYPKCZFENBNIBT-KSSFIOAISA-N	0	3	300.402	2.969	20	30		DFEDHN
COc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292112307	427094992	/nfs/dbraw/zinc/09/49/92/427094992.db2.gz	HFOUPJNPLWPMQK-KRWDZBQOSA-N	0	3	309.369	2.615	20	30		DFEDHN
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)C(C#N)CCc1ccccc1	ZINC000329416131	427110638	/nfs/dbraw/zinc/11/06/38/427110638.db2.gz	ZBBCVITXEDSZBO-JWXAEQQXSA-N	0	3	324.424	2.641	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](C)c1ccc(OCC(C)C)cc1	ZINC000268776774	427110827	/nfs/dbraw/zinc/11/08/27/427110827.db2.gz	AUANBUNALJPGLG-OAHLLOKOSA-N	0	3	302.418	2.512	20	30		DFEDHN
CC(=O)Nc1nc(C(=O)N[C@H](C)C2=CCN(C)CC2)cs1	ZINC000329473310	427122068	/nfs/dbraw/zinc/12/20/68/427122068.db2.gz	AOAAVQSQHLMCHJ-SECBINFHSA-N	0	3	308.407	2.706	20	30		DFEDHN
CN(C)CCN(C(=O)Nc1cccc2c1OCO2)C1CCCC1	ZINC000329491005	427127835	/nfs/dbraw/zinc/12/78/35/427127835.db2.gz	YZVVEESHQPOLRA-UHFFFAOYSA-N	0	3	319.405	2.767	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(F)c1C#N	ZINC000249593562	427132481	/nfs/dbraw/zinc/13/24/81/427132481.db2.gz	WCMOBOTZAPZMRQ-MJBXVCDLSA-N	0	3	317.408	2.794	20	30		DFEDHN
N#Cc1ccc(O[C@H]2CCN(CC[C@H](O)c3ccccc3)C2)nc1	ZINC000292218136	427134144	/nfs/dbraw/zinc/13/41/44/427134144.db2.gz	OXGXPOWHIRGSRQ-ROUUACIJSA-N	0	3	323.396	2.530	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1OC	ZINC000249769861	427144974	/nfs/dbraw/zinc/14/49/74/427144974.db2.gz	BMRHZLKRCGBDGR-GDBMZVCRSA-N	0	3	305.418	2.853	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1	ZINC000329587167	427147472	/nfs/dbraw/zinc/14/74/72/427147472.db2.gz	XFHPHCKSRRLZGA-CXHZTBPHSA-N	0	3	323.481	2.568	20	30		DFEDHN
Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CN1CCCCC1	ZINC000338120414	427148634	/nfs/dbraw/zinc/14/86/34/427148634.db2.gz	OLUQEPKGQSNMBS-KRWDZBQOSA-N	0	3	311.429	2.957	20	30		DFEDHN
C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1	ZINC000249849325	427151063	/nfs/dbraw/zinc/15/10/63/427151063.db2.gz	PDTWKBGHGRIHHP-JENIJYKNSA-N	0	3	316.445	2.777	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)CC1	ZINC000329508097	427130581	/nfs/dbraw/zinc/13/05/81/427130581.db2.gz	WZBMMYSNOYINAS-CQSZACIVSA-N	0	3	316.449	2.543	20	30		DFEDHN
Cn1cc(CNCCSCc2ccccc2C#N)cc1C#N	ZINC000190701431	427164736	/nfs/dbraw/zinc/16/47/36/427164736.db2.gz	ZSDZTMDARNUGEG-UHFFFAOYSA-N	0	3	310.426	2.791	20	30		DFEDHN
C[C@H](CN1CCCCC1)NC(=O)c1cc(C#N)ccc1Cl	ZINC000284962363	427202477	/nfs/dbraw/zinc/20/24/77/427202477.db2.gz	AUOOGFXGBOAXMV-GFCCVEGCSA-N	0	3	305.809	2.816	20	30		DFEDHN
CC(C)OCCN1CCC(NCc2ccc(C#N)cc2F)CC1	ZINC000269468573	427202775	/nfs/dbraw/zinc/20/27/75/427202775.db2.gz	ZMDJTZZCCKYCQP-UHFFFAOYSA-N	0	3	319.424	2.676	20	30		DFEDHN
Cc1ccc([O-])c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292876639	427203766	/nfs/dbraw/zinc/20/37/66/427203766.db2.gz	XDDJEZGURIPGMQ-INIZCTEOSA-N	0	3	309.369	2.621	20	30		DFEDHN
Cc1ccc([O-])c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292876639	427203772	/nfs/dbraw/zinc/20/37/72/427203772.db2.gz	XDDJEZGURIPGMQ-INIZCTEOSA-N	0	3	309.369	2.621	20	30		DFEDHN
CCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl	ZINC000285395103	427220588	/nfs/dbraw/zinc/22/05/88/427220588.db2.gz	AQEYRVDLHYEZFH-CYBMUJFWSA-N	0	3	305.809	2.816	20	30		DFEDHN
Cn1cc(CNCC2(O)CCC(C(C)(C)C)CC2)cc1C#N	ZINC000190993171	427226034	/nfs/dbraw/zinc/22/60/34/427226034.db2.gz	YRJGWKKEGJDANH-UHFFFAOYSA-N	0	3	303.450	2.954	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1	ZINC000338274058	427227906	/nfs/dbraw/zinc/22/79/06/427227906.db2.gz	KCLZAJJWMIDCLP-WDEREUQCSA-N	0	3	307.419	2.500	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCCO1)C(C)C	ZINC000338272822	427228125	/nfs/dbraw/zinc/22/81/25/427228125.db2.gz	VMQCHQLMWWDCTO-SJORKVTESA-N	0	3	323.481	2.553	20	30		DFEDHN
N#Cc1cccc(NC(=O)C2CCN(Cc3ccncc3)CC2)c1	ZINC000269653905	427241815	/nfs/dbraw/zinc/24/18/15/427241815.db2.gz	UUSWVCLPIGMJPE-UHFFFAOYSA-N	0	3	320.396	2.804	20	30		DFEDHN
C[C@H]1COCC[C@H]1NCc1cc(C#N)ccc1Br	ZINC000277566711	427246810	/nfs/dbraw/zinc/24/68/10/427246810.db2.gz	USUTYYCHLCRBBF-IINYFYTJSA-N	0	3	309.207	2.835	20	30		DFEDHN
CCN(C)c1ccc(CNCCOc2ccc(C#N)cc2)cn1	ZINC000191208563	427287365	/nfs/dbraw/zinc/28/73/65/427287365.db2.gz	XYVNXJOAIHCUIB-UHFFFAOYSA-N	0	3	310.401	2.578	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1	ZINC000330640782	427281137	/nfs/dbraw/zinc/28/11/37/427281137.db2.gz	WTBRCPVHTLQGEB-SJORKVTESA-N	0	3	323.481	2.734	20	30		DFEDHN
CC(C)Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(=O)[nH]1	ZINC000330776192	427301321	/nfs/dbraw/zinc/30/13/21/427301321.db2.gz	SRJREFGIRPTHAG-ZDUSSCGKSA-N	0	3	317.433	2.941	20	30		DFEDHN
CC(C)Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc(=O)[nH]1	ZINC000330776191	427301496	/nfs/dbraw/zinc/30/14/96/427301496.db2.gz	SRJREFGIRPTHAG-CYBMUJFWSA-N	0	3	317.433	2.941	20	30		DFEDHN
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H]1CCN(C)C1	ZINC000338400192	427302478	/nfs/dbraw/zinc/30/24/78/427302478.db2.gz	MKFKFOFSIDOFRG-LBPRGKRZSA-N	0	3	315.804	2.787	20	30		DFEDHN
C[C@@H]1C[C@H](NC(=O)c2cnn(CCC(F)(F)F)c2)CCN1C	ZINC000330797819	427305935	/nfs/dbraw/zinc/30/59/35/427305935.db2.gz	CDLOOIFTURJBJM-ZYHUDNBSSA-N	0	3	318.343	2.623	20	30		DFEDHN
COCCN(CCCc1ccccc1)Cc1cc(C#N)n(C)c1	ZINC000191279461	427306126	/nfs/dbraw/zinc/30/61/26/427306126.db2.gz	YMUQDAISVVPQHD-UHFFFAOYSA-N	0	3	311.429	2.978	20	30		DFEDHN
COc1ncc(C)cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1	ZINC000330872851	427311436	/nfs/dbraw/zinc/31/14/36/427311436.db2.gz	CSPNMIKOCUYPKS-CYBMUJFWSA-N	0	3	320.437	2.606	20	30		DFEDHN
CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	ZINC000330901537	427312909	/nfs/dbraw/zinc/31/29/09/427312909.db2.gz	KLWNIYHADLJPET-XJKSGUPXSA-N	0	3	317.433	2.566	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1	ZINC000330930910	427318602	/nfs/dbraw/zinc/31/86/02/427318602.db2.gz	RGJKEGIEPPKHNZ-CHWSQXEVSA-N	0	3	306.454	2.751	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)NCC1(OC)CCC(C)CC1	ZINC000331046941	427330748	/nfs/dbraw/zinc/33/07/48/427330748.db2.gz	VEQHUEPPPWYMGO-CKDBGZEDSA-N	0	3	311.470	2.570	20	30		DFEDHN
C=C[C@@H](CC(=O)NC[C@@]1(N(C)C)CCSC1)c1ccccc1	ZINC000270358942	427332516	/nfs/dbraw/zinc/33/25/16/427332516.db2.gz	JPRZPXQMGPMFCR-YJBOKZPZSA-N	0	3	318.486	2.900	20	30		DFEDHN
CC(C)(O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285611709	427287747	/nfs/dbraw/zinc/28/77/47/427287747.db2.gz	XMAHSMDQZSJMBP-UHFFFAOYSA-N	0	3	306.381	2.702	20	30		DFEDHN
C#CCC(CC#C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1	ZINC000277693955	427289380	/nfs/dbraw/zinc/28/93/80/427289380.db2.gz	NXHMKVOTLADPAX-HXUWFJFHSA-N	0	3	322.452	2.911	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1O	ZINC000330695600	427293431	/nfs/dbraw/zinc/29/34/31/427293431.db2.gz	DHTZOXVHNOYPEZ-HOTGVXAUSA-N	0	3	302.418	2.666	20	30		DFEDHN
CCNC(=O)NC(=O)[C@H](C)N1CCCC[C@@H]1Cc1ccccc1	ZINC000331231280	427374514	/nfs/dbraw/zinc/37/45/14/427374514.db2.gz	QMCXJXJGDJAVFK-GOEBONIOSA-N	0	3	317.433	2.522	20	30		DFEDHN
Cn1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1C#N	ZINC000191560452	427377639	/nfs/dbraw/zinc/37/76/39/427377639.db2.gz	JRWWIKMJVPKFPQ-DLBZAZTESA-N	0	3	317.339	2.795	20	30		DFEDHN
CC(C)Cn1cc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cn1	ZINC000331245054	427380680	/nfs/dbraw/zinc/38/06/80/427380680.db2.gz	LPZVHDFPAZEKMQ-OAHLLOKOSA-N	0	3	321.469	2.985	20	30		DFEDHN
CCc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)[nH]c(C)c1C(N)=O	ZINC000331273209	427387937	/nfs/dbraw/zinc/38/79/37/427387937.db2.gz	VVTIIENGCWMTDP-ZWNOBZJWSA-N	0	3	320.437	2.802	20	30		DFEDHN
COc1cc(C#N)ccc1CN1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000271053843	427389009	/nfs/dbraw/zinc/38/90/09/427389009.db2.gz	QSAJOGUOMADXLE-SJLPKXTDSA-N	0	3	300.402	2.694	20	30		DFEDHN
O=C(NC[C@@H]1CCCCN1CCO)c1ccc(F)c(Cl)c1	ZINC000331293095	427393366	/nfs/dbraw/zinc/39/33/66/427393366.db2.gz	BVOXLCWEKSVBSV-LBPRGKRZSA-N	0	3	314.788	2.631	20	30		DFEDHN
CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000285989622	427396257	/nfs/dbraw/zinc/39/62/57/427396257.db2.gz	FSMRRKOYIHDBHV-RYUDHWBXSA-N	0	3	309.460	2.822	20	30		DFEDHN
COC(C)(C)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C	ZINC000331305917	427396345	/nfs/dbraw/zinc/39/63/45/427396345.db2.gz	DVUWMHXKCKVDIE-KBPBESRZSA-N	0	3	313.486	2.814	20	30		DFEDHN
C=CCC[C@@H](O)CN(Cc1ccc(-n2cncn2)cc1)C1CC1	ZINC000338591632	427400901	/nfs/dbraw/zinc/40/09/01/427400901.db2.gz	IXSANGWLXYLNNX-GOSISDBHSA-N	0	3	312.417	2.559	20	30		DFEDHN
Cc1cc(C)c(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)n1	ZINC000331352971	427401809	/nfs/dbraw/zinc/40/18/09/427401809.db2.gz	ZSWZIAKXTGGOOY-ZDUSSCGKSA-N	0	3	302.422	2.983	20	30		DFEDHN
CNc1ccc(C#N)cc1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C	ZINC000286016700	427402131	/nfs/dbraw/zinc/40/21/31/427402131.db2.gz	RLLFASBFKSKPRR-UPJWGTAASA-N	0	3	300.406	2.800	20	30		DFEDHN
CC#CCN(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC	ZINC000297361023	427403071	/nfs/dbraw/zinc/40/30/71/427403071.db2.gz	IMQCSCBQOHTJHX-HNNXBMFYSA-N	0	3	307.463	2.796	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(O)(CC)CC2)cc1OC	ZINC000271204370	427451201	/nfs/dbraw/zinc/45/12/01/427451201.db2.gz	RBIGGFWIYCRCJJ-UHFFFAOYSA-N	0	3	305.418	2.997	20	30		DFEDHN
CN1CCC[C@]2(CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)C1	ZINC000338749801	427466156	/nfs/dbraw/zinc/46/61/56/427466156.db2.gz	ODCPTQLDHUWVPW-HNNXBMFYSA-N	0	3	324.350	2.894	20	30		DFEDHN
C#CCOc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1	ZINC000271262422	427470562	/nfs/dbraw/zinc/47/05/62/427470562.db2.gz	ZOUMBJHQDCXSIG-SFHVURJKSA-N	0	3	313.372	2.531	20	30		DFEDHN
N#Cc1ccc(NC2CC2)c(NC(=O)C2CCN(C3CC3)CC2)c1	ZINC000286104451	427427408	/nfs/dbraw/zinc/42/74/08/427427408.db2.gz	WZAMGYBZCNCWGY-UHFFFAOYSA-N	0	3	324.428	2.945	20	30		DFEDHN
C=CCc1ccccc1OC[C@@H](O)CN1CCS[C@H](C)CC1	ZINC000192175646	427494257	/nfs/dbraw/zinc/49/42/57/427494257.db2.gz	VSEPBFAWXCMENL-WBVHZDCISA-N	0	3	321.486	2.982	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1oc(C)c(C)c1C#N	ZINC000286350358	427499451	/nfs/dbraw/zinc/49/94/51/427499451.db2.gz	XVLUKAVJKZMTMT-UONOGXRCSA-N	0	3	321.446	2.970	20	30		DFEDHN
C#CCOc1cc(F)ccc1NC(=O)N(CCN(C)C)C(C)C	ZINC000271419218	427529689	/nfs/dbraw/zinc/52/96/89/427529689.db2.gz	YYKQVXYBHTVORN-UHFFFAOYSA-N	0	3	321.396	2.642	20	30		DFEDHN
N#Cc1cc2c(nc1NC(=O)C1CCN(C3CC3)CC1)CCCC2	ZINC000192801714	427612556	/nfs/dbraw/zinc/61/25/56/427612556.db2.gz	MOJBXMVFPPXZHW-UHFFFAOYSA-N	0	3	324.428	2.645	20	30		DFEDHN
C[C@H](N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1	ZINC000192813786	427615147	/nfs/dbraw/zinc/61/51/47/427615147.db2.gz	LNFQVTHSOAVIJC-WMLDXEAASA-N	0	3	307.401	2.668	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CCc1cscn1)C(C)C	ZINC000263751771	427558017	/nfs/dbraw/zinc/55/80/17/427558017.db2.gz	OYVTYDLBVUJXKE-INIZCTEOSA-N	0	3	321.490	2.891	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN1CCC(n2c(C)ccc2C)CC1	ZINC000263777000	427567125	/nfs/dbraw/zinc/56/71/25/427567125.db2.gz	XRWZCVQEQNIICT-UHFFFAOYSA-N	0	3	315.461	2.942	20	30		DFEDHN
CCc1oc(CNCCc2cccc(C#N)c2)cc1C(=O)OC	ZINC000338952570	427586143	/nfs/dbraw/zinc/58/61/43/427586143.db2.gz	PTVYOZPUMYXAMB-UHFFFAOYSA-N	0	3	312.369	2.833	20	30		DFEDHN
CC1(C)CN(CC(=O)NC2(C#N)CCCCC2)[C@H]2CCC[C@@H]21	ZINC000332760722	427626824	/nfs/dbraw/zinc/62/68/24/427626824.db2.gz	LHPGGNZNOWWCCI-GJZGRUSLSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(-c2ccccc2C#N)cc1	ZINC000298513278	427635672	/nfs/dbraw/zinc/63/56/72/427635672.db2.gz	KTVVQPMSQYTNMJ-LIRRHRJNSA-N	0	3	319.408	2.982	20	30		DFEDHN
C[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1C#N	ZINC000287577947	427644426	/nfs/dbraw/zinc/64/44/26/427644426.db2.gz	CBUFQSBGKWTGJL-QMTHXVAHSA-N	0	3	309.207	2.835	20	30		DFEDHN
CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COCC(C)C	ZINC000298562933	427649871	/nfs/dbraw/zinc/64/98/71/427649871.db2.gz	KOHRCAVZJMFAOH-GOSISDBHSA-N	0	3	304.434	2.804	20	30		DFEDHN
CCCN(CCN1CCCC1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000343250591	272105482	/nfs/dbraw/zinc/10/54/82/272105482.db2.gz	FVYIUGFCRSFDDF-UHFFFAOYSA-N	0	3	302.378	2.779	20	30		DFEDHN
CC(C)n1nccc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1	ZINC000343405200	272139417	/nfs/dbraw/zinc/13/94/17/272139417.db2.gz	ZYYUVENMRFHNRW-SJLPKXTDSA-N	0	3	310.401	2.955	20	30		DFEDHN
N#C[C@@H]1CC[C@H](N2CCC(O)(Cc3ccc(F)cc3)CC2)C1	ZINC000339098868	427675652	/nfs/dbraw/zinc/67/56/52/427675652.db2.gz	LIXDDZLFXBLCJF-WBVHZDCISA-N	0	3	302.393	2.887	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C2CCOCC2)C1	ZINC000339136217	427696964	/nfs/dbraw/zinc/69/69/64/427696964.db2.gz	ZWMRYDDSKFSHGJ-RDJZCZTQSA-N	0	3	308.466	2.548	20	30		DFEDHN
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(C#N)cc1	ZINC000295140306	427710206	/nfs/dbraw/zinc/71/02/06/427710206.db2.gz	PUJFDDVWARCOJX-ZSHCYNCHSA-N	0	3	313.401	2.513	20	30		DFEDHN
CN(C[C@@H]1OCCN(C)[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C#N)C1	ZINC000339190777	427724080	/nfs/dbraw/zinc/72/40/80/427724080.db2.gz	PZBNXHHOBUZTMH-XGXHKWSGSA-N	0	3	313.445	2.682	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F	ZINC000339315256	427754467	/nfs/dbraw/zinc/75/44/67/427754467.db2.gz	MEUNKXMDEYLGOE-IUCAKERBSA-N	0	3	313.170	2.795	20	30		DFEDHN
CCCN(CCCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000336827752	427754577	/nfs/dbraw/zinc/75/45/77/427754577.db2.gz	IDYJQZAQOMAXAU-CQSZACIVSA-N	0	3	300.468	2.606	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN(C)CCCCc1ccccc1	ZINC000339320009	427754760	/nfs/dbraw/zinc/75/47/60/427754760.db2.gz	UAULUTISQDXDGH-KRWDZBQOSA-N	0	3	315.461	2.949	20	30		DFEDHN
C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cn[nH]c1	ZINC000299241549	427763671	/nfs/dbraw/zinc/76/36/71/427763671.db2.gz	JDYGPZJYPLFDAD-SNVBAGLBSA-N	0	3	317.780	2.614	20	30		DFEDHN
N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccnc2)cc1	ZINC000336881018	427770965	/nfs/dbraw/zinc/77/09/65/427770965.db2.gz	RTZPVHRPJAMQIG-MJGOQNOKSA-N	0	3	323.396	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC1	ZINC000336954316	427780249	/nfs/dbraw/zinc/78/02/49/427780249.db2.gz	TUYKIWYHMPPEQT-CYBMUJFWSA-N	0	3	315.408	2.762	20	30		DFEDHN
CCCN1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000301304098	427788205	/nfs/dbraw/zinc/78/82/05/427788205.db2.gz	SVWCDVOGVSFFLT-UHFFFAOYSA-N	0	3	312.339	2.894	20	30		DFEDHN
N#Cc1csc(C(=O)N2CCCN(CC3CCC3)CC2)c1	ZINC000339206572	427731430	/nfs/dbraw/zinc/73/14/30/427731430.db2.gz	VZDGGSXAYZUZCM-UHFFFAOYSA-N	0	3	303.431	2.568	20	30		DFEDHN
Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1C#N	ZINC000336722375	427751359	/nfs/dbraw/zinc/75/13/59/427751359.db2.gz	VUNKWBIBJLRMOI-MAUKXSAKSA-N	0	3	306.413	3.337	20	30		DFEDHN
C=CCN1CC[C@H](N(C)[C@H]2C[C@@H](OCC)C2(CC)CC)C1=O	ZINC000337156195	427807398	/nfs/dbraw/zinc/80/73/98/427807398.db2.gz	ABXRTFMQEYQDAT-HRCADAONSA-N	0	3	308.466	2.689	20	30		DFEDHN
C=CCN1CC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1=O	ZINC000337173790	427809559	/nfs/dbraw/zinc/80/95/59/427809559.db2.gz	GNTZUFGTLBBIFE-NJAFHUGGSA-N	0	3	314.429	2.531	20	30		DFEDHN
CCc1nnc(NC[C@@H]2CCCCN2CC)c(C#N)c1CC	ZINC000301640515	427812077	/nfs/dbraw/zinc/81/20/77/427812077.db2.gz	YMVYMYUJLVZSAS-ZDUSSCGKSA-N	0	3	301.438	2.759	20	30		DFEDHN
C=CCN1CC[C@H](N2CCC[C@H]2c2cccc(N(C)C)c2)C1=O	ZINC000337191023	427812618	/nfs/dbraw/zinc/81/26/18/427812618.db2.gz	SCRGABSUXCNMBD-ROUUACIJSA-N	0	3	313.445	2.676	20	30		DFEDHN
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](Cc2ccccc2)C1	ZINC000337231280	427818928	/nfs/dbraw/zinc/81/89/28/427818928.db2.gz	XARCTGBCIVXZKS-SJLPKXTDSA-N	0	3	313.445	2.702	20	30		DFEDHN
C=CCN1CC[C@H](N(C)CC[C@@H](C)OCc2ccccc2)C1=O	ZINC000337237591	427821420	/nfs/dbraw/zinc/82/14/20/427821420.db2.gz	YQAVWBADWCBMFY-AEFFLSMTSA-N	0	3	316.445	2.701	20	30		DFEDHN
OC[C@@]1([C@H](NCC#Cc2ccc(Cl)cc2)C2CC2)CCCO1	ZINC000339766163	427825041	/nfs/dbraw/zinc/82/50/41/427825041.db2.gz	GMFKOXQIDPOXEL-QZTJIDSGSA-N	0	3	319.832	2.601	20	30		DFEDHN
CC(C)CN1CCCC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301804815	427825755	/nfs/dbraw/zinc/82/57/55/427825755.db2.gz	VKZIKAQLDDBEAU-CQSZACIVSA-N	0	3	317.393	2.784	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)COC2CCC(C)CC2)CC1	ZINC000355664070	427839442	/nfs/dbraw/zinc/83/94/42/427839442.db2.gz	SPWPTMWZYLXPHZ-UHFFFAOYSA-N	0	3	308.466	2.738	20	30		DFEDHN
CC(C#N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	ZINC000337339177	427853245	/nfs/dbraw/zinc/85/32/45/427853245.db2.gz	QXPKWOHEBLEYEM-NSHDSACASA-N	0	3	311.307	2.514	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1NCc1ccc(C#N)s1	ZINC000349749912	427855226	/nfs/dbraw/zinc/85/52/26/427855226.db2.gz	WNZKOPFDEAOEGA-ZBFHGGJFSA-N	0	3	316.430	2.590	20	30		DFEDHN
Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)s1	ZINC000349749910	427856940	/nfs/dbraw/zinc/85/69/40/427856940.db2.gz	WNZKOPFDEAOEGA-GOEBONIOSA-N	0	3	316.430	2.590	20	30		DFEDHN
COc1ccc(C#N)cc1NC(=O)c1cccc(CN(C)C)c1	ZINC000345710327	427870122	/nfs/dbraw/zinc/87/01/22/427870122.db2.gz	CYBIGMZCGDJVHC-UHFFFAOYSA-N	0	3	309.369	2.881	20	30		DFEDHN
C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C)(C#N)CC1	ZINC000355768445	427882158	/nfs/dbraw/zinc/88/21/58/427882158.db2.gz	OVBKVMOOSDOATN-GJZGRUSLSA-N	0	3	306.454	2.585	20	30		DFEDHN
CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)oc1C)c1ccco1	ZINC000359565481	427912044	/nfs/dbraw/zinc/91/20/44/427912044.db2.gz	UXBXUYMFLZPSPU-ABAIWWIYSA-N	0	3	315.373	2.912	20	30		DFEDHN
Cc1cccc(CN(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)n1	ZINC000349986291	427917031	/nfs/dbraw/zinc/91/70/31/427917031.db2.gz	WXXNICJQKGJEIM-KRWDZBQOSA-N	0	3	318.380	2.603	20	30		DFEDHN
Cc1cc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)ccc1F	ZINC000350631611	427960177	/nfs/dbraw/zinc/96/01/77/427960177.db2.gz	JPKOWDSRNQUUHR-NXEZZACHSA-N	0	3	302.309	2.521	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1CCCN(CC)CC1	ZINC000350708396	427966719	/nfs/dbraw/zinc/96/67/19/427966719.db2.gz	KBWRIPASDKYWIB-UHFFFAOYSA-N	0	3	305.470	2.585	20	30		DFEDHN
C=CCn1c(CCC(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000350711739	427967531	/nfs/dbraw/zinc/96/75/31/427967531.db2.gz	NQVZNQPNTLKECF-JKSUJKDBSA-N	0	3	319.497	2.972	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H]1CCCOC1)C(C)C	ZINC000350748734	427968800	/nfs/dbraw/zinc/96/88/00/427968800.db2.gz	OEERKNDCEHPWSQ-IRXDYDNUSA-N	0	3	323.481	2.505	20	30		DFEDHN
C=CCn1c(C2CCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000350740796	427969687	/nfs/dbraw/zinc/96/96/87/427969687.db2.gz	HUNKTEALBRIRCV-UONOGXRCSA-N	0	3	303.454	2.651	20	30		DFEDHN
C[C@H](CC(F)F)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	ZINC000413181954	427983028	/nfs/dbraw/zinc/98/30/28/427983028.db2.gz	RGGDPCWFWXEGKV-CYBMUJFWSA-N	0	3	323.387	2.740	20	30		DFEDHN
CCc1cnccc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000350903512	427988630	/nfs/dbraw/zinc/98/86/30/427988630.db2.gz	YKBUNNCYXAALLS-SFHVURJKSA-N	0	3	318.380	2.514	20	30		DFEDHN
COc1cccc(Oc2ncccc2CNC(=O)C(C)C#N)c1	ZINC000355867071	427928640	/nfs/dbraw/zinc/92/86/40/427928640.db2.gz	SHFUDWJMNHPAIA-LBPRGKRZSA-N	0	3	311.341	2.658	20	30		DFEDHN
CCc1ccc([C@@H](CO)NCCOc2ccccc2C#N)cc1	ZINC000359624435	427940158	/nfs/dbraw/zinc/94/01/58/427940158.db2.gz	ISIZBYNRGCLNME-GOSISDBHSA-N	0	3	310.397	2.823	20	30		DFEDHN
C[C@H](CNC(=O)c1cscc1C#N)N(C)Cc1ccccc1	ZINC000340160468	427941358	/nfs/dbraw/zinc/94/13/58/427941358.db2.gz	DRFCHLPSNBYSTL-CYBMUJFWSA-N	0	3	313.426	2.870	20	30		DFEDHN
CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000376951222	428030885	/nfs/dbraw/zinc/03/08/85/428030885.db2.gz	USSNZQNLTUJYTJ-ZWKOTPCHSA-N	0	3	323.440	2.675	20	30		DFEDHN
CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2	ZINC000346161670	428042256	/nfs/dbraw/zinc/04/22/56/428042256.db2.gz	BUKCDYJSDBOLJV-FZMZJTMJSA-N	0	3	313.380	2.517	20	30		DFEDHN
C#CC[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000369748113	428051855	/nfs/dbraw/zinc/05/18/55/428051855.db2.gz	IEDMVCCPGZNLLL-INIZCTEOSA-N	0	3	313.445	2.670	20	30		DFEDHN
Cn1ccnc1C[C@H]1CCCN(Cc2cccc(C#N)c2F)C1	ZINC000341124936	427997159	/nfs/dbraw/zinc/99/71/59/427997159.db2.gz	MQQDOFLKCIICMA-CQSZACIVSA-N	0	3	312.392	2.886	20	30		DFEDHN
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)N(C)C1CC1	ZINC000413253386	428002624	/nfs/dbraw/zinc/00/26/24/428002624.db2.gz	URWGGPHPFZZBBV-WBVHZDCISA-N	0	3	315.461	2.956	20	30		DFEDHN
C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(C#N)c(F)c1	ZINC000346200061	428067609	/nfs/dbraw/zinc/06/76/09/428067609.db2.gz	QYEMMJMGYXSRNJ-CYBMUJFWSA-N	0	3	311.360	2.778	20	30		DFEDHN
CN(C)CCOC1CCN(c2cc(C#N)c3ccccc3n2)CC1	ZINC000356230780	428078027	/nfs/dbraw/zinc/07/80/27/428078027.db2.gz	VFNORQLOVGJXKO-UHFFFAOYSA-N	0	3	324.428	2.653	20	30		DFEDHN
COC(=O)[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000369871714	428078574	/nfs/dbraw/zinc/07/85/74/428078574.db2.gz	GCJSJKNXOSLAKE-RHSMWYFYSA-N	0	3	316.401	2.610	20	30		DFEDHN
N#CC(C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1	ZINC000359932571	428083706	/nfs/dbraw/zinc/08/37/06/428083706.db2.gz	ANZUIGHSQTXCPH-GFCCVEGCSA-N	0	3	316.704	2.889	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2C)cc1	ZINC000356256548	428092058	/nfs/dbraw/zinc/09/20/58/428092058.db2.gz	JVNJPFMFFSXXNJ-QFBILLFUSA-N	0	3	316.445	2.546	20	30		DFEDHN
C[C@H](C(=O)N1CC[C@]2(C1)CCCN(C)C2)c1cccc(C#N)c1	ZINC000356282396	428102607	/nfs/dbraw/zinc/10/26/07/428102607.db2.gz	PLKNTNMHYGGJGH-HNAYVOBHSA-N	0	3	311.429	2.606	20	30		DFEDHN
C=CCNC(=O)NC(=O)CN[C@H](CC(C)(C)C)c1ccccc1	ZINC000341602784	428124258	/nfs/dbraw/zinc/12/42/58/428124258.db2.gz	YCMSKMYMSXLSLG-OAHLLOKOSA-N	0	3	317.433	2.765	20	30		DFEDHN
Cc1nccn1CCN1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000346321617	428126307	/nfs/dbraw/zinc/12/63/07/428126307.db2.gz	HXNKODZNOZRMJU-UHFFFAOYSA-N	0	3	310.401	2.607	20	30		DFEDHN
C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000370065397	428126392	/nfs/dbraw/zinc/12/63/92/428126392.db2.gz	BJEJROGMCXHWBE-OAHLLOKOSA-N	0	3	322.412	2.623	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1	ZINC000369813897	428067437	/nfs/dbraw/zinc/06/74/37/428067437.db2.gz	LGQAYRCHEHZMBN-KRWDZBQOSA-N	0	3	313.445	2.624	20	30		DFEDHN
CC(C)N1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000352499850	428136092	/nfs/dbraw/zinc/13/60/92/428136092.db2.gz	IAKKHMAZFPFZOW-UHFFFAOYSA-N	0	3	311.429	2.533	20	30		DFEDHN
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(C)CC1	ZINC000413830544	428144155	/nfs/dbraw/zinc/14/41/55/428144155.db2.gz	XYSTZAJAUYKUFV-QGZVFWFLSA-N	0	3	301.434	2.521	20	30		DFEDHN
CS[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H]1N(C)C	ZINC000360130753	428173950	/nfs/dbraw/zinc/17/39/50/428173950.db2.gz	JJJLDAHCQZEBKR-CABCVRRESA-N	0	3	309.866	2.689	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000356443938	428180859	/nfs/dbraw/zinc/18/08/59/428180859.db2.gz	APJVFLWRAKAHSB-UHFFFAOYSA-N	0	3	316.361	2.549	20	30		DFEDHN
C#C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1	ZINC000370437137	428210327	/nfs/dbraw/zinc/21/03/27/428210327.db2.gz	SNIFDVIRTIHLFD-DUVNUKRYSA-N	0	3	319.836	2.654	20	30		DFEDHN
C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)C(=O)NC1(C#N)CCC1	ZINC000346543297	428210819	/nfs/dbraw/zinc/21/08/19/428210819.db2.gz	NUNYZLQCDRTNAA-GJZGRUSLSA-N	0	3	313.445	2.893	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccc(C#N)c1Cl	ZINC000341837018	428224395	/nfs/dbraw/zinc/22/43/95/428224395.db2.gz	ALPXCRFMNUKPIV-UPJWGTAASA-N	0	3	306.841	3.385	20	30		DFEDHN
N#Cc1cccc(NC[C@@H]2CCCN(Cc3cccnc3)C2)n1	ZINC000377800818	428231097	/nfs/dbraw/zinc/23/10/97/428231097.db2.gz	NNBCRERKXPZOKP-INIZCTEOSA-N	0	3	307.401	2.672	20	30		DFEDHN
N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1	ZINC000414321693	428261184	/nfs/dbraw/zinc/26/11/84/428261184.db2.gz	UJICHWYUSUPZEL-IVMMDQJWSA-N	0	3	301.365	2.603	20	30		DFEDHN
C[C@H]1CCN(CC#CCN2CCS[C@@H](C)CC2)CCS1	ZINC000342136406	428317321	/nfs/dbraw/zinc/31/73/21/428317321.db2.gz	VAJBCNUIYILCES-HOTGVXAUSA-N	0	3	312.548	2.645	20	30		DFEDHN
CCc1nccc([C@H]2CCCN(CCCSCC#N)C2)n1	ZINC000360502730	428323648	/nfs/dbraw/zinc/32/36/48/428323648.db2.gz	GMKFGAZCNOAMAS-AWEZNQCLSA-N	0	3	304.463	2.865	20	30		DFEDHN
COC(=O)[C@@]12CN(Cc3ccc(F)c(C#N)c3)C[C@H]1CCCC2	ZINC000342178638	428338025	/nfs/dbraw/zinc/33/80/25/428338025.db2.gz	SGSOJMMBCMMWET-QAPCUYQASA-N	0	3	316.376	2.863	20	30		DFEDHN
C=CC[C@H](CO)CNC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000342211317	428350851	/nfs/dbraw/zinc/35/08/51/428350851.db2.gz	OAMRXTNGUXJPMG-INIZCTEOSA-N	0	3	316.445	2.585	20	30		DFEDHN
N#Cc1ccc(N2CCC[C@@H](NC3CCSCC3)C2=O)cc1	ZINC000356776469	428303027	/nfs/dbraw/zinc/30/30/27/428303027.db2.gz	FXJQROBLBIGGEE-MRXNPFEDSA-N	0	3	315.442	2.539	20	30		DFEDHN
C=C(CNC(=O)NC[C@@H]1CCCCN1CC)c1ccccc1	ZINC000353115703	428389088	/nfs/dbraw/zinc/38/90/88/428389088.db2.gz	WFYUDHBSZOKAMG-KRWDZBQOSA-N	0	3	301.434	2.873	20	30		DFEDHN
C[C@@H](NCc1cccc(-n2cncn2)c1)c1cccc(C#N)c1	ZINC000378452903	428401472	/nfs/dbraw/zinc/40/14/72/428401472.db2.gz	HXQGOGMFFASMAR-CQSZACIVSA-N	0	3	303.369	2.990	20	30		DFEDHN
N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccccc4)C3)n2c1	ZINC000378462379	428403995	/nfs/dbraw/zinc/40/39/95/428403995.db2.gz	YIZJOJRWGHCRHC-MRXNPFEDSA-N	0	3	317.396	2.574	20	30		DFEDHN
Cc1noc(C(C)(C)NC(=O)C(C#N)CCc2ccccc2)n1	ZINC000356931284	428364657	/nfs/dbraw/zinc/36/46/57/428364657.db2.gz	XRYHDDKWUBDORQ-CQSZACIVSA-N	0	3	312.373	2.502	20	30		DFEDHN
Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1CC(C)C	ZINC000346949241	428382385	/nfs/dbraw/zinc/38/23/85/428382385.db2.gz	UNZRNOHZGIXRDZ-AWEZNQCLSA-N	0	3	311.389	2.744	20	30		DFEDHN
C=CCCCN(C)CC(=O)N1CCN(c2cccc(C)c2)CC1	ZINC000346962586	428385848	/nfs/dbraw/zinc/38/58/48/428385848.db2.gz	LHOTYHLSXLPAHI-UHFFFAOYSA-N	0	3	315.461	2.542	20	30		DFEDHN
CC(C#N)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000347082107	428437219	/nfs/dbraw/zinc/43/72/19/428437219.db2.gz	XYBDZGSGBBCZBC-MRVPVSSYSA-N	0	3	314.172	2.550	20	30		DFEDHN
CC(C#N)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000347082108	428437389	/nfs/dbraw/zinc/43/73/89/428437389.db2.gz	XYBDZGSGBBCZBC-QMMMGPOBSA-N	0	3	314.172	2.550	20	30		DFEDHN
CC#CCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1	ZINC000342801027	428461193	/nfs/dbraw/zinc/46/11/93/428461193.db2.gz	VRDLZSOCUWNMPQ-GOSISDBHSA-N	0	3	313.445	2.782	20	30		DFEDHN
C#CC[C@H](C)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C	ZINC000360850047	428461952	/nfs/dbraw/zinc/46/19/52/428461952.db2.gz	NOSTVDMIVYEHEC-DLBZAZTESA-N	0	3	313.445	2.704	20	30		DFEDHN
C[C@H]1[C@@H](Nc2nc3cc(Cl)ccn3c2C#N)CCCN1C	ZINC000342837070	428465737	/nfs/dbraw/zinc/46/57/37/428465737.db2.gz	VTXQIRPZTGBIKP-JQWIXIFHSA-N	0	3	303.797	2.754	20	30		DFEDHN
C=CCN(C(=O)[C@@H](C)OCC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000372598302	428470998	/nfs/dbraw/zinc/47/09/98/428470998.db2.gz	DUQHEOWTMBEPAR-SJLPKXTDSA-N	0	3	316.445	2.701	20	30		DFEDHN
C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc2n[nH]cc2c1	ZINC000353175925	428416985	/nfs/dbraw/zinc/41/69/85/428416985.db2.gz	STHBTUMSMIOUQO-CYBMUJFWSA-N	0	3	300.406	2.638	20	30		DFEDHN
CC(C#N)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000347036539	428418678	/nfs/dbraw/zinc/41/86/78/428418678.db2.gz	MJRYGZQMMQLGPH-NXEZZACHSA-N	0	3	300.280	2.965	20	30		DFEDHN
CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1	ZINC000347037618	428419008	/nfs/dbraw/zinc/41/90/08/428419008.db2.gz	NMSFSHJOAYKDCQ-ZWNOBZJWSA-N	0	3	323.190	2.509	20	30		DFEDHN
CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1	ZINC000353183700	428420642	/nfs/dbraw/zinc/42/06/42/428420642.db2.gz	PXRBVTNJUAUZIK-HNNXBMFYSA-N	0	3	303.381	2.578	20	30		DFEDHN
Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C(C)C#N	ZINC000347054785	428426438	/nfs/dbraw/zinc/42/64/38/428426438.db2.gz	AEWTUFPPSSLOOP-ZDUSSCGKSA-N	0	3	310.401	2.916	20	30		DFEDHN
C=CCN1CCC(NC(=O)COc2ccsc2Cl)CC1	ZINC000342480364	428429663	/nfs/dbraw/zinc/42/96/63/428429663.db2.gz	VPGLTXWXBFRQCF-UHFFFAOYSA-N	0	3	314.838	2.547	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@@H](c2ccncc2)C(C)C)CC1	ZINC000353311743	428480258	/nfs/dbraw/zinc/48/02/58/428480258.db2.gz	GNIONKWDZPCLLP-QGZVFWFLSA-N	0	3	301.434	2.588	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@@H]1C	ZINC000414991299	428481435	/nfs/dbraw/zinc/48/14/35/428481435.db2.gz	AYFDBNLLQZWJNB-STQMWFEESA-N	0	3	316.405	2.560	20	30		DFEDHN
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)NC[C@H]1C	ZINC000414991289	428483256	/nfs/dbraw/zinc/48/32/56/428483256.db2.gz	AYFDBNLLQZWJNB-CHWSQXEVSA-N	0	3	316.405	2.560	20	30		DFEDHN
N#Cc1ccc(NCCN2CCc3ccccc3C2)cc1[N+](=O)[O-]	ZINC000357332606	428486072	/nfs/dbraw/zinc/48/60/72/428486072.db2.gz	RYFLXZKLBRFKRH-UHFFFAOYSA-N	0	3	322.368	2.937	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC[C@H](COC(F)F)C1	ZINC000342981115	428499786	/nfs/dbraw/zinc/49/97/86/428499786.db2.gz	BIJBOSBJKAPLMX-GJZGRUSLSA-N	0	3	322.355	2.847	20	30		DFEDHN
C=CCOc1ccccc1CN1CCN(CCOC)[C@@H](CC)C1	ZINC000353369809	428506686	/nfs/dbraw/zinc/50/66/86/428506686.db2.gz	ASUQNCOMZFUOAP-SFHVURJKSA-N	0	3	318.461	2.794	20	30		DFEDHN
COC(=O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C	ZINC000347285995	428527597	/nfs/dbraw/zinc/52/75/97/428527597.db2.gz	NSRZLSMVCLDRJO-PBHICJAKSA-N	0	3	316.401	2.753	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1	ZINC000353538435	428584417	/nfs/dbraw/zinc/58/44/17/428584417.db2.gz	IBUVSVIVOHQIBI-UHFFFAOYSA-N	0	3	316.380	2.859	20	30		DFEDHN
CC(C)N1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)C1	ZINC000353543621	428585549	/nfs/dbraw/zinc/58/55/49/428585549.db2.gz	BDDMBFYKQOAQPH-NHYWBVRUSA-N	0	3	304.369	2.548	20	30		DFEDHN
CC#CCCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1	ZINC000361648991	428585613	/nfs/dbraw/zinc/58/56/13/428585613.db2.gz	WDUDNVZIDNGNDH-GOSISDBHSA-N	0	3	313.445	2.610	20	30		DFEDHN
Cc1cc(C)c(CN2CCC(n3cnc(C#N)n3)CC2)cc1C	ZINC000373479465	428587773	/nfs/dbraw/zinc/58/77/73/428587773.db2.gz	KQIRGVDCEWXUSL-UHFFFAOYSA-N	0	3	309.417	2.912	20	30		DFEDHN
C=C(C)COCCN[C@H](C)c1cccc(N2CCOCC2)c1	ZINC000358302347	428592693	/nfs/dbraw/zinc/59/26/93/428592693.db2.gz	QLWBDLAWVWIJOZ-MRXNPFEDSA-N	0	3	304.434	2.767	20	30		DFEDHN
CC(C)[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1C	ZINC000343228287	428538132	/nfs/dbraw/zinc/53/81/32/428538132.db2.gz	PHXDAIOSQUEIEQ-CQSZACIVSA-N	0	3	317.824	2.636	20	30		DFEDHN
CC(C)CCN(CCC#N)C[C@H]1CCO[C@H]1c1ccnn1C	ZINC000343238746	428538433	/nfs/dbraw/zinc/53/84/33/428538433.db2.gz	ZXYJPLOAUBSJFW-NVXWUHKLSA-N	0	3	304.438	2.759	20	30		DFEDHN
CCC1CCC(N(C)CC(=O)N(CCC#N)CCC#N)CC1	ZINC000353447463	428540813	/nfs/dbraw/zinc/54/08/13/428540813.db2.gz	MAZVHMLTAZZANN-UHFFFAOYSA-N	0	3	304.438	2.543	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccccc2F)CC1	ZINC000357583130	428548081	/nfs/dbraw/zinc/54/80/81/428548081.db2.gz	QOWJBDRDNBTHDO-CQSZACIVSA-N	0	3	320.408	2.750	20	30		DFEDHN
C=C(C)COCCN[C@@H](C)c1cccc(N2CCOCC2)c1	ZINC000358302345	428593996	/nfs/dbraw/zinc/59/39/96/428593996.db2.gz	QLWBDLAWVWIJOZ-INIZCTEOSA-N	0	3	304.434	2.767	20	30		DFEDHN
C#CCC(C)(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1	ZINC000373341383	428552635	/nfs/dbraw/zinc/55/26/35/428552635.db2.gz	XKFRQFMQPKUXCD-DZGCQCFKSA-N	0	3	304.459	2.907	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCCOC1)C(C)C	ZINC000357720942	428557341	/nfs/dbraw/zinc/55/73/41/428557341.db2.gz	HXJQFMVNBPAJIB-FUHWJXTLSA-N	0	3	308.466	2.618	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1	ZINC000357823814	428564895	/nfs/dbraw/zinc/56/48/95/428564895.db2.gz	ISNRNGIOSCTKIM-SUMWQHHRSA-N	0	3	318.380	2.939	20	30		DFEDHN
C=CCN1CCC(NC(=O)CCOc2ccc(Cl)cc2)CC1	ZINC000357818538	428565311	/nfs/dbraw/zinc/56/53/11/428565311.db2.gz	JUZLGQNIDLFOCT-UHFFFAOYSA-N	0	3	322.836	2.876	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(C#N)cn1C)N(C)C	ZINC000357873773	428570323	/nfs/dbraw/zinc/57/03/23/428570323.db2.gz	QNBTZZWXCQTRET-KBXCAEBGSA-N	0	3	324.428	2.626	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000361492314	428571230	/nfs/dbraw/zinc/57/12/30/428571230.db2.gz	GQESATOJBGZOMN-FUHWJXTLSA-N	0	3	313.445	2.752	20	30		DFEDHN
C=CCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000373416866	428571413	/nfs/dbraw/zinc/57/14/13/428571413.db2.gz	JNLMPXJTYSMUDP-UHFFFAOYSA-N	0	3	304.356	2.874	20	30		DFEDHN
CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000361495047	428573293	/nfs/dbraw/zinc/57/32/93/428573293.db2.gz	BQQXNOHTJKPRBJ-SJLPKXTDSA-N	0	3	313.445	2.610	20	30		DFEDHN
Cc1cc(C)c(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)[nH]1	ZINC000361543117	428576299	/nfs/dbraw/zinc/57/62/99/428576299.db2.gz	KQQCATVQMKJAAB-GFCCVEGCSA-N	0	3	318.336	2.837	20	30		DFEDHN
C[C@H](c1ccccc1)[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000347672582	428619597	/nfs/dbraw/zinc/61/95/97/428619597.db2.gz	JUUGHKOODGSOGZ-SUNYJGFJSA-N	0	3	307.397	2.866	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1	ZINC000347972511	428632849	/nfs/dbraw/zinc/63/28/49/428632849.db2.gz	QWVHHELKQPHYOF-GOSISDBHSA-N	0	3	303.365	2.865	20	30		DFEDHN
C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCOC1	ZINC000348142626	428641461	/nfs/dbraw/zinc/64/14/61/428641461.db2.gz	GCSUMRQAKQUFIK-YPMHNXCESA-N	0	3	321.808	2.555	20	30		DFEDHN
C=CCOCCCN1CCN(c2nc3ccccc3o2)[C@H](C)C1	ZINC000348044578	428636502	/nfs/dbraw/zinc/63/65/02/428636502.db2.gz	HGLUFJITRPNMKV-OAHLLOKOSA-N	0	3	315.417	2.931	20	30		DFEDHN
Cc1nc(CN2C[C@@H](F)C[C@@H]2CN(C)CCCC#N)cs1	ZINC000348188388	428647369	/nfs/dbraw/zinc/64/73/69/428647369.db2.gz	YKKFGHAVELTPID-DZGCQCFKSA-N	0	3	310.442	2.600	20	30		DFEDHN
Cc1cccc(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1	ZINC000348194426	428649369	/nfs/dbraw/zinc/64/93/69/428649369.db2.gz	RHXPATQJRPPLCB-LJQANCHMSA-N	0	3	317.392	2.908	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N(C)Cc2cnccc2C)CC1	ZINC000353720948	428675743	/nfs/dbraw/zinc/67/57/43/428675743.db2.gz	LTEXZMZCTFZJJS-UHFFFAOYSA-N	0	3	316.449	2.572	20	30		DFEDHN
CN(C(=O)c1ncc(C#N)cc1Cl)C(C)(C)CN1CCCC1	ZINC000416106902	428669098	/nfs/dbraw/zinc/66/90/98/428669098.db2.gz	NUEVNPFBDXQFNB-UHFFFAOYSA-N	0	3	320.824	2.553	20	30		DFEDHN
C=CCC1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CCC1	ZINC000358842194	428699642	/nfs/dbraw/zinc/69/96/42/428699642.db2.gz	QKPVNWUVOJNUHE-HOTGVXAUSA-N	0	3	308.466	2.738	20	30		DFEDHN
CCCN(C)[C@@H](CNC(=O)[C@@H](C)C#N)c1ccc(Cl)cc1	ZINC000358925960	428734394	/nfs/dbraw/zinc/73/43/94/428734394.db2.gz	FCPSJTFMNDSARB-WFASDCNBSA-N	0	3	307.825	2.999	20	30		DFEDHN
CCOC(=O)[C@@H]1CN(CCCSCC#N)Cc2ccccc21	ZINC000374406308	428680360	/nfs/dbraw/zinc/68/03/60/428680360.db2.gz	NDFLZDDFVBZZIR-MRXNPFEDSA-N	0	3	318.442	2.796	20	30		DFEDHN
Cc1ncsc1CN(C)C[C@@H]1CCN(CC2(C#N)CC2)C1	ZINC000362281706	428685002	/nfs/dbraw/zinc/68/50/02/428685002.db2.gz	YMUXEEUBJSCFEX-AWEZNQCLSA-N	0	3	304.463	2.509	20	30		DFEDHN
CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000348479472	428754662	/nfs/dbraw/zinc/75/46/62/428754662.db2.gz	OOTABQDLCTXXCA-AYDFFVQHSA-N	0	3	311.495	2.693	20	30		DFEDHN
N#Cc1c[nH]c(C(=O)NCc2ccccc2CN2CCCCC2)c1	ZINC000359049702	428792629	/nfs/dbraw/zinc/79/26/29/428792629.db2.gz	RQHLZIDQBMCCGD-UHFFFAOYSA-N	0	3	322.412	2.802	20	30		DFEDHN
CC(=O)N1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1	ZINC000359015355	428773748	/nfs/dbraw/zinc/77/37/48/428773748.db2.gz	MYKYFDADOBSMQF-DOMZBBRYSA-N	0	3	303.381	2.606	20	30		DFEDHN
C[C@@H](O)C[C@@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12	ZINC000348542282	428781197	/nfs/dbraw/zinc/78/11/97/428781197.db2.gz	BRGIOOHAOQLXTQ-ZBFHGGJFSA-N	0	3	312.417	2.721	20	30		DFEDHN
C=C(C)Cn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C	ZINC000358960066	428748551	/nfs/dbraw/zinc/74/85/51/428748551.db2.gz	RQWOFERREASETI-UONOGXRCSA-N	0	3	303.454	2.651	20	30		DFEDHN
C=C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1	ZINC000362672679	428799664	/nfs/dbraw/zinc/79/96/64/428799664.db2.gz	RTOVGPIJBGVAEP-ZIAGYGMSSA-N	0	3	307.463	2.834	20	30		DFEDHN
C=C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1	ZINC000362672668	428800151	/nfs/dbraw/zinc/80/01/51/428800151.db2.gz	RTOVGPIJBGVAEP-KBPBESRZSA-N	0	3	307.463	2.834	20	30		DFEDHN
C=C[C@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1	ZINC000362674304	428800233	/nfs/dbraw/zinc/80/02/33/428800233.db2.gz	WMUIERMQSHALNV-HNNXBMFYSA-N	0	3	323.481	2.674	20	30		DFEDHN
C[C@H](CCC#N)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000411596595	428821990	/nfs/dbraw/zinc/82/19/90/428821990.db2.gz	MIXPVRFIUOCKIP-RDBSUJKOSA-N	0	3	310.442	2.680	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000411635923	428828285	/nfs/dbraw/zinc/82/82/85/428828285.db2.gz	COHVTPWKFIURBR-YESZJQIVSA-N	0	3	309.498	2.604	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1noc(-c2ccccc2)n1	ZINC000411635886	428829163	/nfs/dbraw/zinc/82/91/63/428829163.db2.gz	CNZKWCDFPCRNHV-UHFFFAOYSA-N	0	3	300.406	2.676	20	30		DFEDHN
C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCCC[C@@H]1CC	ZINC000411642904	428831128	/nfs/dbraw/zinc/83/11/28/428831128.db2.gz	NVVUYHJFJQDUFD-IRXDYDNUSA-N	0	3	309.498	2.606	20	30		DFEDHN
CC(C)[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C	ZINC000348785435	428837833	/nfs/dbraw/zinc/83/78/33/428837833.db2.gz	BJOVCPLAJZHOHN-SFHVURJKSA-N	0	3	311.429	2.760	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Nc1ccnc(C)c1)C(C)C	ZINC000348845422	428856932	/nfs/dbraw/zinc/85/69/32/428856932.db2.gz	WALITTNHHDCNHT-QGZVFWFLSA-N	0	3	316.449	2.632	20	30		DFEDHN
C=CC[C@@H](CC)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C	ZINC000348855950	428860060	/nfs/dbraw/zinc/86/00/60/428860060.db2.gz	AZEQQGXSKJVRDC-SJORKVTESA-N	0	3	303.450	2.813	20	30		DFEDHN
Cc1n[nH]cc1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000375382366	428871058	/nfs/dbraw/zinc/87/10/58/428871058.db2.gz	WEGQCMRNIQQKQX-SFHVURJKSA-N	0	3	310.401	2.503	20	30		DFEDHN
C=CCN(Cc1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363184831	428877144	/nfs/dbraw/zinc/87/71/44/428877144.db2.gz	IREXXZVXHFSWPR-IBGZPJMESA-N	0	3	310.445	2.683	20	30		DFEDHN
C=C(CNC(=O)NCCCNCc1cccnc1)c1ccccc1	ZINC000418194872	428897860	/nfs/dbraw/zinc/89/78/60/428897860.db2.gz	FZPBJQUWAYTZCZ-UHFFFAOYSA-N	0	3	324.428	2.574	20	30		DFEDHN
N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](Cc1ccccc1)C(N)=O	ZINC000419373617	428930739	/nfs/dbraw/zinc/93/07/39/428930739.db2.gz	OMJDSUBOOQYDON-RBUKOAKNSA-N	0	3	319.408	2.622	20	30		DFEDHN
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[C@@H]1C(C)(C)C	ZINC000419322490	428931867	/nfs/dbraw/zinc/93/18/67/428931867.db2.gz	HMGDYPZTRBAVHP-HDMKZQKVSA-N	0	3	305.466	2.941	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074380	428941931	/nfs/dbraw/zinc/94/19/31/428941931.db2.gz	QZBLWLAWMRXROY-LSDHHAIUSA-N	0	3	324.465	2.511	20	30		DFEDHN
C[C@H](N[C@@H](CCO)C1CCOCC1)c1ccc(C#N)cc1F	ZINC000359388356	428951052	/nfs/dbraw/zinc/95/10/52/428951052.db2.gz	FHRZVCOQAUQYSA-SJCJKPOMSA-N	0	3	306.381	2.526	20	30		DFEDHN
CN(C[C@@H]1CCCN1C)c1c(C#N)cnc2c(F)cc(F)cc21	ZINC000420628993	428959817	/nfs/dbraw/zinc/95/98/17/428959817.db2.gz	BSWXSGGXSXYLDN-ZDUSSCGKSA-N	0	3	316.355	2.915	20	30		DFEDHN
CCCN(CCN1CCCCC1)C(=O)c1cscc1C#N	ZINC000354310778	428964126	/nfs/dbraw/zinc/96/41/26/428964126.db2.gz	GDGRFWWUZYLBRC-UHFFFAOYSA-N	0	3	305.447	2.958	20	30		DFEDHN
CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccco1	ZINC000355089943	429026748	/nfs/dbraw/zinc/02/67/48/429026748.db2.gz	JZBUPTZMBDURCJ-BYNSBNAKSA-N	0	3	318.421	2.700	20	30		DFEDHN
Cc1cc(C)n(CC2CCN(Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000375958228	429027206	/nfs/dbraw/zinc/02/72/06/429027206.db2.gz	BUACMVMBUUQNOZ-UHFFFAOYSA-N	0	3	311.433	2.622	20	30		DFEDHN
C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)[C@H](c1ccccc1)N(C)C	ZINC000355087708	429027885	/nfs/dbraw/zinc/02/78/85/429027885.db2.gz	ZANMCMBIRLFNFU-QMCVQRASSA-N	0	3	314.433	2.669	20	30		DFEDHN
CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)n1C	ZINC000451974594	429030342	/nfs/dbraw/zinc/03/03/42/429030342.db2.gz	SUJWEJLLBOPEAD-UHFFFAOYSA-N	0	3	316.449	2.623	20	30		DFEDHN
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)N(C)C	ZINC000412391893	429031864	/nfs/dbraw/zinc/03/18/64/429031864.db2.gz	ADMWHRFCLUJJJO-JTQLQIEISA-N	0	3	301.415	2.761	20	30		DFEDHN
CN(CCC#N)C(=O)CCN[C@@H](CC(F)F)c1ccccc1	ZINC000420989279	428975467	/nfs/dbraw/zinc/97/54/67/428975467.db2.gz	BWZCZZMCLHRTRJ-AWEZNQCLSA-N	0	3	309.360	2.735	20	30		DFEDHN
C=CCc1cc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc(OC)c1O	ZINC000354434900	428984492	/nfs/dbraw/zinc/98/44/92/428984492.db2.gz	BASQYMMVDAUBGD-ZIAGYGMSSA-N	0	3	304.434	2.654	20	30		DFEDHN
CON1CCC(NCc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000421410004	428994859	/nfs/dbraw/zinc/99/48/59/428994859.db2.gz	OGHQAEPWHBZMHI-UHFFFAOYSA-N	0	3	313.323	2.692	20	30		DFEDHN
COc1ccc(C#N)cc1CN(C)[C@@H]1C[C@H](OC)C12CCC2	ZINC000451856713	428998865	/nfs/dbraw/zinc/99/88/65/428998865.db2.gz	TYPKXPSTVZMUGM-SJORKVTESA-N	0	3	300.402	2.956	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NC(c1ccccc1)c1ccccc1	ZINC000424080906	429089080	/nfs/dbraw/zinc/08/90/80/429089080.db2.gz	UHFUTSQKZWNHCP-QGZVFWFLSA-N	0	3	307.397	2.913	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1	ZINC000424084699	429089964	/nfs/dbraw/zinc/08/99/64/429089964.db2.gz	CESBZVYUXBAGKE-OAHLLOKOSA-N	0	3	305.809	2.852	20	30		DFEDHN
Cc1ccnc(C2CCN(CCOc3ccc(C#N)cc3)CC2)n1	ZINC000376296448	429091005	/nfs/dbraw/zinc/09/10/05/429091005.db2.gz	PLYBRTIROVROSI-UHFFFAOYSA-N	0	3	322.412	2.915	20	30		DFEDHN
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@H](N)CCCC#N	ZINC000424125986	429094670	/nfs/dbraw/zinc/09/46/70/429094670.db2.gz	OKASZPHUSXUOIB-HFBAOOFYSA-N	0	3	303.381	2.586	20	30		DFEDHN
Cc1ccc([C@H]2CSCCN2C(=O)[C@H](N)CCCC#N)cc1	ZINC000424122454	429094829	/nfs/dbraw/zinc/09/48/29/429094829.db2.gz	JLFAWDITNYZCIL-HZPDHXFCSA-N	0	3	317.458	2.633	20	30		DFEDHN
CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000452035351	429042430	/nfs/dbraw/zinc/04/24/30/429042430.db2.gz	WQRGESGBDVELTR-ARFHVFGLSA-N	0	3	321.465	2.655	20	30		DFEDHN
CCCCc1nc2cc(NC(=O)[C@H](N)CCCC#N)ccc2[nH]1	ZINC000424131645	429096557	/nfs/dbraw/zinc/09/65/57/429096557.db2.gz	JOHXHGQLJBUENO-CYBMUJFWSA-N	0	3	313.405	2.865	20	30		DFEDHN
CCCCc1nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2[nH]1	ZINC000424131645	429096559	/nfs/dbraw/zinc/09/65/59/429096559.db2.gz	JOHXHGQLJBUENO-CYBMUJFWSA-N	0	3	313.405	2.865	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CO)CC2CCC2)cc1OC	ZINC000355531935	429050620	/nfs/dbraw/zinc/05/06/20/429050620.db2.gz	NHSWGWAJGVHAOX-INIZCTEOSA-N	0	3	305.418	2.901	20	30		DFEDHN
N#CCCCOc1cccc(N[C@@H](C2CC2)[C@H]2CNCCO2)c1	ZINC000423027408	429053983	/nfs/dbraw/zinc/05/39/83/429053983.db2.gz	OTDWQMAOCUERSY-MSOLQXFVSA-N	0	3	315.417	2.548	20	30		DFEDHN
C[C@H](Nc1ccc(N2CCNCC2)cn1)c1ccc(C#N)cc1	ZINC000423223558	429054411	/nfs/dbraw/zinc/05/44/11/429054411.db2.gz	AMBXCJMWIZNQJJ-AWEZNQCLSA-N	0	3	307.401	2.536	20	30		DFEDHN
COc1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1C#N	ZINC000376202496	429076059	/nfs/dbraw/zinc/07/60/59/429076059.db2.gz	ASAIIOZYRPDSFY-INIZCTEOSA-N	0	3	300.402	2.815	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)NCCSc1ccc(Cl)cc1	ZINC000424069612	429086091	/nfs/dbraw/zinc/08/60/91/429086091.db2.gz	VPYPDCMTTIRONO-ZDUSSCGKSA-N	0	3	311.838	2.569	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)NCC(c1ccccc1)c1ccccc1	ZINC000424068389	429086185	/nfs/dbraw/zinc/08/61/85/429086185.db2.gz	RUUIZYYEZSOJSA-LJQANCHMSA-N	0	3	321.424	2.956	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)oc1C)C(C)C	ZINC000435459698	429144156	/nfs/dbraw/zinc/14/41/56/429144156.db2.gz	OODIOSIHGRCVBQ-QGZVFWFLSA-N	0	3	315.417	2.888	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1ccccc1	ZINC000424508453	429146980	/nfs/dbraw/zinc/14/69/80/429146980.db2.gz	MRGSRPSJFHZFTF-JQHSSLGASA-N	0	3	316.445	2.604	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)Cc1cccs1	ZINC000424504963	429147472	/nfs/dbraw/zinc/14/74/72/429147472.db2.gz	AXNQZCWWKKFXCN-CVEARBPZSA-N	0	3	322.474	2.620	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C)cc1CN(C)C	ZINC000424499934	429147786	/nfs/dbraw/zinc/14/77/86/429147786.db2.gz	HGSPBUMZNGCLLB-WBVHZDCISA-N	0	3	302.418	2.976	20	30		DFEDHN
C=CCC[C@@H](CC)N1CCC(C(=O)OCC)([S@](C)=O)CC1	ZINC000453290743	429148006	/nfs/dbraw/zinc/14/80/06/429148006.db2.gz	UWSMLNMAZPCPJO-SZNDQCEHSA-N	0	3	315.479	2.507	20	30		DFEDHN
C=CCn1c(CCCC)nnc1N1CCCN(C(C)C)CC1	ZINC000453426658	429149756	/nfs/dbraw/zinc/14/97/56/429149756.db2.gz	SRSVRVKQBPZXJR-UHFFFAOYSA-N	0	3	305.470	2.727	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CC(C)C)CN1CCCC1	ZINC000424535292	429150409	/nfs/dbraw/zinc/15/04/09/429150409.db2.gz	TXFFYFHMRPOJPD-BBWFWOEESA-N	0	3	308.466	2.594	20	30		DFEDHN
C=CCn1c(C(C)C)nnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000453444727	429150538	/nfs/dbraw/zinc/15/05/38/429150538.db2.gz	NKOAWDYKJDTDPG-ARFHVFGLSA-N	0	3	317.481	2.754	20	30		DFEDHN
CC1CCN(c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)CC1	ZINC000424143909	429098315	/nfs/dbraw/zinc/09/83/15/429098315.db2.gz	KDJVCUDGHYFITK-KRWDZBQOSA-N	0	3	314.433	2.883	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21	ZINC000424171166	429104280	/nfs/dbraw/zinc/10/42/80/429104280.db2.gz	LKDVUHKFBKSWBV-ZIAGYGMSSA-N	0	3	321.808	2.691	20	30		DFEDHN
COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@H](N)CCCC#N)[C@@H]2C	ZINC000424184216	429107176	/nfs/dbraw/zinc/10/71/76/429107176.db2.gz	CSXXDEKMZOMYBP-OGHNNQOOSA-N	0	3	315.417	2.551	20	30		DFEDHN
C=C[C@@H]1CCCCN1C(=O)NCc1cccc(CN(C)C)c1	ZINC000494658037	429137919	/nfs/dbraw/zinc/13/79/19/429137919.db2.gz	WGRAFSIJIHOTSH-QGZVFWFLSA-N	0	3	301.434	2.998	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccsc1	ZINC000487193628	429140549	/nfs/dbraw/zinc/14/05/49/429140549.db2.gz	ZPQUJTVMRDNPJG-HOCLYGCPSA-N	0	3	314.410	2.670	20	30		DFEDHN
Cc1nn(C)cc1[C@H]1CCCN1CCOc1ccc(C#N)cc1	ZINC000363919778	429141769	/nfs/dbraw/zinc/14/17/69/429141769.db2.gz	HFDPDCGBNPZYMC-GOSISDBHSA-N	0	3	310.401	2.816	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CN(CC)C2CC2)cc1	ZINC000452925542	429142103	/nfs/dbraw/zinc/14/21/03/429142103.db2.gz	IDARNHUCBTUNBJ-MSOLQXFVSA-N	0	3	314.429	2.744	20	30		DFEDHN
CCN1CCC[C@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000454373874	429164367	/nfs/dbraw/zinc/16/43/67/429164367.db2.gz	RMOBOTXQPSPFCT-KRWDZBQOSA-N	0	3	313.445	2.727	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)CC1	ZINC000454534322	429167103	/nfs/dbraw/zinc/16/71/03/429167103.db2.gz	DXUJVGCAAYRYSN-HOTGVXAUSA-N	0	3	305.466	2.857	20	30		DFEDHN
CCN1CCN(c2cccc(Nc3ccc(C#N)c(C)n3)c2)CC1	ZINC000487746243	429167776	/nfs/dbraw/zinc/16/77/76/429167776.db2.gz	BEJQVIBUCSNGKR-UHFFFAOYSA-N	0	3	321.428	3.147	20	30		DFEDHN
Cc1nc(NC[C@H](c2ccccc2)N2CCCC2)ccc1C#N	ZINC000487895379	429172075	/nfs/dbraw/zinc/17/20/75/429172075.db2.gz	INGIGHCPUGPQDS-GOSISDBHSA-N	0	3	306.413	3.511	20	30		DFEDHN
C=C(C)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000454838520	429173555	/nfs/dbraw/zinc/17/35/55/429173555.db2.gz	ODWSUGVYHKBBPI-INIZCTEOSA-N	0	3	301.434	2.726	20	30		DFEDHN
Cc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N2CCCC2)o1	ZINC000488066959	429176355	/nfs/dbraw/zinc/17/63/55/429176355.db2.gz	IEHSTONFSGSZAX-INIZCTEOSA-N	0	3	310.401	3.412	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H](C)C1	ZINC000488745644	429196014	/nfs/dbraw/zinc/19/60/14/429196014.db2.gz	DUAFQOFTQNBCKY-YZVOILCLSA-N	0	3	324.472	2.999	20	30		DFEDHN
CCN1CCC[C@@H]1CN(C)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455781266	429210773	/nfs/dbraw/zinc/21/07/73/429210773.db2.gz	IYLUYALOPRXUHM-GFCCVEGCSA-N	0	3	321.812	2.555	20	30		DFEDHN
N#CCc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1	ZINC000455918874	429224915	/nfs/dbraw/zinc/22/49/15/429224915.db2.gz	LTEUXTCBSMEICL-QGZVFWFLSA-N	0	3	312.417	2.845	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CC#N)c1	ZINC000455917934	429225238	/nfs/dbraw/zinc/22/52/38/429225238.db2.gz	KNRUSVZMCFFANU-CABCVRRESA-N	0	3	314.433	2.995	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(CC#N)c1	ZINC000455927360	429225443	/nfs/dbraw/zinc/22/54/43/429225443.db2.gz	ZUFVCJFNTBYGOO-INIZCTEOSA-N	0	3	300.406	2.701	20	30		DFEDHN
CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cccc(CC#N)c1	ZINC000455923470	429225513	/nfs/dbraw/zinc/22/55/13/429225513.db2.gz	TXZJGQNLMDDLNJ-OAHLLOKOSA-N	0	3	300.406	2.558	20	30		DFEDHN
COc1cc(CN[C@@H](C)[C@@H](O)Cc2ccccc2)ccc1C#N	ZINC000440633354	429226478	/nfs/dbraw/zinc/22/64/78/429226478.db2.gz	DWCVQIWTWMHODI-KSSFIOAISA-N	0	3	310.397	2.649	20	30		DFEDHN
C[C@@H](C#N)C(=O)Nc1ccc(OCCN2CCCCC2)cc1	ZINC000489298175	429227400	/nfs/dbraw/zinc/22/74/00/429227400.db2.gz	UKKDWKJRQNLFHJ-AWEZNQCLSA-N	0	3	301.390	2.649	20	30		DFEDHN
Cn1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cc1C#N	ZINC000364571777	429227570	/nfs/dbraw/zinc/22/75/70/429227570.db2.gz	AQHBSEBNTHWNJY-KRWDZBQOSA-N	0	3	319.412	2.527	20	30		DFEDHN
Cc1cc(C#N)cc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1	ZINC000455977690	429228330	/nfs/dbraw/zinc/22/83/30/429228330.db2.gz	CDENDIFIZVKCIX-CQSZACIVSA-N	0	3	300.406	2.672	20	30		DFEDHN
CC(=O)c1ccc(C#N)cc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000488772694	429196805	/nfs/dbraw/zinc/19/68/05/429196805.db2.gz	ZWSXHWDWAQSJAR-HBUWYVDXSA-N	0	3	311.429	2.927	20	30		DFEDHN
C=CCOc1ccccc1CN[C@@H]1CCN(C(=O)OCC)C1	ZINC000495341793	429200897	/nfs/dbraw/zinc/20/08/97/429200897.db2.gz	GOTZCUIEHZUKQW-OAHLLOKOSA-N	0	3	304.390	2.572	20	30		DFEDHN
N#Cc1cccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)c1	ZINC000364434567	429202908	/nfs/dbraw/zinc/20/29/08/429202908.db2.gz	NHTLCEGPYNAXLN-LJQANCHMSA-N	0	3	303.365	2.654	20	30		DFEDHN
CN(C)CC(C)(C)NC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455726857	429204506	/nfs/dbraw/zinc/20/45/06/429204506.db2.gz	FIPPRMVEUSKHEZ-UHFFFAOYSA-N	0	3	308.813	2.868	20	30		DFEDHN
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C1CC1)N1CCCC1	ZINC000425127341	429236392	/nfs/dbraw/zinc/23/63/92/429236392.db2.gz	IUZPOSMPTFXKLN-KSSFIOAISA-N	0	3	311.429	2.952	20	30		DFEDHN
N#C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2N2CCOCC2)C1	ZINC000442865826	429238983	/nfs/dbraw/zinc/23/89/83/429238983.db2.gz	UWXTZPYRTFYGIH-CZUORRHYSA-N	0	3	319.836	2.958	20	30		DFEDHN
CN(C(=O)C(C#N)CCc1ccccc1)[C@@H](CO)c1ccccc1	ZINC000456088853	429239667	/nfs/dbraw/zinc/23/96/67/429239667.db2.gz	UQBCBXLKCJPICW-MOPGFXCFSA-N	0	3	322.408	2.951	20	30		DFEDHN
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@H]2CC[C@@H](C#N)C2)C1	ZINC000495661887	429241487	/nfs/dbraw/zinc/24/14/87/429241487.db2.gz	NLEAEEPJZLWECL-JKIFEVAISA-N	0	3	307.438	2.915	20	30		DFEDHN
CN(CCCO)Cc1cccc(OCc2ccccc2C#N)c1	ZINC000442968460	429242788	/nfs/dbraw/zinc/24/27/88/429242788.db2.gz	QXBFUIDADXCLMQ-UHFFFAOYSA-N	0	3	310.397	2.951	20	30		DFEDHN
CN(C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1)C(=O)OC(C)(C)C	ZINC000495728270	429255020	/nfs/dbraw/zinc/25/50/20/429255020.db2.gz	KVXJGRNQXSVYCA-SOUVJXGZSA-N	0	3	307.438	2.867	20	30		DFEDHN
Cc1cc(CNCc2ccnc(-n3cccn3)c2)ccc1C#N	ZINC000443983321	429259314	/nfs/dbraw/zinc/25/93/14/429259314.db2.gz	HBPDEOHXIVRHDC-UHFFFAOYSA-N	0	3	303.369	2.737	20	30		DFEDHN
CN(CCCCC(C)(C)C#N)CC(=O)NCc1ccccc1	ZINC000444660173	429273828	/nfs/dbraw/zinc/27/38/28/429273828.db2.gz	ITFGVRZNRCVRJO-UHFFFAOYSA-N	0	3	301.434	2.955	20	30		DFEDHN
C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1	ZINC000425361616	429279115	/nfs/dbraw/zinc/27/91/15/429279115.db2.gz	ZOONRABOHDEOSE-QWHCGFSZSA-N	0	3	306.406	2.833	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H]2CCCN2CCOC)CCCCC1	ZINC000448915071	429321975	/nfs/dbraw/zinc/32/19/75/429321975.db2.gz	ZLHCMBXKVBKDRR-INIZCTEOSA-N	0	3	308.466	2.740	20	30		DFEDHN
C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H](C)C1	ZINC000491149951	429329754	/nfs/dbraw/zinc/32/97/54/429329754.db2.gz	RWUTUNFLQXTKRM-HRCADAONSA-N	0	3	320.481	2.688	20	30		DFEDHN
C[C@@H](NC1CCC(C)(C#N)CC1)c1nnnn1-c1ccccc1	ZINC000449138607	429342228	/nfs/dbraw/zinc/34/22/28/429342228.db2.gz	CPSQDYKGJFYILG-TUBUQKNSSA-N	0	3	310.405	2.785	20	30		DFEDHN
C#C[C@H](NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1)C(C)C	ZINC000491276432	429342420	/nfs/dbraw/zinc/34/24/20/429342420.db2.gz	JCDZUKVWZXSNKK-KKUMJFAQSA-N	0	3	305.422	2.666	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1	ZINC000491306571	429345900	/nfs/dbraw/zinc/34/59/00/429345900.db2.gz	SOLFOUWAXVYXOU-KTKRTIGZSA-N	0	3	311.429	2.904	20	30		DFEDHN
Cc1ccc(CNC(=O)C(C)C#N)c(OCC(F)(F)F)c1	ZINC000446519039	429299087	/nfs/dbraw/zinc/29/90/87/429299087.db2.gz	FHBUXZRFQIADOO-SNVBAGLBSA-N	0	3	300.280	2.712	20	30		DFEDHN
C=C(C)COCCN[C@H](CCn1cncn1)c1ccc(C)cc1	ZINC000446928143	429300981	/nfs/dbraw/zinc/30/09/81/429300981.db2.gz	FAUWLAUKJSZIDY-GOSISDBHSA-N	0	3	314.433	2.900	20	30		DFEDHN
C=CCOc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1	ZINC000447074179	429302777	/nfs/dbraw/zinc/30/27/77/429302777.db2.gz	CWTNOKXREKFVPS-UHFFFAOYSA-N	0	3	314.429	2.696	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC[C@@H]2N(C)CCCC2(C)C)nc1	ZINC000447805372	429306884	/nfs/dbraw/zinc/30/68/84/429306884.db2.gz	IUPSPDSNNFGGFA-HNNXBMFYSA-N	0	3	316.449	2.530	20	30		DFEDHN
Cc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C#N	ZINC000496125470	429310125	/nfs/dbraw/zinc/31/01/25/429310125.db2.gz	RYFULHNDXCTCAT-INIZCTEOSA-N	0	3	315.417	2.966	20	30		DFEDHN
COCC(C)(C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425510411	429312013	/nfs/dbraw/zinc/31/20/13/429312013.db2.gz	VHUYEPBAGCBGGD-HNNXBMFYSA-N	0	3	301.434	2.662	20	30		DFEDHN
CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)c1ccsc1	ZINC000448694666	429315608	/nfs/dbraw/zinc/31/56/08/429315608.db2.gz	OTPAWLKWRMTGQR-XNRPHZJLSA-N	0	3	305.447	2.797	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000457065586	429391095	/nfs/dbraw/zinc/39/10/95/429391095.db2.gz	YFYIKHMDYWVKRF-UHFFFAOYSA-N	0	3	311.429	2.580	20	30		DFEDHN
C#CCN(C[C@@H](O)c1ccc(F)cn1)[C@H]1CCc2ccccc21	ZINC000491697432	429392624	/nfs/dbraw/zinc/39/26/24/429392624.db2.gz	KPWVROHGQBVQCB-RBUKOAKNSA-N	0	3	310.372	2.877	20	30		DFEDHN
C#C[C@@H](CC)NC(=O)NC[C@H](c1cccs1)N1CCCC1	ZINC000491704544	429394772	/nfs/dbraw/zinc/39/47/72/429394772.db2.gz	HSUOOBLPJGJHQM-UONOGXRCSA-N	0	3	305.447	2.596	20	30		DFEDHN
C#CCN(C)CCCN[C@H](C)c1ncc(-c2ccccc2)n1C	ZINC000491730059	429398402	/nfs/dbraw/zinc/39/84/02/429398402.db2.gz	HBIYNQYFOURRIE-MRXNPFEDSA-N	0	3	310.445	2.693	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(CC)[C@H](C)c1ccc(F)cc1	ZINC000491765496	429405625	/nfs/dbraw/zinc/40/56/25/429405625.db2.gz	DJLLCFZEFZQHGM-OAHLLOKOSA-N	0	3	319.424	2.873	20	30		DFEDHN
CC(C#N)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1	ZINC000491366297	429353896	/nfs/dbraw/zinc/35/38/96/429353896.db2.gz	JPXHQNWHALFWLA-ZDUSSCGKSA-N	0	3	323.437	2.880	20	30		DFEDHN
C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N1[C@H](C)CC[C@@H]1C	ZINC000456844365	429354615	/nfs/dbraw/zinc/35/46/15/429354615.db2.gz	SOKVMQWEIFVZCH-XQQFMLRXSA-N	0	3	303.381	2.575	20	30		DFEDHN
Cc1cc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1C#N	ZINC000449413163	429409718	/nfs/dbraw/zinc/40/97/18/429409718.db2.gz	QJEDEVSCVMDWHO-INIZCTEOSA-N	0	3	313.445	2.980	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N[C@H](CC(F)F)c1ccccc1	ZINC000491506993	429368109	/nfs/dbraw/zinc/36/81/09/429368109.db2.gz	SIVPDFACLSDKTR-OAHLLOKOSA-N	0	3	323.387	2.637	20	30		DFEDHN
COC[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1	ZINC000456973220	429371207	/nfs/dbraw/zinc/37/12/07/429371207.db2.gz	VNDSULKXQAFJKO-IRXDYDNUSA-N	0	3	300.402	2.786	20	30		DFEDHN
CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000515468711	429377696	/nfs/dbraw/zinc/37/76/96/429377696.db2.gz	RUAMNQLMGHJWHD-CQSZACIVSA-N	0	3	309.360	2.686	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21	ZINC000515605934	429378186	/nfs/dbraw/zinc/37/81/86/429378186.db2.gz	KRHROQISJHQLEQ-OKZBNKHCSA-N	0	3	324.424	2.786	20	30		DFEDHN
C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C	ZINC000491620352	429379856	/nfs/dbraw/zinc/37/98/56/429379856.db2.gz	GEAHBFLRVHCWGE-YQQAZPJKSA-N	0	3	301.434	2.649	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000516951878	429385248	/nfs/dbraw/zinc/38/52/48/429385248.db2.gz	YEIPDKULEACMGZ-KURKYZTESA-N	0	3	314.429	2.503	20	30		DFEDHN
COc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1C#N	ZINC000449553607	429447676	/nfs/dbraw/zinc/44/76/76/429447676.db2.gz	MEUPQBIMQSDJHH-INMHGKMJSA-N	0	3	300.402	2.550	20	30		DFEDHN
CC(C#N)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000492026698	429454142	/nfs/dbraw/zinc/45/41/42/429454142.db2.gz	UQELVRLHSXHBAC-JSGCOSHPSA-N	0	3	317.389	2.528	20	30		DFEDHN
CCc1ncc(CNC2CCN(c3ccc(C#N)cc3)CC2)o1	ZINC000449609830	429459728	/nfs/dbraw/zinc/45/97/28/429459728.db2.gz	OONNXBSRGBTNER-UHFFFAOYSA-N	0	3	310.401	2.867	20	30		DFEDHN
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H](C)N1CCC[C@H](C)C1	ZINC000457440701	429465159	/nfs/dbraw/zinc/46/51/59/429465159.db2.gz	COVVHUVJYBMTTM-MWDXBVQZSA-N	0	3	308.466	2.594	20	30		DFEDHN
C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)c(N)n2)CC1	ZINC000519608066	429469574	/nfs/dbraw/zinc/46/95/74/429469574.db2.gz	HNAGRZHGXVKZKV-CQSZACIVSA-N	0	3	321.428	3.173	20	30		DFEDHN
C#CCNC(=O)CCN[C@H]1CCSc2ccc(Cl)cc21	ZINC000491804928	429411856	/nfs/dbraw/zinc/41/18/56/429411856.db2.gz	MYVVNYRAAMKYIZ-ZDUSSCGKSA-N	0	3	308.834	2.606	20	30		DFEDHN
C#CCN(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1	ZINC000491820383	429415614	/nfs/dbraw/zinc/41/56/14/429415614.db2.gz	RGDZDVDKXHHCRN-GOSISDBHSA-N	0	3	312.438	2.909	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1occc1-c1ccc(F)cc1	ZINC000491819037	429416077	/nfs/dbraw/zinc/41/60/77/429416077.db2.gz	RZOFAMLJUDEDAE-UHFFFAOYSA-N	0	3	314.360	2.771	20	30		DFEDHN
CN(C)C/C=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000491891211	429428281	/nfs/dbraw/zinc/42/82/81/429428281.db2.gz	YSCZGIAIOXMKEK-UXBLZVDNSA-N	0	3	305.381	2.538	20	30		DFEDHN
C=CCN1CCC(NC(=O)[C@H]2CCCc3sccc32)CC1	ZINC000366579953	429480882	/nfs/dbraw/zinc/48/08/82/429480882.db2.gz	KZQXRTSTFHJUEK-HNNXBMFYSA-N	0	3	304.459	2.935	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(OC(F)F)c(OC)c1	ZINC000449701844	429485356	/nfs/dbraw/zinc/48/53/56/429485356.db2.gz	TVWIGLYPRHBOSM-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N1CCC(C)CC1	ZINC000519822200	429492305	/nfs/dbraw/zinc/49/23/05/429492305.db2.gz	PTGQGQIDDOHLCJ-INIZCTEOSA-N	0	3	320.481	2.832	20	30		DFEDHN
COc1ccc(CNC[C@H](O)C2CCC2)cc1OCCCC#N	ZINC000449742410	429492888	/nfs/dbraw/zinc/49/28/88/429492888.db2.gz	ZQLBPIUXZUAOHM-INIZCTEOSA-N	0	3	318.417	2.628	20	30		DFEDHN
C[C@H]1C[C@H](O)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000449764682	429502429	/nfs/dbraw/zinc/50/24/29/429502429.db2.gz	CZWGLTNVMLOVDD-YJBOKZPZSA-N	0	3	324.428	2.666	20	30		DFEDHN
Cc1cc(C(=O)Nc2ccccc2CCN(C)C)ncc1C#N	ZINC000457746753	429520070	/nfs/dbraw/zinc/52/00/70/429520070.db2.gz	JZHSBVBSQGYEBV-UHFFFAOYSA-N	0	3	308.385	2.618	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]1C1CC1)C(C)C	ZINC000457759114	429521308	/nfs/dbraw/zinc/52/13/08/429521308.db2.gz	VOPHENBDAJJVRE-IAGOWNOFSA-N	0	3	305.466	2.879	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2cccc3c2O[C@@H](C)C3)CC1	ZINC000449846146	429522633	/nfs/dbraw/zinc/52/26/33/429522633.db2.gz	VXIURTRMGCSCNB-AWEZNQCLSA-N	0	3	314.429	2.780	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCOCC2	ZINC000367024336	429559803	/nfs/dbraw/zinc/55/98/03/429559803.db2.gz	YCGFVOSROKDGNY-MSOLQXFVSA-N	0	3	317.404	2.741	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000450063678	429563294	/nfs/dbraw/zinc/56/32/94/429563294.db2.gz	YOKCTMKLXCWUOY-MGTHKWJCSA-N	0	3	311.429	2.705	20	30		DFEDHN
CC(C)[C@H](CNc1nccc(C#N)n1)N1CCc2ccccc2C1	ZINC000450248923	429585772	/nfs/dbraw/zinc/58/57/72/429585772.db2.gz	UUCWWGYUCGTZNV-SFHVURJKSA-N	0	3	321.428	2.843	20	30		DFEDHN
C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCC[C@@H](C)C1	ZINC000450257303	429587090	/nfs/dbraw/zinc/58/70/90/429587090.db2.gz	KTJJYTAYGUNALD-OLZOCXBDSA-N	0	3	302.378	2.999	20	30		DFEDHN
CC(C)(C)N1CCCN(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000520975075	429534215	/nfs/dbraw/zinc/53/42/15/429534215.db2.gz	MEDPQKBRFQFHCB-UHFFFAOYSA-N	0	3	300.406	2.896	20	30		DFEDHN
C[C@]1(CNC(=O)c2c[nH]c(C#N)c2)CCN(Cc2ccccc2)C1	ZINC000366897632	429535831	/nfs/dbraw/zinc/53/58/31/429535831.db2.gz	RSFHGAYLSPBUAG-LJQANCHMSA-N	0	3	322.412	2.528	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)NCCCCC#N	ZINC000458296165	429615204	/nfs/dbraw/zinc/61/52/04/429615204.db2.gz	QULSNWXIKNWIJR-UHFFFAOYSA-N	0	3	308.451	2.515	20	30		DFEDHN
C[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN(C2CCC2)C1	ZINC000492844459	429628888	/nfs/dbraw/zinc/62/88/88/429628888.db2.gz	WPLVMUNEKLOMKH-HLRDLLSLSA-N	0	3	323.440	2.904	20	30		DFEDHN
C[C@H](CN1CCCCCC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450455821	429631307	/nfs/dbraw/zinc/63/13/07/429631307.db2.gz	OPEDLGHOJIRJTB-GFCCVEGCSA-N	0	3	303.366	2.538	20	30		DFEDHN
CC(C)[C@H](CNC(=O)c1ccc(C#N)o1)N1CCC(C)CC1	ZINC000429866358	429637081	/nfs/dbraw/zinc/63/70/81/429637081.db2.gz	KVDNOBUDTHIVAP-HNNXBMFYSA-N	0	3	303.406	2.638	20	30		DFEDHN
C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CCN(C2CC2)C1	ZINC000450548748	429644237	/nfs/dbraw/zinc/64/42/37/429644237.db2.gz	TZIDFCVWXGRUEV-LLVKDONJSA-N	0	3	324.350	2.893	20	30		DFEDHN
Cc1nc(COc2ccc(CNCC3(CC#N)CC3)cc2)no1	ZINC000430022956	429645658	/nfs/dbraw/zinc/64/56/58/429645658.db2.gz	PSUMWDIDMKOIQN-UHFFFAOYSA-N	0	3	312.373	2.741	20	30		DFEDHN
C[C@@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450325789	429598923	/nfs/dbraw/zinc/59/89/23/429598923.db2.gz	VKZDTHZAHFVETF-TXEJJXNPSA-N	0	3	303.366	2.536	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450325790	429599449	/nfs/dbraw/zinc/59/94/49/429599449.db2.gz	VKZDTHZAHFVETF-VXGBXAGGSA-N	0	3	303.366	2.536	20	30		DFEDHN
Cc1ccc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)cc1C#N	ZINC000367252242	429605070	/nfs/dbraw/zinc/60/50/70/429605070.db2.gz	PVSHASCKRMDCDZ-OALUTQOASA-N	0	3	319.408	2.694	20	30		DFEDHN
CC(C)COC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1	ZINC000367295148	429614281	/nfs/dbraw/zinc/61/42/81/429614281.db2.gz	IDSGUGNBYYQQHD-IBGZPJMESA-N	0	3	314.429	2.681	20	30		DFEDHN
N#Cc1ncn(CCN[C@H]2CC3(CCCC3)Oc3ccccc32)n1	ZINC000367534235	429665294	/nfs/dbraw/zinc/66/52/94/429665294.db2.gz	SWXZLNYXAHPQDL-HNNXBMFYSA-N	0	3	323.400	2.576	20	30		DFEDHN
C#CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F	ZINC000367599843	429683124	/nfs/dbraw/zinc/68/31/24/429683124.db2.gz	ICWMCOZUZJKXCS-INIZCTEOSA-N	0	3	320.383	2.673	20	30		DFEDHN
CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc(C#N)cc1[N+](=O)[O-]	ZINC000267525361	276234102	/nfs/dbraw/zinc/23/41/02/276234102.db2.gz	HVTHABRXJATGMZ-KGLIPLIRSA-N	0	3	300.362	2.529	20	30		DFEDHN
CC(C)OC1CC(N(C)CCOCc2ccc(C#N)cc2)C1	ZINC000459542243	429699340	/nfs/dbraw/zinc/69/93/40/429699340.db2.gz	XMDJCGFUGPBBOM-UHFFFAOYSA-N	0	3	302.418	2.963	20	30		DFEDHN
CN(CCCc1[nH]nc(N)c1C#N)Cc1cccc(Cl)c1F	ZINC000525972109	429691646	/nfs/dbraw/zinc/69/16/46/429691646.db2.gz	LJVBWWDHVQRYNV-UHFFFAOYSA-N	0	3	321.787	2.721	20	30		DFEDHN
COc1cc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N	ZINC000459778981	429702359	/nfs/dbraw/zinc/70/23/59/429702359.db2.gz	UJINRGCDFHVGDB-CYBMUJFWSA-N	0	3	318.417	2.976	20	30		DFEDHN
Cc1cc(C#N)cc(NC[C@H]2CCN(C)[C@H]2c2cccs2)n1	ZINC000367732474	429708211	/nfs/dbraw/zinc/70/82/11/429708211.db2.gz	ZPJDRFUKPVXWNI-RHSMWYFYSA-N	0	3	312.442	3.428	20	30		DFEDHN
CC1(C)CN(CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)C1	ZINC000466943806	429709111	/nfs/dbraw/zinc/70/91/11/429709111.db2.gz	RRMKWFSRRKWKDC-UHFFFAOYSA-N	0	3	313.445	2.933	20	30		DFEDHN
Cc1ccc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)nc1C#N	ZINC000468726429	429710592	/nfs/dbraw/zinc/71/05/92/429710592.db2.gz	SCDZJXSWGNPDEK-RDJZCZTQSA-N	0	3	306.413	3.509	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(C)C	ZINC000470869090	429711328	/nfs/dbraw/zinc/71/13/28/429711328.db2.gz	WORFIKQRKZHCLD-HNNXBMFYSA-N	0	3	318.421	3.409	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)CN1CCC(C)CC1)C(C)C	ZINC000475044457	429716140	/nfs/dbraw/zinc/71/61/40/429716140.db2.gz	AYIFIXNEZDIZJX-SFHVURJKSA-N	0	3	321.509	2.533	20	30		DFEDHN
C=C(C)CN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000482870184	429728549	/nfs/dbraw/zinc/72/85/49/429728549.db2.gz	DVTFMIAFTBTSCE-UHFFFAOYSA-N	0	3	310.397	2.881	20	30		DFEDHN
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccccc2)[C@@H]1C	ZINC000527297567	429739879	/nfs/dbraw/zinc/73/98/79/429739879.db2.gz	ILMCYICNTNMJFH-ZMSDIMECSA-N	0	3	311.429	2.815	20	30		DFEDHN
C=CCN(CC(=O)NC(=O)NCCCC)CC1CCCCC1	ZINC000484513482	429741142	/nfs/dbraw/zinc/74/11/42/429741142.db2.gz	KBCQKMYUKLMZKY-UHFFFAOYSA-N	0	3	309.454	2.681	20	30		DFEDHN
N#CCCn1cc(CNCC23CC(C2)CO3)c(-c2ccccc2)n1	ZINC000527791389	429798134	/nfs/dbraw/zinc/79/81/34/429798134.db2.gz	YBDRALVEFCVTRZ-UHFFFAOYSA-N	0	3	322.412	2.732	20	30		DFEDHN
CC(C)C[C@]1(C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000451289471	429804850	/nfs/dbraw/zinc/80/48/50/429804850.db2.gz	JOTFYKIAVTYFSS-KRWDZBQOSA-N	0	3	304.438	2.543	20	30		DFEDHN
CC(C)C[C@@]1(C)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000451289474	429805563	/nfs/dbraw/zinc/80/55/63/429805563.db2.gz	JOTFYKIAVTYFSS-QGZVFWFLSA-N	0	3	304.438	2.543	20	30		DFEDHN
C#CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@]12CCCO2	ZINC000368002898	429763618	/nfs/dbraw/zinc/76/36/18/429763618.db2.gz	UDGXZRPHQPMMEB-QYZOEREBSA-N	0	3	315.413	2.515	20	30		DFEDHN
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1	ZINC000451360170	429817203	/nfs/dbraw/zinc/81/72/03/429817203.db2.gz	DZSRSUJLNUALAR-WDDLDYLJSA-N	0	3	315.461	2.573	20	30		DFEDHN
CCn1ncc(CNC2CCC(C#N)(c3ccccc3)CC2)n1	ZINC000527921979	429821392	/nfs/dbraw/zinc/82/13/92/429821392.db2.gz	BBJOZBUPOCDDNG-UHFFFAOYSA-N	0	3	309.417	2.792	20	30		DFEDHN
CN1CCC[C@H](CNC(=O)CC#N)[C@H]1c1cccc(Cl)c1	ZINC000368382495	429839556	/nfs/dbraw/zinc/83/95/56/429839556.db2.gz	JCXVPUZRAIILPJ-CZUORRHYSA-N	0	3	305.809	2.753	20	30		DFEDHN
CN1CCC[C@@H](CNC(=O)CC#N)[C@H]1c1cccc(Cl)c1	ZINC000368382496	429840174	/nfs/dbraw/zinc/84/01/74/429840174.db2.gz	JCXVPUZRAIILPJ-XJKSGUPXSA-N	0	3	305.809	2.753	20	30		DFEDHN
CCOC(CN1CCC(Oc2ccc(C#N)cc2)CC1)OCC	ZINC000368434270	429849478	/nfs/dbraw/zinc/84/94/78/429849478.db2.gz	ITRMKKILZFSRNL-UHFFFAOYSA-N	0	3	318.417	2.801	20	30		DFEDHN
CC(C)[C@H]1CN(c2cc(C#N)cnn2)CCN1Cc1ccccc1	ZINC000528128472	429851312	/nfs/dbraw/zinc/85/13/12/429851312.db2.gz	VNSSTFJPWMNPEW-GOSISDBHSA-N	0	3	321.428	2.695	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1	ZINC000451595092	429859233	/nfs/dbraw/zinc/85/92/33/429859233.db2.gz	CEOPEYYIGZPQLW-HPBDAGMYSA-N	0	3	316.445	2.966	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000451607070	429861026	/nfs/dbraw/zinc/86/10/26/429861026.db2.gz	OMNMBGKPDCHGLM-MMNPAVHPSA-N	0	3	314.429	2.676	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1Br	ZINC000451608639	429861400	/nfs/dbraw/zinc/86/14/00/429861400.db2.gz	OOZUKKGVOLJALY-OLZOCXBDSA-N	0	3	312.207	2.761	20	30		DFEDHN
C[C@H](C#N)Oc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1	ZINC000368554360	429865502	/nfs/dbraw/zinc/86/55/02/429865502.db2.gz	BVODZCDJURGNJK-OMWUSAIZSA-N	0	3	324.380	2.562	20	30		DFEDHN
Cn1cc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1C#N	ZINC000368226457	429812357	/nfs/dbraw/zinc/81/23/57/429812357.db2.gz	KOSHWFHABSHPTP-LJQANCHMSA-N	0	3	307.397	2.866	20	30		DFEDHN
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H](C#N)CCC#N)C1	ZINC000451708064	429876879	/nfs/dbraw/zinc/87/68/79/429876879.db2.gz	MDKYXXFEEXQAPZ-HKUYNNGSSA-N	0	3	310.445	2.884	20	30		DFEDHN
Cc1csc([C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)n1	ZINC000528365361	429879976	/nfs/dbraw/zinc/87/99/76/429879976.db2.gz	XDSUWYOOTFYMOB-ZIAGYGMSSA-N	0	3	305.447	2.686	20	30		DFEDHN
C[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1ccccc1C#N	ZINC000528382875	429882891	/nfs/dbraw/zinc/88/28/91/429882891.db2.gz	UKCVMERMIOQQGQ-CRAIPNDOSA-N	0	3	322.408	2.917	20	30		DFEDHN
N#Cc1ncccc1N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	ZINC000368675602	429885771	/nfs/dbraw/zinc/88/57/71/429885771.db2.gz	LVPUKTGRIWWZGI-APWZRJJASA-N	0	3	304.397	2.664	20	30		DFEDHN
N#Cc1cccc(OCCCN2CCOCC3(CCC3)C2)c1	ZINC000368834080	429897439	/nfs/dbraw/zinc/89/74/39/429897439.db2.gz	KUSXBRQFLZIGHH-UHFFFAOYSA-N	0	3	300.402	2.830	20	30		DFEDHN
Cc1nn(C)cc1[C@H]1CCCN1CCCC1(C#N)CCOCC1	ZINC000369198785	429918551	/nfs/dbraw/zinc/91/85/51/429918551.db2.gz	QBQDRTGWSPTZGA-QGZVFWFLSA-N	0	3	316.449	2.966	20	30		DFEDHN
N#Cc1cccc(OCCN2CCCC[C@H]2Cn2cccn2)c1	ZINC000369258003	429921583	/nfs/dbraw/zinc/92/15/83/429921583.db2.gz	KEPDMCPXFCVJQO-KRWDZBQOSA-N	0	3	310.401	2.688	20	30		DFEDHN
N#Cc1cccc(CNC(=O)CN2CCC[C@@]3(CC=CCC3)C2)c1	ZINC000369328158	429924158	/nfs/dbraw/zinc/92/41/58/429924158.db2.gz	BFGYBXCKEXMAQW-FQEVSTJZSA-N	0	3	323.440	2.997	20	30		DFEDHN
COc1ccc(C#N)cc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1	ZINC000451701768	429874765	/nfs/dbraw/zinc/87/47/65/429874765.db2.gz	RGKJOIWBHIQDHV-INMHGKMJSA-N	0	3	300.402	2.550	20	30		DFEDHN
CN(Cc1cnc2c(C#N)cnn2c1)CC1(c2ccccc2)CC1	ZINC000573846666	429987303	/nfs/dbraw/zinc/98/73/03/429987303.db2.gz	FMKNQQUXBNYJLB-UHFFFAOYSA-N	0	3	317.396	2.765	20	30		DFEDHN
CCCn1nccc1C(=O)C(C#N)c1nc2ccccc2n1C	ZINC000573700077	429974716	/nfs/dbraw/zinc/97/47/16/429974716.db2.gz	VVIFXFSNZQICSR-LBPRGKRZSA-N	0	3	307.357	2.670	20	30		DFEDHN
Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1	ZINC000528917622	429933742	/nfs/dbraw/zinc/93/37/42/429933742.db2.gz	GLPKTPYKNNLVSL-QUEVPRLRSA-N	0	3	314.385	2.702	20	30		DFEDHN
C=CCN(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000369388462	429937134	/nfs/dbraw/zinc/93/71/34/429937134.db2.gz	WUGGDEZOPMCVTJ-KRWDZBQOSA-N	0	3	301.434	2.869	20	30		DFEDHN
C=CCN(C(=O)NC[C@@H]1CCN1C1CCCCC1)[C@H](C)COC	ZINC000637368006	430036623	/nfs/dbraw/zinc/03/66/23/430036623.db2.gz	NEOWWLHWZYQKFJ-WBVHZDCISA-N	0	3	323.481	2.626	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CNCC(C)(C)F)c(OC)c1	ZINC000634723124	430089500	/nfs/dbraw/zinc/08/95/00/430089500.db2.gz	AEZPDNSOMZLIPJ-CQSZACIVSA-N	0	3	311.397	2.501	20	30		DFEDHN
C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1	ZINC000637715709	430114485	/nfs/dbraw/zinc/11/44/85/430114485.db2.gz	CKJUCDOKWHBFLU-QGZVFWFLSA-N	0	3	301.434	2.787	20	30		DFEDHN
COc1ccc(CN2CCC[C@@]2(C)CO)cc1OCCCC#N	ZINC000530389082	430114580	/nfs/dbraw/zinc/11/45/80/430114580.db2.gz	WYQUDGDOTKHEET-SFHVURJKSA-N	0	3	318.417	2.725	20	30		DFEDHN
C=CCOc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1	ZINC000530026221	430096308	/nfs/dbraw/zinc/09/63/08/430096308.db2.gz	AWUDAENMOOPLOX-KRWDZBQOSA-N	0	3	314.429	2.998	20	30		DFEDHN
N#CCc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1	ZINC000577280612	430112649	/nfs/dbraw/zinc/11/26/49/430112649.db2.gz	ZXWRPZBRJNQWAG-UHFFFAOYSA-N	0	3	320.396	2.720	20	30		DFEDHN
C=CCC1(C(=O)NCCCCN2CCN(C)CC2)CCCCC1	ZINC000574598869	430050000	/nfs/dbraw/zinc/05/00/00/430050000.db2.gz	MTRGYXYWRHHESN-UHFFFAOYSA-N	0	3	321.509	2.657	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1c1cc[nH]n1	ZINC000574625730	430050451	/nfs/dbraw/zinc/05/04/51/430050451.db2.gz	VYIAYPWQXZORMF-RDJZCZTQSA-N	0	3	308.385	2.846	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCCOCC1CCC1	ZINC000574918416	430053218	/nfs/dbraw/zinc/05/32/18/430053218.db2.gz	MFSBDGDSUPQAFN-QGZVFWFLSA-N	0	3	300.402	2.692	20	30		DFEDHN
N#CCc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1	ZINC000529724325	430061959	/nfs/dbraw/zinc/06/19/59/430061959.db2.gz	YANDYKMKNKPBLQ-GOSISDBHSA-N	0	3	311.429	2.889	20	30		DFEDHN
C=C(C)COCCNC[C@H](O)COc1cccc2ccccc21	ZINC000577386993	430114061	/nfs/dbraw/zinc/11/40/61/430114061.db2.gz	YHOGHUJJLDMIFC-KRWDZBQOSA-N	0	3	315.413	2.762	20	30		DFEDHN
C=CCOCCNC[C@@H](O)COc1cc(Cl)cc(Cl)c1	ZINC000634711763	430086276	/nfs/dbraw/zinc/08/62/76/430086276.db2.gz	UGDHGTKTIZILAT-CYBMUJFWSA-N	0	3	320.216	2.525	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC12CCOCC2	ZINC000562627835	430157247	/nfs/dbraw/zinc/15/72/47/430157247.db2.gz	VVCXEHORQDCQAB-SJORKVTESA-N	0	3	312.413	2.692	20	30		DFEDHN
N#CC1CCC(CNCc2cnnn2Cc2ccccc2)CC1	ZINC000562359556	430124277	/nfs/dbraw/zinc/12/42/77/430124277.db2.gz	RMOXTSWHAZXYNL-UHFFFAOYSA-N	0	3	309.417	2.746	20	30		DFEDHN
C[C@H](c1ccncc1)N1CCC(NC[C@H](C#N)CCC#N)CC1	ZINC000562450889	430132669	/nfs/dbraw/zinc/13/26/69/430132669.db2.gz	YXLDAASVHTWZED-CVEARBPZSA-N	0	3	311.433	2.640	20	30		DFEDHN
CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(CC#N)cc1	ZINC000562503538	430138199	/nfs/dbraw/zinc/13/81/99/430138199.db2.gz	JAVINODDHOZYSH-MRXNPFEDSA-N	0	3	314.433	2.995	20	30		DFEDHN
C[C@H]1C[C@]1(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1	ZINC000580696033	430143692	/nfs/dbraw/zinc/14/36/92/430143692.db2.gz	UGENJOGZJOYFFJ-MAUKXSAKSA-N	0	3	303.450	2.699	20	30		DFEDHN
C=CCN(C)CCN(CC)Cc1nc(-c2ccc(C)cc2)no1	ZINC000563208558	430180496	/nfs/dbraw/zinc/18/04/96/430180496.db2.gz	XNSQXBPUIWFMRG-UHFFFAOYSA-N	0	3	314.433	2.985	20	30		DFEDHN
Cc1ccc(C[C@H](C)NCc2cnc3c(C#N)cnn3c2)c(C)c1	ZINC000581132499	430181003	/nfs/dbraw/zinc/18/10/03/430181003.db2.gz	KTLKOWLETGGADE-HNNXBMFYSA-N	0	3	319.412	2.939	20	30		DFEDHN
CC(C)(C)OC(=O)NC(C)(C)CNCc1ccc(C#N)cc1	ZINC000083475260	277197032	/nfs/dbraw/zinc/19/70/32/277197032.db2.gz	FVAXTUADHTXRBV-UHFFFAOYSA-N	0	3	303.406	2.951	20	30		DFEDHN
C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCC(=O)N2	ZINC000566221762	430247734	/nfs/dbraw/zinc/24/77/34/430247734.db2.gz	QSAAEZHJRSBZIZ-CYBMUJFWSA-N	0	3	321.380	2.934	20	30		DFEDHN
N#Cc1ccccc1NC(=O)CCN1CC[C@@H](c2ccncc2)C1	ZINC000566425344	430259398	/nfs/dbraw/zinc/25/93/98/430259398.db2.gz	UPGBTXZCBOIOKH-QGZVFWFLSA-N	0	3	320.396	2.771	20	30		DFEDHN
N#CCCCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000566677111	430270983	/nfs/dbraw/zinc/27/09/83/430270983.db2.gz	ZBJMBCPQEFCALJ-MRXNPFEDSA-N	0	3	317.408	2.848	20	30		DFEDHN
N#Cc1cccc(COc2cccc(CN[C@@H]3C[C@H]3CO)c2)c1	ZINC000566657080	430271290	/nfs/dbraw/zinc/27/12/90/430271290.db2.gz	DFCMSRPJFBYOQT-PKOBYXMFSA-N	0	3	308.381	2.608	20	30		DFEDHN
Cc1noc([C@H](C)N(C)C(=O)C(C#N)CCc2ccccc2)n1	ZINC000566748137	430273303	/nfs/dbraw/zinc/27/33/03/430273303.db2.gz	LTACCSUBTLTTAF-SWLSCSKDSA-N	0	3	312.373	2.670	20	30		DFEDHN
CCC[C@H](C)[C@H](CO)NC(=O)C(C#N)CCc1ccccc1	ZINC000565722295	430225259	/nfs/dbraw/zinc/22/52/59/430225259.db2.gz	OWZVCVTXOVFQCB-XIRDDKMYSA-N	0	3	302.418	2.672	20	30		DFEDHN
Cc1ccccc1[C@H](CO)NCCCOc1cccc(C#N)c1	ZINC000542911355	430230968	/nfs/dbraw/zinc/23/09/68/430230968.db2.gz	BMYJDGQFJURMNA-IBGZPJMESA-N	0	3	310.397	2.959	20	30		DFEDHN
CC[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1	ZINC000567708071	430286729	/nfs/dbraw/zinc/28/67/29/430286729.db2.gz	SZXSMFQWLWBVFQ-HOTGVXAUSA-N	0	3	309.841	2.587	20	30		DFEDHN
CN(C)Cc1cccc(C(=O)NCc2ccc(CC#N)cc2)c1	ZINC000567950461	430297105	/nfs/dbraw/zinc/29/71/05/430297105.db2.gz	PKHGDHBSRZSJBU-UHFFFAOYSA-N	0	3	307.397	2.744	20	30		DFEDHN
CCc1cccc(OC[C@H](O)CNCc2ccc(C#N)s2)c1	ZINC000582959651	430350656	/nfs/dbraw/zinc/35/06/56/430350656.db2.gz	IAXYQNIGXJJCCL-CQSZACIVSA-N	0	3	316.426	2.712	20	30		DFEDHN
C[C@H](NC(=O)Cc1cccc(C#N)c1)[C@H](c1ccccc1)N(C)C	ZINC000545317825	430314362	/nfs/dbraw/zinc/31/43/62/430314362.db2.gz	BOSJZWGCKORXHM-MGPUTAFESA-N	0	3	321.424	2.908	20	30		DFEDHN
C=C(C)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000568277163	430344551	/nfs/dbraw/zinc/34/45/51/430344551.db2.gz	PAKXPFDDNODDNS-SFHVURJKSA-N	0	3	301.434	2.916	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N[C@@H](C)CN1CCCCC1	ZINC000546708651	430365738	/nfs/dbraw/zinc/36/57/38/430365738.db2.gz	HGCSXCLLPUFJDN-ZDUSSCGKSA-N	0	3	316.405	2.563	20	30		DFEDHN
N#Cc1ccc(NC(=O)CCN2C[C@@H]3C[C@H]2CS3)cc1Cl	ZINC000568601668	430374600	/nfs/dbraw/zinc/37/46/00/430374600.db2.gz	ZGJWGAVMQZMPLL-STQMWFEESA-N	0	3	321.833	2.730	20	30		DFEDHN
CN(Cc1ccc(C#N)cn1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000568660158	430380672	/nfs/dbraw/zinc/38/06/72/430380672.db2.gz	UYKVRKXQZRSMEG-IBGZPJMESA-N	0	3	306.413	2.660	20	30		DFEDHN
C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cnc2c(C#N)cnn2c1	ZINC000568765542	430389979	/nfs/dbraw/zinc/38/99/79/430389979.db2.gz	KFANLQPXCRLYAP-KDOFPFPSSA-N	0	3	317.396	2.979	20	30		DFEDHN
Cc1cnccc1CCN1CCC(C#N)(c2ccccn2)CC1	ZINC000583496816	430401216	/nfs/dbraw/zinc/40/12/16/430401216.db2.gz	KFYNVQVYTVPACN-UHFFFAOYSA-N	0	3	306.413	2.885	20	30		DFEDHN
CCC(CC)[C@@H](CCNCc1cnc2c(C#N)cnn2c1)OC	ZINC000583565159	430406282	/nfs/dbraw/zinc/40/62/82/430406282.db2.gz	TUHJIYOXVDIVPW-MRXNPFEDSA-N	0	3	315.421	2.532	20	30		DFEDHN
C=CCC[C@H](CO)NCc1ccc(OC)cc1OC(F)F	ZINC000641760608	430463505	/nfs/dbraw/zinc/46/35/05/430463505.db2.gz	VGKUWQSIMQGJAB-GFCCVEGCSA-N	0	3	301.333	2.713	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cc1-n1cncn1	ZINC000584154410	430464259	/nfs/dbraw/zinc/46/42/59/430464259.db2.gz	ZJCBFZVHKUXYLV-ZBFHGGJFSA-N	0	3	318.808	2.744	20	30		DFEDHN
C=CCCC(C)(C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C	ZINC000638873644	430464557	/nfs/dbraw/zinc/46/45/57/430464557.db2.gz	CQJSZHKXGQPHEI-HBUWYVDXSA-N	0	3	308.466	2.628	20	30		DFEDHN
CC#CC[C@@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C	ZINC000641769729	430466874	/nfs/dbraw/zinc/46/68/74/430466874.db2.gz	ZDOLLWDKEVLOCM-INIZCTEOSA-N	0	3	317.820	2.698	20	30		DFEDHN
C[C@@H](c1ccccc1F)N(C)C[C@H]1CNc2c(C#N)cnn2C1	ZINC000584232764	430470499	/nfs/dbraw/zinc/47/04/99/430470499.db2.gz	VLWHTCSZUMZKCS-QWHCGFSZSA-N	0	3	313.380	2.629	20	30		DFEDHN
CCN(C[C@H]1CCCN1CC)C(=O)c1c(F)cc(C#N)cc1F	ZINC000547797814	430423038	/nfs/dbraw/zinc/42/30/38/430423038.db2.gz	KMPVOOFOTNZSJQ-CYBMUJFWSA-N	0	3	321.371	2.783	20	30		DFEDHN
CN1CC[C@@H]2CN(c3c(C#N)cnc4c(Cl)cccc43)C[C@@H]21	ZINC000583749731	430424982	/nfs/dbraw/zinc/42/49/82/430424982.db2.gz	JBYCCRCVIXEATC-ABAIWWIYSA-N	0	3	312.804	2.900	20	30		DFEDHN
C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccccc1Cl	ZINC000569197237	430432176	/nfs/dbraw/zinc/43/21/76/430432176.db2.gz	PTDPQNLYRBULBF-WQVCFCJDSA-N	0	3	322.836	2.840	20	30		DFEDHN
CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C2CC2)C1	ZINC000548612261	430485235	/nfs/dbraw/zinc/48/52/35/430485235.db2.gz	HSDRMKAJFSFQSE-AWEZNQCLSA-N	0	3	303.793	2.520	20	30		DFEDHN
C=CCc1ccc(OC[C@@H](O)CN2C3CCC2CC3)c(OC)c1	ZINC000642525648	430517838	/nfs/dbraw/zinc/51/78/38/430517838.db2.gz	YWMIQZDTYWPRHR-JCYILVPMSA-N	0	3	317.429	2.790	20	30		DFEDHN
CCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)CC1(C#N)CC1	ZINC000599256253	430528730	/nfs/dbraw/zinc/52/87/30/430528730.db2.gz	YAZMPBSKPMNKOS-OAHLLOKOSA-N	0	3	318.417	2.580	20	30		DFEDHN
N#CC1(C[C@@H](O)CN(Cc2cccs2)C2CC2)CCOCC1	ZINC000599258003	430529709	/nfs/dbraw/zinc/52/97/09/430529709.db2.gz	BZJMZBUOAIZITL-OAHLLOKOSA-N	0	3	320.458	2.784	20	30		DFEDHN
Cc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1C#N	ZINC000599313564	430530016	/nfs/dbraw/zinc/53/00/16/430530016.db2.gz	DMAZLKRRGICGMJ-SFHVURJKSA-N	0	3	300.402	2.637	20	30		DFEDHN
CN(Cc1ccc(Br)cc1)C[C@H](O)CC1(C#N)CC1	ZINC000599257960	430530203	/nfs/dbraw/zinc/53/02/03/430530203.db2.gz	RSGFQARBYUYKSN-CQSZACIVSA-N	0	3	323.234	2.936	20	30		DFEDHN
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000278488968	277807206	/nfs/dbraw/zinc/80/72/06/277807206.db2.gz	SZWJDVJTYNAFSP-FGTMMUONSA-N	0	3	316.445	2.695	20	30		DFEDHN
C=CC[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1	ZINC000636455926	430548039	/nfs/dbraw/zinc/54/80/39/430548039.db2.gz	MHSHGLDOTDCVQZ-DOTOQJQBSA-N	0	3	301.434	2.897	20	30		DFEDHN
Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C#N	ZINC000570859750	430583208	/nfs/dbraw/zinc/58/32/08/430583208.db2.gz	GGCASYORZWPDFO-GXFFZTMASA-N	0	3	306.435	2.778	20	30		DFEDHN
C=C(C)[C@H](CO)N1CCC(N2c3ccccc3C[C@@H]2C)CC1	ZINC000643383724	430596200	/nfs/dbraw/zinc/59/62/00/430596200.db2.gz	YDRQYNQFSTXJPV-KXBFYZLASA-N	0	3	300.446	2.839	20	30		DFEDHN
C[C@H](CCC#N)CNc1cc(N(C)C)c(Br)cn1	ZINC000602683244	430543372	/nfs/dbraw/zinc/54/33/72/430543372.db2.gz	UKMUKMGZRUDSTF-SNVBAGLBSA-N	0	3	311.227	3.262	20	30		DFEDHN
CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1F	ZINC000550859042	430546597	/nfs/dbraw/zinc/54/65/97/430546597.db2.gz	PCOACSKYKLXESU-UHFFFAOYSA-N	0	3	323.375	2.807	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)C[C@H](N)Cc1ccccc1	ZINC000644018175	430650916	/nfs/dbraw/zinc/65/09/16/430650916.db2.gz	COCVRZZOZQGDSX-CYBMUJFWSA-N	0	3	300.324	2.523	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)C[C@@H](N)Cc1ccccc1	ZINC000644018176	430651047	/nfs/dbraw/zinc/65/10/47/430651047.db2.gz	COCVRZZOZQGDSX-ZDUSSCGKSA-N	0	3	300.324	2.523	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@H]1CNCCC1(F)F	ZINC000644045621	430653260	/nfs/dbraw/zinc/65/32/60/430653260.db2.gz	OBAVIOJSGSDGNN-GFCCVEGCSA-N	0	3	300.374	2.508	20	30		DFEDHN
CCc1ccc2nc(NC(=O)[C@H](N)CCCC#N)sc2c1	ZINC000571555126	430636804	/nfs/dbraw/zinc/63/68/04/430636804.db2.gz	SKTHNDLABZZEBE-LLVKDONJSA-N	0	3	302.403	2.818	20	30		DFEDHN
N#Cc1cc(C(=O)N(CCN2CCCC2)c2ccccc2)c[nH]1	ZINC000554530549	430641624	/nfs/dbraw/zinc/64/16/24/430641624.db2.gz	WWCXPUXNDRCBAI-UHFFFAOYSA-N	0	3	308.385	2.629	20	30		DFEDHN
C=CCCCCN1CCC(NS(=O)(=O)c2ccccc2)CC1	ZINC000571970985	430664894	/nfs/dbraw/zinc/66/48/94/430664894.db2.gz	JOMBBGSDFMXIDB-UHFFFAOYSA-N	0	3	322.474	2.786	20	30		DFEDHN
Cc1cc(C)nc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1	ZINC000555952892	430677194	/nfs/dbraw/zinc/67/71/94/430677194.db2.gz	QQDXGDJKKXITON-UHFFFAOYSA-N	0	3	309.417	2.533	20	30		DFEDHN
N#CCCCNC[C@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000572236867	430677905	/nfs/dbraw/zinc/67/79/05/430677905.db2.gz	CMUYVEJAPPLPDS-SFHVURJKSA-N	0	3	310.397	2.987	20	30		DFEDHN
C=CCOc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC000572325109	430681405	/nfs/dbraw/zinc/68/14/05/430681405.db2.gz	VDRTVXWBSLFWMC-QGZVFWFLSA-N	0	3	314.429	2.696	20	30		DFEDHN
Cc1cccc(OCCN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000573080326	430699562	/nfs/dbraw/zinc/69/95/62/430699562.db2.gz	SVMLQBCHYOMGGE-SFHVURJKSA-N	0	3	323.396	2.794	20	30		DFEDHN
C=CCc1cc(CN[C@H]2C[C@@H](O)C23CCC3)cc(OC)c1O	ZINC000657706717	430713720	/nfs/dbraw/zinc/71/37/20/430713720.db2.gz	QHKRDLYJHDGYHN-JKSUJKDBSA-N	0	3	303.402	2.522	20	30		DFEDHN
C=C(CC)CNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000651143695	430718774	/nfs/dbraw/zinc/71/87/74/430718774.db2.gz	HQRANANNWPVVMH-SFHVURJKSA-N	0	3	301.434	2.916	20	30		DFEDHN
C=CCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000661565452	430760586	/nfs/dbraw/zinc/76/05/86/430760586.db2.gz	NLJUSWPMOSPOTE-MRXNPFEDSA-N	0	3	301.434	2.726	20	30		DFEDHN
C=C(CC)CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1	ZINC000665062673	430812143	/nfs/dbraw/zinc/81/21/43/430812143.db2.gz	GSFLCVXEKIWTLL-GOSISDBHSA-N	0	3	315.461	2.911	20	30		DFEDHN
C=CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C	ZINC000661760716	430834866	/nfs/dbraw/zinc/83/48/66/430834866.db2.gz	XTCKORDBJZREEK-KRWDZBQOSA-N	0	3	317.477	2.692	20	30		DFEDHN
COCC#CCN[C@H](c1ccccc1)C1(CO)CCCCC1	ZINC000665207088	430854388	/nfs/dbraw/zinc/85/43/88/430854388.db2.gz	NXSVQAPFUUYTDS-GOSISDBHSA-N	0	3	301.430	2.910	20	30		DFEDHN
C=CC[C@@H]1CC[C@H](NCC(=O)Nc2cc(OC)cc(OC)c2)C1	ZINC000651834212	430891900	/nfs/dbraw/zinc/89/19/00/430891900.db2.gz	JJZOWEJPKFPWQR-KGLIPLIRSA-N	0	3	318.417	2.977	20	30		DFEDHN
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1	ZINC000665391536	430918998	/nfs/dbraw/zinc/91/89/98/430918998.db2.gz	CLJURWMPAMLZEY-BRWVUGGUSA-N	0	3	303.450	2.777	20	30		DFEDHN
C=CC1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1	ZINC000659034984	430945751	/nfs/dbraw/zinc/94/57/51/430945751.db2.gz	SKEQTSBIXOVFAZ-KRWDZBQOSA-N	0	3	315.417	2.777	20	30		DFEDHN
C=CCN(Cc1ccc(OC)cc1)C(=O)C1(N)CC2(CCC2)C1	ZINC000659261965	431002134	/nfs/dbraw/zinc/00/21/34/431002134.db2.gz	CDAYCGKESUISBJ-UHFFFAOYSA-N	0	3	314.429	2.871	20	30		DFEDHN
CC(C)c1csc(C(C#N)C(=O)c2cnc3n2CCC3)n1	ZINC000659114218	430951065	/nfs/dbraw/zinc/95/10/65/430951065.db2.gz	MAZSYBCQKOIGSL-SNVBAGLBSA-N	0	3	300.387	2.899	20	30		DFEDHN
C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCO[C@H]1CCCC[C@H]1C	ZINC000662083633	430952500	/nfs/dbraw/zinc/95/25/00/430952500.db2.gz	IDANDEUOFTYIGF-BDXSIMOUSA-N	0	3	320.477	2.881	20	30		DFEDHN
C=C(C)[C@H](CO)N(C)CCOc1ccc(Br)cc1	ZINC000649241777	431039786	/nfs/dbraw/zinc/03/97/86/431039786.db2.gz	SESUDEPBERTXQQ-AWEZNQCLSA-N	0	3	314.223	2.697	20	30		DFEDHN
C=CC[C@H](CO)NCc1cn(-c2ccccc2Cl)nc1C	ZINC000655760495	431121862	/nfs/dbraw/zinc/12/18/62/431121862.db2.gz	RIADLLXAFVBQBQ-CQSZACIVSA-N	0	3	305.809	2.861	20	30		DFEDHN
C=CCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1	ZINC000665947696	431072541	/nfs/dbraw/zinc/07/25/41/431072541.db2.gz	WDFUCVFCCAEEBH-UHFFFAOYSA-N	0	3	311.376	2.614	20	30		DFEDHN
C=CCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC	ZINC000665945050	431073352	/nfs/dbraw/zinc/07/33/52/431073352.db2.gz	BKXWOYUHLJBXLR-KRWDZBQOSA-N	0	3	316.449	2.654	20	30		DFEDHN
C=CCN(CC(F)(F)F)C(=O)c1cc2c(s1)CCNC2	ZINC000662529810	431106755	/nfs/dbraw/zinc/10/67/55/431106755.db2.gz	HDUMPZLSISPPES-UHFFFAOYSA-N	0	3	304.337	2.584	20	30		DFEDHN
CCN(CCN1CCO[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000249038271	279189104	/nfs/dbraw/zinc/18/91/04/279189104.db2.gz	MPPPWVFXKYAMIY-HZPDHXFCSA-N	0	3	301.434	2.662	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)CCN2CCCCC2)cc1	ZINC000652992334	431218233	/nfs/dbraw/zinc/21/82/33/431218233.db2.gz	LGKSMIBLZUYGBA-UHFFFAOYSA-N	0	3	316.445	2.738	20	30		DFEDHN
N#Cc1cc(F)c(C(=O)N2CCC[C@H](N3CCCC3)C2)c(F)c1	ZINC000152887106	279503361	/nfs/dbraw/zinc/50/33/61/279503361.db2.gz	ZZUVKTJXANABMV-ZDUSSCGKSA-N	0	3	319.355	2.537	20	30		DFEDHN
C=C[C@@H](CC(=O)N(C)[C@H](CN)C(F)(F)F)c1ccccc1	ZINC000662986299	431250186	/nfs/dbraw/zinc/25/01/86/431250186.db2.gz	LBEBLHTYQWBZMP-WCQYABFASA-N	0	3	300.324	2.694	20	30		DFEDHN
C=CCOCCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1	ZINC000649779186	431290485	/nfs/dbraw/zinc/29/04/85/431290485.db2.gz	JYYKOSIKZUZVNC-HIFRSBDPSA-N	0	3	305.422	2.650	20	30		DFEDHN
C=CCCn1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)nn1	ZINC000653669380	431482294	/nfs/dbraw/zinc/48/22/94/431482294.db2.gz	SPROCPMDTLXVKE-KURKYZTESA-N	0	3	318.465	2.760	20	30		DFEDHN
C=CC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000660681663	431549055	/nfs/dbraw/zinc/54/90/55/431549055.db2.gz	SYIKLGVIQFYKBR-OAHLLOKOSA-N	0	3	316.449	2.557	20	30		DFEDHN
C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC)CC1	ZINC000660836605	431620509	/nfs/dbraw/zinc/62/05/09/431620509.db2.gz	CHUUDCITJFFKPO-DOTOQJQBSA-N	0	3	323.481	2.531	20	30		DFEDHN
C=CCCn1cc(CNCCCc2ccc(OC)cc2)nn1	ZINC000657323352	431677678	/nfs/dbraw/zinc/67/76/78/431677678.db2.gz	CJPJJFSQAPAOGS-UHFFFAOYSA-N	0	3	300.406	2.585	20	30		DFEDHN
C=CCCn1cc(CN[C@@H](C)Cc2cccc(OC)c2)nn1	ZINC000657357889	431700499	/nfs/dbraw/zinc/70/04/99/431700499.db2.gz	DSVZTZWQHYZBGJ-AWEZNQCLSA-N	0	3	300.406	2.584	20	30		DFEDHN
C=CCC1(NC(=O)NC[C@]2(N(C)C)CCSC2)CCCC1	ZINC000664311569	431731255	/nfs/dbraw/zinc/73/12/55/431731255.db2.gz	RPLFXEPNUWRROI-MRXNPFEDSA-N	0	3	311.495	2.612	20	30		DFEDHN
C=CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1	ZINC000661101298	431732681	/nfs/dbraw/zinc/73/26/81/431732681.db2.gz	RECRVFVVVCWWBG-UHFFFAOYSA-N	0	3	319.371	2.667	20	30		DFEDHN
C=CCCn1cc(CNCC(C)(C)c2cccc(OC)c2)nn1	ZINC000657414634	431735356	/nfs/dbraw/zinc/73/53/56/431735356.db2.gz	RHAWFKJPHQBAMD-UHFFFAOYSA-N	0	3	314.433	2.930	20	30		DFEDHN
C=CCCn1cc(CNC[C@H](C)Cc2ccc(OC)cc2)nn1	ZINC000657419960	431737220	/nfs/dbraw/zinc/73/72/20/431737220.db2.gz	SCQBLQMRSOAGSS-OAHLLOKOSA-N	0	3	314.433	2.831	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)OC[C@H]2CC)CC1	ZINC000650851716	431721842	/nfs/dbraw/zinc/72/18/42/431721842.db2.gz	BHGYBMMVJIBKMQ-SJORKVTESA-N	0	3	323.481	2.626	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@H]2CCCCO2)CC1	ZINC000654431325	431788328	/nfs/dbraw/zinc/78/83/28/431788328.db2.gz	FXESOSISEKZYHP-DLBZAZTESA-N	0	3	323.481	2.674	20	30		DFEDHN
C=CCN(Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)COC	ZINC000661241179	431790315	/nfs/dbraw/zinc/79/03/15/431790315.db2.gz	XRFZOMODAQGDJI-KRWDZBQOSA-N	0	3	318.461	2.542	20	30		DFEDHN
C=CCN(C[C@@H](O)COc1cc(C)cc(C)c1)[C@H](C)COC	ZINC000661247682	431796213	/nfs/dbraw/zinc/79/62/13/431796213.db2.gz	QGWAQNDCWAWIFT-IAGOWNOFSA-N	0	3	307.434	2.566	20	30		DFEDHN
CCC(C)(C)N1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000654362108	431766243	/nfs/dbraw/zinc/76/62/43/431766243.db2.gz	HEGHUKBBWBLMAN-UHFFFAOYSA-N	0	3	313.445	2.554	20	30		DFEDHN
CO[C@@H]1CCC[C@@H]([C@H](CO)NCC#Cc2ccc(Cl)cc2)C1	ZINC000661222759	431783514	/nfs/dbraw/zinc/78/35/14/431783514.db2.gz	WNQRWYZCSGAHKN-NXHRZFHOSA-N	0	3	321.848	2.847	20	30		DFEDHN
C=CC[C@@H]1CCCN(CC(=O)NCCc2ccccc2OC)C1	ZINC000661378400	431836750	/nfs/dbraw/zinc/83/67/50/431836750.db2.gz	FOAFOXYWUCUXJX-MRXNPFEDSA-N	0	3	316.445	2.642	20	30		DFEDHN
C=CC[C@H]1CCCN(CC(=O)NCc2cccc(COC)c2)C1	ZINC000661380767	431838600	/nfs/dbraw/zinc/83/86/00/431838600.db2.gz	PIIJXRMKVOXRNC-INIZCTEOSA-N	0	3	316.445	2.737	20	30		DFEDHN
CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C#N)ccc1Cl	ZINC000286132411	281190594	/nfs/dbraw/zinc/19/05/94/281190594.db2.gz	OBUBIJDPLAPWAM-UONOGXRCSA-N	0	3	317.820	2.910	20	30		DFEDHN
Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000280815861	294027667	/nfs/dbraw/zinc/02/76/67/294027667.db2.gz	UIIOJSJNIZJDCW-KRWDZBQOSA-N	0	3	311.385	2.801	20	30		DFEDHN
Cc1ccc2ncc(CNCCOc3ccc(C#N)cc3)n2c1	ZINC000157159932	295345295	/nfs/dbraw/zinc/34/52/95/295345295.db2.gz	GEPHFOSZKAFTLD-UHFFFAOYSA-N	0	3	306.369	2.683	20	30		DFEDHN
CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C#N)c(Cl)c1	ZINC000157884545	295355046	/nfs/dbraw/zinc/35/50/46/295355046.db2.gz	QFDVHVNCECANDG-AWEZNQCLSA-N	0	3	305.809	2.768	20	30		DFEDHN
Cn1cc(CNCCOC(C)(C)C)c(-c2ccc(C#N)cc2)n1	ZINC000537593717	301304901	/nfs/dbraw/zinc/30/49/01/301304901.db2.gz	GJWGUNLNTUOFEN-UHFFFAOYSA-N	0	3	312.417	2.863	20	30		DFEDHN
C[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)c(F)c1	ZINC000540704854	301367669	/nfs/dbraw/zinc/36/76/69/301367669.db2.gz	CZEYMMWROCOAMQ-ZDUSSCGKSA-N	0	3	310.372	2.878	20	30		DFEDHN
CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)c(C#N)c1	ZINC000541583575	301390365	/nfs/dbraw/zinc/39/03/65/301390365.db2.gz	XEMDFBRWZMRXLI-GJZGRUSLSA-N	0	3	317.820	2.910	20	30		DFEDHN
C[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C#N)cc1F	ZINC000541904808	301403712	/nfs/dbraw/zinc/40/37/12/301403712.db2.gz	PATHWMSCPSKBLP-OCCSQVGLSA-N	0	3	302.349	2.792	20	30		DFEDHN
N#Cc1cccc(CN[C@@H](CC(N)=O)C2CCCCC2)c1F	ZINC000542560730	301416177	/nfs/dbraw/zinc/41/61/77/301416177.db2.gz	JHXONWDWPJPOFF-HNNXBMFYSA-N	0	3	303.381	2.611	20	30		DFEDHN
N#Cc1cccc(CN[C@H](CC(N)=O)C2CCCCC2)c1F	ZINC000542560733	301416287	/nfs/dbraw/zinc/41/62/87/301416287.db2.gz	JHXONWDWPJPOFF-OAHLLOKOSA-N	0	3	303.381	2.611	20	30		DFEDHN
Cc1ccc(C[C@@H](C)N(C)Cc2cnc3c(C#N)cnn3c2)cc1	ZINC000563153573	302041906	/nfs/dbraw/zinc/04/19/06/302041906.db2.gz	BJTZPSUUNLFZCA-OAHLLOKOSA-N	0	3	319.412	2.972	20	30		DFEDHN
C[C@@]12CN(CC(=O)Nc3ccc(C#N)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1	ZINC000563864889	302104138	/nfs/dbraw/zinc/10/41/38/302104138.db2.gz	VDVXLCOYCFZKBD-GFIVTLFCSA-N	0	3	307.397	2.641	20	30		DFEDHN
N#Cc1cnn2c1NC[C@@H](CN1CCC[C@@H]1c1ccsc1)C2	ZINC000564989465	302179932	/nfs/dbraw/zinc/17/99/32/302179932.db2.gz	MGTIHVHEABBTFI-SWLSCSKDSA-N	0	3	313.430	2.695	20	30		DFEDHN
N#Cc1ccc([C@@H](NC[C@@H]2C[C@H]2C2CCCCC2)C(N)=O)cc1	ZINC000565412372	302223904	/nfs/dbraw/zinc/22/39/04/302223904.db2.gz	JQPDWHKUPROUEC-OKZBNKHCSA-N	0	3	311.429	2.891	20	30		DFEDHN
COc1cc(C#N)ccc1NC(=O)N1CCCN(C(C)C)CC1	ZINC000566595239	302297414	/nfs/dbraw/zinc/29/74/14/302297414.db2.gz	SHWBPYPEMGYEIH-UHFFFAOYSA-N	0	3	316.405	2.515	20	30		DFEDHN
CC1(C)CCCN1CCNC(=O)c1ccc(Cl)c(C#N)c1	ZINC000566605425	302298383	/nfs/dbraw/zinc/29/83/83/302298383.db2.gz	ZTPGPHODJFHABG-UHFFFAOYSA-N	0	3	305.809	2.816	20	30		DFEDHN
CCC[C@@H](C)[C@@H](CO)NCC(=O)Nc1sc(C)c(C)c1C#N	ZINC000566799913	302312760	/nfs/dbraw/zinc/31/27/60/302312760.db2.gz	MKEORJAOJQRBST-QMTHXVAHSA-N	0	3	323.462	2.562	20	30		DFEDHN
N#Cc1cnn2cc(CN3CCC[C@]4(CC=CCC4)C3)cnc12	ZINC000567589317	302370775	/nfs/dbraw/zinc/37/07/75/302370775.db2.gz	ACMPDGSBDPRDDE-GOSISDBHSA-N	0	3	307.401	2.923	20	30		DFEDHN
CC(C)c1nnc2n1C[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CC2	ZINC000567654153	302376674	/nfs/dbraw/zinc/37/66/74/302376674.db2.gz	WLWWZVNRNBUPIE-RDJZCZTQSA-N	0	3	321.428	2.865	20	30		DFEDHN
CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C12CCC2	ZINC000570048488	302553592	/nfs/dbraw/zinc/55/35/92/302553592.db2.gz	WYSPKKJIUGKRHS-CVEARBPZSA-N	0	3	315.373	2.904	20	30		DFEDHN
CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1	ZINC000182317142	316096265	/nfs/dbraw/zinc/09/62/65/316096265.db2.gz	HPPPYUNUVFVEAM-LSDHHAIUSA-N	0	3	321.808	2.697	20	30		DFEDHN
C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000320114645	316252819	/nfs/dbraw/zinc/25/28/19/316252819.db2.gz	QQYQHGBYHKFQHQ-ZBFHGGJFSA-N	0	3	320.458	2.890	20	30		DFEDHN
C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1CCCCCC1	ZINC000565554016	317925319	/nfs/dbraw/zinc/92/53/19/317925319.db2.gz	RDYGPABWVMRQSG-LBPRGKRZSA-N	0	3	321.371	2.717	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)c1ccnc(C#N)n1	ZINC000568782417	317963005	/nfs/dbraw/zinc/96/30/05/317963005.db2.gz	PQGFCCUSGFDYRW-UHFFFAOYSA-N	0	3	315.808	2.570	20	30		DFEDHN
Cc1csc(NC(=O)NCCN2CCC(C)CC2)c1C#N	ZINC000574867966	318045839	/nfs/dbraw/zinc/04/58/39/318045839.db2.gz	KFNNKQKSXMOAIY-UHFFFAOYSA-N	0	3	306.435	2.782	20	30		DFEDHN
CCS[C@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC000575869271	318088672	/nfs/dbraw/zinc/08/86/72/318088672.db2.gz	CFXQGCYTEJXYKN-HNNXBMFYSA-N	0	3	315.446	2.709	20	30		DFEDHN
C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000577117075	318172301	/nfs/dbraw/zinc/17/23/01/318172301.db2.gz	JAAYMNZYDJNPJP-XJKSGUPXSA-N	0	3	314.389	2.525	20	30		DFEDHN
CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1	ZINC000577706771	318211201	/nfs/dbraw/zinc/21/12/01/318211201.db2.gz	SCBGNXXUGNWNHP-BVPBIZIASA-N	0	3	311.429	2.507	20	30		DFEDHN
CC[C@H]1CN(C)CCN1Cc1ccc(Br)cc1C#N	ZINC000578998832	318300716	/nfs/dbraw/zinc/30/07/16/318300716.db2.gz	IADBRUXELUYSLR-HNNXBMFYSA-N	0	3	322.250	2.847	20	30		DFEDHN
CCC1(NCCS(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000382556343	323300281	/nfs/dbraw/zinc/30/02/81/323300281.db2.gz	JSYGFQGTIBXETG-UHFFFAOYSA-N	0	3	306.431	2.644	20	30		DFEDHN
Cc1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c(C)c1	ZINC000390308283	323341799	/nfs/dbraw/zinc/34/17/99/323341799.db2.gz	MUOJZJOULQUDHU-SFHVURJKSA-N	0	3	310.397	2.705	20	30		DFEDHN
CN(C)C1(CNc2cc(Br)c(C#N)cc2F)CC1	ZINC000397786677	323356761	/nfs/dbraw/zinc/35/67/61/323356761.db2.gz	QQWYLGYGYSLPDG-UHFFFAOYSA-N	0	3	312.186	2.966	20	30		DFEDHN
Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(C#N)cn1	ZINC000399587547	323359686	/nfs/dbraw/zinc/35/96/86/323359686.db2.gz	PJEUVVDJTRAQKD-AUUYWEPGSA-N	0	3	306.413	2.616	20	30		DFEDHN
N#Cc1cccc(C2(NC(=O)Nc3ccc4c(c3)CNC4)CC2)c1	ZINC000581596420	323546679	/nfs/dbraw/zinc/54/66/79/323546679.db2.gz	YPBKPFNRNLPVTG-UHFFFAOYSA-N	0	3	318.380	2.972	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)Cc1cncs1)C(C)C	ZINC000187933440	331536334	/nfs/dbraw/zinc/53/63/34/331536334.db2.gz	SYXLSODHHLWVSQ-OAHLLOKOSA-N	0	3	307.463	2.500	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)CC1	ZINC000363373269	331635568	/nfs/dbraw/zinc/63/55/68/331635568.db2.gz	JWPJFCRRSLEADW-SIXLDLHFSA-N	0	3	302.462	2.519	20	30		DFEDHN
N#CC1(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1	ZINC000557038963	331765031	/nfs/dbraw/zinc/76/50/31/331765031.db2.gz	SZWUAHLWMLCTSK-UHFFFAOYSA-N	0	3	312.295	2.589	20	30		DFEDHN
N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccccc2F)C1	ZINC000558634008	331930637	/nfs/dbraw/zinc/93/06/37/331930637.db2.gz	DSQBZYXHKOWIIB-CABCVRRESA-N	0	3	300.381	2.685	20	30		DFEDHN
COc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccn1	ZINC000078890475	331965470	/nfs/dbraw/zinc/96/54/70/331965470.db2.gz	UHKHDDYSHSMTIW-UHFFFAOYSA-N	0	3	310.401	2.730	20	30		DFEDHN
COc1cc(NC2CCN(CCCC#N)CC2)cc(OC)c1	ZINC000085869021	332016618	/nfs/dbraw/zinc/01/66/18/332016618.db2.gz	AVCDMEYHNZSODA-UHFFFAOYSA-N	0	3	303.406	2.884	20	30		DFEDHN
CN(C)CCN(Cc1ccco1)C(=O)c1cccc(CC#N)c1	ZINC000088250906	332048115	/nfs/dbraw/zinc/04/81/15/332048115.db2.gz	RKOVEAGEYSYUBK-UHFFFAOYSA-N	0	3	311.385	2.550	20	30		DFEDHN
C[C@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000410544594	332150289	/nfs/dbraw/zinc/15/02/89/332150289.db2.gz	IXERVSWYAZYVPH-YEWFCNIMSA-N	0	3	311.429	2.563	20	30		DFEDHN
C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC(C)(C)C)NC)cc1	ZINC000387509952	332269462	/nfs/dbraw/zinc/26/94/62/332269462.db2.gz	FHZCYULZBUGIIV-OAHLLOKOSA-N	0	3	317.433	2.565	20	30		DFEDHN
CN(C)Cc1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1	ZINC000110210887	332290772	/nfs/dbraw/zinc/29/07/72/332290772.db2.gz	RNCLGCZYVITNKT-UHFFFAOYSA-N	0	3	323.396	2.832	20	30		DFEDHN
CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1	ZINC000112528223	332314099	/nfs/dbraw/zinc/31/40/99/332314099.db2.gz	FRMONRHASFOLHM-CABCVRRESA-N	0	3	317.433	2.885	20	30		DFEDHN
C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1	ZINC000560415179	332337700	/nfs/dbraw/zinc/33/77/00/332337700.db2.gz	QDNLZDCTGQQCEW-QRQLOZEOSA-N	0	3	316.445	2.513	20	30		DFEDHN
CN(CCC(C)(C)C#N)Cc1ccc(N2CCOCC2)cc1	ZINC000119864215	332379280	/nfs/dbraw/zinc/37/92/80/332379280.db2.gz	MXSUTTSPGROUIH-UHFFFAOYSA-N	0	3	301.434	2.895	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C)[C@@H]2C)c(OC)c1	ZINC000293368929	335107692	/nfs/dbraw/zinc/10/76/92/335107692.db2.gz	IZKOOWJAXHWBNX-IJEWVQPXSA-N	0	3	305.418	2.504	20	30		DFEDHN
CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000133916663	332594935	/nfs/dbraw/zinc/59/49/35/332594935.db2.gz	IFTDGUMZYXPTGZ-CGTJXYLNSA-N	0	3	313.445	2.920	20	30		DFEDHN
Cc1ccccc1CN1CCC(NC(=O)C2(C#N)CCC2)CC1	ZINC000134626771	332606949	/nfs/dbraw/zinc/60/69/49/332606949.db2.gz	GLLGIPGTIATRFX-UHFFFAOYSA-N	0	3	311.429	2.770	20	30		DFEDHN
CN(C)CCOc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl	ZINC000135332947	332618766	/nfs/dbraw/zinc/61/87/66/332618766.db2.gz	AHUIUPLRKCWMKL-UHFFFAOYSA-N	0	3	321.808	2.913	20	30		DFEDHN
CC(C)N(CCN(C)C)C(=O)c1cccc(SCC#N)c1	ZINC000151818252	332620552	/nfs/dbraw/zinc/62/05/52/332620552.db2.gz	NMPWJIFMQLHZNC-UHFFFAOYSA-N	0	3	305.447	2.714	20	30		DFEDHN
C#CCNC(=O)CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1	ZINC000293623397	335113818	/nfs/dbraw/zinc/11/38/18/335113818.db2.gz	WHOXPAWZYZPILR-GFCCVEGCSA-N	0	3	312.335	2.838	20	30		DFEDHN
C#CCN(C)CCCNC(=O)c1c(C)nc2ccccc2c1C	ZINC000293947412	335116122	/nfs/dbraw/zinc/11/61/22/335116122.db2.gz	JTRBHGAMIXPHHL-UHFFFAOYSA-N	0	3	309.413	2.537	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CCCO[C@H]2CC(C)C)CC1	ZINC000188040983	333017811	/nfs/dbraw/zinc/01/78/11/333017811.db2.gz	FHODKEVGDFGFDG-IRXDYDNUSA-N	0	3	323.481	2.530	20	30		DFEDHN
CCCN1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000171922625	333056012	/nfs/dbraw/zinc/05/60/12/333056012.db2.gz	YJYNMPZEUDHBOA-UHFFFAOYSA-N	0	3	300.450	2.564	20	30		DFEDHN
Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1OCCN(C)C	ZINC000563026346	333073397	/nfs/dbraw/zinc/07/33/97/333073397.db2.gz	LPCSNHRUHXKWJC-UHFFFAOYSA-N	0	3	315.417	2.814	20	30		DFEDHN
C=CCC(F)(F)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1	ZINC000294100223	335119813	/nfs/dbraw/zinc/11/98/13/335119813.db2.gz	RZXVULNFICELLS-CYBMUJFWSA-N	0	3	300.324	2.756	20	30		DFEDHN
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCC(C)(C)C#N	ZINC000174842937	333091484	/nfs/dbraw/zinc/09/14/84/333091484.db2.gz	TVTWMOUHFSENEI-CYBMUJFWSA-N	0	3	323.462	2.657	20	30		DFEDHN
CC#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1	ZINC000185232455	335120985	/nfs/dbraw/zinc/12/09/85/335120985.db2.gz	LWMRJAVBIGYISX-UHFFFAOYSA-N	0	3	304.409	2.910	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N[C@H](C)CN2CCCCC2)cc1	ZINC000294386211	335121708	/nfs/dbraw/zinc/12/17/08/335121708.db2.gz	HPXLYNNYOONBLM-MRXNPFEDSA-N	0	3	316.445	2.785	20	30		DFEDHN
CC(C)(CCc1ccccc1)NCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000177187494	333125695	/nfs/dbraw/zinc/12/56/95/333125695.db2.gz	ARKRPIQFJBTEME-IBGZPJMESA-N	0	3	313.445	2.796	20	30		DFEDHN
COc1cccc(/C=N/C2CCN(CCOC(C)C)CC2)c1O	ZINC000178298476	333136984	/nfs/dbraw/zinc/13/69/84/333136984.db2.gz	GBSJULBLVRYOHZ-CPNJWEJPSA-N	0	3	320.433	2.709	20	30		DFEDHN
COc1ccc(O)c(/C=N/C2CCN(CCOC(C)C)CC2)c1	ZINC000178298497	333137005	/nfs/dbraw/zinc/13/70/05/333137005.db2.gz	FWCHOSNWPRJJMZ-CPNJWEJPSA-N	0	3	320.433	2.709	20	30		DFEDHN
COc1ncccc1NC(=O)C(C#N)c1nc(C(C)C)cs1	ZINC000179475821	333151030	/nfs/dbraw/zinc/15/10/30/333151030.db2.gz	XVCXEKLEMDHROQ-JTQLQIEISA-N	0	3	316.386	2.916	20	30		DFEDHN
N#CC1(c2ccc(C(=O)NCCN3CCCCCC3)cc2)CC1	ZINC000179852227	333155696	/nfs/dbraw/zinc/15/56/96/333155696.db2.gz	RFFVXMNMZWJRGR-UHFFFAOYSA-N	0	3	311.429	2.848	20	30		DFEDHN
CCC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1	ZINC000180866043	333165544	/nfs/dbraw/zinc/16/55/44/333165544.db2.gz	SYFSPQFFHHOCOR-BQASMSSTSA-N	0	3	313.401	2.644	20	30		DFEDHN
CN(CCC#N)C(=O)CCNC(C)(C)c1ccc(F)c(F)c1	ZINC000180878027	333165609	/nfs/dbraw/zinc/16/56/09/333165609.db2.gz	IYSNDEDRUTWSCR-UHFFFAOYSA-N	0	3	309.360	2.552	20	30		DFEDHN
CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(C)cc1	ZINC000180878614	333165741	/nfs/dbraw/zinc/16/57/41/333165741.db2.gz	JNXDRGLRMLHPQR-DVEDPGPFSA-N	0	3	313.401	2.562	20	30		DFEDHN
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000181079943	333167365	/nfs/dbraw/zinc/16/73/65/333167365.db2.gz	PUNVSWFYRJYRAO-YOEHRIQHSA-N	0	3	311.429	2.654	20	30		DFEDHN
CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)C1	ZINC000182110155	333175958	/nfs/dbraw/zinc/17/59/58/333175958.db2.gz	SJCXTMLJMVUZTG-SJLPKXTDSA-N	0	3	323.440	2.798	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](N2CCCCC2)C1	ZINC000108376425	333176682	/nfs/dbraw/zinc/17/66/82/333176682.db2.gz	PQJOAQJIFCVDJE-MSOLQXFVSA-N	0	3	319.493	2.526	20	30		DFEDHN
C#CCN(CC#CC)C(=O)N[C@@H](CN)c1ccc2ccccc2c1	ZINC000491736004	333182809	/nfs/dbraw/zinc/18/28/09/333182809.db2.gz	URSXKQHRTORLHJ-IBGZPJMESA-N	0	3	319.408	2.508	20	30		DFEDHN
N#CCC1CCN(CCOCC(F)(F)C(F)(F)F)CC1	ZINC000526058027	333186410	/nfs/dbraw/zinc/18/64/10/333186410.db2.gz	HNKOZCUYECWYJV-UHFFFAOYSA-N	0	3	300.271	2.826	20	30		DFEDHN
C#CCNC(=O)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C	ZINC000294753146	335127264	/nfs/dbraw/zinc/12/72/64/335127264.db2.gz	XUTJAENHYKQTEP-SRCQZFHVSA-N	0	3	304.821	2.766	20	30		DFEDHN
CCN(CCNC(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1	ZINC000184332088	333195459	/nfs/dbraw/zinc/19/54/59/333195459.db2.gz	GKIPVDYRDUASIB-ZDUSSCGKSA-N	0	3	316.405	2.583	20	30		DFEDHN
CC1CC(C#N)(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000309796947	333197516	/nfs/dbraw/zinc/19/75/16/333197516.db2.gz	QPEUJDGABQDXIK-RMXPPQQLSA-N	0	3	311.429	2.659	20	30		DFEDHN
CSCC[C@H](NCCCCC#N)c1nnc2ccccn21	ZINC000184606720	333198799	/nfs/dbraw/zinc/19/87/99/333198799.db2.gz	MYKVJMAVYCYUIK-ZDUSSCGKSA-N	0	3	303.435	2.807	20	30		DFEDHN
CC(C)(CCC#N)C[NH2+]Cc1nnc(COc2ccccc2)[n-]1	ZINC000185762243	333213872	/nfs/dbraw/zinc/21/38/72/333213872.db2.gz	FGDZGQXTKKFLLJ-UHFFFAOYSA-N	0	3	313.405	2.803	20	30		DFEDHN
N#C[C@H]1CCC[C@@H](NCCCS(=O)(=O)Cc2ccccc2)C1	ZINC000185782692	333213947	/nfs/dbraw/zinc/21/39/47/333213947.db2.gz	BSZNJZNOCDYIGL-DLBZAZTESA-N	0	3	320.458	2.663	20	30		DFEDHN
C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000497270343	333229541	/nfs/dbraw/zinc/22/95/41/333229541.db2.gz	UFHXRPCROAHXJM-ILXRZTDVSA-N	0	3	320.437	2.808	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000364063364	333230865	/nfs/dbraw/zinc/23/08/65/333230865.db2.gz	HOIZXZLOKWBBAZ-LUKYLMHMSA-N	0	3	308.466	2.594	20	30		DFEDHN
C#CCC(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1	ZINC000364071382	333233653	/nfs/dbraw/zinc/23/36/53/333233653.db2.gz	YYQNAHDSFICPJA-UHFFFAOYSA-N	0	3	315.417	2.543	20	30		DFEDHN
CC(C)c1cccc2c1CCN(CCC(=O)N(C)CCC#N)C2	ZINC000191891569	333283567	/nfs/dbraw/zinc/28/35/67/333283567.db2.gz	VRISIDFUCDGLRM-UHFFFAOYSA-N	0	3	313.445	2.930	20	30		DFEDHN
C=CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)F)cc1OC	ZINC000295103890	335132576	/nfs/dbraw/zinc/13/25/76/335132576.db2.gz	TZZDHEDSCYNZJR-DOMZBBRYSA-N	0	3	315.360	2.754	20	30		DFEDHN
C=CCC1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CCC1	ZINC000364510400	333324631	/nfs/dbraw/zinc/32/46/31/333324631.db2.gz	KNZQQXWDHCOMCE-IRXDYDNUSA-N	0	3	313.445	2.937	20	30		DFEDHN
C=CC1CCN(CC(=O)N(C)Cc2cccc(OC)c2)CC1	ZINC000111258834	333328120	/nfs/dbraw/zinc/32/81/20/333328120.db2.gz	HGKYXZHPXFYVNP-UHFFFAOYSA-N	0	3	302.418	2.552	20	30		DFEDHN
C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000111258080	333328287	/nfs/dbraw/zinc/32/82/87/333328287.db2.gz	UYUZXNCPGZXWFE-RHSMWYFYSA-N	0	3	314.429	2.913	20	30		DFEDHN
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H]1CCOC1(C)C	ZINC000295242803	335134272	/nfs/dbraw/zinc/13/42/72/335134272.db2.gz	PNKLXEZNWKVSJR-HIFRSBDPSA-N	0	3	322.474	2.808	20	30		DFEDHN
C#CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCCCC1	ZINC000365067801	333354611	/nfs/dbraw/zinc/35/46/11/333354611.db2.gz	DMVGNEBHEXKYKJ-DLBZAZTESA-N	0	3	302.462	2.903	20	30		DFEDHN
C=CCOc1ccc(CC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1	ZINC000295992851	335139443	/nfs/dbraw/zinc/13/94/43/335139443.db2.gz	XFPVRJWUZRLLQN-MAUKXSAKSA-N	0	3	316.445	2.593	20	30		DFEDHN
CC[C@H](CO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000295834837	335139929	/nfs/dbraw/zinc/13/99/29/335139929.db2.gz	ZAQBDTVRMZMQFM-CYBMUJFWSA-N	0	3	301.308	2.639	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1OC(F)F	ZINC000337430804	333448999	/nfs/dbraw/zinc/44/89/99/333448999.db2.gz	UXLONEHJRFSPOK-BFHYXJOUSA-N	0	3	316.392	2.716	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@H]2CCCC(F)(F)C2)CC1	ZINC000337493342	333450197	/nfs/dbraw/zinc/45/01/97/333450197.db2.gz	PEFZEONWDMHWCP-ZDUSSCGKSA-N	0	3	300.393	2.969	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCC2	ZINC000296265763	335142807	/nfs/dbraw/zinc/14/28/07/335142807.db2.gz	OHHHSCRZKCWAMM-ARFHVFGLSA-N	0	3	306.450	2.513	20	30		DFEDHN
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(CC2CC2)CC1	ZINC000338843208	333499919	/nfs/dbraw/zinc/49/99/19/333499919.db2.gz	RTPSIYNACVWQKH-HNNXBMFYSA-N	0	3	317.481	2.900	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)c(CC)o1	ZINC000338956120	333503434	/nfs/dbraw/zinc/50/34/34/333503434.db2.gz	JFXXWMPHRLBGLH-WBMJQRKESA-N	0	3	307.390	2.699	20	30		DFEDHN
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCOCCC#N	ZINC000339084685	333508349	/nfs/dbraw/zinc/50/83/49/333508349.db2.gz	MKFJVIHJCNMZGT-SNVBAGLBSA-N	0	3	318.343	2.643	20	30		DFEDHN
C=C(C)[C@@H](CC(=O)NCc1ccc(CN(C)C)cc1)OCC	ZINC000339659030	333530090	/nfs/dbraw/zinc/53/00/90/333530090.db2.gz	WMCWYGSORZHZJF-QGZVFWFLSA-N	0	3	304.434	2.736	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1	ZINC000296836965	335146814	/nfs/dbraw/zinc/14/68/14/335146814.db2.gz	JCNZBJSEKYSPSI-AWEZNQCLSA-N	0	3	321.852	2.998	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](c2ccccc2)C(F)F)CC1	ZINC000296874186	335147085	/nfs/dbraw/zinc/14/70/85/335147085.db2.gz	UKDKXCZDDZGZJS-HNNXBMFYSA-N	0	3	323.387	2.942	20	30		DFEDHN
C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F	ZINC000296975472	335150459	/nfs/dbraw/zinc/15/04/59/335150459.db2.gz	RSJNCAMPFLOVGQ-ZDUSSCGKSA-N	0	3	323.387	2.622	20	30		DFEDHN
CC[C@@H](N[C@H](C)CCC#N)c1ccccc1OCC(=O)N(C)C	ZINC000411456924	333673528	/nfs/dbraw/zinc/67/35/28/333673528.db2.gz	VQKPKMYQHMSRFK-GDBMZVCRSA-N	0	3	317.433	2.887	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@@H]2CCN(C(=O)OCC)C2)cc1	ZINC000186452039	335158117	/nfs/dbraw/zinc/15/81/17/335158117.db2.gz	UXUMCGAMGVTKTB-GOEBONIOSA-N	0	3	316.401	2.580	20	30		DFEDHN
C#CCOc1ccc([C@H](C)N[C@H]2CCN(C(=O)OCC)C2)cc1	ZINC000186452022	335158120	/nfs/dbraw/zinc/15/81/20/335158120.db2.gz	UXUMCGAMGVTKTB-HOCLYGCPSA-N	0	3	316.401	2.580	20	30		DFEDHN
C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2c2ccnn2C)cc1	ZINC000343383844	335161025	/nfs/dbraw/zinc/16/10/25/335161025.db2.gz	IVSBEDJQGAPBJP-AEFFLSMTSA-N	0	3	313.401	2.605	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)CC1	ZINC000413248128	333839968	/nfs/dbraw/zinc/83/99/68/333839968.db2.gz	WMPSDORYGCXYGH-KBXCAEBGSA-N	0	3	323.481	2.530	20	30		DFEDHN
CC[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000413408576	333848332	/nfs/dbraw/zinc/84/83/32/333848332.db2.gz	IGIVLMCFNORTJY-CHWSQXEVSA-N	0	3	313.323	2.726	20	30		DFEDHN
COC[C@H](NCc1ccc(OC)c(OCCCC#N)c1)C1CC1	ZINC000269682417	334003285	/nfs/dbraw/zinc/00/32/85/334003285.db2.gz	RRMIBZSWBSMFNE-INIZCTEOSA-N	0	3	318.417	2.892	20	30		DFEDHN
C=C(C)COc1cc(CN2C[C@H](O)C[C@H](C)C2)ccc1OC	ZINC000414520427	334005889	/nfs/dbraw/zinc/00/58/89/334005889.db2.gz	CXSBTTUOGKUJCH-GOEBONIOSA-N	0	3	305.418	2.853	20	30		DFEDHN
CN(C)Cc1ccc(C(N)=NOCc2cnc(Cl)s2)cc1	ZINC000270482820	334013528	/nfs/dbraw/zinc/01/35/28/334013528.db2.gz	YUTXYKHNGAAOAZ-UHFFFAOYSA-N	0	3	324.837	2.695	20	30		DFEDHN
C[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1nncn1C	ZINC000271095020	334018444	/nfs/dbraw/zinc/01/84/44/334018444.db2.gz	YNXJKKMWTZKNBQ-MXWWQKGMSA-N	0	3	309.417	2.870	20	30		DFEDHN
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(OCC#N)cc1	ZINC000271870346	334027977	/nfs/dbraw/zinc/02/79/77/334027977.db2.gz	MNAYZZBLOUEYJX-WMLDXEAASA-N	0	3	316.401	2.925	20	30		DFEDHN
C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(OCC#N)cc1	ZINC000271887240	334028259	/nfs/dbraw/zinc/02/82/59/334028259.db2.gz	QZFHXFGFQWXULR-MJXNMMHHSA-N	0	3	308.381	2.898	20	30		DFEDHN
C[C@@H](NCCC(C)(C)C#N)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271950549	334028978	/nfs/dbraw/zinc/02/89/78/334028978.db2.gz	AUKFGOOUSXRRTQ-CYBMUJFWSA-N	0	3	323.462	2.527	20	30		DFEDHN
COc1cc(Br)c(CNCCCCC#N)cc1O	ZINC000272401163	334034404	/nfs/dbraw/zinc/03/44/04/334034404.db2.gz	JVHKYPWYXQWDQY-UHFFFAOYSA-N	0	3	313.195	2.947	20	30		DFEDHN
CC1(C#N)CCN(CCC(=O)N2CCc3ccccc3C2)CC1	ZINC000275489335	334071363	/nfs/dbraw/zinc/07/13/63/334071363.db2.gz	SKYBSJNDLYDDBO-UHFFFAOYSA-N	0	3	311.429	2.587	20	30		DFEDHN
CN(CCC#N)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1	ZINC000276109479	334074493	/nfs/dbraw/zinc/07/44/93/334074493.db2.gz	ZYFTUFANCBTHMD-KRWDZBQOSA-N	0	3	301.434	2.629	20	30		DFEDHN
CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1	ZINC000343534317	335175883	/nfs/dbraw/zinc/17/58/83/335175883.db2.gz	ITSYERAORLPQHD-MRXNPFEDSA-N	0	3	300.402	2.916	20	30		DFEDHN
N#C[C@H]1CC[C@@H](N2CCC(NC(=O)Nc3ccccc3)CC2)C1	ZINC000278683335	334099684	/nfs/dbraw/zinc/09/96/84/334099684.db2.gz	RSTWFPVCZMHKBD-WMLDXEAASA-N	0	3	312.417	2.965	20	30		DFEDHN
CSCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1	ZINC000280146340	334114457	/nfs/dbraw/zinc/11/44/57/334114457.db2.gz	WFGXOADZKJPWRQ-INIZCTEOSA-N	0	3	315.442	2.890	20	30		DFEDHN
CSc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1	ZINC000281566717	334126854	/nfs/dbraw/zinc/12/68/54/334126854.db2.gz	YSCJKFMBZKGAQG-CYBMUJFWSA-N	0	3	305.447	2.821	20	30		DFEDHN
N#CCOc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1	ZINC000281661373	334127583	/nfs/dbraw/zinc/12/75/83/334127583.db2.gz	KVYCRSWCKSCZSH-FQEVSTJZSA-N	0	3	322.408	2.903	20	30		DFEDHN
CCCCN(CC(=O)N(CC)CCC#N)Cc1ccccc1O	ZINC000282443893	334134899	/nfs/dbraw/zinc/13/48/99/334134899.db2.gz	LEPJUNTXQVJFFW-UHFFFAOYSA-N	0	3	317.433	2.756	20	30		DFEDHN
COc1ccc([C@H](CN(C)C)N[C@H]2CCC[C@H](C#N)C2)cc1	ZINC000284327031	334143107	/nfs/dbraw/zinc/14/31/07/334143107.db2.gz	KKAXDTOCZAEYAK-ZVZYQTTQSA-N	0	3	301.434	2.970	20	30		DFEDHN
CN1C[C@@H]2[C@@H](CCCN2Cc2ccccc2C(C)(C)C#N)C1=O	ZINC000284793033	334144485	/nfs/dbraw/zinc/14/44/85/334144485.db2.gz	JGGJEBJDZISUKU-NVXWUHKLSA-N	0	3	311.429	2.540	20	30		DFEDHN
CC(C#N)C(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1	ZINC000340230143	334153463	/nfs/dbraw/zinc/15/34/63/334153463.db2.gz	GUHBHXNXQVFABM-SNVBAGLBSA-N	0	3	315.200	2.864	20	30		DFEDHN
C[C@H]1[C@@H](NC(=O)NCCCCC#N)CCN1Cc1ccccc1	ZINC000287395913	334157660	/nfs/dbraw/zinc/15/76/60/334157660.db2.gz	MHAYWXWMOZKPHG-RDJZCZTQSA-N	0	3	314.433	2.642	20	30		DFEDHN
C[C@H](NC(=O)NCCCCC#N)[C@H](c1ccccc1)N(C)C	ZINC000287525299	334157992	/nfs/dbraw/zinc/15/79/92/334157992.db2.gz	VPYOWZCWJHEKJO-GOEBONIOSA-N	0	3	302.422	2.671	20	30		DFEDHN
COC[C@]1(CN[C@@H]2CCC[C@H](C#N)C2)OCCc2ccccc21	ZINC000289745297	334167425	/nfs/dbraw/zinc/16/74/25/334167425.db2.gz	KVVXWJDBFHBFLF-WDYCEAGBSA-N	0	3	314.429	2.773	20	30		DFEDHN
Cc1cnn([C@@H]2CCN(Cc3ccc(N(C)CCC#N)cc3)C2)c1	ZINC000290891067	334175002	/nfs/dbraw/zinc/17/50/02/334175002.db2.gz	LHCMXYMJUOXHCJ-LJQANCHMSA-N	0	3	323.444	2.988	20	30		DFEDHN
CC(C)(C)N1CC[C@@](F)(C(=O)N(CCC#N)Cc2ccco2)C1	ZINC000291573263	334179956	/nfs/dbraw/zinc/17/99/56/334179956.db2.gz	TVPSQLQGSDQESB-KRWDZBQOSA-N	0	3	321.396	2.734	20	30		DFEDHN
CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC#N	ZINC000292009039	334183845	/nfs/dbraw/zinc/18/38/45/334183845.db2.gz	XXQRKIVFUAIJRV-UHFFFAOYSA-N	0	3	307.825	2.924	20	30		DFEDHN
C=CCN(CCC#N)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000292349993	334187099	/nfs/dbraw/zinc/18/70/99/334187099.db2.gz	XIRWDQROBSOLTA-IBGZPJMESA-N	0	3	313.445	2.679	20	30		DFEDHN
N#CCCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000293269843	334196875	/nfs/dbraw/zinc/19/68/75/334196875.db2.gz	LNEDXKOMOFLEQN-LJQANCHMSA-N	0	3	311.429	2.805	20	30		DFEDHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(CC#N)cc1	ZINC000295370106	334222343	/nfs/dbraw/zinc/22/23/43/334222343.db2.gz	GFYLCARVBAFJCM-SFHVURJKSA-N	0	3	313.445	2.993	20	30		DFEDHN
CCO[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)[C@H]1SC	ZINC000298231664	334247343	/nfs/dbraw/zinc/24/73/43/334247343.db2.gz	BHRLJYANKSKMRI-ARFHVFGLSA-N	0	3	306.431	2.588	20	30		DFEDHN
CCN(CC)[C@H](C/N=C/c1ccc(O)c(O)c1O)c1ccco1	ZINC000299278303	334254323	/nfs/dbraw/zinc/25/43/23/334254323.db2.gz	AMQCUOYRRKXXDR-HVOBPNNYSA-N	0	3	318.373	2.898	20	30		DFEDHN
CCOC(=O)[C@](C)(CN[C@H]1CC[C@H](C#N)C1)c1ccccc1	ZINC000443064651	338442764	/nfs/dbraw/zinc/44/27/64/338442764.db2.gz	GPRIHJABKWTJPI-QILLFSRXSA-N	0	3	300.402	2.789	20	30		DFEDHN
C=CCCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000121325951	334343644	/nfs/dbraw/zinc/34/36/44/334343644.db2.gz	LRINDAALOUHCJO-RDJZCZTQSA-N	0	3	322.474	2.535	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2cc(C)sc2C)CC1	ZINC000050029254	334362667	/nfs/dbraw/zinc/36/26/67/334362667.db2.gz	VFVUYFVPOQQBAE-ZDUSSCGKSA-N	0	3	304.459	2.887	20	30		DFEDHN
C=CCNC(=O)CN[C@@H](CC)c1ccc(OC(F)(F)F)cc1	ZINC000353659631	334436288	/nfs/dbraw/zinc/43/62/88/334436288.db2.gz	ZNXDECMHVKQFEE-ZDUSSCGKSA-N	0	3	316.323	2.928	20	30		DFEDHN
C=CCCc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F	ZINC000415678875	334618093	/nfs/dbraw/zinc/61/80/93/334618093.db2.gz	XOAKSYGWOJUQQF-CQSZACIVSA-N	0	3	309.360	2.924	20	30		DFEDHN
CNC(=O)c1cccc(CN[C@@H]2CCC(=O)NC23CCC3)c1	ZINC000328704017	334749729	/nfs/dbraw/zinc/74/97/29/334749729.db2.gz	ONUOZLBPDJYKCD-CQSZACIVSA-N	0	3	301.390	2.752	20	30		DFEDHN
CCN1CCC(NC(=O)c2cc(-c3ccncc3)on2)CC1	ZINC000328960394	334770332	/nfs/dbraw/zinc/77/03/32/334770332.db2.gz	QITIINCTKNMSHN-UHFFFAOYSA-N	0	3	300.362	2.526	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C)c2csc(C)n2)CC1	ZINC000330660999	334796440	/nfs/dbraw/zinc/79/64/40/334796440.db2.gz	YWLAKGYEIVAOOP-NSHDSACASA-N	0	3	308.451	2.667	20	30		DFEDHN
CCCN1CCC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000343627494	335182862	/nfs/dbraw/zinc/18/28/62/335182862.db2.gz	YKPRKRPKQVMCFT-KRWDZBQOSA-N	0	3	311.429	2.846	20	30		DFEDHN
C=C(C)C[C@H](C)C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1	ZINC000343718840	335186371	/nfs/dbraw/zinc/18/63/71/335186371.db2.gz	FKFAMPLCUNADLG-HOCLYGCPSA-N	0	3	320.433	2.529	20	30		DFEDHN
C[C@@H]1[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)CCCN1C	ZINC000343858479	335198124	/nfs/dbraw/zinc/19/81/24/335198124.db2.gz	NATBSXUKDRLXLL-PVAVHDDUSA-N	0	3	314.433	2.813	20	30		DFEDHN
Cc1cc(Br)cn2c(CNCCCC#N)cnc12	ZINC000344317405	335240299	/nfs/dbraw/zinc/24/02/99/335240299.db2.gz	ADOVRUUALLFENM-UHFFFAOYSA-N	0	3	307.195	2.799	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@@H](C(C)C)C(F)(F)F)CC1	ZINC000344392032	335249053	/nfs/dbraw/zinc/24/90/53/335249053.db2.gz	ARHMHEYROXSUAA-LBPRGKRZSA-N	0	3	307.360	2.523	20	30		DFEDHN
Cc1cc(C(C#N)C(=O)c2ccc3nsnc3c2)nc(C)n1	ZINC000344453582	335250076	/nfs/dbraw/zinc/25/00/76/335250076.db2.gz	RPLOWDWRDSIVCP-NSHDSACASA-N	0	3	309.354	2.588	20	30		DFEDHN
C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CCC2)C[C@H](C)C1	ZINC000344766668	335276085	/nfs/dbraw/zinc/27/60/85/335276085.db2.gz	FCKSEDGKXQBXKK-YJBOKZPZSA-N	0	3	308.466	2.548	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2CSc3ccccc32)CC1	ZINC000344797352	335277896	/nfs/dbraw/zinc/27/78/96/335277896.db2.gz	GSUDDVDMADPBIP-HNNXBMFYSA-N	0	3	317.458	2.783	20	30		DFEDHN
N#CC(C(=O)c1cnn(CCF)c1)c1nccc2ccccc21	ZINC000344881519	335282543	/nfs/dbraw/zinc/28/25/43/335282543.db2.gz	MTMOOEAJBPICAN-OAHLLOKOSA-N	0	3	308.316	2.891	20	30		DFEDHN
C=C(C)CS(=O)(=O)N(CCN1CCCCCC1)C1CCC1	ZINC000344893077	335283246	/nfs/dbraw/zinc/28/32/46/335283246.db2.gz	WRIYXAYVDNCNEN-UHFFFAOYSA-N	0	3	314.495	2.623	20	30		DFEDHN
C=CCOc1ccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)cc1	ZINC000345422763	335325087	/nfs/dbraw/zinc/32/50/87/335325087.db2.gz	CBNDIFKTCRRCJT-CQSZACIVSA-N	0	3	317.433	2.533	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	ZINC000345722243	335345649	/nfs/dbraw/zinc/34/56/49/335345649.db2.gz	SZWJDVJTYNAFSP-BZSNNMDCSA-N	0	3	316.445	2.695	20	30		DFEDHN
CC(C)(C#N)CCN1CCN(CCCOCC(F)(F)F)CC1	ZINC000345732000	335346694	/nfs/dbraw/zinc/34/66/94/335346694.db2.gz	JIRWBCVFRZDASS-UHFFFAOYSA-N	0	3	321.387	2.513	20	30		DFEDHN
C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(C)[C@H]1C	ZINC000345756448	335348465	/nfs/dbraw/zinc/34/84/65/335348465.db2.gz	SMEHRKPTUNFINW-HOCLYGCPSA-N	0	3	305.422	2.502	20	30		DFEDHN
Cc1c([C@@H](C)NC(=O)C(C)C#N)cnn1-c1ccc(F)cc1	ZINC000345777798	335350815	/nfs/dbraw/zinc/35/08/15/335350815.db2.gz	KQHFXJKUQFFXLR-WDEREUQCSA-N	0	3	300.337	2.657	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000345793672	335351596	/nfs/dbraw/zinc/35/15/96/335351596.db2.gz	DJQLWCCCZVVINK-TZMCWYRMSA-N	0	3	310.357	2.950	20	30		DFEDHN
CC(C#N)C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1	ZINC000345819692	335353267	/nfs/dbraw/zinc/35/32/67/335353267.db2.gz	SISYVJUGEXJXMI-STQMWFEESA-N	0	3	305.809	2.705	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000346016178	335369932	/nfs/dbraw/zinc/36/99/32/335369932.db2.gz	LRAODEKAFRQSHL-HIEASXQVSA-N	0	3	320.477	2.691	20	30		DFEDHN
Cn1ncc2c1CCC[C@H]2NC(=O)C(C#N)CCc1ccccc1	ZINC000346200536	335389586	/nfs/dbraw/zinc/38/95/86/335389586.db2.gz	RTZJDBQZDURGJB-NVXWUHKLSA-N	0	3	322.412	2.686	20	30		DFEDHN
CCS[C@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1	ZINC000346285570	335392594	/nfs/dbraw/zinc/39/25/94/335392594.db2.gz	UDNZKXCHRIGEIJ-KBPBESRZSA-N	0	3	309.479	2.545	20	30		DFEDHN
C=CCn1cccc1-c1nc(CC2=N[C@H]3CCCC[C@@H]3N2)no1	ZINC000346937299	335455762	/nfs/dbraw/zinc/45/57/62/335455762.db2.gz	LJNQAENNNMCBOC-STQMWFEESA-N	0	3	311.389	2.580	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccon1)C(C)C	ZINC000347789850	335525402	/nfs/dbraw/zinc/52/54/02/335525402.db2.gz	DQBSWLVFSPOZHA-ZBFHGGJFSA-N	0	3	320.437	2.733	20	30		DFEDHN
C=CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2F)CC1	ZINC000348153227	335558034	/nfs/dbraw/zinc/55/80/34/335558034.db2.gz	WNWNVGZCUMIBDL-AWEZNQCLSA-N	0	3	304.409	2.771	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1	ZINC000104423677	335655602	/nfs/dbraw/zinc/65/56/02/335655602.db2.gz	JDXVINJUZURYKE-LJQANCHMSA-N	0	3	310.441	2.989	20	30		DFEDHN
C=CCOc1ccc(CN2CCC(C(=O)NCCC)CC2)cc1	ZINC000349975471	335715587	/nfs/dbraw/zinc/71/55/87/335715587.db2.gz	SOJAIOFNBYWEQE-UHFFFAOYSA-N	0	3	316.445	2.990	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)[C@](C)(OC)c2ccccc2)CC1	ZINC000106774840	335805651	/nfs/dbraw/zinc/80/56/51/335805651.db2.gz	NYPJPMSFGFWTPR-LJQANCHMSA-N	0	3	316.445	2.705	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1	ZINC000108708987	335843933	/nfs/dbraw/zinc/84/39/33/335843933.db2.gz	YAGPCMZFDNIAOT-AWEZNQCLSA-N	0	3	310.397	2.955	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)NC1(C2CC2)CC1)C(C)C	ZINC000532134820	335905005	/nfs/dbraw/zinc/90/50/05/335905005.db2.gz	CTCQOFHWGXCANB-INIZCTEOSA-N	0	3	305.466	2.927	20	30		DFEDHN
C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C(=O)N1CCCC[C@H]1C	ZINC000329500779	335985296	/nfs/dbraw/zinc/98/52/96/335985296.db2.gz	HJTVLHYUCYJYMQ-YCPHGPKFSA-N	0	3	321.465	2.607	20	30		DFEDHN
C=CC[C@H](CO)NCc1ccc(OCC(F)(F)F)c(OC)c1	ZINC000351591378	336048022	/nfs/dbraw/zinc/04/80/22/336048022.db2.gz	DLWKYQXFISBRMW-GFCCVEGCSA-N	0	3	319.323	2.663	20	30		DFEDHN
C[C@@H](CCC#N)N1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000351617069	336050936	/nfs/dbraw/zinc/05/09/36/336050936.db2.gz	WNGJMZIDXQSDDP-GJZGRUSLSA-N	0	3	301.438	2.876	20	30		DFEDHN
C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CCC#N	ZINC000351807544	336069485	/nfs/dbraw/zinc/06/94/85/336069485.db2.gz	JYRGWGSOUMHASU-CABCVRRESA-N	0	3	308.470	2.736	20	30		DFEDHN
Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCCCS1	ZINC000329748732	336076874	/nfs/dbraw/zinc/07/68/74/336076874.db2.gz	GZXAVMGRUWNJPX-LSDHHAIUSA-N	0	3	322.478	2.856	20	30		DFEDHN
Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C2	ZINC000329789467	336082104	/nfs/dbraw/zinc/08/21/04/336082104.db2.gz	SLHAENRFZHIMIK-LZWOXQAQSA-N	0	3	318.465	2.831	20	30		DFEDHN
C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000329865908	336090472	/nfs/dbraw/zinc/09/04/72/336090472.db2.gz	AQLNWEMDIMWEIZ-ZNMIVQPWSA-N	0	3	315.417	2.621	20	30		DFEDHN
O=C(NC1CCN(C2CC2)CC1)c1coc(C2CCOCC2)n1	ZINC000329920398	336095581	/nfs/dbraw/zinc/09/55/81/336095581.db2.gz	DXZQRLULSXLOSL-UHFFFAOYSA-N	0	3	319.405	2.500	20	30		DFEDHN
[O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000329969143	336100952	/nfs/dbraw/zinc/10/09/52/336100952.db2.gz	WKVNEIXUALMBSE-CAOSSQGBSA-N	0	3	316.449	2.918	20	30		DFEDHN
COC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCC(C)CC1	ZINC000329976996	336101811	/nfs/dbraw/zinc/10/18/11/336101811.db2.gz	ZFONDJVKNKVKSV-DHCNJQPXSA-N	0	3	323.481	2.568	20	30		DFEDHN
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H](c2nc[nH]n2)C1	ZINC000330148044	336118125	/nfs/dbraw/zinc/11/81/25/336118125.db2.gz	UMLIXSQIPZVJBG-RDBSUJKOSA-N	0	3	305.426	2.519	20	30		DFEDHN
C[C@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N1CCC(C)CC1	ZINC000330176860	336120900	/nfs/dbraw/zinc/12/09/00/336120900.db2.gz	COEXTFQODUCRBR-HZPDHXFCSA-N	0	3	323.481	2.712	20	30		DFEDHN
O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@H](C1CC1)N1CCCC1	ZINC000330284509	336133475	/nfs/dbraw/zinc/13/34/75/336133475.db2.gz	XOTADRRJRGLSIS-PBHICJAKSA-N	0	3	300.402	2.690	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000331696001	336144870	/nfs/dbraw/zinc/14/48/70/336144870.db2.gz	WMOQAUMMJPHAJV-OKZBNKHCSA-N	0	3	312.413	2.929	20	30		DFEDHN
C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1CCCCCC1	ZINC000331983705	336154867	/nfs/dbraw/zinc/15/48/67/336154867.db2.gz	LNNZMOBIVMGXKE-CJNGLKHVSA-N	0	3	303.381	2.771	20	30		DFEDHN
C=CCN1CCC(NC(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)CC1	ZINC000332470852	336172313	/nfs/dbraw/zinc/17/23/13/336172313.db2.gz	NFAOYKGWODLXEX-HOTGVXAUSA-N	0	3	323.481	2.528	20	30		DFEDHN
C=CCN(CC1CCCCC1)C(=O)CCN1CCN(CC)CC1	ZINC000351923529	336178904	/nfs/dbraw/zinc/17/89/04/336178904.db2.gz	XNZSWDNLFYOBLT-UHFFFAOYSA-N	0	3	321.509	2.609	20	30		DFEDHN
C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000333251967	336200388	/nfs/dbraw/zinc/20/03/88/336200388.db2.gz	YPRKUKNWAXQUGQ-CYJAXWMASA-N	0	3	317.477	2.943	20	30		DFEDHN
N#CC1CCC(CNC(=O)Nc2ccc3c(c2)CNCC3)CC1	ZINC000333394182	336203001	/nfs/dbraw/zinc/20/30/01/336203001.db2.gz	XXKXTHKEKXMYFK-UHFFFAOYSA-N	0	3	312.417	2.784	20	30		DFEDHN
N#CC1(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)CCC1	ZINC000526136031	336231510	/nfs/dbraw/zinc/23/15/10/336231510.db2.gz	NOQOQONFVTXBEV-QGZVFWFLSA-N	0	3	311.429	2.646	20	30		DFEDHN
CC[C@H](Cc1ccccc1)N(CC)CC(=O)NC1(C#N)CCC1	ZINC000525893770	336382690	/nfs/dbraw/zinc/38/26/90/336382690.db2.gz	PQIHAVLFZPTYKP-QGZVFWFLSA-N	0	3	313.445	2.892	20	30		DFEDHN
C=C(C)[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(F)c(F)c1	ZINC000418030113	336393145	/nfs/dbraw/zinc/39/31/45/336393145.db2.gz	MEJRNLJFUTXLAR-HSMVNMDESA-N	0	3	323.387	2.974	20	30		DFEDHN
C=CCNC(=O)c1ccc(NCCN(C)Cc2ccccc2)nc1	ZINC000112553492	336399470	/nfs/dbraw/zinc/39/94/70/336399470.db2.gz	HLDGAMSXQCJMTE-UHFFFAOYSA-N	0	3	324.428	2.541	20	30		DFEDHN
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC(C)(C)C#N)N(C)C	ZINC000355084898	336494131	/nfs/dbraw/zinc/49/41/31/336494131.db2.gz	PJBYQUFRAUHVQZ-GDBMZVCRSA-N	0	3	316.449	2.835	20	30		DFEDHN
CC(C)(CNC(=O)N1CCC(C)(C#N)CC1)N1CCCCC1	ZINC000355788287	336522242	/nfs/dbraw/zinc/52/22/42/336522242.db2.gz	QEWRWAIFXGZRGF-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1	ZINC000359534084	336676560	/nfs/dbraw/zinc/67/65/60/336676560.db2.gz	BFKGLLWMMXCWET-JKQORVJESA-N	0	3	320.433	2.806	20	30		DFEDHN
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC(C)C)C1(C)C	ZINC000361551407	336762140	/nfs/dbraw/zinc/76/21/40/336762140.db2.gz	PEMSNLMGPMFPIK-ARFHVFGLSA-N	0	3	308.466	2.757	20	30		DFEDHN
CC(C)(C#N)CCCCN1CCC(N2CCCNC2=O)CC1	ZINC000368437962	336844711	/nfs/dbraw/zinc/84/47/11/336844711.db2.gz	IJZNFHHQEWDFOB-UHFFFAOYSA-N	0	3	306.454	2.586	20	30		DFEDHN
C#CCOc1ccc(CNCc2ccc(-n3ccnc3)nc2)cc1	ZINC000369286952	336861735	/nfs/dbraw/zinc/86/17/35/336861735.db2.gz	DLGBSBXYROPKHE-UHFFFAOYSA-N	0	3	318.380	2.569	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1	ZINC000371550835	336907697	/nfs/dbraw/zinc/90/76/97/336907697.db2.gz	DERRTVSJOOGWPD-IEBWSBKVSA-N	0	3	314.429	2.554	20	30		DFEDHN
CN(CCC#N)C(=O)CCN[C@@H](c1ccccn1)C1CCCC1	ZINC000371550582	336907699	/nfs/dbraw/zinc/90/76/99/336907699.db2.gz	CWDMZIGIIIMANS-GOSISDBHSA-N	0	3	314.433	2.665	20	30		DFEDHN
C=CCN1CC[C@@H](N[C@H](C)c2ccc(-c3cncnc3)cc2)C1=O	ZINC000375638759	337015391	/nfs/dbraw/zinc/01/53/91/337015391.db2.gz	JDKDZOFGHLKEQK-RDTXWAMCSA-N	0	3	322.412	2.581	20	30		DFEDHN
N#CCCCNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000376361269	337031986	/nfs/dbraw/zinc/03/19/86/337031986.db2.gz	RZGVFELOVGPQBZ-UHFFFAOYSA-N	0	3	320.462	2.563	20	30		DFEDHN
C=CCC[C@H](O)CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1	ZINC000305722939	337034187	/nfs/dbraw/zinc/03/41/87/337034187.db2.gz	KNQDQQVPCXTIRR-JKSUJKDBSA-N	0	3	312.417	2.936	20	30		DFEDHN
C#CCC(CC#C)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000376915357	337043635	/nfs/dbraw/zinc/04/36/35/337043635.db2.gz	NTRJZCMADZTYOU-SFHVURJKSA-N	0	3	322.452	2.772	20	30		DFEDHN
C=CCOc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1OC	ZINC000378315041	337069682	/nfs/dbraw/zinc/06/96/82/337069682.db2.gz	OMGPIGNBXPAJRZ-MAUKXSAKSA-N	0	3	303.402	2.917	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(CCC)C[C@@H]2CCCCO2)CC1	ZINC000171741285	337089092	/nfs/dbraw/zinc/08/90/92/337089092.db2.gz	SMRJHQDWSYNLRS-KRWDZBQOSA-N	0	3	323.481	2.628	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCC(C)(F)F)C(C)C	ZINC000582469631	337094340	/nfs/dbraw/zinc/09/43/40/337094340.db2.gz	OEYPJSRTXFCAFE-CYBMUJFWSA-N	0	3	303.397	2.639	20	30		DFEDHN
C#CCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1	ZINC000172939316	337132555	/nfs/dbraw/zinc/13/25/55/337132555.db2.gz	PMCUCMPAXVARFR-INIZCTEOSA-N	0	3	302.393	2.567	20	30		DFEDHN
C=CCOCCCC(=O)N1CCN(C2CCC(C)CC2)CC1	ZINC000173497037	337135501	/nfs/dbraw/zinc/13/55/01/337135501.db2.gz	ITKSIRGWLQJREX-UHFFFAOYSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=C(Cl)CN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000175797471	337149183	/nfs/dbraw/zinc/14/91/83/337149183.db2.gz	RVAIPUJPGKYABC-GJZGRUSLSA-N	0	3	300.874	2.950	20	30		DFEDHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(SCC#N)c1	ZINC000176051859	337150211	/nfs/dbraw/zinc/15/02/11/337150211.db2.gz	INTJZHAOSBUGMU-DZGCQCFKSA-N	0	3	315.442	2.611	20	30		DFEDHN
C=CCN1CCC(NC(=O)c2sc([C@@H](C)OC)nc2C)CC1	ZINC000176523206	337151970	/nfs/dbraw/zinc/15/19/70/337151970.db2.gz	RKRPMQKWMXIVFK-GFCCVEGCSA-N	0	3	323.462	2.539	20	30		DFEDHN
C=CCN(CC=C)C(=O)CN[C@H](C)c1ccccc1-n1cccn1	ZINC000183138182	337190121	/nfs/dbraw/zinc/19/01/21/337190121.db2.gz	GBVJOLCAWCSDMS-MRXNPFEDSA-N	0	3	324.428	2.724	20	30		DFEDHN
C=CC[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1	ZINC000184288202	337197645	/nfs/dbraw/zinc/19/76/45/337197645.db2.gz	LSGBFNUPRIIKAE-NSHDSACASA-N	0	3	307.287	2.793	20	30		DFEDHN
C=C(C)CN(C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1	ZINC000184888745	337200726	/nfs/dbraw/zinc/20/07/26/337200726.db2.gz	JMWHEJURPLFWMC-UHFFFAOYSA-N	0	3	316.449	2.868	20	30		DFEDHN
C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1-c1ccco1	ZINC000187676262	337269076	/nfs/dbraw/zinc/26/90/76/337269076.db2.gz	UEPGCGDIMWSAMS-GFCCVEGCSA-N	0	3	304.419	2.768	20	30		DFEDHN
C=CCC[C@@H](CO)NCc1ccc(OC)c(OC(F)F)c1	ZINC000321494752	337271501	/nfs/dbraw/zinc/27/15/01/337271501.db2.gz	TXRSAFYZVIFGGO-LBPRGKRZSA-N	0	3	301.333	2.713	20	30		DFEDHN
N#CC(C(=O)c1ccc2c(c1)OCO2)c1cnc2ccccc2n1	ZINC000190926272	337291482	/nfs/dbraw/zinc/29/14/82/337291482.db2.gz	LNJFSBLFICTKBN-GFCCVEGCSA-N	0	3	317.304	2.849	20	30		DFEDHN
C=CCN(CCOC)CCC(=O)Nc1ccccc1SC	ZINC000191089633	337293616	/nfs/dbraw/zinc/29/36/16/337293616.db2.gz	WDVAAOWHLYJRTI-UHFFFAOYSA-N	0	3	308.447	2.872	20	30		DFEDHN
C=CCN(CCOC)CCC(=O)N[C@H]1CCCc2ccccc21	ZINC000191085772	337293756	/nfs/dbraw/zinc/29/37/56/337293756.db2.gz	UCJSQCZTJAUCPQ-SFHVURJKSA-N	0	3	316.445	2.705	20	30		DFEDHN
C=CCN(CCOC)C[C@H](O)Cc1ccccc1C(F)(F)F	ZINC000191122324	337294201	/nfs/dbraw/zinc/29/42/01/337294201.db2.gz	QTBIBWRAMSAKQJ-CQSZACIVSA-N	0	3	317.351	2.743	20	30		DFEDHN
COc1ccnc(NC2CCN(CC(C)(C)CCC#N)CC2)n1	ZINC000191690568	337300559	/nfs/dbraw/zinc/30/05/59/337300559.db2.gz	DQQCSRPFMXUKLT-UHFFFAOYSA-N	0	3	317.437	2.691	20	30		DFEDHN
C[C@H](NCC#Cc1ccccc1)c1ccc(-n2cncn2)cc1	ZINC000192148166	337303359	/nfs/dbraw/zinc/30/33/59/337303359.db2.gz	KMIZFCSZCHTHGS-INIZCTEOSA-N	0	3	302.381	2.970	20	30		DFEDHN
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C2CC2)C1	ZINC000332899480	337396417	/nfs/dbraw/zinc/39/64/17/337396417.db2.gz	QJLQJKVIDWCNCO-HOCLYGCPSA-N	0	3	303.450	2.840	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)NCc1ccccn1)C(C)C	ZINC000123634299	337400183	/nfs/dbraw/zinc/40/01/83/337400183.db2.gz	JFHRLHZODHQVIO-QGZVFWFLSA-N	0	3	316.449	2.579	20	30		DFEDHN
C[C@@H](C#N)Oc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1	ZINC000135893833	337453157	/nfs/dbraw/zinc/45/31/57/337453157.db2.gz	OIGWBOYKYOSTTD-YWZLYKJASA-N	0	3	322.408	2.901	20	30		DFEDHN
COc1ccc(N(C(=O)[C@@H](N)CCCC#N)[C@@H](C)C2CC2)cc1	ZINC000424115155	337741453	/nfs/dbraw/zinc/74/14/53/337741453.db2.gz	UIAABBDPDDRLOD-GUYCJALGSA-N	0	3	315.417	2.848	20	30		DFEDHN
N#CCCC[C@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1	ZINC000424128947	337749871	/nfs/dbraw/zinc/74/98/71/337749871.db2.gz	FRHLMUCHKNATLB-KRWDZBQOSA-N	0	3	324.384	2.620	20	30		DFEDHN
CCC(CC)(CNC(=O)[C@H](N)CCCC#N)c1ccccc1	ZINC000424131667	337750929	/nfs/dbraw/zinc/75/09/29/337750929.db2.gz	WRGHJCFRJJRFSV-MRXNPFEDSA-N	0	3	301.434	2.882	20	30		DFEDHN
N#CCCC[C@@H](N)C(=O)N1CCc2cc(-c3ccccc3)oc2C1	ZINC000424147063	337773277	/nfs/dbraw/zinc/77/32/77/337773277.db2.gz	CEYSOKCSNIYFKP-MRXNPFEDSA-N	0	3	323.396	2.852	20	30		DFEDHN
Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H](N)CCCC#N	ZINC000424178989	337799640	/nfs/dbraw/zinc/79/96/40/337799640.db2.gz	XXTAOWYCZIHCRP-KRWDZBQOSA-N	0	3	322.412	2.941	20	30		DFEDHN
COc1ccccc1-c1ncc(CN[C@@H]2CC[C@H](C#N)C2)cn1	ZINC000424204607	337809282	/nfs/dbraw/zinc/80/92/82/337809282.db2.gz	UAMWIDGGAPRUOX-DZGCQCFKSA-N	0	3	308.385	2.934	20	30		DFEDHN
C=CCn1cc(CN[C@@H](C)CCc2c(F)cccc2F)nn1	ZINC000424296775	337816990	/nfs/dbraw/zinc/81/69/90/337816990.db2.gz	PIVBUJJQASFGPC-LBPRGKRZSA-N	0	3	306.360	2.853	20	30		DFEDHN
C=CCn1cc(CN[C@H](C)CCc2ccc(OC)cc2)nn1	ZINC000424299505	337817328	/nfs/dbraw/zinc/81/73/28/337817328.db2.gz	VKYUYDYZZCUIHX-CQSZACIVSA-N	0	3	300.406	2.584	20	30		DFEDHN
C=CCC1(C(=O)NC2CCN(CC(=C)C)CC2)CCOCC1	ZINC000424647050	337942621	/nfs/dbraw/zinc/94/26/21/337942621.db2.gz	KCMOPWLGCKVCCU-UHFFFAOYSA-N	0	3	306.450	2.516	20	30		DFEDHN
C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC(C)(C)O1)C(C)C	ZINC000426421768	338031807	/nfs/dbraw/zinc/03/18/07/338031807.db2.gz	SRTVSYYPADFRDZ-JKSUJKDBSA-N	0	3	308.466	2.759	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CSc2ccc(Br)cc21	ZINC000428193619	338042084	/nfs/dbraw/zinc/04/20/84/338042084.db2.gz	BXIPMVVXYZUYMZ-OIBJUYFYSA-N	0	3	311.204	2.872	20	30		DFEDHN
CC(C#N)C(=O)N[C@@H]1CSc2ccc(Br)cc21	ZINC000428193618	338042135	/nfs/dbraw/zinc/04/21/35/338042135.db2.gz	BXIPMVVXYZUYMZ-GMSGAONNSA-N	0	3	311.204	2.872	20	30		DFEDHN
CO[C@@](C)(CNC(=O)C(C#N)CCc1ccccc1)C1CC1	ZINC000428269433	338045028	/nfs/dbraw/zinc/04/50/28/338045028.db2.gz	QAUSLJQGKINZCO-YJBOKZPZSA-N	0	3	300.402	2.690	20	30		DFEDHN
C=C(C)COc1cc(CN2CC[C@@](O)(CC)C2)ccc1OC	ZINC000428436782	338051320	/nfs/dbraw/zinc/05/13/20/338051320.db2.gz	RFKBQINUKNUMJD-SFHVURJKSA-N	0	3	305.418	2.997	20	30		DFEDHN
C=CCOc1ccccc1CNC1CCN(c2cccnn2)CC1	ZINC000428564855	338056348	/nfs/dbraw/zinc/05/63/48/338056348.db2.gz	YSALLHNRNXQYSU-UHFFFAOYSA-N	0	3	324.428	2.800	20	30		DFEDHN
C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)cc(C)c1	ZINC000429728160	338088702	/nfs/dbraw/zinc/08/87/02/338088702.db2.gz	YJDYCFUZTVDOBC-UHFFFAOYSA-N	0	3	303.450	2.682	20	30		DFEDHN
COc1cccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)c1	ZINC000430741581	338113135	/nfs/dbraw/zinc/11/31/35/338113135.db2.gz	MLVCZCYQWOXVJS-ZDUSSCGKSA-N	0	3	301.390	2.696	20	30		DFEDHN
CN1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000431292828	338127546	/nfs/dbraw/zinc/12/75/46/338127546.db2.gz	CURNHHNTMSNZKU-KRWDZBQOSA-N	0	3	314.433	2.815	20	30		DFEDHN
C[C@](C#N)(NC(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1	ZINC000433018510	338176465	/nfs/dbraw/zinc/17/64/65/338176465.db2.gz	ICBANXKHFSBBSH-IEBWSBKVSA-N	0	3	324.428	2.820	20	30		DFEDHN
CCOc1ncccc1CNC(=O)C(C#N)CCc1ccccc1	ZINC000433218998	338186330	/nfs/dbraw/zinc/18/63/30/338186330.db2.gz	IIYCNIDMIVPHBC-MRXNPFEDSA-N	0	3	323.396	2.869	20	30		DFEDHN
Cn1cc([C@@H]2CCCN2C(=O)C(C#N)CCc2ccccc2)cn1	ZINC000433341946	338193435	/nfs/dbraw/zinc/19/34/35/338193435.db2.gz	HSDUEFVXHIOCRM-AEFFLSMTSA-N	0	3	322.412	2.856	20	30		DFEDHN
N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCCC1	ZINC000433346343	338193585	/nfs/dbraw/zinc/19/35/85/338193585.db2.gz	DNZIYRUGENUJJV-INIZCTEOSA-N	0	3	300.402	2.570	20	30		DFEDHN
CC(=O)N(C[C@@H]1CCCN1Cc1ccc(CC#N)cc1)C1CC1	ZINC000434751349	338224808	/nfs/dbraw/zinc/22/48/08/338224808.db2.gz	DZLFGAMWNDHOHA-IBGZPJMESA-N	0	3	311.429	2.728	20	30		DFEDHN
C=C(C)CS(=O)(=O)N(CCN(CC)CC)Cc1ccccc1	ZINC000435434408	338240091	/nfs/dbraw/zinc/24/00/91/338240091.db2.gz	XRZUREMFKGHEJD-UHFFFAOYSA-N	0	3	324.490	2.736	20	30		DFEDHN
C=CCc1ccc(OC[C@H](O)CN2CCC=C(C)C2)c(OC)c1	ZINC000436263814	338264362	/nfs/dbraw/zinc/26/43/62/338264362.db2.gz	OTOBEQZQYMBCJY-QGZVFWFLSA-N	0	3	317.429	2.815	20	30		DFEDHN
C=CCOc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1	ZINC000155655215	338300019	/nfs/dbraw/zinc/30/00/19/338300019.db2.gz	JIAICWCZHHBKEY-KRWDZBQOSA-N	0	3	302.418	2.600	20	30		DFEDHN
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCN1[C@H](C)CCC[C@H]1C	ZINC000437730899	338319665	/nfs/dbraw/zinc/31/96/65/338319665.db2.gz	SVQCQXNUTKFECO-VQHPVUNQSA-N	0	3	323.481	2.530	20	30		DFEDHN
C=CCN1CCC(NC(=O)Nc2ccc(COCC)cc2)CC1	ZINC000438851216	338353925	/nfs/dbraw/zinc/35/39/25/338353925.db2.gz	XGDOGWZMGLZAEI-UHFFFAOYSA-N	0	3	317.433	2.995	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(CC)CC	ZINC000448641272	338393994	/nfs/dbraw/zinc/39/39/94/338393994.db2.gz	XBBZKGFFCVLAJE-KURKYZTESA-N	0	3	316.445	2.777	20	30		DFEDHN
C=C[C@](C)(CC)C(=O)N1CC[C@H](OCCN2CCCCC2)C1	ZINC000442644352	338426652	/nfs/dbraw/zinc/42/66/52/338426652.db2.gz	CBQDRCAIBGVWRU-FUHWJXTLSA-N	0	3	308.466	2.692	20	30		DFEDHN
C=CCOc1ccc(CN[C@]2(CCOC)CCOC2)cc1OC	ZINC000447065953	338544104	/nfs/dbraw/zinc/54/41/04/338544104.db2.gz	CIQXRQWSQQOVTJ-GOSISDBHSA-N	0	3	321.417	2.545	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)c2ncccc2SCC)CC1	ZINC000449846505	338655551	/nfs/dbraw/zinc/65/55/51/338655551.db2.gz	YTZYYBAOYCYSSF-UHFFFAOYSA-N	0	3	319.474	2.964	20	30		DFEDHN
C=CCOCCN[C@@H](CCO)c1cccc(C(F)(F)F)c1	ZINC000451305392	338729001	/nfs/dbraw/zinc/72/90/01/338729001.db2.gz	KFWCUYXLKYEBEU-AWEZNQCLSA-N	0	3	303.324	2.921	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](c1cccs1)C(C)(C)C	ZINC000451607247	338740216	/nfs/dbraw/zinc/74/02/16/338740216.db2.gz	OVGIMZLQIPNLQR-WWGRRREGSA-N	0	3	322.474	2.885	20	30		DFEDHN
C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccc(F)cc2C)C1=O	ZINC000451609809	338740346	/nfs/dbraw/zinc/74/03/46/338740346.db2.gz	WFPMVZMKQHSHRM-VYDXJSESSA-N	0	3	318.392	2.563	20	30		DFEDHN
C=CCC[C@@H](CO)N[C@@H](C)c1ccc(NC(C)=O)cc1OC	ZINC000453339988	338827516	/nfs/dbraw/zinc/82/75/16/338827516.db2.gz	CZPBKXRXQBRVFB-WFASDCNBSA-N	0	3	306.406	2.631	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000454472492	338864552	/nfs/dbraw/zinc/86/45/52/338864552.db2.gz	ABAUHHLUQUYTRP-WCVJEAGWSA-N	0	3	306.454	2.631	20	30		DFEDHN
C=C(CC)CNC(=O)NCC1(N2CCSCC2)CCCC1	ZINC000455529224	338897977	/nfs/dbraw/zinc/89/79/77/338897977.db2.gz	YDXSCFZSFHLVAN-UHFFFAOYSA-N	0	3	311.495	2.613	20	30		DFEDHN
CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000458660540	339002879	/nfs/dbraw/zinc/00/28/79/339002879.db2.gz	VUOCTAXJVNRIPM-LSDHHAIUSA-N	0	3	320.462	2.514	20	30		DFEDHN
C=C(C)CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1	ZINC000458998545	339010727	/nfs/dbraw/zinc/01/07/27/339010727.db2.gz	KXSFFPMNZGQAKE-UHFFFAOYSA-N	0	3	316.449	2.906	20	30		DFEDHN
N#C[C@@H]1CCC[C@@H]1NCCCCCn1nnc(-c2ccccc2)n1	ZINC000459471107	339031155	/nfs/dbraw/zinc/03/11/55/339031155.db2.gz	VBAFFXDBHDCNGY-IRXDYDNUSA-N	0	3	324.432	2.792	20	30		DFEDHN
N#C[C@@H]1CCC[C@H]1NCCCCCn1nnc(-c2ccccc2)n1	ZINC000459471104	339031259	/nfs/dbraw/zinc/03/12/59/339031259.db2.gz	VBAFFXDBHDCNGY-DLBZAZTESA-N	0	3	324.432	2.792	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@H](C)C1(F)F)C(C)C	ZINC000460971936	339056258	/nfs/dbraw/zinc/05/62/58/339056258.db2.gz	GLILNXMWFPHCSF-BFHYXJOUSA-N	0	3	300.393	2.702	20	30		DFEDHN
C=CCC(CC=C)C(=O)NCC1(N(C)C)Cc2ccccc2C1	ZINC000467521364	339240925	/nfs/dbraw/zinc/24/09/25/339240925.db2.gz	IDUJVQHHVFVEKH-UHFFFAOYSA-N	0	3	312.457	2.970	20	30		DFEDHN
C=CCN1CC[C@@H](N(C)C[C@H](C)CCc2ccccc2)C1=O	ZINC000467518118	339240982	/nfs/dbraw/zinc/24/09/82/339240982.db2.gz	JQUMVYVXMBKMHY-SJLPKXTDSA-N	0	3	300.446	2.974	20	30		DFEDHN
C#CCN1CCC(C(=O)Nc2c(C)[nH]nc2-c2ccccc2)CC1	ZINC000491040856	339846682	/nfs/dbraw/zinc/84/66/82/339846682.db2.gz	WOGZIOMJIIVRBC-UHFFFAOYSA-N	0	3	322.412	2.669	20	30		DFEDHN
C#CCN1CCC(C(=O)N[C@@H](C)CCCC(F)(F)F)CC1	ZINC000491819420	339884478	/nfs/dbraw/zinc/88/44/78/339884478.db2.gz	NWWVBNUHUPVWFL-LBPRGKRZSA-N	0	3	304.356	2.569	20	30		DFEDHN
CN(C)CCN(C)C(=O)/C=C\c1cn(CCC#N)c2ccccc12	ZINC000492089713	339891169	/nfs/dbraw/zinc/89/11/69/339891169.db2.gz	XTRIOGOERTUXHA-KTKRTIGZSA-N	0	3	324.428	2.588	20	30		DFEDHN
CC(C#N)C(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1	ZINC000496416801	340004988	/nfs/dbraw/zinc/00/49/88/340004988.db2.gz	JVGKYGVRMUTDLG-HIFRSBDPSA-N	0	3	321.421	2.586	20	30		DFEDHN
C=CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000496639488	340009514	/nfs/dbraw/zinc/00/95/14/340009514.db2.gz	DDTCBINSUNCLEE-INIZCTEOSA-N	0	3	324.465	2.645	20	30		DFEDHN
CC(C)(C)OC(=O)NCC1CCC(NCC2(C#N)CC2)CC1	ZINC000496879495	340015229	/nfs/dbraw/zinc/01/52/29/340015229.db2.gz	BLTXUMIKYMHPHS-UHFFFAOYSA-N	0	3	307.438	2.963	20	30		DFEDHN
COC(=O)[C@]1(C)CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C	ZINC000503230827	340123650	/nfs/dbraw/zinc/12/36/50/340123650.db2.gz	CVENOOFOBVDQMA-CXAGYDPISA-N	0	3	305.805	2.823	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C(F)F)CC1	ZINC000507175610	340211363	/nfs/dbraw/zinc/21/13/63/340211363.db2.gz	FGIKCGZCWAKIRL-AWEZNQCLSA-N	0	3	315.408	2.856	20	30		DFEDHN
C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000507220924	340214138	/nfs/dbraw/zinc/21/41/38/340214138.db2.gz	BSDGERYLCLOAKY-DZKIICNBSA-N	0	3	317.458	2.663	20	30		DFEDHN
C#CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C1CCCC1	ZINC000305037707	340374416	/nfs/dbraw/zinc/37/44/16/340374416.db2.gz	ZGTWFVOSJAZYOB-SFHVURJKSA-N	0	3	315.413	2.507	20	30		DFEDHN
C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]2CCC[C@@H]21)C(C)C	ZINC000523481423	340625973	/nfs/dbraw/zinc/62/59/73/340625973.db2.gz	YWXBTJOIZYLCLB-IXDOHACOSA-N	0	3	305.466	2.879	20	30		DFEDHN
COC[C@@]1(NCc2ccc(CC#N)cc2)COc2ccccc2C1	ZINC000528748999	340732397	/nfs/dbraw/zinc/73/23/97/340732397.db2.gz	RIEGARISHLPHDL-HXUWFJFHSA-N	0	3	322.408	2.863	20	30		DFEDHN
CCOC(=O)COc1ccc(CN2CCC(CC#N)CC2)cc1	ZINC000542852832	341023590	/nfs/dbraw/zinc/02/35/90/341023590.db2.gz	CWCRJYBSXVXNBP-UHFFFAOYSA-N	0	3	316.401	2.754	20	30		DFEDHN
C=C(C)CN1CCC(NC(=O)C2CCC(F)(F)CC2)CC1	ZINC000130893296	341053210	/nfs/dbraw/zinc/05/32/10/341053210.db2.gz	QNNCJFKGQSPASX-UHFFFAOYSA-N	0	3	300.393	2.969	20	30		DFEDHN
C=CCOc1ccc(CN2CCN(C(C)C)CC2)cc1OC	ZINC000131128815	341062324	/nfs/dbraw/zinc/06/23/24/341062324.db2.gz	HRSXQAPQWXCNJW-UHFFFAOYSA-N	0	3	304.434	2.786	20	30		DFEDHN
CC(C)(C#N)CCN1CCc2c(cccc2N2CCOC2=O)C1	ZINC000131725799	341110044	/nfs/dbraw/zinc/11/00/44/341110044.db2.gz	NXGUVUJACQDQSZ-UHFFFAOYSA-N	0	3	313.401	2.941	20	30		DFEDHN
C=CCN1CCC(NC(=O)N(C)[C@@H](C)CCSCC)CC1	ZINC000074132463	341129559	/nfs/dbraw/zinc/12/95/59/341129559.db2.gz	USSZMTDOQSJHBG-AWEZNQCLSA-N	0	3	313.511	2.810	20	30		DFEDHN
C[C@@H](CCNCc1cccc(OCCCC#N)c1)[S@](C)=O	ZINC000133445597	341175384	/nfs/dbraw/zinc/17/53/84/341175384.db2.gz	LFXRUKAORBFVDE-LHSJRXKWSA-N	0	3	308.447	2.616	20	30		DFEDHN
C=CCCCN(C)CC(=O)NCc1cccc(OC(C)C)c1	ZINC000076736474	341213237	/nfs/dbraw/zinc/21/32/37/341213237.db2.gz	GESLEJITIUJXGN-UHFFFAOYSA-N	0	3	304.434	2.988	20	30		DFEDHN
C=C(C)COCCNCc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000134509777	341216744	/nfs/dbraw/zinc/21/67/44/341216744.db2.gz	WHUSPUAGNFCJNB-SFHVURJKSA-N	0	3	305.418	2.927	20	30		DFEDHN
CC[C@@H](CC#N)NC(=O)Nc1cc(CN(C)C)ccc1OC	ZINC000548114329	341247788	/nfs/dbraw/zinc/24/77/88/341247788.db2.gz	JPORJCVMBKAVRM-ZDUSSCGKSA-N	0	3	304.394	2.571	20	30		DFEDHN
C=CCCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000548436906	341260635	/nfs/dbraw/zinc/26/06/35/341260635.db2.gz	ILUSQTSPWIEANJ-KRWDZBQOSA-N	0	3	301.434	2.766	20	30		DFEDHN
C[C@@H]1CCCCN1CCNC(=O)c1cccc(SCC#N)c1	ZINC000079531277	341260726	/nfs/dbraw/zinc/26/07/26/341260726.db2.gz	WNZFBXZWGYPQBP-CQSZACIVSA-N	0	3	317.458	2.906	20	30		DFEDHN
C=C(C)Cn1c(C2CCCC2)nnc1N1CCN2CCC[C@H]2C1	ZINC000549266578	341290032	/nfs/dbraw/zinc/29/00/32/341290032.db2.gz	RRMCTYOJDBNKEN-INIZCTEOSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=C(C)Cn1c(C2CCCC2)nnc1N1CCN2CCC[C@@H]2C1	ZINC000549266581	341290120	/nfs/dbraw/zinc/29/01/20/341290120.db2.gz	RRMCTYOJDBNKEN-MRXNPFEDSA-N	0	3	315.465	2.796	20	30		DFEDHN
C=CCN1CCC(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)CC1	ZINC000246535940	341353235	/nfs/dbraw/zinc/35/32/35/341353235.db2.gz	LNJZXHVHMDRDLD-BFYDXBDKSA-N	0	3	305.466	2.999	20	30		DFEDHN
CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H](N)CCCC#N	ZINC000566092981	341547524	/nfs/dbraw/zinc/54/75/24/341547524.db2.gz	UNTVFMRAGVHXJY-UKRRQHHQSA-N	0	3	303.406	2.672	20	30		DFEDHN
C=CCCCN1CCN(c2ccc(Br)cn2)CC1	ZINC000172175533	341794233	/nfs/dbraw/zinc/79/42/33/341794233.db2.gz	IWBYSSWLMSBNIQ-UHFFFAOYSA-N	0	3	310.239	2.932	20	30		DFEDHN
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000576697244	341858979	/nfs/dbraw/zinc/85/89/79/341858979.db2.gz	VYKNOZMGTLBCEX-RKVPGOIHSA-N	0	3	303.450	2.840	20	30		DFEDHN
C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1ccc(C#N)cc1	ZINC000323766207	533735796	/nfs/dbraw/zinc/73/57/96/533735796.db2.gz	XQWDMFIUSWWWTG-PBHICJAKSA-N	0	3	315.417	2.512	20	30		DFEDHN
C[C@@H]1CN(CCCCNc2c(C#N)cccc2C#N)C[C@@H](C)O1	ZINC000302465427	534462916	/nfs/dbraw/zinc/46/29/16/534462916.db2.gz	SKXDQSQDLBZXMI-HUUCEWRRSA-N	0	3	312.417	2.731	20	30		DFEDHN
Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)nc1	ZINC000338361236	525036841	/nfs/dbraw/zinc/03/68/41/525036841.db2.gz	QKXNWVAAEWUPBC-CQSZACIVSA-N	0	3	308.385	2.941	20	30		DFEDHN
CC(C)(C)[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1O	ZINC000330706072	526731931	/nfs/dbraw/zinc/73/19/31/526731931.db2.gz	LLKMQXADADVATO-IRXDYDNUSA-N	0	3	302.418	2.666	20	30		DFEDHN
Cn1ccnc1-c1cccc(CNCc2cc(C#N)n(C)c2)c1	ZINC000365138792	527421364	/nfs/dbraw/zinc/42/13/64/527421364.db2.gz	PGUVSPDGVZAAQM-UHFFFAOYSA-N	0	3	305.385	2.587	20	30		DFEDHN
CC(C)N1CCN(c2cccc(Nc3nccnc3C#N)c2)CC1	ZINC000301987922	529044957	/nfs/dbraw/zinc/04/49/57/529044957.db2.gz	ZUJDKJAZQJUYEB-UHFFFAOYSA-N	0	3	322.416	2.622	20	30		DFEDHN
CN(C)Cc1ccccc1C(=O)NCc1cc(C#N)ccc1F	ZINC000362863950	536046112	/nfs/dbraw/zinc/04/61/12/536046112.db2.gz	BVSJQIPKMANSTF-UHFFFAOYSA-N	0	3	311.360	2.689	20	30		DFEDHN
C=CC[C@H](CO)NCc1c(C)nn(-c2ccc(F)cc2F)c1C	ZINC000680484873	545501245	/nfs/dbraw/zinc/50/12/45/545501245.db2.gz	PWAXGWCPCXFVLP-CQSZACIVSA-N	0	3	321.371	2.794	20	30		DFEDHN
C=CCCOCc1nc(-c2ccc(OCCN(C)C)cc2)no1	ZINC000680691947	545529791	/nfs/dbraw/zinc/52/97/91/545529791.db2.gz	GJLJRANZUQFBBN-UHFFFAOYSA-N	0	3	317.389	2.770	20	30		DFEDHN
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CO)[C@@H](C)c1ccccc1	ZINC000680987785	545576339	/nfs/dbraw/zinc/57/63/39/545576339.db2.gz	BHWQQUJJUDHEKK-BQFCYCMXSA-N	0	3	318.461	2.554	20	30		DFEDHN
CC#CCCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C	ZINC000681541788	545669799	/nfs/dbraw/zinc/66/97/99/545669799.db2.gz	JULGSDNQUWUMOY-KRWDZBQOSA-N	0	3	313.445	2.706	20	30		DFEDHN
C=C[C@@](C)(CCOC)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1	ZINC000685326202	546342670	/nfs/dbraw/zinc/34/26/70/546342670.db2.gz	RYHHBXLHNHYXFJ-PLTIAYLTSA-N	0	3	305.422	2.890	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1	ZINC000823894439	608285857	/nfs/dbraw/zinc/28/58/57/608285857.db2.gz	QIEHGNAASPIQCZ-CYBMUJFWSA-N	0	3	301.394	2.710	20	30		DFEDHN
C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1	ZINC000823894439	608285858	/nfs/dbraw/zinc/28/58/58/608285858.db2.gz	QIEHGNAASPIQCZ-CYBMUJFWSA-N	0	3	301.394	2.710	20	30		DFEDHN